smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000038050111 202094269 /nfs/dbraw/zinc/09/42/69/202094269.db2.gz YBDFKHHIQAPZQC-GHMZBOCLSA-N 1 0 333.797 1.796 50 5 EDBARO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000110625573 441519435 /nfs/dbraw/zinc/51/94/35/441519435.db2.gz JAFOOYAQBSZXKN-OCCSQVGLSA-N 1 0 341.433 1.864 50 5 EDBARO CS(=O)(=O)NCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000089486793 441556542 /nfs/dbraw/zinc/55/65/42/441556542.db2.gz GFZFYPSFXNXOKL-UHFFFAOYSA-N 1 0 339.373 1.494 50 5 EDBARO Cc1nccn1C[C@@H]1CCCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000225597322 443115136 /nfs/dbraw/zinc/11/51/36/443115136.db2.gz HQESYUIWBTULNV-LBPRGKRZSA-N 1 0 327.348 1.811 50 5 EDBARO CC[NH+](CC)CCNC(=O)c1[nH]nc([N+](=O)[O-])c1Br ZINC000020608604 202051801 /nfs/dbraw/zinc/05/18/01/202051801.db2.gz NBKLGYNVLIAKDD-UHFFFAOYSA-N 1 0 334.174 1.152 50 5 EDBARO Cc1c(C(=O)NCc2ccc([N+](=O)[O-])cc2)nnn1C1CC[NH2+]CC1 ZINC000151093453 201389393 /nfs/dbraw/zinc/38/93/93/201389393.db2.gz OKTNUKLSXVYTPZ-UHFFFAOYSA-N 1 0 344.375 1.349 50 5 EDBARO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000090796581 203030819 /nfs/dbraw/zinc/03/08/19/203030819.db2.gz QYHBAAHLNIQRCB-NWDGAFQWSA-N 1 0 327.406 1.527 50 5 EDBARO CNS(=O)(=O)c1ccc(N[C@H]2CCC[C@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC000075146985 203308163 /nfs/dbraw/zinc/30/81/63/203308163.db2.gz ZCOVCHQHEVJHFM-WCQYABFASA-N 1 0 342.421 1.398 50 5 EDBARO [NH2+]=C(SCc1cc([N+](=O)[O-])cc2c1OCOC2)N1CCOCC1 ZINC000011252487 441119382 /nfs/dbraw/zinc/11/93/82/441119382.db2.gz HJUKBNFPCJVNBB-UHFFFAOYSA-N 1 0 339.373 1.961 50 5 EDBARO CC[N@@H+]1CCC[C@@H]1CNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000015164203 441197111 /nfs/dbraw/zinc/19/71/11/441197111.db2.gz GUAYITUENNUSDH-LLVKDONJSA-N 1 0 342.421 1.399 50 5 EDBARO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](C(C)C)[NH+](C)C ZINC000040105625 202169248 /nfs/dbraw/zinc/16/92/48/202169248.db2.gz NSBOCPKGKDPDRA-ZDUSSCGKSA-N 1 0 329.422 1.768 50 5 EDBARO CC(=O)c1ccc(Nc2cnn(C[C@@H](O)C[NH+](C)C)c2)c([N+](=O)[O-])c1 ZINC000069582399 203023051 /nfs/dbraw/zinc/02/30/51/203023051.db2.gz RKHDIYVQVOIYBQ-AWEZNQCLSA-N 1 0 347.375 1.660 50 5 EDBARO COCC[N@H+]1[C@H](C)CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H]1C ZINC000096489047 218865507 /nfs/dbraw/zinc/86/55/07/218865507.db2.gz LDSKALOQSTZQDA-TXEJJXNPSA-N 1 0 334.380 1.183 50 5 EDBARO CCN(CC(=O)NCCCC(=O)OC)Cc1ccccc1[N+](=O)[O-] ZINC000036395420 441607239 /nfs/dbraw/zinc/60/72/39/441607239.db2.gz MTYPULXDMYRYRI-UHFFFAOYSA-N 1 0 337.376 1.486 50 5 EDBARO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000095433784 441926786 /nfs/dbraw/zinc/92/67/86/441926786.db2.gz RKDQPJLYUIYFPW-HNNXBMFYSA-N 1 0 341.433 1.889 50 5 EDBARO Cc1nn(CCC(=O)N2CC[NH+](CC3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000069373523 441923848 /nfs/dbraw/zinc/92/38/48/441923848.db2.gz CVURZAGNIUGOMQ-UHFFFAOYSA-N 1 0 335.408 1.352 50 5 EDBARO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000096001960 441976329 /nfs/dbraw/zinc/97/63/29/441976329.db2.gz IBMZBJYQPHFAOF-AWEZNQCLSA-N 1 0 341.433 1.399 50 5 EDBARO CC[C@@H](O)C[NH+]1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000095443121 441928790 /nfs/dbraw/zinc/92/87/90/441928790.db2.gz OHYGQDLNXJAAQP-OAHLLOKOSA-N 1 0 336.392 1.952 50 5 EDBARO Cc1cc(C)c(S(=O)(=O)NCC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000193373491 442737203 /nfs/dbraw/zinc/73/72/03/442737203.db2.gz YGWMYJHZQQSUSZ-UHFFFAOYSA-N 1 0 341.433 1.880 50 5 EDBARO CC[N@@H+]1CCCC[C@@H]1CNc1cc(S(N)(=O)=O)ccc1[N+](=O)[O-] ZINC000585092883 448674179 /nfs/dbraw/zinc/67/41/79/448674179.db2.gz SEXNMVBZERXSHL-LLVKDONJSA-N 1 0 342.421 1.529 50 5 EDBARO CC[NH+](CC)CCNC(=O)c1ccc2nc3ccccc3c(=O)n2c1 ZINC000057477745 202722882 /nfs/dbraw/zinc/72/28/82/202722882.db2.gz FOMOVQIHTFDRJQ-UHFFFAOYSA-N 1 0 338.411 1.919 50 5 EDBARO COCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000069663424 203034297 /nfs/dbraw/zinc/03/42/97/203034297.db2.gz QOHAMZVVASRBAU-NSHDSACASA-N 1 0 341.795 1.946 50 5 EDBARO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000095433781 218376873 /nfs/dbraw/zinc/37/68/73/218376873.db2.gz NKXGFJCFTRSUJH-AWEZNQCLSA-N 1 0 339.417 1.499 50 5 EDBARO [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004544865 440920844 /nfs/dbraw/zinc/92/08/44/440920844.db2.gz KNDZCZRECXTRHP-HNNXBMFYSA-N 1 0 342.355 1.220 50 5 EDBARO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000079018932 442009903 /nfs/dbraw/zinc/00/99/03/442009903.db2.gz LBMGCTXHPQNBDL-HNNXBMFYSA-N 1 0 333.388 1.318 50 5 EDBARO Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000097229396 442188113 /nfs/dbraw/zinc/18/81/13/442188113.db2.gz AQYPQYAHAUIOOM-RYUDHWBXSA-N 1 0 327.406 1.699 50 5 EDBARO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000195574149 443034097 /nfs/dbraw/zinc/03/40/97/443034097.db2.gz PYXHYKVYZQCVGS-CYBMUJFWSA-N 1 0 341.433 1.889 50 5 EDBARO Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000097229393 325706248 /nfs/dbraw/zinc/70/62/48/325706248.db2.gz AQYPQYAHAUIOOM-NEPJUHHUSA-N 1 0 327.406 1.699 50 5 EDBARO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000025055626 202125785 /nfs/dbraw/zinc/12/57/85/202125785.db2.gz QRGOELOATXARKV-UHFFFAOYSA-N 1 0 335.408 1.742 50 5 EDBARO O=c1ccc([N+](=O)[O-])cn1C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000089861153 441587156 /nfs/dbraw/zinc/58/71/56/441587156.db2.gz OKHSUXOCFOUWTP-INIZCTEOSA-N 1 0 329.356 1.176 50 5 EDBARO Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000097229394 325706342 /nfs/dbraw/zinc/70/63/42/325706342.db2.gz AQYPQYAHAUIOOM-NWDGAFQWSA-N 1 0 327.406 1.699 50 5 EDBARO CC1(C)[C@@H](O)C[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408514031 447667364 /nfs/dbraw/zinc/66/73/64/447667364.db2.gz CKJDZIRAPZREFH-STQMWFEESA-N 1 0 328.390 1.118 50 5 EDBARO CC[NH+](CC)C[C@@H](C)NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000002781251 440876799 /nfs/dbraw/zinc/87/67/99/440876799.db2.gz LVSLIWSLLUONAT-LLVKDONJSA-N 1 0 325.413 1.645 50 5 EDBARO CC[N+](C)(CC)CCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2 ZINC000005690630 440965457 /nfs/dbraw/zinc/96/54/57/440965457.db2.gz HPXHHMJSRRRSES-UHFFFAOYSA-O 1 0 336.456 1.566 50 5 EDBARO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000577373071 321646562 /nfs/dbraw/zinc/64/65/62/321646562.db2.gz HOFHCOFHWUHIOC-HAQNSBGRSA-N 1 0 327.406 1.638 50 5 EDBARO COc1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])cc1OC ZINC000069538114 203017322 /nfs/dbraw/zinc/01/73/22/203017322.db2.gz JVXGYENOXAKMBE-QWHCGFSZSA-N 1 0 349.387 1.969 50 5 EDBARO COCCCNC(=O)CN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000036395414 441607820 /nfs/dbraw/zinc/60/78/20/441607820.db2.gz KOFPNZXVZVBYAS-UHFFFAOYSA-N 1 0 325.365 1.058 50 5 EDBARO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1N1CCOCC1 ZINC000241644669 443208031 /nfs/dbraw/zinc/20/80/31/443208031.db2.gz PSPHKHMIVKOPMK-WMLDXEAASA-N 1 0 335.404 1.626 50 5 EDBARO C[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[C@@H]1O ZINC000189655334 533921646 /nfs/dbraw/zinc/92/16/46/533921646.db2.gz IFWDOHONBGLFSX-HZMBPMFUSA-N 1 0 325.340 1.765 50 5 EDBARO CC(C)C[C@H](C[NH3+])CC(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000408525588 250302937 /nfs/dbraw/zinc/30/29/37/250302937.db2.gz GJURTPZWMMNJPQ-LBPRGKRZSA-N 1 0 325.365 1.311 50 5 EDBARO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000174024616 276073083 /nfs/dbraw/zinc/07/30/83/276073083.db2.gz YWXHJKBHHLNTGU-AWEZNQCLSA-N 1 0 341.433 1.698 50 5 EDBARO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000072286232 441221557 /nfs/dbraw/zinc/22/15/57/441221557.db2.gz ROKCTUCHZRRAPB-ZDUSSCGKSA-N 1 0 339.417 1.666 50 5 EDBARO Cc1sc(S(=O)(=O)NC[C@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000123245354 441882441 /nfs/dbraw/zinc/88/24/41/441882441.db2.gz WUQAEHFXSIMCQL-LLVKDONJSA-N 1 0 333.435 1.583 50 5 EDBARO CCCc1n[nH]c(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000073108580 216350479 /nfs/dbraw/zinc/35/04/79/216350479.db2.gz LVELWMPAGKIJAP-LBPRGKRZSA-N 1 0 335.408 1.971 50 5 EDBARO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000195544582 303424789 /nfs/dbraw/zinc/42/47/89/303424789.db2.gz WDOLRPBIJGFBFM-SCZZXKLOSA-N 1 0 333.797 1.654 50 5 EDBARO C[C@H](C1CC[NH+](C)CC1)N(C)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000095467602 441933159 /nfs/dbraw/zinc/93/31/59/441933159.db2.gz YZGKYQZMYBPFFI-GFCCVEGCSA-N 1 0 345.403 1.769 50 5 EDBARO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000069845386 442055214 /nfs/dbraw/zinc/05/52/14/442055214.db2.gz KIRSITHYQCBMCV-GFCCVEGCSA-N 1 0 325.390 1.357 50 5 EDBARO [NH3+]C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000170623246 442237510 /nfs/dbraw/zinc/23/75/10/442237510.db2.gz PEDDLKSHGVMZDS-UHFFFAOYSA-N 1 0 327.406 1.925 50 5 EDBARO Cc1ccc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000248009628 442877428 /nfs/dbraw/zinc/87/74/28/442877428.db2.gz IFVQMVAUOUJKHW-ZDUSSCGKSA-N 1 0 339.417 1.762 50 5 EDBARO C[NH+](C)CC1(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCC1 ZINC000225577114 443114093 /nfs/dbraw/zinc/11/40/93/443114093.db2.gz KDYSBYBYVQIYAF-UHFFFAOYSA-N 1 0 327.406 1.895 50 5 EDBARO NC(=O)C1([NH+]2CCCCC2)CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004624249 440922915 /nfs/dbraw/zinc/92/29/15/440922915.db2.gz BSHIPHUVEMJKOW-UHFFFAOYSA-N 1 0 332.404 1.905 50 5 EDBARO Cc1n[nH]c(C(=O)NCCc2cccc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000071896223 441187861 /nfs/dbraw/zinc/18/78/61/441187861.db2.gz XRLCWHMBGYSZPS-UHFFFAOYSA-N 1 0 331.376 1.660 50 5 EDBARO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1ccc([N+](=O)[O-])o1 ZINC000075136718 441501975 /nfs/dbraw/zinc/50/19/75/441501975.db2.gz WZGHYTBILXWMLM-UHFFFAOYSA-N 1 0 337.376 1.953 50 5 EDBARO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000109839985 441510257 /nfs/dbraw/zinc/51/02/57/441510257.db2.gz FKVYPIIORLOZOD-NSHDSACASA-N 1 0 347.824 1.963 50 5 EDBARO O=[N+]([O-])c1cc[n+]([O-])cc1N1CC[NH+](CCc2cccs2)CC1 ZINC000408522048 447672636 /nfs/dbraw/zinc/67/26/36/447672636.db2.gz CHTINBCLLFPPBQ-UHFFFAOYSA-N 1 0 334.401 1.654 50 5 EDBARO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000262746070 139300763 /nfs/dbraw/zinc/30/07/63/139300763.db2.gz DYRIYMJVKUKTIL-ZJUUUORDSA-N 1 0 347.824 1.975 50 5 EDBARO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000058156020 441154138 /nfs/dbraw/zinc/15/41/38/441154138.db2.gz CIJGGHRWMFACTQ-UHFFFAOYSA-N 1 0 327.406 1.667 50 5 EDBARO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000170684839 442248719 /nfs/dbraw/zinc/24/87/19/442248719.db2.gz MXZFDMDWNQPYMA-NOZJJQNGSA-N 1 0 331.369 1.530 50 5 EDBARO CC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]CC1 ZINC000181225839 527985616 /nfs/dbraw/zinc/98/56/16/527985616.db2.gz ZQCTZUBYLZWBMK-UHFFFAOYSA-N 1 0 347.824 1.916 50 5 EDBARO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1N1CCOCC1 ZINC000241644668 443207817 /nfs/dbraw/zinc/20/78/17/443207817.db2.gz PSPHKHMIVKOPMK-RHSMWYFYSA-N 1 0 335.404 1.626 50 5 EDBARO CC[NH+](CC)CCCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000002744810 209900698 /nfs/dbraw/zinc/90/06/98/209900698.db2.gz CWERWBCGVHHEFV-UHFFFAOYSA-N 1 0 337.376 1.843 50 5 EDBARO C[NH+](C)[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000195576809 241023614 /nfs/dbraw/zinc/02/36/14/241023614.db2.gz UDLQZUOBRLTJKE-MNOVXSKESA-N 1 0 327.406 1.893 50 5 EDBARO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000095446283 218389861 /nfs/dbraw/zinc/38/98/61/218389861.db2.gz RZRRWLSCYUVFGX-ZIAGYGMSSA-N 1 0 345.355 1.553 50 5 EDBARO O=[N+]([O-])c1ccc(OC[C@H](O)C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000000119216 258047308 /nfs/dbraw/zinc/04/73/08/258047308.db2.gz UEROOYQDAGMXDY-CQSZACIVSA-N 1 0 346.339 1.853 50 5 EDBARO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000090796582 441642546 /nfs/dbraw/zinc/64/25/46/441642546.db2.gz QYHBAAHLNIQRCB-VXGBXAGGSA-N 1 0 327.406 1.527 50 5 EDBARO COCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000069663421 442006282 /nfs/dbraw/zinc/00/62/82/442006282.db2.gz QOHAMZVVASRBAU-LLVKDONJSA-N 1 0 341.795 1.946 50 5 EDBARO C[C@H]([NH2+][C@H]1CCCC[C@H]1C(N)=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000252485810 443029553 /nfs/dbraw/zinc/02/95/53/443029553.db2.gz AJZHESPFPSKFCE-GDLCADMTSA-N 1 0 334.376 1.556 50 5 EDBARO CCc1n[nH]c(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000171804318 529468693 /nfs/dbraw/zinc/46/86/93/529468693.db2.gz MDCNOGQQMWETDP-GRYCIOLGSA-N 1 0 337.424 1.977 50 5 EDBARO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000066643226 215062239 /nfs/dbraw/zinc/06/22/39/215062239.db2.gz QOGALHOBAZRSBJ-LBPRGKRZSA-N 1 0 347.371 1.676 50 5 EDBARO Cc1ccnc(NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c1[N+](=O)[O-] ZINC000521398469 257929083 /nfs/dbraw/zinc/92/90/83/257929083.db2.gz ILDURKLERACUFA-ZDUSSCGKSA-N 1 0 333.392 1.405 50 5 EDBARO CS[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270674057 140145552 /nfs/dbraw/zinc/14/55/52/140145552.db2.gz SDDHUOZBBZBYDN-KGLIPLIRSA-N 1 0 338.433 1.171 50 5 EDBARO Cc1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000072286234 441221545 /nfs/dbraw/zinc/22/15/45/441221545.db2.gz IVLHAMCOTVQALD-GFCCVEGCSA-N 1 0 327.406 1.523 50 5 EDBARO COc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])cc1OC ZINC000069538112 441971439 /nfs/dbraw/zinc/97/14/39/441971439.db2.gz JVXGYENOXAKMBE-CHWSQXEVSA-N 1 0 349.387 1.969 50 5 EDBARO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000058007220 214469326 /nfs/dbraw/zinc/46/93/26/214469326.db2.gz CBAMAMKIMXYQGU-UHFFFAOYSA-N 1 0 327.406 1.667 50 5 EDBARO COC[C@]1(CNc2ncc([N+](=O)[O-])cc2Br)CCC[NH2+]1 ZINC000261679283 139216837 /nfs/dbraw/zinc/21/68/37/139216837.db2.gz GOFRPZGZIJYXFS-GFCCVEGCSA-N 1 0 345.197 1.933 50 5 EDBARO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000195544581 295256132 /nfs/dbraw/zinc/25/61/32/295256132.db2.gz WDOLRPBIJGFBFM-WPRPVWTQSA-N 1 0 333.797 1.654 50 5 EDBARO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000095977816 441967397 /nfs/dbraw/zinc/96/73/97/441967397.db2.gz LBQPFPGXNANSOS-VXGBXAGGSA-N 1 0 339.779 1.841 50 5 EDBARO CCC[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC[NH2+]1 ZINC000585139250 448708390 /nfs/dbraw/zinc/70/83/90/448708390.db2.gz BZFGOGKUUCQWTN-NSHDSACASA-N 1 0 327.406 1.577 50 5 EDBARO C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[C@@H]1O ZINC000189655315 237109900 /nfs/dbraw/zinc/10/99/00/237109900.db2.gz IFWDOHONBGLFSX-YGRLFVJLSA-N 1 0 325.340 1.765 50 5 EDBARO O=[N+]([O-])c1cccc(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)c1 ZINC000067218601 441618637 /nfs/dbraw/zinc/61/86/37/441618637.db2.gz MFAMNXHLJNZZIW-MRXNPFEDSA-N 1 0 337.445 1.892 50 5 EDBARO C[NH+](C)C[C@@H](O)Cn1cc(Nc2nc3ccccn3c2[N+](=O)[O-])cn1 ZINC000069618921 441991943 /nfs/dbraw/zinc/99/19/43/441991943.db2.gz YEMLBVTZNULVAB-GFCCVEGCSA-N 1 0 345.363 1.105 50 5 EDBARO C[N@H+](Cc1ccccc1)C1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000286362124 443698457 /nfs/dbraw/zinc/69/84/57/443698457.db2.gz NGZHSAOCUYJHKH-UHFFFAOYSA-N 1 0 341.371 1.409 50 5 EDBARO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431022903 447789692 /nfs/dbraw/zinc/78/96/92/447789692.db2.gz PHOUSLKOXQHEEZ-UHFFFAOYSA-N 1 0 325.390 1.359 50 5 EDBARO O=C(C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1)N1CCCCCC1 ZINC000078972571 442001689 /nfs/dbraw/zinc/00/16/89/442001689.db2.gz FYRFCCCJGAQELS-UHFFFAOYSA-N 1 0 349.435 1.906 50 5 EDBARO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1OC ZINC000003877840 210081819 /nfs/dbraw/zinc/08/18/19/210081819.db2.gz FGTQEICFEHSKTB-UHFFFAOYSA-N 1 0 338.408 1.741 50 5 EDBARO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000104377015 219381272 /nfs/dbraw/zinc/38/12/72/219381272.db2.gz RPLZNRITFYTUTJ-GFCCVEGCSA-N 1 0 341.433 1.965 50 5 EDBARO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC[NH+]1CCCC1 ZINC000069323261 215377762 /nfs/dbraw/zinc/37/77/62/215377762.db2.gz NUJQSLDXLKUSPB-UHFFFAOYSA-N 1 0 327.406 1.620 50 5 EDBARO COCC[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000069456145 215427809 /nfs/dbraw/zinc/42/78/09/215427809.db2.gz KFWBNEYYNYZCJL-LLVKDONJSA-N 1 0 341.795 1.946 50 5 EDBARO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000229349718 242156504 /nfs/dbraw/zinc/15/65/04/242156504.db2.gz WSXZXPLZLUFSQB-ZBFHGGJFSA-N 1 0 337.424 1.103 50 5 EDBARO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000236879209 139034043 /nfs/dbraw/zinc/03/40/43/139034043.db2.gz BWXSEJTZRZEEEE-UHFFFAOYSA-N 1 0 327.406 1.748 50 5 EDBARO CCc1cc(N2CC[NH2+][C@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000952993309 708038774 /nfs/dbraw/zinc/03/87/74/708038774.db2.gz WUIOGQBSKIUKLA-AWEZNQCLSA-N 1 0 343.387 1.385 50 5 EDBARO COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000003877917 277380739 /nfs/dbraw/zinc/38/07/39/277380739.db2.gz MRIHNUXPGVKEED-GHMZBOCLSA-N 1 0 336.392 1.492 50 5 EDBARO C[NH+](C)C[C@@H](O)Cn1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000070010057 441103033 /nfs/dbraw/zinc/10/30/33/441103033.db2.gz KLLVVXHHSVDMQU-CQSZACIVSA-N 1 0 348.363 1.358 50 5 EDBARO C[C@@H]1c2cc(F)ccc2CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075745288 441554044 /nfs/dbraw/zinc/55/40/44/441554044.db2.gz OZDZGEKIDAEYTI-ABAIWWIYSA-N 1 0 334.351 1.911 50 5 EDBARO CN(C[C@H](O)CN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000069619225 441991814 /nfs/dbraw/zinc/99/18/14/441991814.db2.gz MFJSYGLXALXBPL-ZDUSSCGKSA-N 1 0 342.827 1.293 50 5 EDBARO C[C@H]1CCCN(c2nc(NCCC[NH+](C)C)nc(N)c2[N+](=O)[O-])C1 ZINC000005249663 135670671 /nfs/dbraw/zinc/67/06/71/135670671.db2.gz WCCJNWPRIWBWKF-NSHDSACASA-N 1 0 337.428 1.567 50 5 EDBARO CCc1n[nH]c(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000171804316 529468232 /nfs/dbraw/zinc/46/82/32/529468232.db2.gz MDCNOGQQMWETDP-TUAOUCFPSA-N 1 0 337.424 1.977 50 5 EDBARO Cc1n[nH]c(C2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000095432622 218374640 /nfs/dbraw/zinc/37/46/40/218374640.db2.gz WHVDEEJYVJJBCC-OAHLLOKOSA-N 1 0 331.376 1.934 50 5 EDBARO Cc1cc(=O)n(C)c(=O)n1CC[N+](C)(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000002383785 440862020 /nfs/dbraw/zinc/86/20/20/440862020.db2.gz VLXXARMXZBUHMW-UHFFFAOYSA-N 1 0 347.395 1.040 50 5 EDBARO CNC(=O)[C@H]1CCC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000071920499 441197045 /nfs/dbraw/zinc/19/70/45/441197045.db2.gz SKNACVCYCRAWDN-ZDUSSCGKSA-N 1 0 344.375 1.269 50 5 EDBARO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000072286231 441221442 /nfs/dbraw/zinc/22/14/42/441221442.db2.gz ROKCTUCHZRRAPB-CYBMUJFWSA-N 1 0 339.417 1.666 50 5 EDBARO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000090796579 441643291 /nfs/dbraw/zinc/64/32/91/441643291.db2.gz QYHBAAHLNIQRCB-RYUDHWBXSA-N 1 0 327.406 1.527 50 5 EDBARO COCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000069700510 442012994 /nfs/dbraw/zinc/01/29/94/442012994.db2.gz SXXFYNWTLKYTLB-NSHDSACASA-N 1 0 325.340 1.432 50 5 EDBARO C[NH+](C)C(C)(C)CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CCC[C@H]1O ZINC000170613461 442236535 /nfs/dbraw/zinc/23/65/35/442236535.db2.gz WFWWHVAXKYDTIF-ZIAGYGMSSA-N 1 0 338.408 1.619 50 5 EDBARO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC000391891272 447518865 /nfs/dbraw/zinc/51/88/65/447518865.db2.gz BGDMJXJAKXXPMK-UHFFFAOYSA-N 1 0 339.417 1.749 50 5 EDBARO Cc1c(F)cc(S(=O)(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000097163809 218979705 /nfs/dbraw/zinc/97/97/05/218979705.db2.gz LUTJCWTZNYYXCO-MNOVXSKESA-N 1 0 345.396 1.803 50 5 EDBARO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1cccc(F)c1 ZINC000012986853 441150997 /nfs/dbraw/zinc/15/09/97/441150997.db2.gz PKJWSWDGGAWHBW-AWEZNQCLSA-N 1 0 348.334 1.455 50 5 EDBARO CC[N@@H+]1CCC[C@H]1CNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000015164205 441197288 /nfs/dbraw/zinc/19/72/88/441197288.db2.gz GUAYITUENNUSDH-NSHDSACASA-N 1 0 342.421 1.399 50 5 EDBARO Cc1c(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)cccc1[N+](=O)[O-] ZINC000065538031 441454913 /nfs/dbraw/zinc/45/49/13/441454913.db2.gz CDLFQIAVFQBWTE-UHFFFAOYSA-N 1 0 336.392 1.824 50 5 EDBARO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000096407862 442115727 /nfs/dbraw/zinc/11/57/27/442115727.db2.gz VDCVEBPEWYGMQZ-HNNXBMFYSA-N 1 0 335.404 1.726 50 5 EDBARO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000096407863 442115978 /nfs/dbraw/zinc/11/59/78/442115978.db2.gz VDCVEBPEWYGMQZ-OAHLLOKOSA-N 1 0 335.404 1.726 50 5 EDBARO CC[NH+](CC)CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000072414633 216205322 /nfs/dbraw/zinc/20/53/22/216205322.db2.gz RMURXGCFVPZDKG-UHFFFAOYSA-N 1 0 329.422 1.913 50 5 EDBARO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000023042588 212344529 /nfs/dbraw/zinc/34/45/29/212344529.db2.gz MVVGNKLYSNAEKV-UHFFFAOYSA-N 1 0 335.408 1.742 50 5 EDBARO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cc(Cl)c([N+](=O)[O-])c2[nH]cnc21 ZINC000008684187 284124275 /nfs/dbraw/zinc/12/42/75/284124275.db2.gz YTMAQHHWGOVABH-LLVKDONJSA-N 1 0 349.778 1.949 50 5 EDBARO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000079050337 217181833 /nfs/dbraw/zinc/18/18/33/217181833.db2.gz VYSCHNLVHZZYBS-UHFFFAOYSA-N 1 0 348.447 1.622 50 5 EDBARO COC(=O)[C@]1(C)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000281899567 258013731 /nfs/dbraw/zinc/01/37/31/258013731.db2.gz AEJACDGKFNDFAM-QLJPJBMISA-N 1 0 335.360 1.325 50 5 EDBARO Cc1ccc([C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[NH+]2CCCC2)o1 ZINC000065623074 441472776 /nfs/dbraw/zinc/47/27/76/441472776.db2.gz PYVONMKSYYMUCT-ZDUSSCGKSA-N 1 0 347.375 1.646 50 5 EDBARO CN1CC[NH+](CCCn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000170599535 442233759 /nfs/dbraw/zinc/23/37/59/442233759.db2.gz QLQSMURDQAQWBI-UHFFFAOYSA-N 1 0 332.202 1.191 50 5 EDBARO C[C@@H]1CC[C@@H](CN2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)O1 ZINC000225596798 443114497 /nfs/dbraw/zinc/11/44/97/443114497.db2.gz AZRBXQKXFLBFFY-CJNGLKHVSA-N 1 0 333.388 1.920 50 5 EDBARO CC[N+](CC)(CCO)CCCN1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O ZINC000100657036 219103515 /nfs/dbraw/zinc/10/35/15/219103515.db2.gz VJXSHVFXVIIDDD-GJZGRUSLSA-N 1 0 343.875 1.743 50 5 EDBARO C[NH+](C)C=CC1=C([N+](=O)[O-])[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000019227824 212006662 /nfs/dbraw/zinc/00/66/62/212006662.db2.gz DUEXZWMRFDSPRW-NNNHXZLVSA-N 1 0 333.304 1.512 50 5 EDBARO CC[N+](CC)(CCO)CCCN1C(=O)[C@@H]2CC=C(Cl)C[C@@H]2C1=O ZINC000100657032 441152415 /nfs/dbraw/zinc/15/24/15/441152415.db2.gz VJXSHVFXVIIDDD-CABCVRRESA-N 1 0 343.875 1.743 50 5 EDBARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000041761480 441672040 /nfs/dbraw/zinc/67/20/40/441672040.db2.gz GOQLAQPTCXQXKP-OAHLLOKOSA-N 1 0 343.387 1.995 50 5 EDBARO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000069562293 441974924 /nfs/dbraw/zinc/97/49/24/441974924.db2.gz LWMJVVVKSCEAGG-QGZVFWFLSA-N 1 0 346.431 1.837 50 5 EDBARO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000069845387 442054605 /nfs/dbraw/zinc/05/46/05/442054605.db2.gz KIRSITHYQCBMCV-LBPRGKRZSA-N 1 0 325.390 1.357 50 5 EDBARO Cc1ccoc1C(=O)NC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000096445689 442133878 /nfs/dbraw/zinc/13/38/78/442133878.db2.gz ONCTZKPRCPFIOI-UHFFFAOYSA-N 1 0 347.375 1.587 50 5 EDBARO [NH3+]C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000160159550 303393433 /nfs/dbraw/zinc/39/34/33/303393433.db2.gz WCYBWXDKNVNAME-CQSZACIVSA-N 1 0 327.406 1.781 50 5 EDBARO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCOCC2)C[C@@H](C)[NH2+]1 ZINC000004599822 440922372 /nfs/dbraw/zinc/92/23/72/440922372.db2.gz SXEODHPFMLTBQZ-CHWSQXEVSA-N 1 0 348.403 1.254 50 5 EDBARO CC1CC[NH+](C[C@H](O)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000096435838 442128883 /nfs/dbraw/zinc/12/88/83/442128883.db2.gz GNGZVQNTIFXLDO-INIZCTEOSA-N 1 0 345.403 1.946 50 5 EDBARO Cc1ccnc(NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c1[N+](=O)[O-] ZINC000521398468 448979881 /nfs/dbraw/zinc/97/98/81/448979881.db2.gz ILDURKLERACUFA-CYBMUJFWSA-N 1 0 333.392 1.405 50 5 EDBARO O=[N+]([O-])c1ccccc1CN1CCC([NH+]2CCN(CCO)CC2)CC1 ZINC000004703462 210252891 /nfs/dbraw/zinc/25/28/91/210252891.db2.gz AVBSRQKFYQUYQC-UHFFFAOYSA-N 1 0 348.447 1.169 50 5 EDBARO CC1(C)CC(NC(=O)Cn2cccc([N+](=O)[O-])c2=O)CC(C)(C)[NH2+]1 ZINC000000104899 209423148 /nfs/dbraw/zinc/42/31/48/209423148.db2.gz CUILPTBDZLFFHZ-UHFFFAOYSA-N 1 0 336.392 1.182 50 5 EDBARO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000095433864 218376572 /nfs/dbraw/zinc/37/65/72/218376572.db2.gz RYQJJJRVWFWBPK-ZIAGYGMSSA-N 1 0 341.433 1.887 50 5 EDBARO O=[N+]([O-])c1cc(Cl)c(Cl)cc1NCC[NH+](CCO)CCO ZINC000004760359 210271776 /nfs/dbraw/zinc/27/17/76/210271776.db2.gz CNQWRZRBVOAZQM-UHFFFAOYSA-N 1 0 338.191 1.600 50 5 EDBARO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH+](CCOCCO)CC1 ZINC000002893762 440882408 /nfs/dbraw/zinc/88/24/08/440882408.db2.gz OANUUVRSUMUBAP-HWKANZROSA-N 1 0 335.404 1.235 50 5 EDBARO Cc1c([C@@H](C)[NH2+]CCN2CCCS2(=O)=O)cccc1[N+](=O)[O-] ZINC000089519393 441558389 /nfs/dbraw/zinc/55/83/89/441558389.db2.gz VXCRMNWSLSVBII-GFCCVEGCSA-N 1 0 327.406 1.589 50 5 EDBARO C[N@@H+](Cc1ccc(F)c(F)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000076082269 441595196 /nfs/dbraw/zinc/59/51/96/441595196.db2.gz WSVMBXFBAAKFGM-LBPRGKRZSA-N 1 0 326.303 1.562 50 5 EDBARO CN(C(=S)NC(=O)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000003323408 210007440 /nfs/dbraw/zinc/00/74/40/210007440.db2.gz OVBPJSONTCDBRI-UHFFFAOYSA-N 1 0 336.417 1.636 50 5 EDBARO CNc1ccc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)NC3=O)cc1[N+](=O)[O-] ZINC000095406463 218342265 /nfs/dbraw/zinc/34/22/65/218342265.db2.gz WYHJKIMBDUJETE-BDJLRTHQSA-N 1 0 347.375 1.104 50 5 EDBARO COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000003877915 274096248 /nfs/dbraw/zinc/09/62/48/274096248.db2.gz MRIHNUXPGVKEED-QWRGUYRKSA-N 1 0 336.392 1.492 50 5 EDBARO CS(=O)(=O)c1cccc(N2CCC([NH2+]C3CC3)CC2)c1[N+](=O)[O-] ZINC000096487423 278121073 /nfs/dbraw/zinc/12/10/73/278121073.db2.gz HZMKWXBCDLKZSQ-UHFFFAOYSA-N 1 0 339.417 1.719 50 5 EDBARO COc1cc(OCC(=O)N(C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000069520267 441962330 /nfs/dbraw/zinc/96/23/30/441962330.db2.gz CAQUFUHUHZOOSP-UHFFFAOYSA-N 1 0 337.376 1.535 50 5 EDBARO COC(=O)c1cc(C(=O)NC2CC[NH+](C3CC3)CC2)cc([N+](=O)[O-])c1 ZINC000009961569 211138030 /nfs/dbraw/zinc/13/80/30/211138030.db2.gz VUYJOAOCAPBAFQ-UHFFFAOYSA-N 1 0 347.371 1.738 50 5 EDBARO C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000090798944 441644149 /nfs/dbraw/zinc/64/41/49/441644149.db2.gz OLDBLZYUJNUZKA-SMDDNHRTSA-N 1 0 327.406 1.669 50 5 EDBARO CCN(CC)S(=O)(=O)c1ccc(NCC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC000069842761 442053405 /nfs/dbraw/zinc/05/34/05/442053405.db2.gz XBMZJZMYEWMNNK-UHFFFAOYSA-N 1 0 344.437 1.775 50 5 EDBARO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000097113567 442171223 /nfs/dbraw/zinc/17/12/23/442171223.db2.gz ZAEHXPWJPFAFKB-UHFFFAOYSA-N 1 0 335.408 1.909 50 5 EDBARO C[NH+](C)C(C)(C)CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CCC[C@@H]1O ZINC000170613460 442236550 /nfs/dbraw/zinc/23/65/50/442236550.db2.gz WFWWHVAXKYDTIF-KBPBESRZSA-N 1 0 338.408 1.619 50 5 EDBARO CC1(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC000181226765 527985988 /nfs/dbraw/zinc/98/59/88/527985988.db2.gz HOMUQGICFDXPFC-UHFFFAOYSA-N 1 0 331.369 1.402 50 5 EDBARO Cc1c(F)cc(S(=O)(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000097163811 218979634 /nfs/dbraw/zinc/97/96/34/218979634.db2.gz LUTJCWTZNYYXCO-GHMZBOCLSA-N 1 0 345.396 1.803 50 5 EDBARO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000195544584 303427376 /nfs/dbraw/zinc/42/73/76/303427376.db2.gz WDOLRPBIJGFBFM-PSASIEDQSA-N 1 0 333.797 1.654 50 5 EDBARO Cc1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000065553546 441458581 /nfs/dbraw/zinc/45/85/81/441458581.db2.gz FYEBLAPINSHPGL-HOCLYGCPSA-N 1 0 348.403 1.966 50 5 EDBARO O=C(Nc1ccccn1)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000096448403 442134117 /nfs/dbraw/zinc/13/41/17/442134117.db2.gz BLOWJMFDUIBGJV-UHFFFAOYSA-N 1 0 344.375 1.537 50 5 EDBARO COc1ccc(NC(=O)C[NH2+][C@H]2CCC[C@@]2(C)CO)c([N+](=O)[O-])c1 ZINC000097105343 442169345 /nfs/dbraw/zinc/16/93/45/442169345.db2.gz UASHBIQEFIUGPA-HOCLYGCPSA-N 1 0 337.376 1.683 50 5 EDBARO C[N@H+]1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000585136334 448706383 /nfs/dbraw/zinc/70/63/83/448706383.db2.gz ASTXJYNVJDQBHM-TXEJJXNPSA-N 1 0 338.795 1.965 50 5 EDBARO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000095433863 218376894 /nfs/dbraw/zinc/37/68/94/218376894.db2.gz RYQJJJRVWFWBPK-KBPBESRZSA-N 1 0 341.433 1.887 50 5 EDBARO [NH3+]C1(CO)CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090092947 441620534 /nfs/dbraw/zinc/62/05/34/441620534.db2.gz GIGGJQVYFMRRLI-UHFFFAOYSA-N 1 0 328.372 1.947 50 5 EDBARO C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000090798945 441643903 /nfs/dbraw/zinc/64/39/03/441643903.db2.gz OLDBLZYUJNUZKA-BXUZGUMPSA-N 1 0 327.406 1.669 50 5 EDBARO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000042580359 441754673 /nfs/dbraw/zinc/75/46/73/441754673.db2.gz WQJHLNIMFMPKCT-MRXNPFEDSA-N 1 0 349.435 1.300 50 5 EDBARO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000069779796 442040425 /nfs/dbraw/zinc/04/04/25/442040425.db2.gz NSYCWGAMNKAMNS-NSHDSACASA-N 1 0 337.376 1.778 50 5 EDBARO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000097050478 442161555 /nfs/dbraw/zinc/16/15/55/442161555.db2.gz JAPRAQPKJWPYOO-UHFFFAOYSA-N 1 0 327.344 1.534 50 5 EDBARO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1N1CCOCC1 ZINC000177262637 442321657 /nfs/dbraw/zinc/32/16/57/442321657.db2.gz PSPHKHMIVKOPMK-YOEHRIQHSA-N 1 0 335.404 1.626 50 5 EDBARO CNS(=O)(=O)c1ccc(NC[C@](C)([NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000069700800 215540080 /nfs/dbraw/zinc/54/00/80/215540080.db2.gz JTGFHNNHZDBIKR-ZDUSSCGKSA-N 1 0 328.394 1.042 50 5 EDBARO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000003887616 284753129 /nfs/dbraw/zinc/75/31/29/284753129.db2.gz ODNKDPUHYONPMH-UHFFFAOYSA-N 1 0 342.421 1.035 50 5 EDBARO CNc1ccc(C[NH2+][C@H]2CCCc3c2cnn3CCO)cc1[N+](=O)[O-] ZINC000071792552 441154261 /nfs/dbraw/zinc/15/42/61/441154261.db2.gz YRODPKZKUCMRLU-AWEZNQCLSA-N 1 0 345.403 1.993 50 5 EDBARO Nc1nonc1OCC[NH2+]CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000059384047 441227854 /nfs/dbraw/zinc/22/78/54/441227854.db2.gz XLOAIMYULUEPIO-UHFFFAOYSA-N 1 0 342.743 1.294 50 5 EDBARO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000108364802 441448368 /nfs/dbraw/zinc/44/83/68/441448368.db2.gz LBQPFPGXNANSOS-RYUDHWBXSA-N 1 0 339.779 1.841 50 5 EDBARO Cc1ccc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000069444404 441938727 /nfs/dbraw/zinc/93/87/27/441938727.db2.gz IFVQMVAUOUJKHW-CYBMUJFWSA-N 1 0 339.417 1.762 50 5 EDBARO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000096009814 441980224 /nfs/dbraw/zinc/98/02/24/441980224.db2.gz VRUARNYJDULMHC-CABCVRRESA-N 1 0 335.404 1.505 50 5 EDBARO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N(Cc1ccccc1)[C@H]1C[NH+]2CCC1CC2 ZINC000069901097 442070532 /nfs/dbraw/zinc/07/05/32/442070532.db2.gz GNCJUJRHRTWKAO-IKGGRYGDSA-N 1 0 329.400 1.775 50 5 EDBARO COc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])cc1OC ZINC000229605227 536508213 /nfs/dbraw/zinc/50/82/13/536508213.db2.gz JVXGYENOXAKMBE-OLZOCXBDSA-N 1 0 349.387 1.969 50 5 EDBARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000069844309 203056964 /nfs/dbraw/zinc/05/69/64/203056964.db2.gz ZGNXAGSGKMJDHL-ZDUSSCGKSA-N 1 0 339.367 1.917 50 5 EDBARO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000097115476 442171597 /nfs/dbraw/zinc/17/15/97/442171597.db2.gz XMSKODKLTRZLCD-TZMCWYRMSA-N 1 0 339.417 1.593 50 5 EDBARO CC(C)C[C@H](Nc1ncccc1[N+](=O)[O-])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000585141877 448711077 /nfs/dbraw/zinc/71/10/77/448711077.db2.gz HHHOSTLNOQECIX-KGLIPLIRSA-N 1 0 349.435 1.979 50 5 EDBARO [NH3+]CC1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000170051084 486168769 /nfs/dbraw/zinc/16/87/69/486168769.db2.gz CCHHJXBOGARAEY-VGPLMAKISA-N 1 0 325.390 1.485 50 5 EDBARO C[NH+]1CCC2(CC1)OCCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000013691369 441164511 /nfs/dbraw/zinc/16/45/11/441164511.db2.gz DXWCKXUMCQZPEA-UHFFFAOYSA-N 1 0 335.360 1.254 50 5 EDBARO O=[N+]([O-])c1cccc(OCCN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000065621663 441472072 /nfs/dbraw/zinc/47/20/72/441472072.db2.gz XVDFPAJPUHFMSY-IAGOWNOFSA-N 1 0 335.404 1.505 50 5 EDBARO Cc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000065553547 441458539 /nfs/dbraw/zinc/45/85/39/441458539.db2.gz FYEBLAPINSHPGL-GDBMZVCRSA-N 1 0 348.403 1.966 50 5 EDBARO O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000090550798 441633781 /nfs/dbraw/zinc/63/37/81/441633781.db2.gz BCXZENPDFWRTAQ-OAHLLOKOSA-N 1 0 334.420 1.564 50 5 EDBARO CC[NH+](CC)CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000041748330 441671204 /nfs/dbraw/zinc/67/12/04/441671204.db2.gz WVJUPIGOWNZNBT-UHFFFAOYSA-N 1 0 331.376 1.852 50 5 EDBARO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000178750436 442474077 /nfs/dbraw/zinc/47/40/77/442474077.db2.gz FVAVZQTZWHXICM-HNNXBMFYSA-N 1 0 343.387 1.863 50 5 EDBARO C[C@H]1C[C@H](C)C[NH+](CCNc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000032935529 202244112 /nfs/dbraw/zinc/24/41/12/202244112.db2.gz MXQBMUXTACRWKD-STQMWFEESA-N 1 0 345.403 1.993 50 5 EDBARO C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000090796580 203030932 /nfs/dbraw/zinc/03/09/32/203030932.db2.gz QYHBAAHLNIQRCB-NEPJUHHUSA-N 1 0 327.406 1.527 50 5 EDBARO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000069562295 203018499 /nfs/dbraw/zinc/01/84/99/203018499.db2.gz LWMJVVVKSCEAGG-KRWDZBQOSA-N 1 0 346.431 1.837 50 5 EDBARO O=[N+]([O-])c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000000119220 440800255 /nfs/dbraw/zinc/80/02/55/440800255.db2.gz UEROOYQDAGMXDY-AWEZNQCLSA-N 1 0 346.339 1.853 50 5 EDBARO CC[NH+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000014195878 441178545 /nfs/dbraw/zinc/17/85/45/441178545.db2.gz BRBIUZREUYMENV-UHFFFAOYSA-N 1 0 326.784 1.824 50 5 EDBARO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(Cc1ccccc1)[C@H]1C[NH+]2CCC1CC2 ZINC000247368375 442850192 /nfs/dbraw/zinc/85/01/92/442850192.db2.gz GNCJUJRHRTWKAO-ZACQAIPSSA-N 1 0 329.400 1.775 50 5 EDBARO CC(C)(CO)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000239672678 443200594 /nfs/dbraw/zinc/20/05/94/443200594.db2.gz BURGHTVEUSMEFD-HZPDHXFCSA-N 1 0 348.403 1.502 50 5 EDBARO C[C@@H]1CN(C(=O)CN(C)CCc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000240551531 443203482 /nfs/dbraw/zinc/20/34/82/443203482.db2.gz GUKMMGVTGKWVOI-OKILXGFUSA-N 1 0 335.404 1.705 50 5 EDBARO CNS(=O)(=O)c1ccc(N(C)[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000072296179 203196345 /nfs/dbraw/zinc/19/63/45/203196345.db2.gz WLSNENXNXPZEBY-NSHDSACASA-N 1 0 342.421 1.033 50 5 EDBARO O=[N+]([O-])c1ccccc1N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000096483629 285162763 /nfs/dbraw/zinc/16/27/63/285162763.db2.gz KYMCVPFWLKTYCD-ZDUSSCGKSA-N 1 0 339.417 1.340 50 5 EDBARO CC[NH+](CC)C[C@@H](C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000058024301 441148930 /nfs/dbraw/zinc/14/89/30/441148930.db2.gz VCPBCRVXGLALFL-SNVBAGLBSA-N 1 0 330.410 1.384 50 5 EDBARO CC[N+](CC)(CCO)CCCN1C(=O)[C@@H]2CC(Cl)=CC[C@@H]2C1=O ZINC000100657042 441152462 /nfs/dbraw/zinc/15/24/62/441152462.db2.gz VJXSHVFXVIIDDD-LSDHHAIUSA-N 1 0 343.875 1.743 50 5 EDBARO O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000269218406 443237050 /nfs/dbraw/zinc/23/70/50/443237050.db2.gz LUHYYWATWOCOIH-UHFFFAOYSA-N 1 0 342.359 1.314 50 5 EDBARO CC[NH+](CC)C[C@H](C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000058024304 214473178 /nfs/dbraw/zinc/47/31/78/214473178.db2.gz VCPBCRVXGLALFL-JTQLQIEISA-N 1 0 330.410 1.384 50 5 EDBARO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000069845285 203056935 /nfs/dbraw/zinc/05/69/35/203056935.db2.gz MEMJLWAOJSDQHT-AWEZNQCLSA-N 1 0 337.424 1.789 50 5 EDBARO COC[C@@]1(CNc2ncc([N+](=O)[O-])cc2Br)CCC[NH2+]1 ZINC000261679284 139216734 /nfs/dbraw/zinc/21/67/34/139216734.db2.gz GOFRPZGZIJYXFS-LBPRGKRZSA-N 1 0 345.197 1.933 50 5 EDBARO C[C@@H]1CCc2c(sc3nc(C[N+]45CCN(CC4)CC5)[nH]c(=O)c23)C1 ZINC000006653374 277804919 /nfs/dbraw/zinc/80/49/19/277804919.db2.gz KMGUGXSXSMJDCF-GFCCVEGCSA-O 1 0 345.492 1.755 50 5 EDBARO CN1CC[NH+](CCCNc2c3ccccc3oc(=O)c2[N+](=O)[O-])CC1 ZINC000003896376 440908341 /nfs/dbraw/zinc/90/83/41/440908341.db2.gz JKTMNPGWRZOVJZ-UHFFFAOYSA-N 1 0 346.387 1.751 50 5 EDBARO CC(C)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCN(C)CC1 ZINC000012918270 441147874 /nfs/dbraw/zinc/14/78/74/441147874.db2.gz ZHQBMFLAKNWHIU-INIZCTEOSA-N 1 0 349.435 1.988 50 5 EDBARO Cc1nn(C)c(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000079353717 442041328 /nfs/dbraw/zinc/04/13/28/442041328.db2.gz TXRAJWXJRHMIDQ-OAHLLOKOSA-N 1 0 345.403 1.468 50 5 EDBARO CC(C)C[C@H](Nc1ncccc1[N+](=O)[O-])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000585141876 448710960 /nfs/dbraw/zinc/71/09/60/448710960.db2.gz HHHOSTLNOQECIX-KBPBESRZSA-N 1 0 349.435 1.979 50 5 EDBARO COc1cc([N+](=O)[O-])ccc1N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000204000596 485501266 /nfs/dbraw/zinc/50/12/66/485501266.db2.gz UQTCIVXKZRYJMQ-UHFFFAOYSA-N 1 0 334.420 1.820 50 5 EDBARO Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000040160732 202185863 /nfs/dbraw/zinc/18/58/63/202185863.db2.gz PRYUOTGIFWIAMH-SJORKVTESA-N 1 0 346.383 1.966 50 5 EDBARO CNS(=O)(=O)c1ccc(NC[C@@](C)([NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000069700799 203038856 /nfs/dbraw/zinc/03/88/56/203038856.db2.gz JTGFHNNHZDBIKR-CYBMUJFWSA-N 1 0 328.394 1.042 50 5 EDBARO CN(C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)S(C)(=O)=O ZINC000253417321 243941849 /nfs/dbraw/zinc/94/18/49/243941849.db2.gz SLIBIRKEBOQJEB-CQSZACIVSA-N 1 0 341.433 1.698 50 5 EDBARO CC[N@H+](CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000071185870 203087148 /nfs/dbraw/zinc/08/71/48/203087148.db2.gz SLIBWNGUQYMKIJ-UHFFFAOYSA-N 1 0 343.387 1.995 50 5 EDBARO O=c1c([N+](=O)[O-])c(N2CC[NH+](C3CCCC3)CC2)nc2ccccn21 ZINC000012906384 275042878 /nfs/dbraw/zinc/04/28/78/275042878.db2.gz JDQNFDKXAJZOIF-UHFFFAOYSA-N 1 0 343.387 1.667 50 5 EDBARO NC(=[NH2+])SCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000004015668 440909025 /nfs/dbraw/zinc/90/90/25/440909025.db2.gz FDYFUAVSHXIABJ-UHFFFAOYSA-N 1 0 333.167 1.922 50 5 EDBARO CC[N@@H+]1CCC[C@H](Nc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])C1 ZINC000078680187 441961970 /nfs/dbraw/zinc/96/19/70/441961970.db2.gz SGHZERHHVPAUQY-NSHDSACASA-N 1 0 342.421 1.399 50 5 EDBARO Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000040160733 202185629 /nfs/dbraw/zinc/18/56/29/202185629.db2.gz PRYUOTGIFWIAMH-IRXDYDNUSA-N 1 0 346.383 1.966 50 5 EDBARO CCN1CC[NH+](CCCCNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000069897972 203062672 /nfs/dbraw/zinc/06/26/72/203062672.db2.gz WUVLAOKSLPFQFA-UHFFFAOYSA-N 1 0 340.449 1.804 50 5 EDBARO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000262746067 139300735 /nfs/dbraw/zinc/30/07/35/139300735.db2.gz DYRIYMJVKUKTIL-VHSXEESVSA-N 1 0 347.824 1.975 50 5 EDBARO CC(C)[NH2+]C1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000057838434 441137471 /nfs/dbraw/zinc/13/74/71/441137471.db2.gz PRJTZGIODMNVDO-UHFFFAOYSA-N 1 0 342.421 1.209 50 5 EDBARO CNS(=O)(=O)c1ccc(NC[C@@](C)([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000075612227 441541992 /nfs/dbraw/zinc/54/19/92/441541992.db2.gz TXTVEQRTRNKJRU-CYBMUJFWSA-N 1 0 330.410 1.288 50 5 EDBARO C[NH+](C)CC(=O)N1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000069437578 203000524 /nfs/dbraw/zinc/00/05/24/203000524.db2.gz FJGNZIGEUVYZAJ-UHFFFAOYSA-N 1 0 343.387 1.353 50 5 EDBARO C[C@@H](Nc1nc2ccccn2c(=O)c1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000072296162 203197015 /nfs/dbraw/zinc/19/70/15/203197015.db2.gz DMMCISSAWYVZOO-LLVKDONJSA-N 1 0 333.392 1.991 50 5 EDBARO CNC(=O)[C@@H]1CCC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000071920498 441196997 /nfs/dbraw/zinc/19/69/97/441196997.db2.gz SKNACVCYCRAWDN-CYBMUJFWSA-N 1 0 344.375 1.269 50 5 EDBARO C[NH+](C)C[C@@H](O)Cn1cc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000072271310 441214640 /nfs/dbraw/zinc/21/46/40/441214640.db2.gz NMIUEYCEXKNYFU-CQSZACIVSA-N 1 0 348.363 1.358 50 5 EDBARO CC(C)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000032760681 441569747 /nfs/dbraw/zinc/56/97/47/441569747.db2.gz XUSVFLSTNSEQSV-INIZCTEOSA-N 1 0 349.435 1.378 50 5 EDBARO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000095941392 441954105 /nfs/dbraw/zinc/95/41/05/441954105.db2.gz AJZHESPFPSKFCE-BPNCWPANSA-N 1 0 334.376 1.556 50 5 EDBARO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC[NH2+]1 ZINC000585139249 448708988 /nfs/dbraw/zinc/70/89/88/448708988.db2.gz BZFGOGKUUCQWTN-LLVKDONJSA-N 1 0 327.406 1.577 50 5 EDBARO COCC[NH+]1CCC(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000097259123 219006238 /nfs/dbraw/zinc/00/62/38/219006238.db2.gz VDTAQYUHGXTKAE-WAYWQWQTSA-N 1 0 333.388 1.835 50 5 EDBARO O=[N+]([O-])c1ccc(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)cc1 ZINC000378249482 158119955 /nfs/dbraw/zinc/11/99/55/158119955.db2.gz GRWPNRNKCOZJLL-UHFFFAOYSA-N 1 0 325.390 1.500 50 5 EDBARO CN(C)c1cccc2c1cccc2S(=O)(=O)NCC[N+](C)(C)C ZINC000002391114 289418433 /nfs/dbraw/zinc/41/84/33/289418433.db2.gz YDXJGZOGFFBWLX-UHFFFAOYSA-N 1 0 336.481 1.890 50 5 EDBARO CC(C)C[C@H](CNc1nc2ccccn2c(=O)c1[N+](=O)[O-])[NH+](C)C ZINC000012854760 441145382 /nfs/dbraw/zinc/14/53/82/441145382.db2.gz ALERLFKSDIXXNV-GFCCVEGCSA-N 1 0 333.392 1.991 50 5 EDBARO COc1ccc(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000065541845 441455270 /nfs/dbraw/zinc/45/52/70/441455270.db2.gz CKKYFYRAIIGENI-JTQLQIEISA-N 1 0 343.405 1.364 50 5 EDBARO CN(C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)S(C)(=O)=O ZINC000253417317 443061972 /nfs/dbraw/zinc/06/19/72/443061972.db2.gz SLIBIRKEBOQJEB-AWEZNQCLSA-N 1 0 341.433 1.698 50 5 EDBARO C[C@@H]1CN(C(=O)CN(C)CCc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000240551532 443202938 /nfs/dbraw/zinc/20/29/38/443202938.db2.gz GUKMMGVTGKWVOI-ZIAGYGMSSA-N 1 0 335.404 1.705 50 5 EDBARO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1[N+](=O)[O-] ZINC000262745887 443210399 /nfs/dbraw/zinc/21/03/99/443210399.db2.gz DQUOASRIPFJTKC-VXGBXAGGSA-N 1 0 327.406 1.488 50 5 EDBARO COC1CC[NH+](CCNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000080000146 217270600 /nfs/dbraw/zinc/27/06/00/217270600.db2.gz ZHQRPWVRPKWCML-UHFFFAOYSA-N 1 0 325.340 1.575 50 5 EDBARO Cc1ccc(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)c([N+](=O)[O-])c1 ZINC000095432048 218374900 /nfs/dbraw/zinc/37/49/00/218374900.db2.gz WVWFUMMDFPLKBJ-ZDUSSCGKSA-N 1 0 335.385 1.882 50 5 EDBARO C[NH+](C)C[C@H](O)Cn1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000070010055 441103147 /nfs/dbraw/zinc/10/31/47/441103147.db2.gz KLLVVXHHSVDMQU-AWEZNQCLSA-N 1 0 348.363 1.358 50 5 EDBARO CC[NH+]1CCC(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000014096797 441171036 /nfs/dbraw/zinc/17/10/36/441171036.db2.gz KDBCHOGNWKGCLX-UHFFFAOYSA-N 1 0 343.405 1.366 50 5 EDBARO Cc1nn(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c(C)c1[N+](=O)[O-] ZINC000058181309 441156793 /nfs/dbraw/zinc/15/67/93/441156793.db2.gz FJRHKJIFLGMKLH-MRXNPFEDSA-N 1 0 330.388 1.827 50 5 EDBARO CNC(=O)C[NH+]1CCC(CN(C)c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074765079 441464310 /nfs/dbraw/zinc/46/43/10/441464310.db2.gz YURGDTNMVQRDRX-UHFFFAOYSA-N 1 0 335.408 1.192 50 5 EDBARO Cc1c([C@H](C)[NH2+]CCN2CCCS2(=O)=O)cccc1[N+](=O)[O-] ZINC000089519394 441558148 /nfs/dbraw/zinc/55/81/48/441558148.db2.gz VXCRMNWSLSVBII-LBPRGKRZSA-N 1 0 327.406 1.589 50 5 EDBARO C[NH+](C)CCN1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000069571289 441977961 /nfs/dbraw/zinc/97/79/61/441977961.db2.gz NVAGXFCMMAKMKA-CMDGGOBGSA-N 1 0 346.431 1.704 50 5 EDBARO NC(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCOCC1 ZINC000097103850 442169867 /nfs/dbraw/zinc/16/98/67/442169867.db2.gz CYVZBKLHOQDOPM-UHFFFAOYSA-N 1 0 327.768 1.620 50 5 EDBARO C[C@H]1C[C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000097115525 442171468 /nfs/dbraw/zinc/17/14/68/442171468.db2.gz ABVCDVLXEXEMOA-AAEUAGOBSA-N 1 0 339.417 1.639 50 5 EDBARO CC[NH+](CC)CCCNC(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C ZINC000003108907 209964766 /nfs/dbraw/zinc/96/47/66/209964766.db2.gz FCWJBZQCSUOBTP-UHFFFAOYSA-N 1 0 331.804 1.601 50 5 EDBARO C[NH+]1CCC(CNC(=O)CCn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000071792363 215828548 /nfs/dbraw/zinc/82/85/48/215828548.db2.gz QSJIIKLMIVQKDQ-UHFFFAOYSA-N 1 0 345.403 1.793 50 5 EDBARO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000230141684 242237460 /nfs/dbraw/zinc/23/74/60/242237460.db2.gz ALBTWRXTXGZYPE-ZLKJLUDKSA-N 1 0 325.390 1.343 50 5 EDBARO CN(c1ncccc1[N+](=O)[O-])C1CC[NH+](CCn2cccn2)CC1 ZINC000105791861 441270891 /nfs/dbraw/zinc/27/08/91/441270891.db2.gz ABVZWJOIMWVRQC-UHFFFAOYSA-N 1 0 330.392 1.787 50 5 EDBARO C[C@H]1c2ccc(F)cc2CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075752778 441554737 /nfs/dbraw/zinc/55/47/37/441554737.db2.gz BRMMOJZKJOWNNC-NHYWBVRUSA-N 1 0 334.351 1.911 50 5 EDBARO O=[N+]([O-])c1cccc(CN2CCC([NH+]3CCN(CCO)CC3)CC2)c1 ZINC000096402928 442113007 /nfs/dbraw/zinc/11/30/07/442113007.db2.gz CIIWCIPRCSCQBE-UHFFFAOYSA-N 1 0 348.447 1.169 50 5 EDBARO C[C@H](Nc1nc2ccccn2c(=O)c1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000072296161 216133767 /nfs/dbraw/zinc/13/37/67/216133767.db2.gz DMMCISSAWYVZOO-NSHDSACASA-N 1 0 333.392 1.991 50 5 EDBARO C[NH+](C)C(C)(C)CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000154962433 224334915 /nfs/dbraw/zinc/33/49/15/224334915.db2.gz HHVBKVOVMVRPMN-UHFFFAOYSA-N 1 0 331.376 1.851 50 5 EDBARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000041761483 441671931 /nfs/dbraw/zinc/67/19/31/441671931.db2.gz GOQLAQPTCXQXKP-HNNXBMFYSA-N 1 0 343.387 1.995 50 5 EDBARO C[C@@H]1C[NH+](CC2CCN(c3c([N+](=O)[O-])ncn3C)CC2)C[C@@H](C)O1 ZINC000069420892 441933244 /nfs/dbraw/zinc/93/32/44/441933244.db2.gz MRAKRAWBZRVBBM-CHWSQXEVSA-N 1 0 337.424 1.654 50 5 EDBARO CNc1ccc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000089396011 217793213 /nfs/dbraw/zinc/79/32/13/217793213.db2.gz CAXZAEFGAMXTGK-UHFFFAOYSA-N 1 0 342.421 1.150 50 5 EDBARO C[NH+](C)CCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000010312713 211162991 /nfs/dbraw/zinc/16/29/91/211162991.db2.gz AEYVWBKACUAQBI-UHFFFAOYSA-N 1 0 346.343 1.732 50 5 EDBARO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000069975141 441099234 /nfs/dbraw/zinc/09/92/34/441099234.db2.gz YLDBNFHCTOGVCM-LBPRGKRZSA-N 1 0 325.390 1.357 50 5 EDBARO O=C(c1cccc([N+](=O)[O-])c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000047423303 441185325 /nfs/dbraw/zinc/18/53/25/441185325.db2.gz DXWXYWLTHJGIRJ-UHFFFAOYSA-N 1 0 333.388 1.779 50 5 EDBARO NS(=O)(=O)c1ccc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000016399859 441222407 /nfs/dbraw/zinc/22/24/07/441222407.db2.gz CXFXMEIBXRRVQW-UHFFFAOYSA-N 1 0 335.385 1.575 50 5 EDBARO NS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000016401429 441223613 /nfs/dbraw/zinc/22/36/13/441223613.db2.gz JMHICGAEAVPXNK-UHFFFAOYSA-N 1 0 335.385 1.575 50 5 EDBARO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000109839983 441510497 /nfs/dbraw/zinc/51/04/97/441510497.db2.gz FKVYPIIORLOZOD-LLVKDONJSA-N 1 0 347.824 1.963 50 5 EDBARO O=C(Cn1cc([N+](=O)[O-])cn1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000032401403 441555862 /nfs/dbraw/zinc/55/58/62/441555862.db2.gz CTFOPHNCPVSYEN-UHFFFAOYSA-N 1 0 343.387 1.356 50 5 EDBARO O=[N+]([O-])c1cnc(N2CCC[C@H](C[N@H+]3CC[C@@H](O)C3)C2)c(Cl)c1 ZINC000585132691 448704313 /nfs/dbraw/zinc/70/43/13/448704313.db2.gz MOPXAEVCTRPOKJ-DGCLKSJQSA-N 1 0 340.811 1.926 50 5 EDBARO CC[NH+]1CCC(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000048287723 441286958 /nfs/dbraw/zinc/28/69/58/441286958.db2.gz WVJLSDXPKWMTEP-UHFFFAOYSA-N 1 0 342.421 1.386 50 5 EDBARO CC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000074798291 441467656 /nfs/dbraw/zinc/46/76/56/441467656.db2.gz AYMDYUIQLRRGJN-HNNXBMFYSA-N 1 0 345.403 1.946 50 5 EDBARO C[C@@H]1C[N@@H+](CC2CCN(c3c([N+](=O)[O-])ncn3C)CC2)C[C@H](C)O1 ZINC000069420890 441932656 /nfs/dbraw/zinc/93/26/56/441932656.db2.gz MRAKRAWBZRVBBM-BETUJISGSA-N 1 0 337.424 1.654 50 5 EDBARO C[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000095939961 441954960 /nfs/dbraw/zinc/95/49/60/441954960.db2.gz KKVJXSCIJVLKDS-GFCCVEGCSA-N 1 0 327.406 1.356 50 5 EDBARO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000097115477 442171584 /nfs/dbraw/zinc/17/15/84/442171584.db2.gz XMSKODKLTRZLCD-GXTWGEPZSA-N 1 0 339.417 1.593 50 5 EDBARO CN1CC[NH+](CC2CN(c3ccc([N+](=O)[O-])c4cccnc43)C2)CC1 ZINC000585092323 448674647 /nfs/dbraw/zinc/67/46/47/448674647.db2.gz PCFDBXSZIPQMBJ-UHFFFAOYSA-N 1 0 341.415 1.827 50 5 EDBARO Cn1cnc([N+](=O)[O-])c1NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000040511145 213328152 /nfs/dbraw/zinc/32/81/52/213328152.db2.gz VIDHQNYPMHCRKB-AWEZNQCLSA-N 1 0 331.376 1.159 50 5 EDBARO Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000040160734 213277139 /nfs/dbraw/zinc/27/71/39/213277139.db2.gz PRYUOTGIFWIAMH-IAGOWNOFSA-N 1 0 346.383 1.966 50 5 EDBARO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc(N3CCOCC3)nc2)cc1 ZINC000078552909 217074281 /nfs/dbraw/zinc/07/42/81/217074281.db2.gz UQVIWUIKXMZYMQ-UHFFFAOYSA-N 1 0 343.387 1.554 50 5 EDBARO O=[N+]([O-])c1ccc(N2CC[NH+](CCO)CC2)cc1N1CCCCC1 ZINC000023549909 275036210 /nfs/dbraw/zinc/03/62/10/275036210.db2.gz DNEVZPLOMTZOSW-UHFFFAOYSA-N 1 0 334.420 1.699 50 5 EDBARO COc1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])cc1OC ZINC000058299134 441175603 /nfs/dbraw/zinc/17/56/03/441175603.db2.gz JVXGYENOXAKMBE-STQMWFEESA-N 1 0 349.387 1.969 50 5 EDBARO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)c1C ZINC000069702649 442015228 /nfs/dbraw/zinc/01/52/28/442015228.db2.gz ZWWAMDXUALGNKP-CYBMUJFWSA-N 1 0 341.433 1.784 50 5 EDBARO C[N+]1(C[C@H](O)COc2ccc(Br)cc2)CCOCC1 ZINC000004279537 210160189 /nfs/dbraw/zinc/16/01/89/210160189.db2.gz SBUXJJDEGJJKOK-ZDUSSCGKSA-N 1 0 331.230 1.666 50 5 EDBARO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCCn3cncn3)CC2)nc1 ZINC000095395796 218327363 /nfs/dbraw/zinc/32/73/63/218327363.db2.gz ULGBOLSYCXULGL-UHFFFAOYSA-N 1 0 345.407 1.574 50 5 EDBARO CC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000074798293 275940393 /nfs/dbraw/zinc/94/03/93/275940393.db2.gz AYMDYUIQLRRGJN-OAHLLOKOSA-N 1 0 345.403 1.946 50 5 EDBARO COCC[NH+]1CCC(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000058264008 441166467 /nfs/dbraw/zinc/16/64/67/441166467.db2.gz VDTAQYUHGXTKAE-AATRIKPKSA-N 1 0 333.388 1.835 50 5 EDBARO Cc1ccc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000014102471 441172275 /nfs/dbraw/zinc/17/22/75/441172275.db2.gz JJODOZJUFFDVIO-UHFFFAOYSA-N 1 0 339.417 1.808 50 5 EDBARO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000221791341 443073669 /nfs/dbraw/zinc/07/36/69/443073669.db2.gz BHUURPVVEPYOIA-RBSFLKMASA-N 1 0 335.404 1.503 50 5 EDBARO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000095433862 218376302 /nfs/dbraw/zinc/37/63/02/218376302.db2.gz RYQJJJRVWFWBPK-UONOGXRCSA-N 1 0 341.433 1.887 50 5 EDBARO CN(CC[N@H+](C)C1CCCCC1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000048290534 441287520 /nfs/dbraw/zinc/28/75/20/441287520.db2.gz PBRLTXYRJLOIRD-UHFFFAOYSA-N 1 0 335.408 1.789 50 5 EDBARO CC[NH+](CC)CCCNc1nc(N)c([N+](=O)[O-])c(N2CCCC2)n1 ZINC000004306211 210165074 /nfs/dbraw/zinc/16/50/74/210165074.db2.gz SKRXECSMVQNMKM-UHFFFAOYSA-N 1 0 337.428 1.711 50 5 EDBARO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000079018936 217176127 /nfs/dbraw/zinc/17/61/27/217176127.db2.gz LBMGCTXHPQNBDL-OAHLLOKOSA-N 1 0 333.388 1.318 50 5 EDBARO Cc1ccc([N+](=O)[O-])c(OCCCC[NH2+]CCN2CCOCC2)c1 ZINC000004832426 210291184 /nfs/dbraw/zinc/29/11/84/210291184.db2.gz BSCRMBMWQSSYDT-UHFFFAOYSA-N 1 0 337.420 1.984 50 5 EDBARO COCC[NH+]1[C@H](C)CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H]1C ZINC000096489049 274035119 /nfs/dbraw/zinc/03/51/19/274035119.db2.gz LDSKALOQSTZQDA-VXGBXAGGSA-N 1 0 334.380 1.183 50 5 EDBARO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000089783365 441578900 /nfs/dbraw/zinc/57/89/00/441578900.db2.gz QQJLDKHPSKQTTN-CJNGLKHVSA-N 1 0 334.351 1.781 50 5 EDBARO COc1cc(NC[C@@H](C)N2CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000095982716 441969448 /nfs/dbraw/zinc/96/94/48/441969448.db2.gz BTVHOMNVSUAHMJ-LLVKDONJSA-N 1 0 326.372 1.790 50 5 EDBARO COCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000069456147 441941452 /nfs/dbraw/zinc/94/14/52/441941452.db2.gz KFWBNEYYNYZCJL-NSHDSACASA-N 1 0 341.795 1.946 50 5 EDBARO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000069779798 442041031 /nfs/dbraw/zinc/04/10/31/442041031.db2.gz NSYCWGAMNKAMNS-LLVKDONJSA-N 1 0 337.376 1.778 50 5 EDBARO [NH3+][C@H]1CCC[C@@]12CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000170611016 442236567 /nfs/dbraw/zinc/23/65/67/442236567.db2.gz YOJOUWAEYLTUAH-KBPBESRZSA-N 1 0 325.390 1.487 50 5 EDBARO Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)n1 ZINC000240412621 443202086 /nfs/dbraw/zinc/20/20/86/443202086.db2.gz FNKJDLUFWXWIPK-CYBMUJFWSA-N 1 0 341.371 1.953 50 5 EDBARO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1(C)CC[NH2+]CC1 ZINC000181225554 234124026 /nfs/dbraw/zinc/12/40/26/234124026.db2.gz AQKHGFNPWHAMRD-UHFFFAOYSA-N 1 0 327.406 1.571 50 5 EDBARO C[C@H]1c2ccc(F)cc2CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000110640991 220051409 /nfs/dbraw/zinc/05/14/09/220051409.db2.gz BRMMOJZKJOWNNC-XHDPSFHLSA-N 1 0 334.351 1.911 50 5 EDBARO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000262746063 139300771 /nfs/dbraw/zinc/30/07/71/139300771.db2.gz DYRIYMJVKUKTIL-NXEZZACHSA-N 1 0 347.824 1.975 50 5 EDBARO COc1ccc2c(c1)CCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000075713856 441550154 /nfs/dbraw/zinc/55/01/54/441550154.db2.gz BPBWVUVLYLQSAF-MRXNPFEDSA-N 1 0 346.387 1.609 50 5 EDBARO COc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@@]2(C)CO)c([N+](=O)[O-])c1 ZINC000097105345 442169675 /nfs/dbraw/zinc/16/96/75/442169675.db2.gz UASHBIQEFIUGPA-ZBFHGGJFSA-N 1 0 337.376 1.683 50 5 EDBARO CC[N+](CC)(CC)CCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2 ZINC000299738328 444127992 /nfs/dbraw/zinc/12/79/92/444127992.db2.gz WHEJMJCDCOUXOV-UHFFFAOYSA-O 1 0 336.456 1.978 50 5 EDBARO C[NH+]1CCC(NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000097053837 442161287 /nfs/dbraw/zinc/16/12/87/442161287.db2.gz DUXSXOXYOUTGDD-UHFFFAOYSA-N 1 0 327.406 1.151 50 5 EDBARO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000431024865 319937553 /nfs/dbraw/zinc/93/75/53/319937553.db2.gz QGTHUBBRDUWFQF-UHFFFAOYSA-N 1 0 325.390 1.359 50 5 EDBARO CC[NH+](CC)C[C@H](C)NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000002781252 209911312 /nfs/dbraw/zinc/91/13/12/209911312.db2.gz LVSLIWSLLUONAT-NSHDSACASA-N 1 0 325.413 1.645 50 5 EDBARO C[NH+](C)CCN1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000065552835 276789776 /nfs/dbraw/zinc/78/97/76/276789776.db2.gz NNKBSANKOQZHET-UHFFFAOYSA-N 1 0 337.380 1.577 50 5 EDBARO [NH3+]C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000237817694 303393761 /nfs/dbraw/zinc/39/37/61/303393761.db2.gz GWZBGKIRFDDKHZ-GFCCVEGCSA-N 1 0 327.406 1.781 50 5 EDBARO Cn1cnc([N+](=O)[O-])c1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000071920543 441197703 /nfs/dbraw/zinc/19/77/03/441197703.db2.gz UCBXPQGCOPFLGH-UHFFFAOYSA-N 1 0 345.403 1.966 50 5 EDBARO COc1ccc2c(c1)CCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000075713855 441550796 /nfs/dbraw/zinc/55/07/96/441550796.db2.gz BPBWVUVLYLQSAF-INIZCTEOSA-N 1 0 346.387 1.609 50 5 EDBARO COC(=O)[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000095982691 441969593 /nfs/dbraw/zinc/96/95/93/441969593.db2.gz SXXOUQRWCIXWNX-ZDUSSCGKSA-N 1 0 344.371 1.990 50 5 EDBARO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3Cc4ccccc4[C@@H]3O)CC2)nc1 ZINC000095987335 441972684 /nfs/dbraw/zinc/97/26/84/441972684.db2.gz NDXXRGGXSNLYLE-AEFFLSMTSA-N 1 0 340.383 1.770 50 5 EDBARO O=[N+]([O-])c1cnc(N2CCC[C@@H](C[N@H+]3CC[C@H](O)C3)C2)c(Cl)c1 ZINC000585132690 448703098 /nfs/dbraw/zinc/70/30/98/448703098.db2.gz MOPXAEVCTRPOKJ-AAEUAGOBSA-N 1 0 340.811 1.926 50 5 EDBARO C[C@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[NH+](C)C ZINC000072280813 216108380 /nfs/dbraw/zinc/10/83/80/216108380.db2.gz ZAJFIHCECCWFJB-LLVKDONJSA-N 1 0 331.376 1.921 50 5 EDBARO Nc1nc(-n2cccn2)cc(N2CCc3ccc([N+](=O)[O-])cc3C2)[nH+]1 ZINC000092921124 274965775 /nfs/dbraw/zinc/96/57/75/274965775.db2.gz PQAPTABHFBNXLZ-UHFFFAOYSA-N 1 0 337.343 1.715 50 5 EDBARO C[C@@H]1C[C@@H](C)C[NH+](CCNc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000032935525 441580103 /nfs/dbraw/zinc/58/01/03/441580103.db2.gz MXQBMUXTACRWKD-CHWSQXEVSA-N 1 0 345.403 1.993 50 5 EDBARO O=[N+]([O-])c1cccnc1NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000046479064 441111029 /nfs/dbraw/zinc/11/10/29/441111029.db2.gz OOUONKATQKXMQK-HNNXBMFYSA-N 1 0 328.372 1.821 50 5 EDBARO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000069601748 441987287 /nfs/dbraw/zinc/98/72/87/441987287.db2.gz ZKSXLNKRJKJDDN-LLVKDONJSA-N 1 0 347.824 1.963 50 5 EDBARO O=C(NC1CCCCC1)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000096445683 442133898 /nfs/dbraw/zinc/13/38/98/442133898.db2.gz RBCHFZGNKQJSFJ-AWEZNQCLSA-N 1 0 349.435 1.952 50 5 EDBARO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000195574148 443034517 /nfs/dbraw/zinc/03/45/17/443034517.db2.gz PYXHYKVYZQCVGS-ZDUSSCGKSA-N 1 0 341.433 1.889 50 5 EDBARO CS[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270593645 443476702 /nfs/dbraw/zinc/47/67/02/443476702.db2.gz ULOSAWBOXWXJNE-NWDGAFQWSA-N 1 0 345.446 1.261 50 5 EDBARO O=[N+]([O-])c1cnc(N2CCC[C@H](C[N@H+]3CC[C@H](O)C3)C2)c(Cl)c1 ZINC000585132693 448704905 /nfs/dbraw/zinc/70/49/05/448704905.db2.gz MOPXAEVCTRPOKJ-YPMHNXCESA-N 1 0 340.811 1.926 50 5 EDBARO CCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(=O)NC ZINC000071911887 441194677 /nfs/dbraw/zinc/19/46/77/441194677.db2.gz CTPSNHBIEQLDKN-UHFFFAOYSA-N 1 0 336.392 1.690 50 5 EDBARO C[C@@H]1C[C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000097115524 442171745 /nfs/dbraw/zinc/17/17/45/442171745.db2.gz ABVCDVLXEXEMOA-YPMHNXCESA-N 1 0 339.417 1.639 50 5 EDBARO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000170684848 442248519 /nfs/dbraw/zinc/24/85/19/442248519.db2.gz MXZFDMDWNQPYMA-ZANVPECISA-N 1 0 331.369 1.530 50 5 EDBARO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000229941208 242218157 /nfs/dbraw/zinc/21/81/57/242218157.db2.gz QQJLDKHPSKQTTN-CZUORRHYSA-N 1 0 334.351 1.781 50 5 EDBARO COC(=O)c1cc([N+](=O)[O-])cn(C[C@@H]2CCCC[N@@H+]2C(C)C)c1=O ZINC000408525217 250303390 /nfs/dbraw/zinc/30/33/90/250303390.db2.gz PPPKSTOUZVDFFO-LBPRGKRZSA-N 1 0 337.376 1.806 50 5 EDBARO CC1CCN(c2nc(NCCC[NH+](C)C)nc(N)c2[N+](=O)[O-])CC1 ZINC000005149879 135670032 /nfs/dbraw/zinc/67/00/32/135670032.db2.gz SIXAAKXXKVHPRC-UHFFFAOYSA-N 1 0 337.428 1.567 50 5 EDBARO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000058378324 295149721 /nfs/dbraw/zinc/14/97/21/295149721.db2.gz JPOBNUAIKQCXSV-LBPRGKRZSA-N 1 0 349.391 1.304 50 5 EDBARO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000106517159 441347847 /nfs/dbraw/zinc/34/78/47/441347847.db2.gz FLTXGHWDSNLAHH-MHKRFPNSSA-N 1 0 331.372 1.587 50 5 EDBARO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000096454796 442136812 /nfs/dbraw/zinc/13/68/12/442136812.db2.gz PHBMHDZUMKOTBJ-CQSZACIVSA-N 1 0 333.388 1.698 50 5 EDBARO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](C(C)C)[NH+](C)C ZINC000040105626 213264930 /nfs/dbraw/zinc/26/49/30/213264930.db2.gz NSBOCPKGKDPDRA-CYBMUJFWSA-N 1 0 329.422 1.768 50 5 EDBARO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[NH+](CC)CC ZINC000072289247 216122854 /nfs/dbraw/zinc/12/28/54/216122854.db2.gz GFIYCODHKWFOAV-GFCCVEGCSA-N 1 0 340.428 1.285 50 5 EDBARO CS[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270674063 140145717 /nfs/dbraw/zinc/14/57/17/140145717.db2.gz SDDHUOZBBZBYDN-UONOGXRCSA-N 1 0 338.433 1.171 50 5 EDBARO C[C@@H]1CCCN(c2nc(NCCC[NH+](C)C)nc(N)c2[N+](=O)[O-])C1 ZINC000005249662 440943621 /nfs/dbraw/zinc/94/36/21/440943621.db2.gz WCCJNWPRIWBWKF-LLVKDONJSA-N 1 0 337.428 1.567 50 5 EDBARO Cc1nn(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(C)c1[N+](=O)[O-] ZINC000058181312 441157163 /nfs/dbraw/zinc/15/71/63/441157163.db2.gz FJRHKJIFLGMKLH-INIZCTEOSA-N 1 0 330.388 1.827 50 5 EDBARO O=[N+]([O-])c1cccc(OCCN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000065621661 441472104 /nfs/dbraw/zinc/47/21/04/441472104.db2.gz XVDFPAJPUHFMSY-IRXDYDNUSA-N 1 0 335.404 1.505 50 5 EDBARO COc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000074938206 441481550 /nfs/dbraw/zinc/48/15/50/441481550.db2.gz HNYSXOZEEKWPNM-UHFFFAOYSA-N 1 0 334.420 1.820 50 5 EDBARO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC=C(c3ccccc3)CC2)c1 ZINC000096435689 442129089 /nfs/dbraw/zinc/12/90/89/442129089.db2.gz CKOOZCLBEMIUAW-QGZVFWFLSA-N 1 0 328.372 1.942 50 5 EDBARO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC=C(c3ccccc3)CC2)c1 ZINC000096435688 442129309 /nfs/dbraw/zinc/12/93/09/442129309.db2.gz CKOOZCLBEMIUAW-KRWDZBQOSA-N 1 0 328.372 1.942 50 5 EDBARO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C(N)=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000252485811 443029443 /nfs/dbraw/zinc/02/94/43/443029443.db2.gz AJZHESPFPSKFCE-ZLKJLUDKSA-N 1 0 334.376 1.556 50 5 EDBARO CC(C)(CO)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000239672676 443200430 /nfs/dbraw/zinc/20/04/30/443200430.db2.gz BURGHTVEUSMEFD-CVEARBPZSA-N 1 0 348.403 1.502 50 5 EDBARO CS[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270593640 443476483 /nfs/dbraw/zinc/47/64/83/443476483.db2.gz ULOSAWBOXWXJNE-NEPJUHHUSA-N 1 0 345.446 1.261 50 5 EDBARO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000281868621 444027583 /nfs/dbraw/zinc/02/75/83/444027583.db2.gz WCGMBYYISCGDOU-UHFFFAOYSA-N 1 0 334.420 1.659 50 5 EDBARO COc1ccc(C(=O)NCCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000053449614 214183735 /nfs/dbraw/zinc/18/37/35/214183735.db2.gz WAEZBNHATWTFRV-UHFFFAOYSA-N 1 0 337.376 1.446 50 5 EDBARO CNS(=O)(=O)c1ccc(N[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000048303492 441289548 /nfs/dbraw/zinc/28/95/48/441289548.db2.gz WABGPQYUZIWGGQ-JTQLQIEISA-N 1 0 328.394 1.009 50 5 EDBARO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@H]2CC[N@H+](C)C2)c1C ZINC000089626598 441565369 /nfs/dbraw/zinc/56/53/69/441565369.db2.gz ZPVKJBQJCJWPRV-ZDUSSCGKSA-N 1 0 341.433 1.784 50 5 EDBARO C[NH+](C)C(C)(C)CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CCC[C@H]1O ZINC000170613463 442236292 /nfs/dbraw/zinc/23/62/92/442236292.db2.gz WFWWHVAXKYDTIF-UONOGXRCSA-N 1 0 338.408 1.619 50 5 EDBARO Cc1n[nH]c(C2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000095432621 218374792 /nfs/dbraw/zinc/37/47/92/218374792.db2.gz WHVDEEJYVJJBCC-HNNXBMFYSA-N 1 0 331.376 1.934 50 5 EDBARO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000095446284 218390334 /nfs/dbraw/zinc/39/03/34/218390334.db2.gz RZRRWLSCYUVFGX-KGLIPLIRSA-N 1 0 345.355 1.553 50 5 EDBARO CN1CCC([N@@H+]2CC[C@H](NC(=O)Nc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000070015053 441104241 /nfs/dbraw/zinc/10/42/41/441104241.db2.gz VEQQCPJPNXVNJJ-AWEZNQCLSA-N 1 0 347.419 1.885 50 5 EDBARO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000105800376 441273744 /nfs/dbraw/zinc/27/37/44/441273744.db2.gz ADWWHVUBWLMPQL-UHFFFAOYSA-N 1 0 343.387 1.976 50 5 EDBARO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000178750448 442474694 /nfs/dbraw/zinc/47/46/94/442474694.db2.gz FVAVZQTZWHXICM-OAHLLOKOSA-N 1 0 343.387 1.863 50 5 EDBARO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000323706962 318943153 /nfs/dbraw/zinc/94/31/53/318943153.db2.gz HLGRWEWLROAMGH-UHFFFAOYSA-N 1 0 339.417 1.749 50 5 EDBARO CC[NH+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000000119870 440800697 /nfs/dbraw/zinc/80/06/97/440800697.db2.gz LTOKIWVEJXTXCR-UHFFFAOYSA-N 1 0 336.392 1.570 50 5 EDBARO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000408516534 447670122 /nfs/dbraw/zinc/67/01/22/447670122.db2.gz CZTYHDWDMZTAGF-UHFFFAOYSA-N 1 0 346.391 1.167 50 5 EDBARO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000069849360 285165087 /nfs/dbraw/zinc/16/50/87/285165087.db2.gz XSLBCVFQSSSQGP-GFCCVEGCSA-N 1 0 339.417 1.890 50 5 EDBARO O=[N+]([O-])c1ccccc1S(=O)(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000378255160 158122364 /nfs/dbraw/zinc/12/23/64/158122364.db2.gz WNPQDNDTKCJUOO-UHFFFAOYSA-N 1 0 325.390 1.500 50 5 EDBARO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000071896519 441187798 /nfs/dbraw/zinc/18/77/98/441187798.db2.gz URQLDTMIOIIXAN-UHFFFAOYSA-N 1 0 334.420 1.613 50 5 EDBARO C[NH+](C)CCN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000058227176 441162612 /nfs/dbraw/zinc/16/26/12/441162612.db2.gz VYTXXNLVQAOUKH-UHFFFAOYSA-N 1 0 345.403 1.396 50 5 EDBARO C[NH+](C)CCCNC(=O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 ZINC000005912517 210558554 /nfs/dbraw/zinc/55/85/54/210558554.db2.gz PMAFNRWDLOOMBQ-UHFFFAOYSA-N 1 0 330.728 1.838 50 5 EDBARO Cn1c2ccccc2c(NCCC[NH+](C)C)c2c(=O)n(C)c(=O)nc1-2 ZINC000001589248 440848683 /nfs/dbraw/zinc/84/86/83/440848683.db2.gz LNRUPMPQQGPSQT-UHFFFAOYSA-N 1 0 341.415 1.101 50 5 in-vitro EDBARO Cc1cccc(Nc2nc(NCC[NH+](C)C)nc(N)c2[N+](=O)[O-])c1 ZINC000016757492 441231967 /nfs/dbraw/zinc/23/19/67/441231967.db2.gz LUHRXEHVMYUATG-UHFFFAOYSA-N 1 0 331.380 1.993 50 5 EDBARO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000066643225 441556741 /nfs/dbraw/zinc/55/67/41/441556741.db2.gz QOGALHOBAZRSBJ-GFCCVEGCSA-N 1 0 347.371 1.676 50 5 EDBARO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000017071053 441236029 /nfs/dbraw/zinc/23/60/29/441236029.db2.gz HRIZPXKGDJRAJT-GFCCVEGCSA-N 1 0 338.795 1.967 50 5 EDBARO CNS(=O)(=O)c1ccc(N[C@@H]2CCC[C@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC000075146980 441503430 /nfs/dbraw/zinc/50/34/30/441503430.db2.gz ZCOVCHQHEVJHFM-DGCLKSJQSA-N 1 0 342.421 1.398 50 5 EDBARO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000089783368 441578818 /nfs/dbraw/zinc/57/88/18/441578818.db2.gz QQJLDKHPSKQTTN-BBRMVZONSA-N 1 0 334.351 1.781 50 5 EDBARO O=C(C[N@H+]1CCC[C@@H]1CCCO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000096424249 442124228 /nfs/dbraw/zinc/12/42/28/442124228.db2.gz KWNALGCZDDPGRQ-CQSZACIVSA-N 1 0 333.388 1.721 50 5 EDBARO Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000040160735 202185418 /nfs/dbraw/zinc/18/54/18/202185418.db2.gz PRYUOTGIFWIAMH-DLBZAZTESA-N 1 0 346.383 1.966 50 5 EDBARO C[C@@H](C1CC[NH+](C)CC1)N(C)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000095467601 203748123 /nfs/dbraw/zinc/74/81/23/203748123.db2.gz YZGKYQZMYBPFFI-LBPRGKRZSA-N 1 0 345.403 1.769 50 5 EDBARO CNS(=O)(=O)c1ccc(NC[C@@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000065609556 441469225 /nfs/dbraw/zinc/46/92/25/441469225.db2.gz PFNGHQRJGBCXCL-AWEZNQCLSA-N 1 0 342.421 1.255 50 5 EDBARO O=[N+]([O-])c1cccc(OCCN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000065621665 441471911 /nfs/dbraw/zinc/47/19/11/441471911.db2.gz XVDFPAJPUHFMSY-DLBZAZTESA-N 1 0 335.404 1.505 50 5 EDBARO CC[C@H](O)C[NH+]1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000095443120 441928823 /nfs/dbraw/zinc/92/88/23/441928823.db2.gz OHYGQDLNXJAAQP-HNNXBMFYSA-N 1 0 336.392 1.952 50 5 EDBARO COc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@]2(C)CO)c([N+](=O)[O-])c1 ZINC000097105344 442169820 /nfs/dbraw/zinc/16/98/20/442169820.db2.gz UASHBIQEFIUGPA-GDBMZVCRSA-N 1 0 337.376 1.683 50 5 EDBARO CC(C)(CO)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000239672677 535171382 /nfs/dbraw/zinc/17/13/82/535171382.db2.gz BURGHTVEUSMEFD-HOTGVXAUSA-N 1 0 348.403 1.502 50 5 EDBARO CNS(=O)(=O)c1ccc(N2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000057838762 441137723 /nfs/dbraw/zinc/13/77/23/441137723.db2.gz XQCDIBIWKZGHGN-NSHDSACASA-N 1 0 342.421 1.033 50 5 EDBARO [NH3+][C@H]1CCC[C@]12CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000170611015 442236452 /nfs/dbraw/zinc/23/64/52/442236452.db2.gz YOJOUWAEYLTUAH-UONOGXRCSA-N 1 0 325.390 1.487 50 5 EDBARO Cc1nccn1C[C@H]1CCCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000225597288 443114378 /nfs/dbraw/zinc/11/43/78/443114378.db2.gz HQESYUIWBTULNV-GFCCVEGCSA-N 1 0 327.348 1.811 50 5 EDBARO O=C(CN1CC[N@@H+]2CCC[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000239309548 443199169 /nfs/dbraw/zinc/19/91/69/443199169.db2.gz HRIZPXKGDJRAJT-LBPRGKRZSA-N 1 0 338.795 1.967 50 5 EDBARO C[NH+](C)[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000195576808 241023341 /nfs/dbraw/zinc/02/33/41/241023341.db2.gz UDLQZUOBRLTJKE-GHMZBOCLSA-N 1 0 327.406 1.893 50 5 EDBARO O=C(C[N@H+]1CCC[C@H]1CCCO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000096424250 442124399 /nfs/dbraw/zinc/12/43/99/442124399.db2.gz KWNALGCZDDPGRQ-AWEZNQCLSA-N 1 0 333.388 1.721 50 5 EDBARO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000170684842 442248453 /nfs/dbraw/zinc/24/84/53/442248453.db2.gz MXZFDMDWNQPYMA-RNCFNFMXSA-N 1 0 331.369 1.530 50 5 EDBARO CN(C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000069619223 203027302 /nfs/dbraw/zinc/02/73/02/203027302.db2.gz MFJSYGLXALXBPL-CYBMUJFWSA-N 1 0 342.827 1.293 50 5 EDBARO CS[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270674068 140145747 /nfs/dbraw/zinc/14/57/47/140145747.db2.gz SDDHUOZBBZBYDN-ZIAGYGMSSA-N 1 0 338.433 1.171 50 5 EDBARO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c1C ZINC000195544574 292291873 /nfs/dbraw/zinc/29/18/73/292291873.db2.gz KHVNLTHVDRRRBT-VXGBXAGGSA-N 1 0 327.406 1.617 50 5 EDBARO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000058429146 441194765 /nfs/dbraw/zinc/19/47/65/441194765.db2.gz FQGCSLWPTRXUIX-NSHDSACASA-N 1 0 337.376 1.826 50 5 EDBARO Cc1c(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000048363316 441299419 /nfs/dbraw/zinc/29/94/19/441299419.db2.gz QOGIFKSHCAJLNL-CYBMUJFWSA-N 1 0 341.433 1.664 50 5 EDBARO Cc1cc(N2CCC([NH3+])(CO)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000089600671 441563383 /nfs/dbraw/zinc/56/33/83/441563383.db2.gz XDKNHOOKWKVZTQ-UHFFFAOYSA-N 1 0 343.387 1.650 50 5 EDBARO COc1cc(NC[C@H](C)N2CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000095982715 441969387 /nfs/dbraw/zinc/96/93/87/441969387.db2.gz BTVHOMNVSUAHMJ-NSHDSACASA-N 1 0 326.372 1.790 50 5 EDBARO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000170606496 442235896 /nfs/dbraw/zinc/23/58/96/442235896.db2.gz NVOSLKJQXNMCBK-JQWIXIFHSA-N 1 0 328.394 1.137 50 5 EDBARO [NH3+][C@@H]1CCC[C@@]12CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000225357681 443100249 /nfs/dbraw/zinc/10/02/49/443100249.db2.gz YOJOUWAEYLTUAH-KGLIPLIRSA-N 1 0 325.390 1.487 50 5 EDBARO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000567734824 321256108 /nfs/dbraw/zinc/25/61/08/321256108.db2.gz YXZWMPWJRCPTSH-CQSZACIVSA-N 1 0 325.390 1.359 50 5 EDBARO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000104377020 204107896 /nfs/dbraw/zinc/10/78/96/204107896.db2.gz RPLZNRITFYTUTJ-LBPRGKRZSA-N 1 0 341.433 1.965 50 5 EDBARO CC[NH+]1CCC(N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000045805632 441040535 /nfs/dbraw/zinc/04/05/35/441040535.db2.gz ILICSEZECRQEBC-UHFFFAOYSA-N 1 0 341.433 1.841 50 5 EDBARO CC(C)[NH+](CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)C(C)C ZINC000015131526 441196109 /nfs/dbraw/zinc/19/61/09/441196109.db2.gz NWWJCNABJCQPJQ-UHFFFAOYSA-N 1 0 344.437 1.773 50 5 EDBARO CC(C)[NH2+]CCN1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000071922364 441198246 /nfs/dbraw/zinc/19/82/46/441198246.db2.gz RKXKMLBCXBHMJB-UHFFFAOYSA-N 1 0 337.380 1.623 50 5 EDBARO C[N@H+](CCCO)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000089346041 441540254 /nfs/dbraw/zinc/54/02/54/441540254.db2.gz JISFUBALRZTSPT-UHFFFAOYSA-N 1 0 337.420 1.752 50 5 EDBARO O=C([C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000066892408 441579277 /nfs/dbraw/zinc/57/92/77/441579277.db2.gz OSVNLAZIPSHMKP-QGZVFWFLSA-N 1 0 347.415 1.851 50 5 EDBARO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000096009813 441980337 /nfs/dbraw/zinc/98/03/37/441980337.db2.gz VRUARNYJDULMHC-HUUCEWRRSA-N 1 0 335.404 1.505 50 5 EDBARO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@H]3CCOC3)CC2)nc1NC1CC1 ZINC000084334927 486257967 /nfs/dbraw/zinc/25/79/67/486257967.db2.gz LGILSQLNFJDLPG-ZDUSSCGKSA-N 1 0 348.407 1.624 50 5 EDBARO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H](C[NH+]4CCOCC4)C3)c21 ZINC000095468702 285158695 /nfs/dbraw/zinc/15/86/95/285158695.db2.gz FMKGVELTCIBSMF-CYBMUJFWSA-N 1 0 343.387 1.697 50 5 EDBARO C[NH+](C)CCN(Cc1cccnc1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000079050200 442012787 /nfs/dbraw/zinc/01/27/87/442012787.db2.gz JJDNANILSHWZSK-UHFFFAOYSA-N 1 0 343.387 1.776 50 5 EDBARO C[NH+](C)C(C)(C)CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CCC[C@@H]1O ZINC000170613458 442236558 /nfs/dbraw/zinc/23/65/58/442236558.db2.gz WFWWHVAXKYDTIF-KGLIPLIRSA-N 1 0 338.408 1.619 50 5 EDBARO CCc1n[nH]c(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000171804321 442382484 /nfs/dbraw/zinc/38/24/84/442382484.db2.gz MDCNOGQQMWETDP-SDDRHHMPSA-N 1 0 337.424 1.977 50 5 EDBARO Nc1nc(N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC000370737784 446409977 /nfs/dbraw/zinc/40/99/77/446409977.db2.gz MDCMUXOZYYMXGX-IMRBUKKESA-N 1 0 326.360 1.509 50 5 EDBARO COc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])cc1F ZINC000096466672 277825782 /nfs/dbraw/zinc/82/57/82/277825782.db2.gz PQBUCMSQYLPJLI-LBPRGKRZSA-N 1 0 339.367 1.901 50 5 EDBARO CC[N+](CC)(CCO)CCCN1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O ZINC000000107352 440798974 /nfs/dbraw/zinc/79/89/74/440798974.db2.gz VJXSHVFXVIIDDD-HUUCEWRRSA-N 1 0 343.875 1.743 50 5 EDBARO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000065494954 441445119 /nfs/dbraw/zinc/44/51/19/441445119.db2.gz LYQWGVRMKCYLEQ-SWLSCSKDSA-N 1 0 348.403 1.266 50 5 EDBARO Cc1cc(S(=O)(=O)NC[C@@H]([NH3+])c2ccccc2)ccc1[N+](=O)[O-] ZINC000095972622 441964326 /nfs/dbraw/zinc/96/43/26/441964326.db2.gz HZEHFXRNGRUZKO-CQSZACIVSA-N 1 0 335.385 1.882 50 5 EDBARO CC[NH+](CC)CC(=O)N1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000096492803 442143988 /nfs/dbraw/zinc/14/39/88/442143988.db2.gz YDESDLNYBWPWDF-UHFFFAOYSA-N 1 0 326.422 1.647 50 5 EDBARO C[NH+](C)C1CCC2(CC1)CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000582116514 325777697 /nfs/dbraw/zinc/77/76/97/325777697.db2.gz RYGXMLMMHJUJAO-UHFFFAOYSA-N 1 0 349.435 1.904 50 5 EDBARO CC[NH2+]CC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000237055298 535461218 /nfs/dbraw/zinc/46/12/18/535461218.db2.gz DZDGHGRUZYPXOG-UHFFFAOYSA-N 1 0 327.406 1.605 50 5 EDBARO C[N+]1(C[C@@H](O)COC(=O)C23CC4CC(CC(C4)C2)C3)CCOCC1 ZINC000015636889 717112508 /nfs/dbraw/zinc/11/25/08/717112508.db2.gz NJUXGAZLOMHHSL-YMVOSSCXSA-N 1 0 338.468 1.584 50 5 EDBARO C[N@@H+](Cc1ccc(F)c(F)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000076082272 203335668 /nfs/dbraw/zinc/33/56/68/203335668.db2.gz WSVMBXFBAAKFGM-GFCCVEGCSA-N 1 0 326.303 1.562 50 5 EDBARO Nc1cc(N)[nH+]c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1 ZINC000003440551 440898415 /nfs/dbraw/zinc/89/84/15/440898415.db2.gz XPEJGNBNESFSJD-UHFFFAOYSA-N 1 0 335.345 1.708 50 5 EDBARO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](C2CC2)C2Cc3ccccc3C2)c1 ZINC000075714906 441551442 /nfs/dbraw/zinc/55/14/42/441551442.db2.gz FMQVRGDEEMADMB-SFHVURJKSA-N 1 0 342.399 1.784 50 5 EDBARO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000076089505 441596504 /nfs/dbraw/zinc/59/65/04/441596504.db2.gz WSXZXPLZLUFSQB-GOEBONIOSA-N 1 0 337.424 1.103 50 5 EDBARO CS[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270593654 443476745 /nfs/dbraw/zinc/47/67/45/443476745.db2.gz ULOSAWBOXWXJNE-VXGBXAGGSA-N 1 0 345.446 1.261 50 5 EDBARO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000592387598 448819206 /nfs/dbraw/zinc/81/92/06/448819206.db2.gz WCBOTIIZKWCJGV-AWEZNQCLSA-N 1 0 325.390 1.359 50 5 EDBARO NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000229790098 242200493 /nfs/dbraw/zinc/20/04/93/242200493.db2.gz VMBHBANHSUWHLA-UGFHNGPFSA-N 1 0 346.387 1.652 50 5 EDBARO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCOCC2)C[C@H](C)[NH2+]1 ZINC000004599821 440922936 /nfs/dbraw/zinc/92/29/36/440922936.db2.gz SXEODHPFMLTBQZ-STQMWFEESA-N 1 0 348.403 1.254 50 5 EDBARO CC(C)[NH+]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000025136044 441330696 /nfs/dbraw/zinc/33/06/96/441330696.db2.gz UUYXBHFBLWQSIV-UHFFFAOYSA-N 1 0 348.403 1.267 50 5 EDBARO [NH3+]CCCNc1nc(N2CCOCC2)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000043224369 441825208 /nfs/dbraw/zinc/82/52/08/441825208.db2.gz AKOFLIUZVCFFEU-UHFFFAOYSA-N 1 0 349.313 1.606 50 5 EDBARO COCC[N@@H+]1CC[C@@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000069811708 442045686 /nfs/dbraw/zinc/04/56/86/442045686.db2.gz ZMPLKVGUOJTSOC-NSHDSACASA-N 1 0 341.795 1.946 50 5 EDBARO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000229790081 242202085 /nfs/dbraw/zinc/20/20/85/242202085.db2.gz VMBHBANHSUWHLA-CQDKDKBSSA-N 1 0 346.387 1.652 50 5 EDBARO COCC[NH+]1[C@@H](C)CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H]1C ZINC000096489048 274033909 /nfs/dbraw/zinc/03/39/09/274033909.db2.gz LDSKALOQSTZQDA-RYUDHWBXSA-N 1 0 334.380 1.183 50 5 EDBARO Cc1cc(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)ccc1[N+](=O)[O-] ZINC000095972621 441965217 /nfs/dbraw/zinc/96/52/17/441965217.db2.gz HZEHFXRNGRUZKO-AWEZNQCLSA-N 1 0 335.385 1.882 50 5 EDBARO CN1CC[NH+](CCC(C)(C)NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000189843409 443019355 /nfs/dbraw/zinc/01/93/55/443019355.db2.gz PODQJZLJISUQBO-UHFFFAOYSA-N 1 0 349.435 1.323 50 5 EDBARO CS[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270593649 443476528 /nfs/dbraw/zinc/47/65/28/443476528.db2.gz ULOSAWBOXWXJNE-RYUDHWBXSA-N 1 0 345.446 1.261 50 5 EDBARO C[N+]1(C[C@H](O)COC(=O)C23CC4CC(CC(C4)C2)C3)CCOCC1 ZINC000015636891 717112367 /nfs/dbraw/zinc/11/23/67/717112367.db2.gz NJUXGAZLOMHHSL-WCWCZOKXSA-N 1 0 338.468 1.584 50 5 EDBARO CC[NH+](CC)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000004194880 210143817 /nfs/dbraw/zinc/14/38/17/210143817.db2.gz WKMCZDJKJKOTBA-UHFFFAOYSA-N 1 0 333.344 1.773 50 5 EDBARO O=[N+]([O-])c1ccc(CN2CCC([NH+]3CCN(CCO)CC3)CC2)cc1 ZINC000000316678 440814099 /nfs/dbraw/zinc/81/40/99/440814099.db2.gz MWVHMMRIEBETGI-UHFFFAOYSA-N 1 0 348.447 1.169 50 5 EDBARO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](C2CC2)C2Cc3ccccc3C2)c1 ZINC000075714905 441551631 /nfs/dbraw/zinc/55/16/31/441551631.db2.gz FMQVRGDEEMADMB-GOSISDBHSA-N 1 0 342.399 1.784 50 5 EDBARO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000069601752 441986719 /nfs/dbraw/zinc/98/67/19/441986719.db2.gz ZKSXLNKRJKJDDN-NSHDSACASA-N 1 0 347.824 1.963 50 5 EDBARO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000170684845 442248422 /nfs/dbraw/zinc/24/84/22/442248422.db2.gz MXZFDMDWNQPYMA-TVQRCGJNSA-N 1 0 331.369 1.530 50 5 EDBARO CNC(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000067978718 215265818 /nfs/dbraw/zinc/26/58/18/215265818.db2.gz KLQCDFHDTLECJF-CQSZACIVSA-N 1 0 334.376 1.442 50 5 EDBARO Cn1cnc([N+](=O)[O-])c1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000040511146 213328206 /nfs/dbraw/zinc/32/82/06/213328206.db2.gz VIDHQNYPMHCRKB-CQSZACIVSA-N 1 0 331.376 1.159 50 5 EDBARO CNS(=O)(=O)c1c(NC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000408524455 447676889 /nfs/dbraw/zinc/67/68/89/447676889.db2.gz UQQOPFNRMXLMOT-UHFFFAOYSA-N 1 0 328.394 1.009 50 5 EDBARO C[NH+](C)[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000195576813 241022885 /nfs/dbraw/zinc/02/28/85/241022885.db2.gz UDLQZUOBRLTJKE-QWRGUYRKSA-N 1 0 327.406 1.893 50 5 EDBARO COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000003877914 286227565 /nfs/dbraw/zinc/22/75/65/286227565.db2.gz MRIHNUXPGVKEED-PHIMTYICSA-N 1 0 336.392 1.492 50 5 EDBARO O=c1[nH]cnc2cc(N3CC[NH+](C4CCCC4)CC3)c([N+](=O)[O-])cc21 ZINC000012537591 275042810 /nfs/dbraw/zinc/04/28/10/275042810.db2.gz UDRHRDCFWRNZSO-UHFFFAOYSA-N 1 0 343.387 1.896 50 5 EDBARO CC(C)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCN(C)CC1 ZINC000012918266 441148224 /nfs/dbraw/zinc/14/82/24/441148224.db2.gz ZHQBMFLAKNWHIU-MRXNPFEDSA-N 1 0 349.435 1.988 50 5 EDBARO CC1CCN(C(=O)[C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000078972664 442001553 /nfs/dbraw/zinc/00/15/53/442001553.db2.gz NMJCUIXXBIFLAJ-OAHLLOKOSA-N 1 0 349.435 1.762 50 5 EDBARO C[NH+]1CCN(C[C@@H](Nc2ncc([N+](=O)[O-])cn2)c2ccccc2)CC1 ZINC000097137276 442173955 /nfs/dbraw/zinc/17/39/55/442173955.db2.gz KDGKTECXPPNVPI-MRXNPFEDSA-N 1 0 342.403 1.785 50 5 EDBARO O=c1c([N+](=O)[O-])c(NCCNc2cc[nH+]cc2)nc2ccccn21 ZINC000040555313 213350304 /nfs/dbraw/zinc/35/03/04/213350304.db2.gz SMCPALASZKPVOI-UHFFFAOYSA-N 1 0 326.316 1.522 50 5 EDBARO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(C[NH+]2CCOCC2)CC1 ZINC000040539053 213342065 /nfs/dbraw/zinc/34/20/65/213342065.db2.gz LQPBKDGILAOIIS-UHFFFAOYSA-N 1 0 347.415 1.708 50 5 EDBARO Cc1c(F)cc(S(=O)(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000097163812 218979875 /nfs/dbraw/zinc/97/98/75/218979875.db2.gz LUTJCWTZNYYXCO-WDEREUQCSA-N 1 0 345.396 1.803 50 5 EDBARO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3Cc4ccccc4[C@@H]3O)CC2)nc1 ZINC000095987334 441972338 /nfs/dbraw/zinc/97/23/38/441972338.db2.gz NDXXRGGXSNLYLE-WMZOPIPTSA-N 1 0 340.383 1.770 50 5 EDBARO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000069845283 442054714 /nfs/dbraw/zinc/05/47/14/442054714.db2.gz MEMJLWAOJSDQHT-CQSZACIVSA-N 1 0 337.424 1.789 50 5 EDBARO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000096500064 442145046 /nfs/dbraw/zinc/14/50/46/442145046.db2.gz FYILBJJPFAOGOQ-AWEZNQCLSA-N 1 0 341.433 1.351 50 5 EDBARO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000248433405 442891144 /nfs/dbraw/zinc/89/11/44/442891144.db2.gz XMSKODKLTRZLCD-OCCSQVGLSA-N 1 0 339.417 1.593 50 5 EDBARO [NH3+]C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000237936153 443189660 /nfs/dbraw/zinc/18/96/60/443189660.db2.gz GWZBGKIRFDDKHZ-LBPRGKRZSA-N 1 0 327.406 1.781 50 5 EDBARO