smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000018217950 569316101 /nfs/dbraw/zinc/31/61/01/569316101.db2.gz ITWYJFOEJBVCRG-GOSISDBHSA-N 1 0 443.891 2.529 50 5 IFBARO CCOc1cc(C[NH2+]CC(C)(C)C(=O)OC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000095997167 569378892 /nfs/dbraw/zinc/37/88/92/569378892.db2.gz YWTKBRJKYOOOLQ-UHFFFAOYSA-N 1 0 434.493 2.866 50 5 IFBARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000009907988 132331495 /nfs/dbraw/zinc/33/14/95/132331495.db2.gz HHHCJAJBGDUGOV-UHFFFAOYSA-N 1 0 442.472 2.541 50 5 IFBARO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)CC(C)C ZINC000012781488 520841133 /nfs/dbraw/zinc/84/11/33/520841133.db2.gz PNPIFBDURTWLNT-GOSISDBHSA-N 1 0 442.582 2.784 50 5 IFBARO COc1c2c(cc3c1[C@H](Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[N@H+](C)CC3)OCO2 ZINC000070672291 521887577 /nfs/dbraw/zinc/88/75/77/521887577.db2.gz JLAHHIWZGARIGP-HNNXBMFYSA-N 1 0 446.372 2.920 50 5 IFBARO COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000032854563 556432664 /nfs/dbraw/zinc/43/26/64/556432664.db2.gz KDIBCXRDZCUOQG-KRWDZBQOSA-N 1 0 429.473 2.633 50 5 IFBARO COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000032854561 556432680 /nfs/dbraw/zinc/43/26/80/556432680.db2.gz KDIBCXRDZCUOQG-QGZVFWFLSA-N 1 0 429.473 2.633 50 5 IFBARO COCCN(CCC[NH+](C)C)c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000072312215 556598071 /nfs/dbraw/zinc/59/80/71/556598071.db2.gz PSMCIXVVEDYGGH-UHFFFAOYSA-N 1 0 442.582 2.564 50 5 IFBARO CC(=O)Nc1ccc(-n2ccc3nc4ccn(CCC[NH+](C)C)c(=O)c4cc3c2=O)cc1 ZINC000038829440 556620774 /nfs/dbraw/zinc/62/07/74/556620774.db2.gz FWNSKSAVHKBFRR-UHFFFAOYSA-N 1 0 431.496 2.611 50 5 IFBARO Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000248108318 556662969 /nfs/dbraw/zinc/66/29/69/556662969.db2.gz MJFBFVYLUHLRPZ-LYXWCMDISA-N 1 0 446.463 2.643 50 5 IFBARO Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000248108325 556663003 /nfs/dbraw/zinc/66/30/03/556663003.db2.gz MJFBFVYLUHLRPZ-RAZUEPIFSA-N 1 0 446.463 2.643 50 5 IFBARO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000248342357 556681202 /nfs/dbraw/zinc/68/12/02/556681202.db2.gz XXWJWFMHFBTDCO-GSRZOBFVSA-N 1 0 446.463 2.643 50 5 IFBARO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000103534773 557439276 /nfs/dbraw/zinc/43/92/76/557439276.db2.gz PNZBCPISBINHIY-FVJVTNMWSA-N 1 0 446.463 2.643 50 5 IFBARO COc1ccc([N+](=O)[O-])cc1N(C[C@H](O)C[NH+]1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000004066024 562941472 /nfs/dbraw/zinc/94/14/72/562941472.db2.gz HLJACWICPMCAEP-GOSISDBHSA-N 1 0 449.529 2.646 50 5 IFBARO CC[NH+]1CCN(CCc2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3n2C)CC1 ZINC000009016006 569496749 /nfs/dbraw/zinc/49/67/49/569496749.db2.gz MMTGWKLLQKWUCM-UHFFFAOYSA-N 1 0 436.516 2.914 50 5 IFBARO Cc1c(NC(=O)CC[NH+]2CCC(NS(=O)(=O)c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000025051461 557856866 /nfs/dbraw/zinc/85/68/66/557856866.db2.gz JTNYOXRGPAZTPZ-UHFFFAOYSA-N 1 0 446.529 2.675 50 5 IFBARO COc1ccc([N+](=O)[O-])cc1N(C[C@H](O)C[NH+]1CCCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000006191405 562946513 /nfs/dbraw/zinc/94/65/13/562946513.db2.gz LSDQSMRWLYTOOD-GOSISDBHSA-N 1 0 449.529 2.564 50 5 IFBARO C[NH+](C)CCNS(=O)(=O)c1ccc(NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 ZINC000015208692 568732179 /nfs/dbraw/zinc/73/21/79/568732179.db2.gz OWONIZKQOSGPDV-UHFFFAOYSA-N 1 0 431.518 2.571 50 5 IFBARO O=C(NCc1ccc(CN2CCOCC2)o1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000170616992 569146744 /nfs/dbraw/zinc/14/67/44/569146744.db2.gz DMRCBIUYOIEBGE-UHFFFAOYSA-N 1 0 426.376 2.943 50 5 IFBARO Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000002452727 569305315 /nfs/dbraw/zinc/30/53/15/569305315.db2.gz MJFBFVYLUHLRPZ-YDLHNXBPSA-N 1 0 446.463 2.643 50 5 IFBARO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000095433128 569366441 /nfs/dbraw/zinc/36/64/41/569366441.db2.gz GXBBLSQFLLPNBX-OAQYLSRUSA-N 1 0 447.557 2.936 50 5 IFBARO CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000245246491 569501148 /nfs/dbraw/zinc/50/11/48/569501148.db2.gz MUDFLOGWSRAWHE-LYXWCMDISA-N 1 0 446.463 2.588 50 5 IFBARO CC(C)C[C@@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000012823777 519212533 /nfs/dbraw/zinc/21/25/33/519212533.db2.gz QAXZLQQNPDOTHC-KRWDZBQOSA-N 1 0 440.566 2.538 50 5 IFBARO CC[NH+](CC)[C@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])CC(C)C ZINC000012561772 520869447 /nfs/dbraw/zinc/86/94/47/520869447.db2.gz RYDDYAFJDPKCTO-KRWDZBQOSA-N 1 0 442.582 2.784 50 5 IFBARO Cc1nn(Cc2ccc(C(=O)NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000023509468 526288565 /nfs/dbraw/zinc/28/85/65/526288565.db2.gz NCOHZHKQIDEIJP-HOTGVXAUSA-N 1 0 429.521 2.686 50 5 IFBARO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000248342358 556681301 /nfs/dbraw/zinc/68/13/01/556681301.db2.gz XXWJWFMHFBTDCO-XMODTWTHSA-N 1 0 446.463 2.643 50 5 IFBARO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000106535832 557529856 /nfs/dbraw/zinc/52/98/56/557529856.db2.gz YUSCMPHGYDSGAM-LYXWCMDISA-N 1 0 446.463 2.643 50 5 IFBARO O=[N+]([O-])c1ccc(CN2CCc3nc(N4CCCCC4)nc(N4CCOCC4)c3C2)cc1 ZINC000034755420 568737932 /nfs/dbraw/zinc/73/79/32/568737932.db2.gz FAWXQXRBSQIXLC-UHFFFAOYSA-N 1 0 438.532 2.770 50 5 IFBARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000015989261 568861888 /nfs/dbraw/zinc/86/18/88/568861888.db2.gz VTQUSRNWSGYSPE-QLBZUPSYSA-N 1 0 446.463 2.643 50 5 IFBARO Cc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016000289 568862253 /nfs/dbraw/zinc/86/22/53/568862253.db2.gz KXONZDYINQEQJK-LUCIHVKJSA-N 1 0 446.463 2.643 50 5 IFBARO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016010220 568862689 /nfs/dbraw/zinc/86/26/89/568862689.db2.gz YZHAQZXTTRKELF-CMCWBKRRSA-N 1 0 446.463 2.588 50 5 IFBARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035830083 568928014 /nfs/dbraw/zinc/92/80/14/568928014.db2.gz WAPMDJIAMPNFDS-ZHNFZGJGSA-N 1 0 446.463 2.643 50 5 IFBARO O=C(NCc1cccnc1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12 ZINC000169681778 568992628 /nfs/dbraw/zinc/99/26/28/568992628.db2.gz VZBSOCFWHSXVQX-GMAHTHKFSA-N 1 0 435.528 2.912 50 5 IFBARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OC ZINC000095430422 569366125 /nfs/dbraw/zinc/36/61/25/569366125.db2.gz FKKULSPAIYTOHP-UHFFFAOYSA-N 1 0 444.488 2.936 50 5 IFBARO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)[NH+]2CCCCC2)cc1 ZINC000057366491 569432288 /nfs/dbraw/zinc/43/22/88/569432288.db2.gz JYYZVRJLRHEDPN-LJQANCHMSA-N 1 0 434.518 2.890 50 5 IFBARO COC(=O)c1ccc(C[N+]2(C[C@H](O)COC[C@H]3COc4ccccc4O3)CCCC2)cc1 ZINC000003178063 569441276 /nfs/dbraw/zinc/44/12/76/569441276.db2.gz LQKKHSYOGFXJLD-VXKWHMMOSA-N 1 0 442.532 2.801 50 5 IFBARO C[NH+]1CCN(CCCNC(=O)c2ccc3c4nc5ccccc5n4c(=S)[nH]c3c2)CC1 ZINC000020618198 523900120 /nfs/dbraw/zinc/90/01/20/523900120.db2.gz VFADJQVXNYQAKT-UHFFFAOYSA-N 1 0 434.569 2.692 50 5 IFBARO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000006126272 556076616 /nfs/dbraw/zinc/07/66/16/556076616.db2.gz MPISFELVZBGMJX-UHFFFAOYSA-N 1 0 444.557 2.566 50 5 IFBARO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000097165574 556994732 /nfs/dbraw/zinc/99/47/32/556994732.db2.gz FTZUHVNKTWQLHM-IAGOWNOFSA-N 1 0 427.523 2.794 50 5 IFBARO C[NH+]1CCN(c2ccc(CNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cn2)CC1 ZINC000024505806 557149155 /nfs/dbraw/zinc/14/91/55/557149155.db2.gz KFSZZLKEPCBCDA-UHFFFAOYSA-N 1 0 441.535 2.618 50 5 IFBARO Cc1ccc(N(C[C@@H](O)C[NH+]2CCCCC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000006034750 562945937 /nfs/dbraw/zinc/94/59/37/562945937.db2.gz DVXSEOGOURDSAQ-IBGZPJMESA-N 1 0 433.530 2.945 50 5 IFBARO Cc1ccc(N(C[C@H](O)C[NH+]2CCCCC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000006034747 562945942 /nfs/dbraw/zinc/94/59/42/562945942.db2.gz DVXSEOGOURDSAQ-LJQANCHMSA-N 1 0 433.530 2.945 50 5 IFBARO Cc1ccc(S(=O)(=O)N(C[C@@H](O)C[NH+]2CCCCC2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000006078824 562946167 /nfs/dbraw/zinc/94/61/67/562946167.db2.gz QHASTYWKKINDCF-FQEVSTJZSA-N 1 0 433.530 2.945 50 5 IFBARO Cc1ccc(S(=O)(=O)N(C[C@H](O)C[NH+]2CCCCC2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000006078822 562946173 /nfs/dbraw/zinc/94/61/73/562946173.db2.gz QHASTYWKKINDCF-HXUWFJFHSA-N 1 0 433.530 2.945 50 5 IFBARO O=C(NCc1cccnc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12 ZINC000169681777 568992590 /nfs/dbraw/zinc/99/25/90/568992590.db2.gz VZBSOCFWHSXVQX-GGAORHGYSA-N 1 0 435.528 2.912 50 5 IFBARO O[C@H](COC[C@H]1COc2ccccc2O1)C[N+]1(Cc2ccc(Cl)cc2)CCOCC1 ZINC000003166961 569441089 /nfs/dbraw/zinc/44/10/89/569441089.db2.gz YTBDEZLOXLVEKH-SFTDATJTSA-N 1 0 434.940 2.905 50 5 IFBARO O=[N+]([O-])c1ccc(C[N+]2(C[C@H](O)COC[C@@H]3COc4ccccc4O3)CCCC2)cc1 ZINC000003178933 569441307 /nfs/dbraw/zinc/44/13/07/569441307.db2.gz UHBFQKRQNSHARN-LEWJYISDSA-N 1 0 429.493 2.923 50 5 IFBARO CC(C)C[C@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000012823779 519353000 /nfs/dbraw/zinc/35/30/00/519353000.db2.gz QAXZLQQNPDOTHC-QGZVFWFLSA-N 1 0 440.566 2.538 50 5 IFBARO Cc1ccc(N(C[C@@H](O)C[NH+]2CCCCC2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000022170569 556577886 /nfs/dbraw/zinc/57/78/86/556577886.db2.gz TUMHZWYHSGFAJM-FQEVSTJZSA-N 1 0 433.530 2.945 50 5 IFBARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000023654323 557103462 /nfs/dbraw/zinc/10/34/62/557103462.db2.gz LUVMYRNTCBWFDY-UHFFFAOYSA-N 1 0 439.516 2.744 50 5 IFBARO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000102815901 557393463 /nfs/dbraw/zinc/39/34/63/557393463.db2.gz DFFPYYJAFMBLNB-FLFXDLLNSA-N 1 0 446.463 2.643 50 5 IFBARO COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000013153410 562985587 /nfs/dbraw/zinc/98/55/87/562985587.db2.gz CUZXYDBOYIURJR-KRWDZBQOSA-N 1 0 428.445 2.563 50 5 IFBARO COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C(C)=O)N3C=Cc4ccccc4[C@H]3[C@H]2C1=O ZINC000248381644 568782575 /nfs/dbraw/zinc/78/25/75/568782575.db2.gz UPBYRKFPAKVBFS-ANULTFPQSA-N 1 0 433.420 2.708 50 5 IFBARO O=C1NC(=O)C2(CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)CC2)N1 ZINC000095468606 569371424 /nfs/dbraw/zinc/37/14/24/569371424.db2.gz UNSBNEICJXDIRF-UHFFFAOYSA-N 1 0 449.261 2.791 50 5 IFBARO O=[N+]([O-])c1ccc(C[N+]2(C[C@H](O)COC[C@H]3COc4ccccc4O3)CCCC2)cc1 ZINC000003178934 569441344 /nfs/dbraw/zinc/44/13/44/569441344.db2.gz UHBFQKRQNSHARN-SFTDATJTSA-N 1 0 429.493 2.923 50 5 IFBARO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035843249 525590356 /nfs/dbraw/zinc/59/03/56/525590356.db2.gz XXWJWFMHFBTDCO-FLFXDLLNSA-N 1 0 446.463 2.643 50 5 IFBARO COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=CN1[C@@H]2C(C)=O ZINC000248381645 568782610 /nfs/dbraw/zinc/78/26/10/568782610.db2.gz UPBYRKFPAKVBFS-MHTWAQMVSA-N 1 0 433.420 2.708 50 5 IFBARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000015990265 568861852 /nfs/dbraw/zinc/86/18/52/568861852.db2.gz WAPMDJIAMPNFDS-QLBZUPSYSA-N 1 0 446.463 2.643 50 5 IFBARO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000328589593 569316734 /nfs/dbraw/zinc/31/67/34/569316734.db2.gz SZJZFVWTAYNJCZ-KRWDZBQOSA-N 1 0 441.550 2.994 50 5 IFBARO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccsc1 ZINC000031195716 569454711 /nfs/dbraw/zinc/45/47/11/569454711.db2.gz PHPGZENOUGLMOX-SFHVURJKSA-N 1 0 432.550 2.966 50 5 IFBARO CCOC(=O)c1cn(-c2ccc(F)cc2)c2cc(N3CC[NH2+]CC3)c([N+](=O)[O-])cc2c1=O ZINC000009009539 132226430 /nfs/dbraw/zinc/22/64/30/132226430.db2.gz IADFMVSUYAXBAL-UHFFFAOYSA-N 1 0 440.431 2.624 50 5 IFBARO CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)[NH+]1CCCC1 ZINC000012522918 519213287 /nfs/dbraw/zinc/21/32/87/519213287.db2.gz YKLCAGVBTQVTJO-SFHVURJKSA-N 1 0 440.566 2.538 50 5 IFBARO O=C(NCc1cccnc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12 ZINC000035870414 526767290 /nfs/dbraw/zinc/76/72/90/526767290.db2.gz VZBSOCFWHSXVQX-FYYLOGMGSA-N 1 0 435.528 2.912 50 5 IFBARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000248006580 556655822 /nfs/dbraw/zinc/65/58/22/556655822.db2.gz WAPMDJIAMPNFDS-OKFYXZINSA-N 1 0 446.463 2.643 50 5 IFBARO Cc1nn(Cc2ccc(C(=O)NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000023509463 557364688 /nfs/dbraw/zinc/36/46/88/557364688.db2.gz NCOHZHKQIDEIJP-HZPDHXFCSA-N 1 0 429.521 2.686 50 5 IFBARO O=C1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000100210052 557367880 /nfs/dbraw/zinc/36/78/80/557367880.db2.gz ITWYJFOEJBVCRG-SFHVURJKSA-N 1 0 443.891 2.529 50 5 IFBARO Cc1ccc(Nc2ccc(S(=O)(=O)NCCCN3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000015174401 568731833 /nfs/dbraw/zinc/73/18/33/568731833.db2.gz ITTTZVPINKJZBN-UHFFFAOYSA-N 1 0 434.518 2.647 50 5 IFBARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000015996104 568861917 /nfs/dbraw/zinc/86/19/17/568861917.db2.gz IHHBCBQHEQVUOZ-CMCWBKRRSA-N 1 0 446.463 2.643 50 5 IFBARO Cc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000138071620 568928486 /nfs/dbraw/zinc/92/84/86/568928486.db2.gz KXONZDYINQEQJK-IPRDPGLQSA-N 1 0 446.463 2.643 50 5 IFBARO CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000138103361 568930783 /nfs/dbraw/zinc/93/07/83/568930783.db2.gz HYDLLJOQCTWYSF-YDLHNXBPSA-N 1 0 446.463 2.588 50 5 IFBARO C[NH+](C)CCCn1c(=O)nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)c2c1CCCC2 ZINC000009747976 569565890 /nfs/dbraw/zinc/56/58/90/569565890.db2.gz MGKFEUVISLLEBC-UHFFFAOYSA-N 1 0 445.545 2.713 50 5 IFBARO O=C(NCc1ccccc1CN1CCOCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000018213984 557252657 /nfs/dbraw/zinc/25/26/57/557252657.db2.gz PKMCWGTZQXOKPL-UHFFFAOYSA-N 1 0 438.528 2.960 50 5 IFBARO O=C(NC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](CCOc3ccccc3)C[C@H]12 ZINC000104914840 557464816 /nfs/dbraw/zinc/46/48/16/557464816.db2.gz LYGGWTRKOYSFNT-JTHBVZDNSA-N 1 0 436.512 2.615 50 5 IFBARO Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016013063 568862538 /nfs/dbraw/zinc/86/25/38/568862538.db2.gz PNZBCPISBINHIY-UAKAABGRSA-N 1 0 446.463 2.643 50 5 IFBARO O[C@@H](COC[C@@H]1COc2ccccc2O1)C[N+]1(Cc2ccc(Cl)cc2)CCOCC1 ZINC000003166956 569441097 /nfs/dbraw/zinc/44/10/97/569441097.db2.gz YTBDEZLOXLVEKH-NHCUHLMSSA-N 1 0 434.940 2.905 50 5 IFBARO O[C@H](COC[C@@H]1COc2ccccc2O1)C[N+]1(Cc2ccc(Cl)cc2)CCOCC1 ZINC000003166960 569441121 /nfs/dbraw/zinc/44/11/21/569441121.db2.gz YTBDEZLOXLVEKH-LEWJYISDSA-N 1 0 434.940 2.905 50 5 IFBARO CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(C)c1C[N+](C)(C)CCO ZINC000008934179 569487936 /nfs/dbraw/zinc/48/79/36/569487936.db2.gz CXXFILIOZFZUIM-UHFFFAOYSA-N 1 0 442.330 2.612 50 5 IFBARO CC(C)C[C@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)[NH+]1CCCC1 ZINC000012522919 519354180 /nfs/dbraw/zinc/35/41/80/519354180.db2.gz YKLCAGVBTQVTJO-GOSISDBHSA-N 1 0 440.566 2.538 50 5 IFBARO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)CC(C)C ZINC000012781493 520869501 /nfs/dbraw/zinc/86/95/01/520869501.db2.gz PNPIFBDURTWLNT-SFHVURJKSA-N 1 0 442.582 2.784 50 5 IFBARO COc1c2c(cc3c1[C@@H](Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[N@H+](C)CC3)OCO2 ZINC000070672294 521889027 /nfs/dbraw/zinc/88/90/27/521889027.db2.gz JLAHHIWZGARIGP-OAHLLOKOSA-N 1 0 446.372 2.920 50 5 IFBARO O=C(NCc1cccnc1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12 ZINC000035870415 526768619 /nfs/dbraw/zinc/76/86/19/526768619.db2.gz VZBSOCFWHSXVQX-JTHBVZDNSA-N 1 0 435.528 2.912 50 5 IFBARO Cc1ccc(N(C[C@H](O)C[NH+]2CCCCC2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000022170571 556577849 /nfs/dbraw/zinc/57/78/49/556577849.db2.gz TUMHZWYHSGFAJM-HXUWFJFHSA-N 1 0 433.530 2.945 50 5 IFBARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000248128208 556667868 /nfs/dbraw/zinc/66/78/68/556667868.db2.gz VTQUSRNWSGYSPE-OKFYXZINSA-N 1 0 446.463 2.643 50 5 IFBARO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000248342821 556681133 /nfs/dbraw/zinc/68/11/33/556681133.db2.gz YUSCMPHGYDSGAM-RAZUEPIFSA-N 1 0 446.463 2.643 50 5 IFBARO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000106535272 557530089 /nfs/dbraw/zinc/53/00/89/557530089.db2.gz PNZBCPISBINHIY-RAZUEPIFSA-N 1 0 446.463 2.643 50 5 IFBARO COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)C[NH2+]C[C@H]2CCCO2)c1 ZINC000013153411 562985591 /nfs/dbraw/zinc/98/55/91/562985591.db2.gz CUZXYDBOYIURJR-QGZVFWFLSA-N 1 0 428.445 2.563 50 5 IFBARO Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000034799051 568738192 /nfs/dbraw/zinc/73/81/92/568738192.db2.gz MJFBFVYLUHLRPZ-FVJVTNMWSA-N 1 0 446.463 2.643 50 5 IFBARO CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016012520 568862586 /nfs/dbraw/zinc/86/25/86/568862586.db2.gz MUDFLOGWSRAWHE-UAKAABGRSA-N 1 0 446.463 2.588 50 5 IFBARO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000138126613 568931260 /nfs/dbraw/zinc/93/12/60/568931260.db2.gz PNZBCPISBINHIY-YDLHNXBPSA-N 1 0 446.463 2.643 50 5 IFBARO O=C(NC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](CCOc3ccccc3)C[C@@H]12 ZINC000169679120 568990145 /nfs/dbraw/zinc/99/01/45/568990145.db2.gz LYGGWTRKOYSFNT-GGAORHGYSA-N 1 0 436.512 2.615 50 5 IFBARO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000002196878 569191346 /nfs/dbraw/zinc/19/13/46/569191346.db2.gz YUSCMPHGYDSGAM-YDLHNXBPSA-N 1 0 446.463 2.643 50 5 IFBARO O=C(c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000002767888 569420758 /nfs/dbraw/zinc/42/07/58/569420758.db2.gz KGLCMGOKOOPRCV-OAHLLOKOSA-N 1 0 434.294 2.522 50 5 IFBARO O=C(CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000030912037 569450795 /nfs/dbraw/zinc/45/07/95/569450795.db2.gz PTGMMLMCAGSCTK-UHFFFAOYSA-N 1 0 439.516 2.582 50 5 IFBARO CC[NH+](CC)[C@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccsc1 ZINC000031195720 569454688 /nfs/dbraw/zinc/45/46/88/569454688.db2.gz PHPGZENOUGLMOX-GOSISDBHSA-N 1 0 432.550 2.966 50 5 IFBARO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000009332535 569523034 /nfs/dbraw/zinc/52/30/34/569523034.db2.gz YUSCMPHGYDSGAM-FVJVTNMWSA-N 1 0 446.463 2.643 50 5 IFBARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000009907987 132331456 /nfs/dbraw/zinc/33/14/56/132331456.db2.gz WUOXQUCSHHBQPB-UHFFFAOYSA-N 1 0 442.472 2.541 50 5 IFBARO COCCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000035894510 523355604 /nfs/dbraw/zinc/35/56/04/523355604.db2.gz ZKTKFFXRIBTPEK-FYYLOGMGSA-N 1 0 438.528 2.611 50 5 IFBARO Cc1nn(Cc2ccc(C(=O)NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000023509465 557364561 /nfs/dbraw/zinc/36/45/61/557364561.db2.gz NCOHZHKQIDEIJP-IYBDPMFKSA-N 1 0 429.521 2.686 50 5 IFBARO COc1ccc([N+](=O)[O-])cc1N(C[C@@H](O)C[NH+]1CCCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000006191406 562946518 /nfs/dbraw/zinc/94/65/18/562946518.db2.gz LSDQSMRWLYTOOD-SFHVURJKSA-N 1 0 449.529 2.564 50 5 IFBARO COCCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000169677321 568989692 /nfs/dbraw/zinc/98/96/92/568989692.db2.gz ZKTKFFXRIBTPEK-GGAORHGYSA-N 1 0 438.528 2.611 50 5 IFBARO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000328589594 569316714 /nfs/dbraw/zinc/31/67/14/569316714.db2.gz SZJZFVWTAYNJCZ-QGZVFWFLSA-N 1 0 441.550 2.994 50 5 IFBARO CC(C)[NH+]1CCC(N2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)CC1 ZINC000095429810 569366202 /nfs/dbraw/zinc/36/62/02/569366202.db2.gz LHAYPCNVHUWKTA-UHFFFAOYSA-N 1 0 429.565 2.826 50 5 IFBARO COC(=O)c1ccc(C[N+]2(C[C@@H](O)COC[C@@H]3COc4ccccc4O3)CCCC2)cc1 ZINC000003178069 569441248 /nfs/dbraw/zinc/44/12/48/569441248.db2.gz LQKKHSYOGFXJLD-FGZHOGPDSA-N 1 0 442.532 2.801 50 5 IFBARO COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)C[NH2+]Cc2cccnc2)c1 ZINC000058022614 569445410 /nfs/dbraw/zinc/44/54/10/569445410.db2.gz JWFLGSSENQKIRT-UHFFFAOYSA-N 1 0 435.440 2.979 50 5 IFBARO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000245257379 569501384 /nfs/dbraw/zinc/50/13/84/569501384.db2.gz YZHAQZXTTRKELF-AZXNSQLWSA-N 1 0 446.463 2.588 50 5 IFBARO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000245254886 569501406 /nfs/dbraw/zinc/50/14/06/569501406.db2.gz DFFPYYJAFMBLNB-GSRZOBFVSA-N 1 0 446.463 2.643 50 5 IFBARO CC[NH+](CC)CCn1c2c(c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nc1=O)CCC2 ZINC000009745637 569565680 /nfs/dbraw/zinc/56/56/80/569565680.db2.gz VSFIOBJRBYCAKB-UHFFFAOYSA-N 1 0 445.545 2.713 50 5 IFBARO CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035851621 521798365 /nfs/dbraw/zinc/79/83/65/521798365.db2.gz HYDLLJOQCTWYSF-FVJVTNMWSA-N 1 0 446.463 2.588 50 5 IFBARO O=C(NC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](CCOc3ccccc3)C[C@@H]12 ZINC000035870427 527494460 /nfs/dbraw/zinc/49/44/60/527494460.db2.gz LYGGWTRKOYSFNT-GMAHTHKFSA-N 1 0 436.512 2.615 50 5 IFBARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000248128210 556667823 /nfs/dbraw/zinc/66/78/23/556667823.db2.gz VTQUSRNWSGYSPE-TYZOXTDXSA-N 1 0 446.463 2.643 50 5 IFBARO CN1CCN(S(=O)(=O)c2ccc(NCCc3c[nH]c4ccccc34)c([N+](=O)[O-])c2)CC1 ZINC000036329693 569076565 /nfs/dbraw/zinc/07/65/65/569076565.db2.gz VJNORUGFOURJDR-UHFFFAOYSA-N 1 0 443.529 2.667 50 5 IFBARO CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000002346515 569281052 /nfs/dbraw/zinc/28/10/52/569281052.db2.gz MUDFLOGWSRAWHE-YDLHNXBPSA-N 1 0 446.463 2.588 50 5 IFBARO CNS(=O)(=O)c1ccc(NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000013038931 569307620 /nfs/dbraw/zinc/30/76/20/569307620.db2.gz FSXZRFPZKXYJHF-HXUWFJFHSA-N 1 0 434.518 2.761 50 5 IFBARO CNS(=O)(=O)c1ccc(NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000013038932 569307631 /nfs/dbraw/zinc/30/76/31/569307631.db2.gz FSXZRFPZKXYJHF-FQEVSTJZSA-N 1 0 434.518 2.761 50 5 IFBARO O=C(c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000002767887 569420814 /nfs/dbraw/zinc/42/08/14/569420814.db2.gz KGLCMGOKOOPRCV-HNNXBMFYSA-N 1 0 434.294 2.522 50 5 IFBARO O=[N+]([O-])c1ccc(C[N+]2(C[C@@H](O)COC[C@H]3COc4ccccc4O3)CCCC2)cc1 ZINC000003178932 569441323 /nfs/dbraw/zinc/44/13/23/569441323.db2.gz UHBFQKRQNSHARN-RTWAWAEBSA-N 1 0 429.493 2.923 50 5 IFBARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000009908003 132331643 /nfs/dbraw/zinc/33/16/43/132331643.db2.gz PLWBHLBDRYFOFT-UHFFFAOYSA-N 1 0 442.472 2.784 50 5 IFBARO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000021441806 525597869 /nfs/dbraw/zinc/59/78/69/525597869.db2.gz HGGLWEQROYZCIO-UHFFFAOYSA-N 1 0 432.502 2.528 50 5 IFBARO Cc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016000489 556572390 /nfs/dbraw/zinc/57/23/90/556572390.db2.gz MJFBFVYLUHLRPZ-UAKAABGRSA-N 1 0 446.463 2.643 50 5 IFBARO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000248337224 556680131 /nfs/dbraw/zinc/68/01/31/556680131.db2.gz PNZBCPISBINHIY-LYXWCMDISA-N 1 0 446.463 2.643 50 5 IFBARO O=C(NC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](CCOc3ccccc3)C[C@H]12 ZINC000104914835 557464693 /nfs/dbraw/zinc/46/46/93/557464693.db2.gz LYGGWTRKOYSFNT-FYYLOGMGSA-N 1 0 436.512 2.615 50 5 IFBARO Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016009829 568862686 /nfs/dbraw/zinc/86/26/86/568862686.db2.gz YUSCMPHGYDSGAM-UAKAABGRSA-N 1 0 446.463 2.643 50 5 IFBARO COCCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000169677322 568989723 /nfs/dbraw/zinc/98/97/23/568989723.db2.gz ZKTKFFXRIBTPEK-GMAHTHKFSA-N 1 0 438.528 2.611 50 5 IFBARO COC(=O)c1ccc(C[N+]2(C[C@H](O)COC[C@@H]3COc4ccccc4O3)CCCC2)cc1 ZINC000003178067 569441270 /nfs/dbraw/zinc/44/12/70/569441270.db2.gz LQKKHSYOGFXJLD-FCHUYYIVSA-N 1 0 442.532 2.801 50 5 IFBARO O=[N+]([O-])c1ccc(C[N+]2(C[C@@H](O)COC[C@@H]3COc4ccccc4O3)CCCC2)cc1 ZINC000003178930 569441319 /nfs/dbraw/zinc/44/13/19/569441319.db2.gz UHBFQKRQNSHARN-NHCUHLMSSA-N 1 0 429.493 2.923 50 5 IFBARO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000245254887 569501375 /nfs/dbraw/zinc/50/13/75/569501375.db2.gz DFFPYYJAFMBLNB-XMODTWTHSA-N 1 0 446.463 2.643 50 5 IFBARO CC[NH+](CC)CCn1c2c(c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc1=O)CCC2 ZINC000009745628 569565676 /nfs/dbraw/zinc/56/56/76/569565676.db2.gz YBFMAFGDRADYTM-UHFFFAOYSA-N 1 0 445.545 2.713 50 5 IFBARO CC[NH+](CC)[C@@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])CC(C)C ZINC000012561770 520840180 /nfs/dbraw/zinc/84/01/80/520840180.db2.gz RYDDYAFJDPKCTO-QGZVFWFLSA-N 1 0 442.582 2.784 50 5 IFBARO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016001865 556572814 /nfs/dbraw/zinc/57/28/14/556572814.db2.gz DFFPYYJAFMBLNB-UAKAABGRSA-N 1 0 446.463 2.643 50 5 IFBARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000248097008 556663847 /nfs/dbraw/zinc/66/38/47/556663847.db2.gz IHHBCBQHEQVUOZ-KCOOYEKVSA-N 1 0 446.463 2.643 50 5 IFBARO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000002765262 562930204 /nfs/dbraw/zinc/93/02/04/562930204.db2.gz TUWYFZVRAYPQFE-UHFFFAOYSA-N 1 0 444.557 2.566 50 5 IFBARO Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000138071750 568928515 /nfs/dbraw/zinc/92/85/15/568928515.db2.gz KXONZDYINQEQJK-YDLHNXBPSA-N 1 0 446.463 2.643 50 5 IFBARO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000095433127 569366500 /nfs/dbraw/zinc/36/65/00/569366500.db2.gz GXBBLSQFLLPNBX-NRFANRHFSA-N 1 0 447.557 2.936 50 5 IFBARO O[C@@H](COC[C@H]1COc2ccccc2O1)C[N+]1(Cc2ccc(Cl)cc2)CCOCC1 ZINC000003166958 569441115 /nfs/dbraw/zinc/44/11/15/569441115.db2.gz YTBDEZLOXLVEKH-RTWAWAEBSA-N 1 0 434.940 2.905 50 5 IFBARO COC(=O)c1ccc(C[N+]2(C[C@@H](O)COC[C@H]3COc4ccccc4O3)CCCC2)cc1 ZINC000003178065 569441244 /nfs/dbraw/zinc/44/12/44/569441244.db2.gz LQKKHSYOGFXJLD-YADHBBJMSA-N 1 0 442.532 2.801 50 5 IFBARO CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000245246093 569501056 /nfs/dbraw/zinc/50/10/56/569501056.db2.gz HYDLLJOQCTWYSF-RAZUEPIFSA-N 1 0 446.463 2.588 50 5 IFBARO CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000245246092 569501070 /nfs/dbraw/zinc/50/10/70/569501070.db2.gz HYDLLJOQCTWYSF-LYXWCMDISA-N 1 0 446.463 2.588 50 5 IFBARO CC(C)[C@@H](CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000012527504 519795177 /nfs/dbraw/zinc/79/51/77/519795177.db2.gz BZOHNHOUUBAXQW-MRXNPFEDSA-N 1 0 438.472 2.572 50 5 IFBARO COCCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000035894512 523363490 /nfs/dbraw/zinc/36/34/90/523363490.db2.gz ZKTKFFXRIBTPEK-JTHBVZDNSA-N 1 0 438.528 2.611 50 5 IFBARO C[NH+](C)C1(CNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CCCCCC1 ZINC000021791037 524037725 /nfs/dbraw/zinc/03/77/25/524037725.db2.gz HSVAIANLRYGEIB-UHFFFAOYSA-N 1 0 440.566 2.682 50 5 IFBARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035828589 526212916 /nfs/dbraw/zinc/21/29/16/526212916.db2.gz VTQUSRNWSGYSPE-ZHNFZGJGSA-N 1 0 446.463 2.643 50 5 IFBARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035833054 526213746 /nfs/dbraw/zinc/21/37/46/526213746.db2.gz IHHBCBQHEQVUOZ-MTXNFPGFSA-N 1 0 446.463 2.643 50 5 IFBARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000248006582 556655850 /nfs/dbraw/zinc/65/58/50/556655850.db2.gz WAPMDJIAMPNFDS-TYZOXTDXSA-N 1 0 446.463 2.643 50 5 IFBARO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000102815892 557393475 /nfs/dbraw/zinc/39/34/75/557393475.db2.gz YZHAQZXTTRKELF-MTXNFPGFSA-N 1 0 446.463 2.588 50 5 IFBARO COc1ccc([N+](=O)[O-])cc1N(C[C@@H](O)C[NH+]1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000000864230 557831889 /nfs/dbraw/zinc/83/18/89/557831889.db2.gz HLJACWICPMCAEP-SFHVURJKSA-N 1 0 449.529 2.646 50 5 IFBARO CC[C@H](O)C[NH+]1CCN(c2nc3ccccc3c3nnc(-c4ccccc4[N+](=O)[O-])n32)CC1 ZINC000034695248 557849079 /nfs/dbraw/zinc/84/90/79/557849079.db2.gz HYEAQAWATDYHMG-INIZCTEOSA-N 1 0 447.499 2.746 50 5 IFBARO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)[NH+]2CCCCC2)cc1 ZINC000057366492 569432246 /nfs/dbraw/zinc/43/22/46/569432246.db2.gz JYYZVRJLRHEDPN-IBGZPJMESA-N 1 0 434.518 2.890 50 5 IFBARO CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000245246492 569501166 /nfs/dbraw/zinc/50/11/66/569501166.db2.gz MUDFLOGWSRAWHE-RAZUEPIFSA-N 1 0 446.463 2.588 50 5 IFBARO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000245257380 569501413 /nfs/dbraw/zinc/50/14/13/569501413.db2.gz YZHAQZXTTRKELF-KCOOYEKVSA-N 1 0 446.463 2.588 50 5 IFBARO CC(C)[C@H](CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000012527505 519816210 /nfs/dbraw/zinc/81/62/10/519816210.db2.gz BZOHNHOUUBAXQW-INIZCTEOSA-N 1 0 438.472 2.572 50 5 IFBARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000248097002 556663607 /nfs/dbraw/zinc/66/36/07/556663607.db2.gz IHHBCBQHEQVUOZ-AZXNSQLWSA-N 1 0 446.463 2.643 50 5 IFBARO CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000102885483 557409319 /nfs/dbraw/zinc/40/93/19/557409319.db2.gz MUDFLOGWSRAWHE-FVJVTNMWSA-N 1 0 446.463 2.588 50 5 IFBARO CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016009802 568862652 /nfs/dbraw/zinc/86/26/52/568862652.db2.gz HYDLLJOQCTWYSF-UAKAABGRSA-N 1 0 446.463 2.588 50 5 IFBARO COc1ccc(NC(=O)CC[NH+]2CCC(C(=O)Nc3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000079111140 569326163 /nfs/dbraw/zinc/32/61/63/569326163.db2.gz DJJZFUSSMDCLHE-UHFFFAOYSA-N 1 0 427.461 2.678 50 5 IFBARO CCC[NH+]1CCN(Cc2nc3ccc([N+](=O)[O-])cc3c(=O)n2-c2cccc(OC)c2)CC1 ZINC000020155107 569353668 /nfs/dbraw/zinc/35/36/68/569353668.db2.gz PLDHKPDQKQYCRX-UHFFFAOYSA-N 1 0 437.500 2.830 50 5 IFBARO