smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1n1cc[nH+]c1 ZINC000129487919 205198993 /nfs/dbraw/zinc/19/89/93/205198993.db2.gz WUDODYDOEHJYLK-HIFRSBDPSA-N 2 2 331.376 1.536 20 5 EDBDLP C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1n1cc[nH+]c1 ZINC000129487919 205198997 /nfs/dbraw/zinc/19/89/97/205198997.db2.gz WUDODYDOEHJYLK-HIFRSBDPSA-N 2 2 331.376 1.536 20 5 EDBDLP [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C[C@H]12 ZINC000248641118 139169555 /nfs/dbraw/zinc/16/95/55/139169555.db2.gz RHNDIZXGWGGUBL-MELADBBJSA-N 2 2 341.371 1.590 20 5 EDBDLP CN(CC(C)(C)C[NH3+])C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000262589797 139288668 /nfs/dbraw/zinc/28/86/68/139288668.db2.gz RMCNQYHLGGOWOQ-UHFFFAOYSA-N 2 2 331.376 1.837 20 5 EDBDLP C[C@]1(F)C[NH2+]CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000569926357 306525398 /nfs/dbraw/zinc/52/53/98/306525398.db2.gz CJBDMALRIZHYAC-INIZCTEOSA-N 2 2 347.350 1.554 20 5 EDBDLP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000375507474 157591526 /nfs/dbraw/zinc/59/15/26/157591526.db2.gz WSQXDBZBWBKTJK-JDSLSITLSA-N 2 2 343.387 1.999 20 5 EDBDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(OC)c3)C2)CC1 ZINC000352405190 162166325 /nfs/dbraw/zinc/16/63/25/162166325.db2.gz LMWAREAGXLZATN-MRXNPFEDSA-N 2 2 348.447 1.815 20 5 EDBDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(OC)c3)C2)CC1 ZINC000352405190 162166327 /nfs/dbraw/zinc/16/63/27/162166327.db2.gz LMWAREAGXLZATN-MRXNPFEDSA-N 2 2 348.447 1.815 20 5 EDBDLP O=[N+]([O-])c1ccc2oc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)nc2c1 ZINC000352495112 162211116 /nfs/dbraw/zinc/21/11/16/162211116.db2.gz IOQXWUXNROSFCV-CYBMUJFWSA-N 2 2 331.376 1.216 20 5 EDBDLP C[NH+](C)C1CC[NH+](CCNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000263635755 287855707 /nfs/dbraw/zinc/85/57/07/287855707.db2.gz GPUKSQWTXJEBKR-FPLPWBNLSA-N 2 2 346.431 1.750 20 5 EDBDLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430645234 305060983 /nfs/dbraw/zinc/06/09/83/305060983.db2.gz AOWRYNAAPVJPEF-XJKSGUPXSA-N 2 2 332.404 1.632 20 5 EDBDLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430645234 305060984 /nfs/dbraw/zinc/06/09/84/305060984.db2.gz AOWRYNAAPVJPEF-XJKSGUPXSA-N 2 2 332.404 1.632 20 5 EDBDLP CC[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448917610 305304101 /nfs/dbraw/zinc/30/41/01/305304101.db2.gz LAUJFLHXNYLENX-AWEZNQCLSA-N 2 2 343.387 1.995 20 5 EDBDLP CC[N@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448917610 305304102 /nfs/dbraw/zinc/30/41/02/305304102.db2.gz LAUJFLHXNYLENX-AWEZNQCLSA-N 2 2 343.387 1.995 20 5 EDBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459653876 305522061 /nfs/dbraw/zinc/52/20/61/305522061.db2.gz DSDFXMLZCXWGRD-LBPRGKRZSA-N 2 2 331.376 1.878 20 5 EDBDLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000534219666 306004484 /nfs/dbraw/zinc/00/44/84/306004484.db2.gz IVTSRTRHCSWKBZ-UHFFFAOYSA-N 2 2 330.392 1.707 20 5 EDBDLP CC(C)[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000045427710 440983210 /nfs/dbraw/zinc/98/32/10/440983210.db2.gz NKFOJNCJTBXUFQ-UHFFFAOYSA-N 2 2 343.387 1.947 20 5 EDBDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000123334209 441885202 /nfs/dbraw/zinc/88/52/02/441885202.db2.gz HCHKIESEWCFPQD-CZUORRHYSA-N 2 2 334.420 1.972 20 5 EDBDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123334209 441885205 /nfs/dbraw/zinc/88/52/05/441885205.db2.gz HCHKIESEWCFPQD-CZUORRHYSA-N 2 2 334.420 1.972 20 5 EDBDLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000123334209 441885208 /nfs/dbraw/zinc/88/52/08/441885208.db2.gz HCHKIESEWCFPQD-CZUORRHYSA-N 2 2 334.420 1.972 20 5 EDBDLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000123334209 441885213 /nfs/dbraw/zinc/88/52/13/441885213.db2.gz HCHKIESEWCFPQD-CZUORRHYSA-N 2 2 334.420 1.972 20 5 EDBDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000162575686 442105060 /nfs/dbraw/zinc/10/50/60/442105060.db2.gz BDIYYDQDKJEPMU-QGZVFWFLSA-N 2 2 346.431 1.376 20 5 EDBDLP Cc1cc(NC[C@@H](O)C[NH+]2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272887673 443479472 /nfs/dbraw/zinc/47/94/72/443479472.db2.gz XGLGLGVQJQYSJF-CQSZACIVSA-N 2 2 346.387 1.556 20 5 EDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342111283 445177425 /nfs/dbraw/zinc/17/74/25/445177425.db2.gz UJQQTEYERVCIAQ-MJBXVCDLSA-N 2 2 332.404 1.901 20 5 EDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342111283 445177431 /nfs/dbraw/zinc/17/74/31/445177431.db2.gz UJQQTEYERVCIAQ-MJBXVCDLSA-N 2 2 332.404 1.901 20 5 EDBDLP C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C[NH3+] ZINC000420398272 446571798 /nfs/dbraw/zinc/57/17/98/446571798.db2.gz GUZFMGBCNCDDPX-IOASZLSFSA-N 2 2 332.404 1.617 20 5 EDBDLP C[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C[NH3+] ZINC000420398272 446571806 /nfs/dbraw/zinc/57/18/06/446571806.db2.gz GUZFMGBCNCDDPX-IOASZLSFSA-N 2 2 332.404 1.617 20 5 EDBDLP C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C[NH3+] ZINC000420398278 446572092 /nfs/dbraw/zinc/57/20/92/446572092.db2.gz GUZFMGBCNCDDPX-XJKCOSOUSA-N 2 2 332.404 1.617 20 5 EDBDLP C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C[NH3+] ZINC000420398278 446572096 /nfs/dbraw/zinc/57/20/96/446572096.db2.gz GUZFMGBCNCDDPX-XJKCOSOUSA-N 2 2 332.404 1.617 20 5 EDBDLP CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000442776119 446962974 /nfs/dbraw/zinc/96/29/74/446962974.db2.gz BJHRFBZBWGSKMC-VXGBXAGGSA-N 2 2 336.392 1.601 20 5 EDBDLP CCOc1ccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000442776119 446962980 /nfs/dbraw/zinc/96/29/80/446962980.db2.gz BJHRFBZBWGSKMC-VXGBXAGGSA-N 2 2 336.392 1.601 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442780758 446964969 /nfs/dbraw/zinc/96/49/69/446964969.db2.gz LKPHIMPBUFVMLM-GRYCIOLGSA-N 2 2 336.392 1.600 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442780758 446964981 /nfs/dbraw/zinc/96/49/81/446964981.db2.gz LKPHIMPBUFVMLM-GRYCIOLGSA-N 2 2 336.392 1.600 20 5 EDBDLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000422641665 447685015 /nfs/dbraw/zinc/68/50/15/447685015.db2.gz YIWXSMFYVUNPAX-VNHYZAJKSA-N 2 2 346.431 1.789 20 5 EDBDLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000422641665 447685022 /nfs/dbraw/zinc/68/50/22/447685022.db2.gz YIWXSMFYVUNPAX-VNHYZAJKSA-N 2 2 346.431 1.789 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591447904 448366075 /nfs/dbraw/zinc/36/60/75/448366075.db2.gz CSEJJCJUJQHLLR-CZUORRHYSA-N 2 2 332.404 1.916 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591447904 448366078 /nfs/dbraw/zinc/36/60/78/448366078.db2.gz CSEJJCJUJQHLLR-CZUORRHYSA-N 2 2 332.404 1.916 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591448627 448367179 /nfs/dbraw/zinc/36/71/79/448367179.db2.gz KOCUGQIKXAPIKN-DOMZBBRYSA-N 2 2 348.403 1.616 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591448627 448367183 /nfs/dbraw/zinc/36/71/83/448367183.db2.gz KOCUGQIKXAPIKN-DOMZBBRYSA-N 2 2 348.403 1.616 20 5 EDBDLP Cn1cc[nH+]c1[C@H](NC[C@@H]1C[C@H](F)C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591581768 448396190 /nfs/dbraw/zinc/39/61/90/448396190.db2.gz RJFAXBCYFMQYCG-KCQAQPDRSA-N 2 2 333.367 1.707 20 5 EDBDLP O=C1[C@@H]([N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000574812878 448963253 /nfs/dbraw/zinc/96/32/53/448963253.db2.gz KSPNHMHYEIZIGB-WMZOPIPTSA-N 2 2 344.415 1.776 20 5 EDBDLP O=C1[C@@H]([N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000574812878 448963258 /nfs/dbraw/zinc/96/32/58/448963258.db2.gz KSPNHMHYEIZIGB-WMZOPIPTSA-N 2 2 344.415 1.776 20 5 EDBDLP C[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000590631928 449228262 /nfs/dbraw/zinc/22/82/62/449228262.db2.gz IWDNSAZFUWHVRL-ZDUSSCGKSA-N 2 2 329.360 1.605 20 5 EDBDLP C[N@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000590631928 449228264 /nfs/dbraw/zinc/22/82/64/449228264.db2.gz IWDNSAZFUWHVRL-ZDUSSCGKSA-N 2 2 329.360 1.605 20 5 EDBDLP COC(=O)COc1ccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600778278 449544561 /nfs/dbraw/zinc/54/45/61/449544561.db2.gz XORMJITVWNBVGX-WCQYABFASA-N 2 2 337.376 1.377 20 5 EDBDLP Cc1noc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595406336 450118805 /nfs/dbraw/zinc/11/88/05/450118805.db2.gz CBXDMXVKHXLULL-TZMCWYRMSA-N 2 2 337.424 1.349 20 5 EDBDLP Cc1noc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595406336 450118807 /nfs/dbraw/zinc/11/88/07/450118807.db2.gz CBXDMXVKHXLULL-TZMCWYRMSA-N 2 2 337.424 1.349 20 5 EDBDLP C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000742241382 579445052 /nfs/dbraw/zinc/44/50/52/579445052.db2.gz UPOWMWYIRORVGS-CYBMUJFWSA-N 2 2 343.387 1.995 20 5 EDBDLP C[C@@H]1CCC[N@H+]1CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000742241382 579445054 /nfs/dbraw/zinc/44/50/54/579445054.db2.gz UPOWMWYIRORVGS-CYBMUJFWSA-N 2 2 343.387 1.995 20 5 EDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823921149 593887705 /nfs/dbraw/zinc/88/77/05/593887705.db2.gz PEGMDNFOKZJTMB-UHFFFAOYSA-N 2 2 338.412 1.182 20 5 EDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823921149 593887706 /nfs/dbraw/zinc/88/77/06/593887706.db2.gz PEGMDNFOKZJTMB-UHFFFAOYSA-N 2 2 338.412 1.182 20 5 EDBDLP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872032656 596798825 /nfs/dbraw/zinc/79/88/25/596798825.db2.gz XGSDQKFATYJELP-LBPRGKRZSA-N 2 2 338.383 1.549 20 5 EDBDLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183610171 235162487 /nfs/dbraw/zinc/16/24/87/235162487.db2.gz ZZYUAEAEISCVOJ-UHFFFAOYSA-N 2 2 336.396 1.137 20 5 EDBDLP C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000237077155 139039882 /nfs/dbraw/zinc/03/98/82/139039882.db2.gz ILBPSCIKJFIGTQ-CYBMUJFWSA-N 2 2 343.387 1.852 20 5 EDBDLP C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000247295821 139144027 /nfs/dbraw/zinc/14/40/27/139144027.db2.gz FGGGVRFUOQNUQB-BLLLJJGKSA-N 2 2 343.387 1.973 20 5 EDBDLP C[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000247295821 139144028 /nfs/dbraw/zinc/14/40/28/139144028.db2.gz FGGGVRFUOQNUQB-BLLLJJGKSA-N 2 2 343.387 1.973 20 5 EDBDLP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000355745363 150383149 /nfs/dbraw/zinc/38/31/49/150383149.db2.gz ZTXJENOWKIABEU-RHSMWYFYSA-N 2 2 346.431 1.974 20 5 EDBDLP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000355745363 150383151 /nfs/dbraw/zinc/38/31/51/150383151.db2.gz ZTXJENOWKIABEU-RHSMWYFYSA-N 2 2 346.431 1.974 20 5 EDBDLP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000355745363 150383154 /nfs/dbraw/zinc/38/31/54/150383154.db2.gz ZTXJENOWKIABEU-RHSMWYFYSA-N 2 2 346.431 1.974 20 5 EDBDLP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000355745363 150383156 /nfs/dbraw/zinc/38/31/56/150383156.db2.gz ZTXJENOWKIABEU-RHSMWYFYSA-N 2 2 346.431 1.974 20 5 EDBDLP C[NH+]1CCC(CNc2ccncc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000361001014 152275926 /nfs/dbraw/zinc/27/59/26/152275926.db2.gz DOOVYNISFQOPPO-UHFFFAOYSA-N 2 2 333.436 1.774 20 5 EDBDLP O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)n1 ZINC000435615606 305143565 /nfs/dbraw/zinc/14/35/65/305143565.db2.gz IEHDHINTJNHKCD-MRXNPFEDSA-N 2 2 344.419 1.831 20 5 EDBDLP O=[N+]([O-])c1ccn(CC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)n1 ZINC000435615606 305143566 /nfs/dbraw/zinc/14/35/66/305143566.db2.gz IEHDHINTJNHKCD-MRXNPFEDSA-N 2 2 344.419 1.831 20 5 EDBDLP C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448886787 305302791 /nfs/dbraw/zinc/30/27/91/305302791.db2.gz ZIEAUUFSTONZBQ-CQSZACIVSA-N 2 2 343.387 1.947 20 5 EDBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000112921622 441568919 /nfs/dbraw/zinc/56/89/19/441568919.db2.gz VIPDKPMDDYKYEC-UHFFFAOYSA-N 2 2 334.420 1.693 20 5 EDBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000112921622 441568921 /nfs/dbraw/zinc/56/89/21/441568921.db2.gz VIPDKPMDDYKYEC-UHFFFAOYSA-N 2 2 334.420 1.693 20 5 EDBDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000123334937 441884584 /nfs/dbraw/zinc/88/45/84/441884584.db2.gz HCHKIESEWCFPQD-BBRMVZONSA-N 2 2 334.420 1.972 20 5 EDBDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123334937 441884591 /nfs/dbraw/zinc/88/45/91/441884591.db2.gz HCHKIESEWCFPQD-BBRMVZONSA-N 2 2 334.420 1.972 20 5 EDBDLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000123334937 441884592 /nfs/dbraw/zinc/88/45/92/441884592.db2.gz HCHKIESEWCFPQD-BBRMVZONSA-N 2 2 334.420 1.972 20 5 EDBDLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000123334937 441884597 /nfs/dbraw/zinc/88/45/97/441884597.db2.gz HCHKIESEWCFPQD-BBRMVZONSA-N 2 2 334.420 1.972 20 5 EDBDLP C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000194744155 442946714 /nfs/dbraw/zinc/94/67/14/442946714.db2.gz REDJIPPHOLGOIG-ZDUSSCGKSA-N 2 2 329.360 1.605 20 5 EDBDLP C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000194744155 442946717 /nfs/dbraw/zinc/94/67/17/442946717.db2.gz REDJIPPHOLGOIG-ZDUSSCGKSA-N 2 2 329.360 1.605 20 5 EDBDLP COCC[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000564857673 321152095 /nfs/dbraw/zinc/15/20/95/321152095.db2.gz WSKWFWGDZBPWLC-ZDUSSCGKSA-N 2 2 336.392 1.234 20 5 EDBDLP COCC[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000564857673 321152096 /nfs/dbraw/zinc/15/20/96/321152096.db2.gz WSKWFWGDZBPWLC-ZDUSSCGKSA-N 2 2 336.392 1.234 20 5 EDBDLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000285861324 444132101 /nfs/dbraw/zinc/13/21/01/444132101.db2.gz BAXFXDOAMYLZIS-HSMVNMDESA-N 2 2 343.387 1.897 20 5 EDBDLP C[N@H+](C[C@@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000290085690 444240150 /nfs/dbraw/zinc/24/01/50/444240150.db2.gz VKIVPRRYZJHCCE-MRXNPFEDSA-N 2 2 349.431 1.893 20 5 EDBDLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000290085690 444240153 /nfs/dbraw/zinc/24/01/53/444240153.db2.gz VKIVPRRYZJHCCE-MRXNPFEDSA-N 2 2 349.431 1.893 20 5 EDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342091895 445166839 /nfs/dbraw/zinc/16/68/39/445166839.db2.gz DBDCEFSRZARAJW-AEGPPILISA-N 2 2 332.404 1.901 20 5 EDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342091895 445166844 /nfs/dbraw/zinc/16/68/44/445166844.db2.gz DBDCEFSRZARAJW-AEGPPILISA-N 2 2 332.404 1.901 20 5 EDBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000363054135 445663277 /nfs/dbraw/zinc/66/32/77/445663277.db2.gz QKJUUIUGARTIJG-OAHLLOKOSA-N 2 2 346.431 1.422 20 5 EDBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000363054135 445663282 /nfs/dbraw/zinc/66/32/82/445663282.db2.gz QKJUUIUGARTIJG-OAHLLOKOSA-N 2 2 346.431 1.422 20 5 EDBDLP C[C@H]1[NH2+]CCC[C@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000420246048 446429528 /nfs/dbraw/zinc/42/95/28/446429528.db2.gz MQMXDACBKYUVOJ-UKRRQHHQSA-N 2 2 334.420 1.979 20 5 EDBDLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000424288547 446866618 /nfs/dbraw/zinc/86/66/18/446866618.db2.gz KOAVPIOAUIHBMF-ZIAGYGMSSA-N 2 2 327.406 1.228 20 5 EDBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000442758413 446953510 /nfs/dbraw/zinc/95/35/10/446953510.db2.gz AVHFNLIXOQJTJO-ZJUUUORDSA-N 2 2 326.784 1.856 20 5 EDBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000442758413 446953516 /nfs/dbraw/zinc/95/35/16/446953516.db2.gz AVHFNLIXOQJTJO-ZJUUUORDSA-N 2 2 326.784 1.856 20 5 EDBDLP COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC000430563932 447779594 /nfs/dbraw/zinc/77/95/94/447779594.db2.gz KGPMGUNTPZBDRS-LLVKDONJSA-N 2 2 338.408 1.847 20 5 EDBDLP COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC000430563932 447779596 /nfs/dbraw/zinc/77/95/96/447779596.db2.gz KGPMGUNTPZBDRS-LLVKDONJSA-N 2 2 338.408 1.847 20 5 EDBDLP COc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000597989325 449172940 /nfs/dbraw/zinc/17/29/40/449172940.db2.gz CYTPSLZBTZVRPE-UHFFFAOYSA-N 2 2 338.408 1.217 20 5 EDBDLP COc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000597989325 449172945 /nfs/dbraw/zinc/17/29/45/449172945.db2.gz CYTPSLZBTZVRPE-UHFFFAOYSA-N 2 2 338.408 1.217 20 5 EDBDLP C[C@H]1CC[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[NH2+]1 ZINC000600954525 449615493 /nfs/dbraw/zinc/61/54/93/449615493.db2.gz DNUBHHZXNZFYGN-ZFWWWQNUSA-N 2 2 334.420 1.979 20 5 EDBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000602547037 449667158 /nfs/dbraw/zinc/66/71/58/449667158.db2.gz WTGPJYFTKGJKDM-KRWDZBQOSA-N 2 2 348.447 1.133 20 5 EDBDLP COC(=O)[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC[N@H+](C)C1 ZINC000601176377 449734745 /nfs/dbraw/zinc/73/47/45/449734745.db2.gz OWUKBOUZLGGYGQ-LBPRGKRZSA-N 2 2 344.371 1.684 20 5 EDBDLP COC(=O)[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC[N@@H+](C)C1 ZINC000601176377 449734748 /nfs/dbraw/zinc/73/47/48/449734748.db2.gz OWUKBOUZLGGYGQ-LBPRGKRZSA-N 2 2 344.371 1.684 20 5 EDBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000602788605 449809454 /nfs/dbraw/zinc/80/94/54/449809454.db2.gz URTMTINSVAUBCF-UHFFFAOYSA-N 2 2 330.392 1.625 20 5 EDBDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602814258 449828271 /nfs/dbraw/zinc/82/82/71/449828271.db2.gz YSEZUNCVABIQAE-DZGCQCFKSA-N 2 2 339.440 1.555 20 5 EDBDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602814258 449828277 /nfs/dbraw/zinc/82/82/77/449828277.db2.gz YSEZUNCVABIQAE-DZGCQCFKSA-N 2 2 339.440 1.555 20 5 EDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000602906104 449911768 /nfs/dbraw/zinc/91/17/68/449911768.db2.gz QAMLAIGGYFIHMU-AWEZNQCLSA-N 2 2 325.413 1.142 20 5 EDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000602906104 449911773 /nfs/dbraw/zinc/91/17/73/449911773.db2.gz QAMLAIGGYFIHMU-AWEZNQCLSA-N 2 2 325.413 1.142 20 5 EDBDLP O=C(NC[C@@H]1CCCC[NH2+]1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000237921486 491009265 /nfs/dbraw/zinc/00/92/65/491009265.db2.gz LXWNPVHEIBVITE-ZDUSSCGKSA-N 2 2 329.360 1.652 20 5 EDBDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000776591105 580422934 /nfs/dbraw/zinc/42/29/34/580422934.db2.gz ATNROOZTTGRTNE-QZTJIDSGSA-N 2 2 348.447 1.340 20 5 EDBDLP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000776591105 580422935 /nfs/dbraw/zinc/42/29/35/580422935.db2.gz ATNROOZTTGRTNE-QZTJIDSGSA-N 2 2 348.447 1.340 20 5 EDBDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000776591101 580422962 /nfs/dbraw/zinc/42/29/62/580422962.db2.gz ATNROOZTTGRTNE-MSOLQXFVSA-N 2 2 348.447 1.340 20 5 EDBDLP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000776591101 580422963 /nfs/dbraw/zinc/42/29/63/580422963.db2.gz ATNROOZTTGRTNE-MSOLQXFVSA-N 2 2 348.447 1.340 20 5 EDBDLP C[C@@H]1[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895734763 591264672 /nfs/dbraw/zinc/26/46/72/591264672.db2.gz AEJYCYWOHLEYJQ-HIFRSBDPSA-N 2 2 334.420 1.932 20 5 EDBDLP C[C@@H]1[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000895734763 591264674 /nfs/dbraw/zinc/26/46/74/591264674.db2.gz AEJYCYWOHLEYJQ-HIFRSBDPSA-N 2 2 334.420 1.932 20 5 EDBDLP O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+]CC[NH2+]CC1 ZINC000900476404 592036109 /nfs/dbraw/zinc/03/61/09/592036109.db2.gz ZGHMQIZERATYFP-UHFFFAOYSA-N 2 2 327.772 1.275 20 5 EDBDLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cnn1C ZINC000903895436 592367962 /nfs/dbraw/zinc/36/79/62/592367962.db2.gz NWCQZGLQNIHXBI-CQSZACIVSA-N 2 2 343.431 1.812 20 5 EDBDLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cnn1C ZINC000903895436 592367970 /nfs/dbraw/zinc/36/79/70/592367970.db2.gz NWCQZGLQNIHXBI-CQSZACIVSA-N 2 2 343.431 1.812 20 5 EDBDLP C[NH+](C)Cc1csc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000905528084 592562533 /nfs/dbraw/zinc/56/25/33/592562533.db2.gz DEMAGMZIXWDRTM-AWEZNQCLSA-N 2 2 336.417 1.936 20 5 EDBDLP O=C(CC[N@@H+]1CCc2[nH+]c[nH]c2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000859308258 596044627 /nfs/dbraw/zinc/04/46/27/596044627.db2.gz RBVQNLBKSREXIE-UHFFFAOYSA-N 2 2 333.323 1.844 20 5 EDBDLP O=C(CC[N@H+]1CCc2[nH+]c[nH]c2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000859308258 596044632 /nfs/dbraw/zinc/04/46/32/596044632.db2.gz RBVQNLBKSREXIE-UHFFFAOYSA-N 2 2 333.323 1.844 20 5 EDBDLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997126179 703385160 /nfs/dbraw/zinc/38/51/60/703385160.db2.gz NYUVVPLKGPETFZ-UHFFFAOYSA-N 2 2 343.387 1.641 20 5 EDBDLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997126968 703386020 /nfs/dbraw/zinc/38/60/20/703386020.db2.gz PQMXNTIFTOKQOO-UHFFFAOYSA-N 2 2 343.387 1.641 20 5 EDBDLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000562478460 306299845 /nfs/dbraw/zinc/29/98/45/306299845.db2.gz HNJWCJDCYWGNJZ-ZFWWWQNUSA-N 2 2 325.409 1.493 20 5 EDBDLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000562478460 306299846 /nfs/dbraw/zinc/29/98/46/306299846.db2.gz HNJWCJDCYWGNJZ-ZFWWWQNUSA-N 2 2 325.409 1.493 20 5 EDBDLP Cc1c(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000162401203 206398995 /nfs/dbraw/zinc/39/89/95/206398995.db2.gz ZXUIPCLXGFMDSU-KRWDZBQOSA-N 2 2 346.431 1.642 20 5 EDBDLP Cc1c(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000162401203 206398999 /nfs/dbraw/zinc/39/89/99/206398999.db2.gz ZXUIPCLXGFMDSU-KRWDZBQOSA-N 2 2 346.431 1.642 20 5 EDBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000364201291 153171490 /nfs/dbraw/zinc/17/14/90/153171490.db2.gz BECBHVJFPPKWQV-UHFFFAOYSA-N 2 2 330.392 1.824 20 5 EDBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000364201291 153171491 /nfs/dbraw/zinc/17/14/91/153171491.db2.gz BECBHVJFPPKWQV-UHFFFAOYSA-N 2 2 330.392 1.824 20 5 EDBDLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414959451 447374393 /nfs/dbraw/zinc/37/43/93/447374393.db2.gz FOOBXLYDVPVGIB-HNNXBMFYSA-N 2 2 330.388 1.848 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174718387 441957138 /nfs/dbraw/zinc/95/71/38/441957138.db2.gz YIIJHLIRKMQNDJ-UHFFFAOYSA-N 2 2 336.436 1.673 20 5 EDBDLP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000193496579 442748805 /nfs/dbraw/zinc/74/88/05/442748805.db2.gz QPLQTLYRLVHXTR-YPMHNXCESA-N 2 2 329.360 1.651 20 5 EDBDLP CCOc1cc(C[N@H+](C)C2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000492770075 320385553 /nfs/dbraw/zinc/38/55/53/320385553.db2.gz LDFJRQHLWQGNSO-UHFFFAOYSA-N 2 2 337.420 1.882 20 5 EDBDLP CCOc1cc(C[N@@H+](C)C2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000492770075 320385554 /nfs/dbraw/zinc/38/55/54/320385554.db2.gz LDFJRQHLWQGNSO-UHFFFAOYSA-N 2 2 337.420 1.882 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000517359975 320448758 /nfs/dbraw/zinc/44/87/58/320448758.db2.gz YJXJOYTYKLJRLD-UONOGXRCSA-N 2 2 346.387 1.698 20 5 EDBDLP O=C(CC[NH2+][C@H]1CCn2cc[nH+]c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000570156749 321339398 /nfs/dbraw/zinc/33/93/98/321339398.db2.gz KUVFITAHYUNKOT-LBPRGKRZSA-N 2 2 329.360 1.725 20 5 EDBDLP CN(C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000571088307 321370257 /nfs/dbraw/zinc/37/02/57/321370257.db2.gz SFAGRZKTAHINNH-KRWDZBQOSA-N 2 2 332.404 1.633 20 5 EDBDLP CN(C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000571088307 321370258 /nfs/dbraw/zinc/37/02/58/321370258.db2.gz SFAGRZKTAHINNH-KRWDZBQOSA-N 2 2 332.404 1.633 20 5 EDBDLP CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351862453 445346594 /nfs/dbraw/zinc/34/65/94/445346594.db2.gz PAKQUUAPMIRBQJ-NEPJUHHUSA-N 2 2 336.392 1.601 20 5 EDBDLP CCOc1ccc(NC(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351862453 445346598 /nfs/dbraw/zinc/34/65/98/445346598.db2.gz PAKQUUAPMIRBQJ-NEPJUHHUSA-N 2 2 336.392 1.601 20 5 EDBDLP COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC000420338426 446508121 /nfs/dbraw/zinc/50/81/21/446508121.db2.gz KXMZEHXNKRBNCD-ABAIWWIYSA-N 2 2 334.376 1.226 20 5 EDBDLP COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC000420338426 446508124 /nfs/dbraw/zinc/50/81/24/446508124.db2.gz KXMZEHXNKRBNCD-ABAIWWIYSA-N 2 2 334.376 1.226 20 5 EDBDLP COc1ccc(NC(=O)CC[NH2+]C(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000411819910 446680819 /nfs/dbraw/zinc/68/08/19/446680819.db2.gz QZUTXSOKLQGGHZ-UHFFFAOYSA-N 2 2 338.408 1.862 20 5 EDBDLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000591749485 448479769 /nfs/dbraw/zinc/47/97/69/448479769.db2.gz ZNLHRAYWGSPWGA-WWGRRREGSA-N 2 2 335.404 1.549 20 5 EDBDLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000591749485 448479773 /nfs/dbraw/zinc/47/97/73/448479773.db2.gz ZNLHRAYWGSPWGA-WWGRRREGSA-N 2 2 335.404 1.549 20 5 EDBDLP C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000568384979 448865802 /nfs/dbraw/zinc/86/58/02/448865802.db2.gz BNBHVGNJLNFSLV-XKQJLSEDSA-N 2 2 347.419 1.433 20 5 EDBDLP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000590053951 449101975 /nfs/dbraw/zinc/10/19/75/449101975.db2.gz YUKUFCZLGWJFGR-KRWDZBQOSA-N 2 2 333.388 1.909 20 5 EDBDLP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000590053951 449101977 /nfs/dbraw/zinc/10/19/77/449101977.db2.gz YUKUFCZLGWJFGR-KRWDZBQOSA-N 2 2 333.388 1.909 20 5 EDBDLP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000590053951 449101981 /nfs/dbraw/zinc/10/19/81/449101981.db2.gz YUKUFCZLGWJFGR-KRWDZBQOSA-N 2 2 333.388 1.909 20 5 EDBDLP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000590053951 449101983 /nfs/dbraw/zinc/10/19/83/449101983.db2.gz YUKUFCZLGWJFGR-KRWDZBQOSA-N 2 2 333.388 1.909 20 5 EDBDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000590053954 449102048 /nfs/dbraw/zinc/10/20/48/449102048.db2.gz ZEWYDPBYESMYLV-KRWDZBQOSA-N 2 2 333.388 1.894 20 5 EDBDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000590053954 449102051 /nfs/dbraw/zinc/10/20/51/449102051.db2.gz ZEWYDPBYESMYLV-KRWDZBQOSA-N 2 2 333.388 1.894 20 5 EDBDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000590053954 449102053 /nfs/dbraw/zinc/10/20/53/449102053.db2.gz ZEWYDPBYESMYLV-KRWDZBQOSA-N 2 2 333.388 1.894 20 5 EDBDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000590053954 449102055 /nfs/dbraw/zinc/10/20/55/449102055.db2.gz ZEWYDPBYESMYLV-KRWDZBQOSA-N 2 2 333.388 1.894 20 5 EDBDLP C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000590442344 449163941 /nfs/dbraw/zinc/16/39/41/449163941.db2.gz FMOSZNOYPALVDQ-CJNGLKHVSA-N 2 2 341.371 1.557 20 5 EDBDLP C[N@H+]1C[C@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000590442344 449163946 /nfs/dbraw/zinc/16/39/46/449163946.db2.gz FMOSZNOYPALVDQ-CJNGLKHVSA-N 2 2 341.371 1.557 20 5 EDBDLP COc1cc(C[NH2+]CC2([NH3+])CCOCC2)c([N+](=O)[O-])cc1OC ZINC000600678980 449487031 /nfs/dbraw/zinc/48/70/31/449487031.db2.gz WDNLJBOMEWNTHE-UHFFFAOYSA-N 2 2 325.365 1.210 20 5 EDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000600778219 449544524 /nfs/dbraw/zinc/54/45/24/449544524.db2.gz WURQSCGSLGZSHA-UHFFFAOYSA-N 2 2 333.348 1.238 20 5 EDBDLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602612767 449705053 /nfs/dbraw/zinc/70/50/53/449705053.db2.gz QOGRUTYUBZJVSD-CYBMUJFWSA-N 2 2 333.310 1.770 20 5 EDBDLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602612767 449705058 /nfs/dbraw/zinc/70/50/58/449705058.db2.gz QOGRUTYUBZJVSD-CYBMUJFWSA-N 2 2 333.310 1.770 20 5 EDBDLP C[C@@H](CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)N1CC[NH+](C)CC1 ZINC000601111263 449694654 /nfs/dbraw/zinc/69/46/54/449694654.db2.gz PWDGYKQLTFJDKZ-ZDUSSCGKSA-N 2 2 329.404 1.613 20 5 EDBDLP C[C@@H](CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)[NH+]1CCN(C)CC1 ZINC000601111263 449694664 /nfs/dbraw/zinc/69/46/64/449694664.db2.gz PWDGYKQLTFJDKZ-ZDUSSCGKSA-N 2 2 329.404 1.613 20 5 EDBDLP C[C@@H]1C[NH+](CCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000749664495 579733859 /nfs/dbraw/zinc/73/38/59/579733859.db2.gz RKMXIMVCLTVTTF-CPUCHLNUSA-N 2 2 337.420 1.717 20 5 EDBDLP C[N@H+](CCCn1cc[nH+]c1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794635414 593184013 /nfs/dbraw/zinc/18/40/13/593184013.db2.gz VPGJZDTUFAJFPA-UHFFFAOYSA-N 2 2 331.332 1.679 20 5 EDBDLP C[N@@H+](CCCn1cc[nH+]c1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794635414 593184014 /nfs/dbraw/zinc/18/40/14/593184014.db2.gz VPGJZDTUFAJFPA-UHFFFAOYSA-N 2 2 331.332 1.679 20 5 EDBDLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843362347 595087912 /nfs/dbraw/zinc/08/79/12/595087912.db2.gz FCMLBECQNPTEBS-UWVGGRQHSA-N 2 2 326.784 1.856 20 5 EDBDLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843362347 595087915 /nfs/dbraw/zinc/08/79/15/595087915.db2.gz FCMLBECQNPTEBS-UWVGGRQHSA-N 2 2 326.784 1.856 20 5 EDBDLP COC(=O)COc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415079840 304158061 /nfs/dbraw/zinc/15/80/61/304158061.db2.gz XWBJGYZJWBMVDF-ZDUSSCGKSA-N 2 2 337.376 1.378 20 5 EDBDLP Cc1cc(NC[C@]2(O)CC[N@@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000358343588 151343741 /nfs/dbraw/zinc/34/37/41/151343741.db2.gz MTJXWVBOLNGJBW-QGZVFWFLSA-N 2 2 343.387 1.261 20 5 EDBDLP Cc1cc(NC[C@]2(O)CC[N@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000358343588 151343743 /nfs/dbraw/zinc/34/37/43/151343743.db2.gz MTJXWVBOLNGJBW-QGZVFWFLSA-N 2 2 343.387 1.261 20 5 EDBDLP CCc1nn(C)c(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000367939441 154337475 /nfs/dbraw/zinc/33/74/75/154337475.db2.gz UYEPXJWHTKBIOW-GFCCVEGCSA-N 2 2 336.440 1.471 20 5 EDBDLP CCc1nn(C)c(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000367939441 154337478 /nfs/dbraw/zinc/33/74/78/154337478.db2.gz UYEPXJWHTKBIOW-GFCCVEGCSA-N 2 2 336.440 1.471 20 5 EDBDLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000284421203 274195660 /nfs/dbraw/zinc/19/56/60/274195660.db2.gz CWNMJJSUPLPMLW-CZUORRHYSA-N 2 2 329.360 1.438 20 5 EDBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000372834959 447307744 /nfs/dbraw/zinc/30/77/44/447307744.db2.gz AJCPSBLSPQGRSD-MRXNPFEDSA-N 2 2 348.447 1.954 20 5 EDBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000372834959 447307751 /nfs/dbraw/zinc/30/77/51/447307751.db2.gz AJCPSBLSPQGRSD-MRXNPFEDSA-N 2 2 348.447 1.954 20 5 EDBDLP O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[NH+](C2CC2)CC1 ZINC000448811359 305302434 /nfs/dbraw/zinc/30/24/34/305302434.db2.gz PVRAKKCGMDGEJW-UHFFFAOYSA-N 2 2 341.371 1.701 20 5 EDBDLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450381726 305329467 /nfs/dbraw/zinc/32/94/67/305329467.db2.gz UVOCELMLAITQCZ-QWHCGFSZSA-N 2 2 343.387 1.945 20 5 EDBDLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450381726 305329468 /nfs/dbraw/zinc/32/94/68/305329468.db2.gz UVOCELMLAITQCZ-QWHCGFSZSA-N 2 2 343.387 1.945 20 5 EDBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000536069269 306019379 /nfs/dbraw/zinc/01/93/79/306019379.db2.gz YIIBCZBWZSFOLM-ZFWWWQNUSA-N 2 2 346.387 1.558 20 5 EDBDLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000124364551 441920917 /nfs/dbraw/zinc/92/09/17/441920917.db2.gz GMIQSXMBJIJEDX-HNNXBMFYSA-N 2 2 334.376 1.553 20 5 EDBDLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000124364551 441920920 /nfs/dbraw/zinc/92/09/20/441920920.db2.gz GMIQSXMBJIJEDX-HNNXBMFYSA-N 2 2 334.376 1.553 20 5 EDBDLP C[C@H]1C[C@H]([NH+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000123334473 441884501 /nfs/dbraw/zinc/88/45/01/441884501.db2.gz HCHKIESEWCFPQD-XJKSGUPXSA-N 2 2 334.420 1.972 20 5 EDBDLP C[C@H]1C[C@H]([NH+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123334473 441884508 /nfs/dbraw/zinc/88/45/08/441884508.db2.gz HCHKIESEWCFPQD-XJKSGUPXSA-N 2 2 334.420 1.972 20 5 EDBDLP C[C@H]1C[C@H]([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000123334473 441884515 /nfs/dbraw/zinc/88/45/15/441884515.db2.gz HCHKIESEWCFPQD-XJKSGUPXSA-N 2 2 334.420 1.972 20 5 EDBDLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000123334473 441884517 /nfs/dbraw/zinc/88/45/17/441884517.db2.gz HCHKIESEWCFPQD-XJKSGUPXSA-N 2 2 334.420 1.972 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000342760419 444853192 /nfs/dbraw/zinc/85/31/92/444853192.db2.gz ZRKAPAYXQDTDRS-KBPBESRZSA-N 2 2 346.387 1.937 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000342760419 444853194 /nfs/dbraw/zinc/85/31/94/444853194.db2.gz ZRKAPAYXQDTDRS-KBPBESRZSA-N 2 2 346.387 1.937 20 5 EDBDLP Cc1cc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000364381099 445916595 /nfs/dbraw/zinc/91/65/95/445916595.db2.gz IXYPNGSMEJCGIU-CQSZACIVSA-N 2 2 333.436 1.903 20 5 EDBDLP Cc1cc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000364381099 445916598 /nfs/dbraw/zinc/91/65/98/445916598.db2.gz IXYPNGSMEJCGIU-CQSZACIVSA-N 2 2 333.436 1.903 20 5 EDBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420315265 446479772 /nfs/dbraw/zinc/47/97/72/446479772.db2.gz WTSZJNXBSVLALT-GOEBONIOSA-N 2 2 346.431 1.860 20 5 EDBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420315265 446479778 /nfs/dbraw/zinc/47/97/78/446479778.db2.gz WTSZJNXBSVLALT-GOEBONIOSA-N 2 2 346.431 1.860 20 5 EDBDLP O=C1[C@H]([N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420360603 446541245 /nfs/dbraw/zinc/54/12/45/446541245.db2.gz GJZKOMOPWFYKNE-AEFFLSMTSA-N 2 2 344.415 1.776 20 5 EDBDLP O=C1[C@H]([N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420360603 446541256 /nfs/dbraw/zinc/54/12/56/446541256.db2.gz GJZKOMOPWFYKNE-AEFFLSMTSA-N 2 2 344.415 1.776 20 5 EDBDLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450347176 447462594 /nfs/dbraw/zinc/46/25/94/447462594.db2.gz HFLCWLPTUHVCAX-CHWSQXEVSA-N 2 2 343.387 1.945 20 5 EDBDLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450347176 447462599 /nfs/dbraw/zinc/46/25/99/447462599.db2.gz HFLCWLPTUHVCAX-CHWSQXEVSA-N 2 2 343.387 1.945 20 5 EDBDLP C[NH+](C)CC(C)(C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000459547426 447702655 /nfs/dbraw/zinc/70/26/55/447702655.db2.gz JJVARKIDQRCLLV-UHFFFAOYSA-N 2 2 336.392 1.823 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592475126 448853272 /nfs/dbraw/zinc/85/32/72/448853272.db2.gz SZWHNNBGFBLLDB-DOMZBBRYSA-N 2 2 336.392 1.280 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592475126 448853275 /nfs/dbraw/zinc/85/32/75/448853275.db2.gz SZWHNNBGFBLLDB-DOMZBBRYSA-N 2 2 336.392 1.280 20 5 EDBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000602825380 449836828 /nfs/dbraw/zinc/83/68/28/449836828.db2.gz KRTDXIRMLKKDFN-UHFFFAOYSA-N 2 2 330.392 1.625 20 5 EDBDLP Cc1noc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595406335 450118618 /nfs/dbraw/zinc/11/86/18/450118618.db2.gz CBXDMXVKHXLULL-OCCSQVGLSA-N 2 2 337.424 1.349 20 5 EDBDLP Cc1noc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595406335 450118623 /nfs/dbraw/zinc/11/86/23/450118623.db2.gz CBXDMXVKHXLULL-OCCSQVGLSA-N 2 2 337.424 1.349 20 5 EDBDLP CCC1([NH+]2CCOCC2)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000599669476 450141363 /nfs/dbraw/zinc/14/13/63/450141363.db2.gz MSKZVMWXPFXHFH-UHFFFAOYSA-N 2 2 337.424 1.368 20 5 EDBDLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000843377144 595093391 /nfs/dbraw/zinc/09/33/91/595093391.db2.gz OSQPGPBQSOCSPV-CQSZACIVSA-N 2 2 338.383 1.553 20 5 EDBDLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000843377144 595093395 /nfs/dbraw/zinc/09/33/95/595093395.db2.gz OSQPGPBQSOCSPV-CQSZACIVSA-N 2 2 338.383 1.553 20 5 EDBDLP O=[N+]([O-])c1cc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cs1 ZINC000261715490 139219892 /nfs/dbraw/zinc/21/98/92/139219892.db2.gz KKSYWMBRWPQWCB-UHFFFAOYSA-N 2 2 348.432 1.731 20 5 EDBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000331848138 141088657 /nfs/dbraw/zinc/08/86/57/141088657.db2.gz GUOKJDQXXFCVSU-INIZCTEOSA-N 2 2 337.424 1.103 20 5 EDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352519637 162226832 /nfs/dbraw/zinc/22/68/32/162226832.db2.gz QJNQANQDXKEOBZ-INIZCTEOSA-N 2 2 334.420 1.473 20 5 EDBDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000276283904 273157332 /nfs/dbraw/zinc/15/73/32/273157332.db2.gz GKHATLIXDOZXOY-HNNXBMFYSA-N 2 2 336.411 1.946 20 5 EDBDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000276283904 273157333 /nfs/dbraw/zinc/15/73/33/273157333.db2.gz GKHATLIXDOZXOY-HNNXBMFYSA-N 2 2 336.411 1.946 20 5 EDBDLP C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[NH2+]CC1 ZINC000435611450 305143347 /nfs/dbraw/zinc/14/33/47/305143347.db2.gz SGBCELWMXAUALP-AWEZNQCLSA-N 2 2 332.404 1.558 20 5 EDBDLP C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[NH2+]CC1 ZINC000435611450 305143348 /nfs/dbraw/zinc/14/33/48/305143348.db2.gz SGBCELWMXAUALP-AWEZNQCLSA-N 2 2 332.404 1.558 20 5 EDBDLP CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1CCC[N@H+](C)C1 ZINC000449945777 447417596 /nfs/dbraw/zinc/41/75/96/447417596.db2.gz RRSDHBWPJXSMRX-AWEZNQCLSA-N 2 2 343.387 1.947 20 5 EDBDLP CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1CCC[N@@H+](C)C1 ZINC000449945777 447417598 /nfs/dbraw/zinc/41/75/98/447417598.db2.gz RRSDHBWPJXSMRX-AWEZNQCLSA-N 2 2 343.387 1.947 20 5 EDBDLP Cn1cc[nH+]c1N1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000089926342 441596669 /nfs/dbraw/zinc/59/66/69/441596669.db2.gz OEOHYTSQKXRYFL-UHFFFAOYSA-N 2 2 342.359 1.792 20 5 EDBDLP C[NH+](C)C1CC[NH+](CCNc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000267192106 443372396 /nfs/dbraw/zinc/37/23/96/443372396.db2.gz MRTZATLABPXVCH-UHFFFAOYSA-N 2 2 334.380 1.569 20 5 EDBDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285629245 444053586 /nfs/dbraw/zinc/05/35/86/444053586.db2.gz NHCLLNYNLMMIRV-UHFFFAOYSA-N 2 2 342.390 1.942 20 5 EDBDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285629245 444053589 /nfs/dbraw/zinc/05/35/89/444053589.db2.gz NHCLLNYNLMMIRV-UHFFFAOYSA-N 2 2 342.390 1.942 20 5 EDBDLP C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1[N+](=O)[O-] ZINC000361930767 446080228 /nfs/dbraw/zinc/08/02/28/446080228.db2.gz XEBFNLHOPLMVQU-NVXWUHKLSA-N 2 2 348.447 1.432 20 5 EDBDLP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1[N+](=O)[O-] ZINC000361930767 446080230 /nfs/dbraw/zinc/08/02/30/446080230.db2.gz XEBFNLHOPLMVQU-NVXWUHKLSA-N 2 2 348.447 1.432 20 5 EDBDLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000361930767 446080233 /nfs/dbraw/zinc/08/02/33/446080233.db2.gz XEBFNLHOPLMVQU-NVXWUHKLSA-N 2 2 348.447 1.432 20 5 EDBDLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000361930767 446080236 /nfs/dbraw/zinc/08/02/36/446080236.db2.gz XEBFNLHOPLMVQU-NVXWUHKLSA-N 2 2 348.447 1.432 20 5 EDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@H]12 ZINC000351501980 446107164 /nfs/dbraw/zinc/10/71/64/446107164.db2.gz YPOIPVRPFBUUON-KWCYVHTRSA-N 2 2 329.360 1.814 20 5 EDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@H]12 ZINC000351501980 446107171 /nfs/dbraw/zinc/10/71/71/446107171.db2.gz YPOIPVRPFBUUON-KWCYVHTRSA-N 2 2 329.360 1.814 20 5 EDBDLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000420308669 446472151 /nfs/dbraw/zinc/47/21/51/446472151.db2.gz NQWKVTPZUNENTA-TUKIKUTGSA-N 2 2 339.417 1.038 20 5 EDBDLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000420308669 446472154 /nfs/dbraw/zinc/47/21/54/446472154.db2.gz NQWKVTPZUNENTA-TUKIKUTGSA-N 2 2 339.417 1.038 20 5 EDBDLP COCC[NH2+]CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000420216242 447673756 /nfs/dbraw/zinc/67/37/56/447673756.db2.gz DCMJSESFWZEFEZ-UHFFFAOYSA-N 2 2 338.408 1.075 20 5 EDBDLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C[NH3+] ZINC000422641662 447685503 /nfs/dbraw/zinc/68/55/03/447685503.db2.gz YIWXSMFYVUNPAX-IPYPFGDCSA-N 2 2 346.431 1.789 20 5 EDBDLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C[NH3+] ZINC000422641662 447685507 /nfs/dbraw/zinc/68/55/07/447685507.db2.gz YIWXSMFYVUNPAX-IPYPFGDCSA-N 2 2 346.431 1.789 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000573111358 448546512 /nfs/dbraw/zinc/54/65/12/448546512.db2.gz APMVSEQLHDYJRU-VXGBXAGGSA-N 2 2 332.360 1.205 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000573111358 448546518 /nfs/dbraw/zinc/54/65/18/448546518.db2.gz APMVSEQLHDYJRU-VXGBXAGGSA-N 2 2 332.360 1.205 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600758202 449537634 /nfs/dbraw/zinc/53/76/34/449537634.db2.gz WNDWCVLZTSLZTB-CVEARBPZSA-N 2 2 349.431 1.941 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000600758202 449537637 /nfs/dbraw/zinc/53/76/37/449537637.db2.gz WNDWCVLZTSLZTB-CVEARBPZSA-N 2 2 349.431 1.941 20 5 EDBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cn([C@@H]3CC[NH2+]C3)nn1)CCC2 ZINC000600713296 449512144 /nfs/dbraw/zinc/51/21/44/449512144.db2.gz HIGWUYXRKDFMLN-WBVHZDCISA-N 2 2 342.403 1.888 20 5 EDBDLP [NH3+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[C@H]1F ZINC000595260710 449982913 /nfs/dbraw/zinc/98/29/13/449982913.db2.gz JWTQRSNGVBFIAY-VXGBXAGGSA-N 2 2 333.323 1.292 20 5 EDBDLP CN1CC[NH+](CC2(C)CC[NH+](Cn3nccc3[N+](=O)[O-])CC2)CC1 ZINC000758254081 579978560 /nfs/dbraw/zinc/97/85/60/579978560.db2.gz QFQWMTHXGNYGEA-UHFFFAOYSA-N 2 2 336.440 1.098 20 5 EDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000824955331 594104576 /nfs/dbraw/zinc/10/45/76/594104576.db2.gz ALNAPNUBNFSBON-DLBZAZTESA-N 2 2 348.447 1.698 20 5 EDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000824955331 594104577 /nfs/dbraw/zinc/10/45/77/594104577.db2.gz ALNAPNUBNFSBON-DLBZAZTESA-N 2 2 348.447 1.698 20 5 EDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000855415541 595705648 /nfs/dbraw/zinc/70/56/48/595705648.db2.gz YTJXAAAXNMHQFG-UHFFFAOYSA-N 2 2 342.827 1.862 20 5 EDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000855415541 595705652 /nfs/dbraw/zinc/70/56/52/595705652.db2.gz YTJXAAAXNMHQFG-UHFFFAOYSA-N 2 2 342.827 1.862 20 5 EDBDLP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000563347912 306328781 /nfs/dbraw/zinc/32/87/81/306328781.db2.gz GDBXJMROHPEAGA-WFASDCNBSA-N 2 2 346.387 1.158 20 5 EDBDLP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000563347912 306328782 /nfs/dbraw/zinc/32/87/82/306328782.db2.gz GDBXJMROHPEAGA-WFASDCNBSA-N 2 2 346.387 1.158 20 5 EDBDLP O=C(NCCC[NH+]1CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000073418289 138217523 /nfs/dbraw/zinc/21/75/23/138217523.db2.gz MWQIEEZDNRCDJQ-UHFFFAOYSA-N 2 2 343.387 1.996 20 5 EDBDLP COCC[N@H+](C)CCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353496979 162262777 /nfs/dbraw/zinc/26/27/77/162262777.db2.gz MYGXKPOTPHXXSF-INIZCTEOSA-N 2 2 347.419 1.586 20 5 EDBDLP COCC[N@@H+](C)CCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353496979 162262780 /nfs/dbraw/zinc/26/27/80/162262780.db2.gz MYGXKPOTPHXXSF-INIZCTEOSA-N 2 2 347.419 1.586 20 5 EDBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000280538225 273368532 /nfs/dbraw/zinc/36/85/32/273368532.db2.gz SVXZWRCQFZQZCY-CALCHBBNSA-N 2 2 341.415 1.855 20 5 EDBDLP O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000280538225 273368533 /nfs/dbraw/zinc/36/85/33/273368533.db2.gz SVXZWRCQFZQZCY-CALCHBBNSA-N 2 2 341.415 1.855 20 5 EDBDLP O=[N+]([O-])c1cnn(CC[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000280538225 273368535 /nfs/dbraw/zinc/36/85/35/273368535.db2.gz SVXZWRCQFZQZCY-CALCHBBNSA-N 2 2 341.415 1.855 20 5 EDBDLP O=[N+]([O-])c1cnn(CC[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000280538225 273368536 /nfs/dbraw/zinc/36/85/36/273368536.db2.gz SVXZWRCQFZQZCY-CALCHBBNSA-N 2 2 341.415 1.855 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430585632 305057122 /nfs/dbraw/zinc/05/71/22/305057122.db2.gz STTLGACXOJQOAH-NWDGAFQWSA-N 2 2 336.392 1.601 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430585632 305057123 /nfs/dbraw/zinc/05/71/23/305057123.db2.gz STTLGACXOJQOAH-NWDGAFQWSA-N 2 2 336.392 1.601 20 5 EDBDLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000436064801 305151987 /nfs/dbraw/zinc/15/19/87/305151987.db2.gz NUSRUBJTUJMREJ-GFCCVEGCSA-N 2 2 338.383 1.553 20 5 EDBDLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000436064801 305151988 /nfs/dbraw/zinc/15/19/88/305151988.db2.gz NUSRUBJTUJMREJ-GFCCVEGCSA-N 2 2 338.383 1.553 20 5 EDBDLP C[NH+](C)CCOCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450432987 305329712 /nfs/dbraw/zinc/32/97/12/305329712.db2.gz CHTSIBXUGUGPBU-UHFFFAOYSA-N 2 2 347.375 1.089 20 5 EDBDLP COC(=O)COc1ccc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000414961752 447375502 /nfs/dbraw/zinc/37/55/02/447375502.db2.gz WCPWBYBWVHMSED-YPMHNXCESA-N 2 2 337.376 1.377 20 5 EDBDLP C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[N@@H+]1C ZINC000449939783 447416684 /nfs/dbraw/zinc/41/66/84/447416684.db2.gz KDJFDNBMVPDNEY-GXTWGEPZSA-N 2 2 343.387 1.993 20 5 EDBDLP C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[N@H+]1C ZINC000449939783 447416688 /nfs/dbraw/zinc/41/66/88/447416688.db2.gz KDJFDNBMVPDNEY-GXTWGEPZSA-N 2 2 343.387 1.993 20 5 EDBDLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000186684033 442590897 /nfs/dbraw/zinc/59/08/97/442590897.db2.gz APQGPABDQNKNNB-AAEUAGOBSA-N 2 2 329.360 1.508 20 5 EDBDLP CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000194118394 442848019 /nfs/dbraw/zinc/84/80/19/442848019.db2.gz AOVLDYFMFLNDOY-UHFFFAOYSA-N 2 2 343.387 1.947 20 5 EDBDLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000420295679 446458134 /nfs/dbraw/zinc/45/81/34/446458134.db2.gz VXECNLBTQYKIGE-AWEZNQCLSA-N 2 2 326.784 1.904 20 5 EDBDLP CN(C[C@@H]1CCC[N@@H+]1C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000420630146 446710120 /nfs/dbraw/zinc/71/01/20/446710120.db2.gz DKRWCXXPOGXNLR-INIZCTEOSA-N 2 2 348.447 1.957 20 5 EDBDLP CN(C[C@@H]1CCC[N@H+]1C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000420630146 446710125 /nfs/dbraw/zinc/71/01/25/446710125.db2.gz DKRWCXXPOGXNLR-INIZCTEOSA-N 2 2 348.447 1.957 20 5 EDBDLP [NH3+][C@@H]1CC[C@@H]2CN(c3cc(C[NH+]4CCOCC4)ccc3[N+](=O)[O-])C[C@@H]12 ZINC000420228007 447679592 /nfs/dbraw/zinc/67/95/92/447679592.db2.gz KBDNMQVMFFSAKP-BZUAXINKSA-N 2 2 346.431 1.601 20 5 EDBDLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430559787 447778156 /nfs/dbraw/zinc/77/81/56/447778156.db2.gz YBEDMOYAKPXZQR-WOSRLPQWSA-N 2 2 332.404 1.759 20 5 EDBDLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430559787 447778159 /nfs/dbraw/zinc/77/81/59/447778159.db2.gz YBEDMOYAKPXZQR-WOSRLPQWSA-N 2 2 332.404 1.759 20 5 EDBDLP CCOc1ccc(NC(=O)C[N@H+](C)CC(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC000430562527 447779653 /nfs/dbraw/zinc/77/96/53/447779653.db2.gz FADRQMUJXPMBLN-UHFFFAOYSA-N 2 2 338.408 1.849 20 5 EDBDLP CCOc1ccc(NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC000430562527 447779656 /nfs/dbraw/zinc/77/96/56/447779656.db2.gz FADRQMUJXPMBLN-UHFFFAOYSA-N 2 2 338.408 1.849 20 5 EDBDLP Cn1cc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591281634 448305182 /nfs/dbraw/zinc/30/51/82/448305182.db2.gz GZJYZKIGSUOKIF-KBPBESRZSA-N 2 2 333.367 1.785 20 5 EDBDLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000591744682 448479904 /nfs/dbraw/zinc/47/99/04/448479904.db2.gz WUMBVBPRROOEDF-LZWOXQAQSA-N 2 2 337.420 1.197 20 5 EDBDLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000591744682 448479913 /nfs/dbraw/zinc/47/99/13/448479913.db2.gz WUMBVBPRROOEDF-LZWOXQAQSA-N 2 2 337.420 1.197 20 5 EDBDLP O=C(CC[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000574513550 448889940 /nfs/dbraw/zinc/88/99/40/448889940.db2.gz UBEHVXXNSXYLBQ-NSHDSACASA-N 2 2 329.360 1.794 20 5 EDBDLP O=C(CC[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000574513550 448889946 /nfs/dbraw/zinc/88/99/46/448889946.db2.gz UBEHVXXNSXYLBQ-NSHDSACASA-N 2 2 329.360 1.794 20 5 EDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593737682 449172122 /nfs/dbraw/zinc/17/21/22/449172122.db2.gz UKXALGMVHMXHEV-GUYCJALGSA-N 2 2 332.404 1.903 20 5 EDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593737682 449172126 /nfs/dbraw/zinc/17/21/26/449172126.db2.gz UKXALGMVHMXHEV-GUYCJALGSA-N 2 2 332.404 1.903 20 5 EDBDLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)C[C@H]21 ZINC000599992247 449141133 /nfs/dbraw/zinc/14/11/33/449141133.db2.gz VNPOVJMGPCKEFQ-VIKVFOODSA-N 2 2 341.371 1.413 20 5 EDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000597989274 449174029 /nfs/dbraw/zinc/17/40/29/449174029.db2.gz AZGRPCRTDHDCCK-UHFFFAOYSA-N 2 2 326.372 1.347 20 5 EDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000597989274 449174032 /nfs/dbraw/zinc/17/40/32/449174032.db2.gz AZGRPCRTDHDCCK-UHFFFAOYSA-N 2 2 326.372 1.347 20 5 EDBDLP O=[N+]([O-])c1cccc(OCC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000595866841 449218763 /nfs/dbraw/zinc/21/87/63/449218763.db2.gz MJYBAVRWKWKPDF-MRXNPFEDSA-N 2 2 335.404 1.505 20 5 EDBDLP O=[N+]([O-])c1cccc(OCC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000595866841 449218767 /nfs/dbraw/zinc/21/87/67/449218767.db2.gz MJYBAVRWKWKPDF-MRXNPFEDSA-N 2 2 335.404 1.505 20 5 EDBDLP COC(=O)COc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600778277 449545020 /nfs/dbraw/zinc/54/50/20/449545020.db2.gz XORMJITVWNBVGX-DGCLKSJQSA-N 2 2 337.376 1.377 20 5 EDBDLP Cc1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000596626542 449576696 /nfs/dbraw/zinc/57/66/96/449576696.db2.gz OQUVRGQOWOQYMY-UHFFFAOYSA-N 2 2 337.424 1.908 20 5 EDBDLP Cc1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000596626542 449576701 /nfs/dbraw/zinc/57/67/01/449576701.db2.gz OQUVRGQOWOQYMY-UHFFFAOYSA-N 2 2 337.424 1.908 20 5 EDBDLP COC(=O)COc1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000594739234 449659625 /nfs/dbraw/zinc/65/96/25/449659625.db2.gz POYBHYCYBNIGFX-UHFFFAOYSA-N 2 2 337.376 1.508 20 5 EDBDLP C[C@H](CN1CC[NH+](C)CC1)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601112742 449696952 /nfs/dbraw/zinc/69/69/52/449696952.db2.gz CHROLBBUAIRKEE-CYBMUJFWSA-N 2 2 329.404 1.613 20 5 EDBDLP C[C@H](C[NH+]1CCN(C)CC1)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601112742 449696958 /nfs/dbraw/zinc/69/69/58/449696958.db2.gz CHROLBBUAIRKEE-CYBMUJFWSA-N 2 2 329.404 1.613 20 5 EDBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602590942 449690427 /nfs/dbraw/zinc/69/04/27/449690427.db2.gz LSPXMIYZFCJFPA-BETUJISGSA-N 2 2 327.344 1.357 20 5 EDBDLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962809 449964553 /nfs/dbraw/zinc/96/45/53/449964553.db2.gz PCWCMIWQJTVBIM-HZPDHXFCSA-N 2 2 325.409 1.093 20 5 EDBDLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962809 449964559 /nfs/dbraw/zinc/96/45/59/449964559.db2.gz PCWCMIWQJTVBIM-HZPDHXFCSA-N 2 2 325.409 1.093 20 5 EDBDLP Cc1cc(NC[C@@H]2CSCC[NH2+]2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000603419395 450292706 /nfs/dbraw/zinc/29/27/06/450292706.db2.gz NPINHWHPLLUKAU-CYBMUJFWSA-N 2 2 345.428 1.899 20 5 EDBDLP CC(C)[NH+]1CCC([NH+]2CCN(Cn3nccc3[N+](=O)[O-])CC2)CC1 ZINC000771172718 580281726 /nfs/dbraw/zinc/28/17/26/580281726.db2.gz DUXDLFZQXRXPLZ-UHFFFAOYSA-N 2 2 336.440 1.239 20 5 EDBDLP C[N@H+](CCCO)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776584314 580422295 /nfs/dbraw/zinc/42/22/95/580422295.db2.gz LCDKLFPYMPURIM-QGZVFWFLSA-N 2 2 337.420 1.407 20 5 EDBDLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776584314 580422296 /nfs/dbraw/zinc/42/22/96/580422296.db2.gz LCDKLFPYMPURIM-QGZVFWFLSA-N 2 2 337.420 1.407 20 5 EDBDLP O=C(OCCn1cc[nH+]c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785675503 580649858 /nfs/dbraw/zinc/64/98/58/580649858.db2.gz HVXXLOQKMBPTTG-UHFFFAOYSA-N 2 2 327.300 1.834 20 5 EDBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794637623 580901134 /nfs/dbraw/zinc/90/11/34/580901134.db2.gz YZCGTCUXFLFALX-LLVKDONJSA-N 2 2 343.343 1.683 20 5 EDBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794637623 580901135 /nfs/dbraw/zinc/90/11/35/580901135.db2.gz YZCGTCUXFLFALX-LLVKDONJSA-N 2 2 343.343 1.683 20 5 EDBDLP [NH3+]CC[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000900375641 592000820 /nfs/dbraw/zinc/00/08/20/592000820.db2.gz MKGVJHNQWQAZCS-AWEZNQCLSA-N 2 2 334.420 1.602 20 5 EDBDLP C[NH+](C)CC1CC[NH+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000738076511 593079256 /nfs/dbraw/zinc/07/92/56/593079256.db2.gz MPHPKWOUAGPXFN-UHFFFAOYSA-N 2 2 346.387 1.422 20 5 EDBDLP C[NH+](C)CCC[N@H+](C)CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000853800061 595884418 /nfs/dbraw/zinc/88/44/18/595884418.db2.gz YRIHGJPBWSMUNR-UHFFFAOYSA-N 2 2 325.369 1.798 20 5 EDBDLP C[NH+](C)CCC[N@@H+](C)CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000853800061 595884421 /nfs/dbraw/zinc/88/44/21/595884421.db2.gz YRIHGJPBWSMUNR-UHFFFAOYSA-N 2 2 325.369 1.798 20 5 EDBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158279317 284640320 /nfs/dbraw/zinc/64/03/20/284640320.db2.gz FTNVRKAEIGITGZ-KRWDZBQOSA-N 2 2 341.371 1.606 20 5 EDBDLP COC(=O)COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000261795956 139226787 /nfs/dbraw/zinc/22/67/87/139226787.db2.gz GNUMERHJTQSZEQ-WCQYABFASA-N 2 2 337.376 1.316 20 5 EDBDLP COC(=O)COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000261795956 139226788 /nfs/dbraw/zinc/22/67/88/139226788.db2.gz GNUMERHJTQSZEQ-WCQYABFASA-N 2 2 337.376 1.316 20 5 EDBDLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000261878016 139233445 /nfs/dbraw/zinc/23/34/45/139233445.db2.gz TXXRMEYYPJHYGC-VXGBXAGGSA-N 2 2 329.360 1.590 20 5 EDBDLP C[C@@H](O)C[N@H+](C)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000357633737 151094389 /nfs/dbraw/zinc/09/43/89/151094389.db2.gz FDAIXKPSISJCLD-CQSZACIVSA-N 2 2 337.420 1.751 20 5 EDBDLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000357633737 151094392 /nfs/dbraw/zinc/09/43/92/151094392.db2.gz FDAIXKPSISJCLD-CQSZACIVSA-N 2 2 337.420 1.751 20 5 EDBDLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000153180334 274330880 /nfs/dbraw/zinc/33/08/80/274330880.db2.gz YVUAUAWFFOKUJS-VXGBXAGGSA-N 2 2 329.360 1.603 20 5 EDBDLP COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000430597001 305057693 /nfs/dbraw/zinc/05/76/93/305057693.db2.gz KRQKYMVXGGCPMB-OLZOCXBDSA-N 2 2 348.403 1.758 20 5 EDBDLP COc1ccc(NC(=O)CC[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000430597001 305057694 /nfs/dbraw/zinc/05/76/94/305057694.db2.gz KRQKYMVXGGCPMB-OLZOCXBDSA-N 2 2 348.403 1.758 20 5 EDBDLP COCC[N@H+](C)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447544923 305281922 /nfs/dbraw/zinc/28/19/22/305281922.db2.gz VXDANIWCKQOWJZ-KBPBESRZSA-N 2 2 325.413 1.443 20 5 EDBDLP COCC[N@@H+](C)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447544923 305281923 /nfs/dbraw/zinc/28/19/23/305281923.db2.gz VXDANIWCKQOWJZ-KBPBESRZSA-N 2 2 325.413 1.443 20 5 EDBDLP O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000448923248 305304238 /nfs/dbraw/zinc/30/42/38/305304238.db2.gz VEDNCCFFJMUPGY-CQSZACIVSA-N 2 2 341.371 1.701 20 5 EDBDLP O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000448923248 305304239 /nfs/dbraw/zinc/30/42/39/305304239.db2.gz VEDNCCFFJMUPGY-CQSZACIVSA-N 2 2 341.371 1.701 20 5 EDBDLP C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000108339732 441448048 /nfs/dbraw/zinc/44/80/48/441448048.db2.gz RGMISYWZXMUSCH-CYBMUJFWSA-N 2 2 343.387 1.852 20 5 EDBDLP C[N@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000108339732 441448053 /nfs/dbraw/zinc/44/80/53/441448053.db2.gz RGMISYWZXMUSCH-CYBMUJFWSA-N 2 2 343.387 1.852 20 5 EDBDLP C[C@H]1C[C@H]([NH+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000123085357 441875182 /nfs/dbraw/zinc/87/51/82/441875182.db2.gz MZWYQDGKYBKCQD-DZGCQCFKSA-N 2 2 346.431 1.898 20 5 EDBDLP C[C@H]1C[C@H]([NH+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000123085357 441875188 /nfs/dbraw/zinc/87/51/88/441875188.db2.gz MZWYQDGKYBKCQD-DZGCQCFKSA-N 2 2 346.431 1.898 20 5 EDBDLP C[C@H]1C[C@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[NH+]1C ZINC000123085357 441875191 /nfs/dbraw/zinc/87/51/91/441875191.db2.gz MZWYQDGKYBKCQD-DZGCQCFKSA-N 2 2 346.431 1.898 20 5 EDBDLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[NH+]1C ZINC000123085357 441875199 /nfs/dbraw/zinc/87/51/99/441875199.db2.gz MZWYQDGKYBKCQD-DZGCQCFKSA-N 2 2 346.431 1.898 20 5 EDBDLP CN(C(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000152460197 442215890 /nfs/dbraw/zinc/21/58/90/442215890.db2.gz HQPWMUFHUQOWPA-CQSZACIVSA-N 2 2 334.420 1.831 20 5 EDBDLP CN(C(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000152460197 442215892 /nfs/dbraw/zinc/21/58/92/442215892.db2.gz HQPWMUFHUQOWPA-CQSZACIVSA-N 2 2 334.420 1.831 20 5 EDBDLP CN(C(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000152460197 442215893 /nfs/dbraw/zinc/21/58/93/442215893.db2.gz HQPWMUFHUQOWPA-CQSZACIVSA-N 2 2 334.420 1.831 20 5 EDBDLP CN(C(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000152460197 442215897 /nfs/dbraw/zinc/21/58/97/442215897.db2.gz HQPWMUFHUQOWPA-CQSZACIVSA-N 2 2 334.420 1.831 20 5 EDBDLP CNC(=O)c1ccc(NCC[NH+]2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000267167472 443365161 /nfs/dbraw/zinc/36/51/61/443365161.db2.gz HEDOGAVYTADBMG-UHFFFAOYSA-N 2 2 349.435 1.392 20 5 EDBDLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000272257442 443571001 /nfs/dbraw/zinc/57/10/01/443571001.db2.gz MJVRYCQXJDYIEG-WCQYABFASA-N 2 2 329.360 1.590 20 5 EDBDLP Cc1[nH]nc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000521477786 320483634 /nfs/dbraw/zinc/48/36/34/320483634.db2.gz BILPYBLLEWARSX-UHFFFAOYSA-N 2 2 345.363 1.025 20 5 EDBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000571587364 321393369 /nfs/dbraw/zinc/39/33/69/321393369.db2.gz PUFZIOCEXKEDDB-KGLIPLIRSA-N 2 2 346.387 1.558 20 5 EDBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000571587364 321393370 /nfs/dbraw/zinc/39/33/70/321393370.db2.gz PUFZIOCEXKEDDB-KGLIPLIRSA-N 2 2 346.387 1.558 20 5 EDBDLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000290558158 444294900 /nfs/dbraw/zinc/29/49/00/444294900.db2.gz ZMDIWCKFDSMRED-ZWKOTPCHSA-N 2 2 345.399 1.915 20 5 EDBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3N)C2)CC1 ZINC000372728698 447251583 /nfs/dbraw/zinc/25/15/83/447251583.db2.gz SJVSEWQIEMFGLI-GFCCVEGCSA-N 2 2 347.419 1.075 20 5 EDBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3N)C2)CC1 ZINC000372728698 447251586 /nfs/dbraw/zinc/25/15/86/447251586.db2.gz SJVSEWQIEMFGLI-GFCCVEGCSA-N 2 2 347.419 1.075 20 5 EDBDLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000421709174 447228273 /nfs/dbraw/zinc/22/82/73/447228273.db2.gz CVPKPXQUDICVJA-CQSZACIVSA-N 2 2 343.387 1.947 20 5 EDBDLP CN(C[C@H]1CCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000421709174 447228281 /nfs/dbraw/zinc/22/82/81/447228281.db2.gz CVPKPXQUDICVJA-CQSZACIVSA-N 2 2 343.387 1.947 20 5 EDBDLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000430595025 447782760 /nfs/dbraw/zinc/78/27/60/447782760.db2.gz TUVBVMRMNJYASO-HNNXBMFYSA-N 2 2 334.420 1.789 20 5 EDBDLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000430595025 447782761 /nfs/dbraw/zinc/78/27/61/447782761.db2.gz TUVBVMRMNJYASO-HNNXBMFYSA-N 2 2 334.420 1.789 20 5 EDBDLP C[NH+](C)C1CC[NH+](CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587991569 448851258 /nfs/dbraw/zinc/85/12/58/448851258.db2.gz TWRDZSAZKIUCKA-UHFFFAOYSA-N 2 2 337.424 1.107 20 5 EDBDLP COC(=O)COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000575133908 449044128 /nfs/dbraw/zinc/04/41/28/449044128.db2.gz ANMQDURMIIEMLO-YPMHNXCESA-N 2 2 337.376 1.458 20 5 EDBDLP COC(=O)COc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000575133908 449044134 /nfs/dbraw/zinc/04/41/34/449044134.db2.gz ANMQDURMIIEMLO-YPMHNXCESA-N 2 2 337.376 1.458 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000600768175 449540752 /nfs/dbraw/zinc/54/07/52/449540752.db2.gz DMCKANSOCVVBFP-UHFFFAOYSA-N 2 2 347.419 1.046 20 5 EDBDLP Cn1cc[nH+]c1[C@@H](NCC12CC(C1)C[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000596651203 449587642 /nfs/dbraw/zinc/58/76/42/449587642.db2.gz BIAKEGVGVPTKCJ-VXKCQOAXSA-N 2 2 327.388 1.759 20 5 EDBDLP Cc1noc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000595297642 450011744 /nfs/dbraw/zinc/01/17/44/450011744.db2.gz IEKKJBNIFVGKGV-UHFFFAOYSA-N 2 2 338.408 1.826 20 5 EDBDLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595334936 450049665 /nfs/dbraw/zinc/04/96/65/450049665.db2.gz BRHIQUMEVHYCNV-ZDUSSCGKSA-N 2 2 326.397 1.824 20 5 EDBDLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595334936 450049672 /nfs/dbraw/zinc/04/96/72/450049672.db2.gz BRHIQUMEVHYCNV-ZDUSSCGKSA-N 2 2 326.397 1.824 20 5 EDBDLP Cc1noc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595406334 450117689 /nfs/dbraw/zinc/11/76/89/450117689.db2.gz CBXDMXVKHXLULL-JSGCOSHPSA-N 2 2 337.424 1.349 20 5 EDBDLP Cc1noc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595406334 450117696 /nfs/dbraw/zinc/11/76/96/450117696.db2.gz CBXDMXVKHXLULL-JSGCOSHPSA-N 2 2 337.424 1.349 20 5 EDBDLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843364616 595088594 /nfs/dbraw/zinc/08/85/94/595088594.db2.gz MPRJCUPWJQIEFC-UWVGGRQHSA-N 2 2 326.784 1.856 20 5 EDBDLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843364616 595088595 /nfs/dbraw/zinc/08/85/95/595088595.db2.gz MPRJCUPWJQIEFC-UWVGGRQHSA-N 2 2 326.784 1.856 20 5 EDBDLP Cn1cc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415093161 304159209 /nfs/dbraw/zinc/15/92/09/304159209.db2.gz HOQWVAQYFRFTMU-HNNXBMFYSA-N 2 2 331.376 1.073 20 5 EDBDLP C[C@@H]1[NH2+]CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H]1C ZINC000262917079 139312577 /nfs/dbraw/zinc/31/25/77/139312577.db2.gz ZADFOOCZMMMCRG-RYUDHWBXSA-N 2 2 329.360 1.603 20 5 EDBDLP [NH3+]C[C@H]1CCCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430641961 305061061 /nfs/dbraw/zinc/06/10/61/305061061.db2.gz NNGGPLNQQQYZGJ-CYBMUJFWSA-N 2 2 334.376 1.706 20 5 EDBDLP [NH3+]C[C@H]1CCCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430641961 305061062 /nfs/dbraw/zinc/06/10/62/305061062.db2.gz NNGGPLNQQQYZGJ-CYBMUJFWSA-N 2 2 334.376 1.706 20 5 EDBDLP C[NH+](C)C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448581189 305298834 /nfs/dbraw/zinc/29/88/34/305298834.db2.gz IZTXPWYFROTOHZ-UHFFFAOYSA-N 2 2 331.376 1.851 20 5 EDBDLP C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448884208 305302898 /nfs/dbraw/zinc/30/28/98/305302898.db2.gz TURDUCUGKPIXHE-AWEZNQCLSA-N 2 2 343.387 1.947 20 5 EDBDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000123351756 441884983 /nfs/dbraw/zinc/88/49/83/441884983.db2.gz NERCUBJEXGOOCM-ZFWWWQNUSA-N 2 2 346.431 1.898 20 5 EDBDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000123351756 441884990 /nfs/dbraw/zinc/88/49/90/441884990.db2.gz NERCUBJEXGOOCM-ZFWWWQNUSA-N 2 2 346.431 1.898 20 5 EDBDLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[NH+]1C ZINC000123351756 441884996 /nfs/dbraw/zinc/88/49/96/441884996.db2.gz NERCUBJEXGOOCM-ZFWWWQNUSA-N 2 2 346.431 1.898 20 5 EDBDLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[NH+]1C ZINC000123351756 441885002 /nfs/dbraw/zinc/88/50/02/441885002.db2.gz NERCUBJEXGOOCM-ZFWWWQNUSA-N 2 2 346.431 1.898 20 5 EDBDLP CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000449748267 320204632 /nfs/dbraw/zinc/20/46/32/320204632.db2.gz KYSKAPRNMVNCIE-CQSZACIVSA-N 2 2 329.360 1.651 20 5 EDBDLP CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(N3CC[NH+](CC)CC3)n2)CC1 ZINC000276581747 443754198 /nfs/dbraw/zinc/75/41/98/443754198.db2.gz OSCAZGUIECKLHB-UHFFFAOYSA-N 2 2 348.451 1.274 20 5 EDBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362827600 445569151 /nfs/dbraw/zinc/56/91/51/445569151.db2.gz AHGWMWWDXAJXKV-ZIAGYGMSSA-N 2 2 332.404 1.552 20 5 EDBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362827600 445569155 /nfs/dbraw/zinc/56/91/55/445569155.db2.gz AHGWMWWDXAJXKV-ZIAGYGMSSA-N 2 2 332.404 1.552 20 5 EDBDLP CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000583519531 326089450 /nfs/dbraw/zinc/08/94/50/326089450.db2.gz ITGCSIYYWKNXQP-CQSZACIVSA-N 2 2 343.387 1.947 20 5 EDBDLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000583519531 326089453 /nfs/dbraw/zinc/08/94/53/326089453.db2.gz ITGCSIYYWKNXQP-CQSZACIVSA-N 2 2 343.387 1.947 20 5 EDBDLP Cc1cc(NC[C@H]2C[NH2+]CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420273256 446443816 /nfs/dbraw/zinc/44/38/16/446443816.db2.gz LWDHEEHUKXKRAH-OAHLLOKOSA-N 2 2 343.387 1.573 20 5 EDBDLP CO[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420314042 446478121 /nfs/dbraw/zinc/47/81/21/446478121.db2.gz VDJBKVKDBOTADR-STQMWFEESA-N 2 2 336.392 1.362 20 5 EDBDLP CO[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420314042 446478133 /nfs/dbraw/zinc/47/81/33/446478133.db2.gz VDJBKVKDBOTADR-STQMWFEESA-N 2 2 336.392 1.362 20 5 EDBDLP O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c2ccccc2)c1 ZINC000423396290 446516508 /nfs/dbraw/zinc/51/65/08/446516508.db2.gz BEIPWLURSMJEBN-BPQIPLTHSA-N 2 2 327.384 1.854 20 5 EDBDLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591742994 448478900 /nfs/dbraw/zinc/47/89/00/448478900.db2.gz QRZOMHOLNGLWMU-LSDHHAIUSA-N 2 2 337.420 1.799 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000573111357 448546294 /nfs/dbraw/zinc/54/62/94/448546294.db2.gz APMVSEQLHDYJRU-RYUDHWBXSA-N 2 2 332.360 1.205 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000573111357 448546299 /nfs/dbraw/zinc/54/62/99/448546299.db2.gz APMVSEQLHDYJRU-RYUDHWBXSA-N 2 2 332.360 1.205 20 5 EDBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000592246937 448761444 /nfs/dbraw/zinc/76/14/44/448761444.db2.gz MZABNXLSIZFKFE-GXTWGEPZSA-N 2 2 341.371 1.605 20 5 EDBDLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000573860357 448731401 /nfs/dbraw/zinc/73/14/01/448731401.db2.gz SLARPIKALBXFPI-OAHLLOKOSA-N 2 2 337.420 1.751 20 5 EDBDLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000573860357 448731407 /nfs/dbraw/zinc/73/14/07/448731407.db2.gz SLARPIKALBXFPI-OAHLLOKOSA-N 2 2 337.420 1.751 20 5 EDBDLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccc(N)c([N+](=O)[O-])n3)CC2)CC1 ZINC000596167984 449393292 /nfs/dbraw/zinc/39/32/92/449393292.db2.gz MQFSAGOYFLPCLS-UHFFFAOYSA-N 2 2 348.451 1.567 20 5 EDBDLP CC(C)[C@H]1C[NH2+]CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000602527841 449651609 /nfs/dbraw/zinc/65/16/09/449651609.db2.gz MKDLQYADNHNHNU-MRXNPFEDSA-N 2 2 343.387 1.851 20 5 EDBDLP CN(C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000601334972 449843950 /nfs/dbraw/zinc/84/39/50/449843950.db2.gz PKHXEFOAGWGZBO-CZUORRHYSA-N 2 2 332.404 1.632 20 5 EDBDLP CN(C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000601334972 449843957 /nfs/dbraw/zinc/84/39/57/449843957.db2.gz PKHXEFOAGWGZBO-CZUORRHYSA-N 2 2 332.404 1.632 20 5 EDBDLP C[NH+](C)Cc1csc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)n1 ZINC000896310012 591411729 /nfs/dbraw/zinc/41/17/29/591411729.db2.gz ZKDFGWCZRXOAAH-UHFFFAOYSA-N 2 2 336.421 1.803 20 5 EDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000900393963 592005638 /nfs/dbraw/zinc/00/56/38/592005638.db2.gz DTXVKOQZRRGDTJ-JKSUJKDBSA-N 2 2 346.431 1.473 20 5 EDBDLP C[NH+](C)Cc1csc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000905534299 592554555 /nfs/dbraw/zinc/55/45/55/592554555.db2.gz XIQHCOREVNECSJ-CQSZACIVSA-N 2 2 336.417 1.936 20 5 EDBDLP CC1([NH+]2CCOCC2)CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000859775936 596194476 /nfs/dbraw/zinc/19/44/76/596194476.db2.gz MERDBHWDDDYUOV-KRWDZBQOSA-N 2 2 349.431 1.815 20 5 EDBDLP CC1([NH+]2CCOCC2)CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000859777740 596194995 /nfs/dbraw/zinc/19/49/95/596194995.db2.gz XBVBHDAWGZRPKN-QGZVFWFLSA-N 2 2 349.431 1.815 20 5 EDBDLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000261878012 139233329 /nfs/dbraw/zinc/23/33/29/139233329.db2.gz TXXRMEYYPJHYGC-NWDGAFQWSA-N 2 2 329.360 1.590 20 5 EDBDLP O=C1[C@H]([N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000360572657 152103677 /nfs/dbraw/zinc/10/36/77/152103677.db2.gz XYBJMHOEIROAQI-NVXWUHKLSA-N 2 2 330.388 1.386 20 5 EDBDLP O=C1[C@H]([N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000360572657 152103680 /nfs/dbraw/zinc/10/36/80/152103680.db2.gz XYBJMHOEIROAQI-NVXWUHKLSA-N 2 2 330.388 1.386 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430610700 305058785 /nfs/dbraw/zinc/05/87/85/305058785.db2.gz LKJYYLBNCBZVOI-RYUDHWBXSA-N 2 2 336.392 1.601 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430610700 305058786 /nfs/dbraw/zinc/05/87/86/305058786.db2.gz LKJYYLBNCBZVOI-RYUDHWBXSA-N 2 2 336.392 1.601 20 5 EDBDLP CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000451676411 305361597 /nfs/dbraw/zinc/36/15/97/305361597.db2.gz FHUUTKZLJVGSDG-ZDUSSCGKSA-N 2 2 343.387 1.947 20 5 EDBDLP CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000451676411 305361598 /nfs/dbraw/zinc/36/15/98/305361598.db2.gz FHUUTKZLJVGSDG-ZDUSSCGKSA-N 2 2 343.387 1.947 20 5 EDBDLP COc1cc(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)c([N+](=O)[O-])cc1O ZINC000076897774 441692488 /nfs/dbraw/zinc/69/24/88/441692488.db2.gz ZPNRAXIHAXUBQR-LBPRGKRZSA-N 2 2 339.392 1.509 20 5 EDBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000269647343 443377690 /nfs/dbraw/zinc/37/76/90/443377690.db2.gz LKUJCJSFDLAKFQ-RHSMWYFYSA-N 2 2 335.404 1.282 20 5 EDBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000269647343 443377694 /nfs/dbraw/zinc/37/76/94/443377694.db2.gz LKUJCJSFDLAKFQ-RHSMWYFYSA-N 2 2 335.404 1.282 20 5 EDBDLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298041455 444395286 /nfs/dbraw/zinc/39/52/86/444395286.db2.gz HIPVKPRZICWTHE-OAHLLOKOSA-N 2 2 333.436 1.986 20 5 EDBDLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298041455 444395287 /nfs/dbraw/zinc/39/52/87/444395287.db2.gz HIPVKPRZICWTHE-OAHLLOKOSA-N 2 2 333.436 1.986 20 5 EDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[NH+](C2CC2)CC1 ZINC000619153430 450418009 /nfs/dbraw/zinc/41/80/09/450418009.db2.gz NNNGYIGAWSTXHO-UHFFFAOYSA-N 2 2 346.431 1.711 20 5 EDBDLP C[N@@H+]1CCC[C@H](N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000369359140 446101353 /nfs/dbraw/zinc/10/13/53/446101353.db2.gz PHTDGIWTHUDWRD-KRWDZBQOSA-N 2 2 348.447 1.685 20 5 EDBDLP C[N@H+]1CCC[C@H](N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000369359140 446101359 /nfs/dbraw/zinc/10/13/59/446101359.db2.gz PHTDGIWTHUDWRD-KRWDZBQOSA-N 2 2 348.447 1.685 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442769612 446959266 /nfs/dbraw/zinc/95/92/66/446959266.db2.gz VTXCJAFCWJBRFX-ONXXMXGDSA-N 2 2 348.403 1.757 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442769612 446959274 /nfs/dbraw/zinc/95/92/74/446959274.db2.gz VTXCJAFCWJBRFX-ONXXMXGDSA-N 2 2 348.403 1.757 20 5 EDBDLP CN(C)c1[nH+]cc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1C ZINC000578350682 448525560 /nfs/dbraw/zinc/52/55/60/448525560.db2.gz UDTYAOYCDRSLHW-UHFFFAOYSA-N 2 2 346.391 1.513 20 5 EDBDLP O=C(CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000520700393 448923942 /nfs/dbraw/zinc/92/39/42/448923942.db2.gz FBBIIOHSEOHADB-UHFFFAOYSA-N 2 2 344.375 1.469 20 5 EDBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548011186 448966042 /nfs/dbraw/zinc/96/60/42/448966042.db2.gz ZHQREYAMEHUQHF-GFCCVEGCSA-N 2 2 330.392 1.851 20 5 EDBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548011186 448966045 /nfs/dbraw/zinc/96/60/45/448966045.db2.gz ZHQREYAMEHUQHF-GFCCVEGCSA-N 2 2 330.392 1.851 20 5 EDBDLP C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590442351 449163609 /nfs/dbraw/zinc/16/36/09/449163609.db2.gz FMOSZNOYPALVDQ-XJKSGUPXSA-N 2 2 341.371 1.557 20 5 EDBDLP C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590442351 449163612 /nfs/dbraw/zinc/16/36/12/449163612.db2.gz FMOSZNOYPALVDQ-XJKSGUPXSA-N 2 2 341.371 1.557 20 5 EDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000596209661 449417094 /nfs/dbraw/zinc/41/70/94/449417094.db2.gz AYHIEHFODVBZNV-UHFFFAOYSA-N 2 2 337.424 1.278 20 5 EDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000596209661 449417099 /nfs/dbraw/zinc/41/70/99/449417099.db2.gz AYHIEHFODVBZNV-UHFFFAOYSA-N 2 2 337.424 1.278 20 5 EDBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989665 449985487 /nfs/dbraw/zinc/98/54/87/449985487.db2.gz YMQMNCKQYQGZDC-CQSZACIVSA-N 2 2 334.420 1.670 20 5 EDBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989665 449985491 /nfs/dbraw/zinc/98/54/91/449985491.db2.gz YMQMNCKQYQGZDC-CQSZACIVSA-N 2 2 334.420 1.670 20 5 EDBDLP Cc1noc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1[N+](=O)[O-] ZINC000595392493 450106612 /nfs/dbraw/zinc/10/66/12/450106612.db2.gz HRPVDCSYIDIVTM-YIONKMFJSA-N 2 2 349.435 1.634 20 5 EDBDLP Cc1noc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1[N+](=O)[O-] ZINC000595392493 450106614 /nfs/dbraw/zinc/10/66/14/450106614.db2.gz HRPVDCSYIDIVTM-YIONKMFJSA-N 2 2 349.435 1.634 20 5 EDBDLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000618983572 450361062 /nfs/dbraw/zinc/36/10/62/450361062.db2.gz XVYFPJSQYAURHZ-MRXNPFEDSA-N 2 2 346.431 1.681 20 5 EDBDLP O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903734630 592298004 /nfs/dbraw/zinc/29/80/04/592298004.db2.gz UDNJUVVIACJNFI-HNNXBMFYSA-N 2 2 346.431 1.742 20 5 EDBDLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000903882015 592361970 /nfs/dbraw/zinc/36/19/70/592361970.db2.gz JFSGPNRSDLSGPT-HKUYNNGSSA-N 2 2 341.411 1.884 20 5 EDBDLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000903882015 592361975 /nfs/dbraw/zinc/36/19/75/592361975.db2.gz JFSGPNRSDLSGPT-HKUYNNGSSA-N 2 2 341.411 1.884 20 5 EDBDLP C[N@@H+]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000843357575 595085972 /nfs/dbraw/zinc/08/59/72/595085972.db2.gz LCTBJPQOFCQCDK-JTQLQIEISA-N 2 2 344.774 1.031 20 5 EDBDLP C[N@H+]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000843357575 595085977 /nfs/dbraw/zinc/08/59/77/595085977.db2.gz LCTBJPQOFCQCDK-JTQLQIEISA-N 2 2 344.774 1.031 20 5 EDBDLP [NH3+][C@@H]1CC[C@H]2CN(c3cc(C[NH+]4CCOCC4)ccc3[N+](=O)[O-])C[C@H]12 ZINC000420228008 251649881 /nfs/dbraw/zinc/64/98/81/251649881.db2.gz KBDNMQVMFFSAKP-HRCADAONSA-N 2 2 346.431 1.601 20 5 EDBDLP COc1ccc(NC(=O)C[N@H+](C)CCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000124208559 222391202 /nfs/dbraw/zinc/39/12/02/222391202.db2.gz GJHXWMNHZCABLU-UHFFFAOYSA-N 2 2 347.375 1.761 20 5 EDBDLP COc1ccc(NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000124208559 222391205 /nfs/dbraw/zinc/39/12/05/222391205.db2.gz GJHXWMNHZCABLU-UHFFFAOYSA-N 2 2 347.375 1.761 20 5 EDBDLP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430644787 305061010 /nfs/dbraw/zinc/06/10/10/305061010.db2.gz ZHMKXISYTVNEKB-RYUDHWBXSA-N 2 2 336.392 1.601 20 5 EDBDLP COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430644787 305061011 /nfs/dbraw/zinc/06/10/11/305061011.db2.gz ZHMKXISYTVNEKB-RYUDHWBXSA-N 2 2 336.392 1.601 20 5 EDBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000432077559 305086818 /nfs/dbraw/zinc/08/68/18/305086818.db2.gz JOUDQFOQLQAYGJ-CYBMUJFWSA-N 2 2 330.392 1.814 20 5 EDBDLP CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC[NH+](C)CC1 ZINC000448553558 305298182 /nfs/dbraw/zinc/29/81/82/305298182.db2.gz CHQOOHFXJVAZAQ-UHFFFAOYSA-N 2 2 343.387 1.947 20 5 EDBDLP CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448893125 305302929 /nfs/dbraw/zinc/30/29/29/305302929.db2.gz BFAYCSGCQNWTSA-UHFFFAOYSA-N 2 2 343.387 1.948 20 5 EDBDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000267000259 443311176 /nfs/dbraw/zinc/31/11/76/443311176.db2.gz CNBWUSNDVNFZOH-MRXNPFEDSA-N 2 2 336.411 1.946 20 5 EDBDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000267000259 443311177 /nfs/dbraw/zinc/31/11/77/443311177.db2.gz CNBWUSNDVNFZOH-MRXNPFEDSA-N 2 2 336.411 1.946 20 5 EDBDLP C[C@H](CC[NH+](C)C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000264909899 443472453 /nfs/dbraw/zinc/47/24/53/443472453.db2.gz NEJJTVOHYZLZDD-GFCCVEGCSA-N 2 2 331.376 1.851 20 5 EDBDLP C[C@]1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000273033081 443524869 /nfs/dbraw/zinc/52/48/69/443524869.db2.gz SNXTXJUIQJQBCI-KRWDZBQOSA-N 2 2 343.387 1.900 20 5 EDBDLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000296068356 444202435 /nfs/dbraw/zinc/20/24/35/444202435.db2.gz VDHSPZBOIHODGC-CQSZACIVSA-N 2 2 346.391 1.406 20 5 EDBDLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000296068356 444202436 /nfs/dbraw/zinc/20/24/36/444202436.db2.gz VDHSPZBOIHODGC-CQSZACIVSA-N 2 2 346.391 1.406 20 5 EDBDLP C[C@H]1[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343483373 445231594 /nfs/dbraw/zinc/23/15/94/445231594.db2.gz DRFZTRLVBUGIHE-GXTWGEPZSA-N 2 2 343.387 1.993 20 5 EDBDLP C[C@H]1[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343483373 445231595 /nfs/dbraw/zinc/23/15/95/445231595.db2.gz DRFZTRLVBUGIHE-GXTWGEPZSA-N 2 2 343.387 1.993 20 5 EDBDLP O=C1[C@H]([N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000357070323 445406251 /nfs/dbraw/zinc/40/62/51/445406251.db2.gz ATINOBDPSOFFNZ-DVOMOZLQSA-N 2 2 330.388 1.241 20 5 EDBDLP O=C1[C@H]([N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000357070323 445406257 /nfs/dbraw/zinc/40/62/57/445406257.db2.gz ATINOBDPSOFFNZ-DVOMOZLQSA-N 2 2 330.388 1.241 20 5 EDBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000376229151 446391120 /nfs/dbraw/zinc/39/11/20/446391120.db2.gz WVILCJQUSJKCMO-UHFFFAOYSA-N 2 2 337.424 1.263 20 5 EDBDLP C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[N@H+](C)Cc1ccccc1 ZINC000390633266 447497032 /nfs/dbraw/zinc/49/70/32/447497032.db2.gz AYCHVQDYEHIZAA-WMLDXEAASA-N 2 2 347.419 1.262 20 5 EDBDLP C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[N@@H+](C)Cc1ccccc1 ZINC000390633266 447497034 /nfs/dbraw/zinc/49/70/34/447497034.db2.gz AYCHVQDYEHIZAA-WMLDXEAASA-N 2 2 347.419 1.262 20 5 EDBDLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000591744679 448479953 /nfs/dbraw/zinc/47/99/53/448479953.db2.gz WUMBVBPRROOEDF-IIAWOOMASA-N 2 2 337.420 1.197 20 5 EDBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000579103336 448714733 /nfs/dbraw/zinc/71/47/33/448714733.db2.gz IWSCRHWSIUVOBP-OAHLLOKOSA-N 2 2 342.359 1.128 20 5 EDBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582296670 449059707 /nfs/dbraw/zinc/05/97/07/449059707.db2.gz QVAYTNQJXXKOJZ-YUELXQCFSA-N 2 2 335.404 1.407 20 5 EDBDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582296670 449059713 /nfs/dbraw/zinc/05/97/13/449059713.db2.gz QVAYTNQJXXKOJZ-YUELXQCFSA-N 2 2 335.404 1.407 20 5 EDBDLP Cn1cc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599020030 449700220 /nfs/dbraw/zinc/70/02/20/449700220.db2.gz VTAFDBIVLNUWEQ-INIZCTEOSA-N 2 2 345.403 1.152 20 5 EDBDLP Cn1cc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599020030 449700225 /nfs/dbraw/zinc/70/02/25/449700225.db2.gz VTAFDBIVLNUWEQ-INIZCTEOSA-N 2 2 345.403 1.152 20 5 EDBDLP C[C@@H]1C[NH+](CCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000749664494 579733882 /nfs/dbraw/zinc/73/38/82/579733882.db2.gz RKMXIMVCLTVTTF-CKEIUWERSA-N 2 2 337.420 1.717 20 5 EDBDLP O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000800478014 581053805 /nfs/dbraw/zinc/05/38/05/581053805.db2.gz RUNOKFRBJFQCSZ-MAUKXSAKSA-N 2 2 349.431 1.672 20 5 EDBDLP O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000800478014 581053806 /nfs/dbraw/zinc/05/38/06/581053806.db2.gz RUNOKFRBJFQCSZ-MAUKXSAKSA-N 2 2 349.431 1.672 20 5 EDBDLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000369880422 155216473 /nfs/dbraw/zinc/21/64/73/155216473.db2.gz ALXWUOXTRVJQCD-NVXWUHKLSA-N 2 2 348.447 1.652 20 5 EDBDLP C[C@@H]([NH3+])[C@@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420188679 278313310 /nfs/dbraw/zinc/31/33/10/278313310.db2.gz OMBQBZSALJNZOQ-GDBMZVCRSA-N 2 2 348.447 1.991 20 5 EDBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000534579632 306008079 /nfs/dbraw/zinc/00/80/79/306008079.db2.gz YQVIVZAOZGHPIR-CYBMUJFWSA-N 2 2 329.360 1.417 20 5 EDBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000534579632 306008080 /nfs/dbraw/zinc/00/80/80/306008080.db2.gz YQVIVZAOZGHPIR-CYBMUJFWSA-N 2 2 329.360 1.417 20 5 EDBDLP CN(CCC[NH+](C)C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000182020462 442728965 /nfs/dbraw/zinc/72/89/65/442728965.db2.gz HRKQKYLXAMCTKB-UHFFFAOYSA-N 2 2 331.376 1.804 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000366609884 446280153 /nfs/dbraw/zinc/28/01/53/446280153.db2.gz QQNIKZXSXUWESV-QGZVFWFLSA-N 2 2 348.447 1.815 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000366609884 446280155 /nfs/dbraw/zinc/28/01/55/446280155.db2.gz QQNIKZXSXUWESV-QGZVFWFLSA-N 2 2 348.447 1.815 20 5 EDBDLP C[NH2+]C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000420285133 446451172 /nfs/dbraw/zinc/45/11/72/446451172.db2.gz DVCMUBHBIDCIIV-GFCCVEGCSA-N 2 2 336.392 1.616 20 5 EDBDLP C[NH2+]C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000420285133 446451175 /nfs/dbraw/zinc/45/11/75/446451175.db2.gz DVCMUBHBIDCIIV-GFCCVEGCSA-N 2 2 336.392 1.616 20 5 EDBDLP CC(C)[C@@](C)(C[NH3+])[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420315260 446480148 /nfs/dbraw/zinc/48/01/48/446480148.db2.gz LKMZVEOKQWJPEX-CQSZACIVSA-N 2 2 329.422 1.332 20 5 EDBDLP CO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000420314739 446480367 /nfs/dbraw/zinc/48/03/67/446480367.db2.gz WFKIECOOIKMNIJ-HUUCEWRRSA-N 2 2 336.392 1.362 20 5 EDBDLP CO[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000420314739 446480373 /nfs/dbraw/zinc/48/03/73/446480373.db2.gz WFKIECOOIKMNIJ-HUUCEWRRSA-N 2 2 336.392 1.362 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420346033 446518656 /nfs/dbraw/zinc/51/86/56/446518656.db2.gz XEQSMJREQYRUSG-RISCZKNCSA-N 2 2 334.376 1.226 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420346033 446518663 /nfs/dbraw/zinc/51/86/63/446518663.db2.gz XEQSMJREQYRUSG-RISCZKNCSA-N 2 2 334.376 1.226 20 5 EDBDLP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000566412443 448464376 /nfs/dbraw/zinc/46/43/76/448464376.db2.gz WCHWFJHEWKESEK-YPMHNXCESA-N 2 2 329.360 1.732 20 5 EDBDLP CC1([NH3+])CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000592331606 448794244 /nfs/dbraw/zinc/79/42/44/448794244.db2.gz XYIBSBLTINRNQI-UHFFFAOYSA-N 2 2 329.360 1.734 20 5 EDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000592487178 448858009 /nfs/dbraw/zinc/85/80/09/448858009.db2.gz QBTYEYUICCQRMM-SUMWQHHRSA-N 2 2 332.404 1.997 20 5 EDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000592487178 448858012 /nfs/dbraw/zinc/85/80/12/448858012.db2.gz QBTYEYUICCQRMM-SUMWQHHRSA-N 2 2 332.404 1.997 20 5 EDBDLP CNc1c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000597990457 449174707 /nfs/dbraw/zinc/17/47/07/449174707.db2.gz WLXHCNLXQLTPRR-UHFFFAOYSA-N 2 2 337.424 1.250 20 5 EDBDLP CNc1c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000597990457 449174711 /nfs/dbraw/zinc/17/47/11/449174711.db2.gz WLXHCNLXQLTPRR-UHFFFAOYSA-N 2 2 337.424 1.250 20 5 EDBDLP O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)nc1 ZINC000597013366 449767359 /nfs/dbraw/zinc/76/73/59/449767359.db2.gz IZANIOWLGSTYGP-LBPRGKRZSA-N 2 2 328.376 1.819 20 5 EDBDLP O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)nc1 ZINC000597013366 449767368 /nfs/dbraw/zinc/76/73/68/449767368.db2.gz IZANIOWLGSTYGP-LBPRGKRZSA-N 2 2 328.376 1.819 20 5 EDBDLP Cc1c(NC(=O)CC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cccc1[N+](=O)[O-] ZINC000601328333 449836610 /nfs/dbraw/zinc/83/66/10/449836610.db2.gz MCHUBOHQTUWIQH-DYVFJYSZSA-N 2 2 332.404 1.964 20 5 EDBDLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776592175 580423102 /nfs/dbraw/zinc/42/31/02/580423102.db2.gz ZUDMDJFKNSNTBC-OAHLLOKOSA-N 2 2 331.376 1.184 20 5 EDBDLP C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000843347955 595082446 /nfs/dbraw/zinc/08/24/46/595082446.db2.gz ZHBDCNYHRAAPCB-UHFFFAOYSA-N 2 2 326.784 1.871 20 5 EDBDLP C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000843347955 595082449 /nfs/dbraw/zinc/08/24/49/595082449.db2.gz ZHBDCNYHRAAPCB-UHFFFAOYSA-N 2 2 326.784 1.871 20 5 EDBDLP O=C(CC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000866724774 596311208 /nfs/dbraw/zinc/31/12/08/596311208.db2.gz OTMACLAGXNMONT-DZGCQCFKSA-N 2 2 336.367 1.889 20 5 EDBDLP O=C(CC[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000866724774 596311210 /nfs/dbraw/zinc/31/12/10/596311210.db2.gz OTMACLAGXNMONT-DZGCQCFKSA-N 2 2 336.367 1.889 20 5 EDBDLP CC1([NH+]2CCC2)CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000880471222 597940434 /nfs/dbraw/zinc/94/04/34/597940434.db2.gz XKOZSZXMRDREFD-MRXNPFEDSA-N 2 2 349.431 1.895 20 5 EDBDLP C[C@H]1C[C@H](C[NH3+])CN1c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000420223207 291122302 /nfs/dbraw/zinc/12/23/02/291122302.db2.gz ZPKPIVSHZBPBPN-DZGCQCFKSA-N 2 2 334.420 1.601 20 5 EDBDLP C[NH2+]C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000237152197 139042367 /nfs/dbraw/zinc/04/23/67/139042367.db2.gz SFRIOPSMCPVEFJ-UHFFFAOYSA-N 2 2 329.360 1.605 20 5 EDBDLP COCC[NH2+]CCN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423322772 252045327 /nfs/dbraw/zinc/04/53/27/252045327.db2.gz GYDBNELBPOBNQC-HNNXBMFYSA-N 2 2 333.392 1.243 20 5 EDBDLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278902440 273269336 /nfs/dbraw/zinc/26/93/36/273269336.db2.gz ZNBKNSINGFHYLD-DLBZAZTESA-N 2 2 346.431 1.902 20 5 EDBDLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278902440 273269338 /nfs/dbraw/zinc/26/93/38/273269338.db2.gz ZNBKNSINGFHYLD-DLBZAZTESA-N 2 2 346.431 1.902 20 5 EDBDLP C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@@H](C)[NH+]1C ZINC000338794167 288257314 /nfs/dbraw/zinc/25/73/14/288257314.db2.gz KVDKARVGTKBVEG-HUUCEWRRSA-N 2 2 348.447 1.956 20 5 EDBDLP O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000292976720 289489326 /nfs/dbraw/zinc/48/93/26/289489326.db2.gz AZICIEVUBPBQNM-UHFFFAOYSA-N 2 2 343.387 1.639 20 5 EDBDLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@@H]12 ZINC000351476536 295323249 /nfs/dbraw/zinc/32/32/49/295323249.db2.gz LAHOEYFIZSAGOT-NWANDNLSSA-N 2 2 330.388 1.153 20 5 EDBDLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@@H]12 ZINC000351476536 295323250 /nfs/dbraw/zinc/32/32/50/295323250.db2.gz LAHOEYFIZSAGOT-NWANDNLSSA-N 2 2 330.388 1.153 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080961628 441212366 /nfs/dbraw/zinc/21/23/66/441212366.db2.gz VNQSYZVAIYXKJT-ZFWWWQNUSA-N 2 2 346.387 1.937 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080961628 441212369 /nfs/dbraw/zinc/21/23/69/441212369.db2.gz VNQSYZVAIYXKJT-ZFWWWQNUSA-N 2 2 346.387 1.937 20 5 EDBDLP CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000170969678 442295074 /nfs/dbraw/zinc/29/50/74/442295074.db2.gz NZVNNPIOMYMUSD-ZDUSSCGKSA-N 2 2 343.387 1.852 20 5 EDBDLP CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000170969678 442295075 /nfs/dbraw/zinc/29/50/75/442295075.db2.gz NZVNNPIOMYMUSD-ZDUSSCGKSA-N 2 2 343.387 1.852 20 5 EDBDLP [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C[C@@H]12 ZINC000185088421 443133976 /nfs/dbraw/zinc/13/39/76/443133976.db2.gz RHNDIZXGWGGUBL-MCIONIFRSA-N 2 2 341.371 1.590 20 5 EDBDLP Cn1c[nH+]cc1CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000459382137 320347850 /nfs/dbraw/zinc/34/78/50/320347850.db2.gz SIKARQCZGQDUPH-UHFFFAOYSA-N 2 2 343.387 1.329 20 5 EDBDLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000299553319 444078017 /nfs/dbraw/zinc/07/80/17/444078017.db2.gz LKQIUNXFZQHNOK-UHFFFAOYSA-N 2 2 334.420 1.998 20 5 EDBDLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000299553319 444078021 /nfs/dbraw/zinc/07/80/21/444078021.db2.gz LKQIUNXFZQHNOK-UHFFFAOYSA-N 2 2 334.420 1.998 20 5 EDBDLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000338269935 444600693 /nfs/dbraw/zinc/60/06/93/444600693.db2.gz IRBDGEISAFSQIE-UHFFFAOYSA-N 2 2 332.404 1.117 20 5 EDBDLP C[NH+]1CCN(C(=O)CC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000338269935 444600698 /nfs/dbraw/zinc/60/06/98/444600698.db2.gz IRBDGEISAFSQIE-UHFFFAOYSA-N 2 2 332.404 1.117 20 5 EDBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000369267763 446032623 /nfs/dbraw/zinc/03/26/23/446032623.db2.gz QCXDOTKZNVQXPW-OAHLLOKOSA-N 2 2 346.431 1.422 20 5 EDBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000369267763 446032628 /nfs/dbraw/zinc/03/26/28/446032628.db2.gz QCXDOTKZNVQXPW-OAHLLOKOSA-N 2 2 346.431 1.422 20 5 EDBDLP COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000442766934 446960310 /nfs/dbraw/zinc/96/03/10/446960310.db2.gz XQVOJHOWQUOQTM-SRVKXCTJSA-N 2 2 336.392 1.600 20 5 EDBDLP COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000442766934 446960318 /nfs/dbraw/zinc/96/03/18/446960318.db2.gz XQVOJHOWQUOQTM-SRVKXCTJSA-N 2 2 336.392 1.600 20 5 EDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591447825 448365903 /nfs/dbraw/zinc/36/59/03/448365903.db2.gz AHMQJKOGWCITSV-CZUORRHYSA-N 2 2 332.404 1.916 20 5 EDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591447825 448365908 /nfs/dbraw/zinc/36/59/08/448365908.db2.gz AHMQJKOGWCITSV-CZUORRHYSA-N 2 2 332.404 1.916 20 5 EDBDLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591347917 448334580 /nfs/dbraw/zinc/33/45/80/448334580.db2.gz CUMYGEMEEOEXEQ-QGZVFWFLSA-N 2 2 346.431 1.726 20 5 EDBDLP CCc1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000597989297 449173907 /nfs/dbraw/zinc/17/39/07/449173907.db2.gz BVONNUYGKHQVTO-UHFFFAOYSA-N 2 2 336.436 1.771 20 5 EDBDLP CCc1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000597989297 449173910 /nfs/dbraw/zinc/17/39/10/449173910.db2.gz BVONNUYGKHQVTO-UHFFFAOYSA-N 2 2 336.436 1.771 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000595911988 449249341 /nfs/dbraw/zinc/24/93/41/449249341.db2.gz XOHGYZWBJVTRQI-UHFFFAOYSA-N 2 2 334.376 1.355 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000595911988 449249342 /nfs/dbraw/zinc/24/93/42/449249342.db2.gz XOHGYZWBJVTRQI-UHFFFAOYSA-N 2 2 334.376 1.355 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600758207 449537917 /nfs/dbraw/zinc/53/79/17/449537917.db2.gz WNDWCVLZTSLZTB-HZPDHXFCSA-N 2 2 349.431 1.941 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000600758207 449537923 /nfs/dbraw/zinc/53/79/23/449537923.db2.gz WNDWCVLZTSLZTB-HZPDHXFCSA-N 2 2 349.431 1.941 20 5 EDBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000600714138 449512425 /nfs/dbraw/zinc/51/24/25/449512425.db2.gz PRSXGFXNWRZWRA-AWEZNQCLSA-N 2 2 347.419 1.299 20 5 EDBDLP C[C@H]1CC[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[NH2+]1 ZINC000600954522 449615410 /nfs/dbraw/zinc/61/54/10/449615410.db2.gz DNUBHHZXNZFYGN-DZGCQCFKSA-N 2 2 334.420 1.979 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000595016729 449842364 /nfs/dbraw/zinc/84/23/64/449842364.db2.gz RZFIIHBADHWAEE-LBPRGKRZSA-N 2 2 336.392 1.028 20 5 EDBDLP O=C(NCCC1CC[NH2+]CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000593918842 490994935 /nfs/dbraw/zinc/99/49/35/490994935.db2.gz KNHADNCWDDHDGY-UHFFFAOYSA-N 2 2 343.387 1.900 20 5 EDBDLP C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000742197318 579439711 /nfs/dbraw/zinc/43/97/11/579439711.db2.gz VLVVFWGBLFJCHY-LBPRGKRZSA-N 2 2 329.360 1.557 20 5 EDBDLP C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000742197318 579439712 /nfs/dbraw/zinc/43/97/12/579439712.db2.gz VLVVFWGBLFJCHY-LBPRGKRZSA-N 2 2 329.360 1.557 20 5 EDBDLP O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000776590133 580422879 /nfs/dbraw/zinc/42/28/79/580422879.db2.gz YKGPAQWFIAXZPD-RHSMWYFYSA-N 2 2 335.404 1.282 20 5 EDBDLP O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000776590133 580422880 /nfs/dbraw/zinc/42/28/80/580422880.db2.gz YKGPAQWFIAXZPD-RHSMWYFYSA-N 2 2 335.404 1.282 20 5 EDBDLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000843355950 595085091 /nfs/dbraw/zinc/08/50/91/595085091.db2.gz OAHJMOFUCIIXBM-CQSZACIVSA-N 2 2 326.784 1.904 20 5 EDBDLP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC000866722250 596310120 /nfs/dbraw/zinc/31/01/20/596310120.db2.gz WJLTUDPIPMWVPU-DZGCQCFKSA-N 2 2 348.403 1.758 20 5 EDBDLP COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC000866722250 596310125 /nfs/dbraw/zinc/31/01/25/596310125.db2.gz WJLTUDPIPMWVPU-DZGCQCFKSA-N 2 2 348.403 1.758 20 5 EDBDLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000562478457 306299720 /nfs/dbraw/zinc/29/97/20/306299720.db2.gz HNJWCJDCYWGNJZ-DZGCQCFKSA-N 2 2 325.409 1.493 20 5 EDBDLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000562478457 306299721 /nfs/dbraw/zinc/29/97/21/306299721.db2.gz HNJWCJDCYWGNJZ-DZGCQCFKSA-N 2 2 325.409 1.493 20 5 EDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1 ZINC000261847540 139231083 /nfs/dbraw/zinc/23/10/83/139231083.db2.gz WXWNIUZNTFSGBM-UHFFFAOYSA-N 2 2 342.403 1.669 20 5 EDBDLP CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378144301 158091297 /nfs/dbraw/zinc/09/12/97/158091297.db2.gz TWWDYLJUUNHRMD-HNNXBMFYSA-N 2 2 347.419 1.230 20 5 EDBDLP CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378144301 158091300 /nfs/dbraw/zinc/09/13/00/158091300.db2.gz TWWDYLJUUNHRMD-HNNXBMFYSA-N 2 2 347.419 1.230 20 5 EDBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000536069266 306019277 /nfs/dbraw/zinc/01/92/77/306019277.db2.gz YIIBCZBWZSFOLM-DZGCQCFKSA-N 2 2 346.387 1.558 20 5 EDBDLP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1[N+](=O)[O-] ZINC000046599379 441115169 /nfs/dbraw/zinc/11/51/69/441115169.db2.gz ABQTVVKZFGALSY-UHFFFAOYSA-N 2 2 346.431 1.770 20 5 EDBDLP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1[N+](=O)[O-] ZINC000046599379 441115174 /nfs/dbraw/zinc/11/51/74/441115174.db2.gz ABQTVVKZFGALSY-UHFFFAOYSA-N 2 2 346.431 1.770 20 5 EDBDLP C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000108339735 441447474 /nfs/dbraw/zinc/44/74/74/441447474.db2.gz RGMISYWZXMUSCH-ZDUSSCGKSA-N 2 2 343.387 1.852 20 5 EDBDLP C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000108339735 441447479 /nfs/dbraw/zinc/44/74/79/441447479.db2.gz RGMISYWZXMUSCH-ZDUSSCGKSA-N 2 2 343.387 1.852 20 5 EDBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000282419706 443333863 /nfs/dbraw/zinc/33/38/63/443333863.db2.gz YNZBQAIUAIDIKM-MAUKXSAKSA-N 2 2 349.431 1.672 20 5 EDBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000282419706 443333865 /nfs/dbraw/zinc/33/38/65/443333865.db2.gz YNZBQAIUAIDIKM-MAUKXSAKSA-N 2 2 349.431 1.672 20 5 EDBDLP COCC[NH2+]CCN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423317385 319763722 /nfs/dbraw/zinc/76/37/22/319763722.db2.gz AXLDZIFSSFZQRT-OAHLLOKOSA-N 2 2 333.392 1.243 20 5 EDBDLP CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000359201860 446030636 /nfs/dbraw/zinc/03/06/36/446030636.db2.gz BCYNWRVPJJSQDJ-AWEZNQCLSA-N 2 2 343.387 1.995 20 5 EDBDLP CCc1cc(NC[C@H]2C[NH2+]CCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420272504 446443900 /nfs/dbraw/zinc/44/39/00/446443900.db2.gz CMWAGLNUNVNEKK-OAHLLOKOSA-N 2 2 343.387 1.436 20 5 EDBDLP C[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420280474 446448096 /nfs/dbraw/zinc/44/80/96/446448096.db2.gz LHKJSFVNXGUWPL-GDBMZVCRSA-N 2 2 348.447 1.848 20 5 EDBDLP COc1ccc(NC(=O)CC[N@@H+]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1 ZINC000590598839 449212164 /nfs/dbraw/zinc/21/21/64/449212164.db2.gz CBUYBAVFGRKZEB-UHFFFAOYSA-N 2 2 345.359 1.713 20 5 EDBDLP COc1ccc(NC(=O)CC[N@H+]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1 ZINC000590598839 449212170 /nfs/dbraw/zinc/21/21/70/449212170.db2.gz CBUYBAVFGRKZEB-UHFFFAOYSA-N 2 2 345.359 1.713 20 5 EDBDLP CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598536663 449452807 /nfs/dbraw/zinc/45/28/07/449452807.db2.gz VRXJWGQBLOSFSO-GXTWGEPZSA-N 2 2 343.387 1.993 20 5 EDBDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000600773464 449542285 /nfs/dbraw/zinc/54/22/85/449542285.db2.gz IHKYLKYAKMKJST-QWHCGFSZSA-N 2 2 337.376 1.377 20 5 EDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000596639808 449581023 /nfs/dbraw/zinc/58/10/23/449581023.db2.gz ZXVSPUJXAUEKLR-UHFFFAOYSA-N 2 2 337.424 1.908 20 5 EDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000596639808 449581027 /nfs/dbraw/zinc/58/10/27/449581027.db2.gz ZXVSPUJXAUEKLR-UHFFFAOYSA-N 2 2 337.424 1.908 20 5 EDBDLP CN(C)C(=O)C[NH+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601100499 449689131 /nfs/dbraw/zinc/68/91/31/449689131.db2.gz MKYUKAYXCFFFEU-UHFFFAOYSA-N 2 2 343.387 1.353 20 5 EDBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000602840154 449847940 /nfs/dbraw/zinc/84/79/40/449847940.db2.gz JMZPGCUYLLZTCL-UHFFFAOYSA-N 2 2 339.440 1.172 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000595487987 450179387 /nfs/dbraw/zinc/17/93/87/450179387.db2.gz AMUWRMSBRHAFGD-UHFFFAOYSA-N 2 2 345.359 1.644 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000595487987 450179392 /nfs/dbraw/zinc/17/93/92/450179392.db2.gz AMUWRMSBRHAFGD-UHFFFAOYSA-N 2 2 345.359 1.644 20 5 EDBDLP O=C(NC[C@H]1CCCC[NH2+]1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000237985089 491009786 /nfs/dbraw/zinc/00/97/86/491009786.db2.gz LXWNPVHEIBVITE-CYBMUJFWSA-N 2 2 329.360 1.652 20 5 EDBDLP C[NH+]1CC[C@H]1CNc1nc(NC[C@@H]2CC[N@H+]2C)sc1[N+](=O)[O-] ZINC000895771684 591270182 /nfs/dbraw/zinc/27/01/82/591270182.db2.gz OTKZGMOHKRCPPK-UWVGGRQHSA-N 2 2 326.426 1.283 20 5 EDBDLP C[NH+]1CC[C@H]1CNc1nc(NC[C@@H]2CC[N@@H+]2C)sc1[N+](=O)[O-] ZINC000895771684 591270184 /nfs/dbraw/zinc/27/01/84/591270184.db2.gz OTKZGMOHKRCPPK-UWVGGRQHSA-N 2 2 326.426 1.283 20 5 EDBDLP C[NH+]1CC[C@H]1CNc1nc(NC[C@@H]2CC[N@@H+]2C)c([N+](=O)[O-])s1 ZINC000895771684 591270185 /nfs/dbraw/zinc/27/01/85/591270185.db2.gz OTKZGMOHKRCPPK-UWVGGRQHSA-N 2 2 326.426 1.283 20 5 EDBDLP C[NH+]1CC[C@H]1CNc1nc(NC[C@@H]2CC[N@H+]2C)c([N+](=O)[O-])s1 ZINC000895771684 591270187 /nfs/dbraw/zinc/27/01/87/591270187.db2.gz OTKZGMOHKRCPPK-UWVGGRQHSA-N 2 2 326.426 1.283 20 5 EDBDLP Cn1cc[nH+]c1[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000902463754 592000589 /nfs/dbraw/zinc/00/05/89/592000589.db2.gz BPFJWTSABZGKMF-LCGIIJARSA-N 2 2 327.388 1.900 20 5 EDBDLP Cn1cc[nH+]c1[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000902469089 592001001 /nfs/dbraw/zinc/00/10/01/592001001.db2.gz PGEJFMPGVYCAHE-LCGIIJARSA-N 2 2 327.388 1.900 20 5 EDBDLP C[NH+](C)Cc1csc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000905528085 592562571 /nfs/dbraw/zinc/56/25/71/592562571.db2.gz DEMAGMZIXWDRTM-CQSZACIVSA-N 2 2 336.417 1.936 20 5 EDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000905618220 592595450 /nfs/dbraw/zinc/59/54/50/592595450.db2.gz HLFIAXOZSSRVBN-IRXDYDNUSA-N 2 2 335.404 1.471 20 5 EDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)c1 ZINC000905618220 592595453 /nfs/dbraw/zinc/59/54/53/592595453.db2.gz HLFIAXOZSSRVBN-IRXDYDNUSA-N 2 2 335.404 1.471 20 5 EDBDLP COc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000906517823 592839082 /nfs/dbraw/zinc/83/90/82/592839082.db2.gz SWLWJQKQCDOTST-MGCOHNPYSA-N 2 2 331.319 1.827 20 5 EDBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C2)CC1 ZINC000823282415 594179903 /nfs/dbraw/zinc/17/99/03/594179903.db2.gz PFWPMNJORFAENN-CYBMUJFWSA-N 2 2 326.441 1.107 20 5 EDBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C2)CC1 ZINC000823282415 594179905 /nfs/dbraw/zinc/17/99/05/594179905.db2.gz PFWPMNJORFAENN-CYBMUJFWSA-N 2 2 326.441 1.107 20 5 EDBDLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000843355891 595085685 /nfs/dbraw/zinc/08/56/85/595085685.db2.gz LNLBMSICBJNTAM-HZMBPMFUSA-N 2 2 340.355 1.111 20 5 EDBDLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000843355891 595085689 /nfs/dbraw/zinc/08/56/89/595085689.db2.gz LNLBMSICBJNTAM-HZMBPMFUSA-N 2 2 340.355 1.111 20 5 EDBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339043401 282225592 /nfs/dbraw/zinc/22/55/92/282225592.db2.gz FWOHADSENHWQSW-COXVUDFISA-N 2 2 335.404 1.984 20 5 EDBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339043401 282225600 /nfs/dbraw/zinc/22/56/00/282225600.db2.gz FWOHADSENHWQSW-COXVUDFISA-N 2 2 335.404 1.984 20 5 EDBDLP CCC[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000068240268 215293354 /nfs/dbraw/zinc/29/33/54/215293354.db2.gz MXMKYGYTFVATKH-UHFFFAOYSA-N 2 2 343.387 1.948 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261745243 139222432 /nfs/dbraw/zinc/22/24/32/139222432.db2.gz PQFZSHAJVCUWEK-BZNIZROVSA-N 2 2 336.392 1.601 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261745243 139222433 /nfs/dbraw/zinc/22/24/33/139222433.db2.gz PQFZSHAJVCUWEK-BZNIZROVSA-N 2 2 336.392 1.601 20 5 EDBDLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000262815003 139305622 /nfs/dbraw/zinc/30/56/22/139305622.db2.gz PBPWNDZLUIYSLT-AAEUAGOBSA-N 2 2 329.360 1.508 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000374202166 157190919 /nfs/dbraw/zinc/19/09/19/157190919.db2.gz ZWVQUXVZKQOKNX-HNNXBMFYSA-N 2 2 346.387 1.937 20 5 EDBDLP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000366518251 277186311 /nfs/dbraw/zinc/18/63/11/277186311.db2.gz IAMVEZKHGOSUGM-AEFFLSMTSA-N 2 2 344.415 1.728 20 5 EDBDLP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000366518251 277186313 /nfs/dbraw/zinc/18/63/13/277186313.db2.gz IAMVEZKHGOSUGM-AEFFLSMTSA-N 2 2 344.415 1.728 20 5 EDBDLP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000366518251 277186314 /nfs/dbraw/zinc/18/63/14/277186314.db2.gz IAMVEZKHGOSUGM-AEFFLSMTSA-N 2 2 344.415 1.728 20 5 EDBDLP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000366518251 277186315 /nfs/dbraw/zinc/18/63/15/277186315.db2.gz IAMVEZKHGOSUGM-AEFFLSMTSA-N 2 2 344.415 1.728 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430610699 305058874 /nfs/dbraw/zinc/05/88/74/305058874.db2.gz LKJYYLBNCBZVOI-NWDGAFQWSA-N 2 2 336.392 1.601 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430610699 305058875 /nfs/dbraw/zinc/05/88/75/305058875.db2.gz LKJYYLBNCBZVOI-NWDGAFQWSA-N 2 2 336.392 1.601 20 5 EDBDLP C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448947622 305305372 /nfs/dbraw/zinc/30/53/72/305305372.db2.gz YTSVUSPLLXYVHD-LBPRGKRZSA-N 2 2 329.360 1.557 20 5 EDBDLP C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448947622 305305373 /nfs/dbraw/zinc/30/53/73/305305373.db2.gz YTSVUSPLLXYVHD-LBPRGKRZSA-N 2 2 329.360 1.557 20 5 EDBDLP Cn1ccnc1[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000552280446 306178558 /nfs/dbraw/zinc/17/85/58/306178558.db2.gz HJLZSHVYXMRISZ-INIZCTEOSA-N 2 2 340.387 1.984 20 5 EDBDLP CN(C)c1nc(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000134142663 442452852 /nfs/dbraw/zinc/45/28/52/442452852.db2.gz SJMLCNVMKVKDGM-UHFFFAOYSA-N 2 2 342.403 1.773 20 5 EDBDLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298171814 318797129 /nfs/dbraw/zinc/79/71/29/318797129.db2.gz UKIYNCPNRZTCJC-UHFFFAOYSA-N 2 2 330.392 1.707 20 5 EDBDLP C[NH+](C)CCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000264864791 443458242 /nfs/dbraw/zinc/45/82/42/443458242.db2.gz FRUJWXQXZQJTEK-UHFFFAOYSA-N 2 2 331.376 1.852 20 5 EDBDLP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339036797 445000947 /nfs/dbraw/zinc/00/09/47/445000947.db2.gz QLDBGNZLVYZMFF-ZDUSSCGKSA-N 2 2 337.420 1.825 20 5 EDBDLP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339036797 445000952 /nfs/dbraw/zinc/00/09/52/445000952.db2.gz QLDBGNZLVYZMFF-ZDUSSCGKSA-N 2 2 337.420 1.825 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342099473 445171358 /nfs/dbraw/zinc/17/13/58/445171358.db2.gz JSPXBBGAMDGYJW-UBHSHLNASA-N 2 2 348.403 1.601 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342099473 445171360 /nfs/dbraw/zinc/17/13/60/445171360.db2.gz JSPXBBGAMDGYJW-UBHSHLNASA-N 2 2 348.403 1.601 20 5 EDBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362827403 445569003 /nfs/dbraw/zinc/56/90/03/445569003.db2.gz TYTIUYJWGDMWQZ-CJNGLKHVSA-N 2 2 332.404 1.552 20 5 EDBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362827403 445569006 /nfs/dbraw/zinc/56/90/06/445569006.db2.gz TYTIUYJWGDMWQZ-CJNGLKHVSA-N 2 2 332.404 1.552 20 5 EDBDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1 ZINC000366479202 446231007 /nfs/dbraw/zinc/23/10/07/446231007.db2.gz GTADOYMPAJCTEQ-KRWDZBQOSA-N 2 2 333.388 1.989 20 5 EDBDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1 ZINC000366479202 446231009 /nfs/dbraw/zinc/23/10/09/446231009.db2.gz GTADOYMPAJCTEQ-KRWDZBQOSA-N 2 2 333.388 1.989 20 5 EDBDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1 ZINC000366479202 446231012 /nfs/dbraw/zinc/23/10/12/446231012.db2.gz GTADOYMPAJCTEQ-KRWDZBQOSA-N 2 2 333.388 1.989 20 5 EDBDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1 ZINC000366479202 446231013 /nfs/dbraw/zinc/23/10/13/446231013.db2.gz GTADOYMPAJCTEQ-KRWDZBQOSA-N 2 2 333.388 1.989 20 5 EDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000420254347 446434418 /nfs/dbraw/zinc/43/44/18/446434418.db2.gz CZWYRMVSRKQWJF-JKSUJKDBSA-N 2 2 346.431 1.615 20 5 EDBDLP O=[N+]([O-])c1ccccc1C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000368681123 447030677 /nfs/dbraw/zinc/03/06/77/447030677.db2.gz UCWWZYIFDFNCSX-UHFFFAOYSA-N 2 2 335.404 1.254 20 5 EDBDLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000430566590 447780774 /nfs/dbraw/zinc/78/07/74/447780774.db2.gz DASRUPIRKXUCGO-OAHLLOKOSA-N 2 2 338.364 1.225 20 5 EDBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000532514545 448268055 /nfs/dbraw/zinc/26/80/55/448268055.db2.gz UNFSEQIOMCUJJG-CZUORRHYSA-N 2 2 334.420 1.894 20 5 EDBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000532514543 448268299 /nfs/dbraw/zinc/26/82/99/448268299.db2.gz UNFSEQIOMCUJJG-BBRMVZONSA-N 2 2 334.420 1.894 20 5 EDBDLP O=C1[C@@H]([N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000574812876 448962733 /nfs/dbraw/zinc/96/27/33/448962733.db2.gz KSPNHMHYEIZIGB-FUHWJXTLSA-N 2 2 344.415 1.776 20 5 EDBDLP O=C1[C@@H]([N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000574812876 448962736 /nfs/dbraw/zinc/96/27/36/448962736.db2.gz KSPNHMHYEIZIGB-FUHWJXTLSA-N 2 2 344.415 1.776 20 5 EDBDLP COC(=O)COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000575133907 449044148 /nfs/dbraw/zinc/04/41/48/449044148.db2.gz ANMQDURMIIEMLO-WCQYABFASA-N 2 2 337.376 1.458 20 5 EDBDLP COC(=O)COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000575133907 449044153 /nfs/dbraw/zinc/04/41/53/449044153.db2.gz ANMQDURMIIEMLO-WCQYABFASA-N 2 2 337.376 1.458 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000612030434 449527979 /nfs/dbraw/zinc/52/79/79/449527979.db2.gz HDILVIJBGVJZRW-GJZGRUSLSA-N 2 2 346.387 1.868 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000612030434 449527984 /nfs/dbraw/zinc/52/79/84/449527984.db2.gz HDILVIJBGVJZRW-GJZGRUSLSA-N 2 2 346.387 1.868 20 5 EDBDLP O=C(CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000601333364 449841265 /nfs/dbraw/zinc/84/12/65/449841265.db2.gz CQRVCWFCKHBLIF-UKRRQHHQSA-N 2 2 332.404 1.997 20 5 EDBDLP O=C(CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000601333364 449841271 /nfs/dbraw/zinc/84/12/71/449841271.db2.gz CQRVCWFCKHBLIF-UKRRQHHQSA-N 2 2 332.404 1.997 20 5 EDBDLP C[NH2+][C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000261790623 536361708 /nfs/dbraw/zinc/36/17/08/536361708.db2.gz QHZIHIIHFGQZJV-GFCCVEGCSA-N 2 2 336.392 1.616 20 5 EDBDLP C[NH2+][C@@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000261790623 536361712 /nfs/dbraw/zinc/36/17/12/536361712.db2.gz QHZIHIIHFGQZJV-GFCCVEGCSA-N 2 2 336.392 1.616 20 5 EDBDLP C[NH2+][C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000261703237 536412598 /nfs/dbraw/zinc/41/25/98/536412598.db2.gz GJWNTFZFPKXZNH-LBPRGKRZSA-N 2 2 336.392 1.616 20 5 EDBDLP C[NH2+][C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000261703237 536412600 /nfs/dbraw/zinc/41/26/00/536412600.db2.gz GJWNTFZFPKXZNH-LBPRGKRZSA-N 2 2 336.392 1.616 20 5 EDBDLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000742197315 579439767 /nfs/dbraw/zinc/43/97/67/579439767.db2.gz VLVVFWGBLFJCHY-GFCCVEGCSA-N 2 2 329.360 1.557 20 5 EDBDLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000742197315 579439768 /nfs/dbraw/zinc/43/97/68/579439768.db2.gz VLVVFWGBLFJCHY-GFCCVEGCSA-N 2 2 329.360 1.557 20 5 EDBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000905618823 592595677 /nfs/dbraw/zinc/59/56/77/592595677.db2.gz JMTQFNRBPRLJFS-DLBZAZTESA-N 2 2 335.404 1.471 20 5 EDBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000905618823 592595680 /nfs/dbraw/zinc/59/56/80/592595680.db2.gz JMTQFNRBPRLJFS-DLBZAZTESA-N 2 2 335.404 1.471 20 5 EDBDLP C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855414713 595704459 /nfs/dbraw/zinc/70/44/59/595704459.db2.gz JXUFSEPGULIPCB-PFONDFGASA-N 2 2 348.447 1.998 20 5 EDBDLP C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855414713 595704460 /nfs/dbraw/zinc/70/44/60/595704460.db2.gz JXUFSEPGULIPCB-PFONDFGASA-N 2 2 348.447 1.998 20 5 EDBDLP CC(C)[NH2+]C1(CO)CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000563361869 306329924 /nfs/dbraw/zinc/32/99/24/306329924.db2.gz SSWREILGZDJXCT-UHFFFAOYSA-N 2 2 337.420 1.799 20 5 EDBDLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000369880421 155216219 /nfs/dbraw/zinc/21/62/19/155216219.db2.gz ALXWUOXTRVJQCD-DOTOQJQBSA-N 2 2 348.447 1.652 20 5 EDBDLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000430567724 305056095 /nfs/dbraw/zinc/05/60/95/305056095.db2.gz GDBSRAQHMSYCEJ-GXTWGEPZSA-N 2 2 332.404 1.543 20 5 EDBDLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000430567724 305056096 /nfs/dbraw/zinc/05/60/96/305056096.db2.gz GDBSRAQHMSYCEJ-GXTWGEPZSA-N 2 2 332.404 1.543 20 5 EDBDLP O=C(NCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448707297 305301754 /nfs/dbraw/zinc/30/17/54/305301754.db2.gz JQIZCMUVNXAYSX-UHFFFAOYSA-N 2 2 343.387 1.996 20 5 EDBDLP C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H](C)[N@H+]1C ZINC000452152559 305385264 /nfs/dbraw/zinc/38/52/64/305385264.db2.gz NGVQNOCSLVHURK-BETUJISGSA-N 2 2 343.387 1.945 20 5 EDBDLP C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H](C)[N@@H+]1C ZINC000452152559 305385265 /nfs/dbraw/zinc/38/52/65/305385265.db2.gz NGVQNOCSLVHURK-BETUJISGSA-N 2 2 343.387 1.945 20 5 EDBDLP C[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000061031688 441264007 /nfs/dbraw/zinc/26/40/07/441264007.db2.gz XSCPAXFRJWEGTI-UHFFFAOYSA-N 2 2 329.360 1.605 20 5 EDBDLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000186684020 442591631 /nfs/dbraw/zinc/59/16/31/442591631.db2.gz APQGPABDQNKNNB-YPMHNXCESA-N 2 2 329.360 1.508 20 5 EDBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339043406 445005075 /nfs/dbraw/zinc/00/50/75/445005075.db2.gz FWOHADSENHWQSW-XOKHGSTOSA-N 2 2 335.404 1.984 20 5 EDBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339043406 445005078 /nfs/dbraw/zinc/00/50/78/445005078.db2.gz FWOHADSENHWQSW-XOKHGSTOSA-N 2 2 335.404 1.984 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420380325 446556062 /nfs/dbraw/zinc/55/60/62/446556062.db2.gz NUSCNCXJWKUSAN-RYUDHWBXSA-N 2 2 336.392 1.459 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420380325 446556067 /nfs/dbraw/zinc/55/60/67/446556067.db2.gz NUSCNCXJWKUSAN-RYUDHWBXSA-N 2 2 336.392 1.459 20 5 EDBDLP C[NH2+][C@@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420153277 447642434 /nfs/dbraw/zinc/64/24/34/447642434.db2.gz GBPGZCGUAIGAHA-OAHLLOKOSA-N 2 2 334.420 1.615 20 5 EDBDLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430559786 447778958 /nfs/dbraw/zinc/77/89/58/447778958.db2.gz YBEDMOYAKPXZQR-HEHGZKQESA-N 2 2 332.404 1.759 20 5 EDBDLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430559786 447778960 /nfs/dbraw/zinc/77/89/60/447778960.db2.gz YBEDMOYAKPXZQR-HEHGZKQESA-N 2 2 332.404 1.759 20 5 EDBDLP C[NH2+]C[C@H]1CCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430566628 447780743 /nfs/dbraw/zinc/78/07/43/447780743.db2.gz HGOWQMHNGLBQLV-CYBMUJFWSA-N 2 2 334.376 1.577 20 5 EDBDLP C[NH2+]C[C@H]1CCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430566628 447780744 /nfs/dbraw/zinc/78/07/44/447780744.db2.gz HGOWQMHNGLBQLV-CYBMUJFWSA-N 2 2 334.376 1.577 20 5 EDBDLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000430595027 447782815 /nfs/dbraw/zinc/78/28/15/447782815.db2.gz TUVBVMRMNJYASO-OAHLLOKOSA-N 2 2 334.420 1.789 20 5 EDBDLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000430595027 447782820 /nfs/dbraw/zinc/78/28/20/447782820.db2.gz TUVBVMRMNJYASO-OAHLLOKOSA-N 2 2 334.420 1.789 20 5 EDBDLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000584585994 448579157 /nfs/dbraw/zinc/57/91/57/448579157.db2.gz HBDXMWXKZWRIAC-HOCLYGCPSA-N 2 2 339.440 1.252 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000595908440 449245935 /nfs/dbraw/zinc/24/59/35/449245935.db2.gz IGVPJAHZHLRVGG-UHFFFAOYSA-N 2 2 334.376 1.355 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000595908440 449245940 /nfs/dbraw/zinc/24/59/40/449245940.db2.gz IGVPJAHZHLRVGG-UHFFFAOYSA-N 2 2 334.376 1.355 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000612030435 449527908 /nfs/dbraw/zinc/52/79/08/449527908.db2.gz HDILVIJBGVJZRW-HUUCEWRRSA-N 2 2 346.387 1.868 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000612030435 449527912 /nfs/dbraw/zinc/52/79/12/449527912.db2.gz HDILVIJBGVJZRW-HUUCEWRRSA-N 2 2 346.387 1.868 20 5 EDBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cn([C@@H]3CC[NH2+]C3)nn1)CCC2 ZINC000600713187 449511662 /nfs/dbraw/zinc/51/16/62/449511662.db2.gz HIGWUYXRKDFMLN-NVXWUHKLSA-N 2 2 342.403 1.888 20 5 EDBDLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962807 449964112 /nfs/dbraw/zinc/96/41/12/449964112.db2.gz PCWCMIWQJTVBIM-CVEARBPZSA-N 2 2 325.409 1.093 20 5 EDBDLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962807 449964117 /nfs/dbraw/zinc/96/41/17/449964117.db2.gz PCWCMIWQJTVBIM-CVEARBPZSA-N 2 2 325.409 1.093 20 5 EDBDLP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000597533990 450088797 /nfs/dbraw/zinc/08/87/97/450088797.db2.gz HVFHQMNFTMEANY-ZIAGYGMSSA-N 2 2 343.387 1.993 20 5 EDBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000271074678 535411464 /nfs/dbraw/zinc/41/14/64/535411464.db2.gz GEMFNGAQOPOBSQ-UKRRQHHQSA-N 2 2 336.436 1.890 20 5 EDBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000271074678 535411470 /nfs/dbraw/zinc/41/14/70/535411470.db2.gz GEMFNGAQOPOBSQ-UKRRQHHQSA-N 2 2 336.436 1.890 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261745245 139222470 /nfs/dbraw/zinc/22/24/70/139222470.db2.gz PQFZSHAJVCUWEK-ZBEGNZNMSA-N 2 2 336.392 1.601 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261745245 139222471 /nfs/dbraw/zinc/22/24/71/139222471.db2.gz PQFZSHAJVCUWEK-ZBEGNZNMSA-N 2 2 336.392 1.601 20 5 EDBDLP O=C1[C@@H]([N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000360572658 152103295 /nfs/dbraw/zinc/10/32/95/152103295.db2.gz XYBJMHOEIROAQI-RDJZCZTQSA-N 2 2 330.388 1.386 20 5 EDBDLP O=C1[C@@H]([N@H+]2CC[C@]3(CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000360572658 152103299 /nfs/dbraw/zinc/10/32/99/152103299.db2.gz XYBJMHOEIROAQI-RDJZCZTQSA-N 2 2 330.388 1.386 20 5 EDBDLP Cc1ccnc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000374256270 302272560 /nfs/dbraw/zinc/27/25/60/302272560.db2.gz NGAPTYDEVLYVBK-AWEZNQCLSA-N 2 2 333.436 1.903 20 5 EDBDLP Cc1ccnc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000374256270 302272563 /nfs/dbraw/zinc/27/25/63/302272563.db2.gz NGAPTYDEVLYVBK-AWEZNQCLSA-N 2 2 333.436 1.903 20 5 EDBDLP COC(=O)COc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000353790655 445757853 /nfs/dbraw/zinc/75/78/53/445757853.db2.gz QDTKFWYHMPYZBQ-UHFFFAOYSA-N 2 2 337.376 1.330 20 5 EDBDLP Cc1cc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000364381098 445916065 /nfs/dbraw/zinc/91/60/65/445916065.db2.gz IXYPNGSMEJCGIU-AWEZNQCLSA-N 2 2 333.436 1.903 20 5 EDBDLP Cc1cc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000364381098 445916070 /nfs/dbraw/zinc/91/60/70/445916070.db2.gz IXYPNGSMEJCGIU-AWEZNQCLSA-N 2 2 333.436 1.903 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351477896 446078469 /nfs/dbraw/zinc/07/84/69/446078469.db2.gz ODZZDBJDNNKKPJ-UHTWSYAYSA-N 2 2 334.376 1.211 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351477896 446078476 /nfs/dbraw/zinc/07/84/76/446078476.db2.gz ODZZDBJDNNKKPJ-UHTWSYAYSA-N 2 2 334.376 1.211 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351477899 446078824 /nfs/dbraw/zinc/07/88/24/446078824.db2.gz ODZZDBJDNNKKPJ-WCFLWFBJSA-N 2 2 334.376 1.211 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351477899 446078830 /nfs/dbraw/zinc/07/88/30/446078830.db2.gz ODZZDBJDNNKKPJ-WCFLWFBJSA-N 2 2 334.376 1.211 20 5 EDBDLP CC[NH+]1CCC([N@@H+]2CCCN(c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000420622552 446708154 /nfs/dbraw/zinc/70/81/54/446708154.db2.gz GASXPBNBDWJNGW-UHFFFAOYSA-N 2 2 333.436 1.986 20 5 EDBDLP CC[NH+]1CCC([N@H+]2CCCN(c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000420622552 446708157 /nfs/dbraw/zinc/70/81/57/446708157.db2.gz GASXPBNBDWJNGW-UHFFFAOYSA-N 2 2 333.436 1.986 20 5 EDBDLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575815226 447905341 /nfs/dbraw/zinc/90/53/41/447905341.db2.gz DZTLRRKWCRIVQJ-GDBMZVCRSA-N 2 2 332.404 1.512 20 5 EDBDLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575815226 447905348 /nfs/dbraw/zinc/90/53/48/447905348.db2.gz DZTLRRKWCRIVQJ-GDBMZVCRSA-N 2 2 332.404 1.512 20 5 EDBDLP CC[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000592487903 448858196 /nfs/dbraw/zinc/85/81/96/448858196.db2.gz BQMFLSOQXBINRR-SWLSCSKDSA-N 2 2 332.404 1.543 20 5 EDBDLP CC[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000592487903 448858199 /nfs/dbraw/zinc/85/81/99/448858199.db2.gz BQMFLSOQXBINRR-SWLSCSKDSA-N 2 2 332.404 1.543 20 5 EDBDLP C[NH+](C)C[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000590140626 449111792 /nfs/dbraw/zinc/11/17/92/449111792.db2.gz OLKVEHYTODWMRL-INIZCTEOSA-N 2 2 348.447 1.815 20 5 EDBDLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000593737075 449171906 /nfs/dbraw/zinc/17/19/06/449171906.db2.gz LGTXXIIKNIQWGQ-LALPHHSUSA-N 2 2 336.392 1.217 20 5 EDBDLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000593737075 449171909 /nfs/dbraw/zinc/17/19/09/449171909.db2.gz LGTXXIIKNIQWGQ-LALPHHSUSA-N 2 2 336.392 1.217 20 5 EDBDLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593736780 449170918 /nfs/dbraw/zinc/17/09/18/449170918.db2.gz IIBAFKNUXKXSSY-LALPHHSUSA-N 2 2 336.392 1.217 20 5 EDBDLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593736780 449170924 /nfs/dbraw/zinc/17/09/24/449170924.db2.gz IIBAFKNUXKXSSY-LALPHHSUSA-N 2 2 336.392 1.217 20 5 EDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593735993 449171120 /nfs/dbraw/zinc/17/11/20/449171120.db2.gz DAKISQWZSIROCZ-DCGLDWPTSA-N 2 2 332.404 1.983 20 5 EDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593735993 449171131 /nfs/dbraw/zinc/17/11/31/449171131.db2.gz DAKISQWZSIROCZ-DCGLDWPTSA-N 2 2 332.404 1.983 20 5 EDBDLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000601335682 449845252 /nfs/dbraw/zinc/84/52/52/449845252.db2.gz WXCWWDWMBNYTPF-HOCLYGCPSA-N 2 2 344.415 1.558 20 5 EDBDLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000601335682 449845256 /nfs/dbraw/zinc/84/52/56/449845256.db2.gz WXCWWDWMBNYTPF-HOCLYGCPSA-N 2 2 344.415 1.558 20 5 EDBDLP O=C(NCC[C@H]1CCC[NH2+]C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000237883162 491008954 /nfs/dbraw/zinc/00/89/54/491008954.db2.gz BZHCOPAHPUMZLF-CYBMUJFWSA-N 2 2 343.387 1.900 20 5 EDBDLP CC(C)c1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000563430417 306332837 /nfs/dbraw/zinc/33/28/37/306332837.db2.gz BEYUCZVRRBHWIK-UKRRQHHQSA-N 2 2 332.404 1.462 20 5 EDBDLP CC(C)c1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000563430417 306332838 /nfs/dbraw/zinc/33/28/38/306332838.db2.gz BEYUCZVRRBHWIK-UKRRQHHQSA-N 2 2 332.404 1.462 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261941072 139238853 /nfs/dbraw/zinc/23/88/53/139238853.db2.gz MVNASAFTLJQZLZ-XHSDSOJGSA-N 2 2 335.404 1.850 20 5 EDBDLP COc1ccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]C[C@@H]3O)o2)c([N+](=O)[O-])c1 ZINC000262065318 139247932 /nfs/dbraw/zinc/24/79/32/139247932.db2.gz AXEVLXJGQMEJPK-BZNIZROVSA-N 2 2 347.371 1.533 20 5 EDBDLP [NH3+]C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000358132082 151283155 /nfs/dbraw/zinc/28/31/55/151283155.db2.gz CRXPQHRIJRBLMP-AWEZNQCLSA-N 2 2 332.360 1.452 20 5 EDBDLP [NH3+]C[C@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000358132082 151283156 /nfs/dbraw/zinc/28/31/56/151283156.db2.gz CRXPQHRIJRBLMP-AWEZNQCLSA-N 2 2 332.360 1.452 20 5 EDBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000112921517 441568710 /nfs/dbraw/zinc/56/87/10/441568710.db2.gz JTVRETBSPFXTPA-UHFFFAOYSA-N 2 2 349.435 1.275 20 5 EDBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000112921517 441568715 /nfs/dbraw/zinc/56/87/15/441568715.db2.gz JTVRETBSPFXTPA-UHFFFAOYSA-N 2 2 349.435 1.275 20 5 EDBDLP C[NH+](C)C(C)(C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000042158610 441712520 /nfs/dbraw/zinc/71/25/20/441712520.db2.gz YCMBRHZIYLHIMK-UHFFFAOYSA-N 2 2 331.376 1.851 20 5 EDBDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000177312364 442327334 /nfs/dbraw/zinc/32/73/34/442327334.db2.gz IYLJCKCVFRUHFB-PVAVHDDUSA-N 2 2 349.431 1.893 20 5 EDBDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000177312364 442327337 /nfs/dbraw/zinc/32/73/37/442327337.db2.gz IYLJCKCVFRUHFB-PVAVHDDUSA-N 2 2 349.431 1.893 20 5 EDBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000177312364 442327340 /nfs/dbraw/zinc/32/73/40/442327340.db2.gz IYLJCKCVFRUHFB-PVAVHDDUSA-N 2 2 349.431 1.893 20 5 EDBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000177312364 442327342 /nfs/dbraw/zinc/32/73/42/442327342.db2.gz IYLJCKCVFRUHFB-PVAVHDDUSA-N 2 2 349.431 1.893 20 5 EDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC[NH+]1CCCC1 ZINC000447806333 320145432 /nfs/dbraw/zinc/14/54/32/320145432.db2.gz MLWQLDUETUGDCP-UHFFFAOYSA-N 2 2 334.420 1.935 20 5 EDBDLP Cc1ccc([C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000577172361 321629258 /nfs/dbraw/zinc/62/92/58/321629258.db2.gz REKINDABTDVNTI-DLBZAZTESA-N 2 2 347.419 1.353 20 5 EDBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000369273499 446037570 /nfs/dbraw/zinc/03/75/70/446037570.db2.gz HBIOQBVWOHOFKF-CQSZACIVSA-N 2 2 332.404 1.493 20 5 EDBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000369273499 446037578 /nfs/dbraw/zinc/03/75/78/446037578.db2.gz HBIOQBVWOHOFKF-CQSZACIVSA-N 2 2 332.404 1.493 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430578688 447780900 /nfs/dbraw/zinc/78/09/00/447780900.db2.gz FKOGSCHECLPMER-OLZOCXBDSA-N 2 2 348.403 1.758 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430578688 447780903 /nfs/dbraw/zinc/78/09/03/447780903.db2.gz FKOGSCHECLPMER-OLZOCXBDSA-N 2 2 348.403 1.758 20 5 EDBDLP [NH3+]CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)F ZINC000574517940 448892552 /nfs/dbraw/zinc/89/25/52/448892552.db2.gz QALSDAZFQXXBQJ-JTQLQIEISA-N 2 2 339.302 1.493 20 5 EDBDLP O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)nc2c1 ZINC000594615265 449595353 /nfs/dbraw/zinc/59/53/53/449595353.db2.gz QUTVHZNMJYYNBM-CQSZACIVSA-N 2 2 345.403 1.814 20 5 EDBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+](C4CC4)C3)CC2)cn1 ZINC000602543633 449663953 /nfs/dbraw/zinc/66/39/53/449663953.db2.gz DQHKWLSEMPIQGX-CQSZACIVSA-N 2 2 331.420 1.785 20 5 EDBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[N@H+](C4CC4)C3)CC2)cn1 ZINC000602543633 449663956 /nfs/dbraw/zinc/66/39/56/449663956.db2.gz DQHKWLSEMPIQGX-CQSZACIVSA-N 2 2 331.420 1.785 20 5 EDBDLP C[C@@H](CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)C[NH+]1CCOCC1 ZINC000601122508 449702405 /nfs/dbraw/zinc/70/24/05/449702405.db2.gz YDAYTTGWBXUVOY-ZDUSSCGKSA-N 2 2 330.388 1.945 20 5 EDBDLP CC1(C)C[NH2+]C[C@@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000900424372 592014804 /nfs/dbraw/zinc/01/48/04/592014804.db2.gz JLWAFOBZLWBOMB-INIZCTEOSA-N 2 2 334.420 1.837 20 5 EDBDLP C[NH+]1CCC(ONC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000846651746 595293752 /nfs/dbraw/zinc/29/37/52/595293752.db2.gz UXQRIWAHDRNECQ-UHFFFAOYSA-N 2 2 345.359 1.536 20 5 EDBDLP C[NH+](C)[C@@]1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCSC1 ZINC000877074742 597426602 /nfs/dbraw/zinc/42/66/02/597426602.db2.gz RKYVZNGSFUOXOD-ORHYLEIMSA-N 2 2 325.438 1.522 20 5 EDBDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090538851 138279314 /nfs/dbraw/zinc/27/93/14/138279314.db2.gz IQBKLLLICUDAGR-YOEHRIQHSA-N 2 2 344.419 1.687 20 5 EDBDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090538851 138279315 /nfs/dbraw/zinc/27/93/15/138279315.db2.gz IQBKLLLICUDAGR-YOEHRIQHSA-N 2 2 344.419 1.687 20 5 EDBDLP C[NH+]1CCN(C(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000093191291 138292250 /nfs/dbraw/zinc/29/22/50/138292250.db2.gz BYAGEZIGALMLPL-UHFFFAOYSA-N 2 2 332.404 1.333 20 5 EDBDLP C[NH+]1CCN(C(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000093191291 138292251 /nfs/dbraw/zinc/29/22/51/138292251.db2.gz BYAGEZIGALMLPL-UHFFFAOYSA-N 2 2 332.404 1.333 20 5 EDBDLP COC(=O)COc1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000414788147 304140980 /nfs/dbraw/zinc/14/09/80/304140980.db2.gz CXVCAWGIRQINRG-LBPRGKRZSA-N 2 2 325.365 1.220 20 5 EDBDLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000332444295 141182746 /nfs/dbraw/zinc/18/27/46/141182746.db2.gz JKVFQPIAZMMHBL-CHWSQXEVSA-N 2 2 343.387 1.945 20 5 EDBDLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000332444295 141182747 /nfs/dbraw/zinc/18/27/47/141182747.db2.gz JKVFQPIAZMMHBL-CHWSQXEVSA-N 2 2 343.387 1.945 20 5 EDBDLP NC(=O)c1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000346511505 143212434 /nfs/dbraw/zinc/21/24/34/143212434.db2.gz SMFJUWLIHOLZMK-HNNXBMFYSA-N 2 2 342.355 1.742 20 5 EDBDLP NC(=O)c1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000346511505 143212435 /nfs/dbraw/zinc/21/24/35/143212435.db2.gz SMFJUWLIHOLZMK-HNNXBMFYSA-N 2 2 342.355 1.742 20 5 EDBDLP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000352488262 162208565 /nfs/dbraw/zinc/20/85/65/162208565.db2.gz OCVZZVLGZCWLEZ-CQSZACIVSA-N 2 2 332.404 1.687 20 5 EDBDLP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000352488262 162208567 /nfs/dbraw/zinc/20/85/67/162208567.db2.gz OCVZZVLGZCWLEZ-CQSZACIVSA-N 2 2 332.404 1.687 20 5 EDBDLP CN(C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000139899471 441828617 /nfs/dbraw/zinc/82/86/17/441828617.db2.gz KQCFQMISLQHMMH-YOEHRIQHSA-N 2 2 346.431 1.974 20 5 EDBDLP CN(C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000139899471 441828624 /nfs/dbraw/zinc/82/86/24/441828624.db2.gz KQCFQMISLQHMMH-YOEHRIQHSA-N 2 2 346.431 1.974 20 5 EDBDLP CN(C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000139899471 441828634 /nfs/dbraw/zinc/82/86/34/441828634.db2.gz KQCFQMISLQHMMH-YOEHRIQHSA-N 2 2 346.431 1.974 20 5 EDBDLP CN(C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000139899471 441828639 /nfs/dbraw/zinc/82/86/39/441828639.db2.gz KQCFQMISLQHMMH-YOEHRIQHSA-N 2 2 346.431 1.974 20 5 EDBDLP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000293642150 444078309 /nfs/dbraw/zinc/07/83/09/444078309.db2.gz AZFRNCQZDLCCLU-LBPRGKRZSA-N 2 2 331.376 1.708 20 5 EDBDLP C[NH+](C)[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000580397140 322044127 /nfs/dbraw/zinc/04/41/27/322044127.db2.gz WBGKRTQQHLXCRZ-HZPDHXFCSA-N 2 2 333.392 1.045 20 5 EDBDLP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000355745369 445476550 /nfs/dbraw/zinc/47/65/50/445476550.db2.gz ZTXJENOWKIABEU-YOEHRIQHSA-N 2 2 346.431 1.974 20 5 EDBDLP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000355745369 445476554 /nfs/dbraw/zinc/47/65/54/445476554.db2.gz ZTXJENOWKIABEU-YOEHRIQHSA-N 2 2 346.431 1.974 20 5 EDBDLP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000355745369 445476557 /nfs/dbraw/zinc/47/65/57/445476557.db2.gz ZTXJENOWKIABEU-YOEHRIQHSA-N 2 2 346.431 1.974 20 5 EDBDLP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000355745369 445476561 /nfs/dbraw/zinc/47/65/61/445476561.db2.gz ZTXJENOWKIABEU-YOEHRIQHSA-N 2 2 346.431 1.974 20 5 EDBDLP COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000351500767 446105637 /nfs/dbraw/zinc/10/56/37/446105637.db2.gz XJFTWELAEYGRER-DRZSPHRISA-N 2 2 334.376 1.211 20 5 EDBDLP COc1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000351500767 446105643 /nfs/dbraw/zinc/10/56/43/446105643.db2.gz XJFTWELAEYGRER-DRZSPHRISA-N 2 2 334.376 1.211 20 5 EDBDLP C[C@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H](C[NH3+])C1 ZINC000420347109 446520590 /nfs/dbraw/zinc/52/05/90/446520590.db2.gz XKEFALGCKDHLMC-GXTWGEPZSA-N 2 2 348.403 1.952 20 5 EDBDLP C[C@H]1CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H](C[NH3+])C1 ZINC000420347109 446520600 /nfs/dbraw/zinc/52/06/00/446520600.db2.gz XKEFALGCKDHLMC-GXTWGEPZSA-N 2 2 348.403 1.952 20 5 EDBDLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420355399 446535276 /nfs/dbraw/zinc/53/52/76/446535276.db2.gz DXIPVPIZNWLZQG-HNNXBMFYSA-N 2 2 332.404 1.462 20 5 EDBDLP O=[N+]([O-])c1ccc2cc[nH+]c(NCCC[NH+]3CCC(O)CC3)c2c1 ZINC000413069998 446991163 /nfs/dbraw/zinc/99/11/63/446991163.db2.gz LJARDZZWULDBOF-UHFFFAOYSA-N 2 2 330.388 2.402 20 5 EDBDLP CC[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH3+] ZINC000592487904 448857923 /nfs/dbraw/zinc/85/79/23/448857923.db2.gz BQMFLSOQXBINRR-WFASDCNBSA-N 2 2 332.404 1.543 20 5 EDBDLP CC[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH3+] ZINC000592487904 448857926 /nfs/dbraw/zinc/85/79/26/448857926.db2.gz BQMFLSOQXBINRR-WFASDCNBSA-N 2 2 332.404 1.543 20 5 EDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000597990471 449174696 /nfs/dbraw/zinc/17/46/96/449174696.db2.gz WTOIMXAUWNOGGX-UHFFFAOYSA-N 2 2 326.372 1.347 20 5 EDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000597990471 449174699 /nfs/dbraw/zinc/17/46/99/449174699.db2.gz WTOIMXAUWNOGGX-UHFFFAOYSA-N 2 2 326.372 1.347 20 5 EDBDLP C[NH2+]CCOCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000600710397 449509247 /nfs/dbraw/zinc/50/92/47/449509247.db2.gz OEMXWEMYQMFQBB-OAHLLOKOSA-N 2 2 333.392 1.243 20 5 EDBDLP C[N@H+](CCOCC[NH3+])CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000600734630 449524330 /nfs/dbraw/zinc/52/43/30/449524330.db2.gz IOXPTCXSCILLFV-UHFFFAOYSA-N 2 2 330.772 1.094 20 5 EDBDLP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000600734630 449524335 /nfs/dbraw/zinc/52/43/35/449524335.db2.gz IOXPTCXSCILLFV-UHFFFAOYSA-N 2 2 330.772 1.094 20 5 EDBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000614740800 449785003 /nfs/dbraw/zinc/78/50/03/449785003.db2.gz KSIXDNLZMRIKOX-CYBMUJFWSA-N 2 2 330.392 1.814 20 5 EDBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000614740800 449785010 /nfs/dbraw/zinc/78/50/10/449785010.db2.gz KSIXDNLZMRIKOX-CYBMUJFWSA-N 2 2 330.392 1.814 20 5 EDBDLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000093045485 535489806 /nfs/dbraw/zinc/48/98/06/535489806.db2.gz SLBSBYZSSYFIAD-UHFFFAOYSA-N 2 2 348.447 1.889 20 5 EDBDLP C[NH+]1CCC([NH2+]Cc2cn(CCc3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC000900525483 592036854 /nfs/dbraw/zinc/03/68/54/592036854.db2.gz VGULSXMTKNDISW-UHFFFAOYSA-N 2 2 344.419 1.613 20 5 EDBDLP O=[N+]([O-])c1ccc(O)cc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903507192 592198622 /nfs/dbraw/zinc/19/86/22/592198622.db2.gz QPBNZELCXOZDBP-IYBDPMFKSA-N 2 2 346.431 1.701 20 5 EDBDLP O=[N+]([O-])c1ccc(O)cc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903507192 592198625 /nfs/dbraw/zinc/19/86/25/592198625.db2.gz QPBNZELCXOZDBP-IYBDPMFKSA-N 2 2 346.431 1.701 20 5 EDBDLP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872032655 596798296 /nfs/dbraw/zinc/79/82/96/596798296.db2.gz XGSDQKFATYJELP-GFCCVEGCSA-N 2 2 338.383 1.549 20 5 EDBDLP C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424028734 252120665 /nfs/dbraw/zinc/12/06/65/252120665.db2.gz YYNNKCQKXIAQTC-TZMCWYRMSA-N 2 2 343.387 1.837 20 5 EDBDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000107370362 276201383 /nfs/dbraw/zinc/20/13/83/276201383.db2.gz GIPOMCLHVWZTFM-AWEZNQCLSA-N 2 2 336.411 1.946 20 5 EDBDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000107370362 276201384 /nfs/dbraw/zinc/20/13/84/276201384.db2.gz GIPOMCLHVWZTFM-AWEZNQCLSA-N 2 2 336.411 1.946 20 5 EDBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000289833822 288787915 /nfs/dbraw/zinc/78/79/15/288787915.db2.gz BKMYIHBJPUPJLR-UONOGXRCSA-N 2 2 341.371 1.462 20 5 EDBDLP COc1cc(C[NH2+][C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414944953 447366987 /nfs/dbraw/zinc/36/69/87/447366987.db2.gz OVGBMNMMXLQKSR-QMMMGPOBSA-N 2 2 337.298 1.981 20 5 EDBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000536069268 306019329 /nfs/dbraw/zinc/01/93/29/306019329.db2.gz YIIBCZBWZSFOLM-UKRRQHHQSA-N 2 2 346.387 1.558 20 5 EDBDLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000159390187 441809724 /nfs/dbraw/zinc/80/97/24/441809724.db2.gz YNSRIUZVLBIETC-MRXNPFEDSA-N 2 2 332.404 1.509 20 5 EDBDLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000159390187 441809730 /nfs/dbraw/zinc/80/97/30/441809730.db2.gz YNSRIUZVLBIETC-MRXNPFEDSA-N 2 2 332.404 1.509 20 5 EDBDLP [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000160948005 441938845 /nfs/dbraw/zinc/93/88/45/441938845.db2.gz JYURGCRYVDPIAQ-OLZOCXBDSA-N 2 2 329.360 1.780 20 5 EDBDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268864926 443129937 /nfs/dbraw/zinc/12/99/37/443129937.db2.gz FHNLXCMDLUZQPD-IRXDYDNUSA-N 2 2 332.448 1.751 20 5 EDBDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268864926 443129942 /nfs/dbraw/zinc/12/99/42/443129942.db2.gz FHNLXCMDLUZQPD-IRXDYDNUSA-N 2 2 332.448 1.751 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420368327 319611415 /nfs/dbraw/zinc/61/14/15/319611415.db2.gz NOQJJQJWPGZJFW-OHUAYANFSA-N 2 2 336.392 1.518 20 5 EDBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000344744913 445138816 /nfs/dbraw/zinc/13/88/16/445138816.db2.gz DLYYNDWAHXSZLW-UHFFFAOYSA-N 2 2 337.424 1.031 20 5 EDBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000344744913 445138821 /nfs/dbraw/zinc/13/88/21/445138821.db2.gz DLYYNDWAHXSZLW-UHFFFAOYSA-N 2 2 337.424 1.031 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342099471 445171471 /nfs/dbraw/zinc/17/14/71/445171471.db2.gz JSPXBBGAMDGYJW-FPMFFAJLSA-N 2 2 348.403 1.601 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342099471 445171473 /nfs/dbraw/zinc/17/14/73/445171473.db2.gz JSPXBBGAMDGYJW-FPMFFAJLSA-N 2 2 348.403 1.601 20 5 EDBDLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@H]12 ZINC000351501976 446107287 /nfs/dbraw/zinc/10/72/87/446107287.db2.gz YPOIPVRPFBUUON-FPMFFAJLSA-N 2 2 329.360 1.814 20 5 EDBDLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@H]12 ZINC000351501976 446107293 /nfs/dbraw/zinc/10/72/93/446107293.db2.gz YPOIPVRPFBUUON-FPMFFAJLSA-N 2 2 329.360 1.814 20 5 EDBDLP Cc1nc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000371461543 446872112 /nfs/dbraw/zinc/87/21/12/446872112.db2.gz YPPITSGXOMWXSB-CYBMUJFWSA-N 2 2 333.436 1.903 20 5 EDBDLP Cc1nc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000371461543 446872114 /nfs/dbraw/zinc/87/21/14/446872114.db2.gz YPPITSGXOMWXSB-CYBMUJFWSA-N 2 2 333.436 1.903 20 5 EDBDLP C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[N@H+](C)Cc1ccccc1 ZINC000390633260 447496759 /nfs/dbraw/zinc/49/67/59/447496759.db2.gz AYCHVQDYEHIZAA-PBHICJAKSA-N 2 2 347.419 1.262 20 5 EDBDLP C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[N@@H+](C)Cc1ccccc1 ZINC000390633260 447496763 /nfs/dbraw/zinc/49/67/63/447496763.db2.gz AYCHVQDYEHIZAA-PBHICJAKSA-N 2 2 347.419 1.262 20 5 EDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@H]1CCC[NH2+]C1 ZINC000420177148 447656943 /nfs/dbraw/zinc/65/69/43/447656943.db2.gz RQKSXWZTTSKYAL-HNNXBMFYSA-N 2 2 334.420 1.839 20 5 EDBDLP Cc1cc(N2CCO[C@@H](C[NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420237001 447681290 /nfs/dbraw/zinc/68/12/90/447681290.db2.gz JJMQNYCJGYIKOS-AWEZNQCLSA-N 2 2 329.360 1.524 20 5 EDBDLP O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000591686220 448450656 /nfs/dbraw/zinc/45/06/56/448450656.db2.gz URARBSNZRRTRKZ-OAHLLOKOSA-N 2 2 341.371 1.652 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184312 448727393 /nfs/dbraw/zinc/72/73/93/448727393.db2.gz JBUZGKKNHQOPHS-UHFFFAOYSA-N 2 2 335.404 1.900 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184312 448727394 /nfs/dbraw/zinc/72/73/94/448727394.db2.gz JBUZGKKNHQOPHS-UHFFFAOYSA-N 2 2 335.404 1.900 20 5 EDBDLP C[NH2+]CCOCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000600712486 449510274 /nfs/dbraw/zinc/51/02/74/449510274.db2.gz XDLFTLREVHQIIM-OAHLLOKOSA-N 2 2 333.392 1.243 20 5 EDBDLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000601335683 449844740 /nfs/dbraw/zinc/84/47/40/449844740.db2.gz WXCWWDWMBNYTPF-ZBFHGGJFSA-N 2 2 344.415 1.558 20 5 EDBDLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000601335683 449844742 /nfs/dbraw/zinc/84/47/42/449844742.db2.gz WXCWWDWMBNYTPF-ZBFHGGJFSA-N 2 2 344.415 1.558 20 5 EDBDLP Cc1cnc(N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000610283955 450182572 /nfs/dbraw/zinc/18/25/72/450182572.db2.gz BHCXJBJXBCITNE-OAHLLOKOSA-N 2 2 333.436 1.903 20 5 EDBDLP Cc1cnc(N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000610283955 450182579 /nfs/dbraw/zinc/18/25/79/450182579.db2.gz BHCXJBJXBCITNE-OAHLLOKOSA-N 2 2 333.436 1.903 20 5 EDBDLP COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[NH2+]CC[NH2+]CC1 ZINC000900368838 591998720 /nfs/dbraw/zinc/99/87/20/591998720.db2.gz LTIDWRXPTYXDRI-UHFFFAOYSA-N 2 2 331.376 1.151 20 5 EDBDLP [NH3+]CC[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000900375643 592000875 /nfs/dbraw/zinc/00/08/75/592000875.db2.gz MKGVJHNQWQAZCS-CQSZACIVSA-N 2 2 334.420 1.602 20 5 EDBDLP O=C(CC[N@H+](C1CC1)[C@@H]1CC[NH2+]C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000843361151 595088073 /nfs/dbraw/zinc/08/80/73/595088073.db2.gz CPHYXMQYWJCUKX-CYBMUJFWSA-N 2 2 336.367 1.889 20 5 EDBDLP O=C(CC[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000843361151 595088074 /nfs/dbraw/zinc/08/80/74/595088074.db2.gz CPHYXMQYWJCUKX-CYBMUJFWSA-N 2 2 336.367 1.889 20 5 EDBDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000050802066 214070860 /nfs/dbraw/zinc/07/08/60/214070860.db2.gz DFCJKGBELMVHHO-UHFFFAOYSA-N 2 2 346.431 1.883 20 5 EDBDLP CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000237110659 139040889 /nfs/dbraw/zinc/04/08/89/139040889.db2.gz ZOQHHIPGBZVWJD-UHFFFAOYSA-N 2 2 329.360 1.605 20 5 EDBDLP O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261735229 139221666 /nfs/dbraw/zinc/22/16/66/139221666.db2.gz LYLNVEOFCKMYSV-UHFFFAOYSA-N 2 2 342.403 1.669 20 5 EDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420202287 251642091 /nfs/dbraw/zinc/64/20/91/251642091.db2.gz PCHUIUOCPJFFTA-CVEARBPZSA-N 2 2 346.431 1.758 20 5 EDBDLP COC(=O)COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000424368193 252201682 /nfs/dbraw/zinc/20/16/82/252201682.db2.gz PDVVWCLAKWSNGZ-CHWSQXEVSA-N 2 2 337.376 1.506 20 5 EDBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000081095476 276225365 /nfs/dbraw/zinc/22/53/65/276225365.db2.gz HRFDXRXKYBCXBJ-DOMZBBRYSA-N 2 2 334.420 1.856 20 5 EDBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000081095476 276225366 /nfs/dbraw/zinc/22/53/66/276225366.db2.gz HRFDXRXKYBCXBJ-DOMZBBRYSA-N 2 2 334.420 1.856 20 5 EDBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000081095476 276225367 /nfs/dbraw/zinc/22/53/67/276225367.db2.gz HRFDXRXKYBCXBJ-DOMZBBRYSA-N 2 2 334.420 1.856 20 5 EDBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000081095476 276225368 /nfs/dbraw/zinc/22/53/68/276225368.db2.gz HRFDXRXKYBCXBJ-DOMZBBRYSA-N 2 2 334.420 1.856 20 5 EDBDLP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000366518253 277160676 /nfs/dbraw/zinc/16/06/76/277160676.db2.gz IAMVEZKHGOSUGM-SJLPKXTDSA-N 2 2 344.415 1.728 20 5 EDBDLP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000366518253 277160677 /nfs/dbraw/zinc/16/06/77/277160677.db2.gz IAMVEZKHGOSUGM-SJLPKXTDSA-N 2 2 344.415 1.728 20 5 EDBDLP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000366518253 277160678 /nfs/dbraw/zinc/16/06/78/277160678.db2.gz IAMVEZKHGOSUGM-SJLPKXTDSA-N 2 2 344.415 1.728 20 5 EDBDLP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000366518253 277160679 /nfs/dbraw/zinc/16/06/79/277160679.db2.gz IAMVEZKHGOSUGM-SJLPKXTDSA-N 2 2 344.415 1.728 20 5 EDBDLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000430567730 305056229 /nfs/dbraw/zinc/05/62/29/305056229.db2.gz GDBSRAQHMSYCEJ-OCCSQVGLSA-N 2 2 332.404 1.543 20 5 EDBDLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000430567730 305056230 /nfs/dbraw/zinc/05/62/30/305056230.db2.gz GDBSRAQHMSYCEJ-OCCSQVGLSA-N 2 2 332.404 1.543 20 5 EDBDLP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430644791 305061000 /nfs/dbraw/zinc/06/10/00/305061000.db2.gz ZHMKXISYTVNEKB-VXGBXAGGSA-N 2 2 336.392 1.601 20 5 EDBDLP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430644791 305061001 /nfs/dbraw/zinc/06/10/01/305061001.db2.gz ZHMKXISYTVNEKB-VXGBXAGGSA-N 2 2 336.392 1.601 20 5 EDBDLP C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000447815586 305286161 /nfs/dbraw/zinc/28/61/61/305286161.db2.gz GNGSWSRIRVVXNS-RDTXWAMCSA-N 2 2 348.447 1.813 20 5 EDBDLP COC(=O)COc1ccc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000414961745 447375242 /nfs/dbraw/zinc/37/52/42/447375242.db2.gz WCPWBYBWVHMSED-AAEUAGOBSA-N 2 2 337.376 1.377 20 5 EDBDLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414970517 447380674 /nfs/dbraw/zinc/38/06/74/447380674.db2.gz UZIXWXVOZSMXIN-LBPRGKRZSA-N 2 2 330.335 1.189 20 5 EDBDLP Cn1cc[nH+]c1N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000089926309 441596219 /nfs/dbraw/zinc/59/62/19/441596219.db2.gz WWJHFPFZYWOWAZ-UHFFFAOYSA-N 2 2 331.376 1.529 20 5 EDBDLP C[NH+](C)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000079031444 442010878 /nfs/dbraw/zinc/01/08/78/442010878.db2.gz IFVBAKWFGONAJK-MRXNPFEDSA-N 2 2 343.387 1.851 20 5 EDBDLP Cc1cc[nH+]cc1CCC[NH2+][C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000290558150 444295268 /nfs/dbraw/zinc/29/52/68/444295268.db2.gz ZMDIWCKFDSMRED-MSOLQXFVSA-N 2 2 345.399 1.915 20 5 EDBDLP C[NH+](C)C1CC[NH+](CCNc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000342817249 444878399 /nfs/dbraw/zinc/87/83/99/444878399.db2.gz NRDKWTLPPXLVJD-UHFFFAOYSA-N 2 2 335.408 1.132 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362660715 445483578 /nfs/dbraw/zinc/48/35/78/445483578.db2.gz AATLKHUMRXKXNO-MRXNPFEDSA-N 2 2 332.404 1.299 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362660715 445483588 /nfs/dbraw/zinc/48/35/88/445483588.db2.gz AATLKHUMRXKXNO-MRXNPFEDSA-N 2 2 332.404 1.299 20 5 EDBDLP [NH3+]CC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000420276352 446444586 /nfs/dbraw/zinc/44/45/86/446444586.db2.gz RMYOBCRHHGYHLU-UHFFFAOYSA-N 2 2 326.784 1.857 20 5 EDBDLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420365200 446544843 /nfs/dbraw/zinc/54/48/43/446544843.db2.gz KXWCFKNFDAVVKY-PSTGCABASA-N 2 2 332.404 1.460 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000578006105 448436606 /nfs/dbraw/zinc/43/66/06/448436606.db2.gz SQVRJWHZIHHAFV-PVAVHDDUSA-N 2 2 335.404 1.551 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000578006105 448436612 /nfs/dbraw/zinc/43/66/12/448436612.db2.gz SQVRJWHZIHHAFV-PVAVHDDUSA-N 2 2 335.404 1.551 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000517359974 448575851 /nfs/dbraw/zinc/57/58/51/448575851.db2.gz YJXJOYTYKLJRLD-KGLIPLIRSA-N 2 2 346.387 1.698 20 5 EDBDLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000618567084 450247377 /nfs/dbraw/zinc/24/73/77/450247377.db2.gz SNTUWJHSKCRMCF-INIZCTEOSA-N 2 2 332.404 1.336 20 5 EDBDLP O=C(CC[NH2+][C@H]1CC[NH2+]C12CCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000903472302 592175705 /nfs/dbraw/zinc/17/57/05/592175705.db2.gz RJYAQLOLHXHZRG-AWEZNQCLSA-N 2 2 336.367 1.937 20 5 EDBDLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178467538 232177531 /nfs/dbraw/zinc/17/75/31/232177531.db2.gz MQMYOENHWJYZEH-CHWSQXEVSA-N 2 2 329.360 1.780 20 5 EDBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563443098 306333443 /nfs/dbraw/zinc/33/34/43/306333443.db2.gz VZKHSQRQOXYCET-GJZGRUSLSA-N 2 2 348.403 1.126 20 5 EDBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563443098 306333444 /nfs/dbraw/zinc/33/34/44/306333444.db2.gz VZKHSQRQOXYCET-GJZGRUSLSA-N 2 2 348.403 1.126 20 5 EDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000420254346 296503818 /nfs/dbraw/zinc/50/38/18/296503818.db2.gz CZWYRMVSRKQWJF-HZPDHXFCSA-N 2 2 346.431 1.615 20 5 EDBDLP CCn1cc[nH+]c1CN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])[C@@H]1CC12CC[NH2+]CC2 ZINC000370165274 155358875 /nfs/dbraw/zinc/35/88/75/155358875.db2.gz UYPFNTQGXJEIFC-HZSPNIEDSA-N 2 2 347.419 1.039 20 5 EDBDLP Cc1ccc(C[NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)cc1[N+](=O)[O-] ZINC000367880323 154310454 /nfs/dbraw/zinc/31/04/54/154310454.db2.gz UAYVETZGGDJVPT-UHFFFAOYSA-N 2 2 346.431 1.642 20 5 EDBDLP Cc1ccc(C[NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)cc1[N+](=O)[O-] ZINC000367880323 154310458 /nfs/dbraw/zinc/31/04/58/154310458.db2.gz UAYVETZGGDJVPT-UHFFFAOYSA-N 2 2 346.431 1.642 20 5 EDBDLP C[NH+]1CCN(C(=O)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000338272625 290010897 /nfs/dbraw/zinc/01/08/97/290010897.db2.gz COISTKYCWBFZRI-UHFFFAOYSA-N 2 2 346.431 1.723 20 5 EDBDLP C[NH+]1CCN(C(=O)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000338272625 290010898 /nfs/dbraw/zinc/01/08/98/290010898.db2.gz COISTKYCWBFZRI-UHFFFAOYSA-N 2 2 346.431 1.723 20 5 EDBDLP COCC[NH2+]CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414880297 447340516 /nfs/dbraw/zinc/34/05/16/447340516.db2.gz IUTWEJGDKMNWRM-UHFFFAOYSA-N 2 2 333.392 1.321 20 5 EDBDLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430645232 305060993 /nfs/dbraw/zinc/06/09/93/305060993.db2.gz AOWRYNAAPVJPEF-CZUORRHYSA-N 2 2 332.404 1.632 20 5 EDBDLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430645232 305060994 /nfs/dbraw/zinc/06/09/94/305060994.db2.gz AOWRYNAAPVJPEF-CZUORRHYSA-N 2 2 332.404 1.632 20 5 EDBDLP [NH3+]CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000430652447 305061479 /nfs/dbraw/zinc/06/14/79/305061479.db2.gz XLWCNFFZUNYVFK-UHFFFAOYSA-N 2 2 326.784 1.857 20 5 EDBDLP COC(=O)COc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000414961749 447374930 /nfs/dbraw/zinc/37/49/30/447374930.db2.gz WCPWBYBWVHMSED-WCQYABFASA-N 2 2 337.376 1.377 20 5 EDBDLP C[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000179221616 442600496 /nfs/dbraw/zinc/60/04/96/442600496.db2.gz KXMQCPPSIFVOTN-LRDDRELGSA-N 2 2 343.387 1.980 20 5 EDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342153933 444538297 /nfs/dbraw/zinc/53/82/97/444538297.db2.gz ISAMWGACZCAKCZ-RQJABVFESA-N 2 2 332.404 1.981 20 5 EDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342153933 444538302 /nfs/dbraw/zinc/53/83/02/444538302.db2.gz ISAMWGACZCAKCZ-RQJABVFESA-N 2 2 332.404 1.981 20 5 EDBDLP Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369278550 446045465 /nfs/dbraw/zinc/04/54/65/446045465.db2.gz RWGMCFNJDNGPFS-CQSZACIVSA-N 2 2 346.431 1.802 20 5 EDBDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000369359141 446101891 /nfs/dbraw/zinc/10/18/91/446101891.db2.gz PHTDGIWTHUDWRD-QGZVFWFLSA-N 2 2 348.447 1.685 20 5 EDBDLP C[N@H+]1CCC[C@@H](N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000369359141 446101897 /nfs/dbraw/zinc/10/18/97/446101897.db2.gz PHTDGIWTHUDWRD-QGZVFWFLSA-N 2 2 348.447 1.685 20 5 EDBDLP C[NH+](C)CC(C)(C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000457207782 447541922 /nfs/dbraw/zinc/54/19/22/447541922.db2.gz NMGXDVQOWJOPGC-UHFFFAOYSA-N 2 2 331.376 1.851 20 5 EDBDLP C[NH2+]C[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420190234 447663090 /nfs/dbraw/zinc/66/30/90/447663090.db2.gz PEOCAWULZJYSJH-OAHLLOKOSA-N 2 2 334.420 1.473 20 5 EDBDLP C[C@@H]1C[C@@H](C[NH3+])CN1c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000420223208 447677458 /nfs/dbraw/zinc/67/74/58/447677458.db2.gz ZPKPIVSHZBPBPN-HIFRSBDPSA-N 2 2 334.420 1.601 20 5 EDBDLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C[NH3+] ZINC000422641663 447685206 /nfs/dbraw/zinc/68/52/06/447685206.db2.gz YIWXSMFYVUNPAX-NFAWXSAZSA-N 2 2 346.431 1.789 20 5 EDBDLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C[NH3+] ZINC000422641663 447685210 /nfs/dbraw/zinc/68/52/10/447685210.db2.gz YIWXSMFYVUNPAX-NFAWXSAZSA-N 2 2 346.431 1.789 20 5 EDBDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000531613967 448114867 /nfs/dbraw/zinc/11/48/67/448114867.db2.gz QPJIKPKHBJSQTR-HNNXBMFYSA-N 2 2 333.436 1.986 20 5 EDBDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000531613967 448114869 /nfs/dbraw/zinc/11/48/69/448114869.db2.gz QPJIKPKHBJSQTR-HNNXBMFYSA-N 2 2 333.436 1.986 20 5 EDBDLP CC[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592331342 448794208 /nfs/dbraw/zinc/79/42/08/448794208.db2.gz IPQKWDSGQPLMFJ-JSGCOSHPSA-N 2 2 343.387 1.980 20 5 EDBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602511388 449640941 /nfs/dbraw/zinc/64/09/41/449640941.db2.gz RCYMXXAVNLFVDK-ZDUSSCGKSA-N 2 2 330.392 1.833 20 5 EDBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3nc4ccccn4c3[N+](=O)[O-])C2)CC1 ZINC000732805739 578730721 /nfs/dbraw/zinc/73/07/21/578730721.db2.gz YFCKLLKWGTUVCZ-CYBMUJFWSA-N 2 2 344.419 1.823 20 5 EDBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3nc4ccccn4c3[N+](=O)[O-])C2)CC1 ZINC000732805739 578730722 /nfs/dbraw/zinc/73/07/22/578730722.db2.gz YFCKLLKWGTUVCZ-CYBMUJFWSA-N 2 2 344.419 1.823 20 5 EDBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000755792784 579935356 /nfs/dbraw/zinc/93/53/56/579935356.db2.gz WVRUEIYWQSNDIS-LLVKDONJSA-N 2 2 343.343 1.683 20 5 EDBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000755792784 579935357 /nfs/dbraw/zinc/93/53/57/579935357.db2.gz WVRUEIYWQSNDIS-LLVKDONJSA-N 2 2 343.343 1.683 20 5 EDBDLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(c1cc(C[NH+]3CCOCC3)ccc1[N+](=O)[O-])C2 ZINC000900440187 592019079 /nfs/dbraw/zinc/01/90/79/592019079.db2.gz JIYGMPFELVQDGH-XHSDSOJGSA-N 2 2 346.431 1.743 20 5 EDBDLP C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC000905696315 592626098 /nfs/dbraw/zinc/62/60/98/592626098.db2.gz MYKYPCPNPNQGTH-GDBMZVCRSA-N 2 2 348.447 1.848 20 5 EDBDLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879567031 597634488 /nfs/dbraw/zinc/63/44/88/597634488.db2.gz LIDOFMYRPSHGNY-FRFSOERESA-N 2 2 335.404 1.361 20 5 EDBDLP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879567031 597634490 /nfs/dbraw/zinc/63/44/90/597634490.db2.gz LIDOFMYRPSHGNY-FRFSOERESA-N 2 2 335.404 1.361 20 5 EDBDLP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879567031 597634493 /nfs/dbraw/zinc/63/44/93/597634493.db2.gz LIDOFMYRPSHGNY-FRFSOERESA-N 2 2 335.404 1.361 20 5 EDBDLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879567031 597634496 /nfs/dbraw/zinc/63/44/96/597634496.db2.gz LIDOFMYRPSHGNY-FRFSOERESA-N 2 2 335.404 1.361 20 5 EDBDLP [NH3+]C[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000237962254 139065095 /nfs/dbraw/zinc/06/50/95/139065095.db2.gz TWOPGBHVPLALHD-CYBMUJFWSA-N 2 2 329.360 1.734 20 5 EDBDLP Cc1cc(NC[C@@]2(O)CC[N@@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000358343586 151344044 /nfs/dbraw/zinc/34/40/44/151344044.db2.gz MTJXWVBOLNGJBW-KRWDZBQOSA-N 2 2 343.387 1.261 20 5 EDBDLP Cc1cc(NC[C@@]2(O)CC[N@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000358343586 151344045 /nfs/dbraw/zinc/34/40/45/151344045.db2.gz MTJXWVBOLNGJBW-KRWDZBQOSA-N 2 2 343.387 1.261 20 5 EDBDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)CC1 ZINC000093132661 441859730 /nfs/dbraw/zinc/85/97/30/441859730.db2.gz DRNDFEVZRVZEHF-HNNXBMFYSA-N 2 2 334.420 1.512 20 5 EDBDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)CC1 ZINC000093132661 441859737 /nfs/dbraw/zinc/85/97/37/441859737.db2.gz DRNDFEVZRVZEHF-HNNXBMFYSA-N 2 2 334.420 1.512 20 5 EDBDLP Cc1c[nH+]ccc1CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573479279 321456002 /nfs/dbraw/zinc/45/60/02/321456002.db2.gz VCVXOWSNNHMQJE-UHFFFAOYSA-N 2 2 349.412 1.904 20 5 EDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000420308664 446471334 /nfs/dbraw/zinc/47/13/34/446471334.db2.gz NQWKVTPZUNENTA-BYCMXARLSA-N 2 2 339.417 1.038 20 5 EDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000420308664 446471340 /nfs/dbraw/zinc/47/13/40/446471340.db2.gz NQWKVTPZUNENTA-BYCMXARLSA-N 2 2 339.417 1.038 20 5 EDBDLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000420308667 446471944 /nfs/dbraw/zinc/47/19/44/446471944.db2.gz NQWKVTPZUNENTA-NILFDRSVSA-N 2 2 339.417 1.038 20 5 EDBDLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000420308667 446471950 /nfs/dbraw/zinc/47/19/50/446471950.db2.gz NQWKVTPZUNENTA-NILFDRSVSA-N 2 2 339.417 1.038 20 5 EDBDLP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1[N+](=O)[O-] ZINC000420391476 446567237 /nfs/dbraw/zinc/56/72/37/446567237.db2.gz IJWPTCICUWGOLZ-UKRRQHHQSA-N 2 2 332.404 1.997 20 5 EDBDLP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1[N+](=O)[O-] ZINC000420391476 446567243 /nfs/dbraw/zinc/56/72/43/446567243.db2.gz IJWPTCICUWGOLZ-UKRRQHHQSA-N 2 2 332.404 1.997 20 5 EDBDLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000368419091 446850496 /nfs/dbraw/zinc/85/04/96/446850496.db2.gz ZYJYWCJJBLGGBC-RDBSUJKOSA-N 2 2 337.424 1.307 20 5 EDBDLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000368419091 446850505 /nfs/dbraw/zinc/85/05/05/446850505.db2.gz ZYJYWCJJBLGGBC-RDBSUJKOSA-N 2 2 337.424 1.307 20 5 EDBDLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000368677856 447028797 /nfs/dbraw/zinc/02/87/97/447028797.db2.gz LQUUGBFISFAQKL-SFHVURJKSA-N 2 2 348.447 1.433 20 5 EDBDLP CC[N@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000368677856 447028801 /nfs/dbraw/zinc/02/88/01/447028801.db2.gz LQUUGBFISFAQKL-SFHVURJKSA-N 2 2 348.447 1.433 20 5 EDBDLP C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCC[N@@H+]1C ZINC000450547798 447522898 /nfs/dbraw/zinc/52/28/98/447522898.db2.gz PECSUBWVKWDJGE-JSGCOSHPSA-N 2 2 343.387 1.993 20 5 EDBDLP C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCC[N@H+]1C ZINC000450547798 447522901 /nfs/dbraw/zinc/52/29/01/447522901.db2.gz PECSUBWVKWDJGE-JSGCOSHPSA-N 2 2 343.387 1.993 20 5 EDBDLP C[C@]1(C[NH3+])CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420242889 447683879 /nfs/dbraw/zinc/68/38/79/447683879.db2.gz NKMKSVNSOCXTJR-QGZVFWFLSA-N 2 2 334.420 1.602 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591447902 448365711 /nfs/dbraw/zinc/36/57/11/448365711.db2.gz CSEJJCJUJQHLLR-BBRMVZONSA-N 2 2 332.404 1.916 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591447902 448365716 /nfs/dbraw/zinc/36/57/16/448365716.db2.gz CSEJJCJUJQHLLR-BBRMVZONSA-N 2 2 332.404 1.916 20 5 EDBDLP CCO[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C[NH3+] ZINC000593737182 449171663 /nfs/dbraw/zinc/17/16/63/449171663.db2.gz SCVLKSKJRRBSIL-TZMCWYRMSA-N 2 2 347.375 1.440 20 5 EDBDLP CCO[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C[NH3+] ZINC000593737182 449171669 /nfs/dbraw/zinc/17/16/69/449171669.db2.gz SCVLKSKJRRBSIL-TZMCWYRMSA-N 2 2 347.375 1.440 20 5 EDBDLP CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[NH2+]1 ZINC000598573031 449472143 /nfs/dbraw/zinc/47/21/43/449472143.db2.gz OAHUZZTWTSFEBQ-AWEZNQCLSA-N 2 2 343.387 1.851 20 5 EDBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000600715487 449513414 /nfs/dbraw/zinc/51/34/14/449513414.db2.gz YYFRWQOTUFKATC-AWEZNQCLSA-N 2 2 347.419 1.299 20 5 EDBDLP Cn1cc[nH+]c1[C@H](NCC12CC(C1)C[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000596651204 449586878 /nfs/dbraw/zinc/58/68/78/449586878.db2.gz BIAKEGVGVPTKCJ-YAJUMTOWSA-N 2 2 327.388 1.759 20 5 EDBDLP COC(=O)COc1ccc(C[N@H+](C)CC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC000597204683 449869382 /nfs/dbraw/zinc/86/93/82/449869382.db2.gz DCXYTRFQFKMZAC-UHFFFAOYSA-N 2 2 337.376 1.140 20 5 EDBDLP COC(=O)COc1ccc(C[N@@H+](C)CC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC000597204683 449869398 /nfs/dbraw/zinc/86/93/98/449869398.db2.gz DCXYTRFQFKMZAC-UHFFFAOYSA-N 2 2 337.376 1.140 20 5 EDBDLP Cc1nn(C[NH+]2CCC(OCC[NH+](C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000738211187 579172822 /nfs/dbraw/zinc/17/28/22/579172822.db2.gz SRCAUOXIGZHWTQ-UHFFFAOYSA-N 2 2 325.413 1.408 20 5 EDBDLP Cn1c[nH+]c([C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]2[NH3+])c1 ZINC000904491473 592271882 /nfs/dbraw/zinc/27/18/82/592271882.db2.gz PBOPWGZWUXACRR-TZMCWYRMSA-N 2 2 335.795 1.908 20 5 EDBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000905618824 592595496 /nfs/dbraw/zinc/59/54/96/592595496.db2.gz JMTQFNRBPRLJFS-IAGOWNOFSA-N 2 2 335.404 1.471 20 5 EDBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000905618824 592595497 /nfs/dbraw/zinc/59/54/97/592595497.db2.gz JMTQFNRBPRLJFS-IAGOWNOFSA-N 2 2 335.404 1.471 20 5 EDBDLP O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@]3(C1)CCC[NH2+]C3)OCCO2 ZINC000843115078 595290369 /nfs/dbraw/zinc/29/03/69/595290369.db2.gz GFRPNEMKQCAAFK-QGZVFWFLSA-N 2 2 333.388 1.942 20 5 EDBDLP O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@]3(C1)CCC[NH2+]C3)OCCO2 ZINC000843115078 595290371 /nfs/dbraw/zinc/29/03/71/595290371.db2.gz GFRPNEMKQCAAFK-QGZVFWFLSA-N 2 2 333.388 1.942 20 5 EDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000852707748 596230859 /nfs/dbraw/zinc/23/08/59/596230859.db2.gz KDYTWJUDROWJJY-IAGOWNOFSA-N 2 2 335.404 1.159 20 5 EDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000852707748 596230860 /nfs/dbraw/zinc/23/08/60/596230860.db2.gz KDYTWJUDROWJJY-IAGOWNOFSA-N 2 2 335.404 1.159 20 5 EDBDLP CC(C)c1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000563430415 306332776 /nfs/dbraw/zinc/33/27/76/306332776.db2.gz BEYUCZVRRBHWIK-DZGCQCFKSA-N 2 2 332.404 1.462 20 5 EDBDLP CC(C)c1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000563430415 306332777 /nfs/dbraw/zinc/33/27/77/306332777.db2.gz BEYUCZVRRBHWIK-DZGCQCFKSA-N 2 2 332.404 1.462 20 5 EDBDLP CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000236664037 139028032 /nfs/dbraw/zinc/02/80/32/139028032.db2.gz GYLUUEJYRVXJAY-ZDUSSCGKSA-N 2 2 331.376 1.884 20 5 EDBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245420710 139073555 /nfs/dbraw/zinc/07/35/55/139073555.db2.gz HRFDXRXKYBCXBJ-SWLSCSKDSA-N 2 2 334.420 1.856 20 5 EDBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245420710 139073556 /nfs/dbraw/zinc/07/35/56/139073556.db2.gz HRFDXRXKYBCXBJ-SWLSCSKDSA-N 2 2 334.420 1.856 20 5 EDBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245420710 139073557 /nfs/dbraw/zinc/07/35/57/139073557.db2.gz HRFDXRXKYBCXBJ-SWLSCSKDSA-N 2 2 334.420 1.856 20 5 EDBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245420710 139073558 /nfs/dbraw/zinc/07/35/58/139073558.db2.gz HRFDXRXKYBCXBJ-SWLSCSKDSA-N 2 2 334.420 1.856 20 5 EDBDLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000430569681 305056376 /nfs/dbraw/zinc/05/63/76/305056376.db2.gz AKOCGLKDEAZJOY-CQSZACIVSA-N 2 2 326.784 1.904 20 5 EDBDLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000554817239 306198366 /nfs/dbraw/zinc/19/83/66/306198366.db2.gz ASVURGLEZFNLDM-UHFFFAOYSA-N 2 2 332.404 1.117 20 5 EDBDLP C[NH+]1CCN(C(=O)CC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000554817239 306198367 /nfs/dbraw/zinc/19/83/67/306198367.db2.gz ASVURGLEZFNLDM-UHFFFAOYSA-N 2 2 332.404 1.117 20 5 EDBDLP Cc1nn(C)c(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC000050954373 441393713 /nfs/dbraw/zinc/39/37/13/441393713.db2.gz NSBDUKMGIJEJHD-UHFFFAOYSA-N 2 2 336.440 1.607 20 5 EDBDLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000159390337 441809924 /nfs/dbraw/zinc/80/99/24/441809924.db2.gz YNSRIUZVLBIETC-INIZCTEOSA-N 2 2 332.404 1.509 20 5 EDBDLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000159390337 441809929 /nfs/dbraw/zinc/80/99/29/441809929.db2.gz YNSRIUZVLBIETC-INIZCTEOSA-N 2 2 332.404 1.509 20 5 EDBDLP C[NH+](C)C1CC[NH+](CCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000255718055 443108545 /nfs/dbraw/zinc/10/85/45/443108545.db2.gz KJXQSYKIUIPSAZ-SREVYHEPSA-N 2 2 346.431 1.750 20 5 EDBDLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000269245863 443248565 /nfs/dbraw/zinc/24/85/65/443248565.db2.gz DSHGNACMMHUCQQ-YPMHNXCESA-N 2 2 329.360 1.590 20 5 EDBDLP CC(C)[C@](C)(C[NH3+])[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420315255 319609179 /nfs/dbraw/zinc/60/91/79/319609179.db2.gz LKMZVEOKQWJPEX-AWEZNQCLSA-N 2 2 329.422 1.332 20 5 EDBDLP C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000267529443 443486307 /nfs/dbraw/zinc/48/63/07/443486307.db2.gz PPURLPIPMPIMPY-AWEZNQCLSA-N 2 2 343.387 1.947 20 5 EDBDLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000272257446 443570410 /nfs/dbraw/zinc/57/04/10/443570410.db2.gz MJVRYCQXJDYIEG-YPMHNXCESA-N 2 2 329.360 1.590 20 5 EDBDLP C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000448753647 320156976 /nfs/dbraw/zinc/15/69/76/320156976.db2.gz XIDSTJHFCLUZNF-MRXNPFEDSA-N 2 2 343.387 1.851 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000343608292 445261730 /nfs/dbraw/zinc/26/17/30/445261730.db2.gz KIFZLTUXQGAQIA-CQSZACIVSA-N 2 2 346.387 1.937 20 5 EDBDLP C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000353996750 445845145 /nfs/dbraw/zinc/84/51/45/445845145.db2.gz IMBISFBCMPLXFM-CYBMUJFWSA-N 2 2 343.387 1.947 20 5 EDBDLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000353996750 445845149 /nfs/dbraw/zinc/84/51/49/445845149.db2.gz IMBISFBCMPLXFM-CYBMUJFWSA-N 2 2 343.387 1.947 20 5 EDBDLP C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000362344504 446326687 /nfs/dbraw/zinc/32/66/87/446326687.db2.gz ZBDDTRZUPLZUFY-UHFFFAOYSA-N 2 2 344.419 1.783 20 5 EDBDLP C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000362344504 446326691 /nfs/dbraw/zinc/32/66/91/446326691.db2.gz ZBDDTRZUPLZUFY-UHFFFAOYSA-N 2 2 344.419 1.783 20 5 EDBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3N)C2)CC1 ZINC000365903357 446395347 /nfs/dbraw/zinc/39/53/47/446395347.db2.gz AOPHTKRTAYVFMN-LBPRGKRZSA-N 2 2 347.419 1.075 20 5 EDBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3N)C2)CC1 ZINC000365903357 446395352 /nfs/dbraw/zinc/39/53/52/446395352.db2.gz AOPHTKRTAYVFMN-LBPRGKRZSA-N 2 2 347.419 1.075 20 5 EDBDLP Cc1cc(NC[C@H]2C[NH2+]CCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420292355 446456636 /nfs/dbraw/zinc/45/66/36/446456636.db2.gz YSOGWWGPTNEZGN-CQSZACIVSA-N 2 2 329.360 1.182 20 5 EDBDLP C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[N@H+](C)Cc1ccccc1 ZINC000390633269 447496674 /nfs/dbraw/zinc/49/66/74/447496674.db2.gz AYCHVQDYEHIZAA-YOEHRIQHSA-N 2 2 347.419 1.262 20 5 EDBDLP C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[N@@H+](C)Cc1ccccc1 ZINC000390633269 447496680 /nfs/dbraw/zinc/49/66/80/447496680.db2.gz AYCHVQDYEHIZAA-YOEHRIQHSA-N 2 2 347.419 1.262 20 5 EDBDLP Cc1c(NC(=O)CC[N@@H+]2CCO[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000592474869 448853302 /nfs/dbraw/zinc/85/33/02/448853302.db2.gz IHYMUXNSTBVYFG-WFASDCNBSA-N 2 2 336.392 1.280 20 5 EDBDLP Cc1c(NC(=O)CC[N@H+]2CCO[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000592474869 448853304 /nfs/dbraw/zinc/85/33/04/448853304.db2.gz IHYMUXNSTBVYFG-WFASDCNBSA-N 2 2 336.392 1.280 20 5 EDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592475144 448853248 /nfs/dbraw/zinc/85/32/48/448853248.db2.gz VKROJIQLVWOOGO-SWLSCSKDSA-N 2 2 336.392 1.280 20 5 EDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592475144 448853250 /nfs/dbraw/zinc/85/32/50/448853250.db2.gz VKROJIQLVWOOGO-SWLSCSKDSA-N 2 2 336.392 1.280 20 5 EDBDLP CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000597946944 449155334 /nfs/dbraw/zinc/15/53/34/449155334.db2.gz SVBDOXMFLCHNNB-CQSZACIVSA-N 2 2 343.387 1.947 20 5 EDBDLP CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000597946944 449155339 /nfs/dbraw/zinc/15/53/39/449155339.db2.gz SVBDOXMFLCHNNB-CQSZACIVSA-N 2 2 343.387 1.947 20 5 EDBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000600745777 449530628 /nfs/dbraw/zinc/53/06/28/449530628.db2.gz PTRQLMPATNQWRQ-RYQLBKOJSA-N 2 2 344.415 1.632 20 5 EDBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000600745777 449530635 /nfs/dbraw/zinc/53/06/35/449530635.db2.gz PTRQLMPATNQWRQ-RYQLBKOJSA-N 2 2 344.415 1.632 20 5 EDBDLP O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600758183 449537855 /nfs/dbraw/zinc/53/78/55/449537855.db2.gz XCRMZDJVZQMEAE-MRXNPFEDSA-N 2 2 335.404 1.891 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609257773 449984889 /nfs/dbraw/zinc/98/48/89/449984889.db2.gz DQTRZZDRZJWLCE-JKSUJKDBSA-N 2 2 346.387 1.868 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609257773 449984893 /nfs/dbraw/zinc/98/48/93/449984893.db2.gz DQTRZZDRZJWLCE-JKSUJKDBSA-N 2 2 346.387 1.868 20 5 EDBDLP C[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1(C)C ZINC000619871068 450348323 /nfs/dbraw/zinc/34/83/23/450348323.db2.gz LCDCGUDEKUZNRS-UHFFFAOYSA-N 2 2 343.387 1.947 20 5 EDBDLP C[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1(C)C ZINC000619871068 450348326 /nfs/dbraw/zinc/34/83/26/450348326.db2.gz LCDCGUDEKUZNRS-UHFFFAOYSA-N 2 2 343.387 1.947 20 5 EDBDLP O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738149455 579164476 /nfs/dbraw/zinc/16/44/76/579164476.db2.gz RMEAFPZHTNILME-ZDUSSCGKSA-N 2 2 343.343 1.994 20 5 EDBDLP O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738149455 579164477 /nfs/dbraw/zinc/16/44/77/579164477.db2.gz RMEAFPZHTNILME-ZDUSSCGKSA-N 2 2 343.343 1.994 20 5 EDBDLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000779865494 580500186 /nfs/dbraw/zinc/50/01/86/580500186.db2.gz PVSGORNSMNASSN-AWEZNQCLSA-N 2 2 325.413 1.490 20 5 EDBDLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000779865494 580500187 /nfs/dbraw/zinc/50/01/87/580500187.db2.gz PVSGORNSMNASSN-AWEZNQCLSA-N 2 2 325.413 1.490 20 5 EDBDLP Cn1cc[nH+]c1[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000902464273 592000601 /nfs/dbraw/zinc/00/06/01/592000601.db2.gz BPFJWTSABZGKMF-BVUBDWEXSA-N 2 2 327.388 1.900 20 5 EDBDLP O=[N+]([O-])CC[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000905098161 592421988 /nfs/dbraw/zinc/42/19/88/592421988.db2.gz ROJQWDZOBQZYGZ-UHFFFAOYSA-N 2 2 326.828 1.718 20 5 EDBDLP C[C@H]([NH3+])[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000843355892 595085775 /nfs/dbraw/zinc/08/57/75/595085775.db2.gz LNLBMSICBJNTAM-IINYFYTJSA-N 2 2 340.355 1.111 20 5 EDBDLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000843355892 595085776 /nfs/dbraw/zinc/08/57/76/595085776.db2.gz LNLBMSICBJNTAM-IINYFYTJSA-N 2 2 340.355 1.111 20 5 EDBDLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843364615 595088537 /nfs/dbraw/zinc/08/85/37/595088537.db2.gz MPRJCUPWJQIEFC-NXEZZACHSA-N 2 2 326.784 1.856 20 5 EDBDLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843364615 595088539 /nfs/dbraw/zinc/08/85/39/595088539.db2.gz MPRJCUPWJQIEFC-NXEZZACHSA-N 2 2 326.784 1.856 20 5 EDBDLP C[NH+]1CCN(C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)CC1 ZINC000877747655 597552993 /nfs/dbraw/zinc/55/29/93/597552993.db2.gz WGYUJDJQCKMDQT-UHFFFAOYSA-N 2 2 334.420 1.512 20 5 EDBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000090552818 138279743 /nfs/dbraw/zinc/27/97/43/138279743.db2.gz KBIGHEQCHMASHP-OAHLLOKOSA-N 2 2 330.344 1.305 20 5 EDBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000090552818 138279744 /nfs/dbraw/zinc/27/97/44/138279744.db2.gz KBIGHEQCHMASHP-OAHLLOKOSA-N 2 2 330.344 1.305 20 5 EDBDLP COC(=O)COc1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000415042003 304153687 /nfs/dbraw/zinc/15/36/87/304153687.db2.gz PZWCDVKAEYZSHF-CQSZACIVSA-N 2 2 337.376 1.377 20 5 EDBDLP Cc1cc(NC[C@H](O)C[NH+]2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272887671 278733863 /nfs/dbraw/zinc/73/38/63/278733863.db2.gz XGLGLGVQJQYSJF-AWEZNQCLSA-N 2 2 346.387 1.556 20 5 EDBDLP C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[N@@H+]1C ZINC000449939797 447416724 /nfs/dbraw/zinc/41/67/24/447416724.db2.gz KDJFDNBMVPDNEY-TZMCWYRMSA-N 2 2 343.387 1.993 20 5 EDBDLP C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[N@H+]1C ZINC000449939797 447416730 /nfs/dbraw/zinc/41/67/30/447416730.db2.gz KDJFDNBMVPDNEY-TZMCWYRMSA-N 2 2 343.387 1.993 20 5 EDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342091901 445167401 /nfs/dbraw/zinc/16/74/01/445167401.db2.gz DBDCEFSRZARAJW-NWANDNLSSA-N 2 2 332.404 1.901 20 5 EDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342091901 445167405 /nfs/dbraw/zinc/16/74/05/445167405.db2.gz DBDCEFSRZARAJW-NWANDNLSSA-N 2 2 332.404 1.901 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351857837 445344675 /nfs/dbraw/zinc/34/46/75/445344675.db2.gz CCISVOSTAJYJAZ-SRVKXCTJSA-N 2 2 336.392 1.600 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351857837 445344678 /nfs/dbraw/zinc/34/46/78/445344678.db2.gz CCISVOSTAJYJAZ-SRVKXCTJSA-N 2 2 336.392 1.600 20 5 EDBDLP COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000420287139 446453232 /nfs/dbraw/zinc/45/32/32/446453232.db2.gz GALWNHBFQBTHQM-GFCCVEGCSA-N 2 2 336.392 1.745 20 5 EDBDLP COc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000420287139 446453238 /nfs/dbraw/zinc/45/32/38/446453238.db2.gz GALWNHBFQBTHQM-GFCCVEGCSA-N 2 2 336.392 1.745 20 5 EDBDLP NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420410580 446583649 /nfs/dbraw/zinc/58/36/49/446583649.db2.gz XZCHRWRIOARINP-UKRRQHHQSA-N 2 2 332.404 1.658 20 5 EDBDLP NC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420410580 446583654 /nfs/dbraw/zinc/58/36/54/446583654.db2.gz XZCHRWRIOARINP-UKRRQHHQSA-N 2 2 332.404 1.658 20 5 EDBDLP [NH3+][C@@H]1CC[C@H]2CN(c3cc(C[NH+]4CCOCC4)ccc3[N+](=O)[O-])C[C@@H]12 ZINC000420228006 447679364 /nfs/dbraw/zinc/67/93/64/447679364.db2.gz KBDNMQVMFFSAKP-ARFHVFGLSA-N 2 2 346.431 1.601 20 5 EDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420231451 447680003 /nfs/dbraw/zinc/68/00/03/447680003.db2.gz RTTRWNXRHGSTEK-GOSISDBHSA-N 2 2 346.431 1.617 20 5 EDBDLP CC(C)([NH3+])c1noc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000571762743 448201073 /nfs/dbraw/zinc/20/10/73/448201073.db2.gz KPTXOEMWIILMSZ-UHFFFAOYSA-N 2 2 335.368 1.205 20 5 EDBDLP Cn1cc[nH+]c1[C@@H](NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000591579997 448394942 /nfs/dbraw/zinc/39/49/42/448394942.db2.gz DQDSDLOAWPQDAZ-YDHLFZDLSA-N 2 2 333.367 1.707 20 5 EDBDLP Cn1cc[nH+]c1[C@H](NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000591579996 448395199 /nfs/dbraw/zinc/39/51/99/448395199.db2.gz DQDSDLOAWPQDAZ-KCQAQPDRSA-N 2 2 333.367 1.707 20 5 EDBDLP CC1(C)C[NH2+]CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000591678491 448448068 /nfs/dbraw/zinc/44/80/68/448448068.db2.gz VHKNRQIYZBEPBO-UHFFFAOYSA-N 2 2 329.360 1.605 20 5 EDBDLP C[NH+](C)C1CC[NH+](CCNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611706675 449389357 /nfs/dbraw/zinc/38/93/57/449389357.db2.gz GTROBGJQFNXOOI-UHFFFAOYSA-N 2 2 344.419 1.976 20 5 EDBDLP CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[NH2+]1 ZINC000598573033 449471672 /nfs/dbraw/zinc/47/16/72/449471672.db2.gz OAHUZZTWTSFEBQ-CQSZACIVSA-N 2 2 343.387 1.851 20 5 EDBDLP C[NH+](C)CCC[N@H+](C)CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000596426023 449497292 /nfs/dbraw/zinc/49/72/92/449497292.db2.gz ZPJSVJNXCHLVFK-UHFFFAOYSA-N 2 2 331.420 2.438 20 5 EDBDLP C[NH+](C)CCC[N@@H+](C)CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000596426023 449497296 /nfs/dbraw/zinc/49/72/96/449497296.db2.gz ZPJSVJNXCHLVFK-UHFFFAOYSA-N 2 2 331.420 2.438 20 5 EDBDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000131405654 529132126 /nfs/dbraw/zinc/13/21/26/529132126.db2.gz FIQVCKSYXDQBHG-AWEZNQCLSA-N 2 2 346.431 1.506 20 5 EDBDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000131405654 529132128 /nfs/dbraw/zinc/13/21/28/529132128.db2.gz FIQVCKSYXDQBHG-AWEZNQCLSA-N 2 2 346.431 1.506 20 5 EDBDLP C[C@H]1[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895734765 591264426 /nfs/dbraw/zinc/26/44/26/591264426.db2.gz AEJYCYWOHLEYJQ-ZFWWWQNUSA-N 2 2 334.420 1.932 20 5 EDBDLP C[C@H]1[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000895734765 591264427 /nfs/dbraw/zinc/26/44/27/591264427.db2.gz AEJYCYWOHLEYJQ-ZFWWWQNUSA-N 2 2 334.420 1.932 20 5 EDBDLP Cn1c[nH+]c([C@@H]2CN(Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]2[NH3+])c1 ZINC000904491336 592272000 /nfs/dbraw/zinc/27/20/00/592272000.db2.gz ONWKJRGMHIBVES-DGCLKSJQSA-N 2 2 335.795 1.908 20 5 EDBDLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843346200 595081234 /nfs/dbraw/zinc/08/12/34/595081234.db2.gz FDLORNLJYHGQIA-JTQLQIEISA-N 2 2 326.784 1.857 20 5 EDBDLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843346200 595081236 /nfs/dbraw/zinc/08/12/36/595081236.db2.gz FDLORNLJYHGQIA-JTQLQIEISA-N 2 2 326.784 1.857 20 5 EDBDLP Cc1c(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000873052420 597172438 /nfs/dbraw/zinc/17/24/38/597172438.db2.gz PGPCGDIXERESNM-QGZVFWFLSA-N 2 2 348.447 1.399 20 5 EDBDLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879567034 597634193 /nfs/dbraw/zinc/63/41/93/597634193.db2.gz LIDOFMYRPSHGNY-UNEWFSDZSA-N 2 2 335.404 1.361 20 5 EDBDLP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879567034 597634195 /nfs/dbraw/zinc/63/41/95/597634195.db2.gz LIDOFMYRPSHGNY-UNEWFSDZSA-N 2 2 335.404 1.361 20 5 EDBDLP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879567034 597634199 /nfs/dbraw/zinc/63/41/99/597634199.db2.gz LIDOFMYRPSHGNY-UNEWFSDZSA-N 2 2 335.404 1.361 20 5 EDBDLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879567034 597634202 /nfs/dbraw/zinc/63/42/02/597634202.db2.gz LIDOFMYRPSHGNY-UNEWFSDZSA-N 2 2 335.404 1.361 20 5 EDBDLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000424299624 252192658 /nfs/dbraw/zinc/19/26/58/252192658.db2.gz FFLZGTXVWXXREZ-CYZMBNFOSA-N 2 2 336.392 1.790 20 5 EDBDLP CCn1cc[nH+]c1CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CC12CC[NH2+]CC2 ZINC000370165275 155358653 /nfs/dbraw/zinc/35/86/53/155358653.db2.gz UYPFNTQGXJEIFC-MCIONIFRSA-N 2 2 347.419 1.039 20 5 EDBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000372834956 447308175 /nfs/dbraw/zinc/30/81/75/447308175.db2.gz AJCPSBLSPQGRSD-INIZCTEOSA-N 2 2 348.447 1.954 20 5 EDBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000372834956 447308179 /nfs/dbraw/zinc/30/81/79/447308179.db2.gz AJCPSBLSPQGRSD-INIZCTEOSA-N 2 2 348.447 1.954 20 5 EDBDLP C[C@@H]([NH3+])C1CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000420294348 304744024 /nfs/dbraw/zinc/74/40/24/304744024.db2.gz OKHADAVDAJBBEY-GFCCVEGCSA-N 2 2 341.433 1.428 20 5 EDBDLP C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[NH2+]CC1 ZINC000435611451 305143273 /nfs/dbraw/zinc/14/32/73/305143273.db2.gz SGBCELWMXAUALP-CQSZACIVSA-N 2 2 332.404 1.558 20 5 EDBDLP C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[NH2+]CC1 ZINC000435611451 305143274 /nfs/dbraw/zinc/14/32/74/305143274.db2.gz SGBCELWMXAUALP-CQSZACIVSA-N 2 2 332.404 1.558 20 5 EDBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000571587366 321393374 /nfs/dbraw/zinc/39/33/74/321393374.db2.gz PUFZIOCEXKEDDB-ZIAGYGMSSA-N 2 2 346.387 1.558 20 5 EDBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000571587366 321393375 /nfs/dbraw/zinc/39/33/75/321393375.db2.gz PUFZIOCEXKEDDB-ZIAGYGMSSA-N 2 2 346.387 1.558 20 5 EDBDLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000420357809 446537197 /nfs/dbraw/zinc/53/71/97/446537197.db2.gz DSGLGVJOIGXMPG-CZPYZCIJSA-N 2 2 332.404 1.676 20 5 EDBDLP O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1[N+](=O)[O-] ZINC000420391478 446567659 /nfs/dbraw/zinc/56/76/59/446567659.db2.gz IJWPTCICUWGOLZ-ZFWWWQNUSA-N 2 2 332.404 1.997 20 5 EDBDLP O=C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1[N+](=O)[O-] ZINC000420391478 446567662 /nfs/dbraw/zinc/56/76/62/446567662.db2.gz IJWPTCICUWGOLZ-ZFWWWQNUSA-N 2 2 332.404 1.997 20 5 EDBDLP C[N@@H+]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C[NH3+])C1 ZINC000582421169 448235296 /nfs/dbraw/zinc/23/52/96/448235296.db2.gz ZWQKYUKBJQNJGV-HNNXBMFYSA-N 2 2 347.444 1.793 20 5 EDBDLP C[N@H+]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C[NH3+])C1 ZINC000582421169 448235303 /nfs/dbraw/zinc/23/53/03/448235303.db2.gz ZWQKYUKBJQNJGV-HNNXBMFYSA-N 2 2 347.444 1.793 20 5 EDBDLP COCC[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000568649884 448902023 /nfs/dbraw/zinc/90/20/23/448902023.db2.gz PGHDOTMOEFABBM-CYBMUJFWSA-N 2 2 325.409 1.359 20 5 EDBDLP COCC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000568649884 448902027 /nfs/dbraw/zinc/90/20/27/448902027.db2.gz PGHDOTMOEFABBM-CYBMUJFWSA-N 2 2 325.409 1.359 20 5 EDBDLP [NH3+]C[C@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000569577042 449047618 /nfs/dbraw/zinc/04/76/18/449047618.db2.gz XLGGZYKVQALKPN-ZDUSSCGKSA-N 2 2 348.403 1.221 20 5 EDBDLP [NH3+]C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000569577042 449047620 /nfs/dbraw/zinc/04/76/20/449047620.db2.gz XLGGZYKVQALKPN-ZDUSSCGKSA-N 2 2 348.403 1.221 20 5 EDBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582296668 449060100 /nfs/dbraw/zinc/06/01/00/449060100.db2.gz QVAYTNQJXXKOJZ-SNPRPXQTSA-N 2 2 335.404 1.407 20 5 EDBDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582296668 449060107 /nfs/dbraw/zinc/06/01/07/449060107.db2.gz QVAYTNQJXXKOJZ-SNPRPXQTSA-N 2 2 335.404 1.407 20 5 EDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593739140 449173409 /nfs/dbraw/zinc/17/34/09/449173409.db2.gz XXPGAGWAQGCIAU-IGCXYCKISA-N 2 2 332.404 1.983 20 5 EDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593739140 449173416 /nfs/dbraw/zinc/17/34/16/449173416.db2.gz XXPGAGWAQGCIAU-IGCXYCKISA-N 2 2 332.404 1.983 20 5 EDBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000602915660 449918405 /nfs/dbraw/zinc/91/84/05/449918405.db2.gz NYMYGNUAZFABEH-UHFFFAOYSA-N 2 2 337.424 1.286 20 5 EDBDLP O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F)OCCO2 ZINC000903955224 592395068 /nfs/dbraw/zinc/39/50/68/592395068.db2.gz NIGLZQUWMGVPOY-LLVKDONJSA-N 2 2 343.330 1.700 20 5 EDBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181078045 529904045 /nfs/dbraw/zinc/90/40/45/529904045.db2.gz WRKNNVFVFMPGTB-UHFFFAOYSA-N 2 2 349.435 1.275 20 5 EDBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181078045 529904047 /nfs/dbraw/zinc/90/40/47/529904047.db2.gz WRKNNVFVFMPGTB-UHFFFAOYSA-N 2 2 349.435 1.275 20 5 EDBDLP CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000561026469 306281511 /nfs/dbraw/zinc/28/15/11/306281511.db2.gz FGFKDVHDBFYFMV-LBPRGKRZSA-N 2 2 337.380 1.100 20 5 EDBDLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000562478458 306299762 /nfs/dbraw/zinc/29/97/62/306299762.db2.gz HNJWCJDCYWGNJZ-HIFRSBDPSA-N 2 2 325.409 1.493 20 5 EDBDLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000562478458 306299763 /nfs/dbraw/zinc/29/97/63/306299763.db2.gz HNJWCJDCYWGNJZ-HIFRSBDPSA-N 2 2 325.409 1.493 20 5 EDBDLP COC(=O)COc1ccc(C[N@H+](C)C2(C[NH3+])CCC2)cc1[N+](=O)[O-] ZINC000414785895 304140429 /nfs/dbraw/zinc/14/04/29/304140429.db2.gz KAGPNZHJNINYIG-UHFFFAOYSA-N 2 2 337.376 1.460 20 5 EDBDLP COC(=O)COc1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1[N+](=O)[O-] ZINC000414785895 304140431 /nfs/dbraw/zinc/14/04/31/304140431.db2.gz KAGPNZHJNINYIG-UHFFFAOYSA-N 2 2 337.376 1.460 20 5 EDBDLP COc1ccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]CCO3)o2)c([N+](=O)[O-])c1 ZINC000415098594 304159566 /nfs/dbraw/zinc/15/95/66/304159566.db2.gz WEQIVIAPNFASOE-AWEZNQCLSA-N 2 2 347.371 1.941 20 5 EDBDLP Cn1cc[nH+]c1[C@@H](NCC(F)(F)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423348178 252049699 /nfs/dbraw/zinc/04/96/99/252049699.db2.gz SBXGYNVVSPSLAP-LBPRGKRZSA-N 2 2 325.319 1.601 20 5 EDBDLP O=C(NCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448597327 254635250 /nfs/dbraw/zinc/63/52/50/254635250.db2.gz OPWMDDKNMTXEET-UHFFFAOYSA-N 2 2 343.387 1.996 20 5 EDBDLP NC(=O)c1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000346511506 143212463 /nfs/dbraw/zinc/21/24/63/143212463.db2.gz SMFJUWLIHOLZMK-OAHLLOKOSA-N 2 2 342.355 1.742 20 5 EDBDLP NC(=O)c1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000346511506 143212464 /nfs/dbraw/zinc/21/24/64/143212464.db2.gz SMFJUWLIHOLZMK-OAHLLOKOSA-N 2 2 342.355 1.742 20 5 EDBDLP O=C(NCC1CC[NH2+]CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000297193314 303370785 /nfs/dbraw/zinc/37/07/85/303370785.db2.gz LZQPKLCBIKVUGJ-UHFFFAOYSA-N 2 2 329.360 1.510 20 5 EDBDLP CN(CC[N@H+](C)C1CC1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447808422 305286081 /nfs/dbraw/zinc/28/60/81/305286081.db2.gz VAPFSRWDXVYMHT-UHFFFAOYSA-N 2 2 348.447 1.957 20 5 EDBDLP CN(CC[N@@H+](C)C1CC1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447808422 305286082 /nfs/dbraw/zinc/28/60/82/305286082.db2.gz VAPFSRWDXVYMHT-UHFFFAOYSA-N 2 2 348.447 1.957 20 5 EDBDLP CN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448902972 305303456 /nfs/dbraw/zinc/30/34/56/305303456.db2.gz DWJKFKJXWMHNNL-UHFFFAOYSA-N 2 2 343.387 1.948 20 5 EDBDLP NC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000080969889 441214819 /nfs/dbraw/zinc/21/48/19/441214819.db2.gz YMSPDKYUHMSFIR-ZDUSSCGKSA-N 2 2 329.360 1.796 20 5 EDBDLP NC(=O)c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000080969889 441214821 /nfs/dbraw/zinc/21/48/21/441214821.db2.gz YMSPDKYUHMSFIR-ZDUSSCGKSA-N 2 2 329.360 1.796 20 5 EDBDLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000268844416 443124678 /nfs/dbraw/zinc/12/46/78/443124678.db2.gz BIICNXCEVQZITO-HZPDHXFCSA-N 2 2 334.420 1.975 20 5 EDBDLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000268844416 443124681 /nfs/dbraw/zinc/12/46/81/443124681.db2.gz BIICNXCEVQZITO-HZPDHXFCSA-N 2 2 334.420 1.975 20 5 EDBDLP CC[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000288444249 443883450 /nfs/dbraw/zinc/88/34/50/443883450.db2.gz NLEIBGRGYRFQJT-ZDUSSCGKSA-N 2 2 343.387 1.947 20 5 EDBDLP CC[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000288444249 443883452 /nfs/dbraw/zinc/88/34/52/443883452.db2.gz NLEIBGRGYRFQJT-ZDUSSCGKSA-N 2 2 343.387 1.947 20 5 EDBDLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000289864466 444212893 /nfs/dbraw/zinc/21/28/93/444212893.db2.gz QUDAATREXPZZHS-UHFFFAOYSA-N 2 2 346.431 1.581 20 5 EDBDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000362670390 445489975 /nfs/dbraw/zinc/48/99/75/445489975.db2.gz JZMHABWDQRRONA-UYZDIKGJSA-N 2 2 344.415 1.504 20 5 EDBDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000362670390 445489978 /nfs/dbraw/zinc/48/99/78/445489978.db2.gz JZMHABWDQRRONA-UYZDIKGJSA-N 2 2 344.415 1.504 20 5 EDBDLP CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000351480874 446080699 /nfs/dbraw/zinc/08/06/99/446080699.db2.gz WAHVZKHOZQPYGO-IACUBPJLSA-N 2 2 348.403 1.601 20 5 EDBDLP CCOc1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000351480874 446080707 /nfs/dbraw/zinc/08/07/07/446080707.db2.gz WAHVZKHOZQPYGO-IACUBPJLSA-N 2 2 348.403 1.601 20 5 EDBDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1 ZINC000366479468 446230971 /nfs/dbraw/zinc/23/09/71/446230971.db2.gz GTADOYMPAJCTEQ-QGZVFWFLSA-N 2 2 333.388 1.989 20 5 EDBDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1 ZINC000366479468 446230972 /nfs/dbraw/zinc/23/09/72/446230972.db2.gz GTADOYMPAJCTEQ-QGZVFWFLSA-N 2 2 333.388 1.989 20 5 EDBDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1 ZINC000366479468 446230977 /nfs/dbraw/zinc/23/09/77/446230977.db2.gz GTADOYMPAJCTEQ-QGZVFWFLSA-N 2 2 333.388 1.989 20 5 EDBDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1 ZINC000366479468 446230979 /nfs/dbraw/zinc/23/09/79/446230979.db2.gz GTADOYMPAJCTEQ-QGZVFWFLSA-N 2 2 333.388 1.989 20 5 EDBDLP COc1ccc(NC(=O)CC[N@H+](C2CC2)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420309810 446474018 /nfs/dbraw/zinc/47/40/18/446474018.db2.gz FHVXSFRRXKSSLO-ZDUSSCGKSA-N 2 2 348.403 1.758 20 5 EDBDLP COc1ccc(NC(=O)CC[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420309810 446474023 /nfs/dbraw/zinc/47/40/23/446474023.db2.gz FHVXSFRRXKSSLO-ZDUSSCGKSA-N 2 2 348.403 1.758 20 5 EDBDLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531881556 448166259 /nfs/dbraw/zinc/16/62/59/448166259.db2.gz PAXAEBXQUQDXBM-UHFFFAOYSA-N 2 2 342.359 1.389 20 5 EDBDLP Cc1cc(N2CC[N@@H+](C)C[C@@H]2C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000514850537 448213733 /nfs/dbraw/zinc/21/37/33/448213733.db2.gz YXUVJDJPWGJGNE-HNNXBMFYSA-N 2 2 342.403 1.439 20 5 EDBDLP Cc1cc(N2CC[N@H+](C)C[C@@H]2C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000514850537 448213740 /nfs/dbraw/zinc/21/37/40/448213740.db2.gz YXUVJDJPWGJGNE-HNNXBMFYSA-N 2 2 342.403 1.439 20 5 EDBDLP COCC[N@@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000519564689 448786327 /nfs/dbraw/zinc/78/63/27/448786327.db2.gz ZUTKTOOSUPKPJU-CQSZACIVSA-N 2 2 332.404 1.929 20 5 EDBDLP COCC[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000519564689 448786331 /nfs/dbraw/zinc/78/63/31/448786331.db2.gz ZUTKTOOSUPKPJU-CQSZACIVSA-N 2 2 332.404 1.929 20 5 EDBDLP CC[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@H]1[NH3+] ZINC000592488657 448859817 /nfs/dbraw/zinc/85/98/17/448859817.db2.gz KREGSOQPJAQJJL-WQVCFCJDSA-N 2 2 332.404 1.759 20 5 EDBDLP CC[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@H]1[NH3+] ZINC000592488657 448859821 /nfs/dbraw/zinc/85/98/21/448859821.db2.gz KREGSOQPJAQJJL-WQVCFCJDSA-N 2 2 332.404 1.759 20 5 EDBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582296667 449060038 /nfs/dbraw/zinc/06/00/38/449060038.db2.gz QVAYTNQJXXKOJZ-BPLDGKMQSA-N 2 2 335.404 1.407 20 5 EDBDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582296667 449060044 /nfs/dbraw/zinc/06/00/44/449060044.db2.gz QVAYTNQJXXKOJZ-BPLDGKMQSA-N 2 2 335.404 1.407 20 5 EDBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593655278 449132644 /nfs/dbraw/zinc/13/26/44/449132644.db2.gz BNPVEKUCVLUZTP-PTNGSMBKSA-N 2 2 346.431 1.704 20 5 EDBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593655278 449132650 /nfs/dbraw/zinc/13/26/50/449132650.db2.gz BNPVEKUCVLUZTP-PTNGSMBKSA-N 2 2 346.431 1.704 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609257770 449984410 /nfs/dbraw/zinc/98/44/10/449984410.db2.gz DQTRZZDRZJWLCE-HZPDHXFCSA-N 2 2 346.387 1.868 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609257770 449984417 /nfs/dbraw/zinc/98/44/17/449984417.db2.gz DQTRZZDRZJWLCE-HZPDHXFCSA-N 2 2 346.387 1.868 20 5 EDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000618903225 450332770 /nfs/dbraw/zinc/33/27/70/450332770.db2.gz DEDIEJIUWNMGMQ-GFCCVEGCSA-N 2 2 344.375 1.467 20 5 EDBDLP O=C(NCC12CC(C1)C[NH2+]2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000595950106 490995485 /nfs/dbraw/zinc/99/54/85/490995485.db2.gz JPMNWZSNUBLOEA-UHFFFAOYSA-N 2 2 327.344 1.262 20 5 EDBDLP CC[N@H+](C)C[C@H]1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749961708 579745629 /nfs/dbraw/zinc/74/56/29/579745629.db2.gz SZEXFAYUSUCQCR-CYBMUJFWSA-N 2 2 332.408 1.879 20 5 EDBDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749961708 579745630 /nfs/dbraw/zinc/74/56/30/579745630.db2.gz SZEXFAYUSUCQCR-CYBMUJFWSA-N 2 2 332.408 1.879 20 5 EDBDLP CC[NH+](C)C[C@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749961708 579745632 /nfs/dbraw/zinc/74/56/32/579745632.db2.gz SZEXFAYUSUCQCR-CYBMUJFWSA-N 2 2 332.408 1.879 20 5 EDBDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749961708 579745633 /nfs/dbraw/zinc/74/56/33/579745633.db2.gz SZEXFAYUSUCQCR-CYBMUJFWSA-N 2 2 332.408 1.879 20 5 EDBDLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879567032 597634462 /nfs/dbraw/zinc/63/44/62/597634462.db2.gz LIDOFMYRPSHGNY-KMFMINBZSA-N 2 2 335.404 1.361 20 5 EDBDLP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879567032 597634464 /nfs/dbraw/zinc/63/44/64/597634464.db2.gz LIDOFMYRPSHGNY-KMFMINBZSA-N 2 2 335.404 1.361 20 5 EDBDLP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879567032 597634467 /nfs/dbraw/zinc/63/44/67/597634467.db2.gz LIDOFMYRPSHGNY-KMFMINBZSA-N 2 2 335.404 1.361 20 5 EDBDLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879567032 597634470 /nfs/dbraw/zinc/63/44/70/597634470.db2.gz LIDOFMYRPSHGNY-KMFMINBZSA-N 2 2 335.404 1.361 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000183386030 235041201 /nfs/dbraw/zinc/04/12/01/235041201.db2.gz YZNMGHWXOHNMHK-KRWDZBQOSA-N 2 2 346.431 1.642 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000183386030 235041203 /nfs/dbraw/zinc/04/12/03/235041203.db2.gz YZNMGHWXOHNMHK-KRWDZBQOSA-N 2 2 346.431 1.642 20 5 EDBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090591636 138279876 /nfs/dbraw/zinc/27/98/76/138279876.db2.gz VGDNXMFZFAQLSC-AWEZNQCLSA-N 2 2 345.403 1.445 20 5 EDBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090591636 138279877 /nfs/dbraw/zinc/27/98/77/138279877.db2.gz VGDNXMFZFAQLSC-AWEZNQCLSA-N 2 2 345.403 1.445 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000564870790 306368030 /nfs/dbraw/zinc/36/80/30/306368030.db2.gz ATLBORUBSPMURN-GXTWGEPZSA-N 2 2 332.360 1.136 20 5 EDBDLP COC(=O)COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000261795952 139226729 /nfs/dbraw/zinc/22/67/29/139226729.db2.gz GNUMERHJTQSZEQ-DGCLKSJQSA-N 2 2 337.376 1.316 20 5 EDBDLP COC(=O)COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000261795952 139226730 /nfs/dbraw/zinc/22/67/30/139226730.db2.gz GNUMERHJTQSZEQ-DGCLKSJQSA-N 2 2 337.376 1.316 20 5 EDBDLP C[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000332353315 141167549 /nfs/dbraw/zinc/16/75/49/141167549.db2.gz YWYUPCIDFRJFGE-GXTWGEPZSA-N 2 2 343.387 1.993 20 5 EDBDLP C[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000332353315 141167550 /nfs/dbraw/zinc/16/75/50/141167550.db2.gz YWYUPCIDFRJFGE-GXTWGEPZSA-N 2 2 343.387 1.993 20 5 EDBDLP [NH3+]CC[C@@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420237512 303387013 /nfs/dbraw/zinc/38/70/13/303387013.db2.gz FYBPPYUIVFOKKW-HNNXBMFYSA-N 2 2 348.447 1.992 20 5 EDBDLP Cn1cc[nH+]c1[C@@H](NCC(F)(F)C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000423337064 304893191 /nfs/dbraw/zinc/89/31/91/304893191.db2.gz HEGDUNNXCMKJQO-LBPRGKRZSA-N 2 2 325.319 1.601 20 5 EDBDLP O=[N+]([O-])c1cnn(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000090538150 441633669 /nfs/dbraw/zinc/63/36/69/441633669.db2.gz VVCGPXWQDIUGKZ-UHFFFAOYSA-N 2 2 330.392 1.441 20 5 EDBDLP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000305176554 444263126 /nfs/dbraw/zinc/26/31/26/444263126.db2.gz LPSJLJCWGUMNAP-ROUUACIJSA-N 2 2 348.447 1.340 20 5 EDBDLP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000305176554 444263128 /nfs/dbraw/zinc/26/31/28/444263128.db2.gz LPSJLJCWGUMNAP-ROUUACIJSA-N 2 2 348.447 1.340 20 5 EDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000619153812 450418168 /nfs/dbraw/zinc/41/81/68/450418168.db2.gz MYVVQIPYYMKLJP-INIZCTEOSA-N 2 2 346.431 1.711 20 5 EDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000619153812 450418171 /nfs/dbraw/zinc/41/81/71/450418171.db2.gz MYVVQIPYYMKLJP-INIZCTEOSA-N 2 2 346.431 1.711 20 5 EDBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3csc([N+](=O)[O-])c3)C2)CC1 ZINC000369265365 446030903 /nfs/dbraw/zinc/03/09/03/446030903.db2.gz GDEIRPLQLDIRBJ-GFCCVEGCSA-N 2 2 338.433 1.555 20 5 EDBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3csc([N+](=O)[O-])c3)C2)CC1 ZINC000369265365 446030905 /nfs/dbraw/zinc/03/09/05/446030905.db2.gz GDEIRPLQLDIRBJ-GFCCVEGCSA-N 2 2 338.433 1.555 20 5 EDBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cccc1[N+](=O)[O-] ZINC000351480520 446080901 /nfs/dbraw/zinc/08/09/01/446080901.db2.gz VNTVXFXGUIZHEP-XUXIUFHCSA-N 2 2 332.404 1.899 20 5 EDBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cccc1[N+](=O)[O-] ZINC000351480520 446080909 /nfs/dbraw/zinc/08/09/09/446080909.db2.gz VNTVXFXGUIZHEP-XUXIUFHCSA-N 2 2 332.404 1.899 20 5 EDBDLP CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000351480873 446081360 /nfs/dbraw/zinc/08/13/60/446081360.db2.gz WAHVZKHOZQPYGO-FPMFFAJLSA-N 2 2 348.403 1.601 20 5 EDBDLP CCOc1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000351480873 446081362 /nfs/dbraw/zinc/08/13/62/446081362.db2.gz WAHVZKHOZQPYGO-FPMFFAJLSA-N 2 2 348.403 1.601 20 5 EDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000420308666 446472144 /nfs/dbraw/zinc/47/21/44/446472144.db2.gz NQWKVTPZUNENTA-KCPJHIHWSA-N 2 2 339.417 1.038 20 5 EDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000420308666 446472146 /nfs/dbraw/zinc/47/21/46/446472146.db2.gz NQWKVTPZUNENTA-KCPJHIHWSA-N 2 2 339.417 1.038 20 5 EDBDLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420365386 446545616 /nfs/dbraw/zinc/54/56/16/446545616.db2.gz PYEVUYHUEVNTAG-AWEZNQCLSA-N 2 2 341.433 1.346 20 5 EDBDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000442758411 446954176 /nfs/dbraw/zinc/95/41/76/446954176.db2.gz AVHFNLIXOQJTJO-VHSXEESVSA-N 2 2 326.784 1.856 20 5 EDBDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000442758411 446954179 /nfs/dbraw/zinc/95/41/79/446954179.db2.gz AVHFNLIXOQJTJO-VHSXEESVSA-N 2 2 326.784 1.856 20 5 EDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591438144 448363274 /nfs/dbraw/zinc/36/32/74/448363274.db2.gz LOMJKAPGYOTKDE-HZPDHXFCSA-N 2 2 346.431 1.615 20 5 EDBDLP COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC000591449301 448368457 /nfs/dbraw/zinc/36/84/57/448368457.db2.gz UTGBDQUXGIDRMA-DOMZBBRYSA-N 2 2 348.403 1.616 20 5 EDBDLP COc1ccc(NC(=O)CC[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC000591449301 448368463 /nfs/dbraw/zinc/36/84/63/448368463.db2.gz UTGBDQUXGIDRMA-DOMZBBRYSA-N 2 2 348.403 1.616 20 5 EDBDLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000590402257 449148477 /nfs/dbraw/zinc/14/84/77/449148477.db2.gz BPLAFVNUOSGWND-OCCSQVGLSA-N 2 2 343.387 1.945 20 5 EDBDLP C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC000590765303 449286220 /nfs/dbraw/zinc/28/62/20/449286220.db2.gz DJKYLFUIFVEPRI-CZUORRHYSA-N 2 2 341.371 1.557 20 5 EDBDLP C[N@H+]1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC000590765303 449286225 /nfs/dbraw/zinc/28/62/25/449286225.db2.gz DJKYLFUIFVEPRI-CZUORRHYSA-N 2 2 341.371 1.557 20 5 EDBDLP [NH3+][C@]12CCC[C@H]1C[N@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000598681516 449539849 /nfs/dbraw/zinc/53/98/49/449539849.db2.gz GMFHOMXKHNUDEG-SJCJKPOMSA-N 2 2 346.387 1.706 20 5 EDBDLP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000598681516 449539853 /nfs/dbraw/zinc/53/98/53/449539853.db2.gz GMFHOMXKHNUDEG-SJCJKPOMSA-N 2 2 346.387 1.706 20 5 EDBDLP Cc1ccc([C@H](C)[NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)cc1[N+](=O)[O-] ZINC000600712706 449510493 /nfs/dbraw/zinc/51/04/93/449510493.db2.gz ZRRPDWYYRPMVJX-WFASDCNBSA-N 2 2 330.392 1.880 20 5 EDBDLP C[C@H](CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)N1CC[NH+](C)CC1 ZINC000601111262 449694679 /nfs/dbraw/zinc/69/46/79/449694679.db2.gz PWDGYKQLTFJDKZ-CYBMUJFWSA-N 2 2 329.404 1.613 20 5 EDBDLP C[C@H](CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)[NH+]1CCN(C)CC1 ZINC000601111262 449694689 /nfs/dbraw/zinc/69/46/89/449694689.db2.gz PWDGYKQLTFJDKZ-CYBMUJFWSA-N 2 2 329.404 1.613 20 5 EDBDLP C[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000900380480 592002121 /nfs/dbraw/zinc/00/21/21/592002121.db2.gz MGWIMIAWSZATQG-HOCLYGCPSA-N 2 2 348.447 1.848 20 5 EDBDLP O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000852009262 596006339 /nfs/dbraw/zinc/00/63/39/596006339.db2.gz LDIQMFCLRSQJFD-SJLPKXTDSA-N 2 2 349.431 1.815 20 5 EDBDLP O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000852009262 596006343 /nfs/dbraw/zinc/00/63/43/596006343.db2.gz LDIQMFCLRSQJFD-SJLPKXTDSA-N 2 2 349.431 1.815 20 5 EDBDLP O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000852707673 596230853 /nfs/dbraw/zinc/23/08/53/596230853.db2.gz IPWJPGNULGYUAP-IRXDYDNUSA-N 2 2 335.404 1.159 20 5 EDBDLP O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000852707673 596230854 /nfs/dbraw/zinc/23/08/54/596230854.db2.gz IPWJPGNULGYUAP-IRXDYDNUSA-N 2 2 335.404 1.159 20 5 EDBDLP C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)C2 ZINC000877374498 597504120 /nfs/dbraw/zinc/50/41/20/597504120.db2.gz BAYZPVJTPFNOMG-SUMWQHHRSA-N 2 2 341.371 1.462 20 5 EDBDLP O=C1[C@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000357070325 150911855 /nfs/dbraw/zinc/91/18/55/150911855.db2.gz ATINOBDPSOFFNZ-HEHGZKQESA-N 2 2 330.388 1.241 20 5 EDBDLP O=C1[C@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000357070325 150911856 /nfs/dbraw/zinc/91/18/56/150911856.db2.gz ATINOBDPSOFFNZ-HEHGZKQESA-N 2 2 330.388 1.241 20 5 EDBDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278902452 273269352 /nfs/dbraw/zinc/26/93/52/273269352.db2.gz ZNBKNSINGFHYLD-IRXDYDNUSA-N 2 2 346.431 1.902 20 5 EDBDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278902452 273269353 /nfs/dbraw/zinc/26/93/53/273269353.db2.gz ZNBKNSINGFHYLD-IRXDYDNUSA-N 2 2 346.431 1.902 20 5 EDBDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284146969 274096234 /nfs/dbraw/zinc/09/62/34/274096234.db2.gz PBQDBOPVCYZOHM-BXUZGUMPSA-N 2 2 335.408 1.167 20 5 EDBDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284146969 274096235 /nfs/dbraw/zinc/09/62/35/274096235.db2.gz PBQDBOPVCYZOHM-BXUZGUMPSA-N 2 2 335.408 1.167 20 5 EDBDLP C[C@@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H]1C[NH3+] ZINC000430573339 305056676 /nfs/dbraw/zinc/05/66/76/305056676.db2.gz LRIQWADZLVOMEO-IUODEOHRSA-N 2 2 348.403 1.952 20 5 EDBDLP C[C@@H]1CCC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H]1C[NH3+] ZINC000430573339 305056677 /nfs/dbraw/zinc/05/66/77/305056677.db2.gz LRIQWADZLVOMEO-IUODEOHRSA-N 2 2 348.403 1.952 20 5 EDBDLP CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[NH2+]CC1 ZINC000435624749 305143855 /nfs/dbraw/zinc/14/38/55/305143855.db2.gz JYPMWBGKDFHZMT-HNNXBMFYSA-N 2 2 346.431 1.948 20 5 EDBDLP CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[NH2+]CC1 ZINC000435624749 305143856 /nfs/dbraw/zinc/14/38/56/305143856.db2.gz JYPMWBGKDFHZMT-HNNXBMFYSA-N 2 2 346.431 1.948 20 5 EDBDLP CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000448899993 305303200 /nfs/dbraw/zinc/30/32/00/305303200.db2.gz XSFDSWAVMITIEE-UHFFFAOYSA-N 2 2 343.387 1.995 20 5 EDBDLP CC[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000448899993 305303201 /nfs/dbraw/zinc/30/32/01/305303201.db2.gz XSFDSWAVMITIEE-UHFFFAOYSA-N 2 2 343.387 1.995 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000182243758 442749281 /nfs/dbraw/zinc/74/92/81/442749281.db2.gz QZPONVCLTXDMHB-MRXNPFEDSA-N 2 2 349.431 1.895 20 5 EDBDLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000414547778 319330209 /nfs/dbraw/zinc/33/02/09/319330209.db2.gz JBLGLYLUGMJWFH-ZDUSSCGKSA-N 2 2 337.376 1.330 20 5 EDBDLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000414547778 319330211 /nfs/dbraw/zinc/33/02/11/319330211.db2.gz JBLGLYLUGMJWFH-ZDUSSCGKSA-N 2 2 337.376 1.330 20 5 EDBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3csc([N+](=O)[O-])c3)C2)CC1 ZINC000369265366 446031106 /nfs/dbraw/zinc/03/11/06/446031106.db2.gz GDEIRPLQLDIRBJ-LBPRGKRZSA-N 2 2 338.433 1.555 20 5 EDBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3csc([N+](=O)[O-])c3)C2)CC1 ZINC000369265366 446031110 /nfs/dbraw/zinc/03/11/10/446031110.db2.gz GDEIRPLQLDIRBJ-LBPRGKRZSA-N 2 2 338.433 1.555 20 5 EDBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])s3)C2)CC1 ZINC000369274084 446041189 /nfs/dbraw/zinc/04/11/89/446041189.db2.gz MJQJSFGDKBDZMA-LLVKDONJSA-N 2 2 338.433 1.555 20 5 EDBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])s3)C2)CC1 ZINC000369274084 446041208 /nfs/dbraw/zinc/04/12/08/446041208.db2.gz MJQJSFGDKBDZMA-LLVKDONJSA-N 2 2 338.433 1.555 20 5 EDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000374998235 446502733 /nfs/dbraw/zinc/50/27/33/446502733.db2.gz MCBAYHIPOVNBDT-UHFFFAOYSA-N 2 2 335.404 1.254 20 5 EDBDLP C[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000420181676 447658228 /nfs/dbraw/zinc/65/82/28/447658228.db2.gz FLUFVJRMMOLVBG-DZGCQCFKSA-N 2 2 334.420 1.601 20 5 EDBDLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000422641664 447685365 /nfs/dbraw/zinc/68/53/65/447685365.db2.gz YIWXSMFYVUNPAX-UMVBOHGHSA-N 2 2 346.431 1.789 20 5 EDBDLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000422641664 447685370 /nfs/dbraw/zinc/68/53/70/447685370.db2.gz YIWXSMFYVUNPAX-UMVBOHGHSA-N 2 2 346.431 1.789 20 5 EDBDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000535244937 448492343 /nfs/dbraw/zinc/49/23/43/448492343.db2.gz CIGKZXUOHIIMKU-CQSZACIVSA-N 2 2 346.431 1.506 20 5 EDBDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000535244937 448492346 /nfs/dbraw/zinc/49/23/46/448492346.db2.gz CIGKZXUOHIIMKU-CQSZACIVSA-N 2 2 346.431 1.506 20 5 EDBDLP COCC[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000568649885 448902733 /nfs/dbraw/zinc/90/27/33/448902733.db2.gz PGHDOTMOEFABBM-ZDUSSCGKSA-N 2 2 325.409 1.359 20 5 EDBDLP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000568649885 448902741 /nfs/dbraw/zinc/90/27/41/448902741.db2.gz PGHDOTMOEFABBM-ZDUSSCGKSA-N 2 2 325.409 1.359 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000574632245 448920074 /nfs/dbraw/zinc/92/00/74/448920074.db2.gz ZAKXMGYAPMYOCO-OAHLLOKOSA-N 2 2 346.387 1.657 20 5 EDBDLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000590402259 449148875 /nfs/dbraw/zinc/14/88/75/449148875.db2.gz BPLAFVNUOSGWND-TZMCWYRMSA-N 2 2 343.387 1.945 20 5 EDBDLP CN(CC1C[NH+](C)C1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000596452937 449510635 /nfs/dbraw/zinc/51/06/35/449510635.db2.gz IOKMILQOKBMVNV-UHFFFAOYSA-N 2 2 334.420 1.425 20 5 EDBDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595375311 450087546 /nfs/dbraw/zinc/08/75/46/450087546.db2.gz NDLSSOWKIUJKJR-UKRRQHHQSA-N 2 2 337.424 1.177 20 5 EDBDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595375311 450087551 /nfs/dbraw/zinc/08/75/51/450087551.db2.gz NDLSSOWKIUJKJR-UKRRQHHQSA-N 2 2 337.424 1.177 20 5 EDBDLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595375311 450087555 /nfs/dbraw/zinc/08/75/55/450087555.db2.gz NDLSSOWKIUJKJR-UKRRQHHQSA-N 2 2 337.424 1.177 20 5 EDBDLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595375311 450087558 /nfs/dbraw/zinc/08/75/58/450087558.db2.gz NDLSSOWKIUJKJR-UKRRQHHQSA-N 2 2 337.424 1.177 20 5 EDBDLP O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000262600321 491005022 /nfs/dbraw/zinc/00/50/22/491005022.db2.gz XDCVJXXXURWPHP-LBPRGKRZSA-N 2 2 329.360 1.510 20 5 EDBDLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783605359 580601988 /nfs/dbraw/zinc/60/19/88/580601988.db2.gz ZAERSOKSKHWOBN-UHFFFAOYSA-N 2 2 326.784 1.112 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903866687 592342416 /nfs/dbraw/zinc/34/24/16/592342416.db2.gz WXYVEKXNTIYNIX-QGZVFWFLSA-N 2 2 348.403 1.760 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903866687 592342420 /nfs/dbraw/zinc/34/24/20/592342420.db2.gz WXYVEKXNTIYNIX-QGZVFWFLSA-N 2 2 348.403 1.760 20 5 EDBDLP C[C@]1(C[NH3+])CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000262147837 139255162 /nfs/dbraw/zinc/25/51/62/139255162.db2.gz XIMQEYGAEQXFKM-MRXNPFEDSA-N 2 2 329.360 1.591 20 5 EDBDLP C[C@H]1[NH2+]CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H]1C ZINC000262917081 139312559 /nfs/dbraw/zinc/31/25/59/139312559.db2.gz ZADFOOCZMMMCRG-VXGBXAGGSA-N 2 2 329.360 1.603 20 5 EDBDLP C[C@H]([NH3+])[C@@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420188681 274504065 /nfs/dbraw/zinc/50/40/65/274504065.db2.gz OMBQBZSALJNZOQ-GOEBONIOSA-N 2 2 348.447 1.991 20 5 EDBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000535316017 306012896 /nfs/dbraw/zinc/01/28/96/306012896.db2.gz RRAUGAKFBVXUKX-LBPRGKRZSA-N 2 2 329.360 1.756 20 5 EDBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000535316017 306012897 /nfs/dbraw/zinc/01/28/97/306012897.db2.gz RRAUGAKFBVXUKX-LBPRGKRZSA-N 2 2 329.360 1.756 20 5 EDBDLP Cc1cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000177155806 442306564 /nfs/dbraw/zinc/30/65/64/442306564.db2.gz JXEGMYZXJQTLTN-UHFFFAOYSA-N 2 2 334.420 1.659 20 5 EDBDLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000193496591 442748862 /nfs/dbraw/zinc/74/88/62/442748862.db2.gz QPLQTLYRLVHXTR-AAEUAGOBSA-N 2 2 329.360 1.651 20 5 EDBDLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000261819716 443170874 /nfs/dbraw/zinc/17/08/74/443170874.db2.gz AQBJXUSYWIHNQK-UHFFFAOYSA-N 2 2 326.784 1.112 20 5 EDBDLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000261819716 443170880 /nfs/dbraw/zinc/17/08/80/443170880.db2.gz AQBJXUSYWIHNQK-UHFFFAOYSA-N 2 2 326.784 1.112 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342114785 445180125 /nfs/dbraw/zinc/18/01/25/445180125.db2.gz WSMQTCQVHFCIDL-QEJZJMRPSA-N 2 2 332.404 1.901 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342114785 445180126 /nfs/dbraw/zinc/18/01/26/445180126.db2.gz WSMQTCQVHFCIDL-QEJZJMRPSA-N 2 2 332.404 1.901 20 5 EDBDLP C[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C[NH3+] ZINC000420395186 446570491 /nfs/dbraw/zinc/57/04/91/446570491.db2.gz CZUYALMVMKKVBD-JSGCOSHPSA-N 2 2 332.404 1.401 20 5 EDBDLP C[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C[NH3+] ZINC000420395186 446570495 /nfs/dbraw/zinc/57/04/95/446570495.db2.gz CZUYALMVMKKVBD-JSGCOSHPSA-N 2 2 332.404 1.401 20 5 EDBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3c(N)cccc3[N+](=O)[O-])C2)CC1 ZINC000367899163 446606455 /nfs/dbraw/zinc/60/64/55/446606455.db2.gz BLFCTSRCUWUXBY-LBPRGKRZSA-N 2 2 347.419 1.075 20 5 EDBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3c(N)cccc3[N+](=O)[O-])C2)CC1 ZINC000367899163 446606467 /nfs/dbraw/zinc/60/64/67/446606467.db2.gz BLFCTSRCUWUXBY-LBPRGKRZSA-N 2 2 347.419 1.075 20 5 EDBDLP O=C(N[C@H]1CCC[NH2+]CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000368720438 447065297 /nfs/dbraw/zinc/06/52/97/447065297.db2.gz YJOFQXHQWBUGHL-ZDUSSCGKSA-N 2 2 329.360 1.652 20 5 EDBDLP C[N@@H+]1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000576012030 447951304 /nfs/dbraw/zinc/95/13/04/447951304.db2.gz OTJAXASKCWRIDP-ZDUSSCGKSA-N 2 2 349.435 1.999 20 5 EDBDLP C[N@H+]1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000576012030 447951310 /nfs/dbraw/zinc/95/13/10/447951310.db2.gz OTJAXASKCWRIDP-ZDUSSCGKSA-N 2 2 349.435 1.999 20 5 EDBDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000590053956 449102232 /nfs/dbraw/zinc/10/22/32/449102232.db2.gz ZEWYDPBYESMYLV-QGZVFWFLSA-N 2 2 333.388 1.894 20 5 EDBDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000590053956 449102234 /nfs/dbraw/zinc/10/22/34/449102234.db2.gz ZEWYDPBYESMYLV-QGZVFWFLSA-N 2 2 333.388 1.894 20 5 EDBDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000590053956 449102236 /nfs/dbraw/zinc/10/22/36/449102236.db2.gz ZEWYDPBYESMYLV-QGZVFWFLSA-N 2 2 333.388 1.894 20 5 EDBDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000590053956 449102237 /nfs/dbraw/zinc/10/22/37/449102237.db2.gz ZEWYDPBYESMYLV-QGZVFWFLSA-N 2 2 333.388 1.894 20 5 EDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000597990199 449174598 /nfs/dbraw/zinc/17/45/98/449174598.db2.gz QWIKDTJOEORVKF-UHFFFAOYSA-N 2 2 347.419 1.689 20 5 EDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000597990199 449174601 /nfs/dbraw/zinc/17/46/01/449174601.db2.gz QWIKDTJOEORVKF-UHFFFAOYSA-N 2 2 347.419 1.689 20 5 EDBDLP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000593979933 449311609 /nfs/dbraw/zinc/31/16/09/449311609.db2.gz UILJBSCWBAERTA-UHFFFAOYSA-N 2 2 345.359 1.427 20 5 EDBDLP Cc1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596819591 449667391 /nfs/dbraw/zinc/66/73/91/449667391.db2.gz BOYOLRVHHBBAAJ-UHFFFAOYSA-N 2 2 337.424 1.908 20 5 EDBDLP Cc1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596819591 449667397 /nfs/dbraw/zinc/66/73/97/449667397.db2.gz BOYOLRVHHBBAAJ-UHFFFAOYSA-N 2 2 337.424 1.908 20 5 EDBDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000598990226 449683048 /nfs/dbraw/zinc/68/30/48/449683048.db2.gz KWBDZCYQHDWWIU-SEJWUHKESA-N 2 2 332.404 1.537 20 5 EDBDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000598990226 449683050 /nfs/dbraw/zinc/68/30/50/449683050.db2.gz KWBDZCYQHDWWIU-SEJWUHKESA-N 2 2 332.404 1.537 20 5 EDBDLP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000863550714 596615198 /nfs/dbraw/zinc/61/51/98/596615198.db2.gz DMYMIJJDFTVZIM-UHFFFAOYSA-N 2 2 344.799 1.355 20 5 EDBDLP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000863550714 596615200 /nfs/dbraw/zinc/61/52/00/596615200.db2.gz DMYMIJJDFTVZIM-UHFFFAOYSA-N 2 2 344.799 1.355 20 5 EDBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129307671 223042874 /nfs/dbraw/zinc/04/28/74/223042874.db2.gz PQFGVVODLOPKMH-HNNXBMFYSA-N 2 2 335.404 1.628 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000567711883 306460241 /nfs/dbraw/zinc/46/02/41/306460241.db2.gz UHZGHBJCCKGGOE-OLZOCXBDSA-N 2 2 332.360 1.136 20 5 EDBDLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000262815010 139305552 /nfs/dbraw/zinc/30/55/52/139305552.db2.gz PBPWNDZLUIYSLT-YPMHNXCESA-N 2 2 329.360 1.508 20 5 EDBDLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000262815007 139305644 /nfs/dbraw/zinc/30/56/44/139305644.db2.gz PBPWNDZLUIYSLT-WCQYABFASA-N 2 2 329.360 1.508 20 5 EDBDLP CCC[NH+]1CCC([NH+]2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000363646245 153021408 /nfs/dbraw/zinc/02/14/08/153021408.db2.gz VQELZLZUXWMNNU-UHFFFAOYSA-N 2 2 333.436 1.986 20 5 EDBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000364206215 153173182 /nfs/dbraw/zinc/17/31/82/153173182.db2.gz JXLBZNKHELZVKL-CQSZACIVSA-N 2 2 332.404 1.493 20 5 EDBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000364206215 153173183 /nfs/dbraw/zinc/17/31/83/153173183.db2.gz JXLBZNKHELZVKL-CQSZACIVSA-N 2 2 332.404 1.493 20 5 EDBDLP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000374596595 157340812 /nfs/dbraw/zinc/34/08/12/157340812.db2.gz RSPRJDIDJLRKNE-OAHLLOKOSA-N 2 2 349.431 1.895 20 5 EDBDLP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000374596595 157340815 /nfs/dbraw/zinc/34/08/15/157340815.db2.gz RSPRJDIDJLRKNE-OAHLLOKOSA-N 2 2 349.431 1.895 20 5 EDBDLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000352546588 162243475 /nfs/dbraw/zinc/24/34/75/162243475.db2.gz XMHTYZJJFGQXBF-HNNXBMFYSA-N 2 2 335.404 1.758 20 5 EDBDLP COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000352546588 162243478 /nfs/dbraw/zinc/24/34/78/162243478.db2.gz XMHTYZJJFGQXBF-HNNXBMFYSA-N 2 2 335.404 1.758 20 5 EDBDLP C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000420291637 304743627 /nfs/dbraw/zinc/74/36/27/304743627.db2.gz XLTIXDYVYSDKEI-RDTXWAMCSA-N 2 2 348.447 1.848 20 5 EDBDLP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422637580 304875489 /nfs/dbraw/zinc/87/54/89/304875489.db2.gz OWGJOEXOXHBFSQ-UHFFFAOYSA-N 2 2 346.387 1.721 20 5 EDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000449119992 305307119 /nfs/dbraw/zinc/30/71/19/305307119.db2.gz BOZXIQZRJLFDCC-XJKSGUPXSA-N 2 2 334.420 1.455 20 5 EDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000449119992 305307120 /nfs/dbraw/zinc/30/71/20/305307120.db2.gz BOZXIQZRJLFDCC-XJKSGUPXSA-N 2 2 334.420 1.455 20 5 EDBDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000107370361 441414711 /nfs/dbraw/zinc/41/47/11/441414711.db2.gz GIPOMCLHVWZTFM-CQSZACIVSA-N 2 2 336.411 1.946 20 5 EDBDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000107370361 441414714 /nfs/dbraw/zinc/41/47/14/441414714.db2.gz GIPOMCLHVWZTFM-CQSZACIVSA-N 2 2 336.411 1.946 20 5 EDBDLP Cc1cc[nH+]c(N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)c1 ZINC000132630748 442397453 /nfs/dbraw/zinc/39/74/53/442397453.db2.gz JZSPETSYZCLETE-UHFFFAOYSA-N 2 2 343.387 1.282 20 5 EDBDLP CC[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448765250 320157666 /nfs/dbraw/zinc/15/76/66/320157666.db2.gz XFMGSGBPACQSRJ-CYBMUJFWSA-N 2 2 343.387 1.852 20 5 EDBDLP CC[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448765250 320157667 /nfs/dbraw/zinc/15/76/67/320157667.db2.gz XFMGSGBPACQSRJ-CYBMUJFWSA-N 2 2 343.387 1.852 20 5 EDBDLP C[C@@H](CC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448974990 320168395 /nfs/dbraw/zinc/16/83/95/320168395.db2.gz FIPJZOLBHAQIAL-LBPRGKRZSA-N 2 2 331.376 1.851 20 5 EDBDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000305176246 444263096 /nfs/dbraw/zinc/26/30/96/444263096.db2.gz LPSJLJCWGUMNAP-QZTJIDSGSA-N 2 2 348.447 1.340 20 5 EDBDLP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000305176246 444263100 /nfs/dbraw/zinc/26/31/00/444263100.db2.gz LPSJLJCWGUMNAP-QZTJIDSGSA-N 2 2 348.447 1.340 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000342760633 444853071 /nfs/dbraw/zinc/85/30/71/444853071.db2.gz ZRKAPAYXQDTDRS-KGLIPLIRSA-N 2 2 346.387 1.937 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000342760633 444853074 /nfs/dbraw/zinc/85/30/74/444853074.db2.gz ZRKAPAYXQDTDRS-KGLIPLIRSA-N 2 2 346.387 1.937 20 5 EDBDLP CN(c1ncc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000591147027 448272459 /nfs/dbraw/zinc/27/24/59/448272459.db2.gz BTELLABTCKOESJ-CYBMUJFWSA-N 2 2 337.399 1.734 20 5 EDBDLP CN(c1ncc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000591147027 448272464 /nfs/dbraw/zinc/27/24/64/448272464.db2.gz BTELLABTCKOESJ-CYBMUJFWSA-N 2 2 337.399 1.734 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591448939 448366712 /nfs/dbraw/zinc/36/67/12/448366712.db2.gz RCIBXWNKVOTPEL-DOMZBBRYSA-N 2 2 348.403 1.616 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591448939 448366715 /nfs/dbraw/zinc/36/67/15/448366715.db2.gz RCIBXWNKVOTPEL-DOMZBBRYSA-N 2 2 348.403 1.616 20 5 EDBDLP COc1cc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000592185537 448727180 /nfs/dbraw/zinc/72/71/80/448727180.db2.gz XBITUWYKCUCTDA-UHFFFAOYSA-N 2 2 335.404 1.900 20 5 EDBDLP COc1cc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000592185537 448727188 /nfs/dbraw/zinc/72/71/88/448727188.db2.gz XBITUWYKCUCTDA-UHFFFAOYSA-N 2 2 335.404 1.900 20 5 EDBDLP Cn1cc(C[NH2+]CC23CC(C2)C[NH2+]3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596109004 449365801 /nfs/dbraw/zinc/36/58/01/449365801.db2.gz RQFSQMUSKWPFTC-UHFFFAOYSA-N 2 2 327.388 1.837 20 5 EDBDLP C[NH2+]CCOCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000600712484 449510788 /nfs/dbraw/zinc/51/07/88/449510788.db2.gz XDLFTLREVHQIIM-HNNXBMFYSA-N 2 2 333.392 1.243 20 5 EDBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCn3cc[nH+]c3)CC2)cn1 ZINC000602504301 449636632 /nfs/dbraw/zinc/63/66/32/449636632.db2.gz OVJYBKAPQQEABL-UHFFFAOYSA-N 2 2 330.392 1.835 20 5 EDBDLP CNC(=O)C[NH+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601099884 449689544 /nfs/dbraw/zinc/68/95/44/449689544.db2.gz BISUCPOYMDRKET-UHFFFAOYSA-N 2 2 329.360 1.011 20 5 EDBDLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183327821 528085025 /nfs/dbraw/zinc/08/50/25/528085025.db2.gz UNMDCZFEQDAZPB-UHFFFAOYSA-N 2 2 348.447 1.889 20 5 EDBDLP COc1cc(C[NH2+]CC2([NH3+])CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000904445642 592262703 /nfs/dbraw/zinc/26/27/03/592262703.db2.gz ZCEPRIUSEOQOPK-UHFFFAOYSA-N 2 2 331.319 1.828 20 5 EDBDLP O=C(CC[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000866724776 596311427 /nfs/dbraw/zinc/31/14/27/596311427.db2.gz OTMACLAGXNMONT-HIFRSBDPSA-N 2 2 336.367 1.889 20 5 EDBDLP O=C(CC[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000866724776 596311430 /nfs/dbraw/zinc/31/14/30/596311430.db2.gz OTMACLAGXNMONT-HIFRSBDPSA-N 2 2 336.367 1.889 20 5 EDBDLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001004256224 704083288 /nfs/dbraw/zinc/08/32/88/704083288.db2.gz DEBWHSQCBHRBPF-UHFFFAOYSA-N 2 2 343.387 1.572 20 5 EDBDLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000369880423 155216539 /nfs/dbraw/zinc/21/65/39/155216539.db2.gz ALXWUOXTRVJQCD-RDJZCZTQSA-N 2 2 348.447 1.652 20 5 EDBDLP C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354952006 150051578 /nfs/dbraw/zinc/05/15/78/150051578.db2.gz PCMJXADYEOEVDY-LBPRGKRZSA-N 2 2 335.408 1.163 20 5 EDBDLP C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354952006 150051580 /nfs/dbraw/zinc/05/15/80/150051580.db2.gz PCMJXADYEOEVDY-LBPRGKRZSA-N 2 2 335.408 1.163 20 5 EDBDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(OC)c3)C2)CC1 ZINC000352405189 162167761 /nfs/dbraw/zinc/16/77/61/162167761.db2.gz LMWAREAGXLZATN-INIZCTEOSA-N 2 2 348.447 1.815 20 5 EDBDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(OC)c3)C2)CC1 ZINC000352405189 162167765 /nfs/dbraw/zinc/16/77/65/162167765.db2.gz LMWAREAGXLZATN-INIZCTEOSA-N 2 2 348.447 1.815 20 5 EDBDLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414970515 447378412 /nfs/dbraw/zinc/37/84/12/447378412.db2.gz UZIXWXVOZSMXIN-GFCCVEGCSA-N 2 2 330.335 1.189 20 5 EDBDLP C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[N@@H+]1C ZINC000449939795 447416141 /nfs/dbraw/zinc/41/61/41/447416141.db2.gz KDJFDNBMVPDNEY-OCCSQVGLSA-N 2 2 343.387 1.993 20 5 EDBDLP C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[N@H+]1C ZINC000449939795 447416145 /nfs/dbraw/zinc/41/61/45/447416145.db2.gz KDJFDNBMVPDNEY-OCCSQVGLSA-N 2 2 343.387 1.993 20 5 EDBDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000088607417 441514922 /nfs/dbraw/zinc/51/49/22/441514922.db2.gz CQWLZISDRYDECN-UHFFFAOYSA-N 2 2 346.431 1.553 20 5 EDBDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000088607417 441514927 /nfs/dbraw/zinc/51/49/27/441514927.db2.gz CQWLZISDRYDECN-UHFFFAOYSA-N 2 2 346.431 1.553 20 5 EDBDLP COc1ccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1[N+](=O)[O-] ZINC000089926288 441596846 /nfs/dbraw/zinc/59/68/46/441596846.db2.gz LMWZTTRCGLLOJE-UHFFFAOYSA-N 2 2 331.376 1.659 20 5 EDBDLP C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000172029092 442401583 /nfs/dbraw/zinc/40/15/83/442401583.db2.gz IBUCNNWRAHAELS-CYBMUJFWSA-N 2 2 343.387 1.804 20 5 EDBDLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182294772 442754165 /nfs/dbraw/zinc/75/41/65/442754165.db2.gz VWZPQOLJVFQXGB-CQSZACIVSA-N 2 2 334.376 1.553 20 5 EDBDLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182294772 442754168 /nfs/dbraw/zinc/75/41/68/442754168.db2.gz VWZPQOLJVFQXGB-CQSZACIVSA-N 2 2 334.376 1.553 20 5 EDBDLP CC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000412879512 319247323 /nfs/dbraw/zinc/24/73/23/319247323.db2.gz PHYVQANVIQWEGI-CYBMUJFWSA-N 2 2 329.360 1.605 20 5 EDBDLP CC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000412879512 319247326 /nfs/dbraw/zinc/24/73/26/319247326.db2.gz PHYVQANVIQWEGI-CYBMUJFWSA-N 2 2 329.360 1.605 20 5 EDBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000289833818 444209286 /nfs/dbraw/zinc/20/92/86/444209286.db2.gz BKMYIHBJPUPJLR-KGLIPLIRSA-N 2 2 341.371 1.462 20 5 EDBDLP Cc1nn(C)c(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1[N+](=O)[O-] ZINC000301856941 444193837 /nfs/dbraw/zinc/19/38/37/444193837.db2.gz ROCDVZWTLCHUAK-YIONKMFJSA-N 2 2 348.451 1.384 20 5 EDBDLP Cc1nn(C)c(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1[N+](=O)[O-] ZINC000301856941 444193838 /nfs/dbraw/zinc/19/38/38/444193838.db2.gz ROCDVZWTLCHUAK-YIONKMFJSA-N 2 2 348.451 1.384 20 5 EDBDLP Cc1c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000369275055 446039652 /nfs/dbraw/zinc/03/96/52/446039652.db2.gz VACNYKHRQFBNDR-AWEZNQCLSA-N 2 2 346.431 1.802 20 5 EDBDLP Cc1c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000369275055 446039656 /nfs/dbraw/zinc/03/96/56/446039656.db2.gz VACNYKHRQFBNDR-AWEZNQCLSA-N 2 2 346.431 1.802 20 5 EDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@@H]12 ZINC000351476535 446076817 /nfs/dbraw/zinc/07/68/17/446076817.db2.gz LAHOEYFIZSAGOT-BPLDGKMQSA-N 2 2 330.388 1.153 20 5 EDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@@H]12 ZINC000351476535 446076822 /nfs/dbraw/zinc/07/68/22/446076822.db2.gz LAHOEYFIZSAGOT-BPLDGKMQSA-N 2 2 330.388 1.153 20 5 EDBDLP CC[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592331340 448794142 /nfs/dbraw/zinc/79/41/42/448794142.db2.gz IPQKWDSGQPLMFJ-GXTWGEPZSA-N 2 2 343.387 1.980 20 5 EDBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582296669 449059404 /nfs/dbraw/zinc/05/94/04/449059404.db2.gz QVAYTNQJXXKOJZ-VHDGCEQUSA-N 2 2 335.404 1.407 20 5 EDBDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582296669 449059409 /nfs/dbraw/zinc/05/94/09/449059409.db2.gz QVAYTNQJXXKOJZ-VHDGCEQUSA-N 2 2 335.404 1.407 20 5 EDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000597989276 449173627 /nfs/dbraw/zinc/17/36/27/449173627.db2.gz BFUPHTUEPUBLNG-UHFFFAOYSA-N 2 2 348.407 1.084 20 5 EDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000597989276 449173628 /nfs/dbraw/zinc/17/36/28/449173628.db2.gz BFUPHTUEPUBLNG-UHFFFAOYSA-N 2 2 348.407 1.084 20 5 EDBDLP COC(=O)COc1ccc(C[NH2+]C2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000594514649 449559638 /nfs/dbraw/zinc/55/96/38/449559638.db2.gz YLCPAJGUFCIGAK-UHFFFAOYSA-N 2 2 337.376 1.329 20 5 EDBDLP O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000601333365 449840933 /nfs/dbraw/zinc/84/09/33/449840933.db2.gz CQRVCWFCKHBLIF-ZFWWWQNUSA-N 2 2 332.404 1.997 20 5 EDBDLP O=C(CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000601333365 449840936 /nfs/dbraw/zinc/84/09/36/449840936.db2.gz CQRVCWFCKHBLIF-ZFWWWQNUSA-N 2 2 332.404 1.997 20 5 EDBDLP CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609560134 450051170 /nfs/dbraw/zinc/05/11/70/450051170.db2.gz VMPMEODWESMRJP-CYBMUJFWSA-N 2 2 335.408 1.163 20 5 EDBDLP CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609560134 450051174 /nfs/dbraw/zinc/05/11/74/450051174.db2.gz VMPMEODWESMRJP-CYBMUJFWSA-N 2 2 335.408 1.163 20 5 EDBDLP O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000801569430 581080479 /nfs/dbraw/zinc/08/04/79/581080479.db2.gz RUNOKFRBJFQCSZ-CRAIPNDOSA-N 2 2 349.431 1.672 20 5 EDBDLP O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000801569430 581080480 /nfs/dbraw/zinc/08/04/80/581080480.db2.gz RUNOKFRBJFQCSZ-CRAIPNDOSA-N 2 2 349.431 1.672 20 5 EDBDLP C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C[NH3+])C1 ZINC000841103945 591195023 /nfs/dbraw/zinc/19/50/23/591195023.db2.gz TUKCKGKZSKYWGF-SNVBAGLBSA-N 2 2 327.772 1.355 20 5 EDBDLP C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C[NH3+])C1 ZINC000841103945 591195025 /nfs/dbraw/zinc/19/50/25/591195025.db2.gz TUKCKGKZSKYWGF-SNVBAGLBSA-N 2 2 327.772 1.355 20 5 EDBDLP C[NH+](C)Cc1csc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000905534298 592554457 /nfs/dbraw/zinc/55/44/57/592554457.db2.gz XIQHCOREVNECSJ-AWEZNQCLSA-N 2 2 336.417 1.936 20 5 EDBDLP C/C(=C\C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000855415011 595704527 /nfs/dbraw/zinc/70/45/27/595704527.db2.gz PWRUFWRRSPLPOC-CCEZHUSRSA-N 2 2 348.447 1.998 20 5 EDBDLP C/C(=C\C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000855415011 595704529 /nfs/dbraw/zinc/70/45/29/595704529.db2.gz PWRUFWRRSPLPOC-CCEZHUSRSA-N 2 2 348.447 1.998 20 5 EDBDLP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000866249511 596837477 /nfs/dbraw/zinc/83/74/77/596837477.db2.gz KNBCURPIDOSZDM-LBPRGKRZSA-N 2 2 338.383 1.029 20 5 EDBDLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178146214 232094065 /nfs/dbraw/zinc/09/40/65/232094065.db2.gz TVRWNCSCLYABDL-QWHCGFSZSA-N 2 2 329.360 1.638 20 5 EDBDLP [NH3+]CC1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCC1 ZINC000237790153 139060532 /nfs/dbraw/zinc/06/05/32/139060532.db2.gz DGZKCXOTEPPAIM-UHFFFAOYSA-N 2 2 329.360 1.782 20 5 EDBDLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000261731242 139221426 /nfs/dbraw/zinc/22/14/26/139221426.db2.gz JWQRVXYKCLDQCL-CQSZACIVSA-N 2 2 326.784 1.857 20 5 EDBDLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000261731242 139221427 /nfs/dbraw/zinc/22/14/27/139221427.db2.gz JWQRVXYKCLDQCL-CQSZACIVSA-N 2 2 326.784 1.857 20 5 EDBDLP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000366518254 162388649 /nfs/dbraw/zinc/38/86/49/162388649.db2.gz IAMVEZKHGOSUGM-WMZOPIPTSA-N 2 2 344.415 1.728 20 5 EDBDLP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000366518254 162388653 /nfs/dbraw/zinc/38/86/53/162388653.db2.gz IAMVEZKHGOSUGM-WMZOPIPTSA-N 2 2 344.415 1.728 20 5 EDBDLP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000366518254 162388654 /nfs/dbraw/zinc/38/86/54/162388654.db2.gz IAMVEZKHGOSUGM-WMZOPIPTSA-N 2 2 344.415 1.728 20 5 EDBDLP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000366518254 162388659 /nfs/dbraw/zinc/38/86/59/162388659.db2.gz IAMVEZKHGOSUGM-WMZOPIPTSA-N 2 2 344.415 1.728 20 5 EDBDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000123351095 222262495 /nfs/dbraw/zinc/26/24/95/222262495.db2.gz NERCUBJEXGOOCM-UKRRQHHQSA-N 2 2 346.431 1.898 20 5 EDBDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000123351095 222262501 /nfs/dbraw/zinc/26/25/01/222262501.db2.gz NERCUBJEXGOOCM-UKRRQHHQSA-N 2 2 346.431 1.898 20 5 EDBDLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[NH+]1C ZINC000123351095 222262504 /nfs/dbraw/zinc/26/25/04/222262504.db2.gz NERCUBJEXGOOCM-UKRRQHHQSA-N 2 2 346.431 1.898 20 5 EDBDLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[NH+]1C ZINC000123351095 222262507 /nfs/dbraw/zinc/26/25/07/222262507.db2.gz NERCUBJEXGOOCM-UKRRQHHQSA-N 2 2 346.431 1.898 20 5 EDBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000430567734 305056210 /nfs/dbraw/zinc/05/62/10/305056210.db2.gz GDBSRAQHMSYCEJ-TZMCWYRMSA-N 2 2 332.404 1.543 20 5 EDBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000430567734 305056211 /nfs/dbraw/zinc/05/62/11/305056211.db2.gz GDBSRAQHMSYCEJ-TZMCWYRMSA-N 2 2 332.404 1.543 20 5 EDBDLP CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000451676410 305361475 /nfs/dbraw/zinc/36/14/75/305361475.db2.gz FHUUTKZLJVGSDG-CYBMUJFWSA-N 2 2 343.387 1.947 20 5 EDBDLP CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000451676410 305361476 /nfs/dbraw/zinc/36/14/76/305361476.db2.gz FHUUTKZLJVGSDG-CYBMUJFWSA-N 2 2 343.387 1.947 20 5 EDBDLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000414547776 319330149 /nfs/dbraw/zinc/33/01/49/319330149.db2.gz JBLGLYLUGMJWFH-CYBMUJFWSA-N 2 2 337.376 1.330 20 5 EDBDLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000414547776 319330150 /nfs/dbraw/zinc/33/01/50/319330150.db2.gz JBLGLYLUGMJWFH-CYBMUJFWSA-N 2 2 337.376 1.330 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266956249 443302710 /nfs/dbraw/zinc/30/27/10/443302710.db2.gz VNQSYZVAIYXKJT-HIFRSBDPSA-N 2 2 346.387 1.937 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266956249 443302714 /nfs/dbraw/zinc/30/27/14/443302714.db2.gz VNQSYZVAIYXKJT-HIFRSBDPSA-N 2 2 346.387 1.937 20 5 EDBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293508040 444037850 /nfs/dbraw/zinc/03/78/50/444037850.db2.gz SVZUACYMORCSDC-KGLIPLIRSA-N 2 2 341.371 1.605 20 5 EDBDLP COC(=O)COc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000357125804 445441183 /nfs/dbraw/zinc/44/11/83/445441183.db2.gz WNKSYJICJPEHJH-KGLIPLIRSA-N 2 2 349.387 1.188 20 5 EDBDLP COC(=O)COc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000357125804 445441187 /nfs/dbraw/zinc/44/11/87/445441187.db2.gz WNKSYJICJPEHJH-KGLIPLIRSA-N 2 2 349.387 1.188 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351475175 446076753 /nfs/dbraw/zinc/07/67/53/446076753.db2.gz HQLQVPMPAZETTI-VTPLQMEGSA-N 2 2 348.403 1.600 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351475175 446076759 /nfs/dbraw/zinc/07/67/59/446076759.db2.gz HQLQVPMPAZETTI-VTPLQMEGSA-N 2 2 348.403 1.600 20 5 EDBDLP CN(C)c1[nH+]cc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)n1C ZINC000601150466 449719016 /nfs/dbraw/zinc/71/90/16/449719016.db2.gz XVLDPGSZWARPHJ-INIZCTEOSA-N 2 2 333.392 1.392 20 5 EDBDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602814261 449827413 /nfs/dbraw/zinc/82/74/13/449827413.db2.gz YSEZUNCVABIQAE-ZFWWWQNUSA-N 2 2 339.440 1.555 20 5 EDBDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602814261 449827419 /nfs/dbraw/zinc/82/74/19/449827419.db2.gz YSEZUNCVABIQAE-ZFWWWQNUSA-N 2 2 339.440 1.555 20 5 EDBDLP CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609560135 450051670 /nfs/dbraw/zinc/05/16/70/450051670.db2.gz VMPMEODWESMRJP-ZDUSSCGKSA-N 2 2 335.408 1.163 20 5 EDBDLP CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609560135 450051675 /nfs/dbraw/zinc/05/16/75/450051675.db2.gz VMPMEODWESMRJP-ZDUSSCGKSA-N 2 2 335.408 1.163 20 5 EDBDLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000749664497 579734021 /nfs/dbraw/zinc/73/40/21/579734021.db2.gz RKMXIMVCLTVTTF-VBQJREDUSA-N 2 2 337.420 1.717 20 5 EDBDLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000749664497 579734023 /nfs/dbraw/zinc/73/40/23/579734023.db2.gz RKMXIMVCLTVTTF-VBQJREDUSA-N 2 2 337.420 1.717 20 5 EDBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794637624 580901166 /nfs/dbraw/zinc/90/11/66/580901166.db2.gz YZCGTCUXFLFALX-NSHDSACASA-N 2 2 343.343 1.683 20 5 EDBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794637624 580901167 /nfs/dbraw/zinc/90/11/67/580901167.db2.gz YZCGTCUXFLFALX-NSHDSACASA-N 2 2 343.343 1.683 20 5 EDBDLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000843377143 595093531 /nfs/dbraw/zinc/09/35/31/595093531.db2.gz OSQPGPBQSOCSPV-AWEZNQCLSA-N 2 2 338.383 1.553 20 5 EDBDLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000843377143 595093535 /nfs/dbraw/zinc/09/35/35/595093535.db2.gz OSQPGPBQSOCSPV-AWEZNQCLSA-N 2 2 338.383 1.553 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866722173 596310452 /nfs/dbraw/zinc/31/04/52/596310452.db2.gz VKNPDDZAOHGGRQ-UKRRQHHQSA-N 2 2 348.403 1.758 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866722173 596310456 /nfs/dbraw/zinc/31/04/56/596310456.db2.gz VKNPDDZAOHGGRQ-UKRRQHHQSA-N 2 2 348.403 1.758 20 5 EDBDLP [NH3+]C1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000237816372 698384600 /nfs/dbraw/zinc/38/46/00/698384600.db2.gz LZXMJTJBCMYEED-UHFFFAOYSA-N 2 2 329.360 1.780 20 5 EDBDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072823324 203246106 /nfs/dbraw/zinc/24/61/06/203246106.db2.gz KDWUQCGJBYPECE-CYBMUJFWSA-N 2 2 334.420 1.857 20 5 EDBDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072823324 203246109 /nfs/dbraw/zinc/24/61/09/203246109.db2.gz KDWUQCGJBYPECE-CYBMUJFWSA-N 2 2 334.420 1.857 20 5 EDBDLP C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000332403329 141176248 /nfs/dbraw/zinc/17/62/48/141176248.db2.gz VLWBSEWFFXEBHL-RHSMWYFYSA-N 2 2 348.447 1.758 20 5 EDBDLP C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000332403329 141176250 /nfs/dbraw/zinc/17/62/50/141176250.db2.gz VLWBSEWFFXEBHL-RHSMWYFYSA-N 2 2 348.447 1.758 20 5 EDBDLP CCn1cc[nH+]c1CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CC12CC[NH2+]CC2 ZINC000370165276 155357641 /nfs/dbraw/zinc/35/76/41/155357641.db2.gz UYPFNTQGXJEIFC-MGPQQGTHSA-N 2 2 347.419 1.039 20 5 EDBDLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000372045216 278373014 /nfs/dbraw/zinc/37/30/14/278373014.db2.gz ATEHRFRQJBRSJT-NVXWUHKLSA-N 2 2 348.447 1.652 20 5 EDBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293508049 302976977 /nfs/dbraw/zinc/97/69/77/302976977.db2.gz SVZUACYMORCSDC-ZIAGYGMSSA-N 2 2 341.371 1.605 20 5 EDBDLP Cc1c([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000268897877 443140984 /nfs/dbraw/zinc/14/09/84/443140984.db2.gz KNWUJXNKLGSALI-CZUORRHYSA-N 2 2 334.420 1.894 20 5 EDBDLP Cc1c([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000268897877 443140987 /nfs/dbraw/zinc/14/09/87/443140987.db2.gz KNWUJXNKLGSALI-CZUORRHYSA-N 2 2 334.420 1.894 20 5 EDBDLP C[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000338794165 444854708 /nfs/dbraw/zinc/85/47/08/444854708.db2.gz KVDKARVGTKBVEG-GJZGRUSLSA-N 2 2 348.447 1.956 20 5 EDBDLP Cc1c(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cccc1[N+](=O)[O-] ZINC000362826647 445567943 /nfs/dbraw/zinc/56/79/43/445567943.db2.gz PIRGVEDBGTZYBT-HNNXBMFYSA-N 2 2 332.404 1.299 20 5 EDBDLP Cc1c(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cccc1[N+](=O)[O-] ZINC000362826647 445567949 /nfs/dbraw/zinc/56/79/49/445567949.db2.gz PIRGVEDBGTZYBT-HNNXBMFYSA-N 2 2 332.404 1.299 20 5 EDBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000360634353 445718659 /nfs/dbraw/zinc/71/86/59/445718659.db2.gz CZQYFNATHKGNFY-AWEZNQCLSA-N 2 2 346.431 1.894 20 5 EDBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000360634353 445718663 /nfs/dbraw/zinc/71/86/63/445718663.db2.gz CZQYFNATHKGNFY-AWEZNQCLSA-N 2 2 346.431 1.894 20 5 EDBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000354223548 446019974 /nfs/dbraw/zinc/01/99/74/446019974.db2.gz LIKJUBLSGWKVKO-DOMZBBRYSA-N 2 2 334.420 1.998 20 5 EDBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000354223548 446019979 /nfs/dbraw/zinc/01/99/79/446019979.db2.gz LIKJUBLSGWKVKO-DOMZBBRYSA-N 2 2 334.420 1.998 20 5 EDBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000354223548 446019983 /nfs/dbraw/zinc/01/99/83/446019983.db2.gz LIKJUBLSGWKVKO-DOMZBBRYSA-N 2 2 334.420 1.998 20 5 EDBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000354223548 446019988 /nfs/dbraw/zinc/01/99/88/446019988.db2.gz LIKJUBLSGWKVKO-DOMZBBRYSA-N 2 2 334.420 1.998 20 5 EDBDLP Cc1nc(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000370530279 446319757 /nfs/dbraw/zinc/31/97/57/446319757.db2.gz CDLNXXXOXGMAAN-HNNXBMFYSA-N 2 2 333.436 1.903 20 5 EDBDLP Cc1nc(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000370530279 446319760 /nfs/dbraw/zinc/31/97/60/446319760.db2.gz CDLNXXXOXGMAAN-HNNXBMFYSA-N 2 2 333.436 1.903 20 5 EDBDLP Cc1cc(N2CCC(O)(C[NH3+])CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420269432 446441783 /nfs/dbraw/zinc/44/17/83/446441783.db2.gz HYKMEHOINBJIOC-UHFFFAOYSA-N 2 2 343.387 1.650 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420368326 446546572 /nfs/dbraw/zinc/54/65/72/446546572.db2.gz NOQJJQJWPGZJFW-LYOVBCGYSA-N 2 2 336.392 1.518 20 5 EDBDLP Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377063705 446896443 /nfs/dbraw/zinc/89/64/43/446896443.db2.gz YPUTZXXBBKLJTB-CQSZACIVSA-N 2 2 346.431 1.802 20 5 EDBDLP Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377063705 446896447 /nfs/dbraw/zinc/89/64/47/446896447.db2.gz YPUTZXXBBKLJTB-CQSZACIVSA-N 2 2 346.431 1.802 20 5 EDBDLP C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372522869 447106946 /nfs/dbraw/zinc/10/69/46/447106946.db2.gz OZOIZTMKGUTIKL-RDJZCZTQSA-N 2 2 344.419 1.811 20 5 EDBDLP C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372522869 447106950 /nfs/dbraw/zinc/10/69/50/447106950.db2.gz OZOIZTMKGUTIKL-RDJZCZTQSA-N 2 2 344.419 1.811 20 5 EDBDLP C[NH+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372522869 447106954 /nfs/dbraw/zinc/10/69/54/447106954.db2.gz OZOIZTMKGUTIKL-RDJZCZTQSA-N 2 2 344.419 1.811 20 5 EDBDLP C[NH+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372522869 447106958 /nfs/dbraw/zinc/10/69/58/447106958.db2.gz OZOIZTMKGUTIKL-RDJZCZTQSA-N 2 2 344.419 1.811 20 5 EDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC[C@H]1CC[NH2+]C1 ZINC000420189276 447661249 /nfs/dbraw/zinc/66/12/49/447661249.db2.gz OAJTYZMKUFMJCB-CQSZACIVSA-N 2 2 334.420 1.839 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591447903 448366148 /nfs/dbraw/zinc/36/61/48/448366148.db2.gz CSEJJCJUJQHLLR-CJNGLKHVSA-N 2 2 332.404 1.916 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591447903 448366154 /nfs/dbraw/zinc/36/61/54/448366154.db2.gz CSEJJCJUJQHLLR-CJNGLKHVSA-N 2 2 332.404 1.916 20 5 EDBDLP CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1CC[N@H+](C)C1 ZINC000597946943 449155180 /nfs/dbraw/zinc/15/51/80/449155180.db2.gz SVBDOXMFLCHNNB-AWEZNQCLSA-N 2 2 343.387 1.947 20 5 EDBDLP CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1CC[N@@H+](C)C1 ZINC000597946943 449155182 /nfs/dbraw/zinc/15/51/82/449155182.db2.gz SVBDOXMFLCHNNB-AWEZNQCLSA-N 2 2 343.387 1.947 20 5 EDBDLP CC1([NH+]2CCCC2)CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000602949282 449951639 /nfs/dbraw/zinc/95/16/39/449951639.db2.gz GSEQKEJERIYQFE-UHFFFAOYSA-N 2 2 334.420 1.707 20 5 EDBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000516175104 486172893 /nfs/dbraw/zinc/17/28/93/486172893.db2.gz DOXNBKBBZZPUIK-ZDUSSCGKSA-N 2 2 344.375 1.251 20 5 EDBDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000749695267 579735783 /nfs/dbraw/zinc/73/57/83/579735783.db2.gz ZFUWZLXQJOWFJB-SJORKVTESA-N 2 2 337.420 1.575 20 5 EDBDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000749695267 579735785 /nfs/dbraw/zinc/73/57/85/579735785.db2.gz ZFUWZLXQJOWFJB-SJORKVTESA-N 2 2 337.420 1.575 20 5 EDBDLP C[N@H+](CCOCC[NH3+])CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000863555340 596617080 /nfs/dbraw/zinc/61/70/80/596617080.db2.gz QPPDXVNWTQMILM-UHFFFAOYSA-N 2 2 330.772 1.094 20 5 EDBDLP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000863555340 596617081 /nfs/dbraw/zinc/61/70/81/596617081.db2.gz QPPDXVNWTQMILM-UHFFFAOYSA-N 2 2 330.772 1.094 20 5 EDBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563443099 306333422 /nfs/dbraw/zinc/33/34/22/306333422.db2.gz VZKHSQRQOXYCET-HUUCEWRRSA-N 2 2 348.403 1.126 20 5 EDBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563443099 306333423 /nfs/dbraw/zinc/33/34/23/306333423.db2.gz VZKHSQRQOXYCET-HUUCEWRRSA-N 2 2 348.403 1.126 20 5 EDBDLP C[NH2+]CC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000237086604 139040198 /nfs/dbraw/zinc/04/01/98/139040198.db2.gz QWPGTQTXOVVHTB-UHFFFAOYSA-N 2 2 343.387 1.852 20 5 EDBDLP COc1cc[nH+]c(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000174847771 207064991 /nfs/dbraw/zinc/06/49/91/207064991.db2.gz UMTGOHNDXBBDHF-UHFFFAOYSA-N 2 2 332.364 1.017 20 5 EDBDLP C[C@H]1[NH2+]CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H]1C ZINC000262917074 139312671 /nfs/dbraw/zinc/31/26/71/139312671.db2.gz ZADFOOCZMMMCRG-NEPJUHHUSA-N 2 2 329.360 1.603 20 5 EDBDLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355751440 150386494 /nfs/dbraw/zinc/38/64/94/150386494.db2.gz WDOMYCJNIQSBQP-CYBMUJFWSA-N 2 2 325.413 1.261 20 5 EDBDLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355751440 150386496 /nfs/dbraw/zinc/38/64/96/150386496.db2.gz WDOMYCJNIQSBQP-CYBMUJFWSA-N 2 2 325.413 1.261 20 5 EDBDLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000358128754 151281806 /nfs/dbraw/zinc/28/18/06/151281806.db2.gz COXIZBOBWIXQCI-MRXNPFEDSA-N 2 2 348.428 1.875 20 5 EDBDLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000358128754 151281810 /nfs/dbraw/zinc/28/18/10/151281810.db2.gz COXIZBOBWIXQCI-MRXNPFEDSA-N 2 2 348.428 1.875 20 5 EDBDLP Cn1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000358164745 151292179 /nfs/dbraw/zinc/29/21/79/151292179.db2.gz KBPYELMGJFYRBV-QGZVFWFLSA-N 2 2 345.403 1.152 20 5 EDBDLP Cn1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000358164745 151292181 /nfs/dbraw/zinc/29/21/81/151292181.db2.gz KBPYELMGJFYRBV-QGZVFWFLSA-N 2 2 345.403 1.152 20 5 EDBDLP COc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000352510982 162222225 /nfs/dbraw/zinc/22/22/25/162222225.db2.gz PTKWQNPDIZLZSM-LBPRGKRZSA-N 2 2 336.392 1.745 20 5 EDBDLP COc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000352510982 162222226 /nfs/dbraw/zinc/22/22/26/162222226.db2.gz PTKWQNPDIZLZSM-LBPRGKRZSA-N 2 2 336.392 1.745 20 5 EDBDLP C[NH+](C)C1CC[NH+](CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000255513713 287842170 /nfs/dbraw/zinc/84/21/70/287842170.db2.gz OBQQAOOJSMAVCQ-YVMONPNESA-N 2 2 346.431 1.750 20 5 EDBDLP C[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000447815583 305286168 /nfs/dbraw/zinc/28/61/68/305286168.db2.gz GNGSWSRIRVVXNS-KBXCAEBGSA-N 2 2 348.447 1.813 20 5 EDBDLP CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000449694186 305317144 /nfs/dbraw/zinc/31/71/44/305317144.db2.gz GIYHXCFYGZYSMO-OAHLLOKOSA-N 2 2 343.387 1.898 20 5 EDBDLP COC(=O)COc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000425992084 447374176 /nfs/dbraw/zinc/37/41/76/447374176.db2.gz AKIHETQIJHJHDW-OKILXGFUSA-N 2 2 349.387 1.140 20 5 EDBDLP COC(=O)COc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000425992084 447374178 /nfs/dbraw/zinc/37/41/78/447374178.db2.gz AKIHETQIJHJHDW-OKILXGFUSA-N 2 2 349.387 1.140 20 5 EDBDLP COC(=O)COc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000425992084 447374184 /nfs/dbraw/zinc/37/41/84/447374184.db2.gz AKIHETQIJHJHDW-OKILXGFUSA-N 2 2 349.387 1.140 20 5 EDBDLP COC(=O)COc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000425992084 447374189 /nfs/dbraw/zinc/37/41/89/447374189.db2.gz AKIHETQIJHJHDW-OKILXGFUSA-N 2 2 349.387 1.140 20 5 EDBDLP C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1n1cc[nH+]c1 ZINC000245737582 443247206 /nfs/dbraw/zinc/24/72/06/443247206.db2.gz WUDODYDOEHJYLK-UKRRQHHQSA-N 2 2 331.376 1.536 20 5 EDBDLP C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1n1cc[nH+]c1 ZINC000245737582 443247215 /nfs/dbraw/zinc/24/72/15/443247215.db2.gz WUDODYDOEHJYLK-UKRRQHHQSA-N 2 2 331.376 1.536 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342099472 445171236 /nfs/dbraw/zinc/17/12/36/445171236.db2.gz JSPXBBGAMDGYJW-IACUBPJLSA-N 2 2 348.403 1.601 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342099472 445171241 /nfs/dbraw/zinc/17/12/41/445171241.db2.gz JSPXBBGAMDGYJW-IACUBPJLSA-N 2 2 348.403 1.601 20 5 EDBDLP C[C@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000361931071 446080688 /nfs/dbraw/zinc/08/06/88/446080688.db2.gz XUZHVSHMSMMSTB-MAUKXSAKSA-N 2 2 348.447 1.432 20 5 EDBDLP C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000361931071 446080693 /nfs/dbraw/zinc/08/06/93/446080693.db2.gz XUZHVSHMSMMSTB-MAUKXSAKSA-N 2 2 348.447 1.432 20 5 EDBDLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000361931071 446080700 /nfs/dbraw/zinc/08/07/00/446080700.db2.gz XUZHVSHMSMMSTB-MAUKXSAKSA-N 2 2 348.447 1.432 20 5 EDBDLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000361931071 446080705 /nfs/dbraw/zinc/08/07/05/446080705.db2.gz XUZHVSHMSMMSTB-MAUKXSAKSA-N 2 2 348.447 1.432 20 5 EDBDLP [NH3+]CC1CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000420277785 446446353 /nfs/dbraw/zinc/44/63/53/446446353.db2.gz UOAKAQRPWFKAPF-UHFFFAOYSA-N 2 2 327.406 1.039 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430558044 447778680 /nfs/dbraw/zinc/77/86/80/447778680.db2.gz PJXDZHICPYUXAL-CYBMUJFWSA-N 2 2 338.408 1.847 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430558044 447778685 /nfs/dbraw/zinc/77/86/85/447778685.db2.gz PJXDZHICPYUXAL-CYBMUJFWSA-N 2 2 338.408 1.847 20 5 EDBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000599062705 449713765 /nfs/dbraw/zinc/71/37/65/449713765.db2.gz QMXDYZPZJHNFJK-PBHICJAKSA-N 2 2 348.447 1.845 20 5 EDBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000599062705 449713770 /nfs/dbraw/zinc/71/37/70/449713770.db2.gz QMXDYZPZJHNFJK-PBHICJAKSA-N 2 2 348.447 1.845 20 5 EDBDLP O=C(NCCn1cc[nH+]c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000043946421 491002739 /nfs/dbraw/zinc/00/27/39/491002739.db2.gz LJHGDXWRHSLVLG-UHFFFAOYSA-N 2 2 326.316 1.407 20 5 EDBDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000754250432 579899368 /nfs/dbraw/zinc/89/93/68/579899368.db2.gz HPLUTTVNVIWLKO-IRXDYDNUSA-N 2 2 337.420 1.575 20 5 EDBDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000754250432 579899369 /nfs/dbraw/zinc/89/93/69/579899369.db2.gz HPLUTTVNVIWLKO-IRXDYDNUSA-N 2 2 337.420 1.575 20 5 EDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000900426184 592014998 /nfs/dbraw/zinc/01/49/98/592014998.db2.gz OTQMEYKPCSQIRR-RRFJBIMHSA-N 2 2 332.404 1.732 20 5 EDBDLP C[C@]([NH3+])(C(=O)N1CC[NH+](C2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000870862714 596381136 /nfs/dbraw/zinc/38/11/36/596381136.db2.gz VCSUXHCMVJTWIZ-GOSISDBHSA-N 2 2 346.431 1.856 20 5 EDBDLP Cc1c(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000873052419 597172513 /nfs/dbraw/zinc/17/25/13/597172513.db2.gz PGPCGDIXERESNM-KRWDZBQOSA-N 2 2 348.447 1.399 20 5 EDBDLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000104069610 138299516 /nfs/dbraw/zinc/29/95/16/138299516.db2.gz QMEHXEOJSMICRO-INIZCTEOSA-N 2 2 332.404 1.509 20 5 EDBDLP C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424028730 252119007 /nfs/dbraw/zinc/11/90/07/252119007.db2.gz YYNNKCQKXIAQTC-GXTWGEPZSA-N 2 2 343.387 1.837 20 5 EDBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC([NH2+]C3CCCC3)CC2)c1 ZINC000377886806 158020980 /nfs/dbraw/zinc/02/09/80/158020980.db2.gz GREWSUKFQVSAOL-MRXNPFEDSA-N 2 2 337.424 1.149 20 5 EDBDLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000177112780 442298468 /nfs/dbraw/zinc/29/84/68/442298468.db2.gz NYGARZUNLKCBLL-UHFFFAOYSA-N 2 2 334.420 1.280 20 5 EDBDLP C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000172029089 442401463 /nfs/dbraw/zinc/40/14/63/442401463.db2.gz IBUCNNWRAHAELS-ZDUSSCGKSA-N 2 2 343.387 1.804 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000342760634 444853020 /nfs/dbraw/zinc/85/30/20/444853020.db2.gz ZRKAPAYXQDTDRS-UONOGXRCSA-N 2 2 346.387 1.937 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000342760634 444853023 /nfs/dbraw/zinc/85/30/23/444853023.db2.gz ZRKAPAYXQDTDRS-UONOGXRCSA-N 2 2 346.387 1.937 20 5 EDBDLP Cc1c(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000343645945 445279908 /nfs/dbraw/zinc/27/99/08/445279908.db2.gz QQWKAPLBDOBLJL-UHFFFAOYSA-N 2 2 346.431 1.643 20 5 EDBDLP Cc1cc(N2CCCO[C@@H](C[NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420270880 446441750 /nfs/dbraw/zinc/44/17/50/446441750.db2.gz JXFITJHXSZODPC-HNNXBMFYSA-N 2 2 343.387 1.914 20 5 EDBDLP COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000420287154 446452961 /nfs/dbraw/zinc/45/29/61/446452961.db2.gz GALWNHBFQBTHQM-LBPRGKRZSA-N 2 2 336.392 1.745 20 5 EDBDLP COc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000420287154 446452967 /nfs/dbraw/zinc/45/29/67/446452967.db2.gz GALWNHBFQBTHQM-LBPRGKRZSA-N 2 2 336.392 1.745 20 5 EDBDLP NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420410578 446582931 /nfs/dbraw/zinc/58/29/31/446582931.db2.gz XZCHRWRIOARINP-DZGCQCFKSA-N 2 2 332.404 1.658 20 5 EDBDLP NC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420410578 446582932 /nfs/dbraw/zinc/58/29/32/446582932.db2.gz XZCHRWRIOARINP-DZGCQCFKSA-N 2 2 332.404 1.658 20 5 EDBDLP C[C@@H]1C[C@H](C[NH3+])CN1c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000420223209 447677833 /nfs/dbraw/zinc/67/78/33/447677833.db2.gz ZPKPIVSHZBPBPN-UKRRQHHQSA-N 2 2 334.420 1.601 20 5 EDBDLP COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591275609 448304285 /nfs/dbraw/zinc/30/42/85/448304285.db2.gz JMKASKJYODOPCF-ZDUSSCGKSA-N 2 2 337.376 1.378 20 5 EDBDLP C[N@@H+]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000591352729 448336525 /nfs/dbraw/zinc/33/65/25/448336525.db2.gz AANHUZLJEMJGKM-INIZCTEOSA-N 2 2 349.435 1.202 20 5 EDBDLP C[N@H+]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000591352729 448336529 /nfs/dbraw/zinc/33/65/29/448336529.db2.gz AANHUZLJEMJGKM-INIZCTEOSA-N 2 2 349.435 1.202 20 5 EDBDLP CCO[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C[NH3+] ZINC000593737315 449172565 /nfs/dbraw/zinc/17/25/65/449172565.db2.gz VENMJTXPFCZDEA-TZMCWYRMSA-N 2 2 347.375 1.440 20 5 EDBDLP CCO[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C[NH3+] ZINC000593737315 449172570 /nfs/dbraw/zinc/17/25/70/449172570.db2.gz VENMJTXPFCZDEA-TZMCWYRMSA-N 2 2 347.375 1.440 20 5 EDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000600680964 449487900 /nfs/dbraw/zinc/48/79/00/449487900.db2.gz WDRIERHZHKXDIV-HNNXBMFYSA-N 2 2 346.391 1.409 20 5 EDBDLP [NH3+][C@]12CCC[C@H]1CN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)C2 ZINC000598667841 449529756 /nfs/dbraw/zinc/52/97/56/449529756.db2.gz MZOXDEDNOHZGRD-GUYCJALGSA-N 2 2 341.371 1.734 20 5 EDBDLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962808 449964469 /nfs/dbraw/zinc/96/44/69/449964469.db2.gz PCWCMIWQJTVBIM-HOTGVXAUSA-N 2 2 325.409 1.093 20 5 EDBDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962808 449964471 /nfs/dbraw/zinc/96/44/71/449964471.db2.gz PCWCMIWQJTVBIM-HOTGVXAUSA-N 2 2 325.409 1.093 20 5 EDBDLP CC(C)[NH+]1CCN(C2CC[NH+](Cn3nccc3[N+](=O)[O-])CC2)CC1 ZINC000760284870 580027069 /nfs/dbraw/zinc/02/70/69/580027069.db2.gz HFQAJVIOTBTKIZ-UHFFFAOYSA-N 2 2 336.440 1.239 20 5 EDBDLP C[NH+]1CC[C@@H]1CNc1nc(NC[C@H]2CC[N@H+]2C)sc1[N+](=O)[O-] ZINC000895771683 591270514 /nfs/dbraw/zinc/27/05/14/591270514.db2.gz OTKZGMOHKRCPPK-NXEZZACHSA-N 2 2 326.426 1.283 20 5 EDBDLP C[NH+]1CC[C@@H]1CNc1nc(NC[C@H]2CC[N@@H+]2C)sc1[N+](=O)[O-] ZINC000895771683 591270516 /nfs/dbraw/zinc/27/05/16/591270516.db2.gz OTKZGMOHKRCPPK-NXEZZACHSA-N 2 2 326.426 1.283 20 5 EDBDLP C[NH+]1CC[C@@H]1CNc1nc(NC[C@H]2CC[N@@H+]2C)c([N+](=O)[O-])s1 ZINC000895771683 591270518 /nfs/dbraw/zinc/27/05/18/591270518.db2.gz OTKZGMOHKRCPPK-NXEZZACHSA-N 2 2 326.426 1.283 20 5 EDBDLP C[NH+]1CC[C@@H]1CNc1nc(NC[C@H]2CC[N@H+]2C)c([N+](=O)[O-])s1 ZINC000895771683 591270520 /nfs/dbraw/zinc/27/05/20/591270520.db2.gz OTKZGMOHKRCPPK-NXEZZACHSA-N 2 2 326.426 1.283 20 5 EDBDLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)C2 ZINC000903844950 592343921 /nfs/dbraw/zinc/34/39/21/592343921.db2.gz CRLAXTNGOZGDNP-WHOFXGATSA-N 2 2 330.388 1.296 20 5 EDBDLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)C2 ZINC000903844950 592343927 /nfs/dbraw/zinc/34/39/27/592343927.db2.gz CRLAXTNGOZGDNP-WHOFXGATSA-N 2 2 330.388 1.296 20 5 EDBDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862465253 596333990 /nfs/dbraw/zinc/33/39/90/596333990.db2.gz PDILWMLTXZAXSY-AWEZNQCLSA-N 2 2 340.811 1.678 20 5 EDBDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862465253 596333993 /nfs/dbraw/zinc/33/39/93/596333993.db2.gz PDILWMLTXZAXSY-AWEZNQCLSA-N 2 2 340.811 1.678 20 5 EDBDLP C[NH+](C)C1CC[NH+](CCNc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865585824 596618355 /nfs/dbraw/zinc/61/83/55/596618355.db2.gz PKVWZDVEBZXTII-UHFFFAOYSA-N 2 2 340.399 1.664 20 5 EDBDLP O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883371994 597726313 /nfs/dbraw/zinc/72/63/13/597726313.db2.gz HZOWYNVDUGDQAN-KRWDZBQOSA-N 2 2 348.447 1.481 20 5 EDBDLP COC(=O)COc1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000414788145 304140791 /nfs/dbraw/zinc/14/07/91/304140791.db2.gz CXVCAWGIRQINRG-GFCCVEGCSA-N 2 2 325.365 1.220 20 5 EDBDLP O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129690581 205208445 /nfs/dbraw/zinc/20/84/45/205208445.db2.gz ZMRSPYHSAQHJLP-OAHLLOKOSA-N 2 2 335.404 1.628 20 5 EDBDLP O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129690581 205208447 /nfs/dbraw/zinc/20/84/47/205208447.db2.gz ZMRSPYHSAQHJLP-OAHLLOKOSA-N 2 2 335.404 1.628 20 5 EDBDLP C[NH+](C)C1CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000127994922 287449231 /nfs/dbraw/zinc/44/92/31/287449231.db2.gz BHGPIAXUCKSUCC-UHFFFAOYSA-N 2 2 348.403 1.919 20 5 EDBDLP C[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000420181679 300296038 /nfs/dbraw/zinc/29/60/38/300296038.db2.gz FLUFVJRMMOLVBG-ZFWWWQNUSA-N 2 2 334.420 1.601 20 5 EDBDLP CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000423944260 304920242 /nfs/dbraw/zinc/92/02/42/304920242.db2.gz HJQHYXMZUMYRQN-OAHLLOKOSA-N 2 2 329.360 1.590 20 5 EDBDLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430644958 305060873 /nfs/dbraw/zinc/06/08/73/305060873.db2.gz AOWRYNAAPVJPEF-BBRMVZONSA-N 2 2 332.404 1.632 20 5 EDBDLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430644958 305060874 /nfs/dbraw/zinc/06/08/74/305060874.db2.gz AOWRYNAAPVJPEF-BBRMVZONSA-N 2 2 332.404 1.632 20 5 EDBDLP CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000449694185 305317188 /nfs/dbraw/zinc/31/71/88/305317188.db2.gz GIYHXCFYGZYSMO-HNNXBMFYSA-N 2 2 343.387 1.898 20 5 EDBDLP COc1cc(C[NH2+]C[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414906025 447352382 /nfs/dbraw/zinc/35/23/82/447352382.db2.gz LSFDYGKVLJCJGR-JTQLQIEISA-N 2 2 345.346 1.946 20 5 EDBDLP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000179213652 442597508 /nfs/dbraw/zinc/59/75/08/442597508.db2.gz GUBNADLTFFSFKP-TZMCWYRMSA-N 2 2 343.387 1.980 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000182243771 442749031 /nfs/dbraw/zinc/74/90/31/442749031.db2.gz QZPONVCLTXDMHB-INIZCTEOSA-N 2 2 349.431 1.895 20 5 EDBDLP Cc1cc(NCCC[N@@H+]2CCNC(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000278675140 443398545 /nfs/dbraw/zinc/39/85/45/443398545.db2.gz GJAKUUHNLVCPQZ-UHFFFAOYSA-N 2 2 343.387 1.685 20 5 EDBDLP Cc1cc(NCCC[N@H+]2CCNC(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000278675140 443398548 /nfs/dbraw/zinc/39/85/48/443398548.db2.gz GJAKUUHNLVCPQZ-UHFFFAOYSA-N 2 2 343.387 1.685 20 5 EDBDLP C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448974967 320168123 /nfs/dbraw/zinc/16/81/23/320168123.db2.gz FCPWEGFHAFLAGX-ZDUSSCGKSA-N 2 2 329.360 1.605 20 5 EDBDLP C[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448974967 320168125 /nfs/dbraw/zinc/16/81/25/320168125.db2.gz FCPWEGFHAFLAGX-ZDUSSCGKSA-N 2 2 329.360 1.605 20 5 EDBDLP Cn1ccnc1[C@@H]([NH2+]CCOCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000353672346 445701714 /nfs/dbraw/zinc/70/17/14/445701714.db2.gz QIRJKAPKEYQSDF-INIZCTEOSA-N 2 2 347.419 1.586 20 5 EDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@H]12 ZINC000351476537 446077708 /nfs/dbraw/zinc/07/77/08/446077708.db2.gz LAHOEYFIZSAGOT-VHDGCEQUSA-N 2 2 330.388 1.153 20 5 EDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@H]12 ZINC000351476537 446077714 /nfs/dbraw/zinc/07/77/14/446077714.db2.gz LAHOEYFIZSAGOT-VHDGCEQUSA-N 2 2 330.388 1.153 20 5 EDBDLP O=C1[C@@H]([N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420360606 446540858 /nfs/dbraw/zinc/54/08/58/446540858.db2.gz GJZKOMOPWFYKNE-WMZOPIPTSA-N 2 2 344.415 1.776 20 5 EDBDLP O=C1[C@@H]([N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420360606 446540868 /nfs/dbraw/zinc/54/08/68/446540868.db2.gz GJZKOMOPWFYKNE-WMZOPIPTSA-N 2 2 344.415 1.776 20 5 EDBDLP Cc1c(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000569232393 448984983 /nfs/dbraw/zinc/98/49/83/448984983.db2.gz WGNQWYWPEZXQDP-IOASZLSFSA-N 2 2 337.420 1.463 20 5 EDBDLP Cn1cc[nH+]c1[C@H](NCC12CC(C1)C[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000596654399 449588630 /nfs/dbraw/zinc/58/86/30/449588630.db2.gz NXHPBOURLSOHQK-YAJUMTOWSA-N 2 2 327.388 1.759 20 5 EDBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000271074674 535412846 /nfs/dbraw/zinc/41/28/46/535412846.db2.gz GEMFNGAQOPOBSQ-HIFRSBDPSA-N 2 2 336.436 1.890 20 5 EDBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000271074674 535412849 /nfs/dbraw/zinc/41/28/49/535412849.db2.gz GEMFNGAQOPOBSQ-HIFRSBDPSA-N 2 2 336.436 1.890 20 5 EDBDLP C[N@H+](CCCO)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776584313 580422369 /nfs/dbraw/zinc/42/23/69/580422369.db2.gz LCDKLFPYMPURIM-KRWDZBQOSA-N 2 2 337.420 1.407 20 5 EDBDLP C[N@@H+](CCCO)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776584313 580422370 /nfs/dbraw/zinc/42/23/70/580422370.db2.gz LCDKLFPYMPURIM-KRWDZBQOSA-N 2 2 337.420 1.407 20 5 EDBDLP COc1c(O)ccc(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000893031334 591260022 /nfs/dbraw/zinc/26/00/22/591260022.db2.gz VZRWLNNVQDFZEN-GFCCVEGCSA-N 2 2 339.392 1.367 20 5 EDBDLP CC1(C)CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000905722340 592629432 /nfs/dbraw/zinc/62/94/32/592629432.db2.gz GXZVGVMROLEYSF-INIZCTEOSA-N 2 2 334.420 1.601 20 5 EDBDLP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000852760629 595531679 /nfs/dbraw/zinc/53/16/79/595531679.db2.gz JVEMOQUFGIEJOT-IAGOWNOFSA-N 2 2 337.420 1.671 20 5 EDBDLP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000852760629 595531682 /nfs/dbraw/zinc/53/16/82/595531682.db2.gz JVEMOQUFGIEJOT-IAGOWNOFSA-N 2 2 337.420 1.671 20 5 EDBDLP CC(C)[C@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000870982913 596429353 /nfs/dbraw/zinc/42/93/53/596429353.db2.gz OHUKVABLMRTDHV-WBVHZDCISA-N 2 2 334.420 1.567 20 5 EDBDLP CC(C)[C@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000870982913 596429356 /nfs/dbraw/zinc/42/93/56/596429356.db2.gz OHUKVABLMRTDHV-WBVHZDCISA-N 2 2 334.420 1.567 20 5 EDBDLP COC(=O)COc1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000415051588 304154793 /nfs/dbraw/zinc/15/47/93/304154793.db2.gz GGVFVQYHSWCMOZ-CQSZACIVSA-N 2 2 339.392 1.610 20 5 EDBDLP CC[NH+](CC)CC(=O)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000103492342 204082597 /nfs/dbraw/zinc/08/25/97/204082597.db2.gz APEDPHXHMKPSEV-UHFFFAOYSA-N 2 2 348.447 1.623 20 5 EDBDLP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000108368332 204259899 /nfs/dbraw/zinc/25/98/99/204259899.db2.gz BZWJIYJYVTTXAO-MRXNPFEDSA-N 2 2 337.420 1.797 20 5 EDBDLP C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000332403330 141176298 /nfs/dbraw/zinc/17/62/98/141176298.db2.gz VLWBSEWFFXEBHL-WMLDXEAASA-N 2 2 348.447 1.758 20 5 EDBDLP C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000332403330 141176299 /nfs/dbraw/zinc/17/62/99/141176299.db2.gz VLWBSEWFFXEBHL-WMLDXEAASA-N 2 2 348.447 1.758 20 5 EDBDLP C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000420181678 288257006 /nfs/dbraw/zinc/25/70/06/288257006.db2.gz FLUFVJRMMOLVBG-UKRRQHHQSA-N 2 2 334.420 1.601 20 5 EDBDLP CCc1cc(NC[C@@H]2C[NH2+]CCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420272502 304741432 /nfs/dbraw/zinc/74/14/32/304741432.db2.gz CMWAGLNUNVNEKK-HNNXBMFYSA-N 2 2 343.387 1.436 20 5 EDBDLP Cn1c[nH+]cc1CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000298025738 303489017 /nfs/dbraw/zinc/48/90/17/303489017.db2.gz FFGWHVJEKWTXGF-UHFFFAOYSA-N 2 2 343.387 1.329 20 5 EDBDLP O=[N+]([O-])c1ccc(N2CC[NH+](CCC[NH+]3CCCCC3)CC2)cn1 ZINC000548066015 306119192 /nfs/dbraw/zinc/11/91/92/306119192.db2.gz YAXYHYKTGXHYGF-UHFFFAOYSA-N 2 2 333.436 1.988 20 5 EDBDLP C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000272257436 443570523 /nfs/dbraw/zinc/57/05/23/443570523.db2.gz MJVRYCQXJDYIEG-AAEUAGOBSA-N 2 2 329.360 1.590 20 5 EDBDLP COC(=O)COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000357125805 445441234 /nfs/dbraw/zinc/44/12/34/445441234.db2.gz WNKSYJICJPEHJH-UONOGXRCSA-N 2 2 349.387 1.188 20 5 EDBDLP COC(=O)COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000357125805 445441239 /nfs/dbraw/zinc/44/12/39/445441239.db2.gz WNKSYJICJPEHJH-UONOGXRCSA-N 2 2 349.387 1.188 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369272135 446039006 /nfs/dbraw/zinc/03/90/06/446039006.db2.gz ADGSFWDYDIKYDY-CQSZACIVSA-N 2 2 346.431 1.802 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369272135 446039012 /nfs/dbraw/zinc/03/90/12/446039012.db2.gz ADGSFWDYDIKYDY-CQSZACIVSA-N 2 2 346.431 1.802 20 5 EDBDLP CC[NH+]1CCC([N@@H+]2CCCN(c3ncc([N+](=O)[O-])cn3)CC2)CC1 ZINC000420628999 446710461 /nfs/dbraw/zinc/71/04/61/446710461.db2.gz QGSCMENGRSLNMZ-UHFFFAOYSA-N 2 2 334.424 1.381 20 5 EDBDLP CC[NH+]1CCC([N@H+]2CCCN(c3ncc([N+](=O)[O-])cn3)CC2)CC1 ZINC000420628999 446710470 /nfs/dbraw/zinc/71/04/70/446710470.db2.gz QGSCMENGRSLNMZ-UHFFFAOYSA-N 2 2 334.424 1.381 20 5 EDBDLP CC[NH+]1CCC([N@@H+]2CCCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000420634031 446712728 /nfs/dbraw/zinc/71/27/28/446712728.db2.gz ZAORYJKLNUCMRA-UHFFFAOYSA-N 2 2 333.436 1.986 20 5 EDBDLP CC[NH+]1CCC([N@H+]2CCCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000420634031 446712733 /nfs/dbraw/zinc/71/27/33/446712733.db2.gz ZAORYJKLNUCMRA-UHFFFAOYSA-N 2 2 333.436 1.986 20 5 EDBDLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000591749482 448480412 /nfs/dbraw/zinc/48/04/12/448480412.db2.gz ZNLHRAYWGSPWGA-IOASZLSFSA-N 2 2 335.404 1.549 20 5 EDBDLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000591749482 448480414 /nfs/dbraw/zinc/48/04/14/448480414.db2.gz ZNLHRAYWGSPWGA-IOASZLSFSA-N 2 2 335.404 1.549 20 5 EDBDLP C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000520503709 448903356 /nfs/dbraw/zinc/90/33/56/448903356.db2.gz ZUKKZRICCHWMTA-CYBMUJFWSA-N 2 2 343.387 1.852 20 5 EDBDLP C[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000520503709 448903360 /nfs/dbraw/zinc/90/33/60/448903360.db2.gz ZUKKZRICCHWMTA-CYBMUJFWSA-N 2 2 343.387 1.852 20 5 EDBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593655279 449132779 /nfs/dbraw/zinc/13/27/79/449132779.db2.gz BNPVEKUCVLUZTP-RVDMUPIBSA-N 2 2 346.431 1.704 20 5 EDBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593655279 449132785 /nfs/dbraw/zinc/13/27/85/449132785.db2.gz BNPVEKUCVLUZTP-RVDMUPIBSA-N 2 2 346.431 1.704 20 5 EDBDLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000593737076 449171783 /nfs/dbraw/zinc/17/17/83/449171783.db2.gz LGTXXIIKNIQWGQ-YWPYICTPSA-N 2 2 336.392 1.217 20 5 EDBDLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000593737076 449171788 /nfs/dbraw/zinc/17/17/88/449171788.db2.gz LGTXXIIKNIQWGQ-YWPYICTPSA-N 2 2 336.392 1.217 20 5 EDBDLP COc1cc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])cc1F ZINC000593980120 449310986 /nfs/dbraw/zinc/31/09/86/449310986.db2.gz XZFQRTDKFQCUEZ-UHFFFAOYSA-N 2 2 335.339 1.788 20 5 EDBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000600745760 449531020 /nfs/dbraw/zinc/53/10/20/449531020.db2.gz PTRQLMPATNQWRQ-NXHRZFHOSA-N 2 2 344.415 1.632 20 5 EDBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000600745760 449531023 /nfs/dbraw/zinc/53/10/23/449531023.db2.gz PTRQLMPATNQWRQ-NXHRZFHOSA-N 2 2 344.415 1.632 20 5 EDBDLP CC(C)c1ccc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1[N+](=O)[O-] ZINC000600773449 449542064 /nfs/dbraw/zinc/54/20/64/449542064.db2.gz ICWVSXLWSXNJBW-UHFFFAOYSA-N 2 2 331.376 1.962 20 5 EDBDLP Cc1c([C@@H](C)[NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)cccc1[N+](=O)[O-] ZINC000600712711 449510347 /nfs/dbraw/zinc/51/03/47/449510347.db2.gz ZWMDUEYWBKBXBI-OCCSQVGLSA-N 2 2 330.392 1.880 20 5 EDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000595492078 450182532 /nfs/dbraw/zinc/18/25/32/450182532.db2.gz UFNDCAHQPJQXSZ-UHFFFAOYSA-N 2 2 329.360 1.944 20 5 EDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000595492078 450182536 /nfs/dbraw/zinc/18/25/36/450182536.db2.gz UFNDCAHQPJQXSZ-UHFFFAOYSA-N 2 2 329.360 1.944 20 5 EDBDLP O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000591686219 491015419 /nfs/dbraw/zinc/01/54/19/491015419.db2.gz URARBSNZRRTRKZ-HNNXBMFYSA-N 2 2 341.371 1.652 20 5 EDBDLP Cc1nc(N2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)cc[nH+]1 ZINC000183768507 534755854 /nfs/dbraw/zinc/75/58/54/534755854.db2.gz SJWNRXRTIBJEGD-UHFFFAOYSA-N 2 2 343.387 1.894 20 5 EDBDLP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000776591110 580422952 /nfs/dbraw/zinc/42/29/52/580422952.db2.gz ATNROOZTTGRTNE-ZWKOTPCHSA-N 2 2 348.447 1.340 20 5 EDBDLP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000776591110 580422953 /nfs/dbraw/zinc/42/29/53/580422953.db2.gz ATNROOZTTGRTNE-ZWKOTPCHSA-N 2 2 348.447 1.340 20 5 EDBDLP Cn1c[nH+]c([C@@H]2CN(C/C=C\c3ccccc3[N+](=O)[O-])C[C@H]2[NH3+])c1 ZINC000904494885 592266752 /nfs/dbraw/zinc/26/67/52/592266752.db2.gz LDOGWKOWPFTNBQ-FAKDPMAQSA-N 2 2 327.388 1.768 20 5 EDBDLP CC1([NH+]2CCOCC2)CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000859775937 596194462 /nfs/dbraw/zinc/19/44/62/596194462.db2.gz MERDBHWDDDYUOV-QGZVFWFLSA-N 2 2 349.431 1.815 20 5 EDBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293508034 302976640 /nfs/dbraw/zinc/97/66/40/302976640.db2.gz SVZUACYMORCSDC-KBPBESRZSA-N 2 2 341.371 1.605 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000430616600 305059170 /nfs/dbraw/zinc/05/91/70/305059170.db2.gz GICWEONIUDVKFM-CYBMUJFWSA-N 2 2 336.392 1.745 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000430616600 305059171 /nfs/dbraw/zinc/05/91/71/305059171.db2.gz GICWEONIUDVKFM-CYBMUJFWSA-N 2 2 336.392 1.745 20 5 EDBDLP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000046599092 441115358 /nfs/dbraw/zinc/11/53/58/441115358.db2.gz FUTJAHFWOPJZCO-UHFFFAOYSA-N 2 2 334.420 1.627 20 5 EDBDLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000046599092 441115362 /nfs/dbraw/zinc/11/53/62/441115362.db2.gz FUTJAHFWOPJZCO-UHFFFAOYSA-N 2 2 334.420 1.627 20 5 EDBDLP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000057711920 441130382 /nfs/dbraw/zinc/13/03/82/441130382.db2.gz PEBWUJHWSXZBPF-GFCCVEGCSA-N 2 2 343.387 1.993 20 5 EDBDLP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000057711920 441130386 /nfs/dbraw/zinc/13/03/86/441130386.db2.gz PEBWUJHWSXZBPF-GFCCVEGCSA-N 2 2 343.387 1.993 20 5 EDBDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180415372 442598716 /nfs/dbraw/zinc/59/87/16/442598716.db2.gz SUQHUGOBJHIKDT-KBPBESRZSA-N 2 2 334.420 1.798 20 5 EDBDLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423035105 319748317 /nfs/dbraw/zinc/74/83/17/319748317.db2.gz IVTJWAIKTXIYAC-GJZGRUSLSA-N 2 2 341.433 1.618 20 5 EDBDLP COCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448876261 320164162 /nfs/dbraw/zinc/16/41/62/320164162.db2.gz XFQGPIXACLZOQA-UHFFFAOYSA-N 2 2 347.375 1.089 20 5 EDBDLP COCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448876261 320164165 /nfs/dbraw/zinc/16/41/65/320164165.db2.gz XFQGPIXACLZOQA-UHFFFAOYSA-N 2 2 347.375 1.089 20 5 EDBDLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000580552871 322065985 /nfs/dbraw/zinc/06/59/85/322065985.db2.gz DQNCLYQBQPBKNK-IPYPFGDCSA-N 2 2 335.404 1.549 20 5 EDBDLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000580552871 322065987 /nfs/dbraw/zinc/06/59/87/322065987.db2.gz DQNCLYQBQPBKNK-IPYPFGDCSA-N 2 2 335.404 1.549 20 5 EDBDLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000580552872 322066137 /nfs/dbraw/zinc/06/61/37/322066137.db2.gz DQNCLYQBQPBKNK-NFAWXSAZSA-N 2 2 335.404 1.549 20 5 EDBDLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000580552872 322066139 /nfs/dbraw/zinc/06/61/39/322066139.db2.gz DQNCLYQBQPBKNK-NFAWXSAZSA-N 2 2 335.404 1.549 20 5 EDBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339054525 445011471 /nfs/dbraw/zinc/01/14/71/445011471.db2.gz QUGVQHKLCIDXPL-UHFFFAOYSA-N 2 2 336.436 1.758 20 5 EDBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339054525 445011474 /nfs/dbraw/zinc/01/14/74/445011474.db2.gz QUGVQHKLCIDXPL-UHFFFAOYSA-N 2 2 336.436 1.758 20 5 EDBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3N)C2)CC1 ZINC000365903356 446395450 /nfs/dbraw/zinc/39/54/50/446395450.db2.gz AOPHTKRTAYVFMN-GFCCVEGCSA-N 2 2 347.419 1.075 20 5 EDBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3N)C2)CC1 ZINC000365903356 446395455 /nfs/dbraw/zinc/39/54/55/446395455.db2.gz AOPHTKRTAYVFMN-GFCCVEGCSA-N 2 2 347.419 1.075 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420379098 446555364 /nfs/dbraw/zinc/55/53/64/446555364.db2.gz MNNSNINTAUCIKI-HNNXBMFYSA-N 2 2 346.391 1.491 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420379098 446555369 /nfs/dbraw/zinc/55/53/69/446555369.db2.gz MNNSNINTAUCIKI-HNNXBMFYSA-N 2 2 346.391 1.491 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000582482567 448250562 /nfs/dbraw/zinc/25/05/62/448250562.db2.gz JFCPFMUUHZFFAW-YPMHNXCESA-N 2 2 332.360 1.205 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000582482567 448250564 /nfs/dbraw/zinc/25/05/64/448250564.db2.gz JFCPFMUUHZFFAW-YPMHNXCESA-N 2 2 332.360 1.205 20 5 EDBDLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591742880 448478976 /nfs/dbraw/zinc/47/89/76/448478976.db2.gz OTZKBVWNTOMWDI-HOCLYGCPSA-N 2 2 337.420 1.799 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592469594 448850839 /nfs/dbraw/zinc/85/08/39/448850839.db2.gz XFPOCKSCUXUGPS-UHFFFAOYSA-N 2 2 348.403 1.758 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592469594 448850841 /nfs/dbraw/zinc/85/08/41/448850841.db2.gz XFPOCKSCUXUGPS-UHFFFAOYSA-N 2 2 348.403 1.758 20 5 EDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000597990416 449174758 /nfs/dbraw/zinc/17/47/58/449174758.db2.gz VHEVRHJYFBLPDJ-UHFFFAOYSA-N 2 2 347.419 1.689 20 5 EDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000597990416 449174763 /nfs/dbraw/zinc/17/47/63/449174763.db2.gz VHEVRHJYFBLPDJ-UHFFFAOYSA-N 2 2 347.419 1.689 20 5 EDBDLP CC(C)[NH+]1CCC([NH+]2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC000596168332 449393328 /nfs/dbraw/zinc/39/33/28/449393328.db2.gz PWZICDJGSODNTL-UHFFFAOYSA-N 2 2 349.435 1.690 20 5 EDBDLP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000598681518 449539773 /nfs/dbraw/zinc/53/97/73/449539773.db2.gz GMFHOMXKHNUDEG-YVEFUNNKSA-N 2 2 346.387 1.706 20 5 EDBDLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000598681518 449539780 /nfs/dbraw/zinc/53/97/80/449539780.db2.gz GMFHOMXKHNUDEG-YVEFUNNKSA-N 2 2 346.387 1.706 20 5 EDBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cn([C@H]3CC[NH2+]C3)nn1)CCC2 ZINC000600713186 449511994 /nfs/dbraw/zinc/51/19/94/449511994.db2.gz HIGWUYXRKDFMLN-DOTOQJQBSA-N 2 2 342.403 1.888 20 5 EDBDLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599130600 449753984 /nfs/dbraw/zinc/75/39/84/449753984.db2.gz DXXHGNNBAKGHRE-HNNXBMFYSA-N 2 2 343.387 1.895 20 5 EDBDLP NC(=O)[C@@H]1CCC[N@H+]1CCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599130600 449753988 /nfs/dbraw/zinc/75/39/88/449753988.db2.gz DXXHGNNBAKGHRE-HNNXBMFYSA-N 2 2 343.387 1.895 20 5 EDBDLP C[NH+]1CCN(C(=O)C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000610805618 450341537 /nfs/dbraw/zinc/34/15/37/450341537.db2.gz BDUNBXXSEXNNSC-MRXNPFEDSA-N 2 2 346.431 1.280 20 5 EDBDLP C[NH+](C)CC1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000738077071 593079316 /nfs/dbraw/zinc/07/93/16/593079316.db2.gz RQRIBHPHXVSSMQ-UHFFFAOYSA-N 2 2 334.376 1.734 20 5 EDBDLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000846935194 595339502 /nfs/dbraw/zinc/33/95/02/595339502.db2.gz DVASOEYBQBZUJH-INIZCTEOSA-N 2 2 337.420 1.453 20 5 EDBDLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000104067454 138299652 /nfs/dbraw/zinc/29/96/52/138299652.db2.gz OBKZROTVGQHMHZ-MRXNPFEDSA-N 2 2 332.404 1.509 20 5 EDBDLP Cn1ccnc1[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000353438767 149407216 /nfs/dbraw/zinc/40/72/16/149407216.db2.gz VLDJPKOTWPLAPF-HNNXBMFYSA-N 2 2 326.360 1.904 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352508568 162218823 /nfs/dbraw/zinc/21/88/23/162218823.db2.gz HSGYKZLTSWVUSG-LBPRGKRZSA-N 2 2 336.392 1.745 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352508568 162218825 /nfs/dbraw/zinc/21/88/25/162218825.db2.gz HSGYKZLTSWVUSG-LBPRGKRZSA-N 2 2 336.392 1.745 20 5 EDBDLP C[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000376446888 274363962 /nfs/dbraw/zinc/36/39/62/274363962.db2.gz DLPYBZKFZGIMOT-CYBMUJFWSA-N 2 2 333.436 1.782 20 5 EDBDLP C[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CC[N@H+]1C1CC[NH+](C)CC1 ZINC000376446888 274363963 /nfs/dbraw/zinc/36/39/63/274363963.db2.gz DLPYBZKFZGIMOT-CYBMUJFWSA-N 2 2 333.436 1.782 20 5 EDBDLP C[C@@]1(C[NH3+])CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420242887 289162782 /nfs/dbraw/zinc/16/27/82/289162782.db2.gz NKMKSVNSOCXTJR-KRWDZBQOSA-N 2 2 334.420 1.602 20 5 EDBDLP CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448941337 305305143 /nfs/dbraw/zinc/30/51/43/305305143.db2.gz LRKDZHKCSVBCSM-UHFFFAOYSA-N 2 2 343.387 1.948 20 5 EDBDLP CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448941337 305305144 /nfs/dbraw/zinc/30/51/44/305305144.db2.gz LRKDZHKCSVBCSM-UHFFFAOYSA-N 2 2 343.387 1.948 20 5 EDBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000534129501 306003944 /nfs/dbraw/zinc/00/39/44/306003944.db2.gz RZYVOFFSCMOCQY-OAHLLOKOSA-N 2 2 346.391 1.124 20 5 EDBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000182652210 442800929 /nfs/dbraw/zinc/80/09/29/442800929.db2.gz FPKPLOZCBAQUEI-AWEZNQCLSA-N 2 2 334.420 1.670 20 5 EDBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293508044 444037694 /nfs/dbraw/zinc/03/76/94/444037694.db2.gz SVZUACYMORCSDC-UONOGXRCSA-N 2 2 341.371 1.605 20 5 EDBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000581662615 322205378 /nfs/dbraw/zinc/20/53/78/322205378.db2.gz PIWONLQIUXTURQ-IUODEOHRSA-N 2 2 332.404 1.996 20 5 EDBDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000581662615 322205379 /nfs/dbraw/zinc/20/53/79/322205379.db2.gz PIWONLQIUXTURQ-IUODEOHRSA-N 2 2 332.404 1.996 20 5 EDBDLP NC(=O)c1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000363256392 445742116 /nfs/dbraw/zinc/74/21/16/445742116.db2.gz KDGLABMFHDQVOH-BZUAXINKSA-N 2 2 344.415 1.610 20 5 EDBDLP NC(=O)c1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000363256392 445742122 /nfs/dbraw/zinc/74/21/22/445742122.db2.gz KDGLABMFHDQVOH-BZUAXINKSA-N 2 2 344.415 1.610 20 5 EDBDLP NC(=O)c1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000363256392 445742125 /nfs/dbraw/zinc/74/21/25/445742125.db2.gz KDGLABMFHDQVOH-BZUAXINKSA-N 2 2 344.415 1.610 20 5 EDBDLP NC(=O)c1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000363256392 445742128 /nfs/dbraw/zinc/74/21/28/445742128.db2.gz KDGLABMFHDQVOH-BZUAXINKSA-N 2 2 344.415 1.610 20 5 EDBDLP COc1c[nH+]ccc1N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000361532384 445807922 /nfs/dbraw/zinc/80/79/22/445807922.db2.gz XHFSGORRSLROIB-UHFFFAOYSA-N 2 2 332.364 1.017 20 5 EDBDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000366195550 446077183 /nfs/dbraw/zinc/07/71/83/446077183.db2.gz MRKDDWSGFQQNHQ-UHFFFAOYSA-N 2 2 347.419 1.278 20 5 EDBDLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000361931072 446080813 /nfs/dbraw/zinc/08/08/13/446080813.db2.gz XUZHVSHMSMMSTB-QAPCUYQASA-N 2 2 348.447 1.432 20 5 EDBDLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000361931072 446080821 /nfs/dbraw/zinc/08/08/21/446080821.db2.gz XUZHVSHMSMMSTB-QAPCUYQASA-N 2 2 348.447 1.432 20 5 EDBDLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000361931072 446080828 /nfs/dbraw/zinc/08/08/28/446080828.db2.gz XUZHVSHMSMMSTB-QAPCUYQASA-N 2 2 348.447 1.432 20 5 EDBDLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000361931072 446080835 /nfs/dbraw/zinc/08/08/35/446080835.db2.gz XUZHVSHMSMMSTB-QAPCUYQASA-N 2 2 348.447 1.432 20 5 EDBDLP O=C1[C@H]([N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420360605 446540947 /nfs/dbraw/zinc/54/09/47/446540947.db2.gz GJZKOMOPWFYKNE-SJLPKXTDSA-N 2 2 344.415 1.776 20 5 EDBDLP O=C1[C@H]([N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420360605 446540953 /nfs/dbraw/zinc/54/09/53/446540953.db2.gz GJZKOMOPWFYKNE-SJLPKXTDSA-N 2 2 344.415 1.776 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420379099 446555639 /nfs/dbraw/zinc/55/56/39/446555639.db2.gz MNNSNINTAUCIKI-OAHLLOKOSA-N 2 2 346.391 1.491 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420379099 446555646 /nfs/dbraw/zinc/55/56/46/446555646.db2.gz MNNSNINTAUCIKI-OAHLLOKOSA-N 2 2 346.391 1.491 20 5 EDBDLP CC[NH+]1CCC([N@@H+]2CCCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000420627593 446708821 /nfs/dbraw/zinc/70/88/21/446708821.db2.gz NSAGAQMQCYKFHV-UHFFFAOYSA-N 2 2 333.436 1.986 20 5 EDBDLP CC[NH+]1CCC([N@H+]2CCCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000420627593 446708825 /nfs/dbraw/zinc/70/88/25/446708825.db2.gz NSAGAQMQCYKFHV-UHFFFAOYSA-N 2 2 333.436 1.986 20 5 EDBDLP C[C@@H]([NH3+])[C@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420188685 447661849 /nfs/dbraw/zinc/66/18/49/447661849.db2.gz OMBQBZSALJNZOQ-ZBFHGGJFSA-N 2 2 348.447 1.991 20 5 EDBDLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591742877 448479183 /nfs/dbraw/zinc/47/91/83/448479183.db2.gz OTZKBVWNTOMWDI-GDBMZVCRSA-N 2 2 337.420 1.799 20 5 EDBDLP CC[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000592487902 448857942 /nfs/dbraw/zinc/85/79/42/448857942.db2.gz BQMFLSOQXBINRR-IUODEOHRSA-N 2 2 332.404 1.543 20 5 EDBDLP CC[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000592487902 448857945 /nfs/dbraw/zinc/85/79/45/448857945.db2.gz BQMFLSOQXBINRR-IUODEOHRSA-N 2 2 332.404 1.543 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595907422 449246380 /nfs/dbraw/zinc/24/63/80/449246380.db2.gz UGTMYIDOQQDDIV-VXGBXAGGSA-N 2 2 340.355 1.303 20 5 EDBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)CC1 ZINC000611556620 449335442 /nfs/dbraw/zinc/33/54/42/449335442.db2.gz WERGDBLYKLXZOA-CYBMUJFWSA-N 2 2 348.403 1.199 20 5 EDBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)CC1 ZINC000611556620 449335443 /nfs/dbraw/zinc/33/54/43/449335443.db2.gz WERGDBLYKLXZOA-CYBMUJFWSA-N 2 2 348.403 1.199 20 5 EDBDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000598990225 449683318 /nfs/dbraw/zinc/68/33/18/449683318.db2.gz KWBDZCYQHDWWIU-QTONRWBISA-N 2 2 332.404 1.537 20 5 EDBDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000598990225 449683323 /nfs/dbraw/zinc/68/33/23/449683323.db2.gz KWBDZCYQHDWWIU-QTONRWBISA-N 2 2 332.404 1.537 20 5 EDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC000818951650 593729928 /nfs/dbraw/zinc/72/99/28/593729928.db2.gz MFYHPZKUYWPRLU-MRXNPFEDSA-N 2 2 330.388 1.993 20 5 EDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000824955336 594104613 /nfs/dbraw/zinc/10/46/13/594104613.db2.gz ALNAPNUBNFSBON-SJORKVTESA-N 2 2 348.447 1.698 20 5 EDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000824955336 594104615 /nfs/dbraw/zinc/10/46/15/594104615.db2.gz ALNAPNUBNFSBON-SJORKVTESA-N 2 2 348.447 1.698 20 5 EDBDLP C[C@@]([NH3+])(C(=O)N1CC[NH+](C2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000870862715 596381343 /nfs/dbraw/zinc/38/13/43/596381343.db2.gz VCSUXHCMVJTWIZ-SFHVURJKSA-N 2 2 346.431 1.856 20 5 EDBDLP C[C@]12C[NH2+]C[C@H]1C[N@@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000872153295 596814259 /nfs/dbraw/zinc/81/42/59/596814259.db2.gz HJSSIRVBDLNNIV-YLQAJVPDSA-N 2 2 330.388 1.241 20 5 EDBDLP C[C@]12C[NH2+]C[C@H]1C[N@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000872153295 596814260 /nfs/dbraw/zinc/81/42/60/596814260.db2.gz HJSSIRVBDLNNIV-YLQAJVPDSA-N 2 2 330.388 1.241 20 5 EDBDLP CC1(C)CC[NH2+]CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000872293335 596870444 /nfs/dbraw/zinc/87/04/44/596870444.db2.gz PWJFVFTYKJMBBT-UHFFFAOYSA-N 2 2 343.387 1.995 20 5 EDBDLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997414045 703668725 /nfs/dbraw/zinc/66/87/25/703668725.db2.gz ZIPCHHVQIBSXFX-UHFFFAOYSA-N 2 2 343.387 1.572 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000564870821 306367956 /nfs/dbraw/zinc/36/79/56/306367956.db2.gz ATLBORUBSPMURN-TZMCWYRMSA-N 2 2 332.360 1.136 20 5 EDBDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090538849 274356496 /nfs/dbraw/zinc/35/64/96/274356496.db2.gz IQBKLLLICUDAGR-PBHICJAKSA-N 2 2 344.419 1.687 20 5 EDBDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090538849 274356497 /nfs/dbraw/zinc/35/64/97/274356497.db2.gz IQBKLLLICUDAGR-PBHICJAKSA-N 2 2 344.419 1.687 20 5 EDBDLP C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448570358 305298528 /nfs/dbraw/zinc/29/85/28/305298528.db2.gz UAVJTQPTFLEKIO-UHFFFAOYSA-N 2 2 329.360 1.558 20 5 EDBDLP C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448570358 305298529 /nfs/dbraw/zinc/29/85/29/305298529.db2.gz UAVJTQPTFLEKIO-UHFFFAOYSA-N 2 2 329.360 1.558 20 5 EDBDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)CC1 ZINC000549860214 306149359 /nfs/dbraw/zinc/14/93/59/306149359.db2.gz JWAQQZBMTWZEOZ-INIZCTEOSA-N 2 2 348.447 1.901 20 5 EDBDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)CC1 ZINC000549860214 306149360 /nfs/dbraw/zinc/14/93/60/306149360.db2.gz JWAQQZBMTWZEOZ-INIZCTEOSA-N 2 2 348.447 1.901 20 5 EDBDLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414959452 447373614 /nfs/dbraw/zinc/37/36/14/447373614.db2.gz FOOBXLYDVPVGIB-OAHLLOKOSA-N 2 2 330.388 1.848 20 5 EDBDLP C[N@H+](CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000066924616 441589494 /nfs/dbraw/zinc/58/94/94/441589494.db2.gz UZKFHGHXIYBCGZ-UHFFFAOYSA-N 2 2 329.360 1.605 20 5 EDBDLP C[N@@H+](CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000066924616 441589498 /nfs/dbraw/zinc/58/94/98/441589498.db2.gz UZKFHGHXIYBCGZ-UHFFFAOYSA-N 2 2 329.360 1.605 20 5 EDBDLP C[NH+](C)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000079031439 442010900 /nfs/dbraw/zinc/01/09/00/442010900.db2.gz IFVBAKWFGONAJK-INIZCTEOSA-N 2 2 343.387 1.851 20 5 EDBDLP C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCN(c2cccc[nH+]2)CC1 ZINC000079441000 442047839 /nfs/dbraw/zinc/04/78/39/442047839.db2.gz HJJODFMPMOAJKW-UHFFFAOYSA-N 2 2 330.392 1.787 20 5 EDBDLP C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCN(c2cccc[nH+]2)CC1 ZINC000079441000 442047844 /nfs/dbraw/zinc/04/78/44/442047844.db2.gz HJJODFMPMOAJKW-UHFFFAOYSA-N 2 2 330.392 1.787 20 5 EDBDLP CC[N@H+](CCO)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000184548024 443036968 /nfs/dbraw/zinc/03/69/68/443036968.db2.gz MLNCLLLJRNLSBR-UHFFFAOYSA-N 2 2 347.419 1.399 20 5 EDBDLP CC[N@@H+](CCO)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000184548024 443036971 /nfs/dbraw/zinc/03/69/71/443036971.db2.gz MLNCLLLJRNLSBR-UHFFFAOYSA-N 2 2 347.419 1.399 20 5 EDBDLP C[C@@H]1[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343483386 445231551 /nfs/dbraw/zinc/23/15/51/445231551.db2.gz DRFZTRLVBUGIHE-TZMCWYRMSA-N 2 2 343.387 1.993 20 5 EDBDLP C[C@@H]1[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343483386 445231552 /nfs/dbraw/zinc/23/15/52/445231552.db2.gz DRFZTRLVBUGIHE-TZMCWYRMSA-N 2 2 343.387 1.993 20 5 EDBDLP COC(=O)COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000357125803 445441686 /nfs/dbraw/zinc/44/16/86/445441686.db2.gz WNKSYJICJPEHJH-KBPBESRZSA-N 2 2 349.387 1.188 20 5 EDBDLP COC(=O)COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000357125803 445441689 /nfs/dbraw/zinc/44/16/89/445441689.db2.gz WNKSYJICJPEHJH-KBPBESRZSA-N 2 2 349.387 1.188 20 5 EDBDLP CC[NH+]1CCC([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000359952406 445502238 /nfs/dbraw/zinc/50/22/38/445502238.db2.gz MDAQTNGGTWEOPY-MRXNPFEDSA-N 2 2 332.404 1.774 20 5 EDBDLP Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000369272932 446038870 /nfs/dbraw/zinc/03/88/70/446038870.db2.gz DMZGKVRNXVFIIZ-HNNXBMFYSA-N 2 2 346.431 1.802 20 5 EDBDLP Cc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000369272932 446038875 /nfs/dbraw/zinc/03/88/75/446038875.db2.gz DMZGKVRNXVFIIZ-HNNXBMFYSA-N 2 2 346.431 1.802 20 5 EDBDLP O=[N+]([O-])c1cnn(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000356886027 446095482 /nfs/dbraw/zinc/09/54/82/446095482.db2.gz XIIMOJDLNSPIEJ-UHFFFAOYSA-N 2 2 335.330 1.798 20 5 EDBDLP C[N@@H+]1CCC[C@H](N2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000369360880 446102131 /nfs/dbraw/zinc/10/21/31/446102131.db2.gz YYCIPVNKNSMKEC-KRWDZBQOSA-N 2 2 348.447 1.685 20 5 EDBDLP C[N@H+]1CCC[C@H](N2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000369360880 446102132 /nfs/dbraw/zinc/10/21/32/446102132.db2.gz YYCIPVNKNSMKEC-KRWDZBQOSA-N 2 2 348.447 1.685 20 5 EDBDLP C[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000370898788 446506254 /nfs/dbraw/zinc/50/62/54/446506254.db2.gz HDWNVICJDUVTRS-CZUORRHYSA-N 2 2 337.424 1.101 20 5 EDBDLP C[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000370898788 446506260 /nfs/dbraw/zinc/50/62/60/446506260.db2.gz HDWNVICJDUVTRS-CZUORRHYSA-N 2 2 337.424 1.101 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591448941 448366803 /nfs/dbraw/zinc/36/68/03/448366803.db2.gz RCIBXWNKVOTPEL-SWLSCSKDSA-N 2 2 348.403 1.616 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591448941 448366806 /nfs/dbraw/zinc/36/68/06/448366806.db2.gz RCIBXWNKVOTPEL-SWLSCSKDSA-N 2 2 348.403 1.616 20 5 EDBDLP CNc1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000597989313 449173982 /nfs/dbraw/zinc/17/39/82/449173982.db2.gz CRMILEDVOPJONN-UHFFFAOYSA-N 2 2 337.424 1.250 20 5 EDBDLP CNc1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000597989313 449173989 /nfs/dbraw/zinc/17/39/89/449173989.db2.gz CRMILEDVOPJONN-UHFFFAOYSA-N 2 2 337.424 1.250 20 5 EDBDLP COc1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000597990350 449174960 /nfs/dbraw/zinc/17/49/60/449174960.db2.gz SZOYVANDIIRIMD-UHFFFAOYSA-N 2 2 338.408 1.217 20 5 EDBDLP COc1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000597990350 449174964 /nfs/dbraw/zinc/17/49/64/449174964.db2.gz SZOYVANDIIRIMD-UHFFFAOYSA-N 2 2 338.408 1.217 20 5 EDBDLP CN(C[C@H](O)C[NH+]1CCOCC1)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601125957 449703368 /nfs/dbraw/zinc/70/33/68/449703368.db2.gz LKEFMBNZYMGTDC-AWEZNQCLSA-N 2 2 346.387 1.272 20 5 EDBDLP O=C(CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000601333362 449841325 /nfs/dbraw/zinc/84/13/25/449841325.db2.gz CQRVCWFCKHBLIF-HIFRSBDPSA-N 2 2 332.404 1.997 20 5 EDBDLP O=C(CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000601333362 449841329 /nfs/dbraw/zinc/84/13/29/449841329.db2.gz CQRVCWFCKHBLIF-HIFRSBDPSA-N 2 2 332.404 1.997 20 5 EDBDLP CCOc1cc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000602877802 449885711 /nfs/dbraw/zinc/88/57/11/449885711.db2.gz QXEMZYGGHRVVPT-KRWDZBQOSA-N 2 2 337.420 1.882 20 5 EDBDLP CCOc1cc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000602877802 449885712 /nfs/dbraw/zinc/88/57/12/449885712.db2.gz QXEMZYGGHRVVPT-KRWDZBQOSA-N 2 2 337.420 1.882 20 5 EDBDLP O=C(CC[N@@H+]1CCC[C@@]12CC[NH2+]C2)Nc1cc([N+](=O)[O-])ccc1F ZINC000903866905 592341995 /nfs/dbraw/zinc/34/19/95/592341995.db2.gz LPWKDLICKAVJGC-INIZCTEOSA-N 2 2 336.367 1.890 20 5 EDBDLP O=C(CC[N@H+]1CCC[C@@]12CC[NH2+]C2)Nc1cc([N+](=O)[O-])ccc1F ZINC000903866905 592342001 /nfs/dbraw/zinc/34/20/01/592342001.db2.gz LPWKDLICKAVJGC-INIZCTEOSA-N 2 2 336.367 1.890 20 5 EDBDLP C[N@H+](CCOCC[NH3+])CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000863554500 596617085 /nfs/dbraw/zinc/61/70/85/596617085.db2.gz AKKCKJXXNCXVOL-UHFFFAOYSA-N 2 2 330.772 1.094 20 5 EDBDLP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000863554500 596617086 /nfs/dbraw/zinc/61/70/86/596617086.db2.gz AKKCKJXXNCXVOL-UHFFFAOYSA-N 2 2 330.772 1.094 20 5 EDBDLP Cc1c(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000873035501 597166814 /nfs/dbraw/zinc/16/68/14/597166814.db2.gz LJKQIVVCXRPHFY-KRWDZBQOSA-N 2 2 348.447 1.936 20 5 EDBDLP Cc1c(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000873035501 597166816 /nfs/dbraw/zinc/16/68/16/597166816.db2.gz LJKQIVVCXRPHFY-KRWDZBQOSA-N 2 2 348.447 1.936 20 5 EDBDLP COc1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1[N+](=O)[O-] ZINC000877747383 597552874 /nfs/dbraw/zinc/55/28/74/597552874.db2.gz JHVMPOOYRUIFAB-UHFFFAOYSA-N 2 2 348.447 1.815 20 5 EDBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564849226 306367340 /nfs/dbraw/zinc/36/73/40/306367340.db2.gz JUFSXDHWZDUUPZ-VMGRFDJRSA-N 2 2 335.404 1.407 20 5 EDBDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564849226 306367341 /nfs/dbraw/zinc/36/73/41/306367341.db2.gz JUFSXDHWZDUUPZ-VMGRFDJRSA-N 2 2 335.404 1.407 20 5 EDBDLP CN(C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000246847160 139124015 /nfs/dbraw/zinc/12/40/15/139124015.db2.gz KQCFQMISLQHMMH-WMLDXEAASA-N 2 2 346.431 1.974 20 5 EDBDLP CN(C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000246847160 139124016 /nfs/dbraw/zinc/12/40/16/139124016.db2.gz KQCFQMISLQHMMH-WMLDXEAASA-N 2 2 346.431 1.974 20 5 EDBDLP CN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000246847160 139124017 /nfs/dbraw/zinc/12/40/17/139124017.db2.gz KQCFQMISLQHMMH-WMLDXEAASA-N 2 2 346.431 1.974 20 5 EDBDLP CN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000246847160 139124018 /nfs/dbraw/zinc/12/40/18/139124018.db2.gz KQCFQMISLQHMMH-WMLDXEAASA-N 2 2 346.431 1.974 20 5 EDBDLP C[NH+](C)C1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000416289130 304303424 /nfs/dbraw/zinc/30/34/24/304303424.db2.gz ILMCQFVIZZGYQR-UHFFFAOYSA-N 2 2 329.360 1.605 20 5 EDBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000355343868 150225092 /nfs/dbraw/zinc/22/50/92/150225092.db2.gz OSYRKBSXWKTZFU-UHFFFAOYSA-N 2 2 337.424 1.405 20 5 EDBDLP CC(C)(C)[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449912729 447409888 /nfs/dbraw/zinc/40/98/88/447409888.db2.gz PFVRNUWZVCOLIT-UHFFFAOYSA-N 2 2 331.376 1.898 20 5 EDBDLP C[NH+](C)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000063735391 441348327 /nfs/dbraw/zinc/34/83/27/441348327.db2.gz FEFVMYLLZNSOMS-UHFFFAOYSA-N 2 2 343.387 1.947 20 5 EDBDLP NC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000150792018 441951760 /nfs/dbraw/zinc/95/17/60/441951760.db2.gz JAFFVVHMVICZNY-CYBMUJFWSA-N 2 2 332.404 1.611 20 5 EDBDLP NC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000150792018 441951763 /nfs/dbraw/zinc/95/17/63/441951763.db2.gz JAFFVVHMVICZNY-CYBMUJFWSA-N 2 2 332.404 1.611 20 5 EDBDLP CC(C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448980055 320169337 /nfs/dbraw/zinc/16/93/37/320169337.db2.gz NHRPBLFLWYQMPG-UHFFFAOYSA-N 2 2 331.376 1.851 20 5 EDBDLP CC(C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448980055 320169340 /nfs/dbraw/zinc/16/93/40/320169340.db2.gz NHRPBLFLWYQMPG-UHFFFAOYSA-N 2 2 331.376 1.851 20 5 EDBDLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000516563333 320438309 /nfs/dbraw/zinc/43/83/09/320438309.db2.gz DWPQJWKOXCBXOL-INIZCTEOSA-N 2 2 331.372 1.870 20 5 EDBDLP C[C@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1[N+](=O)[O-] ZINC000361930769 446079797 /nfs/dbraw/zinc/07/97/97/446079797.db2.gz XEBFNLHOPLMVQU-RDJZCZTQSA-N 2 2 348.447 1.432 20 5 EDBDLP C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1[N+](=O)[O-] ZINC000361930769 446079802 /nfs/dbraw/zinc/07/98/02/446079802.db2.gz XEBFNLHOPLMVQU-RDJZCZTQSA-N 2 2 348.447 1.432 20 5 EDBDLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000361930769 446079810 /nfs/dbraw/zinc/07/98/10/446079810.db2.gz XEBFNLHOPLMVQU-RDJZCZTQSA-N 2 2 348.447 1.432 20 5 EDBDLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000361930769 446079816 /nfs/dbraw/zinc/07/98/16/446079816.db2.gz XEBFNLHOPLMVQU-RDJZCZTQSA-N 2 2 348.447 1.432 20 5 EDBDLP C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000361931070 446080006 /nfs/dbraw/zinc/08/00/06/446080006.db2.gz XUZHVSHMSMMSTB-CRAIPNDOSA-N 2 2 348.447 1.432 20 5 EDBDLP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000361931070 446080011 /nfs/dbraw/zinc/08/00/11/446080011.db2.gz XUZHVSHMSMMSTB-CRAIPNDOSA-N 2 2 348.447 1.432 20 5 EDBDLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000361931070 446080014 /nfs/dbraw/zinc/08/00/14/446080014.db2.gz XUZHVSHMSMMSTB-CRAIPNDOSA-N 2 2 348.447 1.432 20 5 EDBDLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000361931070 446080018 /nfs/dbraw/zinc/08/00/18/446080018.db2.gz XUZHVSHMSMMSTB-CRAIPNDOSA-N 2 2 348.447 1.432 20 5 EDBDLP C[C@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000361931073 446080470 /nfs/dbraw/zinc/08/04/70/446080470.db2.gz XUZHVSHMSMMSTB-YJBOKZPZSA-N 2 2 348.447 1.432 20 5 EDBDLP C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000361931073 446080475 /nfs/dbraw/zinc/08/04/75/446080475.db2.gz XUZHVSHMSMMSTB-YJBOKZPZSA-N 2 2 348.447 1.432 20 5 EDBDLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000361931073 446080479 /nfs/dbraw/zinc/08/04/79/446080479.db2.gz XUZHVSHMSMMSTB-YJBOKZPZSA-N 2 2 348.447 1.432 20 5 EDBDLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000361931073 446080485 /nfs/dbraw/zinc/08/04/85/446080485.db2.gz XUZHVSHMSMMSTB-YJBOKZPZSA-N 2 2 348.447 1.432 20 5 EDBDLP C[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000420395185 446570131 /nfs/dbraw/zinc/57/01/31/446570131.db2.gz CZUYALMVMKKVBD-GXTWGEPZSA-N 2 2 332.404 1.401 20 5 EDBDLP C[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000420395185 446570140 /nfs/dbraw/zinc/57/01/40/446570140.db2.gz CZUYALMVMKKVBD-GXTWGEPZSA-N 2 2 332.404 1.401 20 5 EDBDLP C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1C[NH3+] ZINC000420398268 446571704 /nfs/dbraw/zinc/57/17/04/446571704.db2.gz GUZFMGBCNCDDPX-DVOMOZLQSA-N 2 2 332.404 1.617 20 5 EDBDLP C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1C[NH3+] ZINC000420398268 446571709 /nfs/dbraw/zinc/57/17/09/446571709.db2.gz GUZFMGBCNCDDPX-DVOMOZLQSA-N 2 2 332.404 1.617 20 5 EDBDLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000442758408 446953797 /nfs/dbraw/zinc/95/37/97/446953797.db2.gz AVHFNLIXOQJTJO-NXEZZACHSA-N 2 2 326.784 1.856 20 5 EDBDLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000442758408 446953802 /nfs/dbraw/zinc/95/38/02/446953802.db2.gz AVHFNLIXOQJTJO-NXEZZACHSA-N 2 2 326.784 1.856 20 5 EDBDLP CN(C)c1[nH+]cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1C ZINC000425333366 447120865 /nfs/dbraw/zinc/12/08/65/447120865.db2.gz FEKOOUAKBCYYSA-UHFFFAOYSA-N 2 2 333.396 1.428 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000573111238 448546654 /nfs/dbraw/zinc/54/66/54/448546654.db2.gz OQFZBWLETQIAKG-QLFBSQMISA-N 2 2 335.404 1.551 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000573111238 448546661 /nfs/dbraw/zinc/54/66/61/448546661.db2.gz OQFZBWLETQIAKG-QLFBSQMISA-N 2 2 335.404 1.551 20 5 EDBDLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593727105 449162673 /nfs/dbraw/zinc/16/26/73/449162673.db2.gz DHXQPZILQVVQTP-ZDUSSCGKSA-N 2 2 336.392 1.120 20 5 EDBDLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593727105 449162683 /nfs/dbraw/zinc/16/26/83/449162683.db2.gz DHXQPZILQVVQTP-ZDUSSCGKSA-N 2 2 336.392 1.120 20 5 EDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601328254 449837243 /nfs/dbraw/zinc/83/72/43/449837243.db2.gz JCCDBWNURRYGEO-DYVFJYSZSA-N 2 2 332.404 1.964 20 5 EDBDLP CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000619481329 450485726 /nfs/dbraw/zinc/48/57/26/450485726.db2.gz GAKRJSPQONLBHO-CYBMUJFWSA-N 2 2 336.440 1.700 20 5 EDBDLP CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000619481329 450485728 /nfs/dbraw/zinc/48/57/28/450485728.db2.gz GAKRJSPQONLBHO-CYBMUJFWSA-N 2 2 336.440 1.700 20 5 EDBDLP C[N@H+](CCCO)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000115548887 486876253 /nfs/dbraw/zinc/87/62/53/486876253.db2.gz SCIVSBOIXBRARF-UHFFFAOYSA-N 2 2 337.420 1.752 20 5 EDBDLP C[N@@H+](CCCO)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000115548887 486876260 /nfs/dbraw/zinc/87/62/60/486876260.db2.gz SCIVSBOIXBRARF-UHFFFAOYSA-N 2 2 337.420 1.752 20 5 EDBDLP C[NH2+][C@H]1CCC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000261702016 536412569 /nfs/dbraw/zinc/41/25/69/536412569.db2.gz GFPDZQCOUXUVNE-LBPRGKRZSA-N 2 2 336.392 1.616 20 5 EDBDLP C[NH2+][C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000261702016 536412572 /nfs/dbraw/zinc/41/25/72/536412572.db2.gz GFPDZQCOUXUVNE-LBPRGKRZSA-N 2 2 336.392 1.616 20 5 EDBDLP O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000794632017 580900823 /nfs/dbraw/zinc/90/08/23/580900823.db2.gz PDSGSDJQVUTLID-LBPRGKRZSA-N 2 2 343.343 1.994 20 5 EDBDLP O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000794632017 580900824 /nfs/dbraw/zinc/90/08/24/580900824.db2.gz PDSGSDJQVUTLID-LBPRGKRZSA-N 2 2 343.343 1.994 20 5 EDBDLP Cc1cc(N2CC[NH2+]CC[NH2+]CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000900368381 591998767 /nfs/dbraw/zinc/99/87/67/591998767.db2.gz DVKDDOQYXGWEOO-UHFFFAOYSA-N 2 2 332.326 1.921 20 5 EDBDLP O=[N+]([O-])c1cc(Br)ccc1N1CC[NH2+]CC[NH2+]CC1 ZINC000900370005 591999380 /nfs/dbraw/zinc/99/93/80/591999380.db2.gz PUSXPBDDCQHHJU-UHFFFAOYSA-N 2 2 329.198 1.357 20 5 EDBDLP Cn1cc[nH+]c1[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000902463756 592000315 /nfs/dbraw/zinc/00/03/15/592000315.db2.gz BPFJWTSABZGKMF-XZDPQHSOSA-N 2 2 327.388 1.900 20 5 EDBDLP C[N@@H+]1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000911880440 593029700 /nfs/dbraw/zinc/02/97/00/593029700.db2.gz VUUTTXUFSWNMID-LLVKDONJSA-N 2 2 340.811 1.282 20 5 EDBDLP C[N@H+]1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000911880440 593029702 /nfs/dbraw/zinc/02/97/02/593029702.db2.gz VUUTTXUFSWNMID-LLVKDONJSA-N 2 2 340.811 1.282 20 5 EDBDLP CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000823266864 594178130 /nfs/dbraw/zinc/17/81/30/594178130.db2.gz IECDAACWOPQAQB-HNNXBMFYSA-N 2 2 340.468 1.449 20 5 EDBDLP CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000823266864 594178131 /nfs/dbraw/zinc/17/81/31/594178131.db2.gz IECDAACWOPQAQB-HNNXBMFYSA-N 2 2 340.468 1.449 20 5 EDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000855416132 595705582 /nfs/dbraw/zinc/70/55/82/595705582.db2.gz HEDOLEWWUZEAOO-YFHOEESVSA-N 2 2 334.420 1.608 20 5 EDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000855416132 595705587 /nfs/dbraw/zinc/70/55/87/595705587.db2.gz HEDOLEWWUZEAOO-YFHOEESVSA-N 2 2 334.420 1.608 20 5 EDBDLP O=[N+]([O-])c1cc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c2c(c1)COCO2 ZINC000562925492 306312631 /nfs/dbraw/zinc/31/26/31/306312631.db2.gz LJKPIHMISMZPRO-UHFFFAOYSA-N 2 2 345.359 1.507 20 5 EDBDLP C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000416310369 304308526 /nfs/dbraw/zinc/30/85/26/304308526.db2.gz ZPFKMPHXOGCEAG-UHFFFAOYSA-N 2 2 329.360 1.605 20 5 EDBDLP Cc1[nH+]ccn1CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000346300908 143188884 /nfs/dbraw/zinc/18/88/84/143188884.db2.gz DIPGCRUZIRCWPJ-UHFFFAOYSA-N 2 2 349.416 1.619 20 5 EDBDLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414959446 447374116 /nfs/dbraw/zinc/37/41/16/447374116.db2.gz FOFDJTVVCDXCEG-OAHLLOKOSA-N 2 2 330.388 1.848 20 5 EDBDLP CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000186753587 442606013 /nfs/dbraw/zinc/60/60/13/442606013.db2.gz HLCAHGDQIHHUOA-UHFFFAOYSA-N 2 2 343.387 1.947 20 5 EDBDLP CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000186753587 442606014 /nfs/dbraw/zinc/60/60/14/442606014.db2.gz HLCAHGDQIHHUOA-UHFFFAOYSA-N 2 2 343.387 1.947 20 5 EDBDLP C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448974966 320168222 /nfs/dbraw/zinc/16/82/22/320168222.db2.gz FCPWEGFHAFLAGX-CYBMUJFWSA-N 2 2 329.360 1.605 20 5 EDBDLP C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448974966 320168225 /nfs/dbraw/zinc/16/82/25/320168225.db2.gz FCPWEGFHAFLAGX-CYBMUJFWSA-N 2 2 329.360 1.605 20 5 EDBDLP C[NH+](C)CCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448977564 320169398 /nfs/dbraw/zinc/16/93/98/320169398.db2.gz YUNCNQATLWAPGM-UHFFFAOYSA-N 2 2 331.376 1.852 20 5 EDBDLP C[NH+](C)CC1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC1 ZINC000281138984 443830251 /nfs/dbraw/zinc/83/02/51/443830251.db2.gz UZLWEDHAJJVGJE-UHFFFAOYSA-N 2 2 343.387 1.995 20 5 EDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342111281 445177377 /nfs/dbraw/zinc/17/73/77/445177377.db2.gz UJQQTEYERVCIAQ-MELADBBJSA-N 2 2 332.404 1.901 20 5 EDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342111281 445177379 /nfs/dbraw/zinc/17/73/79/445177379.db2.gz UJQQTEYERVCIAQ-MELADBBJSA-N 2 2 332.404 1.901 20 5 EDBDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349661365 445639212 /nfs/dbraw/zinc/63/92/12/445639212.db2.gz FSIVYVURUJXUNK-DOMZBBRYSA-N 2 2 341.433 1.298 20 5 EDBDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349661365 445639220 /nfs/dbraw/zinc/63/92/20/445639220.db2.gz FSIVYVURUJXUNK-DOMZBBRYSA-N 2 2 341.433 1.298 20 5 EDBDLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582780947 325925615 /nfs/dbraw/zinc/92/56/15/325925615.db2.gz MGTFAMFJDUQTDW-HNNXBMFYSA-N 2 2 331.372 1.870 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000567711882 448745590 /nfs/dbraw/zinc/74/55/90/448745590.db2.gz UHZGHBJCCKGGOE-CHWSQXEVSA-N 2 2 332.360 1.136 20 5 EDBDLP COCC[NH+]1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602527826 449651625 /nfs/dbraw/zinc/65/16/25/449651625.db2.gz HKSJCCDDUGCHOS-UHFFFAOYSA-N 2 2 334.376 1.936 20 5 EDBDLP CC1([NH+]2CCCC2)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000602950809 449952644 /nfs/dbraw/zinc/95/26/44/449952644.db2.gz NOEWOGYOQLXITN-HNNXBMFYSA-N 2 2 337.424 1.103 20 5 EDBDLP O=C(NCC[NH+]1CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000078632836 491003555 /nfs/dbraw/zinc/00/35/55/491003555.db2.gz BHUYLEXQXUDHHV-UHFFFAOYSA-N 2 2 329.360 1.606 20 5 EDBDLP Cn1ncc([N+](=O)[O-])c1NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000892697725 591136323 /nfs/dbraw/zinc/13/63/23/591136323.db2.gz WAAUAEYNANBSJK-UHFFFAOYSA-N 2 2 336.440 1.691 20 5 EDBDLP C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000900380478 592002039 /nfs/dbraw/zinc/00/20/39/592002039.db2.gz MGWIMIAWSZATQG-GDBMZVCRSA-N 2 2 348.447 1.848 20 5 EDBDLP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000852760630 595531820 /nfs/dbraw/zinc/53/18/20/595531820.db2.gz JVEMOQUFGIEJOT-IRXDYDNUSA-N 2 2 337.420 1.671 20 5 EDBDLP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000852760630 595531822 /nfs/dbraw/zinc/53/18/22/595531822.db2.gz JVEMOQUFGIEJOT-IRXDYDNUSA-N 2 2 337.420 1.671 20 5 EDBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000858598972 595838673 /nfs/dbraw/zinc/83/86/73/595838673.db2.gz JFGSEDNJVOZXQB-KRWDZBQOSA-N 2 2 334.420 1.220 20 5 EDBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000858598972 595838679 /nfs/dbraw/zinc/83/86/79/595838679.db2.gz JFGSEDNJVOZXQB-KRWDZBQOSA-N 2 2 334.420 1.220 20 5 EDBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000883372317 597726269 /nfs/dbraw/zinc/72/62/69/597726269.db2.gz WOBQGYMWUMNMCR-QGZVFWFLSA-N 2 2 348.447 1.481 20 5 EDBDLP CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000264227514 139388367 /nfs/dbraw/zinc/38/83/67/139388367.db2.gz XINLALYPSZSAGI-ZDUSSCGKSA-N 2 2 343.387 1.804 20 5 EDBDLP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000264227514 139388368 /nfs/dbraw/zinc/38/83/68/139388368.db2.gz XINLALYPSZSAGI-ZDUSSCGKSA-N 2 2 343.387 1.804 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000363870112 153081004 /nfs/dbraw/zinc/08/10/04/153081004.db2.gz TTWLBGUOAVEKLY-GOSISDBHSA-N 2 2 348.447 1.351 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000363870112 153081008 /nfs/dbraw/zinc/08/10/08/153081008.db2.gz TTWLBGUOAVEKLY-GOSISDBHSA-N 2 2 348.447 1.351 20 5 EDBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000299070769 443945072 /nfs/dbraw/zinc/94/50/72/443945072.db2.gz KGIYGOMJKOGKNU-UHFFFAOYSA-N 2 2 340.449 1.754 20 5 EDBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000299070769 443945077 /nfs/dbraw/zinc/94/50/77/443945077.db2.gz KGIYGOMJKOGKNU-UHFFFAOYSA-N 2 2 340.449 1.754 20 5 EDBDLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000296068353 444202226 /nfs/dbraw/zinc/20/22/26/444202226.db2.gz VDHSPZBOIHODGC-AWEZNQCLSA-N 2 2 346.391 1.406 20 5 EDBDLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000296068353 444202230 /nfs/dbraw/zinc/20/22/30/444202230.db2.gz VDHSPZBOIHODGC-AWEZNQCLSA-N 2 2 346.391 1.406 20 5 EDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342153940 444538168 /nfs/dbraw/zinc/53/81/68/444538168.db2.gz ISAMWGACZCAKCZ-ZOBORPQBSA-N 2 2 332.404 1.981 20 5 EDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342153940 444538171 /nfs/dbraw/zinc/53/81/71/444538171.db2.gz ISAMWGACZCAKCZ-ZOBORPQBSA-N 2 2 332.404 1.981 20 5 EDBDLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430559788 447778241 /nfs/dbraw/zinc/77/82/41/447778241.db2.gz YBEDMOYAKPXZQR-XEZPLFJOSA-N 2 2 332.404 1.759 20 5 EDBDLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430559788 447778245 /nfs/dbraw/zinc/77/82/45/447778245.db2.gz YBEDMOYAKPXZQR-XEZPLFJOSA-N 2 2 332.404 1.759 20 5 EDBDLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423035106 447795609 /nfs/dbraw/zinc/79/56/09/447795609.db2.gz IVTJWAIKTXIYAC-HUUCEWRRSA-N 2 2 341.433 1.618 20 5 EDBDLP C[C@@](C[NH3+])([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000566246291 448429047 /nfs/dbraw/zinc/42/90/47/448429047.db2.gz SUKXNFABXAMUCH-AWEZNQCLSA-N 2 2 327.406 1.086 20 5 EDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000597990142 449175317 /nfs/dbraw/zinc/17/53/17/449175317.db2.gz OIRBHZOOQPBSOL-UHFFFAOYSA-N 2 2 342.827 1.862 20 5 EDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000597990142 449175321 /nfs/dbraw/zinc/17/53/21/449175321.db2.gz OIRBHZOOQPBSOL-UHFFFAOYSA-N 2 2 342.827 1.862 20 5 EDBDLP Cn1cc[nH+]c1[C@@H](NCC1([NH3+])CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000600706048 449507265 /nfs/dbraw/zinc/50/72/65/449507265.db2.gz CGWYWQAAYJFUMI-HNNXBMFYSA-N 2 2 345.403 1.515 20 5 EDBDLP Cc1c([C@H](C)[NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)cccc1[N+](=O)[O-] ZINC000600712708 449510863 /nfs/dbraw/zinc/51/08/63/449510863.db2.gz ZWMDUEYWBKBXBI-GXTWGEPZSA-N 2 2 330.392 1.880 20 5 EDBDLP C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C[NH3+])C1 ZINC000598913001 449644236 /nfs/dbraw/zinc/64/42/36/449644236.db2.gz DUIBGWGDSOHACE-JTQLQIEISA-N 2 2 327.772 1.355 20 5 EDBDLP C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C[NH3+])C1 ZINC000598913001 449644239 /nfs/dbraw/zinc/64/42/39/449644239.db2.gz DUIBGWGDSOHACE-JTQLQIEISA-N 2 2 327.772 1.355 20 5 EDBDLP C[C@H](CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)C[NH+]1CCOCC1 ZINC000601122507 449702063 /nfs/dbraw/zinc/70/20/63/449702063.db2.gz YDAYTTGWBXUVOY-CYBMUJFWSA-N 2 2 330.388 1.945 20 5 EDBDLP Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000610240428 450158425 /nfs/dbraw/zinc/15/84/25/450158425.db2.gz HQBGISPKBFNAPM-CQSZACIVSA-N 2 2 346.431 1.802 20 5 EDBDLP Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000610240428 450158428 /nfs/dbraw/zinc/15/84/28/450158428.db2.gz HQBGISPKBFNAPM-CQSZACIVSA-N 2 2 346.431 1.802 20 5 EDBDLP C[NH+](C)[C@@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000615996167 450294919 /nfs/dbraw/zinc/29/49/19/450294919.db2.gz PLKVUNSJAMIMJC-MRXNPFEDSA-N 2 2 348.447 1.957 20 5 EDBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000753369754 579878072 /nfs/dbraw/zinc/87/80/72/579878072.db2.gz YCLDSNOBVYEMKT-MRXNPFEDSA-N 2 2 339.355 1.999 20 5 EDBDLP Cc1nn(C[N@H+](C)CCCn2cc[nH+]c2)c2ncc([N+](=O)[O-])cc12 ZINC000767760693 580198784 /nfs/dbraw/zinc/19/87/84/580198784.db2.gz ZNSCGBPPNWTWFF-UHFFFAOYSA-N 2 2 329.364 1.824 20 5 EDBDLP Cc1nn(C[N@@H+](C)CCCn2cc[nH+]c2)c2ncc([N+](=O)[O-])cc12 ZINC000767760693 580198785 /nfs/dbraw/zinc/19/87/85/580198785.db2.gz ZNSCGBPPNWTWFF-UHFFFAOYSA-N 2 2 329.364 1.824 20 5 EDBDLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000779865495 580500178 /nfs/dbraw/zinc/50/01/78/580500178.db2.gz PVSGORNSMNASSN-CQSZACIVSA-N 2 2 325.413 1.490 20 5 EDBDLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000779865495 580500179 /nfs/dbraw/zinc/50/01/79/580500179.db2.gz PVSGORNSMNASSN-CQSZACIVSA-N 2 2 325.413 1.490 20 5 EDBDLP C[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000900380479 592002032 /nfs/dbraw/zinc/00/20/32/592002032.db2.gz MGWIMIAWSZATQG-GOEBONIOSA-N 2 2 348.447 1.848 20 5 EDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000905618219 592595376 /nfs/dbraw/zinc/59/53/76/592595376.db2.gz HLFIAXOZSSRVBN-IAGOWNOFSA-N 2 2 335.404 1.471 20 5 EDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)c1 ZINC000905618219 592595379 /nfs/dbraw/zinc/59/53/79/592595379.db2.gz HLFIAXOZSSRVBN-IAGOWNOFSA-N 2 2 335.404 1.471 20 5 EDBDLP Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000824438738 594012033 /nfs/dbraw/zinc/01/20/33/594012033.db2.gz YRYXPRKTOJHIDM-UHFFFAOYSA-N 2 2 336.436 1.825 20 5 EDBDLP Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000824438738 594012034 /nfs/dbraw/zinc/01/20/34/594012034.db2.gz YRYXPRKTOJHIDM-UHFFFAOYSA-N 2 2 336.436 1.825 20 5 EDBDLP C[S@](=O)CC[NH+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000865554372 596609808 /nfs/dbraw/zinc/60/98/08/596609808.db2.gz YLGBIQNLCNGVHK-DEOSSOPVSA-N 2 2 348.428 1.644 20 5 EDBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877284943 597486425 /nfs/dbraw/zinc/48/64/25/597486425.db2.gz XCYAAWOGPMTRDG-ZIAGYGMSSA-N 2 2 341.371 1.747 20 5 EDBDLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879580268 597642014 /nfs/dbraw/zinc/64/20/14/597642014.db2.gz GNANREPEAALKPB-ILXRZTDVSA-N 2 2 335.404 1.361 20 5 EDBDLP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879580268 597642016 /nfs/dbraw/zinc/64/20/16/597642016.db2.gz GNANREPEAALKPB-ILXRZTDVSA-N 2 2 335.404 1.361 20 5 EDBDLP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879580268 597642019 /nfs/dbraw/zinc/64/20/19/597642019.db2.gz GNANREPEAALKPB-ILXRZTDVSA-N 2 2 335.404 1.361 20 5 EDBDLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879580268 597642025 /nfs/dbraw/zinc/64/20/25/597642025.db2.gz GNANREPEAALKPB-ILXRZTDVSA-N 2 2 335.404 1.361 20 5 EDBDLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000562478459 306299752 /nfs/dbraw/zinc/29/97/52/306299752.db2.gz HNJWCJDCYWGNJZ-UKRRQHHQSA-N 2 2 325.409 1.493 20 5 EDBDLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000562478459 306299753 /nfs/dbraw/zinc/29/97/53/306299753.db2.gz HNJWCJDCYWGNJZ-UKRRQHHQSA-N 2 2 325.409 1.493 20 5 EDBDLP C[C@H]1CCC[N@@H+]1C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090564483 138279569 /nfs/dbraw/zinc/27/95/69/138279569.db2.gz VTWBYCUOUOONDH-AWEZNQCLSA-N 2 2 334.420 1.705 20 5 EDBDLP C[C@H]1CCC[N@H+]1C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090564483 138279570 /nfs/dbraw/zinc/27/95/70/138279570.db2.gz VTWBYCUOUOONDH-AWEZNQCLSA-N 2 2 334.420 1.705 20 5 EDBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262603407 139289383 /nfs/dbraw/zinc/28/93/83/139289383.db2.gz QSWIETYTWSFUBM-KGLIPLIRSA-N 2 2 341.371 1.747 20 5 EDBDLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000424277725 252188316 /nfs/dbraw/zinc/18/83/16/252188316.db2.gz ASFNMSZAHHIGAB-NXEZZACHSA-N 2 2 336.348 1.122 20 5 EDBDLP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1ccc([N+](=O)[O-])cc1 ZINC000375503709 287056360 /nfs/dbraw/zinc/05/63/60/287056360.db2.gz XVRBIHRNLDEZPO-JDSLSITLSA-N 2 2 343.387 1.999 20 5 EDBDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000123085749 222212048 /nfs/dbraw/zinc/21/20/48/222212048.db2.gz MZWYQDGKYBKCQD-ZFWWWQNUSA-N 2 2 346.431 1.898 20 5 EDBDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000123085749 222212051 /nfs/dbraw/zinc/21/20/51/222212051.db2.gz MZWYQDGKYBKCQD-ZFWWWQNUSA-N 2 2 346.431 1.898 20 5 EDBDLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[NH+]1C ZINC000123085749 222212054 /nfs/dbraw/zinc/21/20/54/222212054.db2.gz MZWYQDGKYBKCQD-ZFWWWQNUSA-N 2 2 346.431 1.898 20 5 EDBDLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[NH+]1C ZINC000123085749 222212055 /nfs/dbraw/zinc/21/20/55/222212055.db2.gz MZWYQDGKYBKCQD-ZFWWWQNUSA-N 2 2 346.431 1.898 20 5 EDBDLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000332039530 277103130 /nfs/dbraw/zinc/10/31/30/277103130.db2.gz KGBJSUUAQSUQDG-ILXRZTDVSA-N 2 2 336.440 1.110 20 5 EDBDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000332039530 277103132 /nfs/dbraw/zinc/10/31/32/277103132.db2.gz KGBJSUUAQSUQDG-ILXRZTDVSA-N 2 2 336.440 1.110 20 5 EDBDLP C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000178962880 442539595 /nfs/dbraw/zinc/53/95/95/442539595.db2.gz SWWPEWWXCCCUGZ-LBPRGKRZSA-N 2 2 329.360 1.462 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342099474 445171524 /nfs/dbraw/zinc/17/15/24/445171524.db2.gz JSPXBBGAMDGYJW-YUTCNCBUSA-N 2 2 348.403 1.601 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342099474 445171526 /nfs/dbraw/zinc/17/15/26/445171526.db2.gz JSPXBBGAMDGYJW-YUTCNCBUSA-N 2 2 348.403 1.601 20 5 EDBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000369269034 446034073 /nfs/dbraw/zinc/03/40/73/446034073.db2.gz VHOXLCBNMLNCQE-HNNXBMFYSA-N 2 2 346.431 1.422 20 5 EDBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000369269034 446034075 /nfs/dbraw/zinc/03/40/75/446034075.db2.gz VHOXLCBNMLNCQE-HNNXBMFYSA-N 2 2 346.431 1.422 20 5 EDBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000373116433 446040035 /nfs/dbraw/zinc/04/00/35/446040035.db2.gz VYELNXAPUBXXRD-ZDUSSCGKSA-N 2 2 331.376 1.370 20 5 EDBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000373116433 446040037 /nfs/dbraw/zinc/04/00/37/446040037.db2.gz VYELNXAPUBXXRD-ZDUSSCGKSA-N 2 2 331.376 1.370 20 5 EDBDLP C[C@H]1[NH2+]CCC[C@@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000420246047 446429450 /nfs/dbraw/zinc/42/94/50/446429450.db2.gz MQMXDACBKYUVOJ-HIFRSBDPSA-N 2 2 334.420 1.979 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000368285284 446760573 /nfs/dbraw/zinc/76/05/73/446760573.db2.gz UISRHQRYOJGHQL-UHFFFAOYSA-N 2 2 346.431 1.642 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000368285284 446760576 /nfs/dbraw/zinc/76/05/76/446760576.db2.gz UISRHQRYOJGHQL-UHFFFAOYSA-N 2 2 346.431 1.642 20 5 EDBDLP Cc1cc(N2CC[N@@H+](C)C[C@H]2C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000514850538 448213920 /nfs/dbraw/zinc/21/39/20/448213920.db2.gz YXUVJDJPWGJGNE-OAHLLOKOSA-N 2 2 342.403 1.439 20 5 EDBDLP Cc1cc(N2CC[N@H+](C)C[C@H]2C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000514850538 448213926 /nfs/dbraw/zinc/21/39/26/448213926.db2.gz YXUVJDJPWGJGNE-OAHLLOKOSA-N 2 2 342.403 1.439 20 5 EDBDLP C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000572455542 448381269 /nfs/dbraw/zinc/38/12/69/448381269.db2.gz DVIXUPYDWQTOQK-CJNGLKHVSA-N 2 2 341.371 1.557 20 5 EDBDLP C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000572455542 448381276 /nfs/dbraw/zinc/38/12/76/448381276.db2.gz DVIXUPYDWQTOQK-CJNGLKHVSA-N 2 2 341.371 1.557 20 5 EDBDLP CC[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611088192 449164712 /nfs/dbraw/zinc/16/47/12/449164712.db2.gz JCPWYVFSFXFDMX-ZDUSSCGKSA-N 2 2 343.387 1.947 20 5 EDBDLP CC[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611088192 449164717 /nfs/dbraw/zinc/16/47/17/449164717.db2.gz JCPWYVFSFXFDMX-ZDUSSCGKSA-N 2 2 343.387 1.947 20 5 EDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000597990384 449174833 /nfs/dbraw/zinc/17/48/33/449174833.db2.gz UPYDIDOIVVNOHF-UHFFFAOYSA-N 2 2 347.419 1.689 20 5 EDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000597990384 449174839 /nfs/dbraw/zinc/17/48/39/449174839.db2.gz UPYDIDOIVVNOHF-UHFFFAOYSA-N 2 2 347.419 1.689 20 5 EDBDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602612768 449704932 /nfs/dbraw/zinc/70/49/32/449704932.db2.gz QOGRUTYUBZJVSD-ZDUSSCGKSA-N 2 2 333.310 1.770 20 5 EDBDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602612768 449704935 /nfs/dbraw/zinc/70/49/35/449704935.db2.gz QOGRUTYUBZJVSD-ZDUSSCGKSA-N 2 2 333.310 1.770 20 5 EDBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000603910131 450375671 /nfs/dbraw/zinc/37/56/71/450375671.db2.gz JWEUHTKGKKWPGU-RAIGVLPGSA-N 2 2 329.360 1.857 20 5 EDBDLP C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000841010877 591539338 /nfs/dbraw/zinc/53/93/38/591539338.db2.gz JWPFEASQEMCNIC-JTQLQIEISA-N 2 2 327.772 1.355 20 5 EDBDLP C[N@H+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000841010877 591539340 /nfs/dbraw/zinc/53/93/40/591539340.db2.gz JWPFEASQEMCNIC-JTQLQIEISA-N 2 2 327.772 1.355 20 5 EDBDLP COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH2+]CC[NH2+]CC1 ZINC000900369335 591998932 /nfs/dbraw/zinc/99/89/32/591998932.db2.gz RWJIDKJMWXQATE-UHFFFAOYSA-N 2 2 342.783 1.034 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903866685 592342011 /nfs/dbraw/zinc/34/20/11/592342011.db2.gz WXYVEKXNTIYNIX-KRWDZBQOSA-N 2 2 348.403 1.760 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903866685 592342015 /nfs/dbraw/zinc/34/20/15/592342015.db2.gz WXYVEKXNTIYNIX-KRWDZBQOSA-N 2 2 348.403 1.760 20 5 EDBDLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997042661 703292319 /nfs/dbraw/zinc/29/23/19/703292319.db2.gz SIHDZVKKPINBOD-UHFFFAOYSA-N 2 2 349.416 1.703 20 5 EDBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103150915 219262995 /nfs/dbraw/zinc/26/29/95/219262995.db2.gz BDWDQUUDWARESE-OAHLLOKOSA-N 2 2 346.431 1.896 20 5 EDBDLP C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000261791557 139226510 /nfs/dbraw/zinc/22/65/10/139226510.db2.gz MANVQAVPNQXPOZ-TZMCWYRMSA-N 2 2 343.387 1.980 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261941069 139238734 /nfs/dbraw/zinc/23/87/34/139238734.db2.gz MVNASAFTLJQZLZ-BZUAXINKSA-N 2 2 335.404 1.850 20 5 EDBDLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000369880424 155216029 /nfs/dbraw/zinc/21/60/29/155216029.db2.gz ALXWUOXTRVJQCD-WBVHZDCISA-N 2 2 348.447 1.652 20 5 EDBDLP C[N@@H+]1CCN(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C(=O)C1 ZINC000374741475 157384307 /nfs/dbraw/zinc/38/43/07/157384307.db2.gz ASAQZUHRDYOIDO-UHFFFAOYSA-N 2 2 332.404 1.333 20 5 EDBDLP C[N@H+]1CCN(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C(=O)C1 ZINC000374741475 157384309 /nfs/dbraw/zinc/38/43/09/157384309.db2.gz ASAQZUHRDYOIDO-UHFFFAOYSA-N 2 2 332.404 1.333 20 5 EDBDLP C[C@H]1C[C@H]([NH+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000123351310 222262208 /nfs/dbraw/zinc/26/22/08/222262208.db2.gz NERCUBJEXGOOCM-DZGCQCFKSA-N 2 2 346.431 1.898 20 5 EDBDLP C[C@H]1C[C@H]([NH+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000123351310 222262210 /nfs/dbraw/zinc/26/22/10/222262210.db2.gz NERCUBJEXGOOCM-DZGCQCFKSA-N 2 2 346.431 1.898 20 5 EDBDLP C[C@H]1C[C@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[NH+]1C ZINC000123351310 222262212 /nfs/dbraw/zinc/26/22/12/222262212.db2.gz NERCUBJEXGOOCM-DZGCQCFKSA-N 2 2 346.431 1.898 20 5 EDBDLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[NH+]1C ZINC000123351310 222262215 /nfs/dbraw/zinc/26/22/15/222262215.db2.gz NERCUBJEXGOOCM-DZGCQCFKSA-N 2 2 346.431 1.898 20 5 EDBDLP COc1ccc(NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430568406 305056069 /nfs/dbraw/zinc/05/60/69/305056069.db2.gz KKVNFTTUYHCLTN-CYBMUJFWSA-N 2 2 338.408 1.847 20 5 EDBDLP COc1ccc(NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430568406 305056070 /nfs/dbraw/zinc/05/60/70/305056070.db2.gz KKVNFTTUYHCLTN-CYBMUJFWSA-N 2 2 338.408 1.847 20 5 EDBDLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414963478 447375750 /nfs/dbraw/zinc/37/57/50/447375750.db2.gz KWBNCEVHKZMPIT-ZDUSSCGKSA-N 2 2 330.388 1.848 20 5 EDBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000139976522 441830093 /nfs/dbraw/zinc/83/00/93/441830093.db2.gz LXLXAYNKGDLJNM-ZFWWWQNUSA-N 2 2 332.404 1.610 20 5 EDBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000139976522 441830100 /nfs/dbraw/zinc/83/01/00/441830100.db2.gz LXLXAYNKGDLJNM-ZFWWWQNUSA-N 2 2 332.404 1.610 20 5 EDBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000139976522 441830104 /nfs/dbraw/zinc/83/01/04/441830104.db2.gz LXLXAYNKGDLJNM-ZFWWWQNUSA-N 2 2 332.404 1.610 20 5 EDBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000139976522 441830112 /nfs/dbraw/zinc/83/01/12/441830112.db2.gz LXLXAYNKGDLJNM-ZFWWWQNUSA-N 2 2 332.404 1.610 20 5 EDBDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181975896 442724587 /nfs/dbraw/zinc/72/45/87/442724587.db2.gz MIOJRTBFAFFSQX-PMPSAXMXSA-N 2 2 349.431 1.893 20 5 EDBDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181975896 442724590 /nfs/dbraw/zinc/72/45/90/442724590.db2.gz MIOJRTBFAFFSQX-PMPSAXMXSA-N 2 2 349.431 1.893 20 5 EDBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181975896 442724591 /nfs/dbraw/zinc/72/45/91/442724591.db2.gz MIOJRTBFAFFSQX-PMPSAXMXSA-N 2 2 349.431 1.893 20 5 EDBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181975896 442724594 /nfs/dbraw/zinc/72/45/94/442724594.db2.gz MIOJRTBFAFFSQX-PMPSAXMXSA-N 2 2 349.431 1.893 20 5 EDBDLP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]2C1 ZINC000193599481 442757897 /nfs/dbraw/zinc/75/78/97/442757897.db2.gz XGWOGYMMWXZHTK-ZENOOKHLSA-N 2 2 330.388 1.194 20 5 EDBDLP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]2C1 ZINC000193599481 442757898 /nfs/dbraw/zinc/75/78/98/442757898.db2.gz XGWOGYMMWXZHTK-ZENOOKHLSA-N 2 2 330.388 1.194 20 5 EDBDLP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]2C1 ZINC000193599481 442757900 /nfs/dbraw/zinc/75/79/00/442757900.db2.gz XGWOGYMMWXZHTK-ZENOOKHLSA-N 2 2 330.388 1.194 20 5 EDBDLP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]2C1 ZINC000193599481 442757902 /nfs/dbraw/zinc/75/79/02/442757902.db2.gz XGWOGYMMWXZHTK-ZENOOKHLSA-N 2 2 330.388 1.194 20 5 EDBDLP C[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448764117 320157630 /nfs/dbraw/zinc/15/76/30/320157630.db2.gz QMTLNVIEIBJPKI-GFCCVEGCSA-N 2 2 329.360 1.462 20 5 EDBDLP C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448764117 320157632 /nfs/dbraw/zinc/15/76/32/320157632.db2.gz QMTLNVIEIBJPKI-GFCCVEGCSA-N 2 2 329.360 1.462 20 5 EDBDLP C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000448792627 320160408 /nfs/dbraw/zinc/16/04/08/320160408.db2.gz DNZGTJJMMPGVGH-UHFFFAOYSA-N 2 2 329.360 1.605 20 5 EDBDLP C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000448792627 320160409 /nfs/dbraw/zinc/16/04/09/320160409.db2.gz DNZGTJJMMPGVGH-UHFFFAOYSA-N 2 2 329.360 1.605 20 5 EDBDLP COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000342127313 444522052 /nfs/dbraw/zinc/52/20/52/444522052.db2.gz MAXJQOYYRCSHKM-UBHSHLNASA-N 2 2 348.403 1.601 20 5 EDBDLP COc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000342127313 444522057 /nfs/dbraw/zinc/52/20/57/444522057.db2.gz MAXJQOYYRCSHKM-UBHSHLNASA-N 2 2 348.403 1.601 20 5 EDBDLP COC(=O)COc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000357125806 445441385 /nfs/dbraw/zinc/44/13/85/445441385.db2.gz WNKSYJICJPEHJH-ZIAGYGMSSA-N 2 2 349.387 1.188 20 5 EDBDLP COC(=O)COc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000357125806 445441394 /nfs/dbraw/zinc/44/13/94/445441394.db2.gz WNKSYJICJPEHJH-ZIAGYGMSSA-N 2 2 349.387 1.188 20 5 EDBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362827598 445569172 /nfs/dbraw/zinc/56/91/72/445569172.db2.gz AHGWMWWDXAJXKV-KGLIPLIRSA-N 2 2 332.404 1.552 20 5 EDBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362827598 445569181 /nfs/dbraw/zinc/56/91/81/445569181.db2.gz AHGWMWWDXAJXKV-KGLIPLIRSA-N 2 2 332.404 1.552 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351477889 446079574 /nfs/dbraw/zinc/07/95/74/446079574.db2.gz ODZZDBJDNNKKPJ-CYZMBNFOSA-N 2 2 334.376 1.211 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351477889 446079581 /nfs/dbraw/zinc/07/95/81/446079581.db2.gz ODZZDBJDNNKKPJ-CYZMBNFOSA-N 2 2 334.376 1.211 20 5 EDBDLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]12 ZINC000351495954 446100255 /nfs/dbraw/zinc/10/02/55/446100255.db2.gz QIKAGCGYEGCNFV-IACUBPJLSA-N 2 2 329.360 1.814 20 5 EDBDLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]12 ZINC000351495954 446100263 /nfs/dbraw/zinc/10/02/63/446100263.db2.gz QIKAGCGYEGCNFV-IACUBPJLSA-N 2 2 329.360 1.814 20 5 EDBDLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000420285134 446450785 /nfs/dbraw/zinc/45/07/85/446450785.db2.gz DVCMUBHBIDCIIV-LBPRGKRZSA-N 2 2 336.392 1.616 20 5 EDBDLP C[NH2+]C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000420285134 446450792 /nfs/dbraw/zinc/45/07/92/446450792.db2.gz DVCMUBHBIDCIIV-LBPRGKRZSA-N 2 2 336.392 1.616 20 5 EDBDLP CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830979 446465976 /nfs/dbraw/zinc/46/59/76/446465976.db2.gz QVZBDLSCVWHAQG-KRWDZBQOSA-N 2 2 346.431 1.835 20 5 EDBDLP CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830979 446465980 /nfs/dbraw/zinc/46/59/80/446465980.db2.gz QVZBDLSCVWHAQG-KRWDZBQOSA-N 2 2 346.431 1.835 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C)(C)C[NH+](C)C ZINC000411819280 446680933 /nfs/dbraw/zinc/68/09/33/446680933.db2.gz PYCDPBDNAWJWKF-UHFFFAOYSA-N 2 2 338.408 1.862 20 5 EDBDLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000422635126 447681288 /nfs/dbraw/zinc/68/12/88/447681288.db2.gz KXFDQHOUEGUTBJ-MGPQQGTHSA-N 2 2 334.420 1.863 20 5 EDBDLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000422635126 447681294 /nfs/dbraw/zinc/68/12/94/447681294.db2.gz KXFDQHOUEGUTBJ-MGPQQGTHSA-N 2 2 334.420 1.863 20 5 EDBDLP CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000582468384 448244915 /nfs/dbraw/zinc/24/49/15/448244915.db2.gz UTIOOYFAJMVFSM-AWEZNQCLSA-N 2 2 343.387 1.947 20 5 EDBDLP CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000582468384 448244919 /nfs/dbraw/zinc/24/49/19/448244919.db2.gz UTIOOYFAJMVFSM-AWEZNQCLSA-N 2 2 343.387 1.947 20 5 EDBDLP CC(C)[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000584719360 448608708 /nfs/dbraw/zinc/60/87/08/448608708.db2.gz PTNZKPAKFSXSJX-UHFFFAOYSA-N 2 2 331.376 1.898 20 5 EDBDLP COc1cccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597989880 449175136 /nfs/dbraw/zinc/17/51/36/449175136.db2.gz LQYPZKBRVAVUEK-UHFFFAOYSA-N 2 2 338.408 1.217 20 5 EDBDLP COc1cccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597989880 449175140 /nfs/dbraw/zinc/17/51/40/449175140.db2.gz LQYPZKBRVAVUEK-UHFFFAOYSA-N 2 2 338.408 1.217 20 5 EDBDLP CC(C)[C@H]([NH3+])CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000595951833 449277053 /nfs/dbraw/zinc/27/70/53/449277053.db2.gz SZDVFTAQQNOZMB-CYBMUJFWSA-N 2 2 331.376 1.884 20 5 EDBDLP C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C[NH3+])C1 ZINC000598913007 449644430 /nfs/dbraw/zinc/64/44/30/449644430.db2.gz DUIBGWGDSOHACE-SNVBAGLBSA-N 2 2 327.772 1.355 20 5 EDBDLP C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C[NH3+])C1 ZINC000598913007 449644436 /nfs/dbraw/zinc/64/44/36/449644436.db2.gz DUIBGWGDSOHACE-SNVBAGLBSA-N 2 2 327.772 1.355 20 5 EDBDLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000749664496 579734064 /nfs/dbraw/zinc/73/40/64/579734064.db2.gz RKMXIMVCLTVTTF-JKIFEVAISA-N 2 2 337.420 1.717 20 5 EDBDLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000749664496 579734065 /nfs/dbraw/zinc/73/40/65/579734065.db2.gz RKMXIMVCLTVTTF-JKIFEVAISA-N 2 2 337.420 1.717 20 5 EDBDLP Cc1nn(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000779866091 580500246 /nfs/dbraw/zinc/50/02/46/580500246.db2.gz SJUKSNXENFJSIY-UHFFFAOYSA-N 2 2 337.424 1.492 20 5 EDBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC([NH+]2CCCC2)C1 ZINC000898613624 591439507 /nfs/dbraw/zinc/43/95/07/591439507.db2.gz PVRLIDJBOHVVOV-UHFFFAOYSA-N 2 2 341.371 1.701 20 5 EDBDLP C[NH+](C)CC(C)(C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000839093299 593260932 /nfs/dbraw/zinc/26/09/32/593260932.db2.gz AFXVAOBQWMDNDW-UHFFFAOYSA-N 2 2 326.372 1.992 20 5 EDBDLP C[N@@H+]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C[NH3+])C1 ZINC000841856569 594966491 /nfs/dbraw/zinc/96/64/91/594966491.db2.gz SLLMBMSOMLABPN-LBPRGKRZSA-N 2 2 341.799 1.033 20 5 EDBDLP C[N@H+]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C[NH3+])C1 ZINC000841856569 594966492 /nfs/dbraw/zinc/96/64/92/594966492.db2.gz SLLMBMSOMLABPN-LBPRGKRZSA-N 2 2 341.799 1.033 20 5 EDBDLP C[NH+](C)[C@]1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCSC1 ZINC000877074743 597426742 /nfs/dbraw/zinc/42/67/42/597426742.db2.gz RKYVZNGSFUOXOD-YIZWMMSDSA-N 2 2 325.438 1.522 20 5 EDBDLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000563347911 306328696 /nfs/dbraw/zinc/32/86/96/306328696.db2.gz GDBXJMROHPEAGA-SWLSCSKDSA-N 2 2 346.387 1.158 20 5 EDBDLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000563347911 306328697 /nfs/dbraw/zinc/32/86/97/306328697.db2.gz GDBXJMROHPEAGA-SWLSCSKDSA-N 2 2 346.387 1.158 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261745242 139222488 /nfs/dbraw/zinc/22/24/88/139222488.db2.gz PQFZSHAJVCUWEK-BDJLRTHQSA-N 2 2 336.392 1.601 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261745242 139222489 /nfs/dbraw/zinc/22/24/89/139222489.db2.gz PQFZSHAJVCUWEK-BDJLRTHQSA-N 2 2 336.392 1.601 20 5 EDBDLP C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000261791543 139226337 /nfs/dbraw/zinc/22/63/37/139226337.db2.gz MANVQAVPNQXPOZ-GXTWGEPZSA-N 2 2 343.387 1.980 20 5 EDBDLP C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354984550 150064821 /nfs/dbraw/zinc/06/48/21/150064821.db2.gz NRNSHCPOEHBSHP-CYBMUJFWSA-N 2 2 349.435 1.174 20 5 EDBDLP C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354984550 150064824 /nfs/dbraw/zinc/06/48/24/150064824.db2.gz NRNSHCPOEHBSHP-CYBMUJFWSA-N 2 2 349.435 1.174 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430610701 305058862 /nfs/dbraw/zinc/05/88/62/305058862.db2.gz LKJYYLBNCBZVOI-VXGBXAGGSA-N 2 2 336.392 1.601 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430610701 305058863 /nfs/dbraw/zinc/05/88/63/305058863.db2.gz LKJYYLBNCBZVOI-VXGBXAGGSA-N 2 2 336.392 1.601 20 5 EDBDLP COc1ccc(NC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000435617892 305143482 /nfs/dbraw/zinc/14/34/82/305143482.db2.gz RAWGECKPNYWGHC-LBPRGKRZSA-N 2 2 336.392 1.616 20 5 EDBDLP COc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000435617892 305143483 /nfs/dbraw/zinc/14/34/83/305143483.db2.gz RAWGECKPNYWGHC-LBPRGKRZSA-N 2 2 336.392 1.616 20 5 EDBDLP C[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000270881008 443483199 /nfs/dbraw/zinc/48/31/99/443483199.db2.gz FEACOLCTBMZVIU-UHFFFAOYSA-N 2 2 343.387 1.947 20 5 EDBDLP C[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000270881008 443483202 /nfs/dbraw/zinc/48/32/02/443483202.db2.gz FEACOLCTBMZVIU-UHFFFAOYSA-N 2 2 343.387 1.947 20 5 EDBDLP CNC(=O)C[NH+]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000272856364 443469052 /nfs/dbraw/zinc/46/90/52/443469052.db2.gz PQHRKFCDCYOKTO-UHFFFAOYSA-N 2 2 343.387 1.319 20 5 EDBDLP C[NH+](C)[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000619152436 450417402 /nfs/dbraw/zinc/41/74/02/450417402.db2.gz DKTRQCQBSLEZHI-HNNXBMFYSA-N 2 2 334.420 1.567 20 5 EDBDLP Cc1c(C[N@@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000363492312 445829872 /nfs/dbraw/zinc/82/98/72/445829872.db2.gz AXDOKXRERYPTLZ-KRWDZBQOSA-N 2 2 348.447 1.351 20 5 EDBDLP Cc1c(C[N@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000363492312 445829874 /nfs/dbraw/zinc/82/98/74/445829874.db2.gz AXDOKXRERYPTLZ-KRWDZBQOSA-N 2 2 348.447 1.351 20 5 EDBDLP COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000351500766 446106046 /nfs/dbraw/zinc/10/60/46/446106046.db2.gz XJFTWELAEYGRER-CYZMBNFOSA-N 2 2 334.376 1.211 20 5 EDBDLP COc1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000351500766 446106052 /nfs/dbraw/zinc/10/60/52/446106052.db2.gz XJFTWELAEYGRER-CYZMBNFOSA-N 2 2 334.376 1.211 20 5 EDBDLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430566629 447780725 /nfs/dbraw/zinc/78/07/25/447780725.db2.gz HGOWQMHNGLBQLV-ZDUSSCGKSA-N 2 2 334.376 1.577 20 5 EDBDLP C[NH2+]C[C@@H]1CCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430566629 447780730 /nfs/dbraw/zinc/78/07/30/447780730.db2.gz HGOWQMHNGLBQLV-ZDUSSCGKSA-N 2 2 334.376 1.577 20 5 EDBDLP COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC000591449304 448368121 /nfs/dbraw/zinc/36/81/21/448368121.db2.gz UTGBDQUXGIDRMA-WFASDCNBSA-N 2 2 348.403 1.616 20 5 EDBDLP COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC000591449304 448368123 /nfs/dbraw/zinc/36/81/23/448368123.db2.gz UTGBDQUXGIDRMA-WFASDCNBSA-N 2 2 348.403 1.616 20 5 EDBDLP CC[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@@H]1[NH3+] ZINC000592488655 448859354 /nfs/dbraw/zinc/85/93/54/448859354.db2.gz KREGSOQPJAQJJL-KCXAZCMYSA-N 2 2 332.404 1.759 20 5 EDBDLP CC[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@@H]1[NH3+] ZINC000592488655 448859356 /nfs/dbraw/zinc/85/93/56/448859356.db2.gz KREGSOQPJAQJJL-KCXAZCMYSA-N 2 2 332.404 1.759 20 5 EDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000597990231 449174588 /nfs/dbraw/zinc/17/45/88/449174588.db2.gz SKJPWBZHZLDZTN-UHFFFAOYSA-N 2 2 326.372 1.347 20 5 EDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000597990231 449174591 /nfs/dbraw/zinc/17/45/91/449174591.db2.gz SKJPWBZHZLDZTN-UHFFFAOYSA-N 2 2 326.372 1.347 20 5 EDBDLP Cc1ccc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000600768864 449540541 /nfs/dbraw/zinc/54/05/41/449540541.db2.gz HFQLFAXSTKGEKH-UHFFFAOYSA-N 2 2 347.419 1.046 20 5 EDBDLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000601335681 449844799 /nfs/dbraw/zinc/84/47/99/449844799.db2.gz WXCWWDWMBNYTPF-GOEBONIOSA-N 2 2 344.415 1.558 20 5 EDBDLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000601335681 449844804 /nfs/dbraw/zinc/84/48/04/449844804.db2.gz WXCWWDWMBNYTPF-GOEBONIOSA-N 2 2 344.415 1.558 20 5 EDBDLP O=C(N[C@@H]1CCC[NH2+]CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000368720437 491003558 /nfs/dbraw/zinc/00/35/58/491003558.db2.gz YJOFQXHQWBUGHL-CYBMUJFWSA-N 2 2 329.360 1.652 20 5 EDBDLP Cc1nc(N2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000183771858 534756990 /nfs/dbraw/zinc/75/69/90/534756990.db2.gz MKNSMJXOVRRAMM-UHFFFAOYSA-N 2 2 343.387 1.894 20 5 EDBDLP Cc1nn(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000755792782 579935447 /nfs/dbraw/zinc/93/54/47/579935447.db2.gz WUNQKPTXXCQHNA-LBPRGKRZSA-N 2 2 341.375 1.828 20 5 EDBDLP Cc1nn(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000755792782 579935448 /nfs/dbraw/zinc/93/54/48/579935448.db2.gz WUNQKPTXXCQHNA-LBPRGKRZSA-N 2 2 341.375 1.828 20 5 EDBDLP CC[NH+]1CCC([N@@H+]2CCCN(Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000817374069 593598204 /nfs/dbraw/zinc/59/82/04/593598204.db2.gz VPKPDEIGHUDCME-UHFFFAOYSA-N 2 2 336.440 1.241 20 5 EDBDLP CC[NH+]1CCC([N@H+]2CCCN(Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000817374069 593598206 /nfs/dbraw/zinc/59/82/06/593598206.db2.gz VPKPDEIGHUDCME-UHFFFAOYSA-N 2 2 336.440 1.241 20 5 EDBDLP CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000412835832 304039217 /nfs/dbraw/zinc/03/92/17/304039217.db2.gz GDDOTFAQQSNHIL-ZDUSSCGKSA-N 2 2 329.360 1.605 20 5 EDBDLP CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000412835832 304039220 /nfs/dbraw/zinc/03/92/20/304039220.db2.gz GDDOTFAQQSNHIL-ZDUSSCGKSA-N 2 2 329.360 1.605 20 5 EDBDLP NC(=O)c1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c([N+](=O)[O-])c1 ZINC000363256395 283376541 /nfs/dbraw/zinc/37/65/41/283376541.db2.gz KDGLABMFHDQVOH-PMPSAXMXSA-N 2 2 344.415 1.610 20 5 EDBDLP NC(=O)c1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c([N+](=O)[O-])c1 ZINC000363256395 283376542 /nfs/dbraw/zinc/37/65/42/283376542.db2.gz KDGLABMFHDQVOH-PMPSAXMXSA-N 2 2 344.415 1.610 20 5 EDBDLP NC(=O)c1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c([N+](=O)[O-])c1 ZINC000363256395 283376543 /nfs/dbraw/zinc/37/65/43/283376543.db2.gz KDGLABMFHDQVOH-PMPSAXMXSA-N 2 2 344.415 1.610 20 5 EDBDLP NC(=O)c1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c([N+](=O)[O-])c1 ZINC000363256395 283376544 /nfs/dbraw/zinc/37/65/44/283376544.db2.gz KDGLABMFHDQVOH-PMPSAXMXSA-N 2 2 344.415 1.610 20 5 EDBDLP O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000129613683 223074833 /nfs/dbraw/zinc/07/48/33/223074833.db2.gz XWYFEHHUQBNWBS-HNNXBMFYSA-N 2 2 335.404 1.628 20 5 EDBDLP O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000129613683 223074835 /nfs/dbraw/zinc/07/48/35/223074835.db2.gz XWYFEHHUQBNWBS-HNNXBMFYSA-N 2 2 335.404 1.628 20 5 EDBDLP COc1cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)c([N+](=O)[O-])cc1OC ZINC000415030940 304152517 /nfs/dbraw/zinc/15/25/17/304152517.db2.gz DETIHFKBHLKLEP-GFCCVEGCSA-N 2 2 325.365 1.080 20 5 EDBDLP COc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])cc1OC ZINC000494433738 255250742 /nfs/dbraw/zinc/25/07/42/255250742.db2.gz DXWVOOSYDPQITG-GFCCVEGCSA-N 2 2 332.360 1.913 20 5 EDBDLP Cc1[nH+]cc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1C ZINC000574053330 306642067 /nfs/dbraw/zinc/64/20/67/306642067.db2.gz CIEPRUMYAFLHSU-UHFFFAOYSA-N 2 2 338.389 1.200 20 5 EDBDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000123334666 222258024 /nfs/dbraw/zinc/25/80/24/222258024.db2.gz HCHKIESEWCFPQD-CJNGLKHVSA-N 2 2 334.420 1.972 20 5 EDBDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123334666 222258027 /nfs/dbraw/zinc/25/80/27/222258027.db2.gz HCHKIESEWCFPQD-CJNGLKHVSA-N 2 2 334.420 1.972 20 5 EDBDLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000123334666 222258029 /nfs/dbraw/zinc/25/80/29/222258029.db2.gz HCHKIESEWCFPQD-CJNGLKHVSA-N 2 2 334.420 1.972 20 5 EDBDLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000123334666 222258031 /nfs/dbraw/zinc/25/80/31/222258031.db2.gz HCHKIESEWCFPQD-CJNGLKHVSA-N 2 2 334.420 1.972 20 5 EDBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000536069267 306019470 /nfs/dbraw/zinc/01/94/70/306019470.db2.gz YIIBCZBWZSFOLM-HIFRSBDPSA-N 2 2 346.387 1.558 20 5 EDBDLP C[C@@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000555312979 306201189 /nfs/dbraw/zinc/20/11/89/306201189.db2.gz YBXNUEKGBWROFO-CQSZACIVSA-N 2 2 348.447 1.841 20 5 EDBDLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414959445 447374577 /nfs/dbraw/zinc/37/45/77/447374577.db2.gz FOFDJTVVCDXCEG-HNNXBMFYSA-N 2 2 330.388 1.848 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266752226 443229455 /nfs/dbraw/zinc/22/94/55/443229455.db2.gz OHCNLPDNMDARRF-HNNXBMFYSA-N 2 2 346.387 1.937 20 5 EDBDLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000449744980 320204051 /nfs/dbraw/zinc/20/40/51/320204051.db2.gz KNFUQLIIWMGWOZ-UHFFFAOYSA-N 2 2 336.436 1.806 20 5 EDBDLP CN(CC[NH+]1CCCC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000343430279 445221408 /nfs/dbraw/zinc/22/14/08/445221408.db2.gz AZOZIBAUHFWXRQ-UHFFFAOYSA-N 2 2 343.387 1.948 20 5 EDBDLP CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351862454 445346551 /nfs/dbraw/zinc/34/65/51/445346551.db2.gz PAKQUUAPMIRBQJ-NWDGAFQWSA-N 2 2 336.392 1.601 20 5 EDBDLP CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351862454 445346553 /nfs/dbraw/zinc/34/65/53/445346553.db2.gz PAKQUUAPMIRBQJ-NWDGAFQWSA-N 2 2 336.392 1.601 20 5 EDBDLP O=C1[C@H]([N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000357070328 445406056 /nfs/dbraw/zinc/40/60/56/445406056.db2.gz ATINOBDPSOFFNZ-XJKCOSOUSA-N 2 2 330.388 1.241 20 5 EDBDLP O=C1[C@H]([N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000357070328 445406060 /nfs/dbraw/zinc/40/60/60/445406060.db2.gz ATINOBDPSOFFNZ-XJKCOSOUSA-N 2 2 330.388 1.241 20 5 EDBDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000362824721 445567234 /nfs/dbraw/zinc/56/72/34/445567234.db2.gz BKBFFDSZNPZAGP-MRXNPFEDSA-N 2 2 332.404 1.034 20 5 EDBDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000362824721 445567236 /nfs/dbraw/zinc/56/72/36/445567236.db2.gz BKBFFDSZNPZAGP-MRXNPFEDSA-N 2 2 332.404 1.034 20 5 EDBDLP Cn1ccnc1[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000353435588 445600537 /nfs/dbraw/zinc/60/05/37/445600537.db2.gz MMUIVJVXLAQCJN-HNNXBMFYSA-N 2 2 326.360 1.904 20 5 EDBDLP CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000359201861 446030162 /nfs/dbraw/zinc/03/01/62/446030162.db2.gz BCYNWRVPJJSQDJ-CQSZACIVSA-N 2 2 343.387 1.995 20 5 EDBDLP C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[N@H+](C)Cc1ccccc1 ZINC000390633263 447497143 /nfs/dbraw/zinc/49/71/43/447497143.db2.gz AYCHVQDYEHIZAA-RHSMWYFYSA-N 2 2 347.419 1.262 20 5 EDBDLP C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[N@@H+](C)Cc1ccccc1 ZINC000390633263 447497149 /nfs/dbraw/zinc/49/71/49/447497149.db2.gz AYCHVQDYEHIZAA-RHSMWYFYSA-N 2 2 347.419 1.262 20 5 EDBDLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000591749487 448479821 /nfs/dbraw/zinc/47/98/21/448479821.db2.gz ZNLHRAYWGSPWGA-XJKCOSOUSA-N 2 2 335.404 1.549 20 5 EDBDLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000591749487 448479828 /nfs/dbraw/zinc/47/98/28/448479828.db2.gz ZNLHRAYWGSPWGA-XJKCOSOUSA-N 2 2 335.404 1.549 20 5 EDBDLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000591744674 448480765 /nfs/dbraw/zinc/48/07/65/448480765.db2.gz WUMBVBPRROOEDF-FMKPAKJESA-N 2 2 337.420 1.197 20 5 EDBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000592246946 448761712 /nfs/dbraw/zinc/76/17/12/448761712.db2.gz MZABNXLSIZFKFE-JSGCOSHPSA-N 2 2 341.371 1.605 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593736931 449171976 /nfs/dbraw/zinc/17/19/76/449171976.db2.gz OHLGFFWZNVDJGI-GUYCJALGSA-N 2 2 332.404 1.903 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593736931 449171979 /nfs/dbraw/zinc/17/19/79/449171979.db2.gz OHLGFFWZNVDJGI-GUYCJALGSA-N 2 2 332.404 1.903 20 5 EDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593736282 449170427 /nfs/dbraw/zinc/17/04/27/449170427.db2.gz LNNPHDXGZJUHTR-DCGLDWPTSA-N 2 2 332.404 1.983 20 5 EDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593736282 449170430 /nfs/dbraw/zinc/17/04/30/449170430.db2.gz LNNPHDXGZJUHTR-DCGLDWPTSA-N 2 2 332.404 1.983 20 5 EDBDLP [NH3+]CC12CC(C1)C[N@@H+]2CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000595908398 449246611 /nfs/dbraw/zinc/24/66/11/449246611.db2.gz HYDZSDBDGYNNOG-UHFFFAOYSA-N 2 2 332.360 1.316 20 5 EDBDLP [NH3+]CC12CC(C1)C[N@H+]2CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000595908398 449246615 /nfs/dbraw/zinc/24/66/15/449246615.db2.gz HYDZSDBDGYNNOG-UHFFFAOYSA-N 2 2 332.360 1.316 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000600755331 449535191 /nfs/dbraw/zinc/53/51/91/449535191.db2.gz JKRHCCZYBQVXND-IRXDYDNUSA-N 2 2 349.431 1.941 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000600755331 449535194 /nfs/dbraw/zinc/53/51/94/449535194.db2.gz JKRHCCZYBQVXND-IRXDYDNUSA-N 2 2 349.431 1.941 20 5 EDBDLP C[NH2+]CCOCC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000600724559 449519305 /nfs/dbraw/zinc/51/93/05/449519305.db2.gz BBBIPSBBZYYYKY-UHFFFAOYSA-N 2 2 335.364 1.313 20 5 EDBDLP C[NH2+]CCOCC[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000600724559 449519313 /nfs/dbraw/zinc/51/93/13/449519313.db2.gz BBBIPSBBZYYYKY-UHFFFAOYSA-N 2 2 335.364 1.313 20 5 EDBDLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000602527840 449651941 /nfs/dbraw/zinc/65/19/41/449651941.db2.gz MKDLQYADNHNHNU-INIZCTEOSA-N 2 2 343.387 1.851 20 5 EDBDLP Cn1cc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599010701 449697958 /nfs/dbraw/zinc/69/79/58/449697958.db2.gz VTAFDBIVLNUWEQ-MRXNPFEDSA-N 2 2 345.403 1.152 20 5 EDBDLP CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609559188 450051857 /nfs/dbraw/zinc/05/18/57/450051857.db2.gz AJVFVBNKCXIPKM-AWEZNQCLSA-N 2 2 349.435 1.174 20 5 EDBDLP CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609559188 450051860 /nfs/dbraw/zinc/05/18/60/450051860.db2.gz AJVFVBNKCXIPKM-AWEZNQCLSA-N 2 2 349.435 1.174 20 5 EDBDLP O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000743273306 579474934 /nfs/dbraw/zinc/47/49/34/579474934.db2.gz OYUXSXZXQZCSMI-INIZCTEOSA-N 2 2 349.431 1.895 20 5 EDBDLP CC1([NH+]2CCOCC2)CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000859777739 596194873 /nfs/dbraw/zinc/19/48/73/596194873.db2.gz XBVBHDAWGZRPKN-KRWDZBQOSA-N 2 2 349.431 1.815 20 5 EDBDLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997413866 703668691 /nfs/dbraw/zinc/66/86/91/703668691.db2.gz RPWXUNFRMUMSTB-UHFFFAOYSA-N 2 2 343.387 1.572 20 5 EDBDLP Cn1cc(C[NH2+]C[C@H]2C[NH2+]CCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415093163 304159243 /nfs/dbraw/zinc/15/92/43/304159243.db2.gz HOQWVAQYFRFTMU-OAHLLOKOSA-N 2 2 331.376 1.073 20 5 EDBDLP C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000332435129 141181672 /nfs/dbraw/zinc/18/16/72/141181672.db2.gz GMUUPKGKXWMKAD-LBPRGKRZSA-N 2 2 329.360 1.557 20 5 EDBDLP C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000332435129 141181673 /nfs/dbraw/zinc/18/16/73/141181673.db2.gz GMUUPKGKXWMKAD-LBPRGKRZSA-N 2 2 329.360 1.557 20 5 EDBDLP C[NH2+]C[C@@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420127069 277275945 /nfs/dbraw/zinc/27/59/45/277275945.db2.gz REAMMGTXZJPKKI-INIZCTEOSA-N 2 2 348.447 1.863 20 5 EDBDLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000295664369 303249252 /nfs/dbraw/zinc/24/92/52/303249252.db2.gz AQWXFPIRSYGEAF-ZDUSSCGKSA-N 2 2 346.391 1.406 20 5 EDBDLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000295664369 303249253 /nfs/dbraw/zinc/24/92/53/303249253.db2.gz AQWXFPIRSYGEAF-ZDUSSCGKSA-N 2 2 346.391 1.406 20 5 EDBDLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000430567726 305056238 /nfs/dbraw/zinc/05/62/38/305056238.db2.gz GDBSRAQHMSYCEJ-JSGCOSHPSA-N 2 2 332.404 1.543 20 5 EDBDLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000430567726 305056239 /nfs/dbraw/zinc/05/62/39/305056239.db2.gz GDBSRAQHMSYCEJ-JSGCOSHPSA-N 2 2 332.404 1.543 20 5 EDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000449119990 305307200 /nfs/dbraw/zinc/30/72/00/305307200.db2.gz BOZXIQZRJLFDCC-CJNGLKHVSA-N 2 2 334.420 1.455 20 5 EDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000449119990 305307201 /nfs/dbraw/zinc/30/72/01/305307201.db2.gz BOZXIQZRJLFDCC-CJNGLKHVSA-N 2 2 334.420 1.455 20 5 EDBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[NH+]2CCC1CC2 ZINC000188854113 442827986 /nfs/dbraw/zinc/82/79/86/442827986.db2.gz AELIBIWSGCJJGF-UHFFFAOYSA-N 2 2 341.371 1.701 20 5 EDBDLP CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000301561715 444179954 /nfs/dbraw/zinc/17/99/54/444179954.db2.gz UMSBWXRIUDGXAY-UHFFFAOYSA-N 2 2 349.435 1.392 20 5 EDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000420231452 447679828 /nfs/dbraw/zinc/67/98/28/447679828.db2.gz RTTRWNXRHGSTEK-SFHVURJKSA-N 2 2 346.431 1.617 20 5 EDBDLP O=C(CC[NH2+][C@H]1CC[N@H+](CC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000591735084 448476350 /nfs/dbraw/zinc/47/63/50/448476350.db2.gz QATBGGHGQTZQAL-AWEZNQCLSA-N 2 2 332.404 1.997 20 5 EDBDLP O=C(CC[NH2+][C@H]1CC[N@@H+](CC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000591735084 448476358 /nfs/dbraw/zinc/47/63/58/448476358.db2.gz QATBGGHGQTZQAL-AWEZNQCLSA-N 2 2 332.404 1.997 20 5 EDBDLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591742890 448479477 /nfs/dbraw/zinc/47/94/77/448479477.db2.gz QRZOMHOLNGLWMU-CABCVRRESA-N 2 2 337.420 1.799 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000573111356 448546158 /nfs/dbraw/zinc/54/61/58/448546158.db2.gz APMVSEQLHDYJRU-NWDGAFQWSA-N 2 2 332.360 1.205 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000573111356 448546166 /nfs/dbraw/zinc/54/61/66/448546166.db2.gz APMVSEQLHDYJRU-NWDGAFQWSA-N 2 2 332.360 1.205 20 5 EDBDLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000597946607 449155496 /nfs/dbraw/zinc/15/54/96/449155496.db2.gz QMBIZAVZETXXOV-CQSZACIVSA-N 2 2 343.387 1.947 20 5 EDBDLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000597946607 449155501 /nfs/dbraw/zinc/15/55/01/449155501.db2.gz QMBIZAVZETXXOV-CQSZACIVSA-N 2 2 343.387 1.947 20 5 EDBDLP Cc1c(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000597989874 449174785 /nfs/dbraw/zinc/17/47/85/449174785.db2.gz LHEOACDEYCPCTD-UHFFFAOYSA-N 2 2 336.436 1.445 20 5 EDBDLP Cc1c(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000597989874 449174791 /nfs/dbraw/zinc/17/47/91/449174791.db2.gz LHEOACDEYCPCTD-UHFFFAOYSA-N 2 2 336.436 1.445 20 5 EDBDLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000593314221 449223100 /nfs/dbraw/zinc/22/31/00/449223100.db2.gz AQPVACVNIXEOFJ-GUYCJALGSA-N 2 2 333.388 1.927 20 5 EDBDLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000593314221 449223105 /nfs/dbraw/zinc/22/31/05/449223105.db2.gz AQPVACVNIXEOFJ-GUYCJALGSA-N 2 2 333.388 1.927 20 5 EDBDLP CC[C@@H]1[NH2+]CC[C@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000600951461 449612847 /nfs/dbraw/zinc/61/28/47/449612847.db2.gz JEAXQIFPBNZFTK-LSDHHAIUSA-N 2 2 334.420 1.979 20 5 EDBDLP C[C@H]1CC[N@H+](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602592357 449692113 /nfs/dbraw/zinc/69/21/13/449692113.db2.gz DHKANXYSOZCPAT-AWEZNQCLSA-N 2 2 333.436 1.890 20 5 EDBDLP C[C@H]1CC[N@@H+](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602592357 449692121 /nfs/dbraw/zinc/69/21/21/449692121.db2.gz DHKANXYSOZCPAT-AWEZNQCLSA-N 2 2 333.436 1.890 20 5 EDBDLP CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609559653 450051910 /nfs/dbraw/zinc/05/19/10/450051910.db2.gz MBJAXDVNPISMQE-CYBMUJFWSA-N 2 2 335.408 1.163 20 5 EDBDLP CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609559653 450051913 /nfs/dbraw/zinc/05/19/13/450051913.db2.gz MBJAXDVNPISMQE-CYBMUJFWSA-N 2 2 335.408 1.163 20 5 EDBDLP C[NH+](C)[C@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000615996166 450294759 /nfs/dbraw/zinc/29/47/59/450294759.db2.gz PLKVUNSJAMIMJC-INIZCTEOSA-N 2 2 348.447 1.957 20 5 EDBDLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843346201 595081375 /nfs/dbraw/zinc/08/13/75/595081375.db2.gz FDLORNLJYHGQIA-SNVBAGLBSA-N 2 2 326.784 1.857 20 5 EDBDLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843346201 595081379 /nfs/dbraw/zinc/08/13/79/595081379.db2.gz FDLORNLJYHGQIA-SNVBAGLBSA-N 2 2 326.784 1.857 20 5 EDBDLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000104067459 138299609 /nfs/dbraw/zinc/29/96/09/138299609.db2.gz OBKZROTVGQHMHZ-INIZCTEOSA-N 2 2 332.404 1.509 20 5 EDBDLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000262034447 139245426 /nfs/dbraw/zinc/24/54/26/139245426.db2.gz OKDIIOFTTQPNIC-AWEZNQCLSA-N 2 2 338.383 1.553 20 5 EDBDLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000262034447 139245427 /nfs/dbraw/zinc/24/54/27/139245427.db2.gz OKDIIOFTTQPNIC-AWEZNQCLSA-N 2 2 338.383 1.553 20 5 EDBDLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000262074186 139248778 /nfs/dbraw/zinc/24/87/78/139248778.db2.gz SICXLMRGDKNWHE-LBPRGKRZSA-N 2 2 326.422 1.476 20 5 EDBDLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000262074186 139248779 /nfs/dbraw/zinc/24/87/79/139248779.db2.gz SICXLMRGDKNWHE-LBPRGKRZSA-N 2 2 326.422 1.476 20 5 EDBDLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000332444296 141182889 /nfs/dbraw/zinc/18/28/89/141182889.db2.gz JKVFQPIAZMMHBL-OLZOCXBDSA-N 2 2 343.387 1.945 20 5 EDBDLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000332444296 141182891 /nfs/dbraw/zinc/18/28/91/141182891.db2.gz JKVFQPIAZMMHBL-OLZOCXBDSA-N 2 2 343.387 1.945 20 5 EDBDLP CC(C)[NH+]1CC(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000275208790 268299546 /nfs/dbraw/zinc/29/95/46/268299546.db2.gz IULBYBKAROQPNO-UHFFFAOYSA-N 2 2 329.360 1.603 20 5 EDBDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284146971 274096171 /nfs/dbraw/zinc/09/61/71/274096171.db2.gz PBQDBOPVCYZOHM-FZMZJTMJSA-N 2 2 335.408 1.167 20 5 EDBDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284146971 274096173 /nfs/dbraw/zinc/09/61/73/274096173.db2.gz PBQDBOPVCYZOHM-FZMZJTMJSA-N 2 2 335.408 1.167 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430610698 305058772 /nfs/dbraw/zinc/05/87/72/305058772.db2.gz LKJYYLBNCBZVOI-NEPJUHHUSA-N 2 2 336.392 1.601 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430610698 305058773 /nfs/dbraw/zinc/05/87/73/305058773.db2.gz LKJYYLBNCBZVOI-NEPJUHHUSA-N 2 2 336.392 1.601 20 5 EDBDLP O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435617130 305143456 /nfs/dbraw/zinc/14/34/56/305143456.db2.gz MQAAOBKDQQUINN-INIZCTEOSA-N 2 2 344.419 1.831 20 5 EDBDLP O=[N+]([O-])c1cnn(CC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435617130 305143457 /nfs/dbraw/zinc/14/34/57/305143457.db2.gz MQAAOBKDQQUINN-INIZCTEOSA-N 2 2 344.419 1.831 20 5 EDBDLP C[C@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000555312975 306201185 /nfs/dbraw/zinc/20/11/85/306201185.db2.gz YBXNUEKGBWROFO-AWEZNQCLSA-N 2 2 348.447 1.841 20 5 EDBDLP C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000109849348 441510332 /nfs/dbraw/zinc/51/03/32/441510332.db2.gz XMYKYGCERZREOY-LBPRGKRZSA-N 2 2 329.360 1.462 20 5 EDBDLP C[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000109849348 441510335 /nfs/dbraw/zinc/51/03/35/441510335.db2.gz XMYKYGCERZREOY-LBPRGKRZSA-N 2 2 329.360 1.462 20 5 EDBDLP Cc1[nH+]ccn1CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000077120901 441719900 /nfs/dbraw/zinc/71/99/00/441719900.db2.gz ARNJVXVGEHBOJK-UHFFFAOYSA-N 2 2 343.387 1.558 20 5 EDBDLP C[NH+](C)C1CC[NH+](CCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000177136236 442303328 /nfs/dbraw/zinc/30/33/28/442303328.db2.gz LUJYRMHHOCIDAD-UHFFFAOYSA-N 2 2 349.435 1.149 20 5 EDBDLP C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000193496561 442748834 /nfs/dbraw/zinc/74/88/34/442748834.db2.gz QPLQTLYRLVHXTR-DGCLKSJQSA-N 2 2 329.360 1.651 20 5 EDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342153937 444538017 /nfs/dbraw/zinc/53/80/17/444538017.db2.gz ISAMWGACZCAKCZ-XJFOESAGSA-N 2 2 332.404 1.981 20 5 EDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342153937 444538020 /nfs/dbraw/zinc/53/80/20/444538020.db2.gz ISAMWGACZCAKCZ-XJFOESAGSA-N 2 2 332.404 1.981 20 5 EDBDLP C[NH+](C)CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000356292610 445721584 /nfs/dbraw/zinc/72/15/84/445721584.db2.gz QTEWSDHFPZDJRB-UHFFFAOYSA-N 2 2 343.387 1.947 20 5 EDBDLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)nn1 ZINC000420390233 446564821 /nfs/dbraw/zinc/56/48/21/446564821.db2.gz ZBOYCOMQIGJKHV-GFCCVEGCSA-N 2 2 334.355 1.621 20 5 EDBDLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)nn1 ZINC000420390233 446564830 /nfs/dbraw/zinc/56/48/30/446564830.db2.gz ZBOYCOMQIGJKHV-GFCCVEGCSA-N 2 2 334.355 1.621 20 5 EDBDLP C[C@@H](CC[NH+](C)C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000519502042 448773796 /nfs/dbraw/zinc/77/37/96/448773796.db2.gz KNMMJRSENALQSC-LBPRGKRZSA-N 2 2 329.422 1.298 20 5 EDBDLP C[NH+](C)C[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000590140627 449111656 /nfs/dbraw/zinc/11/16/56/449111656.db2.gz OLKVEHYTODWMRL-MRXNPFEDSA-N 2 2 348.447 1.815 20 5 EDBDLP C[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1CC[NH3+] ZINC000593735724 449170448 /nfs/dbraw/zinc/17/04/48/449170448.db2.gz ZKGSYOZAWFBZFB-CJNGLKHVSA-N 2 2 346.431 1.933 20 5 EDBDLP C[C@@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1CC[NH3+] ZINC000593735724 449170451 /nfs/dbraw/zinc/17/04/51/449170451.db2.gz ZKGSYOZAWFBZFB-CJNGLKHVSA-N 2 2 346.431 1.933 20 5 EDBDLP C[NH+]1CCN(CCCC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602510088 449638582 /nfs/dbraw/zinc/63/85/82/449638582.db2.gz JKIKRVKRPXXXEY-UHFFFAOYSA-N 2 2 347.419 1.853 20 5 EDBDLP C[C@@H]1CC[N@H+](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602592359 449692452 /nfs/dbraw/zinc/69/24/52/449692452.db2.gz DHKANXYSOZCPAT-CQSZACIVSA-N 2 2 333.436 1.890 20 5 EDBDLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602592359 449692458 /nfs/dbraw/zinc/69/24/58/449692458.db2.gz DHKANXYSOZCPAT-CQSZACIVSA-N 2 2 333.436 1.890 20 5 EDBDLP C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000595228722 449959981 /nfs/dbraw/zinc/95/99/81/449959981.db2.gz ISIYMFFEZNQKIS-YPMHNXCESA-N 2 2 329.360 1.590 20 5 EDBDLP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000597701406 450206519 /nfs/dbraw/zinc/20/65/19/450206519.db2.gz SNQSPCWHMJLGBR-JSGCOSHPSA-N 2 2 343.387 1.945 20 5 EDBDLP C[NH2+][C@@H](C)Cc1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000261878194 536346279 /nfs/dbraw/zinc/34/62/79/536346279.db2.gz VZSCFIHDWAZUFS-JTQLQIEISA-N 2 2 328.332 1.981 20 5 EDBDLP Cc1cc(F)cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000855414404 595704494 /nfs/dbraw/zinc/70/44/94/595704494.db2.gz CTNRNRAESYNKQN-UHFFFAOYSA-N 2 2 340.399 1.656 20 5 EDBDLP Cc1cc(F)cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000855414404 595704495 /nfs/dbraw/zinc/70/44/95/595704495.db2.gz CTNRNRAESYNKQN-UHFFFAOYSA-N 2 2 340.399 1.656 20 5 EDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000864091536 596752761 /nfs/dbraw/zinc/75/27/61/596752761.db2.gz ZYXOYHDNPBCUCH-HZSPNIEDSA-N 2 2 332.404 1.805 20 5 EDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000864091536 596752763 /nfs/dbraw/zinc/75/27/63/596752763.db2.gz ZYXOYHDNPBCUCH-HZSPNIEDSA-N 2 2 332.404 1.805 20 5 EDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000864091536 596752765 /nfs/dbraw/zinc/75/27/65/596752765.db2.gz ZYXOYHDNPBCUCH-HZSPNIEDSA-N 2 2 332.404 1.805 20 5 EDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000864091536 596752767 /nfs/dbraw/zinc/75/27/67/596752767.db2.gz ZYXOYHDNPBCUCH-HZSPNIEDSA-N 2 2 332.404 1.805 20 5 EDBDLP Cc1c(C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000104070287 138299521 /nfs/dbraw/zinc/29/95/21/138299521.db2.gz KSNDFRAKFXYSLX-KRWDZBQOSA-N 2 2 346.431 1.817 20 5 EDBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245420711 139073568 /nfs/dbraw/zinc/07/35/68/139073568.db2.gz HRFDXRXKYBCXBJ-WFASDCNBSA-N 2 2 334.420 1.856 20 5 EDBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245420711 139073569 /nfs/dbraw/zinc/07/35/69/139073569.db2.gz HRFDXRXKYBCXBJ-WFASDCNBSA-N 2 2 334.420 1.856 20 5 EDBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245420711 139073570 /nfs/dbraw/zinc/07/35/70/139073570.db2.gz HRFDXRXKYBCXBJ-WFASDCNBSA-N 2 2 334.420 1.856 20 5 EDBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245420711 139073571 /nfs/dbraw/zinc/07/35/71/139073571.db2.gz HRFDXRXKYBCXBJ-WFASDCNBSA-N 2 2 334.420 1.856 20 5 EDBDLP Cn1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000194539257 442912521 /nfs/dbraw/zinc/91/25/21/442912521.db2.gz YMMJCOSUDYEIKD-GASCZTMLSA-N 2 2 341.415 1.989 20 5 EDBDLP Cn1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000194539257 442912525 /nfs/dbraw/zinc/91/25/25/442912525.db2.gz YMMJCOSUDYEIKD-GASCZTMLSA-N 2 2 341.415 1.989 20 5 EDBDLP Cn1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000194539257 442912528 /nfs/dbraw/zinc/91/25/28/442912528.db2.gz YMMJCOSUDYEIKD-GASCZTMLSA-N 2 2 341.415 1.989 20 5 EDBDLP Cn1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000194539257 442912531 /nfs/dbraw/zinc/91/25/31/442912531.db2.gz YMMJCOSUDYEIKD-GASCZTMLSA-N 2 2 341.415 1.989 20 5 EDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568465154 321292210 /nfs/dbraw/zinc/29/22/10/321292210.db2.gz PQEOHKCQVSDHCY-GFCCVEGCSA-N 2 2 344.375 1.467 20 5 EDBDLP C[NH+](C)[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000580397138 322044415 /nfs/dbraw/zinc/04/44/15/322044415.db2.gz WBGKRTQQHLXCRZ-CVEARBPZSA-N 2 2 333.392 1.045 20 5 EDBDLP C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[NH+]1CCCC1 ZINC000581052128 322128481 /nfs/dbraw/zinc/12/84/81/322128481.db2.gz NHTBQPPQMXLAHI-CYBMUJFWSA-N 2 2 343.387 1.995 20 5 EDBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362827597 445569379 /nfs/dbraw/zinc/56/93/79/445569379.db2.gz AHGWMWWDXAJXKV-KBPBESRZSA-N 2 2 332.404 1.552 20 5 EDBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362827597 445569381 /nfs/dbraw/zinc/56/93/81/445569381.db2.gz AHGWMWWDXAJXKV-KBPBESRZSA-N 2 2 332.404 1.552 20 5 EDBDLP C[C@H]1C[C@@H](C[NH3+])CN1c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000420223210 447677650 /nfs/dbraw/zinc/67/76/50/447677650.db2.gz ZPKPIVSHZBPBPN-ZFWWWQNUSA-N 2 2 334.420 1.601 20 5 EDBDLP COC(=O)COc1ccc(C[NH2+]CCc2cn(C)c[nH+]2)cc1[N+](=O)[O-] ZINC000459652009 447733328 /nfs/dbraw/zinc/73/33/28/447733328.db2.gz BOLGWSVWXWIVKD-UHFFFAOYSA-N 2 2 348.359 1.212 20 5 EDBDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000596360354 449482177 /nfs/dbraw/zinc/48/21/77/449482177.db2.gz JTDJJSYAXRPJGI-LBPRGKRZSA-N 2 2 334.424 1.577 20 5 EDBDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000596360354 449482179 /nfs/dbraw/zinc/48/21/79/449482179.db2.gz JTDJJSYAXRPJGI-LBPRGKRZSA-N 2 2 334.424 1.577 20 5 EDBDLP Cn1ccnc1[C@H]([NH2+]CCOCCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000600710545 449509128 /nfs/dbraw/zinc/50/91/28/449509128.db2.gz OMLULZNBOWXIRY-OAHLLOKOSA-N 2 2 333.392 1.373 20 5 EDBDLP COc1ccc(OCC[NH+]2CCC([NH2+]CCO)CC2)c([N+](=O)[O-])c1 ZINC000601328624 449836479 /nfs/dbraw/zinc/83/64/79/449836479.db2.gz UVOYYOFEHUKAEC-UHFFFAOYSA-N 2 2 339.392 1.029 20 5 EDBDLP CC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000602950810 449952907 /nfs/dbraw/zinc/95/29/07/449952907.db2.gz NOEWOGYOQLXITN-OAHLLOKOSA-N 2 2 337.424 1.103 20 5 EDBDLP [NH3+][C@@H]1CC[C@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000900403746 592008963 /nfs/dbraw/zinc/00/89/63/592008963.db2.gz WTPXNYKUFMJFJB-DZGCQCFKSA-N 2 2 334.420 1.966 20 5 EDBDLP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903865968 592341448 /nfs/dbraw/zinc/34/14/48/592341448.db2.gz FVLMHIFLSMCKGC-QGZVFWFLSA-N 2 2 346.387 1.721 20 5 EDBDLP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903865968 592341453 /nfs/dbraw/zinc/34/14/53/592341453.db2.gz FVLMHIFLSMCKGC-QGZVFWFLSA-N 2 2 346.387 1.721 20 5 EDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000846875377 595330594 /nfs/dbraw/zinc/33/05/94/595330594.db2.gz GFUNBYZTIFZBCR-UHFFFAOYSA-N 2 2 332.320 1.548 20 5 EDBDLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000879580270 597642211 /nfs/dbraw/zinc/64/22/11/597642211.db2.gz GNANREPEAALKPB-QLFBSQMISA-N 2 2 335.404 1.361 20 5 EDBDLP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000879580270 597642215 /nfs/dbraw/zinc/64/22/15/597642215.db2.gz GNANREPEAALKPB-QLFBSQMISA-N 2 2 335.404 1.361 20 5 EDBDLP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000879580270 597642218 /nfs/dbraw/zinc/64/22/18/597642218.db2.gz GNANREPEAALKPB-QLFBSQMISA-N 2 2 335.404 1.361 20 5 EDBDLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000879580270 597642220 /nfs/dbraw/zinc/64/22/20/597642220.db2.gz GNANREPEAALKPB-QLFBSQMISA-N 2 2 335.404 1.361 20 5 EDBDLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)nn1 ZINC000415139560 304163658 /nfs/dbraw/zinc/16/36/58/304163658.db2.gz ZXBJDTFHEAWSKO-AWEZNQCLSA-N 2 2 334.355 1.621 20 5 EDBDLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)nn1 ZINC000415139560 304163660 /nfs/dbraw/zinc/16/36/60/304163660.db2.gz ZXBJDTFHEAWSKO-AWEZNQCLSA-N 2 2 334.355 1.621 20 5 EDBDLP CC(C)c1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000347037007 143274648 /nfs/dbraw/zinc/27/46/48/143274648.db2.gz FLFQYWQEWRJFHL-UHFFFAOYSA-N 2 2 334.420 1.582 20 5 EDBDLP CC(C)c1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000347037007 143274649 /nfs/dbraw/zinc/27/46/49/143274649.db2.gz FLFQYWQEWRJFHL-UHFFFAOYSA-N 2 2 334.420 1.582 20 5 EDBDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000358128752 151282031 /nfs/dbraw/zinc/28/20/31/151282031.db2.gz COXIZBOBWIXQCI-INIZCTEOSA-N 2 2 348.428 1.875 20 5 EDBDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000358128752 151282034 /nfs/dbraw/zinc/28/20/34/151282034.db2.gz COXIZBOBWIXQCI-INIZCTEOSA-N 2 2 348.428 1.875 20 5 EDBDLP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000369384601 155007219 /nfs/dbraw/zinc/00/72/19/155007219.db2.gz SNUGLYUWDQVMIT-MRXNPFEDSA-N 2 2 349.431 1.895 20 5 EDBDLP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000369384601 155007220 /nfs/dbraw/zinc/00/72/20/155007220.db2.gz SNUGLYUWDQVMIT-MRXNPFEDSA-N 2 2 349.431 1.895 20 5 EDBDLP [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C[C@@H]12 ZINC000185088439 443134025 /nfs/dbraw/zinc/13/40/25/443134025.db2.gz RHNDIZXGWGGUBL-BFHYXJOUSA-N 2 2 341.371 1.590 20 5 EDBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576696100 321587845 /nfs/dbraw/zinc/58/78/45/321587845.db2.gz CPTNJVXBJUWVTG-LBPRGKRZSA-N 2 2 338.389 1.243 20 5 EDBDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000581662616 322205530 /nfs/dbraw/zinc/20/55/30/322205530.db2.gz PIWONLQIUXTURQ-SWLSCSKDSA-N 2 2 332.404 1.996 20 5 EDBDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000581662616 322205532 /nfs/dbraw/zinc/20/55/32/322205532.db2.gz PIWONLQIUXTURQ-SWLSCSKDSA-N 2 2 332.404 1.996 20 5 EDBDLP Cc1cnc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000354740308 445359694 /nfs/dbraw/zinc/35/96/94/445359694.db2.gz AGWFJOXRWSPKBZ-CQSZACIVSA-N 2 2 333.436 1.903 20 5 EDBDLP Cc1cnc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000354740308 445359697 /nfs/dbraw/zinc/35/96/97/445359697.db2.gz AGWFJOXRWSPKBZ-CQSZACIVSA-N 2 2 333.436 1.903 20 5 EDBDLP Cc1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1[N+](=O)[O-] ZINC000362672377 445491584 /nfs/dbraw/zinc/49/15/84/445491584.db2.gz MSXDQCPLGFOSOS-HNNXBMFYSA-N 2 2 332.404 1.299 20 5 EDBDLP Cc1ccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1[N+](=O)[O-] ZINC000362672377 445491587 /nfs/dbraw/zinc/49/15/87/445491587.db2.gz MSXDQCPLGFOSOS-HNNXBMFYSA-N 2 2 332.404 1.299 20 5 EDBDLP COC(=O)COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000353761872 445743458 /nfs/dbraw/zinc/74/34/58/445743458.db2.gz FGDLIFFOFAWVTI-CYBMUJFWSA-N 2 2 337.376 1.330 20 5 EDBDLP COC(=O)COc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000353761872 445743462 /nfs/dbraw/zinc/74/34/62/445743462.db2.gz FGDLIFFOFAWVTI-CYBMUJFWSA-N 2 2 337.376 1.330 20 5 EDBDLP C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000353996751 445845460 /nfs/dbraw/zinc/84/54/60/445845460.db2.gz IMBISFBCMPLXFM-ZDUSSCGKSA-N 2 2 343.387 1.947 20 5 EDBDLP C[C@H]1CC[N@@H+](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000353996751 445845465 /nfs/dbraw/zinc/84/54/65/445845465.db2.gz IMBISFBCMPLXFM-ZDUSSCGKSA-N 2 2 343.387 1.947 20 5 EDBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000351480518 446081372 /nfs/dbraw/zinc/08/13/72/446081372.db2.gz VNTVXFXGUIZHEP-IGQOVBAYSA-N 2 2 332.404 1.899 20 5 EDBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000351480518 446081375 /nfs/dbraw/zinc/08/13/75/446081375.db2.gz VNTVXFXGUIZHEP-IGQOVBAYSA-N 2 2 332.404 1.899 20 5 EDBDLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]12 ZINC000351495953 446099931 /nfs/dbraw/zinc/09/99/31/446099931.db2.gz QIKAGCGYEGCNFV-FPMFFAJLSA-N 2 2 329.360 1.814 20 5 EDBDLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]12 ZINC000351495953 446099937 /nfs/dbraw/zinc/09/99/37/446099937.db2.gz QIKAGCGYEGCNFV-FPMFFAJLSA-N 2 2 329.360 1.814 20 5 EDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000575989166 447945483 /nfs/dbraw/zinc/94/54/83/447945483.db2.gz SCPPOECBJMUUGO-DYVFJYSZSA-N 2 2 332.404 1.997 20 5 EDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000575989166 447945486 /nfs/dbraw/zinc/94/54/86/447945486.db2.gz SCPPOECBJMUUGO-DYVFJYSZSA-N 2 2 332.404 1.997 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000582482564 448250647 /nfs/dbraw/zinc/25/06/47/448250647.db2.gz JFCPFMUUHZFFAW-AAEUAGOBSA-N 2 2 332.360 1.205 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000582482564 448250649 /nfs/dbraw/zinc/25/06/49/448250649.db2.gz JFCPFMUUHZFFAW-AAEUAGOBSA-N 2 2 332.360 1.205 20 5 EDBDLP [NH3+]C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC12CCOCC2 ZINC000516066027 448375756 /nfs/dbraw/zinc/37/57/56/448375756.db2.gz FRUUNMOGAZDOGX-LBPRGKRZSA-N 2 2 346.387 1.923 20 5 EDBDLP [NH3+]C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC12CCOCC2 ZINC000516066027 448375757 /nfs/dbraw/zinc/37/57/57/448375757.db2.gz FRUUNMOGAZDOGX-LBPRGKRZSA-N 2 2 346.387 1.923 20 5 EDBDLP CC[N@@H+]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000572946106 448501190 /nfs/dbraw/zinc/50/11/90/448501190.db2.gz CGVJYIVTKLMRRH-UHFFFAOYSA-N 2 2 348.447 1.959 20 5 EDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593736990 449172516 /nfs/dbraw/zinc/17/25/16/449172516.db2.gz PPAOYLFXAGBBPZ-GUYCJALGSA-N 2 2 332.404 1.903 20 5 EDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593736990 449172521 /nfs/dbraw/zinc/17/25/21/449172521.db2.gz PPAOYLFXAGBBPZ-GUYCJALGSA-N 2 2 332.404 1.903 20 5 EDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000597989853 449175028 /nfs/dbraw/zinc/17/50/28/449175028.db2.gz KQOFLVOGTQUQBH-UHFFFAOYSA-N 2 2 348.403 1.954 20 5 EDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000597989853 449175029 /nfs/dbraw/zinc/17/50/29/449175029.db2.gz KQOFLVOGTQUQBH-UHFFFAOYSA-N 2 2 348.403 1.954 20 5 EDBDLP O=[N+]([O-])c1cccc(OCC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595866840 449218878 /nfs/dbraw/zinc/21/88/78/449218878.db2.gz MJYBAVRWKWKPDF-INIZCTEOSA-N 2 2 335.404 1.505 20 5 EDBDLP O=[N+]([O-])c1cccc(OCC[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595866840 449218882 /nfs/dbraw/zinc/21/88/82/449218882.db2.gz MJYBAVRWKWKPDF-INIZCTEOSA-N 2 2 335.404 1.505 20 5 EDBDLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000596653915 449588867 /nfs/dbraw/zinc/58/88/67/449588867.db2.gz MIJADQGKNKBSEM-CQSZACIVSA-N 2 2 329.360 1.716 20 5 EDBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC[N@@H+](C4CC4)C3)CC2)cn1 ZINC000602543632 449663682 /nfs/dbraw/zinc/66/36/82/449663682.db2.gz DQHKWLSEMPIQGX-AWEZNQCLSA-N 2 2 331.420 1.785 20 5 EDBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC[N@H+](C4CC4)C3)CC2)cn1 ZINC000602543632 449663687 /nfs/dbraw/zinc/66/36/87/449663687.db2.gz DQHKWLSEMPIQGX-AWEZNQCLSA-N 2 2 331.420 1.785 20 5 EDBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000615720663 450210725 /nfs/dbraw/zinc/21/07/25/450210725.db2.gz ISWKSBSQKJGWMN-UVTDQMKNSA-N 2 2 332.404 1.362 20 5 EDBDLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000618983567 450361361 /nfs/dbraw/zinc/36/13/61/450361361.db2.gz XVYFPJSQYAURHZ-INIZCTEOSA-N 2 2 346.431 1.681 20 5 EDBDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000754250431 579899359 /nfs/dbraw/zinc/89/93/59/579899359.db2.gz HPLUTTVNVIWLKO-IAGOWNOFSA-N 2 2 337.420 1.575 20 5 EDBDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000754250431 579899360 /nfs/dbraw/zinc/89/93/60/579899360.db2.gz HPLUTTVNVIWLKO-IAGOWNOFSA-N 2 2 337.420 1.575 20 5 EDBDLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892866573 591207977 /nfs/dbraw/zinc/20/79/77/591207977.db2.gz RUOGPPTYCJHLAJ-ZDUSSCGKSA-N 2 2 339.392 1.509 20 5 EDBDLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892866573 591207979 /nfs/dbraw/zinc/20/79/79/591207979.db2.gz RUOGPPTYCJHLAJ-ZDUSSCGKSA-N 2 2 339.392 1.509 20 5 EDBDLP CC1(C)C[NH2+]C[C@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000900424373 592014608 /nfs/dbraw/zinc/01/46/08/592014608.db2.gz JLWAFOBZLWBOMB-MRXNPFEDSA-N 2 2 334.420 1.837 20 5 EDBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000344790841 143012201 /nfs/dbraw/zinc/01/22/01/143012201.db2.gz JOGRFTAKDYGDSE-GWKQRERASA-N 2 2 346.431 1.928 20 5 EDBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000344790841 143012202 /nfs/dbraw/zinc/01/22/02/143012202.db2.gz JOGRFTAKDYGDSE-GWKQRERASA-N 2 2 346.431 1.928 20 5 EDBDLP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000375507473 157591439 /nfs/dbraw/zinc/59/14/39/157591439.db2.gz WSQXDBZBWBKTJK-FABXCBLPSA-N 2 2 343.387 1.999 20 5 EDBDLP Cn1cc[nH+]c1[C@H](NCC(F)(F)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423348177 303003428 /nfs/dbraw/zinc/00/34/28/303003428.db2.gz SBXGYNVVSPSLAP-GFCCVEGCSA-N 2 2 325.319 1.601 20 5 EDBDLP COCCC[N@H+](C)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447531375 305281626 /nfs/dbraw/zinc/28/16/26/305281626.db2.gz PPGMIMDQNDAYED-LSDHHAIUSA-N 2 2 339.440 1.833 20 5 EDBDLP COCCC[N@@H+](C)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447531375 305281627 /nfs/dbraw/zinc/28/16/27/305281627.db2.gz PPGMIMDQNDAYED-LSDHHAIUSA-N 2 2 339.440 1.833 20 5 EDBDLP CC(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448671294 305301068 /nfs/dbraw/zinc/30/10/68/305301068.db2.gz PRODPHARAFLBRI-UHFFFAOYSA-N 2 2 343.387 1.947 20 5 EDBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449731709 305318203 /nfs/dbraw/zinc/31/82/03/305318203.db2.gz WUZMUUUBJNALLM-XJKSGUPXSA-N 2 2 341.371 1.605 20 5 EDBDLP C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000058297674 441175030 /nfs/dbraw/zinc/17/50/30/441175030.db2.gz BOGMQJXGRJAJNV-GFCCVEGCSA-N 2 2 340.343 1.796 20 5 EDBDLP CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351862455 445346496 /nfs/dbraw/zinc/34/64/96/445346496.db2.gz PAKQUUAPMIRBQJ-RYUDHWBXSA-N 2 2 336.392 1.601 20 5 EDBDLP CCOc1ccc(NC(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351862455 445346498 /nfs/dbraw/zinc/34/64/98/445346498.db2.gz PAKQUUAPMIRBQJ-RYUDHWBXSA-N 2 2 336.392 1.601 20 5 EDBDLP C[C@@H]1[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000356812651 446043640 /nfs/dbraw/zinc/04/36/40/446043640.db2.gz JMKAKLWDNUOEJK-OLZOCXBDSA-N 2 2 343.387 1.945 20 5 EDBDLP C[C@@H]1[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000356812651 446043643 /nfs/dbraw/zinc/04/36/43/446043643.db2.gz JMKAKLWDNUOEJK-OLZOCXBDSA-N 2 2 343.387 1.945 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420380324 446557442 /nfs/dbraw/zinc/55/74/42/446557442.db2.gz NUSCNCXJWKUSAN-NWDGAFQWSA-N 2 2 336.392 1.459 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420380324 446557446 /nfs/dbraw/zinc/55/74/46/446557446.db2.gz NUSCNCXJWKUSAN-NWDGAFQWSA-N 2 2 336.392 1.459 20 5 EDBDLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000368419088 446850656 /nfs/dbraw/zinc/85/06/56/446850656.db2.gz ZYJYWCJJBLGGBC-HZSPNIEDSA-N 2 2 337.424 1.307 20 5 EDBDLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000368419088 446850661 /nfs/dbraw/zinc/85/06/61/446850661.db2.gz ZYJYWCJJBLGGBC-HZSPNIEDSA-N 2 2 337.424 1.307 20 5 EDBDLP Cc1ccc([C@@H](C)NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000516856714 448482862 /nfs/dbraw/zinc/48/28/62/448482862.db2.gz BBKOYLAVQVUAGQ-TZMCWYRMSA-N 2 2 335.408 1.249 20 5 EDBDLP COC(=O)COc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000600769261 449541025 /nfs/dbraw/zinc/54/10/25/449541025.db2.gz KTMUMTUZJWNXGY-OAHLLOKOSA-N 2 2 349.387 1.521 20 5 EDBDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595375309 450088422 /nfs/dbraw/zinc/08/84/22/450088422.db2.gz NDLSSOWKIUJKJR-DZGCQCFKSA-N 2 2 337.424 1.177 20 5 EDBDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595375309 450088426 /nfs/dbraw/zinc/08/84/26/450088426.db2.gz NDLSSOWKIUJKJR-DZGCQCFKSA-N 2 2 337.424 1.177 20 5 EDBDLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595375309 450088433 /nfs/dbraw/zinc/08/84/33/450088433.db2.gz NDLSSOWKIUJKJR-DZGCQCFKSA-N 2 2 337.424 1.177 20 5 EDBDLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595375309 450088438 /nfs/dbraw/zinc/08/84/38/450088438.db2.gz NDLSSOWKIUJKJR-DZGCQCFKSA-N 2 2 337.424 1.177 20 5 EDBDLP O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000603428714 450297604 /nfs/dbraw/zinc/29/76/04/450297604.db2.gz PSLBCCHQZSAGAB-QGZVFWFLSA-N 2 2 348.447 1.481 20 5 EDBDLP C[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@H](C[NH3+])C1 ZINC000841233472 594873886 /nfs/dbraw/zinc/87/38/86/594873886.db2.gz VHXLPBVFEIAWPV-SECBINFHSA-N 2 2 327.772 1.355 20 5 EDBDLP C[N@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@H](C[NH3+])C1 ZINC000841233472 594873887 /nfs/dbraw/zinc/87/38/87/594873887.db2.gz VHXLPBVFEIAWPV-SECBINFHSA-N 2 2 327.772 1.355 20 5 EDBDLP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000852760666 595531804 /nfs/dbraw/zinc/53/18/04/595531804.db2.gz KZYFDYUVMCCKGX-IAGOWNOFSA-N 2 2 337.420 1.671 20 5 EDBDLP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000852760666 595531806 /nfs/dbraw/zinc/53/18/06/595531806.db2.gz KZYFDYUVMCCKGX-IAGOWNOFSA-N 2 2 337.420 1.671 20 5 EDBDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000858224402 595735850 /nfs/dbraw/zinc/73/58/50/595735850.db2.gz FHFOXEYSPQWTIT-AWEZNQCLSA-N 2 2 340.811 1.678 20 5 EDBDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000858224402 595735852 /nfs/dbraw/zinc/73/58/52/595735852.db2.gz FHFOXEYSPQWTIT-AWEZNQCLSA-N 2 2 340.811 1.678 20 5 EDBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877284942 597486619 /nfs/dbraw/zinc/48/66/19/597486619.db2.gz XCYAAWOGPMTRDG-UONOGXRCSA-N 2 2 341.371 1.747 20 5 EDBDLP NC(=O)c1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000378063409 158068799 /nfs/dbraw/zinc/06/87/99/158068799.db2.gz WKCDUSFICUANIQ-UHFFFAOYSA-N 2 2 329.360 1.796 20 5 EDBDLP COCC[N@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272589621 277213574 /nfs/dbraw/zinc/21/35/74/277213574.db2.gz ZYBPLRUYLQEFPF-MRXNPFEDSA-N 2 2 347.419 1.586 20 5 EDBDLP COCC[N@@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272589621 277213577 /nfs/dbraw/zinc/21/35/77/277213577.db2.gz ZYBPLRUYLQEFPF-MRXNPFEDSA-N 2 2 347.419 1.586 20 5 EDBDLP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430644780 305061007 /nfs/dbraw/zinc/06/10/07/305061007.db2.gz ZHMKXISYTVNEKB-NEPJUHHUSA-N 2 2 336.392 1.601 20 5 EDBDLP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430644780 305061008 /nfs/dbraw/zinc/06/10/08/305061008.db2.gz ZHMKXISYTVNEKB-NEPJUHHUSA-N 2 2 336.392 1.601 20 5 EDBDLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448797473 305301959 /nfs/dbraw/zinc/30/19/59/305301959.db2.gz SXQGLRZGJSLLCR-ZDUSSCGKSA-N 2 2 341.371 1.747 20 5 EDBDLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448797473 305301960 /nfs/dbraw/zinc/30/19/60/305301960.db2.gz SXQGLRZGJSLLCR-ZDUSSCGKSA-N 2 2 341.371 1.747 20 5 EDBDLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000269370427 443295877 /nfs/dbraw/zinc/29/58/77/443295877.db2.gz YNLWOMARBHWUPV-UHFFFAOYSA-N 2 2 333.436 1.985 20 5 EDBDLP C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H]1[NH+](C)C ZINC000449984629 320207476 /nfs/dbraw/zinc/20/74/76/320207476.db2.gz JBIJILFTYCHHGO-MLGOLLRUSA-N 2 2 343.387 1.803 20 5 EDBDLP O=C(C[NH2+]Cc1ccccc1[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000353671091 445701272 /nfs/dbraw/zinc/70/12/72/445701272.db2.gz JMTRCATZLBZOJA-UHFFFAOYSA-N 2 2 334.420 1.677 20 5 EDBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000369269732 446033471 /nfs/dbraw/zinc/03/34/71/446033471.db2.gz XJQNKVHGAIHISC-CYBMUJFWSA-N 2 2 332.404 1.493 20 5 EDBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000369269732 446033478 /nfs/dbraw/zinc/03/34/78/446033478.db2.gz XJQNKVHGAIHISC-CYBMUJFWSA-N 2 2 332.404 1.493 20 5 EDBDLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000356812653 446043695 /nfs/dbraw/zinc/04/36/95/446043695.db2.gz JMKAKLWDNUOEJK-STQMWFEESA-N 2 2 343.387 1.945 20 5 EDBDLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000356812653 446043697 /nfs/dbraw/zinc/04/36/97/446043697.db2.gz JMKAKLWDNUOEJK-STQMWFEESA-N 2 2 343.387 1.945 20 5 EDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]12 ZINC000351475845 446077694 /nfs/dbraw/zinc/07/76/94/446077694.db2.gz JPQWWRCPWIBKPA-ADEWGFFLSA-N 2 2 338.795 1.856 20 5 EDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]12 ZINC000351475845 446077699 /nfs/dbraw/zinc/07/76/99/446077699.db2.gz JPQWWRCPWIBKPA-ADEWGFFLSA-N 2 2 338.795 1.856 20 5 EDBDLP CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000351480875 446080984 /nfs/dbraw/zinc/08/09/84/446080984.db2.gz WAHVZKHOZQPYGO-UBHSHLNASA-N 2 2 348.403 1.601 20 5 EDBDLP CCOc1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000351480875 446080989 /nfs/dbraw/zinc/08/09/89/446080989.db2.gz WAHVZKHOZQPYGO-UBHSHLNASA-N 2 2 348.403 1.601 20 5 EDBDLP COc1ccc(NC(=O)CC[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420309806 446473149 /nfs/dbraw/zinc/47/31/49/446473149.db2.gz FHVXSFRRXKSSLO-CYBMUJFWSA-N 2 2 348.403 1.758 20 5 EDBDLP COc1ccc(NC(=O)CC[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420309806 446473158 /nfs/dbraw/zinc/47/31/58/446473158.db2.gz FHVXSFRRXKSSLO-CYBMUJFWSA-N 2 2 348.403 1.758 20 5 EDBDLP COc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])cc1OC ZINC000368230261 446724343 /nfs/dbraw/zinc/72/43/43/446724343.db2.gz WEUGTCSOVAFTQP-LLVKDONJSA-N 2 2 332.360 1.982 20 5 EDBDLP COc1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])cc1OC ZINC000368230261 446724350 /nfs/dbraw/zinc/72/43/50/446724350.db2.gz WEUGTCSOVAFTQP-LLVKDONJSA-N 2 2 332.360 1.982 20 5 EDBDLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000372045217 446985354 /nfs/dbraw/zinc/98/53/54/446985354.db2.gz ATEHRFRQJBRSJT-RDJZCZTQSA-N 2 2 348.447 1.652 20 5 EDBDLP C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1(C)C ZINC000566459137 448480581 /nfs/dbraw/zinc/48/05/81/448480581.db2.gz FETNVUHJTJVDDK-UHFFFAOYSA-N 2 2 343.387 1.947 20 5 EDBDLP C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1(C)C ZINC000566459137 448480589 /nfs/dbraw/zinc/48/05/89/448480589.db2.gz FETNVUHJTJVDDK-UHFFFAOYSA-N 2 2 343.387 1.947 20 5 EDBDLP C[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1CC[NH3+] ZINC000593735726 449170671 /nfs/dbraw/zinc/17/06/71/449170671.db2.gz ZKGSYOZAWFBZFB-XJKSGUPXSA-N 2 2 346.431 1.933 20 5 EDBDLP C[C@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1CC[NH3+] ZINC000593735726 449170675 /nfs/dbraw/zinc/17/06/75/449170675.db2.gz ZKGSYOZAWFBZFB-XJKSGUPXSA-N 2 2 346.431 1.933 20 5 EDBDLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000598681515 449539203 /nfs/dbraw/zinc/53/92/03/449539203.db2.gz GMFHOMXKHNUDEG-PXAZEXFGSA-N 2 2 346.387 1.706 20 5 EDBDLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000598681515 449539204 /nfs/dbraw/zinc/53/92/04/449539204.db2.gz GMFHOMXKHNUDEG-PXAZEXFGSA-N 2 2 346.387 1.706 20 5 EDBDLP CC1(C)CC[NH2+]CC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000866698891 596298964 /nfs/dbraw/zinc/29/89/64/596298964.db2.gz CSTPLBICJPUNRJ-UHFFFAOYSA-N 2 2 348.403 1.967 20 5 EDBDLP CC1(C)CC[NH2+]CC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000866698891 596298965 /nfs/dbraw/zinc/29/89/65/596298965.db2.gz CSTPLBICJPUNRJ-UHFFFAOYSA-N 2 2 348.403 1.967 20 5 EDBDLP COC(=O)COc1ccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000873228792 597235389 /nfs/dbraw/zinc/23/53/89/597235389.db2.gz JKEXQVUVLHIDOX-SUMWQHHRSA-N 2 2 349.387 1.188 20 5 EDBDLP COC(=O)COc1ccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000873228792 597235392 /nfs/dbraw/zinc/23/53/92/597235392.db2.gz JKEXQVUVLHIDOX-SUMWQHHRSA-N 2 2 349.387 1.188 20 5 EDBDLP COC(=O)COc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000261795959 139226669 /nfs/dbraw/zinc/22/66/69/139226669.db2.gz GNUMERHJTQSZEQ-YPMHNXCESA-N 2 2 337.376 1.316 20 5 EDBDLP COC(=O)COc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000261795959 139226670 /nfs/dbraw/zinc/22/66/70/139226670.db2.gz GNUMERHJTQSZEQ-YPMHNXCESA-N 2 2 337.376 1.316 20 5 EDBDLP COCC[N@@H+](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000263706162 139354325 /nfs/dbraw/zinc/35/43/25/139354325.db2.gz CNYOQLTUHIHAKH-UHFFFAOYSA-N 2 2 347.375 1.089 20 5 EDBDLP COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000352510981 162222017 /nfs/dbraw/zinc/22/20/17/162222017.db2.gz PTKWQNPDIZLZSM-GFCCVEGCSA-N 2 2 336.392 1.745 20 5 EDBDLP COc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000352510981 162222019 /nfs/dbraw/zinc/22/20/19/162222019.db2.gz PTKWQNPDIZLZSM-GFCCVEGCSA-N 2 2 336.392 1.745 20 5 EDBDLP C[NH2+]C1CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000430936825 305069264 /nfs/dbraw/zinc/06/92/64/305069264.db2.gz XEQFIUKMEUDIIT-UHFFFAOYSA-N 2 2 334.376 1.577 20 5 EDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459653875 305522233 /nfs/dbraw/zinc/52/22/33/305522233.db2.gz DSDFXMLZCXWGRD-GFCCVEGCSA-N 2 2 331.376 1.878 20 5 EDBDLP CN(C(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000535316364 306012890 /nfs/dbraw/zinc/01/28/90/306012890.db2.gz AOEWCAIEHFWKBV-CYBMUJFWSA-N 2 2 343.387 1.781 20 5 EDBDLP CN(C(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000535316364 306012891 /nfs/dbraw/zinc/01/28/91/306012891.db2.gz AOEWCAIEHFWKBV-CYBMUJFWSA-N 2 2 343.387 1.781 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000342760635 444852610 /nfs/dbraw/zinc/85/26/10/444852610.db2.gz ZRKAPAYXQDTDRS-ZIAGYGMSSA-N 2 2 346.387 1.937 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000342760635 444852613 /nfs/dbraw/zinc/85/26/13/444852613.db2.gz ZRKAPAYXQDTDRS-ZIAGYGMSSA-N 2 2 346.387 1.937 20 5 EDBDLP Cn1ccnc1[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000353685583 445705871 /nfs/dbraw/zinc/70/58/71/445705871.db2.gz JBNXHIOYUGMTCZ-INIZCTEOSA-N 2 2 347.419 1.586 20 5 EDBDLP C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372521748 447107011 /nfs/dbraw/zinc/10/70/11/447107011.db2.gz LEBDXPSOXQGSIR-RDJZCZTQSA-N 2 2 344.419 1.811 20 5 EDBDLP C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372521748 447107016 /nfs/dbraw/zinc/10/70/16/447107016.db2.gz LEBDXPSOXQGSIR-RDJZCZTQSA-N 2 2 344.419 1.811 20 5 EDBDLP C[NH+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372521748 447107020 /nfs/dbraw/zinc/10/70/20/447107020.db2.gz LEBDXPSOXQGSIR-RDJZCZTQSA-N 2 2 344.419 1.811 20 5 EDBDLP C[NH+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372521748 447107026 /nfs/dbraw/zinc/10/70/26/447107026.db2.gz LEBDXPSOXQGSIR-RDJZCZTQSA-N 2 2 344.419 1.811 20 5 EDBDLP O=[N+]([O-])c1ccccc1OCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595867581 449218531 /nfs/dbraw/zinc/21/85/31/449218531.db2.gz PCIQWKVJFVMQDE-HNNXBMFYSA-N 2 2 335.404 1.505 20 5 EDBDLP O=[N+]([O-])c1ccccc1OCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595867581 449218536 /nfs/dbraw/zinc/21/85/36/449218536.db2.gz PCIQWKVJFVMQDE-HNNXBMFYSA-N 2 2 335.404 1.505 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000612030436 449528105 /nfs/dbraw/zinc/52/81/05/449528105.db2.gz HDILVIJBGVJZRW-LSDHHAIUSA-N 2 2 346.387 1.868 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000612030436 449528107 /nfs/dbraw/zinc/52/81/07/449528107.db2.gz HDILVIJBGVJZRW-LSDHHAIUSA-N 2 2 346.387 1.868 20 5 EDBDLP CC[C@H]([NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000600707568 449508404 /nfs/dbraw/zinc/50/84/04/449508404.db2.gz BRKGZBBOAUEYLS-CVEARBPZSA-N 2 2 330.392 1.962 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594495723 449556988 /nfs/dbraw/zinc/55/69/88/449556988.db2.gz USHITCYILPYYFF-INIZCTEOSA-N 2 2 335.404 1.946 20 5 EDBDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000131405466 529130973 /nfs/dbraw/zinc/13/09/73/529130973.db2.gz FIQVCKSYXDQBHG-CQSZACIVSA-N 2 2 346.431 1.506 20 5 EDBDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000131405466 529130976 /nfs/dbraw/zinc/13/09/76/529130976.db2.gz FIQVCKSYXDQBHG-CQSZACIVSA-N 2 2 346.431 1.506 20 5 EDBDLP C[C@@H]1C[NH+](CCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000776277268 580413777 /nfs/dbraw/zinc/41/37/77/580413777.db2.gz QGURXYSYIKQRKL-CKEIUWERSA-N 2 2 337.420 1.717 20 5 EDBDLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997413863 703668563 /nfs/dbraw/zinc/66/85/63/703668563.db2.gz RDFKKBDFDVZJMY-UHFFFAOYSA-N 2 2 349.416 1.634 20 5 EDBDLP COC(=O)COc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261996880 139242689 /nfs/dbraw/zinc/24/26/89/139242689.db2.gz SVZSNICGWMARCM-INIZCTEOSA-N 2 2 337.376 1.317 20 5 EDBDLP COC(=O)COc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261996880 139242690 /nfs/dbraw/zinc/24/26/90/139242690.db2.gz SVZSNICGWMARCM-INIZCTEOSA-N 2 2 337.376 1.317 20 5 EDBDLP Cn1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000358164744 151292369 /nfs/dbraw/zinc/29/23/69/151292369.db2.gz KBPYELMGJFYRBV-KRWDZBQOSA-N 2 2 345.403 1.152 20 5 EDBDLP Cn1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000358164744 151292371 /nfs/dbraw/zinc/29/23/71/151292371.db2.gz KBPYELMGJFYRBV-KRWDZBQOSA-N 2 2 345.403 1.152 20 5 EDBDLP Cc1nn(C)c(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000374254252 279198249 /nfs/dbraw/zinc/19/82/49/279198249.db2.gz CWOJWCWZRBHOCM-GFCCVEGCSA-N 2 2 336.440 1.241 20 5 EDBDLP Cc1nn(C)c(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000374254252 279198252 /nfs/dbraw/zinc/19/82/52/279198252.db2.gz CWOJWCWZRBHOCM-GFCCVEGCSA-N 2 2 336.440 1.241 20 5 EDBDLP COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430968850 305071640 /nfs/dbraw/zinc/07/16/40/305071640.db2.gz XPKBORMCCOOGHT-RYUDHWBXSA-N 2 2 336.392 1.601 20 5 EDBDLP COc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430968850 305071641 /nfs/dbraw/zinc/07/16/41/305071641.db2.gz XPKBORMCCOOGHT-RYUDHWBXSA-N 2 2 336.392 1.601 20 5 EDBDLP CN(C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000139899603 441828697 /nfs/dbraw/zinc/82/86/97/441828697.db2.gz KQCFQMISLQHMMH-PBHICJAKSA-N 2 2 346.431 1.974 20 5 EDBDLP CN(C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000139899603 441828702 /nfs/dbraw/zinc/82/87/02/441828702.db2.gz KQCFQMISLQHMMH-PBHICJAKSA-N 2 2 346.431 1.974 20 5 EDBDLP CN(C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000139899603 441828708 /nfs/dbraw/zinc/82/87/08/441828708.db2.gz KQCFQMISLQHMMH-PBHICJAKSA-N 2 2 346.431 1.974 20 5 EDBDLP CN(C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000139899603 441828715 /nfs/dbraw/zinc/82/87/15/441828715.db2.gz KQCFQMISLQHMMH-PBHICJAKSA-N 2 2 346.431 1.974 20 5 EDBDLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000272257439 443570832 /nfs/dbraw/zinc/57/08/32/443570832.db2.gz MJVRYCQXJDYIEG-DGCLKSJQSA-N 2 2 329.360 1.590 20 5 EDBDLP C[C@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1[N+](=O)[O-] ZINC000361930765 446080404 /nfs/dbraw/zinc/08/04/04/446080404.db2.gz XEBFNLHOPLMVQU-DOTOQJQBSA-N 2 2 348.447 1.432 20 5 EDBDLP C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1[N+](=O)[O-] ZINC000361930765 446080408 /nfs/dbraw/zinc/08/04/08/446080408.db2.gz XEBFNLHOPLMVQU-DOTOQJQBSA-N 2 2 348.447 1.432 20 5 EDBDLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000361930765 446080414 /nfs/dbraw/zinc/08/04/14/446080414.db2.gz XEBFNLHOPLMVQU-DOTOQJQBSA-N 2 2 348.447 1.432 20 5 EDBDLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000361930765 446080418 /nfs/dbraw/zinc/08/04/18/446080418.db2.gz XEBFNLHOPLMVQU-DOTOQJQBSA-N 2 2 348.447 1.432 20 5 EDBDLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000420357803 446537980 /nfs/dbraw/zinc/53/79/80/446537980.db2.gz DSGLGVJOIGXMPG-AVRGHOLYSA-N 2 2 332.404 1.676 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442780761 446965543 /nfs/dbraw/zinc/96/55/43/446965543.db2.gz LKPHIMPBUFVMLM-SRVKXCTJSA-N 2 2 336.392 1.600 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442780761 446965545 /nfs/dbraw/zinc/96/55/45/446965545.db2.gz LKPHIMPBUFVMLM-SRVKXCTJSA-N 2 2 336.392 1.600 20 5 EDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000592487176 448858409 /nfs/dbraw/zinc/85/84/09/448858409.db2.gz QBTYEYUICCQRMM-DYVFJYSZSA-N 2 2 332.404 1.997 20 5 EDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000592487176 448858414 /nfs/dbraw/zinc/85/84/14/448858414.db2.gz QBTYEYUICCQRMM-DYVFJYSZSA-N 2 2 332.404 1.997 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000574632244 448920475 /nfs/dbraw/zinc/92/04/75/448920475.db2.gz ZAKXMGYAPMYOCO-HNNXBMFYSA-N 2 2 346.387 1.657 20 5 EDBDLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000604342281 449209726 /nfs/dbraw/zinc/20/97/26/449209726.db2.gz HXZLRGQIAREOPV-UHFFFAOYSA-N 2 2 330.348 1.322 20 5 EDBDLP COc1cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000611516677 449318953 /nfs/dbraw/zinc/31/89/53/449318953.db2.gz OBWKURNEHPKMGG-MRXNPFEDSA-N 2 2 348.447 1.815 20 5 EDBDLP COc1cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000611516677 449318958 /nfs/dbraw/zinc/31/89/58/449318958.db2.gz OBWKURNEHPKMGG-MRXNPFEDSA-N 2 2 348.447 1.815 20 5 EDBDLP CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000598341834 449357206 /nfs/dbraw/zinc/35/72/06/449357206.db2.gz GQFKVAAIWLVPIW-CQSZACIVSA-N 2 2 343.387 1.995 20 5 EDBDLP CCC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000598341834 449357209 /nfs/dbraw/zinc/35/72/09/449357209.db2.gz GQFKVAAIWLVPIW-CQSZACIVSA-N 2 2 343.387 1.995 20 5 EDBDLP [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)C2 ZINC000598667842 449529659 /nfs/dbraw/zinc/52/96/59/449529659.db2.gz MZOXDEDNOHZGRD-SUMWQHHRSA-N 2 2 341.371 1.734 20 5 EDBDLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892713575 591144316 /nfs/dbraw/zinc/14/43/16/591144316.db2.gz JOJKHYKXAWCZDU-UHFFFAOYSA-N 2 2 326.784 1.112 20 5 EDBDLP C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000900380481 592002022 /nfs/dbraw/zinc/00/20/22/592002022.db2.gz MGWIMIAWSZATQG-ZBFHGGJFSA-N 2 2 348.447 1.848 20 5 EDBDLP O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000844339334 595328446 /nfs/dbraw/zinc/32/84/46/595328446.db2.gz ZCZZFGCEYAFWDA-KRWDZBQOSA-N 2 2 349.431 1.455 20 5 EDBDLP COc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000051740986 214102564 /nfs/dbraw/zinc/10/25/64/214102564.db2.gz KTEPSEPWSVCJMD-UHFFFAOYSA-N 2 2 348.447 1.817 20 5 EDBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564849214 306367262 /nfs/dbraw/zinc/36/72/62/306367262.db2.gz JUFSXDHWZDUUPZ-ISTRZQFTSA-N 2 2 335.404 1.407 20 5 EDBDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564849214 306367263 /nfs/dbraw/zinc/36/72/63/306367263.db2.gz JUFSXDHWZDUUPZ-ISTRZQFTSA-N 2 2 335.404 1.407 20 5 EDBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000415039939 304153403 /nfs/dbraw/zinc/15/34/03/304153403.db2.gz NNUYUIIZTASCTR-LBPRGKRZSA-N 2 2 331.319 1.664 20 5 EDBDLP COC(=O)COc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415079839 304158210 /nfs/dbraw/zinc/15/82/10/304158210.db2.gz XWBJGYZJWBMVDF-CYBMUJFWSA-N 2 2 337.376 1.378 20 5 EDBDLP COc1cc(C[NH2+][C@H](C)CC[NH+]2CCOCC2)c([N+](=O)[O-])cc1O ZINC000076897775 286221994 /nfs/dbraw/zinc/22/19/94/286221994.db2.gz ZPNRAXIHAXUBQR-GFCCVEGCSA-N 2 2 339.392 1.509 20 5 EDBDLP COc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000352546589 162244106 /nfs/dbraw/zinc/24/41/06/162244106.db2.gz XMHTYZJJFGQXBF-OAHLLOKOSA-N 2 2 335.404 1.758 20 5 EDBDLP COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000352546589 162244107 /nfs/dbraw/zinc/24/41/07/162244107.db2.gz XMHTYZJJFGQXBF-OAHLLOKOSA-N 2 2 335.404 1.758 20 5 EDBDLP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000430949923 305070223 /nfs/dbraw/zinc/07/02/23/305070223.db2.gz FLHAIIVITSLWPN-SECBINFHSA-N 2 2 331.319 1.985 20 5 EDBDLP COc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000430949923 305070224 /nfs/dbraw/zinc/07/02/24/305070224.db2.gz FLHAIIVITSLWPN-SECBINFHSA-N 2 2 331.319 1.985 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435622165 305143761 /nfs/dbraw/zinc/14/37/61/305143761.db2.gz QIMFCZBVFXZISF-LBPRGKRZSA-N 2 2 336.392 1.616 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435622165 305143762 /nfs/dbraw/zinc/14/37/62/305143762.db2.gz QIMFCZBVFXZISF-LBPRGKRZSA-N 2 2 336.392 1.616 20 5 EDBDLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451548716 305352830 /nfs/dbraw/zinc/35/28/30/305352830.db2.gz NWKQAICAVHLAJL-INIZCTEOSA-N 2 2 346.431 1.548 20 5 EDBDLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451548716 305352831 /nfs/dbraw/zinc/35/28/31/305352831.db2.gz NWKQAICAVHLAJL-INIZCTEOSA-N 2 2 346.431 1.548 20 5 EDBDLP CN(C)C(=O)C[NH+]1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000324817344 444358944 /nfs/dbraw/zinc/35/89/44/444358944.db2.gz WSHVSWVZRCRACW-UHFFFAOYSA-N 2 2 334.420 1.280 20 5 EDBDLP COc1c[nH+]ccc1N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000361529258 445805567 /nfs/dbraw/zinc/80/55/67/445805567.db2.gz XBGNCLKWAZJRHZ-UHFFFAOYSA-N 2 2 332.364 1.017 20 5 EDBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)C2)CC1 ZINC000363703995 445871081 /nfs/dbraw/zinc/87/10/81/445871081.db2.gz GSQLOTXFVNGKRO-GFCCVEGCSA-N 2 2 348.403 1.199 20 5 EDBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)C2)CC1 ZINC000363703995 445871084 /nfs/dbraw/zinc/87/10/84/445871084.db2.gz GSQLOTXFVNGKRO-GFCCVEGCSA-N 2 2 348.403 1.199 20 5 EDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]12 ZINC000351475847 446077028 /nfs/dbraw/zinc/07/70/28/446077028.db2.gz JPQWWRCPWIBKPA-YUSALJHKSA-N 2 2 338.795 1.856 20 5 EDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]12 ZINC000351475847 446077035 /nfs/dbraw/zinc/07/70/35/446077035.db2.gz JPQWWRCPWIBKPA-YUSALJHKSA-N 2 2 338.795 1.856 20 5 EDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]12 ZINC000351495955 446099432 /nfs/dbraw/zinc/09/94/32/446099432.db2.gz QIKAGCGYEGCNFV-KWCYVHTRSA-N 2 2 329.360 1.814 20 5 EDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]12 ZINC000351495955 446099440 /nfs/dbraw/zinc/09/94/40/446099440.db2.gz QIKAGCGYEGCNFV-KWCYVHTRSA-N 2 2 329.360 1.814 20 5 EDBDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)CC1 ZINC000421245327 447081504 /nfs/dbraw/zinc/08/15/04/447081504.db2.gz XUHOJQVROLNWCW-UHFFFAOYSA-N 2 2 349.435 1.555 20 5 EDBDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)CC1 ZINC000421245327 447081511 /nfs/dbraw/zinc/08/15/11/447081511.db2.gz XUHOJQVROLNWCW-UHFFFAOYSA-N 2 2 349.435 1.555 20 5 EDBDLP C[NH2+]C[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420190232 447663003 /nfs/dbraw/zinc/66/30/03/447663003.db2.gz PEOCAWULZJYSJH-HNNXBMFYSA-N 2 2 334.420 1.473 20 5 EDBDLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000422635127 447681634 /nfs/dbraw/zinc/68/16/34/447681634.db2.gz KXFDQHOUEGUTBJ-RDBSUJKOSA-N 2 2 334.420 1.863 20 5 EDBDLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000422635127 447681640 /nfs/dbraw/zinc/68/16/40/447681640.db2.gz KXFDQHOUEGUTBJ-RDBSUJKOSA-N 2 2 334.420 1.863 20 5 EDBDLP C[C@H](CC[NH+](C)C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000519502041 448773671 /nfs/dbraw/zinc/77/36/71/448773671.db2.gz KNMMJRSENALQSC-GFCCVEGCSA-N 2 2 329.422 1.298 20 5 EDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597992428 449176535 /nfs/dbraw/zinc/17/65/35/449176535.db2.gz KOMUCSMETMGBIE-DLBZAZTESA-N 2 2 348.447 1.698 20 5 EDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597992428 449176543 /nfs/dbraw/zinc/17/65/43/449176543.db2.gz KOMUCSMETMGBIE-DLBZAZTESA-N 2 2 348.447 1.698 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000590599100 449214002 /nfs/dbraw/zinc/21/40/02/449214002.db2.gz HPHAJOZFDYAOEI-UHFFFAOYSA-N 2 2 329.360 1.944 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000590599100 449214005 /nfs/dbraw/zinc/21/40/05/449214005.db2.gz HPHAJOZFDYAOEI-UHFFFAOYSA-N 2 2 329.360 1.944 20 5 EDBDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000594718545 449645151 /nfs/dbraw/zinc/64/51/51/449645151.db2.gz SFDABPCCSQXPHK-HUUCEWRRSA-N 2 2 337.420 1.797 20 5 EDBDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000594718545 449645156 /nfs/dbraw/zinc/64/51/56/449645156.db2.gz SFDABPCCSQXPHK-HUUCEWRRSA-N 2 2 337.420 1.797 20 5 EDBDLP O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000601333360 449841066 /nfs/dbraw/zinc/84/10/66/449841066.db2.gz CQRVCWFCKHBLIF-DZGCQCFKSA-N 2 2 332.404 1.997 20 5 EDBDLP O=C(CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000601333360 449841069 /nfs/dbraw/zinc/84/10/69/449841069.db2.gz CQRVCWFCKHBLIF-DZGCQCFKSA-N 2 2 332.404 1.997 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609257764 449984722 /nfs/dbraw/zinc/98/47/22/449984722.db2.gz DQTRZZDRZJWLCE-CVEARBPZSA-N 2 2 346.387 1.868 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609257764 449984728 /nfs/dbraw/zinc/98/47/28/449984728.db2.gz DQTRZZDRZJWLCE-CVEARBPZSA-N 2 2 346.387 1.868 20 5 EDBDLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000776277532 580413764 /nfs/dbraw/zinc/41/37/64/580413764.db2.gz QGURXYSYIKQRKL-JKIFEVAISA-N 2 2 337.420 1.717 20 5 EDBDLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000776277532 580413765 /nfs/dbraw/zinc/41/37/65/580413765.db2.gz QGURXYSYIKQRKL-JKIFEVAISA-N 2 2 337.420 1.717 20 5 EDBDLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776592173 580423166 /nfs/dbraw/zinc/42/31/66/580423166.db2.gz ZUDMDJFKNSNTBC-HNNXBMFYSA-N 2 2 331.376 1.184 20 5 EDBDLP O=[N+]([O-])CC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000791052934 580783586 /nfs/dbraw/zinc/78/35/86/580783586.db2.gz PRSKUROLVOCWOZ-INIZCTEOSA-N 2 2 333.436 1.192 20 5 EDBDLP O=[N+]([O-])CC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000791052934 580783587 /nfs/dbraw/zinc/78/35/87/580783587.db2.gz PRSKUROLVOCWOZ-INIZCTEOSA-N 2 2 333.436 1.192 20 5 EDBDLP O=C(CC[NH2+][C@@H]1CC[NH2+]C12CCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000903472303 592175638 /nfs/dbraw/zinc/17/56/38/592175638.db2.gz RJYAQLOLHXHZRG-CQSZACIVSA-N 2 2 336.367 1.937 20 5 EDBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000818979846 593732084 /nfs/dbraw/zinc/73/20/84/593732084.db2.gz BQPQHFUDIFGBER-INIZCTEOSA-N 2 2 342.359 1.128 20 5 EDBDLP CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000823266865 594178317 /nfs/dbraw/zinc/17/83/17/594178317.db2.gz IECDAACWOPQAQB-OAHLLOKOSA-N 2 2 340.468 1.449 20 5 EDBDLP CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000823266865 594178318 /nfs/dbraw/zinc/17/83/18/594178318.db2.gz IECDAACWOPQAQB-OAHLLOKOSA-N 2 2 340.468 1.449 20 5 EDBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000852707671 596230923 /nfs/dbraw/zinc/23/09/23/596230923.db2.gz IPWJPGNULGYUAP-IAGOWNOFSA-N 2 2 335.404 1.159 20 5 EDBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000852707671 596230925 /nfs/dbraw/zinc/23/09/25/596230925.db2.gz IPWJPGNULGYUAP-IAGOWNOFSA-N 2 2 335.404 1.159 20 5 EDBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129307888 223042718 /nfs/dbraw/zinc/04/27/18/223042718.db2.gz PQFGVVODLOPKMH-OAHLLOKOSA-N 2 2 335.404 1.628 20 5 EDBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)cs2)c1 ZINC000263304802 139334573 /nfs/dbraw/zinc/33/45/73/139334573.db2.gz XQMUQUKNSHUPET-SMDDNHRTSA-N 2 2 334.401 1.388 20 5 EDBDLP CC[N@H+](CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000263687546 139352934 /nfs/dbraw/zinc/35/29/34/139352934.db2.gz GMLOYGXKKZKIME-UHFFFAOYSA-N 2 2 343.387 1.995 20 5 EDBDLP CC[N@@H+](CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000263687546 139352935 /nfs/dbraw/zinc/35/29/35/139352935.db2.gz GMLOYGXKKZKIME-UHFFFAOYSA-N 2 2 343.387 1.995 20 5 EDBDLP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000370056431 155305510 /nfs/dbraw/zinc/30/55/10/155305510.db2.gz QYKYKSZCOQPNPM-CYBMUJFWSA-N 2 2 330.392 1.966 20 5 EDBDLP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000370056431 155305511 /nfs/dbraw/zinc/30/55/11/155305511.db2.gz QYKYKSZCOQPNPM-CYBMUJFWSA-N 2 2 330.392 1.966 20 5 EDBDLP CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378144302 158091507 /nfs/dbraw/zinc/09/15/07/158091507.db2.gz TWWDYLJUUNHRMD-OAHLLOKOSA-N 2 2 347.419 1.230 20 5 EDBDLP CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378144302 158091509 /nfs/dbraw/zinc/09/15/09/158091509.db2.gz TWWDYLJUUNHRMD-OAHLLOKOSA-N 2 2 347.419 1.230 20 5 EDBDLP C[N@H+](CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C1CC1 ZINC000447810948 305285963 /nfs/dbraw/zinc/28/59/63/305285963.db2.gz BYGGOSODJKIUMI-UHFFFAOYSA-N 2 2 334.420 1.933 20 5 EDBDLP C[N@@H+](CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C1CC1 ZINC000447810948 305285964 /nfs/dbraw/zinc/28/59/64/305285964.db2.gz BYGGOSODJKIUMI-UHFFFAOYSA-N 2 2 334.420 1.933 20 5 EDBDLP C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[N@H+](C)C1CC1 ZINC000448891565 305302956 /nfs/dbraw/zinc/30/29/56/305302956.db2.gz UFHWGTSWWWMWOI-LBPRGKRZSA-N 2 2 343.387 1.993 20 5 EDBDLP C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[N@@H+](C)C1CC1 ZINC000448891565 305302957 /nfs/dbraw/zinc/30/29/57/305302957.db2.gz UFHWGTSWWWMWOI-LBPRGKRZSA-N 2 2 343.387 1.993 20 5 EDBDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)CC1 ZINC000050800620 441389594 /nfs/dbraw/zinc/38/95/94/441389594.db2.gz LSFSRRSXTMVIQO-UHFFFAOYSA-N 2 2 335.408 1.211 20 5 EDBDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000285417413 443977457 /nfs/dbraw/zinc/97/74/57/443977457.db2.gz VIPIMWWOTRJGKY-HNNXBMFYSA-N 2 2 348.447 1.622 20 5 EDBDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000285417413 443977459 /nfs/dbraw/zinc/97/74/59/443977459.db2.gz VIPIMWWOTRJGKY-HNNXBMFYSA-N 2 2 348.447 1.622 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369272134 446037278 /nfs/dbraw/zinc/03/72/78/446037278.db2.gz ADGSFWDYDIKYDY-AWEZNQCLSA-N 2 2 346.431 1.802 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369272134 446037280 /nfs/dbraw/zinc/03/72/80/446037280.db2.gz ADGSFWDYDIKYDY-AWEZNQCLSA-N 2 2 346.431 1.802 20 5 EDBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000351480517 446080474 /nfs/dbraw/zinc/08/04/74/446080474.db2.gz VNTVXFXGUIZHEP-FQUUOJAGSA-N 2 2 332.404 1.899 20 5 EDBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000351480517 446080480 /nfs/dbraw/zinc/08/04/80/446080480.db2.gz VNTVXFXGUIZHEP-FQUUOJAGSA-N 2 2 332.404 1.899 20 5 EDBDLP Cc1ccnc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000374256271 446359404 /nfs/dbraw/zinc/35/94/04/446359404.db2.gz NGAPTYDEVLYVBK-CQSZACIVSA-N 2 2 333.436 1.903 20 5 EDBDLP Cc1ccnc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000374256271 446359412 /nfs/dbraw/zinc/35/94/12/446359412.db2.gz NGAPTYDEVLYVBK-CQSZACIVSA-N 2 2 333.436 1.903 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420339529 446510436 /nfs/dbraw/zinc/51/04/36/446510436.db2.gz LYOSCBQRKWAMPG-SWLSCSKDSA-N 2 2 348.403 1.616 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420339529 446510440 /nfs/dbraw/zinc/51/04/40/446510440.db2.gz LYOSCBQRKWAMPG-SWLSCSKDSA-N 2 2 348.403 1.616 20 5 EDBDLP CN(C[C@H]1CCC[N@@H+]1C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000420630151 446709977 /nfs/dbraw/zinc/70/99/77/446709977.db2.gz DKRWCXXPOGXNLR-MRXNPFEDSA-N 2 2 348.447 1.957 20 5 EDBDLP CN(C[C@H]1CCC[N@H+]1C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000420630151 446709981 /nfs/dbraw/zinc/70/99/81/446709981.db2.gz DKRWCXXPOGXNLR-MRXNPFEDSA-N 2 2 348.447 1.957 20 5 EDBDLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413135182 447025394 /nfs/dbraw/zinc/02/53/94/447025394.db2.gz MIIXHCUYAMIKQM-HNNXBMFYSA-N 2 2 343.387 1.895 20 5 EDBDLP NC(=O)[C@@H]1CCC[N@H+]1CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413135182 447025399 /nfs/dbraw/zinc/02/53/99/447025399.db2.gz MIIXHCUYAMIKQM-HNNXBMFYSA-N 2 2 343.387 1.895 20 5 EDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@@H]1CCC[NH2+]C1 ZINC000420177149 447657061 /nfs/dbraw/zinc/65/70/61/447657061.db2.gz RQKSXWZTTSKYAL-OAHLLOKOSA-N 2 2 334.420 1.839 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592475127 448853078 /nfs/dbraw/zinc/85/30/78/448853078.db2.gz SZWHNNBGFBLLDB-IUODEOHRSA-N 2 2 336.392 1.280 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592475127 448853084 /nfs/dbraw/zinc/85/30/84/448853084.db2.gz SZWHNNBGFBLLDB-IUODEOHRSA-N 2 2 336.392 1.280 20 5 EDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593735994 449170324 /nfs/dbraw/zinc/17/03/24/449170324.db2.gz DAKISQWZSIROCZ-IGCXYCKISA-N 2 2 332.404 1.983 20 5 EDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593735994 449170328 /nfs/dbraw/zinc/17/03/28/449170328.db2.gz DAKISQWZSIROCZ-IGCXYCKISA-N 2 2 332.404 1.983 20 5 EDBDLP COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000593735978 449170502 /nfs/dbraw/zinc/17/05/02/449170502.db2.gz BUMDZYRAYNTVSK-SJCJKPOMSA-N 2 2 348.403 1.603 20 5 EDBDLP COc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000593735978 449170505 /nfs/dbraw/zinc/17/05/05/449170505.db2.gz BUMDZYRAYNTVSK-SJCJKPOMSA-N 2 2 348.403 1.603 20 5 EDBDLP COc1ccc(NC(=O)CC[N@@H+]2CCn3c[nH+]cc3C2)c([N+](=O)[O-])c1 ZINC000590599001 449211279 /nfs/dbraw/zinc/21/12/79/449211279.db2.gz BTZDOMZASXOHHR-UHFFFAOYSA-N 2 2 345.359 1.644 20 5 EDBDLP COc1ccc(NC(=O)CC[N@H+]2CCn3c[nH+]cc3C2)c([N+](=O)[O-])c1 ZINC000590599001 449211282 /nfs/dbraw/zinc/21/12/82/449211282.db2.gz BTZDOMZASXOHHR-UHFFFAOYSA-N 2 2 345.359 1.644 20 5 EDBDLP C[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000604198276 449190445 /nfs/dbraw/zinc/19/04/45/449190445.db2.gz FFABQVJFRRUGKD-ZDUSSCGKSA-N 2 2 329.360 1.605 20 5 EDBDLP C[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000604198276 449190446 /nfs/dbraw/zinc/19/04/46/449190446.db2.gz FFABQVJFRRUGKD-ZDUSSCGKSA-N 2 2 329.360 1.605 20 5 EDBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3c(Cl)cncc3[N+](=O)[O-])C2)CC1 ZINC000596124352 449375158 /nfs/dbraw/zinc/37/51/58/449375158.db2.gz WCUHCDITXLLHOV-NSHDSACASA-N 2 2 339.827 1.646 20 5 EDBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3c(Cl)cncc3[N+](=O)[O-])C2)CC1 ZINC000596124352 449375159 /nfs/dbraw/zinc/37/51/59/449375159.db2.gz WCUHCDITXLLHOV-NSHDSACASA-N 2 2 339.827 1.646 20 5 EDBDLP COc1ccc(C[NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)cc1[N+](=O)[O-] ZINC000600677518 449486875 /nfs/dbraw/zinc/48/68/75/449486875.db2.gz FIZFZKCTWCFLGC-ZDUSSCGKSA-N 2 2 332.364 1.019 20 5 EDBDLP O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600758178 449538036 /nfs/dbraw/zinc/53/80/36/449538036.db2.gz XCRMZDJVZQMEAE-INIZCTEOSA-N 2 2 335.404 1.891 20 5 EDBDLP Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1C ZINC000898669613 591467590 /nfs/dbraw/zinc/46/75/90/591467590.db2.gz RIVHHFRRXWDPOC-UHFFFAOYSA-N 2 2 336.436 1.825 20 5 EDBDLP Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1C ZINC000898669613 591467593 /nfs/dbraw/zinc/46/75/93/591467593.db2.gz RIVHHFRRXWDPOC-UHFFFAOYSA-N 2 2 336.436 1.825 20 5 EDBDLP O=C(CC[N@@H+]1CCC[C@]12CC[NH2+]C2)Nc1cc([N+](=O)[O-])ccc1F ZINC000903866907 592342022 /nfs/dbraw/zinc/34/20/22/592342022.db2.gz LPWKDLICKAVJGC-MRXNPFEDSA-N 2 2 336.367 1.890 20 5 EDBDLP O=C(CC[N@H+]1CCC[C@]12CC[NH2+]C2)Nc1cc([N+](=O)[O-])ccc1F ZINC000903866907 592342027 /nfs/dbraw/zinc/34/20/27/592342027.db2.gz LPWKDLICKAVJGC-MRXNPFEDSA-N 2 2 336.367 1.890 20 5 EDBDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843362768 595087509 /nfs/dbraw/zinc/08/75/09/595087509.db2.gz QCLJLHJWGXTVKW-VHSXEESVSA-N 2 2 326.784 1.856 20 5 EDBDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843362768 595087510 /nfs/dbraw/zinc/08/75/10/595087510.db2.gz QCLJLHJWGXTVKW-VHSXEESVSA-N 2 2 326.784 1.856 20 5 EDBDLP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000852760631 595531909 /nfs/dbraw/zinc/53/19/09/595531909.db2.gz JVEMOQUFGIEJOT-SJORKVTESA-N 2 2 337.420 1.671 20 5 EDBDLP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000852760631 595531912 /nfs/dbraw/zinc/53/19/12/595531912.db2.gz JVEMOQUFGIEJOT-SJORKVTESA-N 2 2 337.420 1.671 20 5 EDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000852010283 596007278 /nfs/dbraw/zinc/00/72/78/596007278.db2.gz VUPCBAVZDLGAKW-WMZOPIPTSA-N 2 2 349.431 1.815 20 5 EDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000852010283 596007281 /nfs/dbraw/zinc/00/72/81/596007281.db2.gz VUPCBAVZDLGAKW-WMZOPIPTSA-N 2 2 349.431 1.815 20 5 EDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000852010280 596007318 /nfs/dbraw/zinc/00/73/18/596007318.db2.gz VUPCBAVZDLGAKW-AEFFLSMTSA-N 2 2 349.431 1.815 20 5 EDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000852010280 596007322 /nfs/dbraw/zinc/00/73/22/596007322.db2.gz VUPCBAVZDLGAKW-AEFFLSMTSA-N 2 2 349.431 1.815 20 5 EDBDLP C[NH2+][C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000178593636 530044804 /nfs/dbraw/zinc/04/48/04/530044804.db2.gz ZWECTYPMPZIVJM-CYBMUJFWSA-N 2 2 329.360 1.605 20 5 EDBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3C[NH2+]C[C@@H]3O)cs2)c1 ZINC000263304800 139334598 /nfs/dbraw/zinc/33/45/98/139334598.db2.gz XQMUQUKNSHUPET-FZMZJTMJSA-N 2 2 334.401 1.388 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000371696011 156065875 /nfs/dbraw/zinc/06/58/75/156065875.db2.gz ZTQOWLCJAFRSPA-CQSZACIVSA-N 2 2 346.387 1.937 20 5 EDBDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 ZINC000422008808 447306701 /nfs/dbraw/zinc/30/67/01/447306701.db2.gz PVIUZPFGGHFNCH-UHFFFAOYSA-N 2 2 349.435 1.555 20 5 EDBDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 ZINC000422008808 447306703 /nfs/dbraw/zinc/30/67/03/447306703.db2.gz PVIUZPFGGHFNCH-UHFFFAOYSA-N 2 2 349.435 1.555 20 5 EDBDLP [NH3+]CC[C@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420237514 303390151 /nfs/dbraw/zinc/39/01/51/303390151.db2.gz FYBPPYUIVFOKKW-OAHLLOKOSA-N 2 2 348.447 1.992 20 5 EDBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173718099 441828626 /nfs/dbraw/zinc/82/86/26/441828626.db2.gz UAWGSSRLEAPHQQ-UHFFFAOYSA-N 2 2 348.447 1.622 20 5 EDBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173718099 441828631 /nfs/dbraw/zinc/82/86/31/441828631.db2.gz UAWGSSRLEAPHQQ-UHFFFAOYSA-N 2 2 348.447 1.622 20 5 EDBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000299313284 444015258 /nfs/dbraw/zinc/01/52/58/444015258.db2.gz CAASVSKIUSSCHA-UHFFFAOYSA-N 2 2 341.371 1.701 20 5 EDBDLP O=[N+]([O-])c1cccc(OCC[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000578240584 321745615 /nfs/dbraw/zinc/74/56/15/321745615.db2.gz ZCFGPNDGIBWANW-UHFFFAOYSA-N 2 2 349.431 1.800 20 5 EDBDLP CC(C)(C)[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000354463146 445248406 /nfs/dbraw/zinc/24/84/06/445248406.db2.gz VSCNQHNYXJIOHY-UHFFFAOYSA-N 2 2 331.376 1.898 20 5 EDBDLP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351854780 445344301 /nfs/dbraw/zinc/34/43/01/445344301.db2.gz RMJVCAYPTMTIFD-WOPDTQHZSA-N 2 2 336.392 1.600 20 5 EDBDLP COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351854780 445344302 /nfs/dbraw/zinc/34/43/02/445344302.db2.gz RMJVCAYPTMTIFD-WOPDTQHZSA-N 2 2 336.392 1.600 20 5 EDBDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000351856968 445344376 /nfs/dbraw/zinc/34/43/76/445344376.db2.gz ABCJMLCXPNWYHA-VHSXEESVSA-N 2 2 326.784 1.856 20 5 EDBDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000351856968 445344378 /nfs/dbraw/zinc/34/43/78/445344378.db2.gz ABCJMLCXPNWYHA-VHSXEESVSA-N 2 2 326.784 1.856 20 5 EDBDLP COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000353761875 445743596 /nfs/dbraw/zinc/74/35/96/445743596.db2.gz FGDLIFFOFAWVTI-ZDUSSCGKSA-N 2 2 337.376 1.330 20 5 EDBDLP COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000353761875 445743598 /nfs/dbraw/zinc/74/35/98/445743598.db2.gz FGDLIFFOFAWVTI-ZDUSSCGKSA-N 2 2 337.376 1.330 20 5 EDBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000369247484 446019886 /nfs/dbraw/zinc/01/98/86/446019886.db2.gz CEPNNHXZVILWJK-CQSZACIVSA-N 2 2 347.419 1.885 20 5 EDBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000369247484 446019889 /nfs/dbraw/zinc/01/98/89/446019889.db2.gz CEPNNHXZVILWJK-CQSZACIVSA-N 2 2 347.419 1.885 20 5 EDBDLP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450347180 447461935 /nfs/dbraw/zinc/46/19/35/447461935.db2.gz HFLCWLPTUHVCAX-STQMWFEESA-N 2 2 343.387 1.945 20 5 EDBDLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450347180 447461940 /nfs/dbraw/zinc/46/19/40/447461940.db2.gz HFLCWLPTUHVCAX-STQMWFEESA-N 2 2 343.387 1.945 20 5 EDBDLP CN(CC(C)(C)C[NH3+])c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000420206878 447670593 /nfs/dbraw/zinc/67/05/93/447670593.db2.gz QEMKSUKFGRJYJJ-UHFFFAOYSA-N 2 2 336.436 1.848 20 5 EDBDLP C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C[NH+](C)C ZINC000452002773 447799451 /nfs/dbraw/zinc/79/94/51/447799451.db2.gz HXXKWVROFVOQGP-LBPRGKRZSA-N 2 2 331.376 1.708 20 5 EDBDLP COc1ccc(NC(=O)CC[N@@H+]2CC3CC2(C[NH3+])C3)c([N+](=O)[O-])c1 ZINC000595907653 449246121 /nfs/dbraw/zinc/24/61/21/449246121.db2.gz CLVZFURIPBGOFD-UHFFFAOYSA-N 2 2 334.376 1.355 20 5 EDBDLP COc1ccc(NC(=O)CC[N@H+]2CC3CC2(C[NH3+])C3)c([N+](=O)[O-])c1 ZINC000595907653 449246125 /nfs/dbraw/zinc/24/61/25/449246125.db2.gz CLVZFURIPBGOFD-UHFFFAOYSA-N 2 2 334.376 1.355 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000612030433 449527943 /nfs/dbraw/zinc/52/79/43/449527943.db2.gz HDILVIJBGVJZRW-CABCVRRESA-N 2 2 346.387 1.868 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000612030433 449527948 /nfs/dbraw/zinc/52/79/48/449527948.db2.gz HDILVIJBGVJZRW-CABCVRRESA-N 2 2 346.387 1.868 20 5 EDBDLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000598681517 449539840 /nfs/dbraw/zinc/53/98/40/449539840.db2.gz GMFHOMXKHNUDEG-SJKOYZFVSA-N 2 2 346.387 1.706 20 5 EDBDLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000598681517 449539843 /nfs/dbraw/zinc/53/98/43/449539843.db2.gz GMFHOMXKHNUDEG-SJKOYZFVSA-N 2 2 346.387 1.706 20 5 EDBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000614740801 449784701 /nfs/dbraw/zinc/78/47/01/449784701.db2.gz KSIXDNLZMRIKOX-ZDUSSCGKSA-N 2 2 330.392 1.814 20 5 EDBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000614740801 449784706 /nfs/dbraw/zinc/78/47/06/449784706.db2.gz KSIXDNLZMRIKOX-ZDUSSCGKSA-N 2 2 330.392 1.814 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609257768 449984207 /nfs/dbraw/zinc/98/42/07/449984207.db2.gz DQTRZZDRZJWLCE-HOTGVXAUSA-N 2 2 346.387 1.868 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609257768 449984213 /nfs/dbraw/zinc/98/42/13/449984213.db2.gz DQTRZZDRZJWLCE-HOTGVXAUSA-N 2 2 346.387 1.868 20 5 EDBDLP C[N@H+](CCCn1cc[nH+]c1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000767760481 580198828 /nfs/dbraw/zinc/19/88/28/580198828.db2.gz XPACCCGRGCHPGQ-UHFFFAOYSA-N 2 2 343.343 1.367 20 5 EDBDLP C[N@@H+](CCCn1cc[nH+]c1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000767760481 580198829 /nfs/dbraw/zinc/19/88/29/580198829.db2.gz XPACCCGRGCHPGQ-UHFFFAOYSA-N 2 2 343.343 1.367 20 5 EDBDLP C[N@@H+]1CC[C@]2(CC[NH+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000793742460 580854281 /nfs/dbraw/zinc/85/42/81/580854281.db2.gz GCFJZXAEMYGGGF-KRWDZBQOSA-N 2 2 342.403 1.838 20 5 EDBDLP C[N@H+]1CC[C@]2(CC[NH+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000793742460 580854282 /nfs/dbraw/zinc/85/42/82/580854282.db2.gz GCFJZXAEMYGGGF-KRWDZBQOSA-N 2 2 342.403 1.838 20 5 EDBDLP C[NH+]1CC[C@]2(CC[N@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000793742460 580854283 /nfs/dbraw/zinc/85/42/83/580854283.db2.gz GCFJZXAEMYGGGF-KRWDZBQOSA-N 2 2 342.403 1.838 20 5 EDBDLP C[NH+]1CC[C@]2(CC[N@@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000793742460 580854284 /nfs/dbraw/zinc/85/42/84/580854284.db2.gz GCFJZXAEMYGGGF-KRWDZBQOSA-N 2 2 342.403 1.838 20 5 EDBDLP C[NH+]1CC[C@@H]1CNc1nc(NC[C@@H]2CC[N@H+]2C)sc1[N+](=O)[O-] ZINC000895771686 591270246 /nfs/dbraw/zinc/27/02/46/591270246.db2.gz OTKZGMOHKRCPPK-ZJUUUORDSA-N 2 2 326.426 1.283 20 5 EDBDLP C[NH+]1CC[C@@H]1CNc1nc(NC[C@@H]2CC[N@@H+]2C)sc1[N+](=O)[O-] ZINC000895771686 591270248 /nfs/dbraw/zinc/27/02/48/591270248.db2.gz OTKZGMOHKRCPPK-ZJUUUORDSA-N 2 2 326.426 1.283 20 5 EDBDLP C[NH+]1CC[C@H]1CNc1nc(NC[C@H]2CC[N@@H+]2C)c([N+](=O)[O-])s1 ZINC000895771686 591270249 /nfs/dbraw/zinc/27/02/49/591270249.db2.gz OTKZGMOHKRCPPK-ZJUUUORDSA-N 2 2 326.426 1.283 20 5 EDBDLP C[NH+]1CC[C@H]1CNc1nc(NC[C@H]2CC[N@H+]2C)c([N+](=O)[O-])s1 ZINC000895771686 591270252 /nfs/dbraw/zinc/27/02/52/591270252.db2.gz OTKZGMOHKRCPPK-ZJUUUORDSA-N 2 2 326.426 1.283 20 5 EDBDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843364617 595088611 /nfs/dbraw/zinc/08/86/11/595088611.db2.gz MPRJCUPWJQIEFC-VHSXEESVSA-N 2 2 326.784 1.856 20 5 EDBDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843364617 595088612 /nfs/dbraw/zinc/08/86/12/595088612.db2.gz MPRJCUPWJQIEFC-VHSXEESVSA-N 2 2 326.784 1.856 20 5 EDBDLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000104070272 138299512 /nfs/dbraw/zinc/29/95/12/138299512.db2.gz PKJDDALUMFITMW-QGZVFWFLSA-N 2 2 346.431 1.551 20 5 EDBDLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000104070272 138299513 /nfs/dbraw/zinc/29/95/13/138299513.db2.gz PKJDDALUMFITMW-QGZVFWFLSA-N 2 2 346.431 1.551 20 5 EDBDLP [NH3+]CC1(O)CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000415142226 304163979 /nfs/dbraw/zinc/16/39/79/304163979.db2.gz PMUVPEXKFHVXQR-UHFFFAOYSA-N 2 2 331.319 1.482 20 5 EDBDLP CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000236682446 139028747 /nfs/dbraw/zinc/02/87/47/139028747.db2.gz OGAGKWRSQGPGQM-INIZCTEOSA-N 2 2 331.376 1.884 20 5 EDBDLP C[N@@H+]1CCC[C@H](N2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000364553298 153267848 /nfs/dbraw/zinc/26/78/48/153267848.db2.gz BNDQSDPNLSQDNN-INIZCTEOSA-N 2 2 348.447 1.685 20 5 EDBDLP C[N@H+]1CCC[C@H](N2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000364553298 153267851 /nfs/dbraw/zinc/26/78/51/153267851.db2.gz BNDQSDPNLSQDNN-INIZCTEOSA-N 2 2 348.447 1.685 20 5 EDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352519638 162226254 /nfs/dbraw/zinc/22/62/54/162226254.db2.gz QJNQANQDXKEOBZ-MRXNPFEDSA-N 2 2 334.420 1.473 20 5 EDBDLP COC(=O)COc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000414961747 447375643 /nfs/dbraw/zinc/37/56/43/447375643.db2.gz WCPWBYBWVHMSED-DGCLKSJQSA-N 2 2 337.376 1.377 20 5 EDBDLP Cn1cc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415114583 447389862 /nfs/dbraw/zinc/38/98/62/447389862.db2.gz VVGLQYLASYGLKR-INIZCTEOSA-N 2 2 345.403 1.545 20 5 EDBDLP Cn1cc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415114583 447389869 /nfs/dbraw/zinc/38/98/69/447389869.db2.gz VVGLQYLASYGLKR-INIZCTEOSA-N 2 2 345.403 1.545 20 5 EDBDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000174948305 441987378 /nfs/dbraw/zinc/98/73/78/441987378.db2.gz HMYAWYZVBNWFOG-ZDUSSCGKSA-N 2 2 334.420 1.857 20 5 EDBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000174948305 441987379 /nfs/dbraw/zinc/98/73/79/441987379.db2.gz HMYAWYZVBNWFOG-ZDUSSCGKSA-N 2 2 334.420 1.857 20 5 EDBDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000174948305 441987383 /nfs/dbraw/zinc/98/73/83/441987383.db2.gz HMYAWYZVBNWFOG-ZDUSSCGKSA-N 2 2 334.420 1.857 20 5 EDBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000174948305 441987387 /nfs/dbraw/zinc/98/73/87/441987387.db2.gz HMYAWYZVBNWFOG-ZDUSSCGKSA-N 2 2 334.420 1.857 20 5 EDBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000182652190 442800948 /nfs/dbraw/zinc/80/09/48/442800948.db2.gz FPKPLOZCBAQUEI-CQSZACIVSA-N 2 2 334.420 1.670 20 5 EDBDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000282452382 443343262 /nfs/dbraw/zinc/34/32/62/443343262.db2.gz LXJQMZZXEKEOPQ-HNNXBMFYSA-N 2 2 348.447 1.622 20 5 EDBDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000282452382 443343266 /nfs/dbraw/zinc/34/32/66/443343266.db2.gz LXJQMZZXEKEOPQ-HNNXBMFYSA-N 2 2 348.447 1.622 20 5 EDBDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000362667711 445488517 /nfs/dbraw/zinc/48/85/17/445488517.db2.gz HCQIFQBMVODKCM-AWEZNQCLSA-N 2 2 336.367 1.130 20 5 EDBDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000362667711 445488521 /nfs/dbraw/zinc/48/85/21/445488521.db2.gz HCQIFQBMVODKCM-AWEZNQCLSA-N 2 2 336.367 1.130 20 5 EDBDLP C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCn2cc[nH+]c2C1 ZINC000366007375 445958107 /nfs/dbraw/zinc/95/81/07/445958107.db2.gz QEFCHMKSPSWBBA-LBPRGKRZSA-N 2 2 343.387 1.585 20 5 EDBDLP C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCn2cc[nH+]c2C1 ZINC000366007375 445958110 /nfs/dbraw/zinc/95/81/10/445958110.db2.gz QEFCHMKSPSWBBA-LBPRGKRZSA-N 2 2 343.387 1.585 20 5 EDBDLP Cc1cc(N2CCCO[C@H](C[NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420270881 446441175 /nfs/dbraw/zinc/44/11/75/446441175.db2.gz JXFITJHXSZODPC-OAHLLOKOSA-N 2 2 343.387 1.914 20 5 EDBDLP C[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420280723 446448554 /nfs/dbraw/zinc/44/85/54/446448554.db2.gz LHKJSFVNXGUWPL-ZBFHGGJFSA-N 2 2 348.447 1.848 20 5 EDBDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575815230 447905835 /nfs/dbraw/zinc/90/58/35/447905835.db2.gz DZTLRRKWCRIVQJ-ZBFHGGJFSA-N 2 2 332.404 1.512 20 5 EDBDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575815230 447905837 /nfs/dbraw/zinc/90/58/37/447905837.db2.gz DZTLRRKWCRIVQJ-ZBFHGGJFSA-N 2 2 332.404 1.512 20 5 EDBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000592246949 448761865 /nfs/dbraw/zinc/76/18/65/448761865.db2.gz MZABNXLSIZFKFE-OCCSQVGLSA-N 2 2 341.371 1.605 20 5 EDBDLP COCC[N@H+](C)C[C@@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000567752617 448752577 /nfs/dbraw/zinc/75/25/77/448752577.db2.gz QGSHTAVFHJVCKQ-OAHLLOKOSA-N 2 2 334.376 1.397 20 5 EDBDLP COCC[N@@H+](C)C[C@@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000567752617 448752582 /nfs/dbraw/zinc/75/25/82/448752582.db2.gz QGSHTAVFHJVCKQ-OAHLLOKOSA-N 2 2 334.376 1.397 20 5 EDBDLP CN(C(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000592471342 448851567 /nfs/dbraw/zinc/85/15/67/448851567.db2.gz XBVJSYGKITZMGH-UHFFFAOYSA-N 2 2 332.404 1.774 20 5 EDBDLP CN(C(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000592471342 448851572 /nfs/dbraw/zinc/85/15/72/448851572.db2.gz XBVJSYGKITZMGH-UHFFFAOYSA-N 2 2 332.404 1.774 20 5 EDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000597989663 449173701 /nfs/dbraw/zinc/17/37/01/449173701.db2.gz HRZFOQDNGMBBNZ-UHFFFAOYSA-N 2 2 342.827 1.862 20 5 EDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000597989663 449173706 /nfs/dbraw/zinc/17/37/06/449173706.db2.gz HRZFOQDNGMBBNZ-UHFFFAOYSA-N 2 2 342.827 1.862 20 5 EDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000600680966 449488477 /nfs/dbraw/zinc/48/84/77/449488477.db2.gz WDRIERHZHKXDIV-OAHLLOKOSA-N 2 2 346.391 1.409 20 5 EDBDLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000597701407 450207584 /nfs/dbraw/zinc/20/75/84/450207584.db2.gz SNQSPCWHMJLGBR-OCCSQVGLSA-N 2 2 343.387 1.945 20 5 EDBDLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000618567089 450247354 /nfs/dbraw/zinc/24/73/54/450247354.db2.gz SNTUWJHSKCRMCF-MRXNPFEDSA-N 2 2 332.404 1.336 20 5 EDBDLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000130390532 536362866 /nfs/dbraw/zinc/36/28/66/536362866.db2.gz XNOQYBPNYZWFTG-UHFFFAOYSA-N 2 2 343.387 1.703 20 5 EDBDLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000130390532 536362870 /nfs/dbraw/zinc/36/28/70/536362870.db2.gz XNOQYBPNYZWFTG-UHFFFAOYSA-N 2 2 343.387 1.703 20 5 EDBDLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000776277533 580413792 /nfs/dbraw/zinc/41/37/92/580413792.db2.gz QGURXYSYIKQRKL-VBQJREDUSA-N 2 2 337.420 1.717 20 5 EDBDLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000776277533 580413793 /nfs/dbraw/zinc/41/37/93/580413793.db2.gz QGURXYSYIKQRKL-VBQJREDUSA-N 2 2 337.420 1.717 20 5 EDBDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892866572 591208038 /nfs/dbraw/zinc/20/80/38/591208038.db2.gz RUOGPPTYCJHLAJ-CYBMUJFWSA-N 2 2 339.392 1.509 20 5 EDBDLP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892866572 591208040 /nfs/dbraw/zinc/20/80/40/591208040.db2.gz RUOGPPTYCJHLAJ-CYBMUJFWSA-N 2 2 339.392 1.509 20 5 EDBDLP C[C@@]([NH3+])(C(=O)N1CC[NH+](C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000870886506 596390384 /nfs/dbraw/zinc/39/03/84/596390384.db2.gz LZYAOZGCBOULOP-KRWDZBQOSA-N 2 2 332.404 1.465 20 5 EDBDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000346553039 143216127 /nfs/dbraw/zinc/21/61/27/143216127.db2.gz FSLYMOOAKBTKNT-KBPBESRZSA-N 2 2 339.440 1.555 20 5 EDBDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000346553039 143216128 /nfs/dbraw/zinc/21/61/28/143216128.db2.gz FSLYMOOAKBTKNT-KBPBESRZSA-N 2 2 339.440 1.555 20 5 EDBDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000123085128 222212640 /nfs/dbraw/zinc/21/26/40/222212640.db2.gz MZWYQDGKYBKCQD-UKRRQHHQSA-N 2 2 346.431 1.898 20 5 EDBDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000123085128 222212642 /nfs/dbraw/zinc/21/26/42/222212642.db2.gz MZWYQDGKYBKCQD-UKRRQHHQSA-N 2 2 346.431 1.898 20 5 EDBDLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[NH+]1C ZINC000123085128 222212644 /nfs/dbraw/zinc/21/26/44/222212644.db2.gz MZWYQDGKYBKCQD-UKRRQHHQSA-N 2 2 346.431 1.898 20 5 EDBDLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[NH+]1C ZINC000123085128 222212648 /nfs/dbraw/zinc/21/26/48/222212648.db2.gz MZWYQDGKYBKCQD-UKRRQHHQSA-N 2 2 346.431 1.898 20 5 EDBDLP CC(C)[NH2+]C1(CO)CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000514947685 305710834 /nfs/dbraw/zinc/71/08/34/305710834.db2.gz IBYZYFCPCXNVSD-UHFFFAOYSA-N 2 2 337.420 1.799 20 5 EDBDLP C[NH+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000449887006 447407674 /nfs/dbraw/zinc/40/76/74/447407674.db2.gz KXNIOGPOTVLUGN-CYBMUJFWSA-N 2 2 343.387 1.804 20 5 EDBDLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000268844414 443124963 /nfs/dbraw/zinc/12/49/63/443124963.db2.gz BIICNXCEVQZITO-CVEARBPZSA-N 2 2 334.420 1.975 20 5 EDBDLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000268844414 443124968 /nfs/dbraw/zinc/12/49/68/443124968.db2.gz BIICNXCEVQZITO-CVEARBPZSA-N 2 2 334.420 1.975 20 5 EDBDLP CC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000412879513 319247541 /nfs/dbraw/zinc/24/75/41/319247541.db2.gz PHYVQANVIQWEGI-ZDUSSCGKSA-N 2 2 329.360 1.605 20 5 EDBDLP CC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000412879513 319247543 /nfs/dbraw/zinc/24/75/43/319247543.db2.gz PHYVQANVIQWEGI-ZDUSSCGKSA-N 2 2 329.360 1.605 20 5 EDBDLP C[NH+]1CCC(Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447804125 320145078 /nfs/dbraw/zinc/14/50/78/320145078.db2.gz WUNVCLFTFQCKDT-UHFFFAOYSA-N 2 2 334.420 1.933 20 5 EDBDLP CC[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000288444245 443883596 /nfs/dbraw/zinc/88/35/96/443883596.db2.gz NLEIBGRGYRFQJT-CYBMUJFWSA-N 2 2 343.387 1.947 20 5 EDBDLP CC[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000288444245 443883597 /nfs/dbraw/zinc/88/35/97/443883597.db2.gz NLEIBGRGYRFQJT-CYBMUJFWSA-N 2 2 343.387 1.947 20 5 EDBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000571587363 321393353 /nfs/dbraw/zinc/39/33/53/321393353.db2.gz PUFZIOCEXKEDDB-KBPBESRZSA-N 2 2 346.387 1.558 20 5 EDBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000571587363 321393354 /nfs/dbraw/zinc/39/33/54/321393354.db2.gz PUFZIOCEXKEDDB-KBPBESRZSA-N 2 2 346.387 1.558 20 5 EDBDLP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339036795 445000426 /nfs/dbraw/zinc/00/04/26/445000426.db2.gz QLDBGNZLVYZMFF-CYBMUJFWSA-N 2 2 337.420 1.825 20 5 EDBDLP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339036795 445000429 /nfs/dbraw/zinc/00/04/29/445000429.db2.gz QLDBGNZLVYZMFF-CYBMUJFWSA-N 2 2 337.420 1.825 20 5 EDBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000360634355 445718984 /nfs/dbraw/zinc/71/89/84/445718984.db2.gz CZQYFNATHKGNFY-CQSZACIVSA-N 2 2 346.431 1.894 20 5 EDBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000360634355 445718987 /nfs/dbraw/zinc/71/89/87/445718987.db2.gz CZQYFNATHKGNFY-CQSZACIVSA-N 2 2 346.431 1.894 20 5 EDBDLP Cc1cc([N+](=O)[O-])cnc1N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374254906 446359313 /nfs/dbraw/zinc/35/93/13/446359313.db2.gz GLAXCKMFIDFGCW-AWEZNQCLSA-N 2 2 333.436 1.903 20 5 EDBDLP Cc1cc([N+](=O)[O-])cnc1N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374254906 446359319 /nfs/dbraw/zinc/35/93/19/446359319.db2.gz GLAXCKMFIDFGCW-AWEZNQCLSA-N 2 2 333.436 1.903 20 5 EDBDLP COc1ccc(OCC[N@@H+]2CCCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420393733 446569147 /nfs/dbraw/zinc/56/91/47/446569147.db2.gz QVTKSYIRQPYWNN-ZDUSSCGKSA-N 2 2 325.365 1.032 20 5 EDBDLP COc1ccc(OCC[N@H+]2CCCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420393733 446569148 /nfs/dbraw/zinc/56/91/48/446569148.db2.gz QVTKSYIRQPYWNN-ZDUSSCGKSA-N 2 2 325.365 1.032 20 5 EDBDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444666959 447116287 /nfs/dbraw/zinc/11/62/87/447116287.db2.gz UAOLOTNXWNAZOJ-UHFFFAOYSA-N 2 2 346.435 1.540 20 5 EDBDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444666959 447116296 /nfs/dbraw/zinc/11/62/96/447116296.db2.gz UAOLOTNXWNAZOJ-UHFFFAOYSA-N 2 2 346.435 1.540 20 5 EDBDLP Cc1nc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000450421384 447485351 /nfs/dbraw/zinc/48/53/51/447485351.db2.gz SOFFXUVEUDXXPQ-GFCCVEGCSA-N 2 2 334.424 1.298 20 5 EDBDLP Cc1nc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000450421384 447485359 /nfs/dbraw/zinc/48/53/59/447485359.db2.gz SOFFXUVEUDXXPQ-GFCCVEGCSA-N 2 2 334.424 1.298 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000582482566 448250530 /nfs/dbraw/zinc/25/05/30/448250530.db2.gz JFCPFMUUHZFFAW-WCQYABFASA-N 2 2 332.360 1.205 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000582482566 448250536 /nfs/dbraw/zinc/25/05/36/448250536.db2.gz JFCPFMUUHZFFAW-WCQYABFASA-N 2 2 332.360 1.205 20 5 EDBDLP Cc1ccc([C@H](C)NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000516856712 448483184 /nfs/dbraw/zinc/48/31/84/448483184.db2.gz BBKOYLAVQVUAGQ-JSGCOSHPSA-N 2 2 335.408 1.249 20 5 EDBDLP COC(=O)COc1ccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600778276 449544282 /nfs/dbraw/zinc/54/42/82/449544282.db2.gz XORMJITVWNBVGX-AAEUAGOBSA-N 2 2 337.376 1.377 20 5 EDBDLP Cc1ccc([C@H](C)[NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)cc1[N+](=O)[O-] ZINC000600712705 449510751 /nfs/dbraw/zinc/51/07/51/449510751.db2.gz ZRRPDWYYRPMVJX-SWLSCSKDSA-N 2 2 330.392 1.880 20 5 EDBDLP COc1cc[nH+]c(N2CC[NH+](CCn3c(C)ncc3[N+](=O)[O-])CC2)c1 ZINC000602771855 449795736 /nfs/dbraw/zinc/79/57/36/449795736.db2.gz HDQNLOZMTGKMSR-UHFFFAOYSA-N 2 2 346.391 1.326 20 5 EDBDLP CCC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610805634 450341630 /nfs/dbraw/zinc/34/16/30/450341630.db2.gz PCMZXRBFTMXGDP-INIZCTEOSA-N 2 2 334.420 1.800 20 5 EDBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000603910134 450376390 /nfs/dbraw/zinc/37/63/90/450376390.db2.gz JWEUHTKGKKWPGU-WXHSDQCUSA-N 2 2 329.360 1.857 20 5 EDBDLP CN1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC[N@H+](C)CC1 ZINC000897095430 591737473 /nfs/dbraw/zinc/73/74/73/591737473.db2.gz SSQSCCJTLGBDMC-UHFFFAOYSA-N 2 2 329.404 1.827 20 5 EDBDLP CN1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC[N@@H+](C)CC1 ZINC000897095430 591737478 /nfs/dbraw/zinc/73/74/78/591737478.db2.gz SSQSCCJTLGBDMC-UHFFFAOYSA-N 2 2 329.404 1.827 20 5 EDBDLP Cc1cc(N2CC[NH2+]CC[NH2+]CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000900369018 591998684 /nfs/dbraw/zinc/99/86/84/591998684.db2.gz BXQZAEKNLWISNH-UHFFFAOYSA-N 2 2 342.403 1.359 20 5 EDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869244278 596459560 /nfs/dbraw/zinc/45/95/60/596459560.db2.gz WOWDDNJDIFNUAB-UHFFFAOYSA-N 2 2 340.399 1.276 20 5 EDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869244278 596459561 /nfs/dbraw/zinc/45/95/61/596459561.db2.gz WOWDDNJDIFNUAB-UHFFFAOYSA-N 2 2 340.399 1.276 20 5 EDBDLP C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000332435128 141181592 /nfs/dbraw/zinc/18/15/92/141181592.db2.gz GMUUPKGKXWMKAD-GFCCVEGCSA-N 2 2 329.360 1.557 20 5 EDBDLP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000332435128 141181594 /nfs/dbraw/zinc/18/15/94/141181594.db2.gz GMUUPKGKXWMKAD-GFCCVEGCSA-N 2 2 329.360 1.557 20 5 EDBDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284146972 274096199 /nfs/dbraw/zinc/09/61/99/274096199.db2.gz PBQDBOPVCYZOHM-RISCZKNCSA-N 2 2 335.408 1.167 20 5 EDBDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284146972 274096200 /nfs/dbraw/zinc/09/62/00/274096200.db2.gz PBQDBOPVCYZOHM-RISCZKNCSA-N 2 2 335.408 1.167 20 5 EDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000449119989 305307233 /nfs/dbraw/zinc/30/72/33/305307233.db2.gz BOZXIQZRJLFDCC-BBRMVZONSA-N 2 2 334.420 1.455 20 5 EDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000449119989 305307234 /nfs/dbraw/zinc/30/72/34/305307234.db2.gz BOZXIQZRJLFDCC-BBRMVZONSA-N 2 2 334.420 1.455 20 5 EDBDLP Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000378356704 447420808 /nfs/dbraw/zinc/42/08/08/447420808.db2.gz AJBJQHPTCTWIGU-AWEZNQCLSA-N 2 2 333.436 1.903 20 5 EDBDLP Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000378356704 447420812 /nfs/dbraw/zinc/42/08/12/447420812.db2.gz AJBJQHPTCTWIGU-AWEZNQCLSA-N 2 2 333.436 1.903 20 5 EDBDLP CC[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000033240797 441593036 /nfs/dbraw/zinc/59/30/36/441593036.db2.gz KBDIFSLNYSCAEE-UHFFFAOYSA-N 2 2 343.387 1.995 20 5 EDBDLP C[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000179221595 442600152 /nfs/dbraw/zinc/60/01/52/442600152.db2.gz KXMQCPPSIFVOTN-BLLLJJGKSA-N 2 2 343.387 1.980 20 5 EDBDLP C[C@@]1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000273033083 443525003 /nfs/dbraw/zinc/52/50/03/443525003.db2.gz SNXTXJUIQJQBCI-QGZVFWFLSA-N 2 2 343.387 1.900 20 5 EDBDLP COCC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000564857663 321152016 /nfs/dbraw/zinc/15/20/16/321152016.db2.gz WSKWFWGDZBPWLC-CYBMUJFWSA-N 2 2 336.392 1.234 20 5 EDBDLP COCC[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000564857663 321152017 /nfs/dbraw/zinc/15/20/17/321152017.db2.gz WSKWFWGDZBPWLC-CYBMUJFWSA-N 2 2 336.392 1.234 20 5 EDBDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000581662617 322205205 /nfs/dbraw/zinc/20/52/05/322205205.db2.gz PIWONLQIUXTURQ-WFASDCNBSA-N 2 2 332.404 1.996 20 5 EDBDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000581662617 322205206 /nfs/dbraw/zinc/20/52/06/322205206.db2.gz PIWONLQIUXTURQ-WFASDCNBSA-N 2 2 332.404 1.996 20 5 EDBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339043404 445004724 /nfs/dbraw/zinc/00/47/24/445004724.db2.gz FWOHADSENHWQSW-KBRIMQKVSA-N 2 2 335.404 1.984 20 5 EDBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339043404 445004727 /nfs/dbraw/zinc/00/47/27/445004727.db2.gz FWOHADSENHWQSW-KBRIMQKVSA-N 2 2 335.404 1.984 20 5 EDBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000357080537 445414097 /nfs/dbraw/zinc/41/40/97/445414097.db2.gz MJIWDKWXBOJFFP-IHRRRGAJSA-N 2 2 332.404 1.772 20 5 EDBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000357080537 445414100 /nfs/dbraw/zinc/41/41/00/445414100.db2.gz MJIWDKWXBOJFFP-IHRRRGAJSA-N 2 2 332.404 1.772 20 5 EDBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000357080518 445414289 /nfs/dbraw/zinc/41/42/89/445414289.db2.gz MJIWDKWXBOJFFP-BFHYXJOUSA-N 2 2 332.404 1.772 20 5 EDBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000357080518 445414292 /nfs/dbraw/zinc/41/42/92/445414292.db2.gz MJIWDKWXBOJFFP-BFHYXJOUSA-N 2 2 332.404 1.772 20 5 EDBDLP C[C@@H]1[NH2+]CCC[C@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000420246046 446429597 /nfs/dbraw/zinc/42/95/97/446429597.db2.gz MQMXDACBKYUVOJ-DZGCQCFKSA-N 2 2 334.420 1.979 20 5 EDBDLP CCc1cc(NC[C@@H]2C[NH2+]C[C@@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420259124 446435977 /nfs/dbraw/zinc/43/59/77/446435977.db2.gz YKKCJOZMKXIBOV-WFASDCNBSA-N 2 2 343.387 1.028 20 5 EDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420235823 447682066 /nfs/dbraw/zinc/68/20/66/447682066.db2.gz JJADEAIEWZKNJN-IYBDPMFKSA-N 2 2 346.431 1.758 20 5 EDBDLP CCOc1ccc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430560695 447779603 /nfs/dbraw/zinc/77/96/03/447779603.db2.gz XIRAIDHZASZWGW-INIZCTEOSA-N 2 2 338.408 1.895 20 5 EDBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000592246951 448761432 /nfs/dbraw/zinc/76/14/32/448761432.db2.gz MZABNXLSIZFKFE-TZMCWYRMSA-N 2 2 341.371 1.605 20 5 EDBDLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000590442335 449163276 /nfs/dbraw/zinc/16/32/76/449163276.db2.gz FMOSZNOYPALVDQ-BBRMVZONSA-N 2 2 341.371 1.557 20 5 EDBDLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000590442335 449163279 /nfs/dbraw/zinc/16/32/79/449163279.db2.gz FMOSZNOYPALVDQ-BBRMVZONSA-N 2 2 341.371 1.557 20 5 EDBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000599062712 449713838 /nfs/dbraw/zinc/71/38/38/449713838.db2.gz QMXDYZPZJHNFJK-YOEHRIQHSA-N 2 2 348.447 1.845 20 5 EDBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000599062712 449713843 /nfs/dbraw/zinc/71/38/43/449713843.db2.gz QMXDYZPZJHNFJK-YOEHRIQHSA-N 2 2 348.447 1.845 20 5 EDBDLP C[NH+](C)CC(=O)N1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601103862 449690648 /nfs/dbraw/zinc/69/06/48/449690648.db2.gz KHTCNWIJBWSPSJ-UHFFFAOYSA-N 2 2 343.387 1.353 20 5 EDBDLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000057553210 491167020 /nfs/dbraw/zinc/16/70/20/491167020.db2.gz CYOGRZDQBWPITG-CYBMUJFWSA-N 2 2 341.371 1.747 20 5 EDBDLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000057553210 491167023 /nfs/dbraw/zinc/16/70/23/491167023.db2.gz CYOGRZDQBWPITG-CYBMUJFWSA-N 2 2 341.371 1.747 20 5 EDBDLP O=[N+]([O-])CC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000791052940 580783595 /nfs/dbraw/zinc/78/35/95/580783595.db2.gz PRSKUROLVOCWOZ-MRXNPFEDSA-N 2 2 333.436 1.192 20 5 EDBDLP O=[N+]([O-])CC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000791052940 580783596 /nfs/dbraw/zinc/78/35/96/580783596.db2.gz PRSKUROLVOCWOZ-MRXNPFEDSA-N 2 2 333.436 1.192 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879597180 597651425 /nfs/dbraw/zinc/65/14/25/597651425.db2.gz XTLOCYCUYBVQAN-UHFFFAOYSA-N 2 2 348.447 1.815 20 5 EDBDLP C[NH+]1CCN(C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000093256571 138292848 /nfs/dbraw/zinc/29/28/48/138292848.db2.gz ZCPNOMQIXLGQPZ-UHFFFAOYSA-N 2 2 332.404 1.333 20 5 EDBDLP C[NH+]1CCN(C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000093256571 138292849 /nfs/dbraw/zinc/29/28/49/138292849.db2.gz ZCPNOMQIXLGQPZ-UHFFFAOYSA-N 2 2 332.404 1.333 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000567711885 306460198 /nfs/dbraw/zinc/46/01/98/306460198.db2.gz UHZGHBJCCKGGOE-STQMWFEESA-N 2 2 332.360 1.136 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261745244 139222534 /nfs/dbraw/zinc/22/25/34/139222534.db2.gz PQFZSHAJVCUWEK-MEDUHNTESA-N 2 2 336.392 1.601 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261745244 139222535 /nfs/dbraw/zinc/22/25/35/139222535.db2.gz PQFZSHAJVCUWEK-MEDUHNTESA-N 2 2 336.392 1.601 20 5 EDBDLP COc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])cc1OC ZINC000494433739 255250745 /nfs/dbraw/zinc/25/07/45/255250745.db2.gz DXWVOOSYDPQITG-LBPRGKRZSA-N 2 2 332.360 1.913 20 5 EDBDLP CNc1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000530893578 305948909 /nfs/dbraw/zinc/94/89/09/305948909.db2.gz MDAOKQNEUJDILL-UHFFFAOYSA-N 2 2 349.435 1.392 20 5 EDBDLP O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534908225 306009372 /nfs/dbraw/zinc/00/93/72/306009372.db2.gz LCOIJBZTZTVKSH-UHFFFAOYSA-N 2 2 343.387 1.728 20 5 EDBDLP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]2C1 ZINC000193599463 442757955 /nfs/dbraw/zinc/75/79/55/442757955.db2.gz XGWOGYMMWXZHTK-DVOMOZLQSA-N 2 2 330.388 1.194 20 5 EDBDLP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]2C1 ZINC000193599463 442757956 /nfs/dbraw/zinc/75/79/56/442757956.db2.gz XGWOGYMMWXZHTK-DVOMOZLQSA-N 2 2 330.388 1.194 20 5 EDBDLP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]2C1 ZINC000193599463 442757958 /nfs/dbraw/zinc/75/79/58/442757958.db2.gz XGWOGYMMWXZHTK-DVOMOZLQSA-N 2 2 330.388 1.194 20 5 EDBDLP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]2C1 ZINC000193599463 442757960 /nfs/dbraw/zinc/75/79/60/442757960.db2.gz XGWOGYMMWXZHTK-DVOMOZLQSA-N 2 2 330.388 1.194 20 5 EDBDLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000420369293 319611644 /nfs/dbraw/zinc/61/16/44/319611644.db2.gz UXIHPEUGSQAAJK-ZDUSSCGKSA-N 2 2 338.364 1.225 20 5 EDBDLP C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448981035 320169873 /nfs/dbraw/zinc/16/98/73/320169873.db2.gz RMBNEMFSVBAVGP-CYBMUJFWSA-N 2 2 343.387 1.947 20 5 EDBDLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448981035 320169875 /nfs/dbraw/zinc/16/98/75/320169875.db2.gz RMBNEMFSVBAVGP-CYBMUJFWSA-N 2 2 343.387 1.947 20 5 EDBDLP CN(CC[N@H+](C)C1CC1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450704567 320225446 /nfs/dbraw/zinc/22/54/46/320225446.db2.gz VTLPJCVIXLZGKD-UHFFFAOYSA-N 2 2 343.387 1.947 20 5 EDBDLP CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450704567 320225448 /nfs/dbraw/zinc/22/54/48/320225448.db2.gz VTLPJCVIXLZGKD-UHFFFAOYSA-N 2 2 343.387 1.947 20 5 EDBDLP [NH3+]CC[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000282025387 444065903 /nfs/dbraw/zinc/06/59/03/444065903.db2.gz SPDYNHLCVTZFTJ-ZDUSSCGKSA-N 2 2 343.387 1.982 20 5 EDBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420315267 446480277 /nfs/dbraw/zinc/48/02/77/446480277.db2.gz WTSZJNXBSVLALT-ZBFHGGJFSA-N 2 2 346.431 1.860 20 5 EDBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420315267 446480280 /nfs/dbraw/zinc/48/02/80/446480280.db2.gz WTSZJNXBSVLALT-ZBFHGGJFSA-N 2 2 346.431 1.860 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420336677 446505764 /nfs/dbraw/zinc/50/57/64/446505764.db2.gz JAATZGYPBSEYGG-RISCZKNCSA-N 2 2 334.376 1.226 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420336677 446505767 /nfs/dbraw/zinc/50/57/67/446505767.db2.gz JAATZGYPBSEYGG-RISCZKNCSA-N 2 2 334.376 1.226 20 5 EDBDLP COc1ccc(NC(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])c1 ZINC000420357507 446537780 /nfs/dbraw/zinc/53/77/80/446537780.db2.gz DQZHBMWHDGWYCU-AWEZNQCLSA-N 2 2 336.392 1.520 20 5 EDBDLP Cc1nc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450421385 447485794 /nfs/dbraw/zinc/48/57/94/447485794.db2.gz SOFFXUVEUDXXPQ-LBPRGKRZSA-N 2 2 334.424 1.298 20 5 EDBDLP Cc1nc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450421385 447485798 /nfs/dbraw/zinc/48/57/98/447485798.db2.gz SOFFXUVEUDXXPQ-LBPRGKRZSA-N 2 2 334.424 1.298 20 5 EDBDLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000577221301 448240769 /nfs/dbraw/zinc/24/07/69/448240769.db2.gz MPXRVVOTVOIXHE-SFHVURJKSA-N 2 2 344.415 1.559 20 5 EDBDLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000577221301 448240777 /nfs/dbraw/zinc/24/07/77/448240777.db2.gz MPXRVVOTVOIXHE-SFHVURJKSA-N 2 2 344.415 1.559 20 5 EDBDLP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000566412439 448465064 /nfs/dbraw/zinc/46/50/64/448465064.db2.gz WCHWFJHEWKESEK-DGCLKSJQSA-N 2 2 329.360 1.732 20 5 EDBDLP CC[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000611088191 449165341 /nfs/dbraw/zinc/16/53/41/449165341.db2.gz JCPWYVFSFXFDMX-CYBMUJFWSA-N 2 2 343.387 1.947 20 5 EDBDLP CC[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000611088191 449165346 /nfs/dbraw/zinc/16/53/46/449165346.db2.gz JCPWYVFSFXFDMX-CYBMUJFWSA-N 2 2 343.387 1.947 20 5 EDBDLP O=[N+]([O-])c1ccc(OCC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595869746 449221120 /nfs/dbraw/zinc/22/11/20/449221120.db2.gz YBOXOPNFWOEYFM-MRXNPFEDSA-N 2 2 335.404 1.505 20 5 EDBDLP O=[N+]([O-])c1ccc(OCC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595869746 449221127 /nfs/dbraw/zinc/22/11/27/449221127.db2.gz YBOXOPNFWOEYFM-MRXNPFEDSA-N 2 2 335.404 1.505 20 5 EDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000602827093 449838387 /nfs/dbraw/zinc/83/83/87/449838387.db2.gz PQUUJQPGQQJUJK-OAHLLOKOSA-N 2 2 337.424 1.286 20 5 EDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000602827093 449838390 /nfs/dbraw/zinc/83/83/90/449838390.db2.gz PQUUJQPGQQJUJK-OAHLLOKOSA-N 2 2 337.424 1.286 20 5 EDBDLP C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000153180240 533876101 /nfs/dbraw/zinc/87/61/01/533876101.db2.gz YVUAUAWFFOKUJS-RYUDHWBXSA-N 2 2 329.360 1.603 20 5 EDBDLP O=[N+]([O-])c1ccc(-c2csc(N3CC[NH2+]CC[NH2+]CC3)n2)cc1 ZINC000900368558 591998576 /nfs/dbraw/zinc/99/85/76/591998576.db2.gz GYDYSRHRGDRWGD-UHFFFAOYSA-N 2 2 333.417 1.718 20 5 EDBDLP C[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000103462135 593303286 /nfs/dbraw/zinc/30/32/86/593303286.db2.gz JMECKVAGOYBXGK-UHFFFAOYSA-N 2 2 346.387 1.422 20 5 EDBDLP C[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000103462135 593303289 /nfs/dbraw/zinc/30/32/89/593303289.db2.gz JMECKVAGOYBXGK-UHFFFAOYSA-N 2 2 346.387 1.422 20 5 EDBDLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000843355497 595085753 /nfs/dbraw/zinc/08/57/53/595085753.db2.gz FBWMIDDNWVOGTR-CQSZACIVSA-N 2 2 326.784 1.904 20 5 EDBDLP [NH3+]CCCCCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000846217770 595176572 /nfs/dbraw/zinc/17/65/72/595176572.db2.gz AJEISWCPEGBXAX-UHFFFAOYSA-N 2 2 340.449 1.933 20 5 EDBDLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000131501578 223240754 /nfs/dbraw/zinc/24/07/54/223240754.db2.gz FOCBVJRNNHIHHV-CQSZACIVSA-N 2 2 333.335 1.598 20 5 EDBDLP COc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000415047967 304154270 /nfs/dbraw/zinc/15/42/70/304154270.db2.gz ZFWWZCWLKDNSHB-RTUWITSCSA-N 2 2 343.330 1.555 20 5 EDBDLP CC(C)C[C@H](C[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000236611546 139026871 /nfs/dbraw/zinc/02/68/71/139026871.db2.gz GYLUUEJYRVXJAY-CYBMUJFWSA-N 2 2 331.376 1.884 20 5 EDBDLP COc1ccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)o2)c([N+](=O)[O-])c1 ZINC000262065315 139247922 /nfs/dbraw/zinc/24/79/22/139247922.db2.gz AXEVLXJGQMEJPK-BDJLRTHQSA-N 2 2 347.371 1.533 20 5 EDBDLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000262917077 139312573 /nfs/dbraw/zinc/31/25/73/139312573.db2.gz ZADFOOCZMMMCRG-NWDGAFQWSA-N 2 2 329.360 1.603 20 5 EDBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000570445127 306542520 /nfs/dbraw/zinc/54/25/20/306542520.db2.gz XRQYQKWWMCXYGI-INIZCTEOSA-N 2 2 342.359 1.128 20 5 EDBDLP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000044571770 440857175 /nfs/dbraw/zinc/85/71/75/440857175.db2.gz CYTBFHYUQTYTBZ-CQSZACIVSA-N 2 2 343.387 1.995 20 5 EDBDLP CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000044571770 440857180 /nfs/dbraw/zinc/85/71/80/440857180.db2.gz CYTBFHYUQTYTBZ-CQSZACIVSA-N 2 2 343.387 1.995 20 5 EDBDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000081631807 441298175 /nfs/dbraw/zinc/29/81/75/441298175.db2.gz WXWCDQSMYNKJKR-CQSZACIVSA-N 2 2 346.431 1.857 20 5 EDBDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000081631807 441298184 /nfs/dbraw/zinc/29/81/84/441298184.db2.gz WXWCDQSMYNKJKR-CQSZACIVSA-N 2 2 346.431 1.857 20 5 EDBDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000081631807 441298186 /nfs/dbraw/zinc/29/81/86/441298186.db2.gz WXWCDQSMYNKJKR-CQSZACIVSA-N 2 2 346.431 1.857 20 5 EDBDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000081631807 441298187 /nfs/dbraw/zinc/29/81/87/441298187.db2.gz WXWCDQSMYNKJKR-CQSZACIVSA-N 2 2 346.431 1.857 20 5 EDBDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180415404 442598886 /nfs/dbraw/zinc/59/88/86/442598886.db2.gz SUQHUGOBJHIKDT-KGLIPLIRSA-N 2 2 334.420 1.798 20 5 EDBDLP Cc1c([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000268897880 443140998 /nfs/dbraw/zinc/14/09/98/443140998.db2.gz KNWUJXNKLGSALI-XJKSGUPXSA-N 2 2 334.420 1.894 20 5 EDBDLP Cc1c([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000268897880 443141001 /nfs/dbraw/zinc/14/10/01/443141001.db2.gz KNWUJXNKLGSALI-XJKSGUPXSA-N 2 2 334.420 1.894 20 5 EDBDLP C[NH2+][C@H](C)Cc1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000414647460 319335875 /nfs/dbraw/zinc/33/58/75/319335875.db2.gz QXVBITWKWZZDIE-SNVBAGLBSA-N 2 2 328.332 1.981 20 5 EDBDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298041452 444395302 /nfs/dbraw/zinc/39/53/02/444395302.db2.gz HIPVKPRZICWTHE-HNNXBMFYSA-N 2 2 333.436 1.986 20 5 EDBDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298041452 444395303 /nfs/dbraw/zinc/39/53/03/444395303.db2.gz HIPVKPRZICWTHE-HNNXBMFYSA-N 2 2 333.436 1.986 20 5 EDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]12 ZINC000351495956 446099712 /nfs/dbraw/zinc/09/97/12/446099712.db2.gz QIKAGCGYEGCNFV-MRVWCRGKSA-N 2 2 329.360 1.814 20 5 EDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]12 ZINC000351495956 446099718 /nfs/dbraw/zinc/09/97/18/446099718.db2.gz QIKAGCGYEGCNFV-MRVWCRGKSA-N 2 2 329.360 1.814 20 5 EDBDLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000442758410 446953751 /nfs/dbraw/zinc/95/37/51/446953751.db2.gz AVHFNLIXOQJTJO-UWVGGRQHSA-N 2 2 326.784 1.856 20 5 EDBDLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000442758410 446953755 /nfs/dbraw/zinc/95/37/55/446953755.db2.gz AVHFNLIXOQJTJO-UWVGGRQHSA-N 2 2 326.784 1.856 20 5 EDBDLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000578654494 448605911 /nfs/dbraw/zinc/60/59/11/448605911.db2.gz OVZRGKHOTYTFJJ-VBQJREDUSA-N 2 2 337.420 1.197 20 5 EDBDLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000578654494 448605915 /nfs/dbraw/zinc/60/59/15/448605915.db2.gz OVZRGKHOTYTFJJ-VBQJREDUSA-N 2 2 337.420 1.197 20 5 EDBDLP CC[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH3+] ZINC000592487901 448857958 /nfs/dbraw/zinc/85/79/58/448857958.db2.gz BQMFLSOQXBINRR-DOMZBBRYSA-N 2 2 332.404 1.543 20 5 EDBDLP CC[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH3+] ZINC000592487901 448857960 /nfs/dbraw/zinc/85/79/60/448857960.db2.gz BQMFLSOQXBINRR-DOMZBBRYSA-N 2 2 332.404 1.543 20 5 EDBDLP CC[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@H]1[NH3+] ZINC000592488654 448858982 /nfs/dbraw/zinc/85/89/82/448858982.db2.gz KREGSOQPJAQJJL-DAXOMENPSA-N 2 2 332.404 1.759 20 5 EDBDLP CC[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@H]1[NH3+] ZINC000592488654 448858988 /nfs/dbraw/zinc/85/89/88/448858988.db2.gz KREGSOQPJAQJJL-DAXOMENPSA-N 2 2 332.404 1.759 20 5 EDBDLP C[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1CC[NH3+] ZINC000593735725 449170747 /nfs/dbraw/zinc/17/07/47/449170747.db2.gz ZKGSYOZAWFBZFB-CZUORRHYSA-N 2 2 346.431 1.933 20 5 EDBDLP C[C@@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1CC[NH3+] ZINC000593735725 449170751 /nfs/dbraw/zinc/17/07/51/449170751.db2.gz ZKGSYOZAWFBZFB-CZUORRHYSA-N 2 2 346.431 1.933 20 5 EDBDLP C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[NH+](C)C ZINC000597993620 449178514 /nfs/dbraw/zinc/17/85/14/449178514.db2.gz UKMKDVLPFRLOFF-GFCCVEGCSA-N 2 2 331.376 1.851 20 5 EDBDLP CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000619481330 450485395 /nfs/dbraw/zinc/48/53/95/450485395.db2.gz GAKRJSPQONLBHO-ZDUSSCGKSA-N 2 2 336.440 1.700 20 5 EDBDLP CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000619481330 450485399 /nfs/dbraw/zinc/48/53/99/450485399.db2.gz GAKRJSPQONLBHO-ZDUSSCGKSA-N 2 2 336.440 1.700 20 5 EDBDLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000237363098 139049230 /nfs/dbraw/zinc/04/92/30/139049230.db2.gz GTLVLPHOUADBAC-NEPJUHHUSA-N 2 2 329.360 1.603 20 5 EDBDLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000237363122 139049264 /nfs/dbraw/zinc/04/92/64/139049264.db2.gz GTLVLPHOUADBAC-VXGBXAGGSA-N 2 2 329.360 1.603 20 5 EDBDLP O=C1[C@H]([N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000360572659 152103611 /nfs/dbraw/zinc/10/36/11/152103611.db2.gz XYBJMHOEIROAQI-WBVHZDCISA-N 2 2 330.388 1.386 20 5 EDBDLP O=C1[C@H]([N@H+]2CC[C@]3(CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000360572659 152103614 /nfs/dbraw/zinc/10/36/14/152103614.db2.gz XYBJMHOEIROAQI-WBVHZDCISA-N 2 2 330.388 1.386 20 5 EDBDLP C[NH2+]C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000430583324 305057000 /nfs/dbraw/zinc/05/70/00/305057000.db2.gz XTPVOKPGAUTACA-CYBMUJFWSA-N 2 2 336.392 1.616 20 5 EDBDLP C[NH2+]C[C@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000430583324 305057001 /nfs/dbraw/zinc/05/70/01/305057001.db2.gz XTPVOKPGAUTACA-CYBMUJFWSA-N 2 2 336.392 1.616 20 5 EDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCn1cc[nH+]c1 ZINC000447815160 305286183 /nfs/dbraw/zinc/28/61/83/305286183.db2.gz DIJPDVPDYXAHBC-UHFFFAOYSA-N 2 2 331.376 1.736 20 5 EDBDLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414963474 447375418 /nfs/dbraw/zinc/37/54/18/447375418.db2.gz KWBNCEVHKZMPIT-CYBMUJFWSA-N 2 2 330.388 1.848 20 5 EDBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000122944159 441869187 /nfs/dbraw/zinc/86/91/87/441869187.db2.gz ASTOHUQYNNTQEB-UHFFFAOYSA-N 2 2 334.420 1.693 20 5 EDBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000122944159 441869192 /nfs/dbraw/zinc/86/91/92/441869192.db2.gz ASTOHUQYNNTQEB-UHFFFAOYSA-N 2 2 334.420 1.693 20 5 EDBDLP C[NH2+]C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000178962893 442539981 /nfs/dbraw/zinc/53/99/81/442539981.db2.gz SWWPEWWXCCCUGZ-GFCCVEGCSA-N 2 2 329.360 1.462 20 5 EDBDLP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000268941418 443154535 /nfs/dbraw/zinc/15/45/35/443154535.db2.gz SVHLFYAACVUQEM-HIFRSBDPSA-N 2 2 334.420 1.894 20 5 EDBDLP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000268941418 443154537 /nfs/dbraw/zinc/15/45/37/443154537.db2.gz SVHLFYAACVUQEM-HIFRSBDPSA-N 2 2 334.420 1.894 20 5 EDBDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000282452384 443343050 /nfs/dbraw/zinc/34/30/50/443343050.db2.gz LXJQMZZXEKEOPQ-OAHLLOKOSA-N 2 2 348.447 1.622 20 5 EDBDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000282452384 443343052 /nfs/dbraw/zinc/34/30/52/443343052.db2.gz LXJQMZZXEKEOPQ-OAHLLOKOSA-N 2 2 348.447 1.622 20 5 EDBDLP Cc1cc(NC[C@H]2C[NH+]3CCN2CC3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302104640 444204375 /nfs/dbraw/zinc/20/43/75/444204375.db2.gz WVZNJXZORCKTSP-AWEZNQCLSA-N 2 2 327.388 1.863 20 5 EDBDLP Cc1cc(NC[C@H]2CN3CC[NH+]2CC3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302104640 444204376 /nfs/dbraw/zinc/20/43/76/444204376.db2.gz WVZNJXZORCKTSP-AWEZNQCLSA-N 2 2 327.388 1.863 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342114784 445179776 /nfs/dbraw/zinc/17/97/76/445179776.db2.gz WSMQTCQVHFCIDL-NWANDNLSSA-N 2 2 332.404 1.901 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342114784 445179780 /nfs/dbraw/zinc/17/97/80/445179780.db2.gz WSMQTCQVHFCIDL-NWANDNLSSA-N 2 2 332.404 1.901 20 5 EDBDLP Cc1cc(NC[C@@H]2C[NH2+]CCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420292354 446455622 /nfs/dbraw/zinc/45/56/22/446455622.db2.gz YSOGWWGPTNEZGN-AWEZNQCLSA-N 2 2 329.360 1.182 20 5 EDBDLP O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1[N+](=O)[O-] ZINC000420391473 446567431 /nfs/dbraw/zinc/56/74/31/446567431.db2.gz IJWPTCICUWGOLZ-DZGCQCFKSA-N 2 2 332.404 1.997 20 5 EDBDLP O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1[N+](=O)[O-] ZINC000420391473 446567438 /nfs/dbraw/zinc/56/74/38/446567438.db2.gz IJWPTCICUWGOLZ-DZGCQCFKSA-N 2 2 332.404 1.997 20 5 EDBDLP C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1C[NH3+] ZINC000420398275 446572142 /nfs/dbraw/zinc/57/21/42/446572142.db2.gz GUZFMGBCNCDDPX-WWGRRREGSA-N 2 2 332.404 1.617 20 5 EDBDLP C[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1C[NH3+] ZINC000420398275 446572145 /nfs/dbraw/zinc/57/21/45/446572145.db2.gz GUZFMGBCNCDDPX-WWGRRREGSA-N 2 2 332.404 1.617 20 5 EDBDLP C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCC[N@@H+]1C ZINC000450547801 447521937 /nfs/dbraw/zinc/52/19/37/447521937.db2.gz PECSUBWVKWDJGE-TZMCWYRMSA-N 2 2 343.387 1.993 20 5 EDBDLP C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCC[N@H+]1C ZINC000450547801 447521942 /nfs/dbraw/zinc/52/19/42/447521942.db2.gz PECSUBWVKWDJGE-TZMCWYRMSA-N 2 2 343.387 1.993 20 5 EDBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000532514544 448267886 /nfs/dbraw/zinc/26/78/86/448267886.db2.gz UNFSEQIOMCUJJG-CJNGLKHVSA-N 2 2 334.420 1.894 20 5 EDBDLP COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])c1 ZINC000591449303 448368199 /nfs/dbraw/zinc/36/81/99/448368199.db2.gz UTGBDQUXGIDRMA-SWLSCSKDSA-N 2 2 348.403 1.616 20 5 EDBDLP COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])c1 ZINC000591449303 448368203 /nfs/dbraw/zinc/36/82/03/448368203.db2.gz UTGBDQUXGIDRMA-SWLSCSKDSA-N 2 2 348.403 1.616 20 5 EDBDLP COCC[N@@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000519564682 448787111 /nfs/dbraw/zinc/78/71/11/448787111.db2.gz ZUTKTOOSUPKPJU-AWEZNQCLSA-N 2 2 332.404 1.929 20 5 EDBDLP COCC[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000519564682 448787115 /nfs/dbraw/zinc/78/71/15/448787115.db2.gz ZUTKTOOSUPKPJU-AWEZNQCLSA-N 2 2 332.404 1.929 20 5 EDBDLP CC[NH+]1CCC([N@@H+]2CCCN(c3c([N+](=O)[O-])ncn3C)CC2)CC1 ZINC000574746924 448945083 /nfs/dbraw/zinc/94/50/83/448945083.db2.gz PUELVZUTCYLTLZ-UHFFFAOYSA-N 2 2 336.440 1.325 20 5 EDBDLP CC[NH+]1CCC([N@H+]2CCCN(c3c([N+](=O)[O-])ncn3C)CC2)CC1 ZINC000574746924 448945089 /nfs/dbraw/zinc/94/50/89/448945089.db2.gz PUELVZUTCYLTLZ-UHFFFAOYSA-N 2 2 336.440 1.325 20 5 EDBDLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000594102689 449355559 /nfs/dbraw/zinc/35/55/59/449355559.db2.gz PUTJSUWWCLFLTE-XBXGTLAGSA-N 2 2 343.387 1.851 20 5 EDBDLP COc1ccc(OCC[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC000600742089 449528493 /nfs/dbraw/zinc/52/84/93/449528493.db2.gz AAVZQIMAMFHQSY-CALCHBBNSA-N 2 2 335.404 1.914 20 5 EDBDLP COc1ccc(OCC[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC000600742089 449528496 /nfs/dbraw/zinc/52/84/96/449528496.db2.gz AAVZQIMAMFHQSY-CALCHBBNSA-N 2 2 335.404 1.914 20 5 EDBDLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000594718544 449644815 /nfs/dbraw/zinc/64/48/15/449644815.db2.gz SFDABPCCSQXPHK-GJZGRUSLSA-N 2 2 337.420 1.797 20 5 EDBDLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000594718544 449644819 /nfs/dbraw/zinc/64/48/19/449644819.db2.gz SFDABPCCSQXPHK-GJZGRUSLSA-N 2 2 337.420 1.797 20 5 EDBDLP CN(C)c1[nH+]cc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)n1C ZINC000601150467 449719169 /nfs/dbraw/zinc/71/91/69/449719169.db2.gz XVLDPGSZWARPHJ-MRXNPFEDSA-N 2 2 333.392 1.392 20 5 EDBDLP C[NH+](C)CC1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000597706773 450210640 /nfs/dbraw/zinc/21/06/40/450210640.db2.gz ZOIKOAJJMHSLNT-UHFFFAOYSA-N 2 2 329.360 1.414 20 5 EDBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910133 450375726 /nfs/dbraw/zinc/37/57/26/450375726.db2.gz JWEUHTKGKKWPGU-WCFLWFBJSA-N 2 2 329.360 1.857 20 5 EDBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910133 450375728 /nfs/dbraw/zinc/37/57/28/450375728.db2.gz JWEUHTKGKKWPGU-WCFLWFBJSA-N 2 2 329.360 1.857 20 5 EDBDLP C[NH+](C)CC1CC[NH+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000738077325 579157588 /nfs/dbraw/zinc/15/75/88/579157588.db2.gz SHUSMNBGSOVKSF-UHFFFAOYSA-N 2 2 346.387 1.422 20 5 EDBDLP O=c1oc2cccc([N+](=O)[O-])c2n1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000794634407 580901007 /nfs/dbraw/zinc/90/10/07/580901007.db2.gz XDLPOUIYNYZWPN-UHFFFAOYSA-N 2 2 343.343 1.994 20 5 EDBDLP O=[N+]([O-])c1cc(-c2nc(N3CC[NH2+]CC3)no2)ccc1-n1cc[nH+]c1 ZINC000823309885 594183566 /nfs/dbraw/zinc/18/35/66/594183566.db2.gz NZSOQONUVHEWJW-UHFFFAOYSA-N 2 2 341.331 1.240 20 5 EDBDLP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000866722251 596310488 /nfs/dbraw/zinc/31/04/88/596310488.db2.gz WJLTUDPIPMWVPU-HIFRSBDPSA-N 2 2 348.403 1.758 20 5 EDBDLP COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000866722251 596310490 /nfs/dbraw/zinc/31/04/90/596310490.db2.gz WJLTUDPIPMWVPU-HIFRSBDPSA-N 2 2 348.403 1.758 20 5 EDBDLP C[NH2+]C[C@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420127070 290722306 /nfs/dbraw/zinc/72/23/06/290722306.db2.gz REAMMGTXZJPKKI-MRXNPFEDSA-N 2 2 348.447 1.863 20 5 EDBDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000364553300 153268037 /nfs/dbraw/zinc/26/80/37/153268037.db2.gz BNDQSDPNLSQDNN-MRXNPFEDSA-N 2 2 348.447 1.685 20 5 EDBDLP C[N@H+]1CCC[C@@H](N2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000364553300 153268040 /nfs/dbraw/zinc/26/80/40/153268040.db2.gz BNDQSDPNLSQDNN-MRXNPFEDSA-N 2 2 348.447 1.685 20 5 EDBDLP C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000338794162 288257371 /nfs/dbraw/zinc/25/73/71/288257371.db2.gz KVDKARVGTKBVEG-GASCZTMLSA-N 2 2 348.447 1.956 20 5 EDBDLP C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000338794162 288257373 /nfs/dbraw/zinc/25/73/73/288257373.db2.gz KVDKARVGTKBVEG-GASCZTMLSA-N 2 2 348.447 1.956 20 5 EDBDLP COc1cc(C[NH2+][C@H](C)C[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414930411 447360254 /nfs/dbraw/zinc/36/02/54/447360254.db2.gz OVGBMNMMXLQKSR-MRVPVSSYSA-N 2 2 337.298 1.981 20 5 EDBDLP Cc1nc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000450289423 447442942 /nfs/dbraw/zinc/44/29/42/447442942.db2.gz BPVJQBPXJGBGHJ-UHFFFAOYSA-N 2 2 334.424 1.664 20 5 EDBDLP C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000152353773 442201174 /nfs/dbraw/zinc/20/11/74/442201174.db2.gz AVKGMWFWTMGBAY-CQSZACIVSA-N 2 2 346.431 1.758 20 5 EDBDLP C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000152353773 442201177 /nfs/dbraw/zinc/20/11/77/442201177.db2.gz AVKGMWFWTMGBAY-CQSZACIVSA-N 2 2 346.431 1.758 20 5 EDBDLP C[NH+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000152353773 442201179 /nfs/dbraw/zinc/20/11/79/442201179.db2.gz AVKGMWFWTMGBAY-CQSZACIVSA-N 2 2 346.431 1.758 20 5 EDBDLP C[NH+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152353773 442201182 /nfs/dbraw/zinc/20/11/82/442201182.db2.gz AVKGMWFWTMGBAY-CQSZACIVSA-N 2 2 346.431 1.758 20 5 EDBDLP [NH3+]CC(F)(F)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000420247806 446430344 /nfs/dbraw/zinc/43/03/44/446430344.db2.gz VSIJUXMLBJDPDG-UHFFFAOYSA-N 2 2 330.335 1.433 20 5 EDBDLP COC(=O)COc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000427121840 447547418 /nfs/dbraw/zinc/54/74/18/447547418.db2.gz MGHXCMMTGHQWSH-KGLIPLIRSA-N 2 2 349.387 1.330 20 5 EDBDLP COC(=O)COc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000427121840 447547423 /nfs/dbraw/zinc/54/74/23/447547423.db2.gz MGHXCMMTGHQWSH-KGLIPLIRSA-N 2 2 349.387 1.330 20 5 EDBDLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423035104 447795573 /nfs/dbraw/zinc/79/55/73/447795573.db2.gz IVTJWAIKTXIYAC-CABCVRRESA-N 2 2 341.433 1.618 20 5 EDBDLP C[C@@H]1CC[N@H+](CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000525292623 447988801 /nfs/dbraw/zinc/98/88/01/447988801.db2.gz GUVDCFSOSJDFNC-CYBMUJFWSA-N 2 2 343.387 1.852 20 5 EDBDLP C[C@@H]1CC[N@@H+](CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000525292623 447988807 /nfs/dbraw/zinc/98/88/07/447988807.db2.gz GUVDCFSOSJDFNC-CYBMUJFWSA-N 2 2 343.387 1.852 20 5 EDBDLP O=[N+]([O-])c1ccc(CC[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000593031831 449108914 /nfs/dbraw/zinc/10/89/14/449108914.db2.gz BOQMOXXTDIMQDO-UHFFFAOYSA-N 2 2 333.432 1.964 20 5 EDBDLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)nn1 ZINC000593726777 449161188 /nfs/dbraw/zinc/16/11/88/449161188.db2.gz WGBZNNWQEYVRCQ-CYBMUJFWSA-N 2 2 332.364 1.188 20 5 EDBDLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)nn1 ZINC000593726777 449161191 /nfs/dbraw/zinc/16/11/91/449161191.db2.gz WGBZNNWQEYVRCQ-CYBMUJFWSA-N 2 2 332.364 1.188 20 5 EDBDLP C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[NH+](C)C ZINC000597993621 449177952 /nfs/dbraw/zinc/17/79/52/449177952.db2.gz UKMKDVLPFRLOFF-LBPRGKRZSA-N 2 2 331.376 1.851 20 5 EDBDLP Cn1cc[nH+]c1[C@H](NCC1([NH3+])CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000600712788 449511014 /nfs/dbraw/zinc/51/10/14/449511014.db2.gz YYEDNPUZFGMPDX-OAHLLOKOSA-N 2 2 345.403 1.515 20 5 EDBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000602836019 449845712 /nfs/dbraw/zinc/84/57/12/449845712.db2.gz CJMWVWBEKQQUEE-CYBMUJFWSA-N 2 2 337.424 1.285 20 5 EDBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000602836019 449845715 /nfs/dbraw/zinc/84/57/15/449845715.db2.gz CJMWVWBEKQQUEE-CYBMUJFWSA-N 2 2 337.424 1.285 20 5 EDBDLP COc1cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c([N+](=O)[O-])cc1OC ZINC000903954273 592395329 /nfs/dbraw/zinc/39/53/29/592395329.db2.gz CFSQXGXIDNQIPZ-LLVKDONJSA-N 2 2 345.346 1.946 20 5 EDBDLP C[N@@H+]1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000911880441 593029895 /nfs/dbraw/zinc/02/98/95/593029895.db2.gz VUUTTXUFSWNMID-NSHDSACASA-N 2 2 340.811 1.282 20 5 EDBDLP C[N@H+]1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000911880441 593029897 /nfs/dbraw/zinc/02/98/97/593029897.db2.gz VUUTTXUFSWNMID-NSHDSACASA-N 2 2 340.811 1.282 20 5 EDBDLP C[NH+](C)CCC[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000853624644 595837351 /nfs/dbraw/zinc/83/73/51/595837351.db2.gz PEDNGBMAPVMWGW-MRXNPFEDSA-N 2 2 347.419 1.945 20 5 EDBDLP C[NH+](C)CCC[C@@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000853624644 595837353 /nfs/dbraw/zinc/83/73/53/595837353.db2.gz PEDNGBMAPVMWGW-MRXNPFEDSA-N 2 2 347.419 1.945 20 5 EDBDLP CC(C)c1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000563430418 306332826 /nfs/dbraw/zinc/33/28/26/306332826.db2.gz BEYUCZVRRBHWIK-ZFWWWQNUSA-N 2 2 332.404 1.462 20 5 EDBDLP CC(C)c1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000563430418 306332827 /nfs/dbraw/zinc/33/28/27/306332827.db2.gz BEYUCZVRRBHWIK-ZFWWWQNUSA-N 2 2 332.404 1.462 20 5 EDBDLP COc1ccc(-c2ccc(C[N@H+](C)C[C@H](O)C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000415069883 304156964 /nfs/dbraw/zinc/15/69/64/304156964.db2.gz PJLWITRVTOIQQJ-LLVKDONJSA-N 2 2 335.360 1.615 20 5 EDBDLP COc1ccc(-c2ccc(C[N@@H+](C)C[C@H](O)C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000415069883 304156965 /nfs/dbraw/zinc/15/69/65/304156965.db2.gz PJLWITRVTOIQQJ-LLVKDONJSA-N 2 2 335.360 1.615 20 5 EDBDLP [NH3+]C[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000237889150 139062785 /nfs/dbraw/zinc/06/27/85/139062785.db2.gz PHUAEBKBTRCVCU-GFCCVEGCSA-N 2 2 329.360 1.591 20 5 EDBDLP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261611251 139210907 /nfs/dbraw/zinc/21/09/07/139210907.db2.gz CCUNTIDUYMCFLT-MEDUHNTESA-N 2 2 336.392 1.601 20 5 EDBDLP COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261611251 139210908 /nfs/dbraw/zinc/21/09/08/139210908.db2.gz CCUNTIDUYMCFLT-MEDUHNTESA-N 2 2 336.392 1.601 20 5 EDBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)cs2)c1 ZINC000263304799 139334660 /nfs/dbraw/zinc/33/46/60/139334660.db2.gz XQMUQUKNSHUPET-BXUZGUMPSA-N 2 2 334.401 1.388 20 5 EDBDLP C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367556040 154174783 /nfs/dbraw/zinc/17/47/83/154174783.db2.gz GBPHVDHRLYBTBI-UHFFFAOYSA-N 2 2 344.419 1.783 20 5 EDBDLP C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367556040 154174786 /nfs/dbraw/zinc/17/47/86/154174786.db2.gz GBPHVDHRLYBTBI-UHFFFAOYSA-N 2 2 344.419 1.783 20 5 EDBDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3OC)C2)CC1 ZINC000373779195 157000692 /nfs/dbraw/zinc/00/06/92/157000692.db2.gz XKNSNILLGNRLAW-KRWDZBQOSA-N 2 2 348.447 1.815 20 5 EDBDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3OC)C2)CC1 ZINC000373779195 157000697 /nfs/dbraw/zinc/00/06/97/157000697.db2.gz XKNSNILLGNRLAW-KRWDZBQOSA-N 2 2 348.447 1.815 20 5 EDBDLP CCOc1ccc(NC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000430568424 305056220 /nfs/dbraw/zinc/05/62/20/305056220.db2.gz CEGNOMKTAFNWHH-MRXNPFEDSA-N 2 2 336.392 1.649 20 5 EDBDLP CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448554481 305298283 /nfs/dbraw/zinc/29/82/83/305298283.db2.gz HQRQWESSAZOHCP-UHFFFAOYSA-N 2 2 329.360 1.558 20 5 EDBDLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000175688344 442106460 /nfs/dbraw/zinc/10/64/60/442106460.db2.gz GVKWBVNYVWUOGS-UHFFFAOYSA-N 2 2 349.435 1.420 20 5 EDBDLP C[NH2+][C@@H](C)Cc1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000414647455 319335979 /nfs/dbraw/zinc/33/59/79/319335979.db2.gz QXVBITWKWZZDIE-JTQLQIEISA-N 2 2 328.332 1.981 20 5 EDBDLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349661368 445638861 /nfs/dbraw/zinc/63/88/61/445638861.db2.gz FSIVYVURUJXUNK-WFASDCNBSA-N 2 2 341.433 1.298 20 5 EDBDLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349661368 445638864 /nfs/dbraw/zinc/63/88/64/445638864.db2.gz FSIVYVURUJXUNK-WFASDCNBSA-N 2 2 341.433 1.298 20 5 EDBDLP COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000351493702 446096910 /nfs/dbraw/zinc/09/69/10/446096910.db2.gz NBCNHZFZJGDNNI-VTPLQMEGSA-N 2 2 348.403 1.600 20 5 EDBDLP COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000351493702 446096916 /nfs/dbraw/zinc/09/69/16/446096916.db2.gz NBCNHZFZJGDNNI-VTPLQMEGSA-N 2 2 348.403 1.600 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442780762 446964865 /nfs/dbraw/zinc/96/48/65/446964865.db2.gz LKPHIMPBUFVMLM-WOPDTQHZSA-N 2 2 336.392 1.600 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442780762 446964874 /nfs/dbraw/zinc/96/48/74/446964874.db2.gz LKPHIMPBUFVMLM-WOPDTQHZSA-N 2 2 336.392 1.600 20 5 EDBDLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1C ZINC000425336931 447121604 /nfs/dbraw/zinc/12/16/04/447121604.db2.gz MPRGTVBYYFWGTR-GFCCVEGCSA-N 2 2 345.407 1.476 20 5 EDBDLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1C ZINC000425336931 447121605 /nfs/dbraw/zinc/12/16/05/447121605.db2.gz MPRGTVBYYFWGTR-GFCCVEGCSA-N 2 2 345.407 1.476 20 5 EDBDLP C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000450719521 447557367 /nfs/dbraw/zinc/55/73/67/447557367.db2.gz WGPYVBBZWOLMNT-UHFFFAOYSA-N 2 2 343.387 1.947 20 5 EDBDLP [NH3+]CC1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000420179744 447658354 /nfs/dbraw/zinc/65/83/54/447658354.db2.gz FXHDYINTBHDFGF-UHFFFAOYSA-N 2 2 334.420 1.602 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000517359973 448575853 /nfs/dbraw/zinc/57/58/53/448575853.db2.gz YJXJOYTYKLJRLD-KBPBESRZSA-N 2 2 346.387 1.698 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000573111237 448546064 /nfs/dbraw/zinc/54/60/64/448546064.db2.gz OQFZBWLETQIAKG-KFWWJZLASA-N 2 2 335.404 1.551 20 5 EDBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000573111237 448546069 /nfs/dbraw/zinc/54/60/69/448546069.db2.gz OQFZBWLETQIAKG-KFWWJZLASA-N 2 2 335.404 1.551 20 5 EDBDLP COc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000592182183 448725564 /nfs/dbraw/zinc/72/55/64/448725564.db2.gz LFKAXGASZMPVAQ-UHFFFAOYSA-N 2 2 335.404 1.900 20 5 EDBDLP COc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000592182183 448725568 /nfs/dbraw/zinc/72/55/68/448725568.db2.gz LFKAXGASZMPVAQ-UHFFFAOYSA-N 2 2 335.404 1.900 20 5 EDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000592487177 448858302 /nfs/dbraw/zinc/85/83/02/448858302.db2.gz QBTYEYUICCQRMM-GUYCJALGSA-N 2 2 332.404 1.997 20 5 EDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000592487177 448858306 /nfs/dbraw/zinc/85/83/06/448858306.db2.gz QBTYEYUICCQRMM-GUYCJALGSA-N 2 2 332.404 1.997 20 5 EDBDLP CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000598342908 449358028 /nfs/dbraw/zinc/35/80/28/449358028.db2.gz OSKUMDUUTUVYIG-AWEZNQCLSA-N 2 2 343.387 1.995 20 5 EDBDLP CCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000598342908 449358031 /nfs/dbraw/zinc/35/80/31/449358031.db2.gz OSKUMDUUTUVYIG-AWEZNQCLSA-N 2 2 343.387 1.995 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000600755330 449535289 /nfs/dbraw/zinc/53/52/89/449535289.db2.gz JKRHCCZYBQVXND-IAGOWNOFSA-N 2 2 349.431 1.941 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000600755330 449535293 /nfs/dbraw/zinc/53/52/93/449535293.db2.gz JKRHCCZYBQVXND-IAGOWNOFSA-N 2 2 349.431 1.941 20 5 EDBDLP Cc1noc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000595391360 450105391 /nfs/dbraw/zinc/10/53/91/450105391.db2.gz IUWIXSJYFWNEEY-UHFFFAOYSA-N 2 2 325.413 1.349 20 5 EDBDLP Cc1noc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000595391360 450105392 /nfs/dbraw/zinc/10/53/92/450105392.db2.gz IUWIXSJYFWNEEY-UHFFFAOYSA-N 2 2 325.413 1.349 20 5 EDBDLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595461894 450158681 /nfs/dbraw/zinc/15/86/81/450158681.db2.gz QKRYGRDRLBMPJW-AWEZNQCLSA-N 2 2 325.413 1.129 20 5 EDBDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595461894 450158685 /nfs/dbraw/zinc/15/86/85/450158685.db2.gz QKRYGRDRLBMPJW-AWEZNQCLSA-N 2 2 325.413 1.129 20 5 EDBDLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595522122 450204910 /nfs/dbraw/zinc/20/49/10/450204910.db2.gz IOKOWXZDXOZOOV-UHFFFAOYSA-N 2 2 325.413 1.397 20 5 EDBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000615720662 450210940 /nfs/dbraw/zinc/21/09/40/450210940.db2.gz ISWKSBSQKJGWMN-GXDHUFHOSA-N 2 2 332.404 1.362 20 5 EDBDLP O=[N+]([O-])c1ccc(Br)cc1N1CC[NH2+]CC[NH2+]CC1 ZINC000900370135 591999439 /nfs/dbraw/zinc/99/94/39/591999439.db2.gz UQCVSAQYBSHWDS-UHFFFAOYSA-N 2 2 329.198 1.357 20 5 EDBDLP C[NH2+]CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000903572412 592225316 /nfs/dbraw/zinc/22/53/16/592225316.db2.gz OOYJQAUBJMMRGQ-UHFFFAOYSA-N 2 2 338.408 1.862 20 5 EDBDLP C[NH2+]CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000903572412 592225319 /nfs/dbraw/zinc/22/53/19/592225319.db2.gz OOYJQAUBJMMRGQ-UHFFFAOYSA-N 2 2 338.408 1.862 20 5 EDBDLP C[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000103462133 593303411 /nfs/dbraw/zinc/30/34/11/593303411.db2.gz RHPVSBOCEXKVKG-UHFFFAOYSA-N 2 2 346.387 1.422 20 5 EDBDLP C[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000103462133 593303413 /nfs/dbraw/zinc/30/34/13/593303413.db2.gz RHPVSBOCEXKVKG-UHFFFAOYSA-N 2 2 346.387 1.422 20 5 EDBDLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843364618 595088316 /nfs/dbraw/zinc/08/83/16/595088316.db2.gz MPRJCUPWJQIEFC-ZJUUUORDSA-N 2 2 326.784 1.856 20 5 EDBDLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843364618 595088321 /nfs/dbraw/zinc/08/83/21/595088321.db2.gz MPRJCUPWJQIEFC-ZJUUUORDSA-N 2 2 326.784 1.856 20 5 EDBDLP O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000132977506 138386414 /nfs/dbraw/zinc/38/64/14/138386414.db2.gz PFJJAVPXOUTFNT-UHFFFAOYSA-N 2 2 334.420 1.753 20 5 EDBDLP COc1ccc(-c2ccc(C[N@H+](C)C[C@@H](O)C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000415069884 304157133 /nfs/dbraw/zinc/15/71/33/304157133.db2.gz PJLWITRVTOIQQJ-NSHDSACASA-N 2 2 335.360 1.615 20 5 EDBDLP COc1ccc(-c2ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000415069884 304157135 /nfs/dbraw/zinc/15/71/35/304157135.db2.gz PJLWITRVTOIQQJ-NSHDSACASA-N 2 2 335.360 1.615 20 5 EDBDLP O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261652255 139214712 /nfs/dbraw/zinc/21/47/12/139214712.db2.gz BCKHSMLBZABNHR-CQSZACIVSA-N 2 2 332.404 1.352 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261941070 139238799 /nfs/dbraw/zinc/23/87/99/139238799.db2.gz MVNASAFTLJQZLZ-OAGGEKHMSA-N 2 2 335.404 1.850 20 5 EDBDLP C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367454473 154129301 /nfs/dbraw/zinc/12/93/01/154129301.db2.gz QJPOSZDUNTXDHR-CQSZACIVSA-N 2 2 346.431 1.835 20 5 EDBDLP C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367454473 154129303 /nfs/dbraw/zinc/12/93/03/154129303.db2.gz QJPOSZDUNTXDHR-CQSZACIVSA-N 2 2 346.431 1.835 20 5 EDBDLP C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000447815584 305286100 /nfs/dbraw/zinc/28/61/00/305286100.db2.gz GNGSWSRIRVVXNS-KDOFPFPSSA-N 2 2 348.447 1.813 20 5 EDBDLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000124364750 441921933 /nfs/dbraw/zinc/92/19/33/441921933.db2.gz GMIQSXMBJIJEDX-OAHLLOKOSA-N 2 2 334.376 1.553 20 5 EDBDLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000124364750 441921938 /nfs/dbraw/zinc/92/19/38/441921938.db2.gz GMIQSXMBJIJEDX-OAHLLOKOSA-N 2 2 334.376 1.553 20 5 EDBDLP C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000264909900 443472516 /nfs/dbraw/zinc/47/25/16/443472516.db2.gz NEJJTVOHYZLZDD-LBPRGKRZSA-N 2 2 331.376 1.851 20 5 EDBDLP C[C@H]1CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000580155572 322014848 /nfs/dbraw/zinc/01/48/48/322014848.db2.gz SRAINANTCJBKAP-ZDUSSCGKSA-N 2 2 343.387 1.852 20 5 EDBDLP C[C@H]1CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000580155572 322014849 /nfs/dbraw/zinc/01/48/49/322014849.db2.gz SRAINANTCJBKAP-ZDUSSCGKSA-N 2 2 343.387 1.852 20 5 EDBDLP COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000342127315 444522316 /nfs/dbraw/zinc/52/23/16/444522316.db2.gz MAXJQOYYRCSHKM-YUTCNCBUSA-N 2 2 348.403 1.601 20 5 EDBDLP COc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000342127315 444522321 /nfs/dbraw/zinc/52/23/21/444522321.db2.gz MAXJQOYYRCSHKM-YUTCNCBUSA-N 2 2 348.403 1.601 20 5 EDBDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000362670389 445490505 /nfs/dbraw/zinc/49/05/05/445490505.db2.gz JZMHABWDQRRONA-QQNRWZHASA-N 2 2 344.415 1.504 20 5 EDBDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000362670389 445490506 /nfs/dbraw/zinc/49/05/06/445490506.db2.gz JZMHABWDQRRONA-QQNRWZHASA-N 2 2 344.415 1.504 20 5 EDBDLP CCc1cc(NC[C@@H]2C[NH2+]C[C@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420259122 446436456 /nfs/dbraw/zinc/43/64/56/446436456.db2.gz YKKCJOZMKXIBOV-SWLSCSKDSA-N 2 2 343.387 1.028 20 5 EDBDLP [NH3+]CC[C@@H](Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C(F)F ZINC000420264264 446438903 /nfs/dbraw/zinc/43/89/03/446438903.db2.gz OYWIOFNDWMCQES-GFCCVEGCSA-N 2 2 344.362 1.821 20 5 EDBDLP COc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])cc1OC ZINC000368230262 446724746 /nfs/dbraw/zinc/72/47/46/446724746.db2.gz WEUGTCSOVAFTQP-NSHDSACASA-N 2 2 332.360 1.982 20 5 EDBDLP COc1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])cc1OC ZINC000368230262 446724753 /nfs/dbraw/zinc/72/47/53/446724753.db2.gz WEUGTCSOVAFTQP-NSHDSACASA-N 2 2 332.360 1.982 20 5 EDBDLP C[NH+](C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000457207188 447541807 /nfs/dbraw/zinc/54/18/07/447541807.db2.gz BDJDLABJLPJUCQ-UHFFFAOYSA-N 2 2 331.376 1.851 20 5 EDBDLP Cc1c(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000569232395 448985737 /nfs/dbraw/zinc/98/57/37/448985737.db2.gz WGNQWYWPEZXQDP-ZENOOKHLSA-N 2 2 337.420 1.463 20 5 EDBDLP Cc1c(C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000569232395 448985742 /nfs/dbraw/zinc/98/57/42/448985742.db2.gz WGNQWYWPEZXQDP-ZENOOKHLSA-N 2 2 337.420 1.463 20 5 EDBDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000597942997 449152587 /nfs/dbraw/zinc/15/25/87/449152587.db2.gz SFGKFNRJQXCXCE-LBPRGKRZSA-N 2 2 338.408 1.302 20 5 EDBDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000597942997 449152591 /nfs/dbraw/zinc/15/25/91/449152591.db2.gz SFGKFNRJQXCXCE-LBPRGKRZSA-N 2 2 338.408 1.302 20 5 EDBDLP C[NH2+]CCOCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000600710389 449510047 /nfs/dbraw/zinc/51/00/47/449510047.db2.gz OEMXWEMYQMFQBB-HNNXBMFYSA-N 2 2 333.392 1.243 20 5 EDBDLP CN(C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000601334971 449843691 /nfs/dbraw/zinc/84/36/91/449843691.db2.gz PKHXEFOAGWGZBO-CJNGLKHVSA-N 2 2 332.404 1.632 20 5 EDBDLP CN(C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000601334971 449843696 /nfs/dbraw/zinc/84/36/96/449843696.db2.gz PKHXEFOAGWGZBO-CJNGLKHVSA-N 2 2 332.404 1.632 20 5 EDBDLP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000264227512 536431167 /nfs/dbraw/zinc/43/11/67/536431167.db2.gz XINLALYPSZSAGI-CYBMUJFWSA-N 2 2 343.387 1.804 20 5 EDBDLP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000264227512 536431169 /nfs/dbraw/zinc/43/11/69/536431169.db2.gz XINLALYPSZSAGI-CYBMUJFWSA-N 2 2 343.387 1.804 20 5 EDBDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765915861 580153529 /nfs/dbraw/zinc/15/35/29/580153529.db2.gz IMWZXQDMHHJNBV-SFHVURJKSA-N 2 2 347.463 1.399 20 5 EDBDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765915861 580153530 /nfs/dbraw/zinc/15/35/30/580153530.db2.gz IMWZXQDMHHJNBV-SFHVURJKSA-N 2 2 347.463 1.399 20 5 EDBDLP CC(C)[NH+]1CCC([NH+]2CCN(Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000771172759 580281698 /nfs/dbraw/zinc/28/16/98/580281698.db2.gz FPZIJRTZDQHGQU-UHFFFAOYSA-N 2 2 336.440 1.239 20 5 EDBDLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000903439729 592170173 /nfs/dbraw/zinc/17/01/73/592170173.db2.gz NDXMBPWNAGDTDP-HIFRSBDPSA-N 2 2 332.404 1.208 20 5 EDBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823306733 594183198 /nfs/dbraw/zinc/18/31/98/594183198.db2.gz XTBOKYWYQFGYTN-UHFFFAOYSA-N 2 2 328.457 1.306 20 5 EDBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823306733 594183200 /nfs/dbraw/zinc/18/32/00/594183200.db2.gz XTBOKYWYQFGYTN-UHFFFAOYSA-N 2 2 328.457 1.306 20 5 EDBDLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879580269 597642155 /nfs/dbraw/zinc/64/21/55/597642155.db2.gz GNANREPEAALKPB-KFWWJZLASA-N 2 2 335.404 1.361 20 5 EDBDLP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879580269 597642159 /nfs/dbraw/zinc/64/21/59/597642159.db2.gz GNANREPEAALKPB-KFWWJZLASA-N 2 2 335.404 1.361 20 5 EDBDLP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879580269 597642162 /nfs/dbraw/zinc/64/21/62/597642162.db2.gz GNANREPEAALKPB-KFWWJZLASA-N 2 2 335.404 1.361 20 5 EDBDLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879580269 597642165 /nfs/dbraw/zinc/64/21/65/597642165.db2.gz GNANREPEAALKPB-KFWWJZLASA-N 2 2 335.404 1.361 20 5 EDBDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 ZINC000050802323 201126151 /nfs/dbraw/zinc/12/61/51/201126151.db2.gz PPRRKEXBNAMZFB-UHFFFAOYSA-N 2 2 336.392 1.476 20 5 EDBDLP C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000247295830 139144127 /nfs/dbraw/zinc/14/41/27/139144127.db2.gz FGGGVRFUOQNUQB-MLGOLLRUSA-N 2 2 343.387 1.973 20 5 EDBDLP C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000247295830 139144128 /nfs/dbraw/zinc/14/41/28/139144128.db2.gz FGGGVRFUOQNUQB-MLGOLLRUSA-N 2 2 343.387 1.973 20 5 EDBDLP C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000264152494 139383294 /nfs/dbraw/zinc/38/32/94/139383294.db2.gz LGNNUFNRRSWMLY-CQSZACIVSA-N 2 2 343.387 1.947 20 5 EDBDLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000332444297 141182761 /nfs/dbraw/zinc/18/27/61/141182761.db2.gz JKVFQPIAZMMHBL-QWHCGFSZSA-N 2 2 343.387 1.945 20 5 EDBDLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000332444297 141182762 /nfs/dbraw/zinc/18/27/62/141182762.db2.gz JKVFQPIAZMMHBL-QWHCGFSZSA-N 2 2 343.387 1.945 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430575763 305056696 /nfs/dbraw/zinc/05/66/96/305056696.db2.gz RMCJEVNTDCEGTE-NSHDSACASA-N 2 2 338.408 1.847 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430575763 305056697 /nfs/dbraw/zinc/05/66/97/305056697.db2.gz RMCJEVNTDCEGTE-NSHDSACASA-N 2 2 338.408 1.847 20 5 EDBDLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448797472 305302027 /nfs/dbraw/zinc/30/20/27/305302027.db2.gz SXQGLRZGJSLLCR-CYBMUJFWSA-N 2 2 341.371 1.747 20 5 EDBDLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448797472 305302028 /nfs/dbraw/zinc/30/20/28/305302028.db2.gz SXQGLRZGJSLLCR-CYBMUJFWSA-N 2 2 341.371 1.747 20 5 EDBDLP C[NH+](C)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448942613 305305129 /nfs/dbraw/zinc/30/51/29/305305129.db2.gz SLAJEEGDCMDKQH-UHFFFAOYSA-N 2 2 343.387 1.947 20 5 EDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000449119991 305307226 /nfs/dbraw/zinc/30/72/26/305307226.db2.gz BOZXIQZRJLFDCC-CZUORRHYSA-N 2 2 334.420 1.455 20 5 EDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000449119991 305307227 /nfs/dbraw/zinc/30/72/27/305307227.db2.gz BOZXIQZRJLFDCC-CZUORRHYSA-N 2 2 334.420 1.455 20 5 EDBDLP COc1cc(C[NH2+]C[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414906026 447352269 /nfs/dbraw/zinc/35/22/69/447352269.db2.gz LSFDYGKVLJCJGR-SNVBAGLBSA-N 2 2 345.346 1.946 20 5 EDBDLP C[NH2+][C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000178593648 442446194 /nfs/dbraw/zinc/44/61/94/442446194.db2.gz ZWECTYPMPZIVJM-ZDUSSCGKSA-N 2 2 329.360 1.605 20 5 EDBDLP C[NH+](C)[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000580397141 322044108 /nfs/dbraw/zinc/04/41/08/322044108.db2.gz WBGKRTQQHLXCRZ-JKSUJKDBSA-N 2 2 333.392 1.045 20 5 EDBDLP CC[NH+]1CCC([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000359952405 445502520 /nfs/dbraw/zinc/50/25/20/445502520.db2.gz MDAQTNGGTWEOPY-INIZCTEOSA-N 2 2 332.404 1.774 20 5 EDBDLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000350682040 445879126 /nfs/dbraw/zinc/87/91/26/445879126.db2.gz NQSIJDKNFDLPCI-UHFFFAOYSA-N 2 2 334.420 1.581 20 5 EDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@@H]12 ZINC000351501982 446107137 /nfs/dbraw/zinc/10/71/37/446107137.db2.gz YPOIPVRPFBUUON-MRVWCRGKSA-N 2 2 329.360 1.814 20 5 EDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@@H]12 ZINC000351501982 446107144 /nfs/dbraw/zinc/10/71/44/446107144.db2.gz YPOIPVRPFBUUON-MRVWCRGKSA-N 2 2 329.360 1.814 20 5 EDBDLP C[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420280722 446448222 /nfs/dbraw/zinc/44/82/22/446448222.db2.gz LHKJSFVNXGUWPL-HOCLYGCPSA-N 2 2 348.447 1.848 20 5 EDBDLP COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000442766931 446959855 /nfs/dbraw/zinc/95/98/55/446959855.db2.gz XQVOJHOWQUOQTM-GRYCIOLGSA-N 2 2 336.392 1.600 20 5 EDBDLP COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000442766931 446959861 /nfs/dbraw/zinc/95/98/61/446959861.db2.gz XQVOJHOWQUOQTM-GRYCIOLGSA-N 2 2 336.392 1.600 20 5 EDBDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000451102914 447684002 /nfs/dbraw/zinc/68/40/02/447684002.db2.gz GACARYKWFXBLRR-UONOGXRCSA-N 2 2 334.420 1.798 20 5 EDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000575989167 447945751 /nfs/dbraw/zinc/94/57/51/447945751.db2.gz SCPPOECBJMUUGO-GUYCJALGSA-N 2 2 332.404 1.997 20 5 EDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000575989167 447945755 /nfs/dbraw/zinc/94/57/55/447945755.db2.gz SCPPOECBJMUUGO-GUYCJALGSA-N 2 2 332.404 1.997 20 5 EDBDLP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000566412436 448464653 /nfs/dbraw/zinc/46/46/53/448464653.db2.gz WCHWFJHEWKESEK-AAEUAGOBSA-N 2 2 329.360 1.732 20 5 EDBDLP O=C(CC[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000574513549 448890099 /nfs/dbraw/zinc/89/00/99/448890099.db2.gz UBEHVXXNSXYLBQ-LLVKDONJSA-N 2 2 329.360 1.794 20 5 EDBDLP O=C(CC[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000574513549 448890104 /nfs/dbraw/zinc/89/01/04/448890104.db2.gz UBEHVXXNSXYLBQ-LLVKDONJSA-N 2 2 329.360 1.794 20 5 EDBDLP Cc1ccc(NCCCNC(=O)[C@H]([NH3+])CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000593910006 449279268 /nfs/dbraw/zinc/27/92/68/449279268.db2.gz PTKFMGQAJGTYJF-CYBMUJFWSA-N 2 2 337.424 1.100 20 5 EDBDLP NC(=O)c1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000609157635 449971050 /nfs/dbraw/zinc/97/10/50/449971050.db2.gz LQCYMURTEMWUBJ-AWEZNQCLSA-N 2 2 329.360 1.727 20 5 EDBDLP NC(=O)c1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000609157635 449971054 /nfs/dbraw/zinc/97/10/54/449971054.db2.gz LQCYMURTEMWUBJ-AWEZNQCLSA-N 2 2 329.360 1.727 20 5 EDBDLP CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609559189 450051613 /nfs/dbraw/zinc/05/16/13/450051613.db2.gz AJVFVBNKCXIPKM-CQSZACIVSA-N 2 2 349.435 1.174 20 5 EDBDLP CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609559189 450051619 /nfs/dbraw/zinc/05/16/19/450051619.db2.gz AJVFVBNKCXIPKM-CQSZACIVSA-N 2 2 349.435 1.174 20 5 EDBDLP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c([N+](=O)[O-])cc1OC ZINC000903954274 592395960 /nfs/dbraw/zinc/39/59/60/592395960.db2.gz CFSQXGXIDNQIPZ-NSHDSACASA-N 2 2 345.346 1.946 20 5 EDBDLP Cc1cc(Br)cn2cc(CC[NH2+]CC[N+](=O)[O-])[nH+]c12 ZINC000905208821 592465772 /nfs/dbraw/zinc/46/57/72/592465772.db2.gz OBRRGSKTWKVRNJ-UHFFFAOYSA-N 2 2 327.182 1.814 20 5 EDBDLP C[C@@H]1C[NH2+]C[C@H]1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000905686594 592613018 /nfs/dbraw/zinc/61/30/18/592613018.db2.gz CGTWEAXGWZFHHI-HIFRSBDPSA-N 2 2 334.420 1.694 20 5 EDBDLP C[N@@H+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C[NH3+])C1 ZINC000911879865 593029833 /nfs/dbraw/zinc/02/98/33/593029833.db2.gz QGKGJNVEVKRTLL-ZDUSSCGKSA-N 2 2 340.811 1.282 20 5 EDBDLP C[N@H+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C[NH3+])C1 ZINC000911879865 593029834 /nfs/dbraw/zinc/02/98/34/593029834.db2.gz QGKGJNVEVKRTLL-ZDUSSCGKSA-N 2 2 340.811 1.282 20 5 EDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000844334594 595327429 /nfs/dbraw/zinc/32/74/29/595327429.db2.gz KFGXMODPOUWOER-QGZVFWFLSA-N 2 2 349.431 1.455 20 5 EDBDLP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000863553060 596616374 /nfs/dbraw/zinc/61/63/74/596616374.db2.gz ZXURQFVJNTYWPJ-UHFFFAOYSA-N 2 2 344.799 1.355 20 5 EDBDLP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000863553060 596616376 /nfs/dbraw/zinc/61/63/76/596616376.db2.gz ZXURQFVJNTYWPJ-UHFFFAOYSA-N 2 2 344.799 1.355 20 5 EDBDLP COCC[N@H+](CC1CC[NH+](C)CC1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000872632009 597000637 /nfs/dbraw/zinc/00/06/37/597000637.db2.gz QUNZOJAYZXSKPR-UHFFFAOYSA-N 2 2 325.413 1.347 20 5 EDBDLP COCC[N@@H+](CC1CC[NH+](C)CC1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000872632009 597000640 /nfs/dbraw/zinc/00/06/40/597000640.db2.gz QUNZOJAYZXSKPR-UHFFFAOYSA-N 2 2 325.413 1.347 20 5 EDBDLP C[NH+]1CCN(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000877746059 597552616 /nfs/dbraw/zinc/55/26/16/597552616.db2.gz GGKFVOUDCVNFBM-UHFFFAOYSA-N 2 2 336.411 1.946 20 5 EDBDLP O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000558119734 306235734 /nfs/dbraw/zinc/23/57/34/306235734.db2.gz LKNOMGITRMHYBA-UHFFFAOYSA-N 2 2 338.389 1.245 20 5 EDBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103150914 206398111 /nfs/dbraw/zinc/39/81/11/206398111.db2.gz BDWDQUUDWARESE-HNNXBMFYSA-N 2 2 346.431 1.896 20 5 EDBDLP C[C@H](O)C[N@H+](C)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000357633735 151093932 /nfs/dbraw/zinc/09/39/32/151093932.db2.gz FDAIXKPSISJCLD-AWEZNQCLSA-N 2 2 337.420 1.751 20 5 EDBDLP C[C@H](O)C[N@@H+](C)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000357633735 151093934 /nfs/dbraw/zinc/09/39/34/151093934.db2.gz FDAIXKPSISJCLD-AWEZNQCLSA-N 2 2 337.420 1.751 20 5 EDBDLP CCC[NH+]1CCC([NH+]2CCN(c3ncc([N+](=O)[O-])cn3)CC2)CC1 ZINC000371900367 156159460 /nfs/dbraw/zinc/15/94/60/156159460.db2.gz XQKXLADLBOCDBS-UHFFFAOYSA-N 2 2 334.424 1.381 20 5 EDBDLP CC1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000193355109 272991477 /nfs/dbraw/zinc/99/14/77/272991477.db2.gz ALUAHUHZWYMORB-UHFFFAOYSA-N 2 2 329.360 1.652 20 5 EDBDLP CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448917611 305304202 /nfs/dbraw/zinc/30/42/02/305304202.db2.gz LAUJFLHXNYLENX-CQSZACIVSA-N 2 2 343.387 1.995 20 5 EDBDLP CC[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448917611 305304203 /nfs/dbraw/zinc/30/42/03/305304203.db2.gz LAUJFLHXNYLENX-CQSZACIVSA-N 2 2 343.387 1.995 20 5 EDBDLP [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000160947772 441939598 /nfs/dbraw/zinc/93/95/98/441939598.db2.gz JYURGCRYVDPIAQ-STQMWFEESA-N 2 2 329.360 1.780 20 5 EDBDLP NC(=O)c1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000125283160 442004380 /nfs/dbraw/zinc/00/43/80/442004380.db2.gz NVTYYAZOGABGHI-UHFFFAOYSA-N 2 2 341.371 1.411 20 5 EDBDLP C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179251258 442605915 /nfs/dbraw/zinc/60/59/15/442605915.db2.gz UXOBDGRINVMYKA-STQMWFEESA-N 2 2 343.387 1.945 20 5 EDBDLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000181087715 442679579 /nfs/dbraw/zinc/67/95/79/442679579.db2.gz RCGJGSWQRXOMIN-UHFFFAOYSA-N 2 2 343.387 1.703 20 5 EDBDLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000181087715 442679582 /nfs/dbraw/zinc/67/95/82/442679582.db2.gz RCGJGSWQRXOMIN-UHFFFAOYSA-N 2 2 343.387 1.703 20 5 EDBDLP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182151060 442740081 /nfs/dbraw/zinc/74/00/81/442740081.db2.gz RNRMCQNRMASPHC-OAHLLOKOSA-N 2 2 337.420 1.797 20 5 EDBDLP CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448765251 320157505 /nfs/dbraw/zinc/15/75/05/320157505.db2.gz XFMGSGBPACQSRJ-ZDUSSCGKSA-N 2 2 343.387 1.852 20 5 EDBDLP CC[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448765251 320157506 /nfs/dbraw/zinc/15/75/06/320157506.db2.gz XFMGSGBPACQSRJ-ZDUSSCGKSA-N 2 2 343.387 1.852 20 5 EDBDLP C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H]1[NH+](C)C ZINC000449984630 320207497 /nfs/dbraw/zinc/20/74/97/320207497.db2.gz JBIJILFTYCHHGO-WBMJQRKESA-N 2 2 343.387 1.803 20 5 EDBDLP O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298434564 443768817 /nfs/dbraw/zinc/76/88/17/443768817.db2.gz NEGBLVAOUADURT-IAGOWNOFSA-N 2 2 335.404 1.206 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342114780 445180107 /nfs/dbraw/zinc/18/01/07/445180107.db2.gz WSMQTCQVHFCIDL-AEGPPILISA-N 2 2 332.404 1.901 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342114780 445180108 /nfs/dbraw/zinc/18/01/08/445180108.db2.gz WSMQTCQVHFCIDL-AEGPPILISA-N 2 2 332.404 1.901 20 5 EDBDLP Cn1ccnc1[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000353438768 445602534 /nfs/dbraw/zinc/60/25/34/445602534.db2.gz VLDJPKOTWPLAPF-OAHLLOKOSA-N 2 2 326.360 1.904 20 5 EDBDLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000356812650 446043321 /nfs/dbraw/zinc/04/33/21/446043321.db2.gz JMKAKLWDNUOEJK-CHWSQXEVSA-N 2 2 343.387 1.945 20 5 EDBDLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000356812650 446043326 /nfs/dbraw/zinc/04/33/26/446043326.db2.gz JMKAKLWDNUOEJK-CHWSQXEVSA-N 2 2 343.387 1.945 20 5 EDBDLP COc1ccc(NC(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c([N+](=O)[O-])c1 ZINC000420356025 446536460 /nfs/dbraw/zinc/53/64/60/446536460.db2.gz CJHGDZCSVJPWQM-GLKRBJQHSA-N 2 2 336.392 1.518 20 5 EDBDLP C[N@H+]1CC=C(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450419798 447484248 /nfs/dbraw/zinc/48/42/48/447484248.db2.gz PEGAMANDIDYEBX-UHFFFAOYSA-N 2 2 341.371 1.772 20 5 EDBDLP C[N@@H+]1CC=C(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450419798 447484258 /nfs/dbraw/zinc/48/42/58/447484258.db2.gz PEGAMANDIDYEBX-UHFFFAOYSA-N 2 2 341.371 1.772 20 5 EDBDLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591347916 448334475 /nfs/dbraw/zinc/33/44/75/448334475.db2.gz CUMYGEMEEOEXEQ-KRWDZBQOSA-N 2 2 346.431 1.726 20 5 EDBDLP COCC[N@H+](C)C[C@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000567752616 448752294 /nfs/dbraw/zinc/75/22/94/448752294.db2.gz QGSHTAVFHJVCKQ-HNNXBMFYSA-N 2 2 334.376 1.397 20 5 EDBDLP COCC[N@@H+](C)C[C@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000567752616 448752298 /nfs/dbraw/zinc/75/22/98/448752298.db2.gz QGSHTAVFHJVCKQ-HNNXBMFYSA-N 2 2 334.376 1.397 20 5 EDBDLP COC(=O)COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000575133905 449044724 /nfs/dbraw/zinc/04/47/24/449044724.db2.gz ANMQDURMIIEMLO-AAEUAGOBSA-N 2 2 337.376 1.458 20 5 EDBDLP COC(=O)COc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000575133905 449044727 /nfs/dbraw/zinc/04/47/27/449044727.db2.gz ANMQDURMIIEMLO-AAEUAGOBSA-N 2 2 337.376 1.458 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000600755337 449534924 /nfs/dbraw/zinc/53/49/24/449534924.db2.gz JKRHCCZYBQVXND-SJORKVTESA-N 2 2 349.431 1.941 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000600755337 449534933 /nfs/dbraw/zinc/53/49/33/449534933.db2.gz JKRHCCZYBQVXND-SJORKVTESA-N 2 2 349.431 1.941 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000600755328 449535512 /nfs/dbraw/zinc/53/55/12/449535512.db2.gz JKRHCCZYBQVXND-DLBZAZTESA-N 2 2 349.431 1.941 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000600755328 449535526 /nfs/dbraw/zinc/53/55/26/449535526.db2.gz JKRHCCZYBQVXND-DLBZAZTESA-N 2 2 349.431 1.941 20 5 EDBDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])[C@H](C)C1 ZINC000602814260 449828035 /nfs/dbraw/zinc/82/80/35/449828035.db2.gz YSEZUNCVABIQAE-UKRRQHHQSA-N 2 2 339.440 1.555 20 5 EDBDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])[C@H](C)C1 ZINC000602814260 449828038 /nfs/dbraw/zinc/82/80/38/449828038.db2.gz YSEZUNCVABIQAE-UKRRQHHQSA-N 2 2 339.440 1.555 20 5 EDBDLP CN(C(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000618903222 450332898 /nfs/dbraw/zinc/33/28/98/450332898.db2.gz CSBLPXKXANRTJF-UHFFFAOYSA-N 2 2 344.375 1.103 20 5 EDBDLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C2 ZINC000857085463 596154385 /nfs/dbraw/zinc/15/43/85/596154385.db2.gz LOQSINYZYWLVHT-BZNIZROVSA-N 2 2 336.367 1.876 20 5 EDBDLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C2 ZINC000857085463 596154386 /nfs/dbraw/zinc/15/43/86/596154386.db2.gz LOQSINYZYWLVHT-BZNIZROVSA-N 2 2 336.367 1.876 20 5 EDBDLP CC(C)C[NH+]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000870869094 596384247 /nfs/dbraw/zinc/38/42/47/596384247.db2.gz ZQLOTQXIHPZKOU-KRWDZBQOSA-N 2 2 334.420 1.569 20 5 EDBDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248457494 139165000 /nfs/dbraw/zinc/16/50/00/139165000.db2.gz MIOJRTBFAFFSQX-OWCLPIDISA-N 2 2 349.431 1.893 20 5 EDBDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248457494 139165001 /nfs/dbraw/zinc/16/50/01/139165001.db2.gz MIOJRTBFAFFSQX-OWCLPIDISA-N 2 2 349.431 1.893 20 5 EDBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248457494 139165002 /nfs/dbraw/zinc/16/50/02/139165002.db2.gz MIOJRTBFAFFSQX-OWCLPIDISA-N 2 2 349.431 1.893 20 5 EDBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248457494 139165003 /nfs/dbraw/zinc/16/50/03/139165003.db2.gz MIOJRTBFAFFSQX-OWCLPIDISA-N 2 2 349.431 1.893 20 5 EDBDLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000261878010 139233397 /nfs/dbraw/zinc/23/33/97/139233397.db2.gz TXXRMEYYPJHYGC-NEPJUHHUSA-N 2 2 329.360 1.590 20 5 EDBDLP COc1cc[nH+]c(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000176231322 207203198 /nfs/dbraw/zinc/20/31/98/207203198.db2.gz IMCJJHRGVNFCMP-UHFFFAOYSA-N 2 2 332.364 1.017 20 5 EDBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000344790844 143012209 /nfs/dbraw/zinc/01/22/09/143012209.db2.gz JOGRFTAKDYGDSE-WKOYGUFESA-N 2 2 346.431 1.928 20 5 EDBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000344790844 143012210 /nfs/dbraw/zinc/01/22/10/143012210.db2.gz JOGRFTAKDYGDSE-WKOYGUFESA-N 2 2 346.431 1.928 20 5 EDBDLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000430569680 305056324 /nfs/dbraw/zinc/05/63/24/305056324.db2.gz AKOCGLKDEAZJOY-AWEZNQCLSA-N 2 2 326.784 1.904 20 5 EDBDLP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430967797 305071573 /nfs/dbraw/zinc/07/15/73/305071573.db2.gz UZNVAQLFTLHGMA-UHFFFAOYSA-N 2 2 336.392 1.473 20 5 EDBDLP COCCC[N@H+](C)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447531374 305281602 /nfs/dbraw/zinc/28/16/02/305281602.db2.gz PPGMIMDQNDAYED-HUUCEWRRSA-N 2 2 339.440 1.833 20 5 EDBDLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447531374 305281603 /nfs/dbraw/zinc/28/16/03/305281603.db2.gz PPGMIMDQNDAYED-HUUCEWRRSA-N 2 2 339.440 1.833 20 5 EDBDLP C[N@H+]1C[C@H]2CN(c3cc(C[NH+]4CCOCC4)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC000447814910 305286119 /nfs/dbraw/zinc/28/61/19/305286119.db2.gz AWLNQUGGFMBZJX-IYBDPMFKSA-N 2 2 346.431 1.425 20 5 EDBDLP C[N@@H+]1C[C@H]2CN(c3cc(C[NH+]4CCOCC4)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC000447814910 305286120 /nfs/dbraw/zinc/28/61/20/305286120.db2.gz AWLNQUGGFMBZJX-IYBDPMFKSA-N 2 2 346.431 1.425 20 5 EDBDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000123085544 441875301 /nfs/dbraw/zinc/87/53/01/441875301.db2.gz MZWYQDGKYBKCQD-HIFRSBDPSA-N 2 2 346.431 1.898 20 5 EDBDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000123085544 441875305 /nfs/dbraw/zinc/87/53/05/441875305.db2.gz MZWYQDGKYBKCQD-HIFRSBDPSA-N 2 2 346.431 1.898 20 5 EDBDLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[NH+]1C ZINC000123085544 441875310 /nfs/dbraw/zinc/87/53/10/441875310.db2.gz MZWYQDGKYBKCQD-HIFRSBDPSA-N 2 2 346.431 1.898 20 5 EDBDLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[NH+]1C ZINC000123085544 441875314 /nfs/dbraw/zinc/87/53/14/441875314.db2.gz MZWYQDGKYBKCQD-HIFRSBDPSA-N 2 2 346.431 1.898 20 5 EDBDLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000179213658 442597968 /nfs/dbraw/zinc/59/79/68/442597968.db2.gz GUBNADLTFFSFKP-JSGCOSHPSA-N 2 2 343.387 1.980 20 5 EDBDLP C[NH+](C)C1CC[NH+](CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000267173076 443367413 /nfs/dbraw/zinc/36/74/13/443367413.db2.gz IKGTWCKLDRXMNW-UHFFFAOYSA-N 2 2 335.408 1.132 20 5 EDBDLP [NH3+]CC[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000282025385 444065755 /nfs/dbraw/zinc/06/57/55/444065755.db2.gz SPDYNHLCVTZFTJ-CYBMUJFWSA-N 2 2 343.387 1.982 20 5 EDBDLP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000305176556 444263225 /nfs/dbraw/zinc/26/32/25/444263225.db2.gz LPSJLJCWGUMNAP-ZWKOTPCHSA-N 2 2 348.447 1.340 20 5 EDBDLP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000305176556 444263228 /nfs/dbraw/zinc/26/32/28/444263228.db2.gz LPSJLJCWGUMNAP-ZWKOTPCHSA-N 2 2 348.447 1.340 20 5 EDBDLP Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000369275056 446040373 /nfs/dbraw/zinc/04/03/73/446040373.db2.gz VACNYKHRQFBNDR-CQSZACIVSA-N 2 2 346.431 1.802 20 5 EDBDLP Cc1c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000369275056 446040378 /nfs/dbraw/zinc/04/03/78/446040378.db2.gz VACNYKHRQFBNDR-CQSZACIVSA-N 2 2 346.431 1.802 20 5 EDBDLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@@H]12 ZINC000351501978 446107101 /nfs/dbraw/zinc/10/71/01/446107101.db2.gz YPOIPVRPFBUUON-IACUBPJLSA-N 2 2 329.360 1.814 20 5 EDBDLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@@H]12 ZINC000351501978 446107106 /nfs/dbraw/zinc/10/71/06/446107106.db2.gz YPOIPVRPFBUUON-IACUBPJLSA-N 2 2 329.360 1.814 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420342893 446515834 /nfs/dbraw/zinc/51/58/34/446515834.db2.gz QKVGYPFJWHLLLA-SWLSCSKDSA-N 2 2 348.403 1.616 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420342893 446515836 /nfs/dbraw/zinc/51/58/36/446515836.db2.gz QKVGYPFJWHLLLA-SWLSCSKDSA-N 2 2 348.403 1.616 20 5 EDBDLP C[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367174952 446519299 /nfs/dbraw/zinc/51/92/99/446519299.db2.gz XYRMWWIIRYVDTD-ZDUSSCGKSA-N 2 2 333.436 1.782 20 5 EDBDLP C[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367174952 446519306 /nfs/dbraw/zinc/51/93/06/446519306.db2.gz XYRMWWIIRYVDTD-ZDUSSCGKSA-N 2 2 333.436 1.782 20 5 EDBDLP Cc1nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ncc1[N+](=O)[O-] ZINC000450405147 447480043 /nfs/dbraw/zinc/48/00/43/447480043.db2.gz PLZHXKQGEMJDQF-YIONKMFJSA-N 2 2 346.435 1.440 20 5 EDBDLP Cc1nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ncc1[N+](=O)[O-] ZINC000450405147 447480049 /nfs/dbraw/zinc/48/00/49/447480049.db2.gz PLZHXKQGEMJDQF-YIONKMFJSA-N 2 2 346.435 1.440 20 5 EDBDLP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000431099251 447790344 /nfs/dbraw/zinc/79/03/44/447790344.db2.gz IJJFUCBXFICVJH-JTQLQIEISA-N 2 2 347.379 1.253 20 5 EDBDLP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000431099251 447790345 /nfs/dbraw/zinc/79/03/45/447790345.db2.gz IJJFUCBXFICVJH-JTQLQIEISA-N 2 2 347.379 1.253 20 5 EDBDLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)C2 ZINC000593734041 449169511 /nfs/dbraw/zinc/16/95/11/449169511.db2.gz RTZOJAYUFJZXTM-KSSFIOAISA-N 2 2 344.415 1.545 20 5 EDBDLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)C2 ZINC000593734041 449169519 /nfs/dbraw/zinc/16/95/19/449169519.db2.gz RTZOJAYUFJZXTM-KSSFIOAISA-N 2 2 344.415 1.545 20 5 EDBDLP Cn1ccnc1[C@H]([NH2+]CCOCCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000600712615 449510686 /nfs/dbraw/zinc/51/06/86/449510686.db2.gz ZARNGQLBUDGZSD-OAHLLOKOSA-N 2 2 333.392 1.373 20 5 EDBDLP C[NH2+]C1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC1 ZINC000600824791 449566207 /nfs/dbraw/zinc/56/62/07/449566207.db2.gz PODMEFPNHPTNIZ-UHFFFAOYSA-N 2 2 329.360 1.652 20 5 EDBDLP C[C@@H](CN1CC[NH+](C)CC1)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601112743 449696921 /nfs/dbraw/zinc/69/69/21/449696921.db2.gz CHROLBBUAIRKEE-ZDUSSCGKSA-N 2 2 329.404 1.613 20 5 EDBDLP C[C@@H](C[NH+]1CCN(C)CC1)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601112743 449696925 /nfs/dbraw/zinc/69/69/25/449696925.db2.gz CHROLBBUAIRKEE-ZDUSSCGKSA-N 2 2 329.404 1.613 20 5 EDBDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595461900 450158256 /nfs/dbraw/zinc/15/82/56/450158256.db2.gz QKRYGRDRLBMPJW-CQSZACIVSA-N 2 2 325.413 1.129 20 5 EDBDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595461900 450158260 /nfs/dbraw/zinc/15/82/60/450158260.db2.gz QKRYGRDRLBMPJW-CQSZACIVSA-N 2 2 325.413 1.129 20 5 EDBDLP COc1c(O)ccc(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000893031335 591259952 /nfs/dbraw/zinc/25/99/52/591259952.db2.gz VZRWLNNVQDFZEN-LBPRGKRZSA-N 2 2 339.392 1.367 20 5 EDBDLP C[C@@H]1[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895734764 591264622 /nfs/dbraw/zinc/26/46/22/591264622.db2.gz AEJYCYWOHLEYJQ-UKRRQHHQSA-N 2 2 334.420 1.932 20 5 EDBDLP C[C@@H]1[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000895734764 591264624 /nfs/dbraw/zinc/26/46/24/591264624.db2.gz AEJYCYWOHLEYJQ-UKRRQHHQSA-N 2 2 334.420 1.932 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879590484 597647353 /nfs/dbraw/zinc/64/73/53/597647353.db2.gz FDTWVXIKDPXMJJ-UHFFFAOYSA-N 2 2 348.447 1.815 20 5 EDBDLP O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261652252 139214697 /nfs/dbraw/zinc/21/46/97/139214697.db2.gz BCKHSMLBZABNHR-AWEZNQCLSA-N 2 2 332.404 1.352 20 5 EDBDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000346553045 143215986 /nfs/dbraw/zinc/21/59/86/143215986.db2.gz FSLYMOOAKBTKNT-UONOGXRCSA-N 2 2 339.440 1.555 20 5 EDBDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000346553045 143215987 /nfs/dbraw/zinc/21/59/87/143215987.db2.gz FSLYMOOAKBTKNT-UONOGXRCSA-N 2 2 339.440 1.555 20 5 EDBDLP COc1cc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)ccc1[N+](=O)[O-] ZINC000352785347 149163867 /nfs/dbraw/zinc/16/38/67/149163867.db2.gz XUWDENQQLZSTQY-UHFFFAOYSA-N 2 2 331.376 1.659 20 5 EDBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)C2)CC1 ZINC000363703998 153034239 /nfs/dbraw/zinc/03/42/39/153034239.db2.gz GSQLOTXFVNGKRO-LBPRGKRZSA-N 2 2 348.403 1.199 20 5 EDBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)C2)CC1 ZINC000363703998 153034244 /nfs/dbraw/zinc/03/42/44/153034244.db2.gz GSQLOTXFVNGKRO-LBPRGKRZSA-N 2 2 348.403 1.199 20 5 EDBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC([NH2+]C3CCCC3)CC2)c1 ZINC000377886805 158020662 /nfs/dbraw/zinc/02/06/62/158020662.db2.gz GREWSUKFQVSAOL-INIZCTEOSA-N 2 2 337.424 1.149 20 5 EDBDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)CC1 ZINC000093132660 441858980 /nfs/dbraw/zinc/85/89/80/441858980.db2.gz DRNDFEVZRVZEHF-OAHLLOKOSA-N 2 2 334.420 1.512 20 5 EDBDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)CC1 ZINC000093132660 441858983 /nfs/dbraw/zinc/85/89/83/441858983.db2.gz DRNDFEVZRVZEHF-OAHLLOKOSA-N 2 2 334.420 1.512 20 5 EDBDLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000179213644 442598501 /nfs/dbraw/zinc/59/85/01/442598501.db2.gz GUBNADLTFFSFKP-GXTWGEPZSA-N 2 2 343.387 1.980 20 5 EDBDLP C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[NH+]1CCCC1 ZINC000581052129 322128507 /nfs/dbraw/zinc/12/85/07/322128507.db2.gz NHTBQPPQMXLAHI-ZDUSSCGKSA-N 2 2 343.387 1.995 20 5 EDBDLP Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000362705837 445510910 /nfs/dbraw/zinc/51/09/10/445510910.db2.gz MOSBTYFJLXIZFQ-HNNXBMFYSA-N 2 2 346.431 1.802 20 5 EDBDLP Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000362705837 445510913 /nfs/dbraw/zinc/51/09/13/445510913.db2.gz MOSBTYFJLXIZFQ-HNNXBMFYSA-N 2 2 346.431 1.802 20 5 EDBDLP Cc1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1[N+](=O)[O-] ZINC000362672378 445490988 /nfs/dbraw/zinc/49/09/88/445490988.db2.gz MSXDQCPLGFOSOS-OAHLLOKOSA-N 2 2 332.404 1.299 20 5 EDBDLP Cc1ccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1[N+](=O)[O-] ZINC000362672378 445490992 /nfs/dbraw/zinc/49/09/92/445490992.db2.gz MSXDQCPLGFOSOS-OAHLLOKOSA-N 2 2 332.404 1.299 20 5 EDBDLP COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000351500769 446106064 /nfs/dbraw/zinc/10/60/64/446106064.db2.gz XJFTWELAEYGRER-UHTWSYAYSA-N 2 2 334.376 1.211 20 5 EDBDLP COc1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000351500769 446106069 /nfs/dbraw/zinc/10/60/69/446106069.db2.gz XJFTWELAEYGRER-UHTWSYAYSA-N 2 2 334.376 1.211 20 5 EDBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3N)C2)CC1 ZINC000372728699 447251711 /nfs/dbraw/zinc/25/17/11/447251711.db2.gz SJVSEWQIEMFGLI-LBPRGKRZSA-N 2 2 347.419 1.075 20 5 EDBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3N)C2)CC1 ZINC000372728699 447251713 /nfs/dbraw/zinc/25/17/13/447251713.db2.gz SJVSEWQIEMFGLI-LBPRGKRZSA-N 2 2 347.419 1.075 20 5 EDBDLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000422635124 447681885 /nfs/dbraw/zinc/68/18/85/447681885.db2.gz KXFDQHOUEGUTBJ-HZSPNIEDSA-N 2 2 334.420 1.863 20 5 EDBDLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000422635124 447681887 /nfs/dbraw/zinc/68/18/87/447681887.db2.gz KXFDQHOUEGUTBJ-HZSPNIEDSA-N 2 2 334.420 1.863 20 5 EDBDLP COC(=O)COc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591275608 448304258 /nfs/dbraw/zinc/30/42/58/448304258.db2.gz JMKASKJYODOPCF-CYBMUJFWSA-N 2 2 337.376 1.378 20 5 EDBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000522190459 449060891 /nfs/dbraw/zinc/06/08/91/449060891.db2.gz PFNAEZFEDSLRLD-UHFFFAOYSA-N 2 2 337.424 1.031 20 5 EDBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000522190459 449060896 /nfs/dbraw/zinc/06/08/96/449060896.db2.gz PFNAEZFEDSLRLD-UHFFFAOYSA-N 2 2 337.424 1.031 20 5 EDBDLP C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000597990503 449174906 /nfs/dbraw/zinc/17/49/06/449174906.db2.gz XKWDRWBYWHBGQG-CQSZACIVSA-N 2 2 336.436 1.698 20 5 EDBDLP C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000597990503 449174909 /nfs/dbraw/zinc/17/49/09/449174909.db2.gz XKWDRWBYWHBGQG-CQSZACIVSA-N 2 2 336.436 1.698 20 5 EDBDLP CC(C)[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598576689 449472900 /nfs/dbraw/zinc/47/29/00/449472900.db2.gz YVUJQMSLKDCGRF-AWEZNQCLSA-N 2 2 343.387 1.851 20 5 EDBDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749961709 579745574 /nfs/dbraw/zinc/74/55/74/579745574.db2.gz SZEXFAYUSUCQCR-ZDUSSCGKSA-N 2 2 332.408 1.879 20 5 EDBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749961709 579745575 /nfs/dbraw/zinc/74/55/75/579745575.db2.gz SZEXFAYUSUCQCR-ZDUSSCGKSA-N 2 2 332.408 1.879 20 5 EDBDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749961709 579745576 /nfs/dbraw/zinc/74/55/76/579745576.db2.gz SZEXFAYUSUCQCR-ZDUSSCGKSA-N 2 2 332.408 1.879 20 5 EDBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749961709 579745577 /nfs/dbraw/zinc/74/55/77/579745577.db2.gz SZEXFAYUSUCQCR-ZDUSSCGKSA-N 2 2 332.408 1.879 20 5 EDBDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000754250433 579899394 /nfs/dbraw/zinc/89/93/94/579899394.db2.gz HPLUTTVNVIWLKO-SJORKVTESA-N 2 2 337.420 1.575 20 5 EDBDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000754250433 579899395 /nfs/dbraw/zinc/89/93/95/579899395.db2.gz HPLUTTVNVIWLKO-SJORKVTESA-N 2 2 337.420 1.575 20 5 EDBDLP CC[N@H+](CCO)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000769416074 580236368 /nfs/dbraw/zinc/23/63/68/580236368.db2.gz OXYOZVSACVLADE-UHFFFAOYSA-N 2 2 336.436 1.467 20 5 EDBDLP CC[N@@H+](CCO)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000769416074 580236369 /nfs/dbraw/zinc/23/63/69/580236369.db2.gz OXYOZVSACVLADE-UHFFFAOYSA-N 2 2 336.436 1.467 20 5 EDBDLP O=C(CC[N@@H+]1CCn2c[nH+]cc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852066910 596031095 /nfs/dbraw/zinc/03/10/95/596031095.db2.gz VHXCWOLFEPHXML-UHFFFAOYSA-N 2 2 333.323 1.775 20 5 EDBDLP O=C(CC[N@H+]1CCn2c[nH+]cc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852066910 596031100 /nfs/dbraw/zinc/03/11/00/596031100.db2.gz VHXCWOLFEPHXML-UHFFFAOYSA-N 2 2 333.323 1.775 20 5 EDBDLP C[C@]([NH3+])(C(=O)N1CC[NH+](C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000870886507 596390621 /nfs/dbraw/zinc/39/06/21/596390621.db2.gz LZYAOZGCBOULOP-QGZVFWFLSA-N 2 2 332.404 1.465 20 5 EDBDLP C[NH+]1CCC(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000878201504 597586565 /nfs/dbraw/zinc/58/65/65/597586565.db2.gz BIJZNWQMZJFWKD-UHFFFAOYSA-N 2 2 346.431 1.770 20 5 EDBDLP C[NH+]1CCC(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000878201504 597586566 /nfs/dbraw/zinc/58/65/66/597586566.db2.gz BIJZNWQMZJFWKD-UHFFFAOYSA-N 2 2 346.431 1.770 20 5 EDBDLP CC[NH+]1CC[C@@H]1CNc1ncnc(NC[C@@H]2CC[N@H+]2CC)c1[N+](=O)[O-] ZINC000882959079 598116767 /nfs/dbraw/zinc/11/67/67/598116767.db2.gz UIVTXCYDYZJLKK-BETUJISGSA-N 2 2 349.439 1.397 20 5 EDBDLP CC[NH+]1CC[C@@H]1CNc1ncnc(NC[C@@H]2CC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000882959079 598116771 /nfs/dbraw/zinc/11/67/71/598116771.db2.gz UIVTXCYDYZJLKK-BETUJISGSA-N 2 2 349.439 1.397 20 5 EDBDLP CC[NH+]1CC[C@H]1CNc1ncnc(NC[C@H]2CC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000882959079 598116776 /nfs/dbraw/zinc/11/67/76/598116776.db2.gz UIVTXCYDYZJLKK-BETUJISGSA-N 2 2 349.439 1.397 20 5 EDBDLP CC[NH+]1CC[C@H]1CNc1ncnc(NC[C@H]2CC[N@H+]2CC)c1[N+](=O)[O-] ZINC000882959079 598116778 /nfs/dbraw/zinc/11/67/78/598116778.db2.gz UIVTXCYDYZJLKK-BETUJISGSA-N 2 2 349.439 1.397 20 5 EDBDLP C[NH+](C)C1CC[NH+](CCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000177124930 138723108 /nfs/dbraw/zinc/72/31/08/138723108.db2.gz GPUKSQWTXJEBKR-BQYQJAHWSA-N 2 2 346.431 1.750 20 5 EDBDLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355751441 150386475 /nfs/dbraw/zinc/38/64/75/150386475.db2.gz WDOMYCJNIQSBQP-ZDUSSCGKSA-N 2 2 325.413 1.261 20 5 EDBDLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355751441 150386477 /nfs/dbraw/zinc/38/64/77/150386477.db2.gz WDOMYCJNIQSBQP-ZDUSSCGKSA-N 2 2 325.413 1.261 20 5 EDBDLP C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000408075933 158258014 /nfs/dbraw/zinc/25/80/14/158258014.db2.gz ZOUSZEFSZGVNNT-LBPRGKRZSA-N 2 2 335.408 1.163 20 5 EDBDLP C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000408075933 158258016 /nfs/dbraw/zinc/25/80/16/158258016.db2.gz ZOUSZEFSZGVNNT-LBPRGKRZSA-N 2 2 335.408 1.163 20 5 EDBDLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000284518296 274231647 /nfs/dbraw/zinc/23/16/47/274231647.db2.gz LSDJUGBDOVRWBW-QMTHXVAHSA-N 2 2 335.389 1.499 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000430215578 305047704 /nfs/dbraw/zinc/04/77/04/305047704.db2.gz FEKQASWAOUKQMA-UHFFFAOYSA-N 2 2 336.436 1.673 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000430215578 305047705 /nfs/dbraw/zinc/04/77/05/305047705.db2.gz FEKQASWAOUKQMA-UHFFFAOYSA-N 2 2 336.436 1.673 20 5 EDBDLP CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000449945778 447417901 /nfs/dbraw/zinc/41/79/01/447417901.db2.gz RRSDHBWPJXSMRX-CQSZACIVSA-N 2 2 343.387 1.947 20 5 EDBDLP CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000449945778 447417908 /nfs/dbraw/zinc/41/79/08/447417908.db2.gz RRSDHBWPJXSMRX-CQSZACIVSA-N 2 2 343.387 1.947 20 5 EDBDLP C[NH+](C)C1CC[NH+](CCNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087455007 441492146 /nfs/dbraw/zinc/49/21/46/441492146.db2.gz RYTOBALKHBKQIM-UHFFFAOYSA-N 2 2 348.447 1.670 20 5 EDBDLP C[C@](C[NH3+])(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000179174346 442589732 /nfs/dbraw/zinc/58/97/32/442589732.db2.gz IFZXRXGRGKUZCI-MRXNPFEDSA-N 2 2 329.360 1.638 20 5 EDBDLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000193496566 442748856 /nfs/dbraw/zinc/74/88/56/442748856.db2.gz QPLQTLYRLVHXTR-WCQYABFASA-N 2 2 329.360 1.651 20 5 EDBDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268864924 443130470 /nfs/dbraw/zinc/13/04/70/443130470.db2.gz FHNLXCMDLUZQPD-DLBZAZTESA-N 2 2 332.448 1.751 20 5 EDBDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268864924 443130472 /nfs/dbraw/zinc/13/04/72/443130472.db2.gz FHNLXCMDLUZQPD-DLBZAZTESA-N 2 2 332.448 1.751 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266929035 443293970 /nfs/dbraw/zinc/29/39/70/443293970.db2.gz OCGVHZIZVHMWNZ-UHFFFAOYSA-N 2 2 331.376 1.659 20 5 EDBDLP COc1ccc(NC(=O)C[NH+]2CCC(CC[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000569491830 321328182 /nfs/dbraw/zinc/32/81/82/321328182.db2.gz CKQANRNMVPRPJK-UHFFFAOYSA-N 2 2 336.392 1.603 20 5 EDBDLP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351854777 445344504 /nfs/dbraw/zinc/34/45/04/445344504.db2.gz RMJVCAYPTMTIFD-SDDRHHMPSA-N 2 2 336.392 1.600 20 5 EDBDLP COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351854777 445344505 /nfs/dbraw/zinc/34/45/05/445344505.db2.gz RMJVCAYPTMTIFD-SDDRHHMPSA-N 2 2 336.392 1.600 20 5 EDBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000354223550 446019870 /nfs/dbraw/zinc/01/98/70/446019870.db2.gz LIKJUBLSGWKVKO-SWLSCSKDSA-N 2 2 334.420 1.998 20 5 EDBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000354223550 446019874 /nfs/dbraw/zinc/01/98/74/446019874.db2.gz LIKJUBLSGWKVKO-SWLSCSKDSA-N 2 2 334.420 1.998 20 5 EDBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000354223550 446019879 /nfs/dbraw/zinc/01/98/79/446019879.db2.gz LIKJUBLSGWKVKO-SWLSCSKDSA-N 2 2 334.420 1.998 20 5 EDBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000354223550 446019885 /nfs/dbraw/zinc/01/98/85/446019885.db2.gz LIKJUBLSGWKVKO-SWLSCSKDSA-N 2 2 334.420 1.998 20 5 EDBDLP C[C@H]([NH3+])C1CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000420294353 446457054 /nfs/dbraw/zinc/45/70/54/446457054.db2.gz OKHADAVDAJBBEY-LBPRGKRZSA-N 2 2 341.433 1.428 20 5 EDBDLP CO[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000420314738 446480394 /nfs/dbraw/zinc/48/03/94/446480394.db2.gz WFKIECOOIKMNIJ-GJZGRUSLSA-N 2 2 336.392 1.362 20 5 EDBDLP CO[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000420314738 446480397 /nfs/dbraw/zinc/48/03/97/446480397.db2.gz WFKIECOOIKMNIJ-GJZGRUSLSA-N 2 2 336.392 1.362 20 5 EDBDLP COc1ccc(OCC[N@@H+]2CCCO[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420393732 446569191 /nfs/dbraw/zinc/56/91/91/446569191.db2.gz QVTKSYIRQPYWNN-CYBMUJFWSA-N 2 2 325.365 1.032 20 5 EDBDLP COc1ccc(OCC[N@H+]2CCCO[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420393732 446569192 /nfs/dbraw/zinc/56/91/92/446569192.db2.gz QVTKSYIRQPYWNN-CYBMUJFWSA-N 2 2 325.365 1.032 20 5 EDBDLP COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000442766937 446959128 /nfs/dbraw/zinc/95/91/28/446959128.db2.gz XQVOJHOWQUOQTM-WOPDTQHZSA-N 2 2 336.392 1.600 20 5 EDBDLP COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000442766937 446959132 /nfs/dbraw/zinc/95/91/32/446959132.db2.gz XQVOJHOWQUOQTM-WOPDTQHZSA-N 2 2 336.392 1.600 20 5 EDBDLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450347179 447461851 /nfs/dbraw/zinc/46/18/51/447461851.db2.gz HFLCWLPTUHVCAX-QWHCGFSZSA-N 2 2 343.387 1.945 20 5 EDBDLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450347179 447461856 /nfs/dbraw/zinc/46/18/56/447461856.db2.gz HFLCWLPTUHVCAX-QWHCGFSZSA-N 2 2 343.387 1.945 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000582482565 448249915 /nfs/dbraw/zinc/24/99/15/448249915.db2.gz JFCPFMUUHZFFAW-DGCLKSJQSA-N 2 2 332.360 1.205 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000582482565 448249922 /nfs/dbraw/zinc/24/99/22/448249922.db2.gz JFCPFMUUHZFFAW-DGCLKSJQSA-N 2 2 332.360 1.205 20 5 EDBDLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962810 449963423 /nfs/dbraw/zinc/96/34/23/449963423.db2.gz PCWCMIWQJTVBIM-JKSUJKDBSA-N 2 2 325.409 1.093 20 5 EDBDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962810 449963428 /nfs/dbraw/zinc/96/34/28/449963428.db2.gz PCWCMIWQJTVBIM-JKSUJKDBSA-N 2 2 325.409 1.093 20 5 EDBDLP C[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H](C[NH3+])C1 ZINC000841233473 594873804 /nfs/dbraw/zinc/87/38/04/594873804.db2.gz VHXLPBVFEIAWPV-VIFPVBQESA-N 2 2 327.772 1.355 20 5 EDBDLP C[N@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H](C[NH3+])C1 ZINC000841233473 594873806 /nfs/dbraw/zinc/87/38/06/594873806.db2.gz VHXLPBVFEIAWPV-VIFPVBQESA-N 2 2 327.772 1.355 20 5 EDBDLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846941742 595341030 /nfs/dbraw/zinc/34/10/30/595341030.db2.gz XQHCSKROSLMESG-INIZCTEOSA-N 2 2 337.420 1.453 20 5 EDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000855416362 595705601 /nfs/dbraw/zinc/70/56/01/595705601.db2.gz MQIIXOWMVDYXDG-UHFFFAOYSA-N 2 2 326.372 1.347 20 5 EDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000855416362 595705604 /nfs/dbraw/zinc/70/56/04/595705604.db2.gz MQIIXOWMVDYXDG-UHFFFAOYSA-N 2 2 326.372 1.347 20 5 EDBDLP O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129690363 223081520 /nfs/dbraw/zinc/08/15/20/223081520.db2.gz ZMRSPYHSAQHJLP-HNNXBMFYSA-N 2 2 335.404 1.628 20 5 EDBDLP C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000332403328 141176239 /nfs/dbraw/zinc/17/62/39/141176239.db2.gz VLWBSEWFFXEBHL-PBHICJAKSA-N 2 2 348.447 1.758 20 5 EDBDLP C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000332403328 141176240 /nfs/dbraw/zinc/17/62/40/141176240.db2.gz VLWBSEWFFXEBHL-PBHICJAKSA-N 2 2 348.447 1.758 20 5 EDBDLP C[N@@H+]1CCN(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C(=O)C1 ZINC000374740044 157383044 /nfs/dbraw/zinc/38/30/44/157383044.db2.gz YVFXITLFJGCRPJ-UHFFFAOYSA-N 2 2 332.404 1.333 20 5 EDBDLP C[N@H+]1CCN(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C(=O)C1 ZINC000374740044 157383048 /nfs/dbraw/zinc/38/30/48/157383048.db2.gz YVFXITLFJGCRPJ-UHFFFAOYSA-N 2 2 332.404 1.333 20 5 EDBDLP O=C1[C@@H]([N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000360572656 275027888 /nfs/dbraw/zinc/02/78/88/275027888.db2.gz XYBJMHOEIROAQI-DOTOQJQBSA-N 2 2 330.388 1.386 20 5 EDBDLP O=C1[C@@H]([N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000360572656 275027889 /nfs/dbraw/zinc/02/78/89/275027889.db2.gz XYBJMHOEIROAQI-DOTOQJQBSA-N 2 2 330.388 1.386 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435231936 305137404 /nfs/dbraw/zinc/13/74/04/305137404.db2.gz HGTDKERPSCAATF-CQSZACIVSA-N 2 2 348.403 1.758 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435231936 305137405 /nfs/dbraw/zinc/13/74/05/305137405.db2.gz HGTDKERPSCAATF-CQSZACIVSA-N 2 2 348.403 1.758 20 5 EDBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000534579633 306008170 /nfs/dbraw/zinc/00/81/70/306008170.db2.gz YQVIVZAOZGHPIR-ZDUSSCGKSA-N 2 2 329.360 1.417 20 5 EDBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000534579633 306008171 /nfs/dbraw/zinc/00/81/71/306008171.db2.gz YQVIVZAOZGHPIR-ZDUSSCGKSA-N 2 2 329.360 1.417 20 5 EDBDLP C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000194744140 442946919 /nfs/dbraw/zinc/94/69/19/442946919.db2.gz REDJIPPHOLGOIG-CYBMUJFWSA-N 2 2 329.360 1.605 20 5 EDBDLP C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000194744140 442946921 /nfs/dbraw/zinc/94/69/21/442946921.db2.gz REDJIPPHOLGOIG-CYBMUJFWSA-N 2 2 329.360 1.605 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420368325 319611536 /nfs/dbraw/zinc/61/15/36/319611536.db2.gz NOQJJQJWPGZJFW-GLKRBJQHSA-N 2 2 336.392 1.518 20 5 EDBDLP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000293642146 444078223 /nfs/dbraw/zinc/07/82/23/444078223.db2.gz AZFRNCQZDLCCLU-GFCCVEGCSA-N 2 2 331.376 1.708 20 5 EDBDLP CCC[NH+]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000619153406 450418595 /nfs/dbraw/zinc/41/85/95/450418595.db2.gz DENAXBPOOIVPSK-UHFFFAOYSA-N 2 2 348.447 1.959 20 5 EDBDLP CC[N@@H+]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H]1C ZINC000619154587 450418619 /nfs/dbraw/zinc/41/86/19/450418619.db2.gz LAWJLULYGGIUAX-OAHLLOKOSA-N 2 2 348.447 1.957 20 5 EDBDLP CC[N@H+]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H]1C ZINC000619154587 450418622 /nfs/dbraw/zinc/41/86/22/450418622.db2.gz LAWJLULYGGIUAX-OAHLLOKOSA-N 2 2 348.447 1.957 20 5 EDBDLP C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000359775874 445421812 /nfs/dbraw/zinc/42/18/12/445421812.db2.gz UFFMTXDQVXVJIN-LRDDRELGSA-N 2 2 343.387 1.803 20 5 EDBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000369269733 446033795 /nfs/dbraw/zinc/03/37/95/446033795.db2.gz XJQNKVHGAIHISC-ZDUSSCGKSA-N 2 2 332.404 1.493 20 5 EDBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000369269733 446033802 /nfs/dbraw/zinc/03/38/02/446033802.db2.gz XJQNKVHGAIHISC-ZDUSSCGKSA-N 2 2 332.404 1.493 20 5 EDBDLP COCC[NH2+]CCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423317384 446486131 /nfs/dbraw/zinc/48/61/31/446486131.db2.gz AXLDZIFSSFZQRT-HNNXBMFYSA-N 2 2 333.392 1.243 20 5 EDBDLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000420357806 446537179 /nfs/dbraw/zinc/53/71/79/446537179.db2.gz DSGLGVJOIGXMPG-BHTHQVBYSA-N 2 2 332.404 1.676 20 5 EDBDLP C[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C[NH3+] ZINC000420395187 446570741 /nfs/dbraw/zinc/57/07/41/446570741.db2.gz CZUYALMVMKKVBD-OCCSQVGLSA-N 2 2 332.404 1.401 20 5 EDBDLP C[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C[NH3+] ZINC000420395187 446570745 /nfs/dbraw/zinc/57/07/45/446570745.db2.gz CZUYALMVMKKVBD-OCCSQVGLSA-N 2 2 332.404 1.401 20 5 EDBDLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000368419090 446850405 /nfs/dbraw/zinc/85/04/05/446850405.db2.gz ZYJYWCJJBLGGBC-MGPQQGTHSA-N 2 2 337.424 1.307 20 5 EDBDLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000368419090 446850409 /nfs/dbraw/zinc/85/04/09/446850409.db2.gz ZYJYWCJJBLGGBC-MGPQQGTHSA-N 2 2 337.424 1.307 20 5 EDBDLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000368419089 446850922 /nfs/dbraw/zinc/85/09/22/446850922.db2.gz ZYJYWCJJBLGGBC-MCIONIFRSA-N 2 2 337.424 1.307 20 5 EDBDLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000368419089 446850927 /nfs/dbraw/zinc/85/09/27/446850927.db2.gz ZYJYWCJJBLGGBC-MCIONIFRSA-N 2 2 337.424 1.307 20 5 EDBDLP COc1ccc(NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000442785171 446967256 /nfs/dbraw/zinc/96/72/56/446967256.db2.gz XFVPGEIYMGKKAL-FUNVUKJBSA-N 2 2 348.403 1.757 20 5 EDBDLP COc1ccc(NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000442785171 446967262 /nfs/dbraw/zinc/96/72/62/446967262.db2.gz XFVPGEIYMGKKAL-FUNVUKJBSA-N 2 2 348.403 1.757 20 5 EDBDLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423035107 447795455 /nfs/dbraw/zinc/79/54/55/447795455.db2.gz IVTJWAIKTXIYAC-LSDHHAIUSA-N 2 2 341.433 1.618 20 5 EDBDLP [NH3+]CCC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000571532601 448169606 /nfs/dbraw/zinc/16/96/06/448169606.db2.gz UZELMZDBLZZTLD-UHFFFAOYSA-N 2 2 343.387 1.982 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591448628 448366992 /nfs/dbraw/zinc/36/69/92/448366992.db2.gz KOCUGQIKXAPIKN-IUODEOHRSA-N 2 2 348.403 1.616 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591448628 448366999 /nfs/dbraw/zinc/36/69/99/448366999.db2.gz KOCUGQIKXAPIKN-IUODEOHRSA-N 2 2 348.403 1.616 20 5 EDBDLP C[N@@H+]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000591352730 448336834 /nfs/dbraw/zinc/33/68/34/448336834.db2.gz AANHUZLJEMJGKM-MRXNPFEDSA-N 2 2 349.435 1.202 20 5 EDBDLP C[N@H+]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000591352730 448336836 /nfs/dbraw/zinc/33/68/36/448336836.db2.gz AANHUZLJEMJGKM-MRXNPFEDSA-N 2 2 349.435 1.202 20 5 EDBDLP COc1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000609672751 450081961 /nfs/dbraw/zinc/08/19/61/450081961.db2.gz RAVCIOYPSKUOGC-MRXNPFEDSA-N 2 2 348.447 1.815 20 5 EDBDLP COc1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000609672751 450081965 /nfs/dbraw/zinc/08/19/65/450081965.db2.gz RAVCIOYPSKUOGC-MRXNPFEDSA-N 2 2 348.447 1.815 20 5 EDBDLP C[NH+](C)CC1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000597708839 450212541 /nfs/dbraw/zinc/21/25/41/450212541.db2.gz PNUFYANAJNKYPD-UHFFFAOYSA-N 2 2 329.360 1.414 20 5 EDBDLP C[NH2+][C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000261790624 536412329 /nfs/dbraw/zinc/41/23/29/536412329.db2.gz QHZIHIIHFGQZJV-LBPRGKRZSA-N 2 2 336.392 1.616 20 5 EDBDLP C[NH2+][C@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000261790624 536412330 /nfs/dbraw/zinc/41/23/30/536412330.db2.gz QHZIHIIHFGQZJV-LBPRGKRZSA-N 2 2 336.392 1.616 20 5 EDBDLP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000905618826 592595305 /nfs/dbraw/zinc/59/53/05/592595305.db2.gz JMTQFNRBPRLJFS-SJORKVTESA-N 2 2 335.404 1.471 20 5 EDBDLP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000905618826 592595307 /nfs/dbraw/zinc/59/53/07/592595307.db2.gz JMTQFNRBPRLJFS-SJORKVTESA-N 2 2 335.404 1.471 20 5 EDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000855416131 595705610 /nfs/dbraw/zinc/70/56/10/595705610.db2.gz HEDOLEWWUZEAOO-JXMROGBWSA-N 2 2 334.420 1.608 20 5 EDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000855416131 595705614 /nfs/dbraw/zinc/70/56/14/595705614.db2.gz HEDOLEWWUZEAOO-JXMROGBWSA-N 2 2 334.420 1.608 20 5 EDBDLP COc1ccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)o2)c([N+](=O)[O-])c1 ZINC000262065321 139247943 /nfs/dbraw/zinc/24/79/43/139247943.db2.gz AXEVLXJGQMEJPK-MEDUHNTESA-N 2 2 347.371 1.533 20 5 EDBDLP C[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000262846140 139307589 /nfs/dbraw/zinc/30/75/89/139307589.db2.gz JKUASYBJFSCQCP-WCQYABFASA-N 2 2 329.360 1.651 20 5 EDBDLP C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000424028732 252120675 /nfs/dbraw/zinc/12/06/75/252120675.db2.gz YYNNKCQKXIAQTC-OCCSQVGLSA-N 2 2 343.387 1.837 20 5 EDBDLP COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000424299627 252191449 /nfs/dbraw/zinc/19/14/49/252191449.db2.gz FFLZGTXVWXXREZ-RAIGVLPGSA-N 2 2 336.392 1.790 20 5 EDBDLP Cn1c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000332173533 141135171 /nfs/dbraw/zinc/13/51/71/141135171.db2.gz TXTXCUXYWRRMJE-UHFFFAOYSA-N 2 2 349.435 1.222 20 5 EDBDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284146974 274096212 /nfs/dbraw/zinc/09/62/12/274096212.db2.gz PBQDBOPVCYZOHM-SMDDNHRTSA-N 2 2 335.408 1.167 20 5 EDBDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284146974 274096213 /nfs/dbraw/zinc/09/62/13/274096213.db2.gz PBQDBOPVCYZOHM-SMDDNHRTSA-N 2 2 335.408 1.167 20 5 EDBDLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451548717 305352794 /nfs/dbraw/zinc/35/27/94/305352794.db2.gz NWKQAICAVHLAJL-MRXNPFEDSA-N 2 2 346.431 1.548 20 5 EDBDLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451548717 305352795 /nfs/dbraw/zinc/35/27/95/305352795.db2.gz NWKQAICAVHLAJL-MRXNPFEDSA-N 2 2 346.431 1.548 20 5 EDBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000282607174 443387571 /nfs/dbraw/zinc/38/75/71/443387571.db2.gz YNZBQAIUAIDIKM-CRAIPNDOSA-N 2 2 349.431 1.672 20 5 EDBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000282607174 443387574 /nfs/dbraw/zinc/38/75/74/443387574.db2.gz YNZBQAIUAIDIKM-CRAIPNDOSA-N 2 2 349.431 1.672 20 5 EDBDLP C[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448861302 320163048 /nfs/dbraw/zinc/16/30/48/320163048.db2.gz SMJKDGMQUAIYKT-UHFFFAOYSA-N 2 2 343.387 1.852 20 5 EDBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000571587365 321393250 /nfs/dbraw/zinc/39/32/50/321393250.db2.gz PUFZIOCEXKEDDB-UONOGXRCSA-N 2 2 346.387 1.558 20 5 EDBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000571587365 321393252 /nfs/dbraw/zinc/39/32/52/321393252.db2.gz PUFZIOCEXKEDDB-UONOGXRCSA-N 2 2 346.387 1.558 20 5 EDBDLP Cc1ccc([C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000577172364 321629262 /nfs/dbraw/zinc/62/92/62/321629262.db2.gz REKINDABTDVNTI-SJORKVTESA-N 2 2 347.419 1.353 20 5 EDBDLP C[C@@H]1[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343483377 445231499 /nfs/dbraw/zinc/23/14/99/445231499.db2.gz DRFZTRLVBUGIHE-OCCSQVGLSA-N 2 2 343.387 1.993 20 5 EDBDLP C[C@@H]1[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343483377 445231501 /nfs/dbraw/zinc/23/15/01/445231501.db2.gz DRFZTRLVBUGIHE-OCCSQVGLSA-N 2 2 343.387 1.993 20 5 EDBDLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000356812652 446042757 /nfs/dbraw/zinc/04/27/57/446042757.db2.gz JMKAKLWDNUOEJK-QWHCGFSZSA-N 2 2 343.387 1.945 20 5 EDBDLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000356812652 446042763 /nfs/dbraw/zinc/04/27/63/446042763.db2.gz JMKAKLWDNUOEJK-QWHCGFSZSA-N 2 2 343.387 1.945 20 5 EDBDLP Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000369279251 446044702 /nfs/dbraw/zinc/04/47/02/446044702.db2.gz WBGNHVNUBOLHNU-AWEZNQCLSA-N 2 2 346.431 1.802 20 5 EDBDLP C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCN(c2cccc[nH+]2)CC1 ZINC000365885424 446387661 /nfs/dbraw/zinc/38/76/61/446387661.db2.gz PPYXBFTYCXMCOB-UHFFFAOYSA-N 2 2 330.392 1.787 20 5 EDBDLP C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCN(c2cccc[nH+]2)CC1 ZINC000365885424 446387666 /nfs/dbraw/zinc/38/76/66/446387666.db2.gz PPYXBFTYCXMCOB-UHFFFAOYSA-N 2 2 330.392 1.787 20 5 EDBDLP COc1ccc(NC(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])c1 ZINC000420357509 446537337 /nfs/dbraw/zinc/53/73/37/446537337.db2.gz DQZHBMWHDGWYCU-CQSZACIVSA-N 2 2 336.392 1.520 20 5 EDBDLP COC(=O)COc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000427121841 447548081 /nfs/dbraw/zinc/54/80/81/447548081.db2.gz MGHXCMMTGHQWSH-UONOGXRCSA-N 2 2 349.387 1.330 20 5 EDBDLP COC(=O)COc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000427121841 447548087 /nfs/dbraw/zinc/54/80/87/447548087.db2.gz MGHXCMMTGHQWSH-UONOGXRCSA-N 2 2 349.387 1.330 20 5 EDBDLP C[C@@H]([NH3+])[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420232072 447680345 /nfs/dbraw/zinc/68/03/45/447680345.db2.gz LEKSOQOMHSBGKS-HIFRSBDPSA-N 2 2 334.420 1.601 20 5 EDBDLP CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1(C[NH3+])CCC1 ZINC000516760874 448469890 /nfs/dbraw/zinc/46/98/90/448469890.db2.gz CXVISXOYSVFECI-UHFFFAOYSA-N 2 2 329.360 1.734 20 5 EDBDLP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000591686221 448451098 /nfs/dbraw/zinc/45/10/98/448451098.db2.gz UXVFVWNTHZLXSL-RYUDHWBXSA-N 2 2 333.323 1.210 20 5 EDBDLP CC(C)c1n[nH]c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597990225 449174623 /nfs/dbraw/zinc/17/46/23/449174623.db2.gz SEVMVXYYSKVPPR-UHFFFAOYSA-N 2 2 340.428 1.055 20 5 EDBDLP CC(C)c1n[nH]c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597990225 449174626 /nfs/dbraw/zinc/17/46/26/449174626.db2.gz SEVMVXYYSKVPPR-UHFFFAOYSA-N 2 2 340.428 1.055 20 5 EDBDLP O=[N+]([O-])c1ccc(C[NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)c(Cl)c1 ZINC000600680842 449487982 /nfs/dbraw/zinc/48/79/82/449487982.db2.gz CZCKPTLNDKCEHH-ZDUSSCGKSA-N 2 2 336.783 1.664 20 5 EDBDLP Cn1cc[nH+]c1[C@H](NCC1([NH3+])CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000600706051 449507034 /nfs/dbraw/zinc/50/70/34/449507034.db2.gz CGWYWQAAYJFUMI-OAHLLOKOSA-N 2 2 345.403 1.515 20 5 EDBDLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000594718546 449644911 /nfs/dbraw/zinc/64/49/11/449644911.db2.gz SFDABPCCSQXPHK-LSDHHAIUSA-N 2 2 337.420 1.797 20 5 EDBDLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000594718546 449644914 /nfs/dbraw/zinc/64/49/14/449644914.db2.gz SFDABPCCSQXPHK-LSDHHAIUSA-N 2 2 337.420 1.797 20 5 EDBDLP O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CCn3cc[nH+]c3C1)OCCO2 ZINC000614580613 449694348 /nfs/dbraw/zinc/69/43/48/449694348.db2.gz HLNYETGFCYEMCU-GFCCVEGCSA-N 2 2 330.344 1.667 20 5 EDBDLP Cn1c[nH+]c(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000602689454 449751378 /nfs/dbraw/zinc/75/13/78/449751378.db2.gz UOMKGBOZKQNWEM-UHFFFAOYSA-N 2 2 330.392 1.524 20 5 EDBDLP CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609559656 450051079 /nfs/dbraw/zinc/05/10/79/450051079.db2.gz MBJAXDVNPISMQE-ZDUSSCGKSA-N 2 2 335.408 1.163 20 5 EDBDLP CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609559656 450051085 /nfs/dbraw/zinc/05/10/85/450051085.db2.gz MBJAXDVNPISMQE-ZDUSSCGKSA-N 2 2 335.408 1.163 20 5 EDBDLP Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000610240427 450158296 /nfs/dbraw/zinc/15/82/96/450158296.db2.gz HQBGISPKBFNAPM-AWEZNQCLSA-N 2 2 346.431 1.802 20 5 EDBDLP Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000610240427 450158301 /nfs/dbraw/zinc/15/83/01/450158301.db2.gz HQBGISPKBFNAPM-AWEZNQCLSA-N 2 2 346.431 1.802 20 5 EDBDLP O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000238147257 491010959 /nfs/dbraw/zinc/01/09/59/491010959.db2.gz BZHCOPAHPUMZLF-ZDUSSCGKSA-N 2 2 343.387 1.900 20 5 EDBDLP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903865967 592341188 /nfs/dbraw/zinc/34/11/88/592341188.db2.gz FVLMHIFLSMCKGC-KRWDZBQOSA-N 2 2 346.387 1.721 20 5 EDBDLP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903865967 592341193 /nfs/dbraw/zinc/34/11/93/592341193.db2.gz FVLMHIFLSMCKGC-KRWDZBQOSA-N 2 2 346.387 1.721 20 5 EDBDLP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905138079 592432638 /nfs/dbraw/zinc/43/26/38/592432638.db2.gz OMSXTWZJMQVVSJ-UHFFFAOYSA-N 2 2 346.353 1.824 20 5 EDBDLP C[NH+](C)C[C@@H]1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH+](C)C ZINC000877669812 597546629 /nfs/dbraw/zinc/54/66/29/597546629.db2.gz AIFPWJPTAHNGBE-IAGOWNOFSA-N 3 2 334.464 1.809 20 5 EDBDLP C[N@@H+]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000097617308 219041837 /nfs/dbraw/zinc/04/18/37/219041837.db2.gz ZFNQEIYYTXKELF-UHFFFAOYSA-N 2 2 329.360 1.558 20 5 EDBDLP C[N@H+]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000097617308 219041840 /nfs/dbraw/zinc/04/18/40/219041840.db2.gz ZFNQEIYYTXKELF-UHFFFAOYSA-N 2 2 329.360 1.558 20 5 EDBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000331848142 141088613 /nfs/dbraw/zinc/08/86/13/141088613.db2.gz GUOKJDQXXFCVSU-MRXNPFEDSA-N 2 2 337.424 1.103 20 5 EDBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000365667656 162362879 /nfs/dbraw/zinc/36/28/79/162362879.db2.gz RGXZEFQMYPWYDT-AWEZNQCLSA-N 2 2 343.387 1.807 20 5 EDBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000365667656 162362881 /nfs/dbraw/zinc/36/28/81/162362881.db2.gz RGXZEFQMYPWYDT-AWEZNQCLSA-N 2 2 343.387 1.807 20 5 EDBDLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000295664367 303249300 /nfs/dbraw/zinc/24/93/00/303249300.db2.gz AQWXFPIRSYGEAF-CYBMUJFWSA-N 2 2 346.391 1.406 20 5 EDBDLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000295664367 303249302 /nfs/dbraw/zinc/24/93/02/303249302.db2.gz AQWXFPIRSYGEAF-CYBMUJFWSA-N 2 2 346.391 1.406 20 5 EDBDLP COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430968852 305071631 /nfs/dbraw/zinc/07/16/31/305071631.db2.gz XPKBORMCCOOGHT-VXGBXAGGSA-N 2 2 336.392 1.601 20 5 EDBDLP COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430968852 305071632 /nfs/dbraw/zinc/07/16/32/305071632.db2.gz XPKBORMCCOOGHT-VXGBXAGGSA-N 2 2 336.392 1.601 20 5 EDBDLP C[NH+]1CCC(CNc2ncc([N+](=O)[O-])c(N)n2)([NH+]2CCCCC2)CC1 ZINC000078457687 441933282 /nfs/dbraw/zinc/93/32/82/441933282.db2.gz ZOZKCYDIIAQOOX-UHFFFAOYSA-N 2 2 349.439 1.329 20 5 EDBDLP CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000170969677 442295069 /nfs/dbraw/zinc/29/50/69/442295069.db2.gz NZVNNPIOMYMUSD-CYBMUJFWSA-N 2 2 343.387 1.852 20 5 EDBDLP CC[N@H+]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000170969677 442295070 /nfs/dbraw/zinc/29/50/70/442295070.db2.gz NZVNNPIOMYMUSD-CYBMUJFWSA-N 2 2 343.387 1.852 20 5 EDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000282419714 443334119 /nfs/dbraw/zinc/33/41/19/443334119.db2.gz YNZBQAIUAIDIKM-YJBOKZPZSA-N 2 2 349.431 1.672 20 5 EDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000282419714 443334123 /nfs/dbraw/zinc/33/41/23/443334123.db2.gz YNZBQAIUAIDIKM-YJBOKZPZSA-N 2 2 349.431 1.672 20 5 EDBDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292866283 443864628 /nfs/dbraw/zinc/86/46/28/443864628.db2.gz CTFWYVMKHKHKFZ-QGZVFWFLSA-N 2 2 332.404 1.611 20 5 EDBDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292866283 443864632 /nfs/dbraw/zinc/86/46/32/443864632.db2.gz CTFWYVMKHKHKFZ-QGZVFWFLSA-N 2 2 332.404 1.611 20 5 EDBDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292866283 443864635 /nfs/dbraw/zinc/86/46/35/443864635.db2.gz CTFWYVMKHKHKFZ-QGZVFWFLSA-N 2 2 332.404 1.611 20 5 EDBDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292866283 443864638 /nfs/dbraw/zinc/86/46/38/443864638.db2.gz CTFWYVMKHKHKFZ-QGZVFWFLSA-N 2 2 332.404 1.611 20 5 EDBDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000341566869 444898467 /nfs/dbraw/zinc/89/84/67/444898467.db2.gz PUVAWPDURBLFEB-HNNXBMFYSA-N 2 2 334.420 1.420 20 5 EDBDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000341566869 444898470 /nfs/dbraw/zinc/89/84/70/444898470.db2.gz PUVAWPDURBLFEB-HNNXBMFYSA-N 2 2 334.420 1.420 20 5 EDBDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000341566869 444898473 /nfs/dbraw/zinc/89/84/73/444898473.db2.gz PUVAWPDURBLFEB-HNNXBMFYSA-N 2 2 334.420 1.420 20 5 EDBDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000341566869 444898476 /nfs/dbraw/zinc/89/84/76/444898476.db2.gz PUVAWPDURBLFEB-HNNXBMFYSA-N 2 2 334.420 1.420 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351857838 445344877 /nfs/dbraw/zinc/34/48/77/445344877.db2.gz CCISVOSTAJYJAZ-WOPDTQHZSA-N 2 2 336.392 1.600 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351857838 445344879 /nfs/dbraw/zinc/34/48/79/445344879.db2.gz CCISVOSTAJYJAZ-WOPDTQHZSA-N 2 2 336.392 1.600 20 5 EDBDLP Cc1c(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cccc1[N+](=O)[O-] ZINC000362826648 445567878 /nfs/dbraw/zinc/56/78/78/445567878.db2.gz PIRGVEDBGTZYBT-OAHLLOKOSA-N 2 2 332.404 1.299 20 5 EDBDLP Cc1c(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cccc1[N+](=O)[O-] ZINC000362826648 445567885 /nfs/dbraw/zinc/56/78/85/445567885.db2.gz PIRGVEDBGTZYBT-OAHLLOKOSA-N 2 2 332.404 1.299 20 5 EDBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374999762 446504347 /nfs/dbraw/zinc/50/43/47/446504347.db2.gz RYPBIIZTZILGGA-OAHLLOKOSA-N 2 2 349.431 1.815 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420380326 446556401 /nfs/dbraw/zinc/55/64/01/446556401.db2.gz NUSCNCXJWKUSAN-VXGBXAGGSA-N 2 2 336.392 1.459 20 5 EDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420380326 446556406 /nfs/dbraw/zinc/55/64/06/446556406.db2.gz NUSCNCXJWKUSAN-VXGBXAGGSA-N 2 2 336.392 1.459 20 5 EDBDLP NC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420410581 446582619 /nfs/dbraw/zinc/58/26/19/446582619.db2.gz XZCHRWRIOARINP-ZFWWWQNUSA-N 2 2 332.404 1.658 20 5 EDBDLP NC(=O)c1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420410581 446582624 /nfs/dbraw/zinc/58/26/24/446582624.db2.gz XZCHRWRIOARINP-ZFWWWQNUSA-N 2 2 332.404 1.658 20 5 EDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591438143 448363498 /nfs/dbraw/zinc/36/34/98/448363498.db2.gz LOMJKAPGYOTKDE-HOTGVXAUSA-N 2 2 346.431 1.615 20 5 EDBDLP Cc1ccc([C@@H](C)NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000516856713 448483513 /nfs/dbraw/zinc/48/35/13/448483513.db2.gz BBKOYLAVQVUAGQ-OCCSQVGLSA-N 2 2 335.408 1.249 20 5 EDBDLP O=C(NCCC[NH2+]C1CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000518380341 448671168 /nfs/dbraw/zinc/67/11/68/448671168.db2.gz WFRGLGCKZMYZFE-UHFFFAOYSA-N 2 2 329.360 1.652 20 5 EDBDLP COc1ccc(NC(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000592469598 448850531 /nfs/dbraw/zinc/85/05/31/448850531.db2.gz XQSNUPIOPRPQJJ-UHFFFAOYSA-N 2 2 348.403 1.758 20 5 EDBDLP COc1ccc(NC(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000592469598 448850546 /nfs/dbraw/zinc/85/05/46/448850546.db2.gz XQSNUPIOPRPQJJ-UHFFFAOYSA-N 2 2 348.403 1.758 20 5 EDBDLP CC(=O)N1CC[NH+](CCNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601104909 449692135 /nfs/dbraw/zinc/69/21/35/449692135.db2.gz LXAIFBDOCHKOCT-UHFFFAOYSA-N 2 2 343.387 1.141 20 5 EDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601665557 450153276 /nfs/dbraw/zinc/15/32/76/450153276.db2.gz DTXVTUWSGNTAAQ-UHFFFAOYSA-N 2 2 326.372 1.347 20 5 EDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601665557 450153278 /nfs/dbraw/zinc/15/32/78/450153278.db2.gz DTXVTUWSGNTAAQ-UHFFFAOYSA-N 2 2 326.372 1.347 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000595490532 450180866 /nfs/dbraw/zinc/18/08/66/450180866.db2.gz OCZPTGLNAOWHCU-UHFFFAOYSA-N 2 2 345.359 1.644 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000595490532 450180872 /nfs/dbraw/zinc/18/08/72/450180872.db2.gz OCZPTGLNAOWHCU-UHFFFAOYSA-N 2 2 345.359 1.644 20 5 EDBDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000595504963 450192485 /nfs/dbraw/zinc/19/24/85/450192485.db2.gz NWDQLMFRMPIMAT-KRWDZBQOSA-N 2 2 332.404 1.611 20 5 EDBDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000595504963 450192491 /nfs/dbraw/zinc/19/24/91/450192491.db2.gz NWDQLMFRMPIMAT-KRWDZBQOSA-N 2 2 332.404 1.611 20 5 EDBDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000595504963 450192497 /nfs/dbraw/zinc/19/24/97/450192497.db2.gz NWDQLMFRMPIMAT-KRWDZBQOSA-N 2 2 332.404 1.611 20 5 EDBDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000595504963 450192503 /nfs/dbraw/zinc/19/25/03/450192503.db2.gz NWDQLMFRMPIMAT-KRWDZBQOSA-N 2 2 332.404 1.611 20 5 EDBDLP C[NH2+]CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)C ZINC000903573997 592226298 /nfs/dbraw/zinc/22/62/98/592226298.db2.gz PYTDDCUYONTOPB-UHFFFAOYSA-N 2 2 326.372 1.992 20 5 EDBDLP C[NH2+]CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)C ZINC000903573997 592226301 /nfs/dbraw/zinc/22/63/01/592226301.db2.gz PYTDDCUYONTOPB-UHFFFAOYSA-N 2 2 326.372 1.992 20 5 EDBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C2)CC1 ZINC000823282416 594179996 /nfs/dbraw/zinc/17/99/96/594179996.db2.gz PFWPMNJORFAENN-ZDUSSCGKSA-N 2 2 326.441 1.107 20 5 EDBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C2)CC1 ZINC000823282416 594179998 /nfs/dbraw/zinc/17/99/98/594179998.db2.gz PFWPMNJORFAENN-ZDUSSCGKSA-N 2 2 326.441 1.107 20 5 EDBDLP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000852760628 595531630 /nfs/dbraw/zinc/53/16/30/595531630.db2.gz JVEMOQUFGIEJOT-DLBZAZTESA-N 2 2 337.420 1.671 20 5 EDBDLP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000852760628 595531631 /nfs/dbraw/zinc/53/16/31/595531631.db2.gz JVEMOQUFGIEJOT-DLBZAZTESA-N 2 2 337.420 1.671 20 5 EDBDLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997128889 703387658 /nfs/dbraw/zinc/38/76/58/703387658.db2.gz WGEMXYKUDYDSTM-UHFFFAOYSA-N 2 2 349.416 1.703 20 5 EDBDLP Cc1nn(C)c(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000374254256 282270889 /nfs/dbraw/zinc/27/08/89/282270889.db2.gz CWOJWCWZRBHOCM-LBPRGKRZSA-N 2 2 336.440 1.241 20 5 EDBDLP Cc1nn(C)c(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000374254256 282270890 /nfs/dbraw/zinc/27/08/90/282270890.db2.gz CWOJWCWZRBHOCM-LBPRGKRZSA-N 2 2 336.440 1.241 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000564870793 306367984 /nfs/dbraw/zinc/36/79/84/306367984.db2.gz ATLBORUBSPMURN-JSGCOSHPSA-N 2 2 332.360 1.136 20 5 EDBDLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261821264 139228958 /nfs/dbraw/zinc/22/89/58/139228958.db2.gz IJRYGHMVASOYJI-UHFFFAOYSA-N 2 2 326.784 1.112 20 5 EDBDLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261821264 139228959 /nfs/dbraw/zinc/22/89/59/139228959.db2.gz IJRYGHMVASOYJI-UHFFFAOYSA-N 2 2 326.784 1.112 20 5 EDBDLP C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000262846141 139307617 /nfs/dbraw/zinc/30/76/17/139307617.db2.gz JKUASYBJFSCQCP-YPMHNXCESA-N 2 2 329.360 1.651 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360893357 152243850 /nfs/dbraw/zinc/24/38/50/152243850.db2.gz CYMBYBSJJRYFIZ-UHFFFAOYSA-N 2 2 334.420 1.659 20 5 EDBDLP C[C@@H]([NH3+])C1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000420210542 278305271 /nfs/dbraw/zinc/30/52/71/278305271.db2.gz HFYIMDQYMNCHEA-CQSZACIVSA-N 2 2 348.447 1.991 20 5 EDBDLP O=C(NCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448604757 305299339 /nfs/dbraw/zinc/29/93/39/305299339.db2.gz JDMBQKAGYRDKGD-UHFFFAOYSA-N 2 2 329.360 1.606 20 5 EDBDLP COC(=O)COc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000414923673 447358627 /nfs/dbraw/zinc/35/86/27/447358627.db2.gz HQCWYKBTBKQNTM-YPMHNXCESA-N 2 2 337.376 1.234 20 5 EDBDLP C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H]1CCC[NH+](C)C1 ZINC000152353675 442201097 /nfs/dbraw/zinc/20/10/97/442201097.db2.gz AVKGMWFWTMGBAY-AWEZNQCLSA-N 2 2 346.431 1.758 20 5 EDBDLP C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H]1CCC[NH+](C)C1 ZINC000152353675 442201098 /nfs/dbraw/zinc/20/10/98/442201098.db2.gz AVKGMWFWTMGBAY-AWEZNQCLSA-N 2 2 346.431 1.758 20 5 EDBDLP C[NH+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H]1CCC[N@H+](C)C1 ZINC000152353675 442201100 /nfs/dbraw/zinc/20/11/00/442201100.db2.gz AVKGMWFWTMGBAY-AWEZNQCLSA-N 2 2 346.431 1.758 20 5 EDBDLP C[NH+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000152353675 442201103 /nfs/dbraw/zinc/20/11/03/442201103.db2.gz AVKGMWFWTMGBAY-AWEZNQCLSA-N 2 2 346.431 1.758 20 5 EDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000183327845 318522386 /nfs/dbraw/zinc/52/23/86/318522386.db2.gz GTUYZEOHGPDOLD-UHFFFAOYSA-N 2 2 346.431 1.643 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266956253 443302569 /nfs/dbraw/zinc/30/25/69/443302569.db2.gz VNQSYZVAIYXKJT-UKRRQHHQSA-N 2 2 346.387 1.937 20 5 EDBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266956253 443302573 /nfs/dbraw/zinc/30/25/73/443302573.db2.gz VNQSYZVAIYXKJT-UKRRQHHQSA-N 2 2 346.387 1.937 20 5 EDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000563417494 321110027 /nfs/dbraw/zinc/11/00/27/321110027.db2.gz MPBHWGGZVSVMKY-UHFFFAOYSA-N 2 2 337.420 1.930 20 5 EDBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000581662614 322205507 /nfs/dbraw/zinc/20/55/07/322205507.db2.gz PIWONLQIUXTURQ-DOMZBBRYSA-N 2 2 332.404 1.996 20 5 EDBDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000581662614 322205509 /nfs/dbraw/zinc/20/55/09/322205509.db2.gz PIWONLQIUXTURQ-DOMZBBRYSA-N 2 2 332.404 1.996 20 5 EDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420260360 446436906 /nfs/dbraw/zinc/43/69/06/446436906.db2.gz NPKRCFFKUOFTCH-HZPDHXFCSA-N 2 2 346.431 1.473 20 5 EDBDLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000420297301 446460184 /nfs/dbraw/zinc/46/01/84/446460184.db2.gz YMJWWMPZHWNBGN-ZDUSSCGKSA-N 2 2 336.392 1.616 20 5 EDBDLP C[NH2+]C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000420297301 446460192 /nfs/dbraw/zinc/46/01/92/446460192.db2.gz YMJWWMPZHWNBGN-ZDUSSCGKSA-N 2 2 336.392 1.616 20 5 EDBDLP CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830731 446466058 /nfs/dbraw/zinc/46/60/58/446466058.db2.gz OVLSPTOCLMZRFD-ZDUSSCGKSA-N 2 2 336.392 1.428 20 5 EDBDLP CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830731 446466066 /nfs/dbraw/zinc/46/60/66/446466066.db2.gz OVLSPTOCLMZRFD-ZDUSSCGKSA-N 2 2 336.392 1.428 20 5 EDBDLP CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830980 446466570 /nfs/dbraw/zinc/46/65/70/446466570.db2.gz QVZBDLSCVWHAQG-QGZVFWFLSA-N 2 2 346.431 1.835 20 5 EDBDLP CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830980 446466577 /nfs/dbraw/zinc/46/65/77/446466577.db2.gz QVZBDLSCVWHAQG-QGZVFWFLSA-N 2 2 346.431 1.835 20 5 EDBDLP C[NH2+]CC1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000420198956 447666776 /nfs/dbraw/zinc/66/67/76/447666776.db2.gz WFZVHQDLTHWSAS-UHFFFAOYSA-N 2 2 348.447 1.863 20 5 EDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000575989165 447945497 /nfs/dbraw/zinc/94/54/97/447945497.db2.gz SCPPOECBJMUUGO-CXAGYDPISA-N 2 2 332.404 1.997 20 5 EDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000575989165 447945503 /nfs/dbraw/zinc/94/55/03/447945503.db2.gz SCPPOECBJMUUGO-CXAGYDPISA-N 2 2 332.404 1.997 20 5 EDBDLP CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000582468385 448245091 /nfs/dbraw/zinc/24/50/91/448245091.db2.gz UTIOOYFAJMVFSM-CQSZACIVSA-N 2 2 343.387 1.947 20 5 EDBDLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000582468385 448245092 /nfs/dbraw/zinc/24/50/92/448245092.db2.gz UTIOOYFAJMVFSM-CQSZACIVSA-N 2 2 343.387 1.947 20 5 EDBDLP C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000566412440 448464729 /nfs/dbraw/zinc/46/47/29/448464729.db2.gz WCHWFJHEWKESEK-WCQYABFASA-N 2 2 329.360 1.732 20 5 EDBDLP CCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000598341833 449357318 /nfs/dbraw/zinc/35/73/18/449357318.db2.gz GQFKVAAIWLVPIW-AWEZNQCLSA-N 2 2 343.387 1.995 20 5 EDBDLP CCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000598341833 449357322 /nfs/dbraw/zinc/35/73/22/449357322.db2.gz GQFKVAAIWLVPIW-AWEZNQCLSA-N 2 2 343.387 1.995 20 5 EDBDLP [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)C2 ZINC000598667840 449529812 /nfs/dbraw/zinc/52/98/12/449529812.db2.gz MZOXDEDNOHZGRD-DYVFJYSZSA-N 2 2 341.371 1.734 20 5 EDBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000600747761 449531737 /nfs/dbraw/zinc/53/17/37/449531737.db2.gz BFNKAFOBGCNUJV-GOEBONIOSA-N 2 2 337.424 1.149 20 5 EDBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000600747761 449531742 /nfs/dbraw/zinc/53/17/42/449531742.db2.gz BFNKAFOBGCNUJV-GOEBONIOSA-N 2 2 337.424 1.149 20 5 EDBDLP [NH3+][C@]12CCC[C@@H]1C[N@@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000598681525 449539898 /nfs/dbraw/zinc/53/98/98/449539898.db2.gz GOVQXXXLEDALOW-PVUWLOKVSA-N 2 2 330.388 1.513 20 5 EDBDLP [NH3+][C@]12CCC[C@@H]1C[N@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000598681525 449539902 /nfs/dbraw/zinc/53/99/02/449539902.db2.gz GOVQXXXLEDALOW-PVUWLOKVSA-N 2 2 330.388 1.513 20 5 EDBDLP Cn1cc[nH+]c1[C@@H](NCC12CC(C1)C[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000596654398 449588169 /nfs/dbraw/zinc/58/81/69/449588169.db2.gz NXHPBOURLSOHQK-VXKCQOAXSA-N 2 2 327.388 1.759 20 5 EDBDLP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261611246 536801518 /nfs/dbraw/zinc/80/15/18/536801518.db2.gz CCUNTIDUYMCFLT-BZNIZROVSA-N 2 2 336.392 1.601 20 5 EDBDLP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261611246 536801522 /nfs/dbraw/zinc/80/15/22/536801522.db2.gz CCUNTIDUYMCFLT-BZNIZROVSA-N 2 2 336.392 1.601 20 5 EDBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903820148 592332920 /nfs/dbraw/zinc/33/29/20/592332920.db2.gz VCLXQTMWPNFQJY-MRXNPFEDSA-N 2 2 335.404 1.473 20 5 EDBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903820148 592332923 /nfs/dbraw/zinc/33/29/23/592332923.db2.gz VCLXQTMWPNFQJY-MRXNPFEDSA-N 2 2 335.404 1.473 20 5 EDBDLP COc1cc(C[NH2+]C2CC([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000906511440 592837651 /nfs/dbraw/zinc/83/76/51/592837651.db2.gz SWLWJQKQCDOTST-UHFFFAOYSA-N 2 2 331.319 1.827 20 5 EDBDLP C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855414712 595704470 /nfs/dbraw/zinc/70/44/70/595704470.db2.gz JXUFSEPGULIPCB-CCEZHUSRSA-N 2 2 348.447 1.998 20 5 EDBDLP C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855414712 595704471 /nfs/dbraw/zinc/70/44/71/595704471.db2.gz JXUFSEPGULIPCB-CCEZHUSRSA-N 2 2 348.447 1.998 20 5 EDBDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278902457 273269318 /nfs/dbraw/zinc/26/93/18/273269318.db2.gz ZNBKNSINGFHYLD-SJORKVTESA-N 2 2 346.431 1.902 20 5 EDBDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278902457 273269321 /nfs/dbraw/zinc/26/93/21/273269321.db2.gz ZNBKNSINGFHYLD-SJORKVTESA-N 2 2 346.431 1.902 20 5 EDBDLP C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450241026 320216105 /nfs/dbraw/zinc/21/61/05/320216105.db2.gz JOWFFTZVDKVRSI-BETUJISGSA-N 2 2 343.387 1.945 20 5 EDBDLP C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450241026 320216108 /nfs/dbraw/zinc/21/61/08/320216108.db2.gz JOWFFTZVDKVRSI-BETUJISGSA-N 2 2 343.387 1.945 20 5 EDBDLP C[NH+](CCC[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccco1 ZINC000285518935 444014068 /nfs/dbraw/zinc/01/40/68/444014068.db2.gz DUZDZFSEHLMFHV-UHFFFAOYSA-N 2 2 348.403 1.803 20 5 EDBDLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000285518935 444014078 /nfs/dbraw/zinc/01/40/78/444014078.db2.gz DUZDZFSEHLMFHV-UHFFFAOYSA-N 2 2 348.403 1.803 20 5 EDBDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000285518935 444014084 /nfs/dbraw/zinc/01/40/84/444014084.db2.gz DUZDZFSEHLMFHV-UHFFFAOYSA-N 2 2 348.403 1.803 20 5 EDBDLP O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000332092528 444500676 /nfs/dbraw/zinc/50/06/76/444500676.db2.gz ABUOAJGCCQAKQX-UHFFFAOYSA-N 2 2 335.404 1.845 20 5 EDBDLP C[NH+]1CCN(C[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CCO2)CC1 ZINC000363493724 445830194 /nfs/dbraw/zinc/83/01/94/445830194.db2.gz TWXPOVDGGWXCBL-SFHVURJKSA-N 2 2 348.447 1.086 20 5 EDBDLP C[NH+]1CCN(C[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CCO2)CC1 ZINC000363493724 445830197 /nfs/dbraw/zinc/83/01/97/445830197.db2.gz TWXPOVDGGWXCBL-SFHVURJKSA-N 2 2 348.447 1.086 20 5 EDBDLP COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000351493699 446096465 /nfs/dbraw/zinc/09/64/65/446096465.db2.gz NBCNHZFZJGDNNI-AUZPSNTRSA-N 2 2 348.403 1.600 20 5 EDBDLP COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000351493699 446096478 /nfs/dbraw/zinc/09/64/78/446096478.db2.gz NBCNHZFZJGDNNI-AUZPSNTRSA-N 2 2 348.403 1.600 20 5 EDBDLP CO[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420314041 446478488 /nfs/dbraw/zinc/47/84/88/446478488.db2.gz VDJBKVKDBOTADR-QWHCGFSZSA-N 2 2 336.392 1.362 20 5 EDBDLP CO[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420314041 446478492 /nfs/dbraw/zinc/47/84/92/446478492.db2.gz VDJBKVKDBOTADR-QWHCGFSZSA-N 2 2 336.392 1.362 20 5 EDBDLP C[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000370898789 446506578 /nfs/dbraw/zinc/50/65/78/446506578.db2.gz HDWNVICJDUVTRS-XJKSGUPXSA-N 2 2 337.424 1.101 20 5 EDBDLP C[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000370898789 446506580 /nfs/dbraw/zinc/50/65/80/446506580.db2.gz HDWNVICJDUVTRS-XJKSGUPXSA-N 2 2 337.424 1.101 20 5 EDBDLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420365198 446544410 /nfs/dbraw/zinc/54/44/10/446544410.db2.gz KXWCFKNFDAVVKY-PEBVRCNWSA-N 2 2 332.404 1.460 20 5 EDBDLP CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000423954331 446796438 /nfs/dbraw/zinc/79/64/38/446796438.db2.gz RWRAIBQLXZIURR-AWEZNQCLSA-N 2 2 331.376 1.884 20 5 EDBDLP Cn1cc[nH+]c1[C@@H](NC[C@@H]1C[C@H](F)C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591581769 448396109 /nfs/dbraw/zinc/39/61/09/448396109.db2.gz RJFAXBCYFMQYCG-YDHLFZDLSA-N 2 2 333.367 1.707 20 5 EDBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593739139 449173554 /nfs/dbraw/zinc/17/35/54/449173554.db2.gz XXPGAGWAQGCIAU-DCGLDWPTSA-N 2 2 332.404 1.983 20 5 EDBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593739139 449173560 /nfs/dbraw/zinc/17/35/60/449173560.db2.gz XXPGAGWAQGCIAU-DCGLDWPTSA-N 2 2 332.404 1.983 20 5 EDBDLP CN(CC1C[NH+](C)C1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598164034 449269020 /nfs/dbraw/zinc/26/90/20/449269020.db2.gz SMGKRVOYKUIKSY-UHFFFAOYSA-N 2 2 329.360 1.414 20 5 EDBDLP C[C@@H]1C[NH+](CCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000776277530 580413741 /nfs/dbraw/zinc/41/37/41/580413741.db2.gz QGURXYSYIKQRKL-CPUCHLNUSA-N 2 2 337.420 1.717 20 5 EDBDLP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000903528226 592206290 /nfs/dbraw/zinc/20/62/90/592206290.db2.gz FJRZBCAOUPICDW-AWEZNQCLSA-N 2 2 348.403 1.967 20 5 EDBDLP C[NH2+]C[C@@H]1CCCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000903528226 592206291 /nfs/dbraw/zinc/20/62/91/592206291.db2.gz FJRZBCAOUPICDW-AWEZNQCLSA-N 2 2 348.403 1.967 20 5 EDBDLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000843355893 595085351 /nfs/dbraw/zinc/08/53/51/595085351.db2.gz LNLBMSICBJNTAM-QMTHXVAHSA-N 2 2 340.355 1.111 20 5 EDBDLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000843355893 595085354 /nfs/dbraw/zinc/08/53/54/595085354.db2.gz LNLBMSICBJNTAM-QMTHXVAHSA-N 2 2 340.355 1.111 20 5 EDBDLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001004258568 704087089 /nfs/dbraw/zinc/08/70/89/704087089.db2.gz UDGZECJEVLEQJQ-UHFFFAOYSA-N 2 2 343.387 1.572 20 5 EDBDLP C[C@@H]1CCC[N@@H+]1C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090564482 138279667 /nfs/dbraw/zinc/27/96/67/138279667.db2.gz VTWBYCUOUOONDH-CQSZACIVSA-N 2 2 334.420 1.705 20 5 EDBDLP C[C@@H]1CCC[N@H+]1C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090564482 138279668 /nfs/dbraw/zinc/27/96/68/138279668.db2.gz VTWBYCUOUOONDH-CQSZACIVSA-N 2 2 334.420 1.705 20 5 EDBDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000358176070 151295359 /nfs/dbraw/zinc/29/53/59/151295359.db2.gz WDWQLJORVGMZGX-AWEZNQCLSA-N 2 2 331.319 1.352 20 5 EDBDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000358176070 151295361 /nfs/dbraw/zinc/29/53/61/151295361.db2.gz WDWQLJORVGMZGX-AWEZNQCLSA-N 2 2 331.319 1.352 20 5 EDBDLP C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367174951 274362174 /nfs/dbraw/zinc/36/21/74/274362174.db2.gz XYRMWWIIRYVDTD-CYBMUJFWSA-N 2 2 333.436 1.782 20 5 EDBDLP C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367174951 274362175 /nfs/dbraw/zinc/36/21/75/274362175.db2.gz XYRMWWIIRYVDTD-CYBMUJFWSA-N 2 2 333.436 1.782 20 5 EDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420260357 304802339 /nfs/dbraw/zinc/80/23/39/304802339.db2.gz NPKRCFFKUOFTCH-HOTGVXAUSA-N 2 2 346.431 1.473 20 5 EDBDLP C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179251265 442605955 /nfs/dbraw/zinc/60/59/55/442605955.db2.gz UXOBDGRINVMYKA-CHWSQXEVSA-N 2 2 343.387 1.945 20 5 EDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000269647341 443377390 /nfs/dbraw/zinc/37/73/90/443377390.db2.gz LKUJCJSFDLAKFQ-PBHICJAKSA-N 2 2 335.404 1.282 20 5 EDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000269647341 443377395 /nfs/dbraw/zinc/37/73/95/443377395.db2.gz LKUJCJSFDLAKFQ-PBHICJAKSA-N 2 2 335.404 1.282 20 5 EDBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000369273498 446036611 /nfs/dbraw/zinc/03/66/11/446036611.db2.gz HBIOQBVWOHOFKF-AWEZNQCLSA-N 2 2 332.404 1.493 20 5 EDBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000369273498 446036617 /nfs/dbraw/zinc/03/66/17/446036617.db2.gz HBIOQBVWOHOFKF-AWEZNQCLSA-N 2 2 332.404 1.493 20 5 EDBDLP Cn1ccnc1[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc([N+](=O)[O-])cc1 ZINC000583862734 326154280 /nfs/dbraw/zinc/15/42/80/326154280.db2.gz DVNIGSUWJBIYSF-INIZCTEOSA-N 2 2 340.387 1.984 20 5 EDBDLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000420295681 446458084 /nfs/dbraw/zinc/45/80/84/446458084.db2.gz VXECNLBTQYKIGE-CQSZACIVSA-N 2 2 326.784 1.904 20 5 EDBDLP CO[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420314038 446477336 /nfs/dbraw/zinc/47/73/36/446477336.db2.gz VDJBKVKDBOTADR-CHWSQXEVSA-N 2 2 336.392 1.362 20 5 EDBDLP CO[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420314038 446477343 /nfs/dbraw/zinc/47/73/43/446477343.db2.gz VDJBKVKDBOTADR-CHWSQXEVSA-N 2 2 336.392 1.362 20 5 EDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591447824 448365660 /nfs/dbraw/zinc/36/56/60/448365660.db2.gz AHMQJKOGWCITSV-CJNGLKHVSA-N 2 2 332.404 1.916 20 5 EDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591447824 448365665 /nfs/dbraw/zinc/36/56/65/448365665.db2.gz AHMQJKOGWCITSV-CJNGLKHVSA-N 2 2 332.404 1.916 20 5 EDBDLP C[NH+](C)C1CC[NH+](CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596151088 449386640 /nfs/dbraw/zinc/38/66/40/449386640.db2.gz MVHVJSSHJHHTAY-UHFFFAOYSA-N 2 2 335.408 1.132 20 5 EDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000602548845 449667588 /nfs/dbraw/zinc/66/75/88/449667588.db2.gz GMNWZBXVJOXNFZ-UHFFFAOYSA-N 2 2 337.420 1.928 20 5 EDBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCn4cc[nH+]c4C3)CC2)cn1 ZINC000602623315 449713459 /nfs/dbraw/zinc/71/34/59/449713459.db2.gz OOJFXUDZJQNURA-CQSZACIVSA-N 2 2 342.403 1.760 20 5 EDBDLP O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000776590137 580422864 /nfs/dbraw/zinc/42/28/64/580422864.db2.gz YKGPAQWFIAXZPD-YOEHRIQHSA-N 2 2 335.404 1.282 20 5 EDBDLP O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000776590137 580422865 /nfs/dbraw/zinc/42/28/65/580422865.db2.gz YKGPAQWFIAXZPD-YOEHRIQHSA-N 2 2 335.404 1.282 20 5 EDBDLP