smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CCCN(C)C(=O)C12CCC[NH+]1CCC2)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067385576 837454859 /nfs/dbraw/zinc/45/48/59/837454859.db2.gz HZTDZEHQFQSXAM-ZIAGYGMSSA-N 1 1 352.435 0.587 20 5 FCBDMO CCC[N@@H+](C)CC(=O)NC1(CC)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001069368279 837528492 /nfs/dbraw/zinc/52/84/92/837528492.db2.gz OOLWTRFRNBLRFE-ZIAGYGMSSA-N 1 1 354.451 0.881 20 5 FCBDMO CCC[N@H+](C)CC(=O)NC1(CC)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001069368279 837528500 /nfs/dbraw/zinc/52/85/00/837528500.db2.gz OOLWTRFRNBLRFE-ZIAGYGMSSA-N 1 1 354.451 0.881 20 5 FCBDMO CCC[N@@H+](C)CC(=O)NC1(CC)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001069368279 837528506 /nfs/dbraw/zinc/52/85/06/837528506.db2.gz OOLWTRFRNBLRFE-ZIAGYGMSSA-N 1 1 354.451 0.881 20 5 FCBDMO Cn1cnc([N+](=O)[O-])c1N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000746703994 836196922 /nfs/dbraw/zinc/19/69/22/836196922.db2.gz UIJTUVLAPIROBF-LLVKDONJSA-N 1 1 354.411 0.973 20 5 FCBDMO Cn1cnc([N+](=O)[O-])c1N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000746703994 836196927 /nfs/dbraw/zinc/19/69/27/836196927.db2.gz UIJTUVLAPIROBF-LLVKDONJSA-N 1 1 354.411 0.973 20 5 FCBDMO Cc1oncc1C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001098365643 843911327 /nfs/dbraw/zinc/91/13/27/843911327.db2.gz PAZFMNDFZBGIID-HUUCEWRRSA-N 1 1 352.391 0.434 20 5 FCBDMO Cc1oncc1C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098365643 843911329 /nfs/dbraw/zinc/91/13/29/843911329.db2.gz PAZFMNDFZBGIID-HUUCEWRRSA-N 1 1 352.391 0.434 20 5 FCBDMO Cc1oncc1C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098365643 843911331 /nfs/dbraw/zinc/91/13/31/843911331.db2.gz PAZFMNDFZBGIID-HUUCEWRRSA-N 1 1 352.391 0.434 20 5 FCBDMO Cn1c(-c2ccc([N+](=O)[O-])s2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001121358947 848342509 /nfs/dbraw/zinc/34/25/09/848342509.db2.gz AZRJSAJAPUWXEP-SNVBAGLBSA-N 1 1 350.404 0.973 20 5 FCBDMO Cn1c(-c2ccc([N+](=O)[O-])s2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001121358947 848342517 /nfs/dbraw/zinc/34/25/17/848342517.db2.gz AZRJSAJAPUWXEP-SNVBAGLBSA-N 1 1 350.404 0.973 20 5 FCBDMO CC(C)CC(=O)N1CCC(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001126936403 848713589 /nfs/dbraw/zinc/71/35/89/848713589.db2.gz GAXXKDYFKOYMTK-HUUCEWRRSA-N 1 1 354.451 0.642 20 5 FCBDMO CN(Cc1ccccc1F)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126939212 848714989 /nfs/dbraw/zinc/71/49/89/848714989.db2.gz SBLFPWGXLAJFDU-TZMCWYRMSA-N 1 1 352.366 0.155 20 5 FCBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCc1cccc(Cl)c1 ZINC001126943100 848715044 /nfs/dbraw/zinc/71/50/44/848715044.db2.gz LBJCSSIIKMMDRH-CHWSQXEVSA-N 1 1 354.794 0.327 20 5 FCBDMO CCOCCCN1CCn2ncc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])c2C1 ZINC001128341786 848741141 /nfs/dbraw/zinc/74/11/41/848741141.db2.gz PCHZXSUGMHUVSE-ZIAGYGMSSA-N 1 1 351.407 0.407 20 5 FCBDMO CNC(=O)C[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001133396158 849150207 /nfs/dbraw/zinc/15/02/07/849150207.db2.gz TYRIGYAPWZDLSY-ZIAGYGMSSA-N 1 1 368.821 0.669 20 5 FCBDMO COc1cccc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001157774993 849992819 /nfs/dbraw/zinc/99/28/19/849992819.db2.gz GCVLXNDCLSESNJ-ZIAGYGMSSA-N 1 1 350.375 0.395 20 5 FCBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCCc1ccsc1 ZINC001157775061 849993419 /nfs/dbraw/zinc/99/34/19/849993419.db2.gz JZJXXHOLOICLTJ-CHWSQXEVSA-N 1 1 354.432 0.168 20 5 FCBDMO Cn1cc(-c2nc(C[NH2+]CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])cs2)cn1 ZINC001157775363 849994401 /nfs/dbraw/zinc/99/44/01/849994401.db2.gz PPXIFNYRTAUTJF-CHWSQXEVSA-N 1 1 364.431 0.805 20 5 FCBDMO COC(=O)CC[C@H](Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)C(N)=O ZINC001161759082 850281845 /nfs/dbraw/zinc/28/18/45/850281845.db2.gz GWOJDFYFRLGLTN-MLRMMBSGSA-N 1 1 351.363 0.741 20 5 FCBDMO [NH3+][C@@H]1NCN(c2ccc3ccc4ccc(Cl)nc4c3n2)[C@H]2NCN[C@H]21 ZINC001162440750 850316938 /nfs/dbraw/zinc/31/69/38/850316938.db2.gz UWMBGUOPRQQTBV-GVDBMIGSSA-N 1 1 355.833 0.933 20 5 FCBDMO CC(C)(C)OC(=O)[C@H]([NH3+])C1CN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001163119115 850356582 /nfs/dbraw/zinc/35/65/82/850356582.db2.gz LSLPPVMVHGQDGJ-SNVBAGLBSA-N 1 1 358.782 0.987 20 5 FCBDMO NC(=O)[C@H]1CN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)CC[NH2+]1 ZINC001166725342 850498919 /nfs/dbraw/zinc/49/89/19/850498919.db2.gz GRMUVLOXBCAPPS-GFCCVEGCSA-N 1 1 362.777 0.969 20 5 FCBDMO O=C([C@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)O1)N1CCOCC1 ZINC001169023567 850603350 /nfs/dbraw/zinc/60/33/50/850603350.db2.gz PAODYYSISRYKGH-YIDVYQOGSA-N 1 1 353.419 0.522 20 5 FCBDMO CCNC(=O)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001177313641 850837433 /nfs/dbraw/zinc/83/74/33/850837433.db2.gz HESPFNQVQYSIKL-HUUCEWRRSA-N 1 1 354.451 0.786 20 5 FCBDMO O=C(C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1nncs1 ZINC001178458771 850900480 /nfs/dbraw/zinc/90/04/80/850900480.db2.gz XNXXUZHKDUTCNV-GHMZBOCLSA-N 1 1 370.435 0.408 20 5 FCBDMO CCS(=O)(=O)CCC[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178463904 850900870 /nfs/dbraw/zinc/90/08/70/850900870.db2.gz MNLBZENZTLWHGE-ZIAGYGMSSA-N 1 1 363.480 0.743 20 5 FCBDMO Cc1nnc(NC(=O)C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC001200471740 853499259 /nfs/dbraw/zinc/49/92/59/853499259.db2.gz IUXIZGJQCPWDBU-GHMZBOCLSA-N 1 1 368.419 0.031 20 5 FCBDMO CCS(=O)(=O)CCC[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205229916 853600856 /nfs/dbraw/zinc/60/08/56/853600856.db2.gz ITZQZAYETUJDMR-ZIAGYGMSSA-N 1 1 361.464 0.305 20 5 FCBDMO C[C@@H]1C[N@@H+](CCCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCCO1 ZINC001321146535 868380930 /nfs/dbraw/zinc/38/09/30/868380930.db2.gz MFGWZIMZBPKKAO-CYBMUJFWSA-N 1 1 352.391 0.374 20 5 FCBDMO Cc1c(NC(=O)CC[N@@H+](C)CCNS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC001322785009 868944650 /nfs/dbraw/zinc/94/46/50/868944650.db2.gz XMHJHACCLUKUOA-UHFFFAOYSA-N 1 1 358.420 0.713 20 5 FCBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)c1 ZINC000823651691 946461986 /nfs/dbraw/zinc/46/19/86/946461986.db2.gz NPDYOCHVMXKTIX-UHFFFAOYSA-N 1 1 370.377 0.189 20 5 FCBDMO COc1ccc(C[N@@H+](CCN2CC[NH+](C)CC2)CC(=O)[O-])cc1[N+](=O)[O-] ZINC001599558364 998136911 /nfs/dbraw/zinc/13/69/11/998136911.db2.gz GRFOEMKGZORUCL-UHFFFAOYSA-N 1 1 366.418 0.737 20 5 FCBDMO CNS(=O)(=O)c1ccc(N[C@@H]2CCC[N@@H+](CCCO)C2)c([N+](=O)[O-])c1 ZINC000294862937 214267678 /nfs/dbraw/zinc/26/76/78/214267678.db2.gz CIFCVPSBSGIUGS-GFCCVEGCSA-N 1 1 372.447 0.762 20 5 FCBDMO Cc1nn(CCC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c(C)c1[N+](=O)[O-] ZINC000295387709 214294971 /nfs/dbraw/zinc/29/49/71/214294971.db2.gz HJBASCDLWDNFTP-CQSZACIVSA-N 1 1 353.423 0.761 20 5 FCBDMO C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000265700888 210202175 /nfs/dbraw/zinc/20/21/75/210202175.db2.gz KCYPVCFEZRZNQK-GFCCVEGCSA-N 1 1 350.375 0.618 20 5 FCBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290958290 214005726 /nfs/dbraw/zinc/00/57/26/214005726.db2.gz OBZKAQDHLZICHS-UHFFFAOYSA-N 1 1 351.407 0.883 20 5 FCBDMO C[C@@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000265658918 210189227 /nfs/dbraw/zinc/18/92/27/210189227.db2.gz AJEXNLFPBKCVNO-ZDUSSCGKSA-N 1 1 364.402 0.409 20 5 FCBDMO CN(C)c1[nH+]cc(CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)n1C ZINC000265147106 210063738 /nfs/dbraw/zinc/06/37/38/210063738.db2.gz XQYPOWAHPQIGOQ-UHFFFAOYSA-N 1 1 374.401 0.831 20 5 FCBDMO COc1cc(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000264539550 209906150 /nfs/dbraw/zinc/90/61/50/209906150.db2.gz AZPRHLRXXALPDH-UHFFFAOYSA-N 1 1 364.402 0.886 20 5 FCBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285760908 213391172 /nfs/dbraw/zinc/39/11/72/213391172.db2.gz LZGIYYOMNCURNF-CABCVRRESA-N 1 1 362.386 0.256 20 5 FCBDMO CCOC(=O)c1cc(S(=O)(=O)N2CC[NH2+]CC2)cc([N+](=O)[O-])c1C ZINC000262743536 209650095 /nfs/dbraw/zinc/65/00/95/209650095.db2.gz KEHYMUVGHWTYAH-UHFFFAOYSA-N 1 1 357.388 0.674 20 5 FCBDMO CC[N@H+](CCO)CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000283760219 213004668 /nfs/dbraw/zinc/00/46/68/213004668.db2.gz JZMLZQCDRSOGRO-UHFFFAOYSA-N 1 1 359.404 0.042 20 5 FCBDMO CC[N@@H+](CCO)CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000283760219 213004671 /nfs/dbraw/zinc/00/46/71/213004671.db2.gz JZMLZQCDRSOGRO-UHFFFAOYSA-N 1 1 359.404 0.042 20 5 FCBDMO CCCc1[nH]nc(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1[N+](=O)[O-] ZINC000236883966 209344846 /nfs/dbraw/zinc/34/48/46/209344846.db2.gz HETFXFKGHDMDDX-SNVBAGLBSA-N 1 1 352.395 0.198 20 5 FCBDMO C[C@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@H+]1CC(C)(C)O ZINC000189430746 209252599 /nfs/dbraw/zinc/25/25/99/209252599.db2.gz WHYFTCFSOGHYHH-LBPRGKRZSA-N 1 1 354.411 0.278 20 5 FCBDMO COc1cc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cc([N+](=O)[O-])c1C ZINC000277259521 212345753 /nfs/dbraw/zinc/34/57/53/212345753.db2.gz MZGXDVKHDZEKBT-CYBMUJFWSA-N 1 1 364.402 0.981 20 5 FCBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1(CO)CCOCC1 ZINC000276713943 212279881 /nfs/dbraw/zinc/27/98/81/212279881.db2.gz AMVBLNSGPYIFKL-UHFFFAOYSA-N 1 1 367.358 0.735 20 5 FCBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000187394869 209212817 /nfs/dbraw/zinc/21/28/17/209212817.db2.gz HRRVNDNZKRUNFN-CYBMUJFWSA-N 1 1 363.418 0.676 20 5 FCBDMO COc1cc(OCC(=O)NCC[N@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000275831263 212099349 /nfs/dbraw/zinc/09/93/49/212099349.db2.gz KTULHBUIJOFDNG-UHFFFAOYSA-N 1 1 353.375 0.821 20 5 FCBDMO Cc1c(NC(=O)C(=O)NCC[N@@H+]2CCCOCC2)cccc1[N+](=O)[O-] ZINC000275778232 212089259 /nfs/dbraw/zinc/08/92/59/212089259.db2.gz SHRDXYPSQPKIRM-UHFFFAOYSA-N 1 1 350.375 0.680 20 5 FCBDMO Cc1c(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)cccc1[N+](=O)[O-] ZINC000275778232 212089262 /nfs/dbraw/zinc/08/92/62/212089262.db2.gz SHRDXYPSQPKIRM-UHFFFAOYSA-N 1 1 350.375 0.680 20 5 FCBDMO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC1(O)CCOCC1 ZINC000275659129 212068012 /nfs/dbraw/zinc/06/80/12/212068012.db2.gz XWPHXXHZYCGHFS-UHFFFAOYSA-N 1 1 367.358 0.735 20 5 FCBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC1(O)CCOCC1 ZINC000275659129 212068016 /nfs/dbraw/zinc/06/80/16/212068016.db2.gz XWPHXXHZYCGHFS-UHFFFAOYSA-N 1 1 367.358 0.735 20 5 FCBDMO COCC[N@H+](C)CCNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000275647794 212066823 /nfs/dbraw/zinc/06/68/23/212066823.db2.gz LCBQBAPFGLCUAI-UHFFFAOYSA-N 1 1 365.383 0.599 20 5 FCBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000275647794 212066826 /nfs/dbraw/zinc/06/68/26/212066826.db2.gz LCBQBAPFGLCUAI-UHFFFAOYSA-N 1 1 365.383 0.599 20 5 FCBDMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000275509219 212041281 /nfs/dbraw/zinc/04/12/81/212041281.db2.gz ZGRSLKYABAOICI-CHWSQXEVSA-N 1 1 364.402 0.238 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[NH+](C[C@H](C)O)CC1 ZINC000275046250 211953076 /nfs/dbraw/zinc/95/30/76/211953076.db2.gz IYQGFCGUCSGJAZ-STQMWFEESA-N 1 1 366.418 0.929 20 5 FCBDMO Cn1cc[nH+]c1[C@H]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000374698263 217158818 /nfs/dbraw/zinc/15/88/18/217158818.db2.gz QESIYMPBICLGKX-JTQLQIEISA-N 1 1 351.388 0.970 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000183425902 209145595 /nfs/dbraw/zinc/14/55/95/209145595.db2.gz JGQCBDPOGUMFHT-MRXNPFEDSA-N 1 1 373.413 0.983 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000375963692 217339039 /nfs/dbraw/zinc/33/90/39/217339039.db2.gz RWXFQWNEHZXZLP-JKSUJKDBSA-N 1 1 350.350 0.885 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445186123 248375289 /nfs/dbraw/zinc/37/52/89/248375289.db2.gz RHPWPWGUESIDJU-JTQLQIEISA-N 1 1 351.363 0.013 20 5 FCBDMO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC000453805991 249370471 /nfs/dbraw/zinc/37/04/71/249370471.db2.gz MTDPTZPSWSNBAJ-CQSZACIVSA-N 1 1 364.402 0.805 20 5 FCBDMO O=C(C[NH+]1CCC2(CC1)NC(=O)NC2=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000270493114 211210430 /nfs/dbraw/zinc/21/04/30/211210430.db2.gz GPAVQXDZLBNTFT-UHFFFAOYSA-N 1 1 373.369 0.158 20 5 FCBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000472117951 250133551 /nfs/dbraw/zinc/13/35/51/250133551.db2.gz OJHHZSFJBZVODU-CYBMUJFWSA-N 1 1 352.439 0.669 20 5 FCBDMO COC(=O)[C@H]1CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000411908484 533008901 /nfs/dbraw/zinc/00/89/01/533008901.db2.gz DXBVSSOFXBCQJU-CHWSQXEVSA-N 1 1 364.402 0.958 20 5 FCBDMO COC(=O)[C@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)C1 ZINC000411921800 533009184 /nfs/dbraw/zinc/00/91/84/533009184.db2.gz SLXMFTJERHTCAO-QWHCGFSZSA-N 1 1 364.402 0.958 20 5 FCBDMO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000075649940 208063035 /nfs/dbraw/zinc/06/30/35/208063035.db2.gz LYOOUYDNAWJGBO-AIANPOQGSA-N 1 1 367.450 0.726 20 5 FCBDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075676642 208063106 /nfs/dbraw/zinc/06/31/06/208063106.db2.gz BWZIZFVQJLDBFE-HIFRSBDPSA-N 1 1 353.423 0.781 20 5 FCBDMO O=C1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CN1CCN1CCOCC1 ZINC000178906379 209065080 /nfs/dbraw/zinc/06/50/80/209065080.db2.gz QLBNRCRVITWZKO-ZDUSSCGKSA-N 1 1 354.432 0.679 20 5 FCBDMO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000278273580 488864846 /nfs/dbraw/zinc/86/48/46/488864846.db2.gz JJZOAYBQHVUJSO-DOMZBBRYSA-N 1 1 367.402 0.540 20 5 FCBDMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000278273580 488864847 /nfs/dbraw/zinc/86/48/47/488864847.db2.gz JJZOAYBQHVUJSO-DOMZBBRYSA-N 1 1 367.402 0.540 20 5 FCBDMO NC(=O)[C@@H]1CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC[NH2+]1 ZINC000278365908 488871264 /nfs/dbraw/zinc/87/12/64/488871264.db2.gz DGFHMGXIKSQMHP-LURJTMIESA-N 1 1 369.250 0.907 20 5 FCBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000279243771 488926797 /nfs/dbraw/zinc/92/67/97/488926797.db2.gz GGHJLQLBXWLNGB-UHFFFAOYSA-N 1 1 352.391 0.326 20 5 FCBDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000279243771 488926799 /nfs/dbraw/zinc/92/67/99/488926799.db2.gz GGHJLQLBXWLNGB-UHFFFAOYSA-N 1 1 352.391 0.326 20 5 FCBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000046449128 487982078 /nfs/dbraw/zinc/98/20/78/487982078.db2.gz VSQMRPVSLXWJNX-UHFFFAOYSA-N 1 1 350.375 0.544 20 5 FCBDMO C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[NH+]1CCN(c2ccccc2)CC1 ZINC000053836406 488212203 /nfs/dbraw/zinc/21/22/03/488212203.db2.gz HCCQULZRWYPIRH-CQSZACIVSA-N 1 1 373.417 0.513 20 5 FCBDMO C[N@@H+](CC(=O)Nc1cccc(F)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000072556172 488382119 /nfs/dbraw/zinc/38/21/19/488382119.db2.gz LKNBFZFBPUMTIP-CQSZACIVSA-N 1 1 351.338 0.862 20 5 FCBDMO C[N@H+](CC(=O)Nc1cccc(F)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000072556172 488382120 /nfs/dbraw/zinc/38/21/20/488382120.db2.gz LKNBFZFBPUMTIP-CQSZACIVSA-N 1 1 351.338 0.862 20 5 FCBDMO C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)CN1CC[NH+](C)CC1 ZINC000074137608 488387775 /nfs/dbraw/zinc/38/77/75/488387775.db2.gz KZZUBUVINUGMKH-AWEZNQCLSA-N 1 1 350.419 0.973 20 5 FCBDMO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000182662142 488389478 /nfs/dbraw/zinc/38/94/78/488389478.db2.gz GVSMKHPGOCKEMG-NSHDSACASA-N 1 1 353.404 0.957 20 5 FCBDMO C[NH+](C)CCN1CCC(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000184655623 488397018 /nfs/dbraw/zinc/39/70/18/488397018.db2.gz BQTKYWYUSXIJQX-UHFFFAOYSA-N 1 1 350.423 0.575 20 5 FCBDMO NC(=O)C[N@@H+](CCC1CCCCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075717009 488398135 /nfs/dbraw/zinc/39/81/35/488398135.db2.gz MYJMJGOSDPTTQO-HNNXBMFYSA-N 1 1 353.423 0.910 20 5 FCBDMO O=C(NCC[N@@H+]1CCCOCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000189409958 488414603 /nfs/dbraw/zinc/41/46/03/488414603.db2.gz DNXQKJMMRXMXOC-UHFFFAOYSA-N 1 1 360.374 0.628 20 5 FCBDMO O=C(NCC[N@H+]1CCCOCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000189409958 488414604 /nfs/dbraw/zinc/41/46/04/488414604.db2.gz DNXQKJMMRXMXOC-UHFFFAOYSA-N 1 1 360.374 0.628 20 5 FCBDMO CN(C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1)S(C)(=O)=O ZINC000090553383 488460408 /nfs/dbraw/zinc/46/04/08/488460408.db2.gz KVVLAUIHFZSGGR-UHFFFAOYSA-N 1 1 358.420 0.112 20 5 FCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000245934789 488467509 /nfs/dbraw/zinc/46/75/09/488467509.db2.gz VJNNSYZVHKVLML-GOEBONIOSA-N 1 1 359.386 0.543 20 5 FCBDMO CCc1nn(C)c(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000091671103 488467536 /nfs/dbraw/zinc/46/75/36/488467536.db2.gz CXPQENORYJDRNN-CYBMUJFWSA-N 1 1 350.423 0.809 20 5 FCBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000248464902 488497376 /nfs/dbraw/zinc/49/73/76/488497376.db2.gz RIDGFXQFRPWHSV-HOTGVXAUSA-N 1 1 365.430 0.989 20 5 FCBDMO CNS(=O)(=O)c1ccc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000109544963 488523605 /nfs/dbraw/zinc/52/36/05/488523605.db2.gz NYBAGXOTMAUAQS-NEPJUHHUSA-N 1 1 370.431 0.778 20 5 FCBDMO O=C1C[NH2+]CCN1[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000262019711 488546577 /nfs/dbraw/zinc/54/65/77/488546577.db2.gz IMPLYIHSOUXQDD-ZDUSSCGKSA-N 1 1 368.415 0.180 20 5 FCBDMO C[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000119024518 488555528 /nfs/dbraw/zinc/55/55/28/488555528.db2.gz QZBSTRXQBKITCZ-NHYWBVRUSA-N 1 1 360.374 0.624 20 5 FCBDMO C[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000119024518 488555529 /nfs/dbraw/zinc/55/55/29/488555529.db2.gz QZBSTRXQBKITCZ-NHYWBVRUSA-N 1 1 360.374 0.624 20 5 FCBDMO COCC[N@@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000272046554 488560029 /nfs/dbraw/zinc/56/00/29/488560029.db2.gz SEMZVBHRKBCMIV-UHFFFAOYSA-N 1 1 366.418 0.739 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000562994628 491206531 /nfs/dbraw/zinc/20/65/31/491206531.db2.gz DMTFMTSSBMESEL-IKGGRYGDSA-N 1 1 367.450 0.510 20 5 FCBDMO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1[nH]ncc1[N+](=O)[O-] ZINC000272421781 488579805 /nfs/dbraw/zinc/57/98/05/488579805.db2.gz HMPUOGJVMCRJRI-UONOGXRCSA-N 1 1 359.386 0.931 20 5 FCBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1n[nH]cc1[N+](=O)[O-] ZINC000272421781 488579807 /nfs/dbraw/zinc/57/98/07/488579807.db2.gz HMPUOGJVMCRJRI-UONOGXRCSA-N 1 1 359.386 0.931 20 5 FCBDMO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1n[nH]cc1[N+](=O)[O-] ZINC000272421781 488579809 /nfs/dbraw/zinc/57/98/09/488579809.db2.gz HMPUOGJVMCRJRI-UONOGXRCSA-N 1 1 359.386 0.931 20 5 FCBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000272630907 488593502 /nfs/dbraw/zinc/59/35/02/488593502.db2.gz AJWQHMJHGIOUSL-CYBMUJFWSA-N 1 1 362.390 0.760 20 5 FCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000126834696 488612469 /nfs/dbraw/zinc/61/24/69/488612469.db2.gz QKGVUDFTXCYDPL-WBVHZDCISA-N 1 1 373.413 0.933 20 5 FCBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000263976534 488640544 /nfs/dbraw/zinc/64/05/44/488640544.db2.gz XRUGLAVUYMFJNC-CYBMUJFWSA-N 1 1 365.390 0.368 20 5 FCBDMO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000131605143 488647644 /nfs/dbraw/zinc/64/76/44/488647644.db2.gz VTUWGACBMBBVHP-UHFFFAOYSA-N 1 1 360.374 0.539 20 5 FCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000273452075 488651922 /nfs/dbraw/zinc/65/19/22/488651922.db2.gz OVPPTMFSRUMEND-LLVKDONJSA-N 1 1 362.429 0.535 20 5 FCBDMO C[C@@H](Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)[C@H](C)[NH+]1CCOCC1 ZINC000264185405 488653697 /nfs/dbraw/zinc/65/36/97/488653697.db2.gz BODBUHFGOSUNSZ-MNOVXSKESA-N 1 1 358.420 0.763 20 5 FCBDMO COC(C[N@@H+](CCCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-])OC ZINC000273597319 488661502 /nfs/dbraw/zinc/66/15/02/488661502.db2.gz KMWKLGRHHOQAPD-CYBMUJFWSA-N 1 1 358.391 0.638 20 5 FCBDMO C[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1C[N@H+](C)CCO1 ZINC000134980884 488670732 /nfs/dbraw/zinc/67/07/32/488670732.db2.gz GFTUCONRFHMUDK-ZUZCIYMTSA-N 1 1 360.370 0.885 20 5 FCBDMO C[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1C[N@@H+](C)CCO1 ZINC000134980884 488670734 /nfs/dbraw/zinc/67/07/34/488670734.db2.gz GFTUCONRFHMUDK-ZUZCIYMTSA-N 1 1 360.370 0.885 20 5 FCBDMO NC(=O)NC(=O)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000273913837 488674718 /nfs/dbraw/zinc/67/47/18/488674718.db2.gz AWCNHVBNUSIADM-UHFFFAOYSA-N 1 1 361.362 0.178 20 5 FCBDMO NC(=O)NC(=O)C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000273913837 488674720 /nfs/dbraw/zinc/67/47/20/488674720.db2.gz AWCNHVBNUSIADM-UHFFFAOYSA-N 1 1 361.362 0.178 20 5 FCBDMO COc1cc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000264501423 488679932 /nfs/dbraw/zinc/67/99/32/488679932.db2.gz KJTYTDSIQYGPIF-CYBMUJFWSA-N 1 1 350.375 0.673 20 5 FCBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000264606136 488689498 /nfs/dbraw/zinc/68/94/98/488689498.db2.gz OPDSXQQTPNQLGM-OAHLLOKOSA-N 1 1 363.418 0.776 20 5 FCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000264735417 488704910 /nfs/dbraw/zinc/70/49/10/488704910.db2.gz JQWZKPRHKYSKEB-SWLSCSKDSA-N 1 1 363.418 0.075 20 5 FCBDMO Cc1c(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000264758059 488707704 /nfs/dbraw/zinc/70/77/04/488707704.db2.gz NPXKYLADWMKSJB-OAHLLOKOSA-N 1 1 373.417 0.460 20 5 FCBDMO Cc1c(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000264758059 488707706 /nfs/dbraw/zinc/70/77/06/488707706.db2.gz NPXKYLADWMKSJB-OAHLLOKOSA-N 1 1 373.417 0.460 20 5 FCBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154468337 488743662 /nfs/dbraw/zinc/74/36/62/488743662.db2.gz MOVBOLOXBMCUJU-IRXDYDNUSA-N 1 1 362.430 0.867 20 5 FCBDMO C[C@@](O)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)C[NH+]1CCOCC1 ZINC000158336812 488777508 /nfs/dbraw/zinc/77/75/08/488777508.db2.gz MRLQKHUWLNXXSP-MRXNPFEDSA-N 1 1 355.366 0.476 20 5 FCBDMO CNC(=O)C[NH+]1CCC(NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000159690372 488786705 /nfs/dbraw/zinc/78/67/05/488786705.db2.gz BYXPKOKZXWXFEU-UHFFFAOYSA-N 1 1 363.418 0.647 20 5 FCBDMO Cn1cc([C@@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]2CO)cn1 ZINC000277927804 488793470 /nfs/dbraw/zinc/79/34/70/488793470.db2.gz YMWFPYCZDCJJET-GJZGRUSLSA-N 1 1 359.386 0.635 20 5 FCBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000267662667 488810538 /nfs/dbraw/zinc/81/05/38/488810538.db2.gz ZRSKZEQQINUJEV-KGLIPLIRSA-N 1 1 366.418 0.547 20 5 FCBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000267662667 488810540 /nfs/dbraw/zinc/81/05/40/488810540.db2.gz ZRSKZEQQINUJEV-KGLIPLIRSA-N 1 1 366.418 0.547 20 5 FCBDMO CNC(=O)N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000267864862 488826218 /nfs/dbraw/zinc/82/62/18/488826218.db2.gz TZFXCUHYHOXHGL-UHFFFAOYSA-N 1 1 365.390 0.889 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000173732010 488845036 /nfs/dbraw/zinc/84/50/36/488845036.db2.gz CZHKXQAXODUYRH-GDBMZVCRSA-N 1 1 353.423 0.196 20 5 FCBDMO COc1ccc(S(=O)(=O)NCCC[N@@H+](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000288708563 489007129 /nfs/dbraw/zinc/00/71/29/489007129.db2.gz XNIBJZKNXIHFEK-UHFFFAOYSA-N 1 1 374.463 0.765 20 5 FCBDMO COc1ccc(S(=O)(=O)NCCCN(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000288708563 489007133 /nfs/dbraw/zinc/00/71/33/489007133.db2.gz XNIBJZKNXIHFEK-UHFFFAOYSA-N 1 1 374.463 0.765 20 5 FCBDMO C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000364917024 489017298 /nfs/dbraw/zinc/01/72/98/489017298.db2.gz JSOIFAILSNTFML-HNNXBMFYSA-N 1 1 368.459 0.995 20 5 FCBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000365350616 489066189 /nfs/dbraw/zinc/06/61/89/489066189.db2.gz FEVPYMLACWXVMY-AWEZNQCLSA-N 1 1 350.423 0.420 20 5 FCBDMO COc1cc(OCC(=O)NCCC[N@@H+](C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000290598212 489152197 /nfs/dbraw/zinc/15/21/97/489152197.db2.gz JFLPRRQPJBWQRD-UHFFFAOYSA-N 1 1 368.434 0.982 20 5 FCBDMO COc1cc(OCC(=O)NCCCN(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000290598212 489152198 /nfs/dbraw/zinc/15/21/98/489152198.db2.gz JFLPRRQPJBWQRD-UHFFFAOYSA-N 1 1 368.434 0.982 20 5 FCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000366423374 489180227 /nfs/dbraw/zinc/18/02/27/489180227.db2.gz JETXVTIXDCVENS-HUUCEWRRSA-N 1 1 366.422 0.734 20 5 FCBDMO C[N@@H+](CCO)C1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000331288109 489194146 /nfs/dbraw/zinc/19/41/46/489194146.db2.gz NHNGRXRIQQTRIB-UHFFFAOYSA-N 1 1 357.432 0.813 20 5 FCBDMO Cc1[nH+]ccn1CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000297635205 489216905 /nfs/dbraw/zinc/21/69/05/489216905.db2.gz SROTZQAKCHOQHJ-UHFFFAOYSA-N 1 1 367.387 0.194 20 5 FCBDMO CCCNC(=O)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298460930 489328022 /nfs/dbraw/zinc/32/80/22/489328022.db2.gz LPLQBKOOTQOUDN-UHFFFAOYSA-N 1 1 364.406 0.491 20 5 FCBDMO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(=O)[nH]n1 ZINC000286181147 489365212 /nfs/dbraw/zinc/36/52/12/489365212.db2.gz QVYCHEMBDNLRIM-SNVBAGLBSA-N 1 1 367.387 0.307 20 5 FCBDMO COCC[NH+](CCOC)C1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000286727106 489422023 /nfs/dbraw/zinc/42/20/23/489422023.db2.gz PVLAYNFDDDZMDP-UHFFFAOYSA-N 1 1 369.422 0.826 20 5 FCBDMO COc1cc(C(=O)NCCC[NH+]2CCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000299444752 489442416 /nfs/dbraw/zinc/44/24/16/489442416.db2.gz JFBOONSDXWDRMF-UHFFFAOYSA-N 1 1 366.418 0.979 20 5 FCBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000363266198 489446550 /nfs/dbraw/zinc/44/65/50/489446550.db2.gz OCBQRMXVCZXJSG-MRXNPFEDSA-N 1 1 362.430 0.660 20 5 FCBDMO COc1ccc(C(=O)NCC(=O)NCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000299497575 489447780 /nfs/dbraw/zinc/44/77/80/489447780.db2.gz QOBAETNQNAVDGI-UHFFFAOYSA-N 1 1 361.358 0.655 20 5 FCBDMO Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000414308197 489495611 /nfs/dbraw/zinc/49/56/11/489495611.db2.gz SMHMUMLRGJIORV-UHFFFAOYSA-N 1 1 351.388 0.761 20 5 FCBDMO NS(=O)(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000372466411 489587492 /nfs/dbraw/zinc/58/74/92/489587492.db2.gz ZVLYTCXFJNIYHP-NSHDSACASA-N 1 1 374.394 0.815 20 5 FCBDMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC[N@@H+]1C[C@@H](C)O ZINC000455784556 489600067 /nfs/dbraw/zinc/60/00/67/489600067.db2.gz IJGJQTIDYJHOPF-VXGBXAGGSA-N 1 1 351.407 0.949 20 5 FCBDMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC[N@H+]1C[C@@H](C)O ZINC000455784556 489600069 /nfs/dbraw/zinc/60/00/69/489600069.db2.gz IJGJQTIDYJHOPF-VXGBXAGGSA-N 1 1 351.407 0.949 20 5 FCBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)n1 ZINC000427289716 489600593 /nfs/dbraw/zinc/60/05/93/489600593.db2.gz RSAJFLXQSKZTCE-LBPRGKRZSA-N 1 1 364.406 0.190 20 5 FCBDMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000416493656 489601198 /nfs/dbraw/zinc/60/11/98/489601198.db2.gz FWKKHPFAPHNACJ-SNVBAGLBSA-N 1 1 357.388 0.596 20 5 FCBDMO C[C@@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@H](C)[N@H+]1CCO ZINC000456208941 489610805 /nfs/dbraw/zinc/61/08/05/489610805.db2.gz JJOYASRPLMKMJR-PHIMTYICSA-N 1 1 351.359 0.851 20 5 FCBDMO C[C@@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@H](C)[N@@H+]1CCO ZINC000456208941 489610806 /nfs/dbraw/zinc/61/08/06/489610806.db2.gz JJOYASRPLMKMJR-PHIMTYICSA-N 1 1 351.359 0.851 20 5 FCBDMO CS(=O)(=O)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000429403472 489686083 /nfs/dbraw/zinc/68/60/83/489686083.db2.gz ISVAMOGVYCESTF-OLZOCXBDSA-N 1 1 358.416 0.701 20 5 FCBDMO CS(=O)(=O)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000429403472 489686085 /nfs/dbraw/zinc/68/60/85/489686085.db2.gz ISVAMOGVYCESTF-OLZOCXBDSA-N 1 1 358.416 0.701 20 5 FCBDMO COC(=O)COc1ccc(CNC[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000474352227 489756692 /nfs/dbraw/zinc/75/66/92/489756692.db2.gz KYZJYYTXUUIXTJ-CQSZACIVSA-N 1 1 366.418 0.482 20 5 FCBDMO COC(=O)COc1ccc(CNC[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000474352227 489756695 /nfs/dbraw/zinc/75/66/95/489756695.db2.gz KYZJYYTXUUIXTJ-CQSZACIVSA-N 1 1 366.418 0.482 20 5 FCBDMO NS(=O)(=O)c1cccc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000376898348 489813613 /nfs/dbraw/zinc/81/36/13/489813613.db2.gz VYGKFRYVTBQEQF-MNOVXSKESA-N 1 1 356.404 0.517 20 5 FCBDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000476368475 489882835 /nfs/dbraw/zinc/88/28/35/489882835.db2.gz HJKQZEFTUAMIKX-UHFFFAOYSA-N 1 1 358.362 0.757 20 5 FCBDMO CC(C)c1n[nH]c(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000433932727 489905828 /nfs/dbraw/zinc/90/58/28/489905828.db2.gz SONHGVZRUVSFCL-LLVKDONJSA-N 1 1 366.422 0.759 20 5 FCBDMO [NH3+]CC(F)(F)CNC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000420175671 489940701 /nfs/dbraw/zinc/94/07/01/489940701.db2.gz OPQVTQLCJFSIJY-UHFFFAOYSA-N 1 1 356.329 0.796 20 5 FCBDMO O=C1C[C@]2(CN1)CCC[N@@H+]([C@@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000462274242 489964972 /nfs/dbraw/zinc/96/49/72/489964972.db2.gz DHCBPGXMOVUORE-KDOFPFPSSA-N 1 1 372.381 0.829 20 5 FCBDMO O=C1C[C@]2(CN1)CCC[N@H+]([C@@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000462274242 489964974 /nfs/dbraw/zinc/96/49/74/489964974.db2.gz DHCBPGXMOVUORE-KDOFPFPSSA-N 1 1 372.381 0.829 20 5 FCBDMO CNC(=O)C[NH+]1CCC(Nc2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000478287804 490013717 /nfs/dbraw/zinc/01/37/17/490013717.db2.gz XZZRRZZVTRPYSV-UHFFFAOYSA-N 1 1 351.363 0.399 20 5 FCBDMO COC(=O)C[C@@]1([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCOC1 ZINC000464597668 490061081 /nfs/dbraw/zinc/06/10/81/490061081.db2.gz RARMBEXHDUZBIN-KRWDZBQOSA-N 1 1 363.370 0.796 20 5 FCBDMO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000378501057 490074579 /nfs/dbraw/zinc/07/45/79/490074579.db2.gz VNHDLUKEMMINRM-GXTWGEPZSA-N 1 1 363.370 0.995 20 5 FCBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)cc1[N+](=O)[O-] ZINC000421393958 490077288 /nfs/dbraw/zinc/07/72/88/490077288.db2.gz RZXYHGNIHOJFJS-CYBMUJFWSA-N 1 1 351.359 0.857 20 5 FCBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](NC(C)=O)C2)cc1[N+](=O)[O-] ZINC000421393958 490077292 /nfs/dbraw/zinc/07/72/92/490077292.db2.gz RZXYHGNIHOJFJS-CYBMUJFWSA-N 1 1 351.359 0.857 20 5 FCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000545155491 490085628 /nfs/dbraw/zinc/08/56/28/490085628.db2.gz UUBAKAQKBFSWPD-QGZVFWFLSA-N 1 1 360.370 0.705 20 5 FCBDMO COc1ccc(C(=O)NCC(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000422022295 490127736 /nfs/dbraw/zinc/12/77/36/490127736.db2.gz NSPKXFYKGVXQKU-ZDUSSCGKSA-N 1 1 364.402 0.886 20 5 FCBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000422027773 490128490 /nfs/dbraw/zinc/12/84/90/490128490.db2.gz VWXNSDSNURBVNK-OAHLLOKOSA-N 1 1 363.418 0.947 20 5 FCBDMO C[C@](O)(CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000465749464 490142907 /nfs/dbraw/zinc/14/29/07/490142907.db2.gz HDZMCTACZQSOMK-KRWDZBQOSA-N 1 1 366.418 0.520 20 5 FCBDMO CCn1cc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c([N+](=O)[O-])n1 ZINC000407990988 490196241 /nfs/dbraw/zinc/19/62/41/490196241.db2.gz RKJBOCKGOXQBKO-RYUDHWBXSA-N 1 1 357.436 0.916 20 5 FCBDMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000408025255 490213165 /nfs/dbraw/zinc/21/31/65/490213165.db2.gz PTDMGHDDJCKVHF-KRWDZBQOSA-N 1 1 359.430 0.633 20 5 FCBDMO Cc1ccc(S(=O)(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000408027958 490214745 /nfs/dbraw/zinc/21/47/45/490214745.db2.gz NBHHOKHMQLHABI-KGLIPLIRSA-N 1 1 355.416 0.997 20 5 FCBDMO Cc1ccc(S(=O)(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000408027958 490214752 /nfs/dbraw/zinc/21/47/52/490214752.db2.gz NBHHOKHMQLHABI-KGLIPLIRSA-N 1 1 355.416 0.997 20 5 FCBDMO CNC(=O)N[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000466951372 490232527 /nfs/dbraw/zinc/23/25/27/490232527.db2.gz MZXMZRZSSHBMOF-NSHDSACASA-N 1 1 365.390 0.935 20 5 FCBDMO CC1(C)NC(=O)N(CC[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000533514548 490245997 /nfs/dbraw/zinc/24/59/97/490245997.db2.gz FPUJIQJRBNDNAB-LLVKDONJSA-N 1 1 362.390 0.806 20 5 FCBDMO C[C@](O)(CNC(=O)CNc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000467486716 490298366 /nfs/dbraw/zinc/29/83/66/490298366.db2.gz JJGJXFZBTJJTAG-INIZCTEOSA-N 1 1 352.391 0.206 20 5 FCBDMO CNS(=O)(=O)c1ccc(NC[C@H]2CCC[N@H+]2CCCO)c([N+](=O)[O-])c1 ZINC000450591480 490477891 /nfs/dbraw/zinc/47/78/91/490477891.db2.gz GANKQPIRDYPIQJ-GFCCVEGCSA-N 1 1 372.447 0.762 20 5 FCBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@H+]1CCCO ZINC000450593045 490478064 /nfs/dbraw/zinc/47/80/64/490478064.db2.gz IFQGXRITSNBUGV-LBPRGKRZSA-N 1 1 358.420 0.501 20 5 FCBDMO C[C@H]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000571824192 491331280 /nfs/dbraw/zinc/33/12/80/491331280.db2.gz NJDZOFGEVQYWPE-GXSJLCMTSA-N 1 1 368.415 0.597 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+](C)C1 ZINC000413917486 490516233 /nfs/dbraw/zinc/51/62/33/490516233.db2.gz JZECUCPAWPXUOO-LLVKDONJSA-N 1 1 353.379 0.090 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@@H+](C)C1 ZINC000413917486 490516237 /nfs/dbraw/zinc/51/62/37/490516237.db2.gz JZECUCPAWPXUOO-LLVKDONJSA-N 1 1 353.379 0.090 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC[N@@H+](C)C1 ZINC000413925786 490521291 /nfs/dbraw/zinc/52/12/91/490521291.db2.gz VAXVDKXBAYKJMR-LBPRGKRZSA-N 1 1 353.379 0.053 20 5 FCBDMO CN(C)S(=O)(=O)c1ccc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000485999663 490580668 /nfs/dbraw/zinc/58/06/68/490580668.db2.gz GIMFNSMWRAAAQM-TXEJJXNPSA-N 1 1 354.432 0.843 20 5 FCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000501505086 490608893 /nfs/dbraw/zinc/60/88/93/490608893.db2.gz ODEXEERPQYTRNI-CQSZACIVSA-N 1 1 359.386 0.477 20 5 FCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000501513501 490610365 /nfs/dbraw/zinc/61/03/65/490610365.db2.gz PLGPABGRASCHBV-KRWDZBQOSA-N 1 1 359.386 0.695 20 5 FCBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000486391981 490617524 /nfs/dbraw/zinc/61/75/24/490617524.db2.gz DDYXYGBBXHUNIT-RYUDHWBXSA-N 1 1 370.431 0.187 20 5 FCBDMO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536859682 490619598 /nfs/dbraw/zinc/61/95/98/490619598.db2.gz WEPFHYSONPAHDY-GXTWGEPZSA-N 1 1 368.459 0.945 20 5 FCBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536859682 490619601 /nfs/dbraw/zinc/61/96/01/490619601.db2.gz WEPFHYSONPAHDY-GXTWGEPZSA-N 1 1 368.459 0.945 20 5 FCBDMO O=C(CN1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000486431882 490624252 /nfs/dbraw/zinc/62/42/52/490624252.db2.gz DBRIKBDRACKAFV-ZDUSSCGKSA-N 1 1 361.402 0.430 20 5 FCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000501739133 490638787 /nfs/dbraw/zinc/63/87/87/490638787.db2.gz KFKDTIYQQLFMLN-CABCVRRESA-N 1 1 373.413 0.941 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000538961329 490759377 /nfs/dbraw/zinc/75/93/77/490759377.db2.gz BONIAXIQYVUUEF-NSHDSACASA-N 1 1 372.403 0.295 20 5 FCBDMO Cc1nn(C)c(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000540821320 490836716 /nfs/dbraw/zinc/83/67/16/490836716.db2.gz ULRRGTVLBNWYHR-ZDUSSCGKSA-N 1 1 352.439 0.639 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000540979612 490844157 /nfs/dbraw/zinc/84/41/57/490844157.db2.gz RIAIFLIYZYSUPR-NSHDSACASA-N 1 1 350.379 0.121 20 5 FCBDMO Cc1c(Br)c(=O)n(CC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000541289350 490857433 /nfs/dbraw/zinc/85/74/33/490857433.db2.gz LUUJNHRYLUCFRR-UHFFFAOYSA-N 1 1 373.207 0.601 20 5 FCBDMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000516948486 490887057 /nfs/dbraw/zinc/88/70/57/490887057.db2.gz IVDCOYFBAKHBMX-QGZVFWFLSA-N 1 1 352.435 0.656 20 5 FCBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000517564068 490911978 /nfs/dbraw/zinc/91/19/78/490911978.db2.gz VIUWOVYJCTYVJB-GFCCVEGCSA-N 1 1 360.374 0.626 20 5 FCBDMO C[NH+]1CCC(N2CCC(NC(=O)c3ccnc(N)c3[N+](=O)[O-])CC2)CC1 ZINC000517585018 490913602 /nfs/dbraw/zinc/91/36/02/490913602.db2.gz QQLULKHBSSOTSG-UHFFFAOYSA-N 1 1 362.434 0.860 20 5 FCBDMO CNc1ccc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000531125282 490942252 /nfs/dbraw/zinc/94/22/52/490942252.db2.gz OOAWHSKXUSUTLB-INIZCTEOSA-N 1 1 352.391 0.450 20 5 FCBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)COC3CCOCC3)CC2)cn1 ZINC000531525806 490962438 /nfs/dbraw/zinc/96/24/38/490962438.db2.gz RNOHSUDJFYLMMS-HNNXBMFYSA-N 1 1 366.418 0.668 20 5 FCBDMO CS(=O)(=O)NCC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000573343954 491427687 /nfs/dbraw/zinc/42/76/87/491427687.db2.gz BRMAGFBHFXKUGD-ZDUSSCGKSA-N 1 1 373.431 0.348 20 5 FCBDMO CS(=O)(=O)NCC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000573343954 491427689 /nfs/dbraw/zinc/42/76/89/491427689.db2.gz BRMAGFBHFXKUGD-ZDUSSCGKSA-N 1 1 373.431 0.348 20 5 FCBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000566437630 491443738 /nfs/dbraw/zinc/44/37/38/491443738.db2.gz HFDAQKWLTNMHAX-LBPRGKRZSA-N 1 1 364.406 0.245 20 5 FCBDMO O=C(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)c1c[nH]nc1[N+](=O)[O-] ZINC000558764654 491445278 /nfs/dbraw/zinc/44/52/78/491445278.db2.gz NVRAQRVPFBVHNR-ZFWWWQNUSA-N 1 1 359.386 0.931 20 5 FCBDMO C[C@H]1COCC[N@@H+]1C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000559640864 491488828 /nfs/dbraw/zinc/48/88/28/491488828.db2.gz SSQYJUMVKYCPPN-XJKSGUPXSA-N 1 1 353.423 0.337 20 5 FCBDMO C[C@H]1COCC[N@H+]1C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000559640864 491488830 /nfs/dbraw/zinc/48/88/30/491488830.db2.gz SSQYJUMVKYCPPN-XJKSGUPXSA-N 1 1 353.423 0.337 20 5 FCBDMO CS(=O)(=O)NCC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000559759609 491496412 /nfs/dbraw/zinc/49/64/12/491496412.db2.gz QXLQGATVRBQTEK-CQSZACIVSA-N 1 1 373.431 0.348 20 5 FCBDMO CS(=O)(=O)NCC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000559759609 491496415 /nfs/dbraw/zinc/49/64/15/491496415.db2.gz QXLQGATVRBQTEK-CQSZACIVSA-N 1 1 373.431 0.348 20 5 FCBDMO CC[N@@H+](C)C[C@@H](O)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000568413127 491575766 /nfs/dbraw/zinc/57/57/66/491575766.db2.gz VKCAPKBDGBHNMV-CJNGLKHVSA-N 1 1 350.375 0.674 20 5 FCBDMO CNc1nccc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000561315559 491596761 /nfs/dbraw/zinc/59/67/61/491596761.db2.gz IOQUBZJWBGERQG-GFCCVEGCSA-N 1 1 350.423 0.787 20 5 FCBDMO CNc1nccc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000577189333 491599672 /nfs/dbraw/zinc/59/96/72/491599672.db2.gz SNMOBCYOBLYLKN-GFCCVEGCSA-N 1 1 351.407 0.998 20 5 FCBDMO CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000562332296 491666374 /nfs/dbraw/zinc/66/63/74/491666374.db2.gz SHRAQSUGEDHKQA-UHFFFAOYSA-N 1 1 361.406 0.820 20 5 FCBDMO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)CC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000594843520 491865058 /nfs/dbraw/zinc/86/50/58/491865058.db2.gz PELIUZSYUHCLNS-UHFFFAOYSA-N 1 1 372.447 0.544 20 5 FCBDMO CS(=O)(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000612065568 491896779 /nfs/dbraw/zinc/89/67/79/491896779.db2.gz BRCFRSQTYIYKRJ-OLZOCXBDSA-N 1 1 373.431 0.348 20 5 FCBDMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000612065568 491896780 /nfs/dbraw/zinc/89/67/80/491896780.db2.gz BRCFRSQTYIYKRJ-OLZOCXBDSA-N 1 1 373.431 0.348 20 5 FCBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000602193819 491966666 /nfs/dbraw/zinc/96/66/66/491966666.db2.gz IBPQEWZBLMXQOJ-UHFFFAOYSA-N 1 1 364.402 0.840 20 5 FCBDMO CC1(C)COCC[N@@H+]1CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596112918 491975782 /nfs/dbraw/zinc/97/57/82/491975782.db2.gz WTTNMKBSPKKKPR-UHFFFAOYSA-N 1 1 358.420 0.765 20 5 FCBDMO CC1(C)COCC[N@H+]1CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596112918 491975785 /nfs/dbraw/zinc/97/57/85/491975785.db2.gz WTTNMKBSPKKKPR-UHFFFAOYSA-N 1 1 358.420 0.765 20 5 FCBDMO NC(=O)c1cc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000596174171 491978539 /nfs/dbraw/zinc/97/85/39/491978539.db2.gz BSBQTJULNGOZBK-OAHLLOKOSA-N 1 1 361.402 0.612 20 5 FCBDMO C[C@H](CCN1CC[NH+](C)CC1)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596195017 491979124 /nfs/dbraw/zinc/97/91/24/491979124.db2.gz CTVXHDSHORBYOE-GFCCVEGCSA-N 1 1 371.463 0.680 20 5 FCBDMO CC1(C)CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000596220496 491979910 /nfs/dbraw/zinc/97/99/10/491979910.db2.gz CPALNDLAMRHOCW-UHFFFAOYSA-N 1 1 358.420 0.135 20 5 FCBDMO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596231178 491980697 /nfs/dbraw/zinc/98/06/97/491980697.db2.gz GYYWYDWDVFGTFI-DGCLKSJQSA-N 1 1 370.431 0.542 20 5 FCBDMO C[C@@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000596257258 491981177 /nfs/dbraw/zinc/98/11/77/491981177.db2.gz HRXNRJPLYKMUFM-PHIMTYICSA-N 1 1 358.420 0.134 20 5 FCBDMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000597284112 492027355 /nfs/dbraw/zinc/02/73/55/492027355.db2.gz ZZYLSCYPQXOOEG-NSHDSACASA-N 1 1 374.401 0.688 20 5 FCBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000598343031 492095375 /nfs/dbraw/zinc/09/53/75/492095375.db2.gz RSSWOHNWWXREBV-LLVKDONJSA-N 1 1 356.404 0.456 20 5 FCBDMO COC(=O)c1ccnc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000598592825 492105923 /nfs/dbraw/zinc/10/59/23/492105923.db2.gz LPYYGRPAZRXURS-STQMWFEESA-N 1 1 350.375 0.812 20 5 FCBDMO COCC[N@@H+](C)CCCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598589083 492105938 /nfs/dbraw/zinc/10/59/38/492105938.db2.gz CWKMWNWVTRSZEI-UHFFFAOYSA-N 1 1 354.411 0.602 20 5 FCBDMO Cc1ccc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)c(C)c1[N+](=O)[O-] ZINC000598601007 492106970 /nfs/dbraw/zinc/10/69/70/492106970.db2.gz CTURYZHPTFELHQ-UHFFFAOYSA-N 1 1 357.432 0.900 20 5 FCBDMO Cc1ccc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)c(C)c1[N+](=O)[O-] ZINC000598601007 492106971 /nfs/dbraw/zinc/10/69/71/492106971.db2.gz CTURYZHPTFELHQ-UHFFFAOYSA-N 1 1 357.432 0.900 20 5 FCBDMO COCC[NH+]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000598898292 492121201 /nfs/dbraw/zinc/12/12/01/492121201.db2.gz QPNPKPHLVMBZSP-UHFFFAOYSA-N 1 1 365.390 0.507 20 5 FCBDMO C[C@@H](NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000598900687 492121373 /nfs/dbraw/zinc/12/13/73/492121373.db2.gz TZCRGYLZVVNXQK-BXUZGUMPSA-N 1 1 365.390 0.552 20 5 FCBDMO C[C@@H](NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000598900687 492121374 /nfs/dbraw/zinc/12/13/74/492121374.db2.gz TZCRGYLZVVNXQK-BXUZGUMPSA-N 1 1 365.390 0.552 20 5 FCBDMO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCC[N@H+]1CCCOCC1 ZINC000598903725 492121849 /nfs/dbraw/zinc/12/18/49/492121849.db2.gz BQJXCUSOVDYUPE-UHFFFAOYSA-N 1 1 365.390 0.555 20 5 FCBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCN(Cc3cn[nH]c3)CC2)c1 ZINC000599440840 492173201 /nfs/dbraw/zinc/17/32/01/492173201.db2.gz SLJGPLBFFHUTSV-MRXNPFEDSA-N 1 1 361.402 0.875 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000608866045 492194556 /nfs/dbraw/zinc/19/45/56/492194556.db2.gz XOWSSJVNEPVNOS-LLVKDONJSA-N 1 1 374.401 0.788 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000608866045 492194557 /nfs/dbraw/zinc/19/45/57/492194557.db2.gz XOWSSJVNEPVNOS-LLVKDONJSA-N 1 1 374.401 0.788 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000608866045 492194560 /nfs/dbraw/zinc/19/45/60/492194560.db2.gz XOWSSJVNEPVNOS-LLVKDONJSA-N 1 1 374.401 0.788 20 5 FCBDMO CCn1ccnc1C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609006758 492196576 /nfs/dbraw/zinc/19/65/76/492196576.db2.gz UQSXMYDNBHZLRZ-UHFFFAOYSA-N 1 1 353.404 0.879 20 5 FCBDMO COc1cc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])cc1OC ZINC000609530925 492211788 /nfs/dbraw/zinc/21/17/88/492211788.db2.gz CPEXOSILJCPCFO-NSHDSACASA-N 1 1 352.391 0.588 20 5 FCBDMO COc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])cc1OC ZINC000609530925 492211791 /nfs/dbraw/zinc/21/17/91/492211791.db2.gz CPEXOSILJCPCFO-NSHDSACASA-N 1 1 352.391 0.588 20 5 FCBDMO C[N@H+]1CCCC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000609548485 492213478 /nfs/dbraw/zinc/21/34/78/492213478.db2.gz COLZZSTWVRXWCV-CQSZACIVSA-N 1 1 370.431 0.474 20 5 FCBDMO Cc1n[nH]c(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000609559486 492213675 /nfs/dbraw/zinc/21/36/75/492213675.db2.gz JIZWOSJHPLXMBX-CYBMUJFWSA-N 1 1 350.423 0.867 20 5 FCBDMO Cn1c(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000609668175 492217541 /nfs/dbraw/zinc/21/75/41/492217541.db2.gz HVWKMYYCGOTEJK-ZDUSSCGKSA-N 1 1 351.407 0.070 20 5 FCBDMO CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000609702631 492219162 /nfs/dbraw/zinc/21/91/62/492219162.db2.gz QYEOUEVAWBINHP-DOMZBBRYSA-N 1 1 364.402 0.550 20 5 FCBDMO CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000609702631 492219165 /nfs/dbraw/zinc/21/91/65/492219165.db2.gz QYEOUEVAWBINHP-DOMZBBRYSA-N 1 1 364.402 0.550 20 5 FCBDMO CC[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000609702633 492219248 /nfs/dbraw/zinc/21/92/48/492219248.db2.gz QYEOUEVAWBINHP-SWLSCSKDSA-N 1 1 364.402 0.550 20 5 FCBDMO CC[N@H+]1CCO[C@H](CNC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000609702633 492219250 /nfs/dbraw/zinc/21/92/50/492219250.db2.gz QYEOUEVAWBINHP-SWLSCSKDSA-N 1 1 364.402 0.550 20 5 FCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000619251642 492256219 /nfs/dbraw/zinc/25/62/19/492256219.db2.gz IEUINBAKUFLPNJ-GFCCVEGCSA-N 1 1 372.385 0.785 20 5 FCBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@@H]1C[N@H+](C)CCO1 ZINC000610900572 492267976 /nfs/dbraw/zinc/26/79/76/492267976.db2.gz AYTKZESMGMGALJ-HZMBPMFUSA-N 1 1 351.359 0.815 20 5 FCBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@@H]1C[N@@H+](C)CCO1 ZINC000610900572 492267978 /nfs/dbraw/zinc/26/79/78/492267978.db2.gz AYTKZESMGMGALJ-HZMBPMFUSA-N 1 1 351.359 0.815 20 5 FCBDMO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000611104204 492278325 /nfs/dbraw/zinc/27/83/25/492278325.db2.gz MSXDKIINQXRHLB-LLVKDONJSA-N 1 1 356.404 0.153 20 5 FCBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000611165994 492280043 /nfs/dbraw/zinc/28/00/43/492280043.db2.gz UQPYMGMXNPTHMT-UHFFFAOYSA-N 1 1 374.401 0.704 20 5 FCBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000611515817 492289522 /nfs/dbraw/zinc/28/95/22/492289522.db2.gz HGCUJDACVDVGPR-UHFFFAOYSA-N 1 1 351.359 0.852 20 5 FCBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1OC ZINC000545174293 546883036 /nfs/dbraw/zinc/88/30/36/546883036.db2.gz DKIPPGHRHDGFLO-MRXNPFEDSA-N 1 1 353.375 0.799 20 5 FCBDMO C[N@H+]1CC[C@](O)(CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000547275979 546903679 /nfs/dbraw/zinc/90/36/79/546903679.db2.gz RSQWJRCKXBAKFW-INIZCTEOSA-N 1 1 351.359 0.091 20 5 FCBDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000592196545 546946597 /nfs/dbraw/zinc/94/65/97/546946597.db2.gz KZCLIONNOCNSTE-RYUDHWBXSA-N 1 1 354.359 0.838 20 5 FCBDMO CCCN(C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592829706 546958682 /nfs/dbraw/zinc/95/86/82/546958682.db2.gz VUXQBRWKBFPUEV-GFCCVEGCSA-N 1 1 370.431 0.799 20 5 FCBDMO Cc1cc(CN2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)on1 ZINC000174710107 547352533 /nfs/dbraw/zinc/35/25/33/547352533.db2.gz MWUPMFWEIREAMP-CQSZACIVSA-N 1 1 350.379 0.266 20 5 FCBDMO O=C(NCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000949177382 674396203 /nfs/dbraw/zinc/39/62/03/674396203.db2.gz JAHJLVUOHHLQSE-ZIAGYGMSSA-N 1 1 350.419 0.102 20 5 FCBDMO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1[NH+]1CCOCC1 ZINC000820994180 607174299 /nfs/dbraw/zinc/17/42/99/607174299.db2.gz FVGJCIZKNOERMQ-BXUZGUMPSA-N 1 1 374.405 0.717 20 5 FCBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccn(CC(F)(F)F)n2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063836 663398424 /nfs/dbraw/zinc/39/84/24/663398424.db2.gz MFVMIZFXFBYPJZ-WRWGMCAJSA-N 1 1 361.324 0.847 20 5 FCBDMO CN1CC[NH+](CCCCNS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119530750 664199590 /nfs/dbraw/zinc/19/95/90/664199590.db2.gz AFPWHJFVFFECBQ-UHFFFAOYSA-N 1 1 362.477 0.962 20 5 FCBDMO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@@H+](CC(=O)N1CCC1)C2 ZINC000982278390 664863686 /nfs/dbraw/zinc/86/36/86/664863686.db2.gz AIRRZRSDDFEDSJ-KFZJALRRSA-N 1 1 350.419 0.054 20 5 FCBDMO CC(C)c1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1C ZINC000983648930 664978164 /nfs/dbraw/zinc/97/81/64/664978164.db2.gz MMHUDVKQFWSVAZ-FDYHWXHSSA-N 1 1 350.423 0.588 20 5 FCBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905877277 666042024 /nfs/dbraw/zinc/04/20/24/666042024.db2.gz PSHSKZJEDBXBTE-RHSMWYFYSA-N 1 1 351.403 0.619 20 5 FCBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000916599369 667008870 /nfs/dbraw/zinc/00/88/70/667008870.db2.gz OGLODUZECFYNKR-LLVKDONJSA-N 1 1 350.375 0.886 20 5 FCBDMO C[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000919999390 667217167 /nfs/dbraw/zinc/21/71/67/667217167.db2.gz IMHSSJFCDPEXKY-CZUORRHYSA-N 1 1 370.475 0.691 20 5 FCBDMO C[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000919999390 667217169 /nfs/dbraw/zinc/21/71/69/667217169.db2.gz IMHSSJFCDPEXKY-CZUORRHYSA-N 1 1 370.475 0.691 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000920019244 667219869 /nfs/dbraw/zinc/21/98/69/667219869.db2.gz JLGVTJKKSMOMRB-TZMCWYRMSA-N 1 1 356.448 0.816 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000920019244 667219873 /nfs/dbraw/zinc/21/98/73/667219873.db2.gz JLGVTJKKSMOMRB-TZMCWYRMSA-N 1 1 356.448 0.816 20 5 FCBDMO CC(C)(C(=O)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)[NH+]1CCCC1 ZINC000946702882 667708324 /nfs/dbraw/zinc/70/83/24/667708324.db2.gz ASAXDJLWWFTDBW-ZIAGYGMSSA-N 1 1 352.435 0.633 20 5 FCBDMO Cc1nc(C)n(CC[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001034643653 667761935 /nfs/dbraw/zinc/76/19/35/667761935.db2.gz QLKONYSGPOAVJI-KBUPBQIOSA-N 1 1 350.423 0.577 20 5 FCBDMO CC(C)n1nnnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001034643417 667762123 /nfs/dbraw/zinc/76/21/23/667762123.db2.gz OPOIMTMUYHAGOD-FDYHWXHSSA-N 1 1 351.411 0.436 20 5 FCBDMO O=[N+]([O-])c1ccc(F)cc1CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923434531 667835335 /nfs/dbraw/zinc/83/53/35/667835335.db2.gz RRAMNBHUAVGBTC-UHFFFAOYSA-N 1 1 358.395 0.153 20 5 FCBDMO NS(=O)(=O)c1ccc(N2CC[NH+](CCCCO)CC2)c([N+](=O)[O-])c1 ZINC000741750691 668023279 /nfs/dbraw/zinc/02/32/79/668023279.db2.gz XOITZLYGZRBFMG-UHFFFAOYSA-N 1 1 358.420 0.137 20 5 FCBDMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776586190 668274740 /nfs/dbraw/zinc/27/47/40/668274740.db2.gz KIHWVWLLOWBBHZ-IUODEOHRSA-N 1 1 357.432 0.889 20 5 FCBDMO C[NH+]1CCN(C(=O)CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000782951154 668590295 /nfs/dbraw/zinc/59/02/95/668590295.db2.gz VAXQIBNOGDDMQR-UHFFFAOYSA-N 1 1 362.433 0.246 20 5 FCBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000784124036 668643423 /nfs/dbraw/zinc/64/34/23/668643423.db2.gz WJEBXHMGIRPCSO-NSHDSACASA-N 1 1 350.375 0.886 20 5 FCBDMO NC(=O)[C@H]1CCC[N@H+](CCCNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819004487 668970023 /nfs/dbraw/zinc/97/00/23/668970023.db2.gz POVRBKSRGHQNAT-GOEBONIOSA-N 1 1 350.419 0.805 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819004487 668970026 /nfs/dbraw/zinc/97/00/26/668970026.db2.gz POVRBKSRGHQNAT-GOEBONIOSA-N 1 1 350.419 0.805 20 5 FCBDMO COCC[N@H+]1[C@H](C)CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@@H]1C ZINC000826632290 669505093 /nfs/dbraw/zinc/50/50/93/669505093.db2.gz FDNFSEVNPFIASE-TXEJJXNPSA-N 1 1 372.447 0.788 20 5 FCBDMO COCC[N@@H+]1[C@H](C)CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@@H]1C ZINC000826632290 669505097 /nfs/dbraw/zinc/50/50/97/669505097.db2.gz FDNFSEVNPFIASE-TXEJJXNPSA-N 1 1 372.447 0.788 20 5 FCBDMO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000829736723 669721153 /nfs/dbraw/zinc/72/11/53/669721153.db2.gz VUWKPKNBMGYFEF-LBPRGKRZSA-N 1 1 373.406 0.925 20 5 FCBDMO CNS(=O)(=O)NC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000812841150 669817940 /nfs/dbraw/zinc/81/79/40/669817940.db2.gz QSJOPBNOOKFBDP-CQSZACIVSA-N 1 1 358.420 0.146 20 5 FCBDMO COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000858629681 671770489 /nfs/dbraw/zinc/77/04/89/671770489.db2.gz WSNHZZILCIVZAX-SECBINFHSA-N 1 1 374.375 0.040 20 5 FCBDMO COc1ccc(CC(=O)N2CCN(C)CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000888992402 673667702 /nfs/dbraw/zinc/66/77/02/673667702.db2.gz JYRHBABGGTUVJR-UHFFFAOYSA-N 1 1 350.419 0.852 20 5 FCBDMO CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001011115202 675373632 /nfs/dbraw/zinc/37/36/32/675373632.db2.gz XSQFWZZSXWVUJC-HUUCEWRRSA-N 1 1 352.435 0.443 20 5 FCBDMO O=C(C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2)N1CCC1 ZINC001048525180 675859367 /nfs/dbraw/zinc/85/93/67/675859367.db2.gz OEDIMPFHKYIWPW-XLWJZTARSA-N 1 1 350.419 0.243 20 5 FCBDMO O=C(C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2)N1CCC1 ZINC001048525180 675859369 /nfs/dbraw/zinc/85/93/69/675859369.db2.gz OEDIMPFHKYIWPW-XLWJZTARSA-N 1 1 350.419 0.243 20 5 FCBDMO O=C(C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2)N1CCC1 ZINC001048525180 675859372 /nfs/dbraw/zinc/85/93/72/675859372.db2.gz OEDIMPFHKYIWPW-XLWJZTARSA-N 1 1 350.419 0.243 20 5 FCBDMO CN(CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(=O)C1CC[NH+](C)CC1 ZINC000988530126 1192259751 /nfs/dbraw/zinc/25/97/51/1192259751.db2.gz XOHNKXDGDPHEBK-HZPDHXFCSA-N 1 1 366.462 0.690 20 5 FCBDMO CN(C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccccc1 ZINC001691144235 1170840927 /nfs/dbraw/zinc/84/09/27/1170840927.db2.gz MJBHPFGFTRUDBG-RRCSTGOVSA-N 1 1 360.414 0.799 20 5 FCBDMO COc1cc(OCC(=O)N2CCN(C)CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000888993761 1186523571 /nfs/dbraw/zinc/52/35/71/1186523571.db2.gz FSYOHQVWZMJBTK-UHFFFAOYSA-N 1 1 366.418 0.688 20 5 FCBDMO COC(=O)[C@H]1CN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000894190804 1187646424 /nfs/dbraw/zinc/64/64/24/1187646424.db2.gz SBEWBGOXJLWAND-GFCCVEGCSA-N 1 1 374.397 0.988 20 5 FCBDMO C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1C[N@@H+](C)CCN1C ZINC000896580388 1190102674 /nfs/dbraw/zinc/10/26/74/1190102674.db2.gz IBJUXAYRJKXSCP-RISCZKNCSA-N 1 1 364.402 0.730 20 5 FCBDMO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1O ZINC000553893712 1194024010 /nfs/dbraw/zinc/02/40/10/1194024010.db2.gz JILHEAVQZRUUDN-CHWSQXEVSA-N 1 1 369.422 0.110 20 5 FCBDMO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1O ZINC000553893712 1194024012 /nfs/dbraw/zinc/02/40/12/1194024012.db2.gz JILHEAVQZRUUDN-CHWSQXEVSA-N 1 1 369.422 0.110 20 5 FCBDMO Cc1c(O)ccc2c(C[NH2+]CCNC(=O)[C@@H]3CC3[N+](=O)[O-])cc(=O)oc12 ZINC001126936459 1194606876 /nfs/dbraw/zinc/60/68/76/1194606876.db2.gz JCZOFKIWRSONNZ-CHWSQXEVSA-N 1 1 361.354 0.678 20 5 FCBDMO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000743375580 1198263939 /nfs/dbraw/zinc/26/39/39/1198263939.db2.gz UGNWUYZGPDAXJS-AWEZNQCLSA-N 1 1 374.397 0.945 20 5 FCBDMO CNC(=O)c1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001086363733 1198329027 /nfs/dbraw/zinc/32/90/27/1198329027.db2.gz IAPLSVAPASTBNG-DTZQCDIJSA-N 1 1 360.414 0.696 20 5 FCBDMO O=C([C@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]2OCC[C@H]21)N1CCOCC1 ZINC001169020968 1199043432 /nfs/dbraw/zinc/04/34/32/1199043432.db2.gz MRBDOSKJYJDMMC-BQJWPVKWSA-N 1 1 367.446 0.628 20 5 FCBDMO O=C(NCCO)C1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000768319583 1200140669 /nfs/dbraw/zinc/14/06/69/1200140669.db2.gz PZOIMTOUTHUTOO-UHFFFAOYSA-N 1 1 365.386 0.687 20 5 FCBDMO COCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001093487743 1206090864 /nfs/dbraw/zinc/09/08/64/1206090864.db2.gz MKNKKBVBNHKFJE-YYIAUSFCSA-N 1 1 366.462 0.438 20 5 FCBDMO COCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001093487743 1206090867 /nfs/dbraw/zinc/09/08/67/1206090867.db2.gz MKNKKBVBNHKFJE-YYIAUSFCSA-N 1 1 366.462 0.438 20 5 FCBDMO COCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001093487743 1206090868 /nfs/dbraw/zinc/09/08/68/1206090868.db2.gz MKNKKBVBNHKFJE-YYIAUSFCSA-N 1 1 366.462 0.438 20 5 FCBDMO Cn1nncc1C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001177313830 1206335581 /nfs/dbraw/zinc/33/55/81/1206335581.db2.gz SJQOFXKRADNBBZ-HZPDHXFCSA-N 1 1 364.450 0.979 20 5 FCBDMO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000853550307 1209597552 /nfs/dbraw/zinc/59/75/52/1209597552.db2.gz GEFOJNKOEQANOP-GFCCVEGCSA-N 1 1 360.370 0.555 20 5 FCBDMO CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000854469696 1209630050 /nfs/dbraw/zinc/63/00/50/1209630050.db2.gz AGURCISXQGVZPS-HUUCEWRRSA-N 1 1 374.397 0.338 20 5 FCBDMO CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000854469696 1209630053 /nfs/dbraw/zinc/63/00/53/1209630053.db2.gz AGURCISXQGVZPS-HUUCEWRRSA-N 1 1 374.397 0.338 20 5 FCBDMO CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000854469696 1209630056 /nfs/dbraw/zinc/63/00/56/1209630056.db2.gz AGURCISXQGVZPS-HUUCEWRRSA-N 1 1 374.397 0.338 20 5 FCBDMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861709987 1209875735 /nfs/dbraw/zinc/87/57/35/1209875735.db2.gz MOQPHWCVKSWQTO-HUUCEWRRSA-N 1 1 359.386 0.612 20 5 FCBDMO O=C(CN1CCn2cc[nH+]c21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000931524316 1211759689 /nfs/dbraw/zinc/75/96/89/1211759689.db2.gz QGOZVURSZAMPKX-UHFFFAOYSA-N 1 1 356.386 0.960 20 5 FCBDMO CC(C)(C(=O)N1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)[NH+]1CCCC1 ZINC000949228403 1212332375 /nfs/dbraw/zinc/33/23/75/1212332375.db2.gz SFLCLEGXDCRXPZ-HUUCEWRRSA-N 1 1 366.462 0.881 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001011115635 1213831613 /nfs/dbraw/zinc/83/16/13/1213831613.db2.gz OQMFTKUYPPIMLU-HZPDHXFCSA-N 1 1 364.446 0.444 20 5 FCBDMO CC1(C)CC[N@@H+](CC(=O)N2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001017446297 1214097391 /nfs/dbraw/zinc/09/73/91/1214097391.db2.gz ONKLOUCKUKHNRT-HUUCEWRRSA-N 1 1 364.446 0.658 20 5 FCBDMO CC1(C)CC[N@H+](CC(=O)N2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001017446297 1214097403 /nfs/dbraw/zinc/09/74/03/1214097403.db2.gz ONKLOUCKUKHNRT-HUUCEWRRSA-N 1 1 364.446 0.658 20 5 FCBDMO CC1(C)CC[N@@H+](CC(=O)N2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001017446297 1214097411 /nfs/dbraw/zinc/09/74/11/1214097411.db2.gz ONKLOUCKUKHNRT-HUUCEWRRSA-N 1 1 364.446 0.658 20 5 FCBDMO CC1(C)CC[N@@H+](CC(=O)N2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)C1 ZINC000961551546 1214224061 /nfs/dbraw/zinc/22/40/61/1214224061.db2.gz PSBWFUMJDMBEFO-LXTVHRRPSA-N 1 1 364.446 0.300 20 5 FCBDMO CC1(C)CC[N@H+](CC(=O)N2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)C1 ZINC000961551546 1214224064 /nfs/dbraw/zinc/22/40/64/1214224064.db2.gz PSBWFUMJDMBEFO-LXTVHRRPSA-N 1 1 364.446 0.300 20 5 FCBDMO CC1(C)CC[N@@H+](CC(=O)N2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)C1 ZINC000961551546 1214224071 /nfs/dbraw/zinc/22/40/71/1214224071.db2.gz PSBWFUMJDMBEFO-LXTVHRRPSA-N 1 1 364.446 0.300 20 5 FCBDMO Cn1c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nnc1-c1ccccc1 ZINC001020139049 1214312508 /nfs/dbraw/zinc/31/25/08/1214312508.db2.gz OHISDXKJWGFNQP-KBUPBQIOSA-N 1 1 370.413 0.884 20 5 FCBDMO Cc1cocc1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001055616372 1215891232 /nfs/dbraw/zinc/89/12/32/1215891232.db2.gz VFTZKBBVKFPCKP-UKRRQHHQSA-N 1 1 364.402 0.564 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[NH+](CCCN1CCCC1=O)CC2 ZINC001050519880 1216330478 /nfs/dbraw/zinc/33/04/78/1216330478.db2.gz LMMWJHFQIFTLLY-HUUCEWRRSA-N 1 1 364.446 0.589 20 5 FCBDMO CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)COC1CC[NH+](C)CC1 ZINC001067389009 1217397436 /nfs/dbraw/zinc/39/74/36/1217397436.db2.gz OPASGFRMBOAVAF-HUUCEWRRSA-N 1 1 370.450 0.069 20 5 FCBDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000826746713 1218904918 /nfs/dbraw/zinc/90/49/18/1218904918.db2.gz JVAKOQCUGXUHID-WBMJQRKESA-N 1 1 365.386 0.724 20 5 FCBDMO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2CC1 ZINC001074367148 1219686745 /nfs/dbraw/zinc/68/67/45/1219686745.db2.gz OPOIGFQCLJCFAF-QKPAOTATSA-N 1 1 366.462 0.690 20 5 FCBDMO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2CC1 ZINC001074367148 1219686749 /nfs/dbraw/zinc/68/67/49/1219686749.db2.gz OPOIGFQCLJCFAF-QKPAOTATSA-N 1 1 366.462 0.690 20 5 FCBDMO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2CC1 ZINC001074367148 1219686750 /nfs/dbraw/zinc/68/67/50/1219686750.db2.gz OPOIGFQCLJCFAF-QKPAOTATSA-N 1 1 366.462 0.690 20 5 FCBDMO Cc1ccncc1C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001098364382 1219766657 /nfs/dbraw/zinc/76/66/57/1219766657.db2.gz RTZGYLJZMNECGB-IAGOWNOFSA-N 1 1 362.430 0.841 20 5 FCBDMO Cc1ccncc1C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098364382 1219766661 /nfs/dbraw/zinc/76/66/61/1219766661.db2.gz RTZGYLJZMNECGB-IAGOWNOFSA-N 1 1 362.430 0.841 20 5 FCBDMO Cc1ccncc1C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098364382 1219766665 /nfs/dbraw/zinc/76/66/65/1219766665.db2.gz RTZGYLJZMNECGB-IAGOWNOFSA-N 1 1 362.430 0.841 20 5 FCBDMO COCCCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001115530700 1221311743 /nfs/dbraw/zinc/31/17/43/1221311743.db2.gz MHUZCGPXQLQRQN-ZIAGYGMSSA-N 1 1 370.450 0.213 20 5 FCBDMO C[C@@H](CCN1CCN(C)CC1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001120588713 1222106133 /nfs/dbraw/zinc/10/61/33/1222106133.db2.gz CMYRYFISOZUOLS-JKSUJKDBSA-N 1 1 366.462 0.950 20 5 FCBDMO CCN(C(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)C1CC1 ZINC001121087322 1222147104 /nfs/dbraw/zinc/14/71/04/1222147104.db2.gz DREYGJQDZBSYTQ-KEXGVCKDSA-N 1 1 364.446 0.680 20 5 FCBDMO O=[N+]([O-])Cc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1Cc1ccccc1 ZINC001122149137 1222244606 /nfs/dbraw/zinc/24/46/06/1222244606.db2.gz XPBNTQWOSFXTPE-HNNXBMFYSA-N 1 1 358.402 0.624 20 5 FCBDMO O=[N+]([O-])Cc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1Cc1ccccc1 ZINC001122149137 1222244613 /nfs/dbraw/zinc/24/46/13/1222244613.db2.gz XPBNTQWOSFXTPE-HNNXBMFYSA-N 1 1 358.402 0.624 20 5 FCBDMO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)CC1 ZINC001154893523 1223020558 /nfs/dbraw/zinc/02/05/58/1223020558.db2.gz ANCPKUDXLHDRJU-AWEZNQCLSA-N 1 1 373.413 0.978 20 5 FCBDMO CCN(Cc1ccccc1)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775680 1223082406 /nfs/dbraw/zinc/08/24/06/1223082406.db2.gz WDWXXYSRUCAEAE-HZPDHXFCSA-N 1 1 362.430 0.796 20 5 FCBDMO CN(CC1CC1)C(=O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160097455 1223145201 /nfs/dbraw/zinc/14/52/01/1223145201.db2.gz JVVKWWFGBYGYJR-HZPDHXFCSA-N 1 1 364.446 0.658 20 5 FCBDMO CN(CC1CC1)C(=O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160097455 1223145204 /nfs/dbraw/zinc/14/52/04/1223145204.db2.gz JVVKWWFGBYGYJR-HZPDHXFCSA-N 1 1 364.446 0.658 20 5 FCBDMO NC(=O)c1ccc(C[NH2+]CC2(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC001164490718 1223239262 /nfs/dbraw/zinc/23/92/62/1223239262.db2.gz TVKDSWBDBRXPOF-HUUCEWRRSA-N 1 1 360.414 0.827 20 5 FCBDMO COc1ncnc(N2CCc3[nH+]cc(Cn4cccn4)n3CC2)c1[N+](=O)[O-] ZINC001165969623 1223264289 /nfs/dbraw/zinc/26/42/89/1223264289.db2.gz MBRAXQOMLSKFND-UHFFFAOYSA-N 1 1 370.373 0.897 20 5 FCBDMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC001327974382 1265465195 /nfs/dbraw/zinc/46/51/95/1265465195.db2.gz QXCURQRVJZNCJW-ZDUSSCGKSA-N 1 1 364.402 0.820 20 5 FCBDMO C[NH+](C)CCc1ccccc1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000996313758 1251309884 /nfs/dbraw/zinc/30/98/84/1251309884.db2.gz GWHQAVNELYMMEA-HZPDHXFCSA-N 1 1 360.414 0.397 20 5 FCBDMO C[NH+](C)Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001003245783 1252818892 /nfs/dbraw/zinc/81/88/92/1252818892.db2.gz OLISHQBOYPEJRP-HZPDHXFCSA-N 1 1 360.414 0.602 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(C[NH+](CCCN3CCCC3=O)C2)CC1 ZINC001035707039 1254056681 /nfs/dbraw/zinc/05/66/81/1254056681.db2.gz MFFFEJWFQMPVQL-HUUCEWRRSA-N 1 1 364.446 0.589 20 5 FCBDMO CCC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001061064687 1254155830 /nfs/dbraw/zinc/15/58/30/1254155830.db2.gz LGJQRAPCMKBUBO-HUUCEWRRSA-N 1 1 366.462 0.835 20 5 FCBDMO CCC[N@H+](C)CCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001061064687 1254155835 /nfs/dbraw/zinc/15/58/35/1254155835.db2.gz LGJQRAPCMKBUBO-HUUCEWRRSA-N 1 1 366.462 0.835 20 5 FCBDMO 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HJBASCDLWDNFTP-AWEZNQCLSA-N 1 1 353.423 0.761 20 5 FCBDMO CCc1cc(N2CC[NH2+][C@H](C(N)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299045409 214656350 /nfs/dbraw/zinc/65/63/50/214656350.db2.gz FJIFTJFUPAHNNA-AWEZNQCLSA-N 1 1 356.386 0.878 20 5 FCBDMO C[C@H](CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000265679674 210195914 /nfs/dbraw/zinc/19/59/14/210195914.db2.gz DRYDQTSPUKTAIX-CYBMUJFWSA-N 1 1 365.386 0.871 20 5 FCBDMO C[C@@H](CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)C[NH+]1CCOCC1 ZINC000265589204 210173590 /nfs/dbraw/zinc/17/35/90/210173590.db2.gz PCJNCCJZPKGYAT-NSHDSACASA-N 1 1 358.420 0.622 20 5 FCBDMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000188076315 529958314 /nfs/dbraw/zinc/95/83/14/529958314.db2.gz NVCZJJPUPZWHDM-SFHVURJKSA-N 1 1 373.413 0.887 20 5 FCBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000265335211 210099176 /nfs/dbraw/zinc/09/91/76/210099176.db2.gz HJVNVMNNIVVVNW-LSDHHAIUSA-N 1 1 355.416 0.182 20 5 FCBDMO C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@@H+]1C ZINC000332400435 215145427 /nfs/dbraw/zinc/14/54/27/215145427.db2.gz YBJSQPIOJRLBRJ-TXEJJXNPSA-N 1 1 362.386 0.871 20 5 FCBDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000367482781 216128981 /nfs/dbraw/zinc/12/89/81/216128981.db2.gz APKRZFSSJIIBHG-CQSZACIVSA-N 1 1 370.431 0.937 20 5 FCBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000368335373 216234303 /nfs/dbraw/zinc/23/43/03/216234303.db2.gz YVLAQNSSHFSLJK-GJZGRUSLSA-N 1 1 351.403 0.741 20 5 FCBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000192694586 209302771 /nfs/dbraw/zinc/30/27/71/209302771.db2.gz KRLBTJBTRDQIAG-ZDUSSCGKSA-N 1 1 350.423 0.862 20 5 FCBDMO O=Cc1ccc(OCC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000369150137 216355506 /nfs/dbraw/zinc/35/55/06/216355506.db2.gz HMPCGBJSZYQRTK-KGLIPLIRSA-N 1 1 363.370 0.766 20 5 FCBDMO C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000369360655 216389819 /nfs/dbraw/zinc/38/98/19/216389819.db2.gz XUMJPIDOPUPOFT-CQSZACIVSA-N 1 1 368.459 0.995 20 5 FCBDMO O=C(NCC[N@H+]1CCCOCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000189442000 209252514 /nfs/dbraw/zinc/25/25/14/209252514.db2.gz OYTBEIZXMUYGOJ-UHFFFAOYSA-N 1 1 360.370 0.888 20 5 FCBDMO Cc1cc(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c(N)c([N+](=O)[O-])c1 ZINC000186601250 209192013 /nfs/dbraw/zinc/19/20/13/209192013.db2.gz XPWOMNHKYRDONT-LBPRGKRZSA-N 1 1 361.402 0.522 20 5 FCBDMO CCOc1ccc(NC(=O)C[N@H+](C[C@@H](C)O)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000276208023 212186295 /nfs/dbraw/zinc/18/62/95/212186295.db2.gz ORBCDFHOAZYZSY-NWDGAFQWSA-N 1 1 355.391 0.996 20 5 FCBDMO CCOc1ccc(NC(=O)C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000276208023 212186296 /nfs/dbraw/zinc/18/62/96/212186296.db2.gz ORBCDFHOAZYZSY-NWDGAFQWSA-N 1 1 355.391 0.996 20 5 FCBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000276083605 212155902 /nfs/dbraw/zinc/15/59/02/212155902.db2.gz GPQVPWMGNRCJQR-LLVKDONJSA-N 1 1 371.415 0.954 20 5 FCBDMO Cc1ccc(NC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)cc1[N+](=O)[O-] ZINC000275945022 212124307 /nfs/dbraw/zinc/12/43/07/212124307.db2.gz PDSJGCVHDGWGQQ-UHFFFAOYSA-N 1 1 360.374 0.958 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000275822969 212097788 /nfs/dbraw/zinc/09/77/88/212097788.db2.gz AHPOJFLWOHVKCP-UHFFFAOYSA-N 1 1 360.374 0.958 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000275598610 212058349 /nfs/dbraw/zinc/05/83/49/212058349.db2.gz HTFHMGCBHJTUTB-UHFFFAOYSA-N 1 1 365.390 0.889 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000275439756 212028283 /nfs/dbraw/zinc/02/82/83/212028283.db2.gz IYQGFCGUCSGJAZ-OLZOCXBDSA-N 1 1 366.418 0.929 20 5 FCBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000184339785 209161702 /nfs/dbraw/zinc/16/17/02/209161702.db2.gz LVPUQDCUZAYITC-UHFFFAOYSA-N 1 1 351.812 0.841 20 5 FCBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000184342275 209162313 /nfs/dbraw/zinc/16/23/13/209162313.db2.gz HVHLJXXOBLULHE-UHFFFAOYSA-N 1 1 351.812 0.841 20 5 FCBDMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)O1 ZINC000374567711 217143227 /nfs/dbraw/zinc/14/32/27/217143227.db2.gz YXGYCCOKPCKXSD-ATGSNQNLSA-N 1 1 365.386 0.940 20 5 FCBDMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)O1 ZINC000374567711 217143231 /nfs/dbraw/zinc/14/32/31/217143231.db2.gz YXGYCCOKPCKXSD-ATGSNQNLSA-N 1 1 365.386 0.940 20 5 FCBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000374807481 217177320 /nfs/dbraw/zinc/17/73/20/217177320.db2.gz BIJIIPHTNVYZSH-HIFRSBDPSA-N 1 1 352.366 0.987 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000183425879 209146903 /nfs/dbraw/zinc/14/69/03/209146903.db2.gz JGQCBDPOGUMFHT-INIZCTEOSA-N 1 1 373.413 0.983 20 5 FCBDMO O=C(CC[N@@H+]1CCN2C(=O)NC[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181737394 209122555 /nfs/dbraw/zinc/12/25/55/209122555.db2.gz WFVVZJIVYARABD-NSHDSACASA-N 1 1 351.338 0.772 20 5 FCBDMO O=C(CC[N@H+]1CCN2C(=O)NC[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181737394 209122560 /nfs/dbraw/zinc/12/25/60/209122560.db2.gz WFVVZJIVYARABD-NSHDSACASA-N 1 1 351.338 0.772 20 5 FCBDMO COc1cccc(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1[N+](=O)[O-] ZINC000423554846 247049450 /nfs/dbraw/zinc/04/94/50/247049450.db2.gz XDZMPBWFELWCLO-GFCCVEGCSA-N 1 1 362.386 0.640 20 5 FCBDMO Cn1cc([C@@H]2CN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C[C@H]2[NH3+])cn1 ZINC000424229467 247181225 /nfs/dbraw/zinc/18/12/25/247181225.db2.gz XGUAESMZJHRHFI-QWHCGFSZSA-N 1 1 355.358 0.772 20 5 FCBDMO COC(=O)CNC(=O)CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440504433 248191406 /nfs/dbraw/zinc/19/14/06/248191406.db2.gz WVUSDGNQEKACRF-LLVKDONJSA-N 1 1 351.363 0.155 20 5 FCBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000452348697 249309135 /nfs/dbraw/zinc/30/91/35/249309135.db2.gz LPBDCIKVXZKLRG-AWEZNQCLSA-N 1 1 374.401 0.752 20 5 FCBDMO CCC[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1CCOC ZINC000271026846 211319630 /nfs/dbraw/zinc/31/96/30/211319630.db2.gz ZZAPJUCLHSGNSC-AWEZNQCLSA-N 1 1 366.418 0.716 20 5 FCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000270889451 211292889 /nfs/dbraw/zinc/29/28/89/211292889.db2.gz QAWDVDYDEFVAQA-WBVHZDCISA-N 1 1 373.413 0.791 20 5 FCBDMO COC(=O)COc1ccc(CNC[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000473997038 250260982 /nfs/dbraw/zinc/26/09/82/250260982.db2.gz TZKQWXVSDFNHRD-MRXNPFEDSA-N 1 1 353.375 0.303 20 5 FCBDMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266510219 210347777 /nfs/dbraw/zinc/34/77/77/210347777.db2.gz DNKBJZQQUWSGDD-DGCLKSJQSA-N 1 1 355.395 0.751 20 5 FCBDMO COc1cc(C[NH2+]C(CO)CO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000266157155 210294685 /nfs/dbraw/zinc/29/46/85/210294685.db2.gz MLMLQOVPBHQVGH-UHFFFAOYSA-N 1 1 354.281 0.987 20 5 FCBDMO COC(=O)[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000411921835 533489082 /nfs/dbraw/zinc/48/90/82/533489082.db2.gz SMWBUENJOFTYDR-ZDUSSCGKSA-N 1 1 350.375 0.230 20 5 FCBDMO O=C(NCC1CC1)[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173534466 229209976 /nfs/dbraw/zinc/20/99/76/229209976.db2.gz MNSJLAQZXSUTFB-DZGCQCFKSA-N 1 1 351.407 0.390 20 5 FCBDMO Cc1cc(CN2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)no1 ZINC000174708070 229212449 /nfs/dbraw/zinc/21/24/49/229212449.db2.gz RAWLRVQXSTVVHB-HNNXBMFYSA-N 1 1 350.379 0.266 20 5 FCBDMO CCN1CC[NH+](CCCNC(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000299665838 488865002 /nfs/dbraw/zinc/86/50/02/488865002.db2.gz XFOLBHYVQZLOKN-UHFFFAOYSA-N 1 1 352.439 0.634 20 5 FCBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000278362885 488870676 /nfs/dbraw/zinc/87/06/76/488870676.db2.gz JNWPGOALIMPZEK-PHIMTYICSA-N 1 1 369.399 0.564 20 5 FCBDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000278422829 488874268 /nfs/dbraw/zinc/87/42/68/488874268.db2.gz ZKNNAQSOCPYWHL-IAOVAPTHSA-N 1 1 354.403 0.974 20 5 FCBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000363691742 488875024 /nfs/dbraw/zinc/87/50/24/488875024.db2.gz LDZMLZFNDWBYAG-RYUDHWBXSA-N 1 1 363.370 0.959 20 5 FCBDMO CC[N@@H+]1CCN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000288212140 488956901 /nfs/dbraw/zinc/95/69/01/488956901.db2.gz CKNBJBOKLOOMDW-JTQLQIEISA-N 1 1 370.431 0.717 20 5 FCBDMO CC[N@H+]1CCN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000288212140 488956904 /nfs/dbraw/zinc/95/69/04/488956904.db2.gz CKNBJBOKLOOMDW-JTQLQIEISA-N 1 1 370.431 0.717 20 5 FCBDMO CNC(=O)C[NH+]1CCC(NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000025227263 487660482 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20 5 FCBDMO C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000451671932 489516665 /nfs/dbraw/zinc/51/66/65/489516665.db2.gz ZXWLGXDMHOOYPX-IJEWVQPXSA-N 1 1 353.419 0.721 20 5 FCBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)N1CCO ZINC000451671932 489516666 /nfs/dbraw/zinc/51/66/66/489516666.db2.gz ZXWLGXDMHOOYPX-IJEWVQPXSA-N 1 1 353.419 0.721 20 5 FCBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)N1CCO ZINC000451671932 489516668 /nfs/dbraw/zinc/51/66/68/489516668.db2.gz ZXWLGXDMHOOYPX-IJEWVQPXSA-N 1 1 353.419 0.721 20 5 FCBDMO CCN1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000454731678 489576833 /nfs/dbraw/zinc/57/68/33/489576833.db2.gz ZVGBYCKQJVNMJY-UHFFFAOYSA-N 1 1 350.423 0.789 20 5 FCBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000426781281 489582341 /nfs/dbraw/zinc/58/23/41/489582341.db2.gz ZYXHCFRISGUYDD-JTQLQIEISA-N 1 1 358.420 0.701 20 5 FCBDMO CNc1nc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000455337632 489590741 /nfs/dbraw/zinc/59/07/41/489590741.db2.gz RCKKMCMUZIPHML-NSHDSACASA-N 1 1 364.406 0.349 20 5 FCBDMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC[N@@H+]1C[C@H](C)O ZINC000455784554 489600017 /nfs/dbraw/zinc/60/00/17/489600017.db2.gz IJGJQTIDYJHOPF-NWDGAFQWSA-N 1 1 351.407 0.949 20 5 FCBDMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC[N@H+]1C[C@H](C)O ZINC000455784554 489600019 /nfs/dbraw/zinc/60/00/19/489600019.db2.gz IJGJQTIDYJHOPF-NWDGAFQWSA-N 1 1 351.407 0.949 20 5 FCBDMO CNc1nc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456009186 489604644 /nfs/dbraw/zinc/60/46/44/489604644.db2.gz DUZIMOYOMRMROW-NSHDSACASA-N 1 1 351.407 0.949 20 5 FCBDMO COC(=O)c1cc(C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000456226603 489612093 /nfs/dbraw/zinc/61/20/93/489612093.db2.gz OUJNOURLVLBRRE-TXEJJXNPSA-N 1 1 365.386 0.909 20 5 FCBDMO COC(=O)c1cc(C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000456226603 489612095 /nfs/dbraw/zinc/61/20/95/489612095.db2.gz OUJNOURLVLBRRE-TXEJJXNPSA-N 1 1 365.386 0.909 20 5 FCBDMO COc1c(F)cc(S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000493896656 489862389 /nfs/dbraw/zinc/86/23/89/489862389.db2.gz IFXGTRXHTXGSPX-CYBMUJFWSA-N 1 1 363.367 0.087 20 5 FCBDMO CCOc1ccc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000434321027 489922275 /nfs/dbraw/zinc/92/22/75/489922275.db2.gz IZRRCXQDGNQBHE-QGZVFWFLSA-N 1 1 367.402 0.807 20 5 FCBDMO COc1ccc(OCCN2CC[C@@H](N3CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC000420349355 489966350 /nfs/dbraw/zinc/96/63/50/489966350.db2.gz OPGUYYUATOFQDB-CQSZACIVSA-N 1 1 350.419 0.962 20 5 FCBDMO C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[N@@H+]1CCc2sccc2C1 ZINC000477455690 489966885 /nfs/dbraw/zinc/96/68/85/489966885.db2.gz CSKONFGWMNUVHP-JTQLQIEISA-N 1 1 350.404 0.811 20 5 FCBDMO C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[N@H+]1CCc2sccc2C1 ZINC000477455690 489966887 /nfs/dbraw/zinc/96/68/87/489966887.db2.gz CSKONFGWMNUVHP-JTQLQIEISA-N 1 1 350.404 0.811 20 5 FCBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CN1CCOCC1 ZINC000435003849 489973524 /nfs/dbraw/zinc/97/35/24/489973524.db2.gz OEWGKGQDJDNJLF-MRXNPFEDSA-N 1 1 366.418 0.548 20 5 FCBDMO NC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC[NH2+]1 ZINC000462446072 489975678 /nfs/dbraw/zinc/97/56/78/489975678.db2.gz OSCVOPZGMWRUFV-CYBMUJFWSA-N 1 1 357.370 0.832 20 5 FCBDMO CNc1c(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000462978800 489998526 /nfs/dbraw/zinc/99/85/26/489998526.db2.gz ABKYUUGXXGMEOS-UHFFFAOYSA-N 1 1 363.418 0.919 20 5 FCBDMO CNc1c(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000462984135 489998942 /nfs/dbraw/zinc/99/89/42/489998942.db2.gz AMDVGOBGVYXKMG-GFCCVEGCSA-N 1 1 363.418 0.954 20 5 FCBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCc1cn[nH]c1 ZINC000420979075 490038696 /nfs/dbraw/zinc/03/86/96/490038696.db2.gz YRZXEEPONCNSMD-UHFFFAOYSA-N 1 1 353.404 0.771 20 5 FCBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCc1cn[nH]c1 ZINC000420979075 490038697 /nfs/dbraw/zinc/03/86/97/490038697.db2.gz YRZXEEPONCNSMD-UHFFFAOYSA-N 1 1 353.404 0.771 20 5 FCBDMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000378321718 490049154 /nfs/dbraw/zinc/04/91/54/490049154.db2.gz UKAAVDUVLWBCRF-ZFWWWQNUSA-N 1 1 360.418 0.393 20 5 FCBDMO COCCC[N@@H+](C)CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465108405 490082302 /nfs/dbraw/zinc/08/23/02/490082302.db2.gz CMASXBFLVQQIHP-UHFFFAOYSA-N 1 1 367.402 0.993 20 5 FCBDMO C[C@@](O)(CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000465749465 490142372 /nfs/dbraw/zinc/14/23/72/490142372.db2.gz HDZMCTACZQSOMK-QGZVFWFLSA-N 1 1 366.418 0.520 20 5 FCBDMO C[C@](O)(CNC(=O)NCCc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000466137827 490168254 /nfs/dbraw/zinc/16/82/54/490168254.db2.gz BZHOHJWUIUCUEM-KRWDZBQOSA-N 1 1 366.418 0.520 20 5 FCBDMO C[N@H+]1CC[C@H](CNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000521114952 490226879 /nfs/dbraw/zinc/22/68/79/490226879.db2.gz OQJWSJGSJLHLMI-SNVBAGLBSA-N 1 1 352.416 0.854 20 5 FCBDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000546776972 490243424 /nfs/dbraw/zinc/24/34/24/490243424.db2.gz XSRZLFJPIIXDTG-UHFFFAOYSA-N 1 1 358.464 0.850 20 5 FCBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](S(N)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000533845016 490291947 /nfs/dbraw/zinc/29/19/47/490291947.db2.gz SRIZWPDYUSNPDZ-NSHDSACASA-N 1 1 372.403 0.295 20 5 FCBDMO CC(C)[N@@H+](C)CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000498577726 490314419 /nfs/dbraw/zinc/31/44/19/490314419.db2.gz PGQOJDLTRWHSQJ-UHFFFAOYSA-N 1 1 372.447 0.720 20 5 FCBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000467712478 490333413 /nfs/dbraw/zinc/33/34/13/490333413.db2.gz ZQWOIDKGYQCYAO-SMDDNHRTSA-N 1 1 374.397 0.919 20 5 FCBDMO CC[N@@H+](C)CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000498741065 490333727 /nfs/dbraw/zinc/33/37/27/490333727.db2.gz RVFHFKPLJUJYIG-UHFFFAOYSA-N 1 1 358.420 0.331 20 5 FCBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C1 ZINC000468841267 490455369 /nfs/dbraw/zinc/45/53/69/490455369.db2.gz FIOPCNPVNDYLSJ-NSHDSACASA-N 1 1 360.370 0.930 20 5 FCBDMO CN(C)S(=O)(=O)CCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000556692675 491327969 /nfs/dbraw/zinc/32/79/69/491327969.db2.gz QCOAHKKTMYQTDL-UHFFFAOYSA-N 1 1 357.436 0.393 20 5 FCBDMO COC(=O)Cc1ccc(NC[C@@](C)(O)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000450355148 490461381 /nfs/dbraw/zinc/46/13/81/490461381.db2.gz PTKBIMOXICCJJE-QGZVFWFLSA-N 1 1 367.402 0.805 20 5 FCBDMO C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000564855651 491331534 /nfs/dbraw/zinc/33/15/34/491331534.db2.gz GCMDZFWZCHQZLX-HZPDHXFCSA-N 1 1 366.462 0.808 20 5 FCBDMO C[C@H]1CC[NH2+]CC[C@@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422980076 490510395 /nfs/dbraw/zinc/51/03/95/490510395.db2.gz 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FCBDMO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423041640 490528741 /nfs/dbraw/zinc/52/87/41/490528741.db2.gz XLSRKGHDEYBKOU-KBPBESRZSA-N 1 1 371.415 0.252 20 5 FCBDMO CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C[NH+]1CCOCC1 ZINC000414052245 490535247 /nfs/dbraw/zinc/53/52/47/490535247.db2.gz PCEYXUBJLQVXJH-UHFFFAOYSA-N 1 1 352.391 0.326 20 5 FCBDMO CNc1ccc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000524419867 490536869 /nfs/dbraw/zinc/53/68/69/490536869.db2.gz DTKAAQHUQPXMIK-ZDUSSCGKSA-N 1 1 363.418 0.954 20 5 FCBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000536597663 490596687 /nfs/dbraw/zinc/59/66/87/490596687.db2.gz ACMVPPSFGBFFED-WDEREUQCSA-N 1 1 360.370 0.742 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486242322 490600262 /nfs/dbraw/zinc/60/02/62/490600262.db2.gz NFFWMELHUWICHK-AWEZNQCLSA-N 1 1 370.356 0.872 20 5 FCBDMO 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/nfs/dbraw/zinc/52/21/69/674522169.db2.gz SFORFBAZDOWFKV-ZIAGYGMSSA-N 1 1 352.435 0.633 20 5 FCBDMO C[N@H+](CC(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CCC1 ZINC000956372469 674522172 /nfs/dbraw/zinc/52/21/72/674522172.db2.gz SFORFBAZDOWFKV-ZIAGYGMSSA-N 1 1 352.435 0.633 20 5 FCBDMO C[N@@H+](CC(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CCC1 ZINC000956372469 674522173 /nfs/dbraw/zinc/52/21/73/674522173.db2.gz SFORFBAZDOWFKV-ZIAGYGMSSA-N 1 1 352.435 0.633 20 5 FCBDMO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824402429 607648105 /nfs/dbraw/zinc/64/81/05/607648105.db2.gz WMHCCNDKRZWDBW-VIFPVBQESA-N 1 1 369.407 0.393 20 5 FCBDMO C[C@@H](O)C[N@@H+](C)C1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000820481687 606707972 /nfs/dbraw/zinc/70/79/72/606707972.db2.gz YFJSBOCTFGEXBM-SNVBAGLBSA-N 1 1 362.394 0.451 20 5 FCBDMO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000823621054 607167687 /nfs/dbraw/zinc/16/76/87/607167687.db2.gz WCJBUZUCHQZLDL-GFCCVEGCSA-N 1 1 374.405 0.861 20 5 FCBDMO CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1[NH+]1CCOCC1 ZINC000820994181 607174293 /nfs/dbraw/zinc/17/42/93/607174293.db2.gz FVGJCIZKNOERMQ-FZMZJTMJSA-N 1 1 374.405 0.717 20 5 FCBDMO CN1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+](C)CC1 ZINC000888993983 664862422 /nfs/dbraw/zinc/86/24/22/664862422.db2.gz OXROQEKMJHUXQX-UHFFFAOYSA-N 1 1 354.382 0.819 20 5 FCBDMO Cc1nn(CCC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c(C)c1[N+](=O)[O-] ZINC000896565025 665095134 /nfs/dbraw/zinc/09/51/34/665095134.db2.gz UBLHOEZHBCXKSD-RISCZKNCSA-N 1 1 352.439 0.549 20 5 FCBDMO Cc1nn(CCC(=O)N[C@H](C)[C@@H]2CN(C)CCN2C)c(C)c1[N+](=O)[O-] ZINC000896565025 665095135 /nfs/dbraw/zinc/09/51/35/665095135.db2.gz UBLHOEZHBCXKSD-RISCZKNCSA-N 1 1 352.439 0.549 20 5 FCBDMO Cc1nn(CCC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c(C)c1[N+](=O)[O-] ZINC000896565025 665095137 /nfs/dbraw/zinc/09/51/37/665095137.db2.gz UBLHOEZHBCXKSD-RISCZKNCSA-N 1 1 352.439 0.549 20 5 FCBDMO Cc1nn(CCC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)c(C)c1[N+](=O)[O-] ZINC000896565025 665095139 /nfs/dbraw/zinc/09/51/39/665095139.db2.gz UBLHOEZHBCXKSD-RISCZKNCSA-N 1 1 352.439 0.549 20 5 FCBDMO Cc1nc(C)n(CC[N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000985426557 665166253 /nfs/dbraw/zinc/16/62/53/665166253.db2.gz SIYVFZQTDGCGSV-HUUCEWRRSA-N 1 1 350.423 0.483 20 5 FCBDMO Cc1nc(C)n(CC[N@@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000985426557 665166255 /nfs/dbraw/zinc/16/62/55/665166255.db2.gz SIYVFZQTDGCGSV-HUUCEWRRSA-N 1 1 350.423 0.483 20 5 FCBDMO Cc1nc(C)n(CC[N@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000985426557 665166256 /nfs/dbraw/zinc/16/62/56/665166256.db2.gz SIYVFZQTDGCGSV-HUUCEWRRSA-N 1 1 350.423 0.483 20 5 FCBDMO C[NH+](C)C1(C(=O)N2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CCC1 ZINC001017445148 674694076 /nfs/dbraw/zinc/69/40/76/674694076.db2.gz FKYPKDHJLUBXIG-ZIAGYGMSSA-N 1 1 350.419 0.411 20 5 FCBDMO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000732050075 666853065 /nfs/dbraw/zinc/85/30/65/666853065.db2.gz LENABOXDKHVGPQ-GFCCVEGCSA-N 1 1 353.379 0.961 20 5 FCBDMO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000732050075 666853070 /nfs/dbraw/zinc/85/30/70/666853070.db2.gz LENABOXDKHVGPQ-GFCCVEGCSA-N 1 1 353.379 0.961 20 5 FCBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000919999127 667216711 /nfs/dbraw/zinc/21/67/11/667216711.db2.gz FAJRIRYABZOYHW-BXUZGUMPSA-N 1 1 374.438 0.955 20 5 FCBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000919999127 667216712 /nfs/dbraw/zinc/21/67/12/667216712.db2.gz FAJRIRYABZOYHW-BXUZGUMPSA-N 1 1 374.438 0.955 20 5 FCBDMO C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000920022517 667220672 /nfs/dbraw/zinc/22/06/72/667220672.db2.gz XACDNLZGIBFSCI-WFASDCNBSA-N 1 1 356.448 0.649 20 5 FCBDMO C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000920022517 667220675 /nfs/dbraw/zinc/22/06/75/667220675.db2.gz XACDNLZGIBFSCI-WFASDCNBSA-N 1 1 356.448 0.649 20 5 FCBDMO C[C@@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000754361850 667593867 /nfs/dbraw/zinc/59/38/67/667593867.db2.gz YLKNHTWNNPFVHH-SNVBAGLBSA-N 1 1 352.366 0.903 20 5 FCBDMO CS(=O)(=O)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035186693 667775206 /nfs/dbraw/zinc/77/52/06/667775206.db2.gz JPPOXRBSQPSHBL-CHWSQXEVSA-N 1 1 359.448 0.011 20 5 FCBDMO COC(=O)CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCOCC1 ZINC000761666416 667893298 /nfs/dbraw/zinc/89/32/98/667893298.db2.gz IICALWRIMQDAHV-UHFFFAOYSA-N 1 1 353.375 0.801 20 5 FCBDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000773960214 668115137 /nfs/dbraw/zinc/11/51/37/668115137.db2.gz DZXXXKDQFWPSIL-KBRIMQKVSA-N 1 1 354.403 0.974 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819005248 668969832 /nfs/dbraw/zinc/96/98/32/668969832.db2.gz ZLNBJPPOOQTGOX-HOCLYGCPSA-N 1 1 350.419 0.805 20 5 FCBDMO CC(C)(CCC(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1)[N+](=O)[O-] ZINC000823298490 669333058 /nfs/dbraw/zinc/33/30/58/669333058.db2.gz UHOXNWGKVXHIKS-UHFFFAOYSA-N 1 1 354.451 0.979 20 5 FCBDMO CC(C)(CCC(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)[N+](=O)[O-] ZINC000823298490 669333065 /nfs/dbraw/zinc/33/30/65/669333065.db2.gz UHOXNWGKVXHIKS-UHFFFAOYSA-N 1 1 354.451 0.979 20 5 FCBDMO C[C@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000830593719 669795392 /nfs/dbraw/zinc/79/53/92/669795392.db2.gz GBGXWUVGVGNHCJ-SWLSCSKDSA-N 1 1 351.403 0.932 20 5 FCBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000843797135 670856709 /nfs/dbraw/zinc/85/67/09/670856709.db2.gz STAMMBRBEGFBPD-UHFFFAOYSA-N 1 1 352.366 0.936 20 5 FCBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000848786720 671295364 /nfs/dbraw/zinc/29/53/64/671295364.db2.gz LWDJLQXEADBEGW-JTQLQIEISA-N 1 1 351.363 0.281 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000861201608 671949184 /nfs/dbraw/zinc/94/91/84/671949184.db2.gz ATXWSQNTPRTFDL-LBPRGKRZSA-N 1 1 350.379 0.638 20 5 FCBDMO CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]2C1 ZINC001055331311 676016368 /nfs/dbraw/zinc/01/63/68/676016368.db2.gz BRNBKZONVXDQHR-LXTVHRRPSA-N 1 1 352.435 0.300 20 5 FCBDMO CCC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2C1 ZINC001055331311 676016370 /nfs/dbraw/zinc/01/63/70/676016370.db2.gz BRNBKZONVXDQHR-LXTVHRRPSA-N 1 1 352.435 0.300 20 5 FCBDMO CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2C1 ZINC001055331311 676016372 /nfs/dbraw/zinc/01/63/72/676016372.db2.gz BRNBKZONVXDQHR-LXTVHRRPSA-N 1 1 352.435 0.300 20 5 FCBDMO CC/C(C)=C/C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055571611 676024470 /nfs/dbraw/zinc/02/44/70/676024470.db2.gz IBQFNRXCIPOHME-CFXNXBPSSA-N 1 1 352.435 0.705 20 5 FCBDMO CCC(C)(C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575294 676025127 /nfs/dbraw/zinc/02/51/27/676025127.db2.gz QTFKTJOGTUEFBZ-ZIAGYGMSSA-N 1 1 354.451 0.785 20 5 FCBDMO CC(C)(CCC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[N+](=O)[O-] ZINC000882636742 673330366 /nfs/dbraw/zinc/33/03/66/673330366.db2.gz WKRICIXBJXNCEQ-OAHLLOKOSA-N 1 1 356.467 0.735 20 5 FCBDMO O=C(C[NH+]1CCCC1)NC1CC2(C1)CC(NC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001014000830 675387712 /nfs/dbraw/zinc/38/77/12/675387712.db2.gz PFCZLPKGIVMKBD-FZOOGMQUSA-N 1 1 350.419 0.291 20 5 FCBDMO CN(CC[NH2+]CC(=O)Nc1cc(F)cc(F)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001691316741 1171082642 /nfs/dbraw/zinc/08/26/42/1171082642.db2.gz AUDWNDNZBUXKON-CHWSQXEVSA-N 1 1 356.329 0.617 20 5 FCBDMO O=C(NCc1nc(C[NH2+]CC2CC(F)(F)C2)cc(=O)[nH]1)[C@@H]1CC1[N+](=O)[O-] ZINC001087256667 1180332667 /nfs/dbraw/zinc/33/26/67/1180332667.db2.gz FEPVNBIAKWLISP-GHMZBOCLSA-N 1 1 371.344 0.599 20 5 FCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025777583 1182824764 /nfs/dbraw/zinc/82/47/64/1182824764.db2.gz NPPCKMNKBNXANJ-QFXBJFAPSA-N 1 1 357.410 0.876 20 5 FCBDMO O=C(N[C@@H]1[C@H]2C[N@H+](CCc3ccc4c(c3)CCO4)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025777583 1182824765 /nfs/dbraw/zinc/82/47/65/1182824765.db2.gz NPPCKMNKBNXANJ-QFXBJFAPSA-N 1 1 357.410 0.876 20 5 FCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025777583 1182824767 /nfs/dbraw/zinc/82/47/67/1182824767.db2.gz NPPCKMNKBNXANJ-QFXBJFAPSA-N 1 1 357.410 0.876 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC(n2cc(C[NH2+]CCCC3CCC3)nn2)C1 ZINC001105235457 1183149947 /nfs/dbraw/zinc/14/99/47/1183149947.db2.gz GDMWRBWTJPRAIJ-HZPDHXFCSA-N 1 1 362.434 0.997 20 5 FCBDMO CN(C(=O)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1)C1CC1 ZINC000982278594 1186694781 /nfs/dbraw/zinc/69/47/81/1186694781.db2.gz KLFIMBWDCUJVHD-DTDBQYNISA-N 1 1 364.446 0.443 20 5 FCBDMO CN(C(=O)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]2(C)C1)C1CC1 ZINC000982278594 1186694786 /nfs/dbraw/zinc/69/47/86/1186694786.db2.gz KLFIMBWDCUJVHD-DTDBQYNISA-N 1 1 364.446 0.443 20 5 FCBDMO CN(C(=O)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]2(C)C1)C1CC1 ZINC000982278594 1186694789 /nfs/dbraw/zinc/69/47/89/1186694789.db2.gz KLFIMBWDCUJVHD-DTDBQYNISA-N 1 1 364.446 0.443 20 5 FCBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cnn(-c3ccccc3)n2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983658459 1188250168 /nfs/dbraw/zinc/25/01/68/1188250168.db2.gz WTEOVSUCFYYTEY-BQGCOEIASA-N 1 1 370.413 0.917 20 5 FCBDMO C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1C[N@@H+](C)CCN1C ZINC000896580389 1190102461 /nfs/dbraw/zinc/10/24/61/1190102461.db2.gz IBJUXAYRJKXSCP-SMDDNHRTSA-N 1 1 364.402 0.730 20 5 FCBDMO O=C(NCC[NH2+]Cc1ccn(CCc2ccccc2)n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936584 1194607555 /nfs/dbraw/zinc/60/75/55/1194607555.db2.gz MEBMHJIKJDKFJF-IAGOWNOFSA-N 1 1 357.414 0.997 20 5 FCBDMO COC(=O)c1cn([C@@H]2CC[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000760878168 1196525695 /nfs/dbraw/zinc/52/56/95/1196525695.db2.gz BFCJUTCIMPKRMD-UKRRQHHQSA-N 1 1 361.358 0.953 20 5 FCBDMO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593855002 1196826990 /nfs/dbraw/zinc/82/69/90/1196826990.db2.gz ODWDVOIKHYFBMA-OAHLLOKOSA-N 1 1 357.370 0.672 20 5 FCBDMO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593855002 1196826994 /nfs/dbraw/zinc/82/69/94/1196826994.db2.gz ODWDVOIKHYFBMA-OAHLLOKOSA-N 1 1 357.370 0.672 20 5 FCBDMO O=C(C[NH2+][C@@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)N1CCCCCCC1 ZINC001086084565 1198143494 /nfs/dbraw/zinc/14/34/94/1198143494.db2.gz VXZMUYXYXBIIJC-QKPAOTATSA-N 1 1 366.462 0.929 20 5 FCBDMO COCCNC(=O)[C@H]1Cn2nccc2C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169021416 1199044389 /nfs/dbraw/zinc/04/43/89/1199044389.db2.gz NRXPOJFFOPDWJH-ZNMIVQPWSA-N 1 1 365.434 0.523 20 5 FCBDMO COCCNC(=O)[C@H]1Cn2nccc2C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169021416 1199044398 /nfs/dbraw/zinc/04/43/98/1199044398.db2.gz NRXPOJFFOPDWJH-ZNMIVQPWSA-N 1 1 365.434 0.523 20 5 FCBDMO Cn1cccc1C(=O)N[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H]2COC[C@H]12 ZINC001169023693 1199044980 /nfs/dbraw/zinc/04/49/80/1199044980.db2.gz PPIIMPCLROBGRA-DRXUAVOGSA-N 1 1 362.430 0.900 20 5 FCBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)cc1[N+](=O)[O-] ZINC000814173862 1203014442 /nfs/dbraw/zinc/01/44/42/1203014442.db2.gz ZBMBCYQRURUHDX-ATCWAGBWSA-N 1 1 364.354 0.997 20 5 FCBDMO COC(=O)COc1ccc(C[N@@H+]2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)cc1[N+](=O)[O-] ZINC000814173862 1203014444 /nfs/dbraw/zinc/01/44/44/1203014444.db2.gz ZBMBCYQRURUHDX-ATCWAGBWSA-N 1 1 364.354 0.997 20 5 FCBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823985935 1203280770 /nfs/dbraw/zinc/28/07/70/1203280770.db2.gz FJAHRGPKXARPNP-UHFFFAOYSA-N 1 1 364.406 0.851 20 5 FCBDMO CC(=O)N1CC(=O)NC[C@@]12CC[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173223236 1206266489 /nfs/dbraw/zinc/26/64/89/1206266489.db2.gz AHHXUUVHHWMQNY-SCLBCKFNSA-N 1 1 360.414 0.949 20 5 FCBDMO Cn1cc(C[NH2+]CCCN(CC2CCCC2)C(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001177314045 1206335288 /nfs/dbraw/zinc/33/52/88/1206335288.db2.gz YFVAUWCUUHMVBM-HZPDHXFCSA-N 1 1 364.450 0.979 20 5 FCBDMO C[C@@]1(C(N)=O)CC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000794701841 1209961004 /nfs/dbraw/zinc/96/10/04/1209961004.db2.gz DASAMRVJXSEEHJ-MRXNPFEDSA-N 1 1 361.358 0.518 20 5 FCBDMO C[C@@]1(C(N)=O)CC[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000794701841 1209961006 /nfs/dbraw/zinc/96/10/06/1209961006.db2.gz DASAMRVJXSEEHJ-MRXNPFEDSA-N 1 1 361.358 0.518 20 5 FCBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000363197489 1211290271 /nfs/dbraw/zinc/29/02/71/1211290271.db2.gz OKRILMSKGCLGHA-KBPBESRZSA-N 1 1 372.385 0.769 20 5 FCBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000953928826 1213025090 /nfs/dbraw/zinc/02/50/90/1213025090.db2.gz LOXKIGHIHYVKJL-HZPDHXFCSA-N 1 1 366.462 0.977 20 5 FCBDMO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC000954240996 1213051062 /nfs/dbraw/zinc/05/10/62/1213051062.db2.gz FUMFJRLFYXSVSF-HUUCEWRRSA-N 1 1 366.462 0.974 20 5 FCBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC000954240996 1213051064 /nfs/dbraw/zinc/05/10/64/1213051064.db2.gz FUMFJRLFYXSVSF-HUUCEWRRSA-N 1 1 366.462 0.974 20 5 FCBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC000954240996 1213051068 /nfs/dbraw/zinc/05/10/68/1213051068.db2.gz FUMFJRLFYXSVSF-HUUCEWRRSA-N 1 1 366.462 0.974 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001010652342 1213806046 /nfs/dbraw/zinc/80/60/46/1213806046.db2.gz IDELUWMLBYQHEP-ZIAGYGMSSA-N 1 1 362.430 0.198 20 5 FCBDMO C[NH+]1CCC(CC(=O)N2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)CC1 ZINC001019015158 1214179621 /nfs/dbraw/zinc/17/96/21/1214179621.db2.gz KQNGUGZSPSYDMA-HUUCEWRRSA-N 1 1 364.446 0.444 20 5 FCBDMO CN(C)C(=O)c1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001020139572 1214314239 /nfs/dbraw/zinc/31/42/39/1214314239.db2.gz GGQCUCXILPCTTM-KLHDSHLOSA-N 1 1 360.414 0.790 20 5 FCBDMO CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001069487430 1216792019 /nfs/dbraw/zinc/79/20/19/1216792019.db2.gz SJLFQOVLJJXLTI-ZIAGYGMSSA-N 1 1 364.446 0.635 20 5 FCBDMO CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC001045436435 1217927806 /nfs/dbraw/zinc/92/78/06/1217927806.db2.gz RPQDSSVPQOLXCY-HUUCEWRRSA-N 1 1 360.414 0.921 20 5 FCBDMO CCn1nncc1C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001048608599 1218295481 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/nfs/dbraw/zinc/08/34/23/1219083423.db2.gz BUEPMCCYGGEVEL-HZPDHXFCSA-N 1 1 364.446 0.849 20 5 FCBDMO O=C(NCC[NH+]1CCC(NC(=O)C2(F)CCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001055574891 1219084077 /nfs/dbraw/zinc/08/40/77/1219084077.db2.gz CFYDOUFKWFTCDA-ZIAGYGMSSA-N 1 1 370.425 0.631 20 5 FCBDMO O=C(CCCC1CC1)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575901 1219084607 /nfs/dbraw/zinc/08/46/07/1219084607.db2.gz PFQDAIKJXIAFGW-HZPDHXFCSA-N 1 1 366.462 0.929 20 5 FCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(=O)NCC[N@H+](CCCC2CCC2)CC1 ZINC001070963142 1219584486 /nfs/dbraw/zinc/58/44/86/1219584486.db2.gz CXUDYIYORBTERD-HZPDHXFCSA-N 1 1 366.462 0.882 20 5 FCBDMO C[NH+](C)CCCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC001074330660 1219685930 /nfs/dbraw/zinc/68/59/30/1219685930.db2.gz LLSYIIXQWHNNFR-QKPAOTATSA-N 1 1 366.462 0.690 20 5 FCBDMO CCN(C)C(=O)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001101540806 1220378052 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UNAYZBNKTJYEEV-MLGOLLRUSA-N 1 1 365.386 0.724 20 5 FCBDMO COC(=O)CC[N@H+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000828499299 1222407040 /nfs/dbraw/zinc/40/70/40/1222407040.db2.gz UNAYZBNKTJYEEV-MLGOLLRUSA-N 1 1 365.386 0.724 20 5 FCBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000830457732 1222473928 /nfs/dbraw/zinc/47/39/28/1222473928.db2.gz WPFAOGCDUYHLAB-CYBMUJFWSA-N 1 1 370.406 0.574 20 5 FCBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000830866313 1222484554 /nfs/dbraw/zinc/48/45/54/1222484554.db2.gz XCSRRZXTKGYXSK-ZYHUDNBSSA-N 1 1 369.349 0.918 20 5 FCBDMO CNC(=O)[C@]1(C)CC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840061025 1222768356 /nfs/dbraw/zinc/76/83/56/1222768356.db2.gz CFOWSBXUKHZRJB-DOTOQJQBSA-N 1 1 362.386 0.948 20 5 FCBDMO CNC(=O)[C@]1(C)CC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840061025 1222768360 /nfs/dbraw/zinc/76/83/60/1222768360.db2.gz CFOWSBXUKHZRJB-DOTOQJQBSA-N 1 1 362.386 0.948 20 5 FCBDMO CNC(=O)[C@@]1(C)CC[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840061040 1222768771 /nfs/dbraw/zinc/76/87/71/1222768771.db2.gz CFOWSBXUKHZRJB-WBVHZDCISA-N 1 1 362.386 0.948 20 5 FCBDMO CNC(=O)[C@@]1(C)CC[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840061040 1222768777 /nfs/dbraw/zinc/76/87/77/1222768777.db2.gz CFOWSBXUKHZRJB-WBVHZDCISA-N 1 1 362.386 0.948 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@H+](C)C1 ZINC000840502252 1222789929 /nfs/dbraw/zinc/78/99/29/1222789929.db2.gz XEBHERLYEQGUHL-LBPRGKRZSA-N 1 1 364.402 0.838 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@@H+](C)C1 ZINC000840502252 1222789938 /nfs/dbraw/zinc/78/99/38/1222789938.db2.gz XEBHERLYEQGUHL-LBPRGKRZSA-N 1 1 364.402 0.838 20 5 FCBDMO Cn1c(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])nc2ccccc2c1=O ZINC001157767876 1223081941 /nfs/dbraw/zinc/08/19/41/1223081941.db2.gz ZNSVQKWEOJLMRX-TZMCWYRMSA-N 1 1 359.386 0.195 20 5 FCBDMO COCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](Cc2cc(C)no2)CC1 ZINC001162264291 1223212051 /nfs/dbraw/zinc/21/20/51/1223212051.db2.gz IGLNYBVSSQORCQ-HUUCEWRRSA-N 1 1 366.418 0.993 20 5 FCBDMO COCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](Cc2cnc(C)o2)CC1 ZINC001162264675 1223212170 /nfs/dbraw/zinc/21/21/70/1223212170.db2.gz SMSKBRNTWSMYSI-HUUCEWRRSA-N 1 1 366.418 0.993 20 5 FCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC([C@@H]([NH3+])C(=O)OC(C)(C)C)C2)n1 ZINC001163122438 1223226709 /nfs/dbraw/zinc/22/67/09/1223226709.db2.gz KQJJWRADUAONMO-GFCCVEGCSA-N 1 1 366.374 0.882 20 5 FCBDMO C[NH+](C)C1(C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC3)CCC1 ZINC000944936071 1247686170 /nfs/dbraw/zinc/68/61/70/1247686170.db2.gz LXPJFGUSVAGWCM-ZIAGYGMSSA-N 1 1 364.446 0.587 20 5 FCBDMO O=C(N[C@@H]1[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000976479215 1248223799 /nfs/dbraw/zinc/22/37/99/1248223799.db2.gz XPDNBPQMAGCGMK-QMIVOQANSA-N 1 1 362.430 0.101 20 5 FCBDMO CC(C)(C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000976493093 1248227392 /nfs/dbraw/zinc/22/73/92/1248227392.db2.gz LCOOBIRVSPHLLB-QMIVOQANSA-N 1 1 364.446 0.489 20 5 FCBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2noc3c2COCC3)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034644712 1253997876 /nfs/dbraw/zinc/99/78/76/1253997876.db2.gz KWPVVGXYWCUASJ-RTWAVKEYSA-N 1 1 364.402 0.930 20 5 FCBDMO C[N@@H+](CC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CCC1 ZINC001060750838 1254136209 /nfs/dbraw/zinc/13/62/09/1254136209.db2.gz SOJDJGYSSPGKQX-RRCSTGOVSA-N 1 1 366.462 0.927 20 5 FCBDMO C[N@H+](CC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CCC1 ZINC001060750838 1254136213 /nfs/dbraw/zinc/13/62/13/1254136213.db2.gz SOJDJGYSSPGKQX-RRCSTGOVSA-N 1 1 366.462 0.927 20 5 FCBDMO C[N@@H+](CC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CCC1 ZINC001060750838 1254136218 /nfs/dbraw/zinc/13/62/18/1254136218.db2.gz SOJDJGYSSPGKQX-RRCSTGOVSA-N 1 1 366.462 0.927 20 5 FCBDMO CCn1c(CCC[N+](=O)[O-])nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001520721965 1265976918 /nfs/dbraw/zinc/97/69/18/1265976918.db2.gz AJEFCKTYGWZBHG-CQSZACIVSA-N 1 1 352.439 0.666 20 5 FCBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001079747011 1255590868 /nfs/dbraw/zinc/59/08/68/1255590868.db2.gz QJYUBNYWCCIQIZ-HZPDHXFCSA-N 1 1 366.462 0.977 20 5 FCBDMO CCN(C(=O)CCCC[NH+]1CCCC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080025957 1255712403 /nfs/dbraw/zinc/71/24/03/1255712403.db2.gz VCUAIDVTFBMIGV-HZPDHXFCSA-N 1 1 366.462 0.977 20 5 FCBDMO CC(C)CCOCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001098364760 1258899886 /nfs/dbraw/zinc/89/98/86/1258899886.db2.gz BYEDXMXBRHAUSP-IAGOWNOFSA-N 1 1 371.478 1.000 20 5 FCBDMO CC(C)CCOCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098364760 1258899895 /nfs/dbraw/zinc/89/98/95/1258899895.db2.gz BYEDXMXBRHAUSP-IAGOWNOFSA-N 1 1 371.478 1.000 20 5 FCBDMO CC(C)CCOCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098364760 1258899899 /nfs/dbraw/zinc/89/98/99/1258899899.db2.gz BYEDXMXBRHAUSP-IAGOWNOFSA-N 1 1 371.478 1.000 20 5 FCBDMO CC(C)OCCCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001200471926 1259415319 /nfs/dbraw/zinc/41/53/19/1259415319.db2.gz LSARTJZQYJHUMK-HUUCEWRRSA-N 1 1 370.450 0.164 20 5 FCBDMO CC(=O)N1CC(=O)NC[C@]12CC[N@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254555928 1259890061 /nfs/dbraw/zinc/89/00/61/1259890061.db2.gz JQEFHAVBYSFXCK-ACJLOTCBSA-N 1 1 360.414 0.949 20 5 FCBDMO Cc1[nH+]ccn1CCCNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001257347780 1260010610 /nfs/dbraw/zinc/01/06/10/1260010610.db2.gz HSAFHFSNTJBBJL-UHFFFAOYSA-N 1 1 359.386 0.965 20 5 FCBDMO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001345103535 1261635141 /nfs/dbraw/zinc/63/51/41/1261635141.db2.gz LMLYNHMNRAKXIJ-LSDHHAIUSA-N 1 1 360.414 0.997 20 5 FCBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001321997808 1264127188 /nfs/dbraw/zinc/12/71/88/1264127188.db2.gz UQDGLEMKAVNUAL-OAHLLOKOSA-N 1 1 360.414 0.854 20 5 FCBDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001324420837 1264642389 /nfs/dbraw/zinc/64/23/89/1264642389.db2.gz UOCSUZHJPNSZLI-CQSZACIVSA-N 1 1 364.402 0.390 20 5 FCBDMO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC001326571947 1265137352 /nfs/dbraw/zinc/13/73/52/1265137352.db2.gz LYKQPFGUKTXHTP-OLZOCXBDSA-N 1 1 364.402 0.689 20 5 FCBDMO CCOCCCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001343211443 1269814420 /nfs/dbraw/zinc/81/44/20/1269814420.db2.gz WGTGXKQFBRFTTH-ZIAGYGMSSA-N 1 1 368.438 0.563 20 5 FCBDMO CCOCCCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001343211443 1269814428 /nfs/dbraw/zinc/81/44/28/1269814428.db2.gz WGTGXKQFBRFTTH-ZIAGYGMSSA-N 1 1 368.438 0.563 20 5 FCBDMO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)[NH+]1CCOCC1 ZINC001589461665 1282887057 /nfs/dbraw/zinc/88/70/57/1282887057.db2.gz ZNAOPTORQPUCAL-CYBMUJFWSA-N 1 1 362.394 0.939 20 5 FCBDMO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001589804276 1283018882 /nfs/dbraw/zinc/01/88/82/1283018882.db2.gz GHKSEOPTCBTHGY-VIFPVBQESA-N 1 1 369.407 0.571 20 5 FCBDMO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001590196053 1283304495 /nfs/dbraw/zinc/30/44/95/1283304495.db2.gz GHQSIYZDJQCLTB-RKDXNWHRSA-N 1 1 367.391 0.275 20 5 FCBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)CCOCCO ZINC001591106069 1284179088 /nfs/dbraw/zinc/17/90/88/1284179088.db2.gz NUCRYDVDDJAWLF-UHFFFAOYSA-N 1 1 351.367 0.128 20 5 FCBDMO C[N@@H+](CCNc1cc(F)c(-c2nn[nH]n2)cc1[N+](=O)[O-])CCOCCO ZINC001591105700 1284179616 /nfs/dbraw/zinc/17/96/16/1284179616.db2.gz YMUYNKYRQBBWEN-UHFFFAOYSA-N 1 1 369.357 0.267 20 5 FCBDMO Cn1cc[nH+]c1N1CCC(Nc2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001592585874 1285512333 /nfs/dbraw/zinc/51/23/33/1285512333.db2.gz ZTBVHLMXZMYNJP-UHFFFAOYSA-N 1 1 370.377 0.984 20 5 FCBDMO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCC([N@H+]2CCCOCC2)CC1 ZINC001593466542 1286171417 /nfs/dbraw/zinc/17/14/17/1286171417.db2.gz RULKAGOSKJCANL-UHFFFAOYSA-N 1 1 374.405 0.861 20 5 FCBDMO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001609374569 1289127401 /nfs/dbraw/zinc/12/74/01/1289127401.db2.gz HJPGALTVWSOFPG-QMMMGPOBSA-N 1 1 355.380 0.003 20 5 FCBDMO C[NH+]1CCC(CC(=O)NCC2=CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001756769803 1290663856 /nfs/dbraw/zinc/66/38/56/1290663856.db2.gz OCPIGBCMBBLXLW-HZPDHXFCSA-N 1 1 364.446 0.658 20 5 FCBDMO CC1(CNC(=O)C[NH+]2CCCC2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001689762306 1294837783 /nfs/dbraw/zinc/83/77/83/1294837783.db2.gz AFUZTZYDJRFQOE-ZIAGYGMSSA-N 1 1 352.435 0.492 20 5 FCBDMO C[NH+](C)CCCCC(=O)NC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073013091 837751986 /nfs/dbraw/zinc/75/19/86/837751986.db2.gz PXVKXPANQYFLBM-ZIAGYGMSSA-N 1 1 354.451 0.881 20 5 FCBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CCCCO)CC1 ZINC000750182504 836410044 /nfs/dbraw/zinc/41/00/44/836410044.db2.gz VDGVQKKOBJQKEH-UHFFFAOYSA-N 1 1 358.420 0.137 20 5 FCBDMO CC1CC[NH+](CC(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)CC1 ZINC001062990403 836747202 /nfs/dbraw/zinc/74/72/02/836747202.db2.gz IKLOEQCVGSGQQG-ZIAGYGMSSA-N 1 1 352.435 0.539 20 5 FCBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001079746646 839584150 /nfs/dbraw/zinc/58/41/50/839584150.db2.gz BFNQMXUUCVPBJQ-HUUCEWRRSA-N 1 1 352.435 0.587 20 5 FCBDMO CN1CCN(CCC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001120470075 848213145 /nfs/dbraw/zinc/21/31/45/848213145.db2.gz YCAVKEJPOJVGPF-OAHLLOKOSA-N 1 1 352.435 0.562 20 5 FCBDMO CCOc1ccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001126936251 848713498 /nfs/dbraw/zinc/71/34/98/848713498.db2.gz CVHVHLHJBFKWDZ-ZIAGYGMSSA-N 1 1 350.375 0.395 20 5 FCBDMO CC(C)N(C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC001126938548 848713695 /nfs/dbraw/zinc/71/36/95/848713695.db2.gz DVKFVPQFQYYZBC-HUUCEWRRSA-N 1 1 354.451 0.927 20 5 FCBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCCc1ccc(Cl)cc1 ZINC001126938877 848714236 /nfs/dbraw/zinc/71/42/36/848714236.db2.gz KTEPLAPWLJJXLK-ZIAGYGMSSA-N 1 1 368.821 0.370 20 5 FCBDMO O=c1cc(CNc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])nc2n1CCC[NH2+]C2 ZINC001155489278 849856360 /nfs/dbraw/zinc/85/63/60/849856360.db2.gz UJAWVPOVUPAGCP-UHFFFAOYSA-N 1 1 366.765 0.544 20 5 FCBDMO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001157602072 849984010 /nfs/dbraw/zinc/98/40/10/849984010.db2.gz LZBOZOFKSVYLEQ-UHFFFAOYSA-N 1 1 352.322 0.505 20 5 FCBDMO O=C(NCCC[NH2+]CCOCCOc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001157774998 849993026 /nfs/dbraw/zinc/99/30/26/849993026.db2.gz GKKJGIUKXNOLRH-HZPDHXFCSA-N 1 1 351.403 0.843 20 5 FCBDMO CCOC(=O)C1=C(Nc2nccc(C(=O)OC)c2[N+](=O)[O-])CC[NH2+]C1 ZINC001159453626 850116287 /nfs/dbraw/zinc/11/62/87/850116287.db2.gz XEWSIPRWMLBAOK-UHFFFAOYSA-N 1 1 350.331 0.999 20 5 FCBDMO NC(=O)[C@@H]1CN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)CC[NH2+]1 ZINC001166725344 850498321 /nfs/dbraw/zinc/49/83/21/850498321.db2.gz GRMUVLOXBCAPPS-LBPRGKRZSA-N 1 1 362.777 0.969 20 5 FCBDMO CC(=O)N1CC2(C1)C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C[C@H]2C(=O)N(C)C ZINC001169054598 850603063 /nfs/dbraw/zinc/60/30/63/850603063.db2.gz MSYNDQARIBXCLX-KFWWJZLASA-N 1 1 352.435 0.300 20 5 FCBDMO CCOCCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178458716 850900792 /nfs/dbraw/zinc/90/07/92/850900792.db2.gz UMNWSBCUWRZQLK-ZIAGYGMSSA-N 1 1 358.439 0.071 20 5 FCBDMO Cc1nc(C)n(CC[NH2+]CCCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001178458638 850901034 /nfs/dbraw/zinc/90/10/34/850901034.db2.gz PLQLORPQOKAUFV-HUUCEWRRSA-N 1 1 352.439 0.826 20 5 FCBDMO CCC(CC)NC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205230338 853600822 /nfs/dbraw/zinc/60/08/22/853600822.db2.gz OAYIZFQTULVDFA-HUUCEWRRSA-N 1 1 354.451 0.785 20 5 FCBDMO NC(=O)c1cc(NC(=O)NCCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC001220177811 855994278 /nfs/dbraw/zinc/99/42/78/855994278.db2.gz YGYQPNAHMBNUKG-UHFFFAOYSA-N 1 1 351.363 0.538 20 5 FCBDMO COc1cc(N2CCC([N@@H+]3CC[C@@H](O)[C@H](N)C3)CC2)ccc1[N+](=O)[O-] ZINC001246565291 857584219 /nfs/dbraw/zinc/58/42/19/857584219.db2.gz ASOFOGDTDUIPOZ-GDBMZVCRSA-N 1 1 350.419 0.966 20 5 FCBDMO COc1cc(N2CCC([N@H+]3CC[C@@H](O)[C@H](N)C3)CC2)ccc1[N+](=O)[O-] ZINC001246565291 857584232 /nfs/dbraw/zinc/58/42/32/857584232.db2.gz ASOFOGDTDUIPOZ-GDBMZVCRSA-N 1 1 350.419 0.966 20 5 FCBDMO COc1cc(N2CCC([N@H+]3C[C@H](O)C[C@@H]3CO)CC2)ccc1[N+](=O)[O-] ZINC001256090605 858053068 /nfs/dbraw/zinc/05/30/68/858053068.db2.gz WCAJVVFMELKJMN-HUUCEWRRSA-N 1 1 351.403 1.000 20 5 FCBDMO CC(C)(C)OC(=O)N1CCN([C@H]2CCC[N@H+](CC[N+](=O)[O-])C2)C(=O)C1 ZINC001262263575 858842124 /nfs/dbraw/zinc/84/21/24/858842124.db2.gz UFCBEYDDFZFLGT-ZDUSSCGKSA-N 1 1 356.423 0.807 20 5 FCBDMO CC(C)(C)OC(=O)N1CCN([C@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)C(=O)C1 ZINC001262263575 858842131 /nfs/dbraw/zinc/84/21/31/858842131.db2.gz UFCBEYDDFZFLGT-ZDUSSCGKSA-N 1 1 356.423 0.807 20 5 FCBDMO C[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC001353287709 867387883 /nfs/dbraw/zinc/38/78/83/867387883.db2.gz LQZAYOLSMVIBMV-HOCLYGCPSA-N 1 1 352.435 0.560 20 5 FCBDMO Cc1[nH]nc(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001319121080 867834379 /nfs/dbraw/zinc/83/43/79/867834379.db2.gz KFHVSYLCEKXSKW-UHFFFAOYSA-N 1 1 352.395 0.156 20 5 FCBDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC001323223745 869105173 /nfs/dbraw/zinc/10/51/73/869105173.db2.gz KBTBVOCCMNFKDQ-UHFFFAOYSA-N 1 1 352.395 0.049 20 5 FCBDMO Cc1nc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC001330830052 872833635 /nfs/dbraw/zinc/83/36/35/872833635.db2.gz FUPGOSDSKKHXTL-CQSZACIVSA-N 1 1 350.423 0.902 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[NH2+]C[C@@H]1C(=O)[O-] ZINC001599462209 998293464 /nfs/dbraw/zinc/29/34/64/998293464.db2.gz UOWBFOIOZLYVKQ-CYBMUJFWSA-N 1 1 366.374 0.681 20 5 FCBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)C1 ZINC000294027489 214218930 /nfs/dbraw/zinc/21/89/30/214218930.db2.gz ZNFVFESMGVBOSX-GOSISDBHSA-N 1 1 372.381 0.745 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000296326509 214343233 /nfs/dbraw/zinc/34/32/33/214343233.db2.gz XMCFYKAWDGAUGJ-CYBMUJFWSA-N 1 1 364.402 0.805 20 5 FCBDMO CNC(=O)c1ccc(N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)c([N+](=O)[O-])c1 ZINC000413492733 529940401 /nfs/dbraw/zinc/94/04/01/529940401.db2.gz DDYICKYYOVKCPN-GFCCVEGCSA-N 1 1 350.375 0.495 20 5 FCBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000265335206 210099294 /nfs/dbraw/zinc/09/92/94/210099294.db2.gz HJVNVMNNIVVVNW-HUUCEWRRSA-N 1 1 355.416 0.182 20 5 FCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000332106089 215094290 /nfs/dbraw/zinc/09/42/90/215094290.db2.gz DHFCQSYLVKEGNZ-LBPRGKRZSA-N 1 1 359.386 0.824 20 5 FCBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000332303152 215126618 /nfs/dbraw/zinc/12/66/18/215126618.db2.gz FLIHKWCYEZRRIY-VXGBXAGGSA-N 1 1 362.386 0.871 20 5 FCBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000332303143 215127052 /nfs/dbraw/zinc/12/70/52/215127052.db2.gz FLIHKWCYEZRRIY-NWDGAFQWSA-N 1 1 362.386 0.871 20 5 FCBDMO C[N@H+](CCOCCO)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000282289916 212825044 /nfs/dbraw/zinc/82/50/44/212825044.db2.gz FLCDXRSJTQQFMM-UHFFFAOYSA-N 1 1 366.418 0.184 20 5 FCBDMO C[N@@H+](CCOCCO)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000282289916 212825046 /nfs/dbraw/zinc/82/50/46/212825046.db2.gz FLCDXRSJTQQFMM-UHFFFAOYSA-N 1 1 366.418 0.184 20 5 FCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000366760483 216027350 /nfs/dbraw/zinc/02/73/50/216027350.db2.gz SLXCSSZNJNHFDS-GJZGRUSLSA-N 1 1 362.386 0.821 20 5 FCBDMO O=C1NCCN1[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000368348714 216236627 /nfs/dbraw/zinc/23/66/27/216236627.db2.gz OQAMWVCRSOQEMS-KGLIPLIRSA-N 1 1 364.402 0.824 20 5 FCBDMO CCc1[nH]nc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000192566979 209300299 /nfs/dbraw/zinc/30/02/99/209300299.db2.gz MKQBAIRJXPGJJO-UHFFFAOYSA-N 1 1 352.439 0.978 20 5 FCBDMO CCc1[nH]nc(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000192566979 209300301 /nfs/dbraw/zinc/30/03/01/209300301.db2.gz MKQBAIRJXPGJJO-UHFFFAOYSA-N 1 1 352.439 0.978 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188672608 209233305 /nfs/dbraw/zinc/23/33/05/209233305.db2.gz HLINGANAYNZXNE-LBPRGKRZSA-N 1 1 353.423 0.793 20 5 FCBDMO C[C@@H](O)C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](C)CO ZINC000276176622 212178224 /nfs/dbraw/zinc/17/82/24/212178224.db2.gz JNSYUKIQBYPWPB-VHSXEESVSA-N 1 1 355.347 0.326 20 5 FCBDMO C[C@@H](O)C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](C)CO ZINC000276176622 212178227 /nfs/dbraw/zinc/17/82/27/212178227.db2.gz JNSYUKIQBYPWPB-VHSXEESVSA-N 1 1 355.347 0.326 20 5 FCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000372806992 216947755 /nfs/dbraw/zinc/94/77/55/216947755.db2.gz POCFZQSDOOUNLF-HUUCEWRRSA-N 1 1 351.407 0.941 20 5 FCBDMO NS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000373254198 217000658 /nfs/dbraw/zinc/00/06/58/217000658.db2.gz XSPURCCWSRWHCO-NWDGAFQWSA-N 1 1 359.404 0.087 20 5 FCBDMO NS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000373254198 217000659 /nfs/dbraw/zinc/00/06/59/217000659.db2.gz XSPURCCWSRWHCO-NWDGAFQWSA-N 1 1 359.404 0.087 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000275410758 212023807 /nfs/dbraw/zinc/02/38/07/212023807.db2.gz DRRUVLAXVXPSCW-GFCCVEGCSA-N 1 1 352.391 0.540 20 5 FCBDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000374422719 217126957 /nfs/dbraw/zinc/12/69/57/217126957.db2.gz SMHCBEZGXLEROP-BVUBDWEXSA-N 1 1 353.423 0.336 20 5 FCBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000183335603 209144211 /nfs/dbraw/zinc/14/42/11/209144211.db2.gz DYXVJKRHNWZVCW-UHFFFAOYSA-N 1 1 353.427 0.070 20 5 FCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000183415763 209146431 /nfs/dbraw/zinc/14/64/31/209146431.db2.gz OREXGWATZYXORB-INIZCTEOSA-N 1 1 359.386 0.674 20 5 FCBDMO C[NH+]1CCC(N2CCC(NC(=O)c3cc([N+](=O)[O-])cnc3N)CC2)CC1 ZINC000375236375 217238256 /nfs/dbraw/zinc/23/82/56/217238256.db2.gz FYEKJMCEWUBZPL-UHFFFAOYSA-N 1 1 362.434 0.860 20 5 FCBDMO C[C@@H]1CC[NH2+]CC[C@@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422948362 246937799 /nfs/dbraw/zinc/93/77/99/246937799.db2.gz RWTXGIMRHYLPMR-DOMZBBRYSA-N 1 1 356.448 0.851 20 5 FCBDMO Cc1c(CC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cccc1[N+](=O)[O-] ZINC000423538243 247046337 /nfs/dbraw/zinc/04/63/37/247046337.db2.gz MIDOSMBRSLEZMY-HNNXBMFYSA-N 1 1 360.414 0.869 20 5 FCBDMO Cc1c(CC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cccc1[N+](=O)[O-] ZINC000423538245 247047073 /nfs/dbraw/zinc/04/70/73/247047073.db2.gz MIDOSMBRSLEZMY-OAHLLOKOSA-N 1 1 360.414 0.869 20 5 FCBDMO Cc1cc(OCC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000435752288 248018450 /nfs/dbraw/zinc/01/84/50/248018450.db2.gz JUGFQYHWMWVWRS-QGZVFWFLSA-N 1 1 367.402 0.481 20 5 FCBDMO C[C@@H]1C[C@@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[N@H+]1C1CC1 ZINC000440930409 248224099 /nfs/dbraw/zinc/22/40/99/248224099.db2.gz UJLLQLDKYBTDIW-GHMZBOCLSA-N 1 1 372.381 0.932 20 5 FCBDMO Cc1n[nH]c(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000440517086 248193693 /nfs/dbraw/zinc/19/36/93/248193693.db2.gz UUYXDEHHZSGMAI-KRWDZBQOSA-N 1 1 359.386 0.993 20 5 FCBDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000444388040 248358400 /nfs/dbraw/zinc/35/84/00/248358400.db2.gz ZOPLYQGFBYOOPK-LBPRGKRZSA-N 1 1 352.391 0.060 20 5 FCBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000444388040 248358401 /nfs/dbraw/zinc/35/84/01/248358401.db2.gz ZOPLYQGFBYOOPK-LBPRGKRZSA-N 1 1 352.391 0.060 20 5 FCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000271319999 211378853 /nfs/dbraw/zinc/37/88/53/211378853.db2.gz OBAWGVSRBMBAAQ-SNVBAGLBSA-N 1 1 350.404 0.575 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000270843180 211280587 /nfs/dbraw/zinc/28/05/87/211280587.db2.gz GGRNDMPNOJDYGE-CYBMUJFWSA-N 1 1 364.402 0.757 20 5 FCBDMO CC(C)OCCOC[C@H](O)C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270579433 211227638 /nfs/dbraw/zinc/22/76/38/211227638.db2.gz QEEVXIAGAFTFLP-OAHLLOKOSA-N 1 1 357.407 0.491 20 5 FCBDMO COc1cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000470013581 250020823 /nfs/dbraw/zinc/02/08/23/250020823.db2.gz YOHSYWHAVQKDJP-GFCCVEGCSA-N 1 1 366.418 0.899 20 5 FCBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472636353 250169184 /nfs/dbraw/zinc/16/91/84/250169184.db2.gz FZDKGDPHMJTZKH-ZDUSSCGKSA-N 1 1 368.365 0.588 20 5 FCBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000481677557 250349358 /nfs/dbraw/zinc/34/93/58/250349358.db2.gz OHDXHPINIIPMAH-GJZGRUSLSA-N 1 1 373.413 0.941 20 5 FCBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000481784906 250359028 /nfs/dbraw/zinc/35/90/28/250359028.db2.gz IPGKAJOMJDTFKL-HUUCEWRRSA-N 1 1 373.413 0.941 20 5 FCBDMO COC(=O)[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[N@@H+](C)C1 ZINC000411915204 533004456 /nfs/dbraw/zinc/00/44/56/533004456.db2.gz LFSVVXOZCJNPOB-CYBMUJFWSA-N 1 1 364.402 0.878 20 5 FCBDMO COC(=O)[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC[N@@H+](C)C1 ZINC000413490843 533008566 /nfs/dbraw/zinc/00/85/66/533008566.db2.gz ANWXIIRTBVHEQE-SNVBAGLBSA-N 1 1 361.358 0.785 20 5 FCBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000068605691 208027570 /nfs/dbraw/zinc/02/75/70/208027570.db2.gz HQMRKUNEUZXGDR-UHFFFAOYSA-N 1 1 367.381 0.599 20 5 FCBDMO C[C@@H](c1cccnc1)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075766905 208062456 /nfs/dbraw/zinc/06/24/56/208062456.db2.gz NERKESZYFCGXMH-WMLDXEAASA-N 1 1 360.418 0.926 20 5 FCBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000112922421 208303359 /nfs/dbraw/zinc/30/33/59/208303359.db2.gz MNIUJAYYJQIWCY-AWEZNQCLSA-N 1 1 352.439 0.571 20 5 FCBDMO C[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CC(C)(C)O ZINC000114728655 208316516 /nfs/dbraw/zinc/31/65/16/208316516.db2.gz PVMWXNYJUFTUAT-UHFFFAOYSA-N 1 1 350.419 0.946 20 5 FCBDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000266684850 210381202 /nfs/dbraw/zinc/38/12/02/210381202.db2.gz UHRRCTJCPCDSQQ-GFCCVEGCSA-N 1 1 350.375 0.679 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000126992458 208478818 /nfs/dbraw/zinc/47/88/18/208478818.db2.gz LAJMKRGGLKYNKY-CVEARBPZSA-N 1 1 373.413 0.851 20 5 FCBDMO C[N@@H+](C[C@@H](O)COCc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266549382 210354976 /nfs/dbraw/zinc/35/49/76/210354976.db2.gz TWRGSCVMJZPYPG-DLBZAZTESA-N 1 1 364.402 0.662 20 5 FCBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266269169 210312440 /nfs/dbraw/zinc/31/24/40/210312440.db2.gz QVJLHYAHXQVDLE-LBPRGKRZSA-N 1 1 370.431 0.401 20 5 FCBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1F ZINC000412268003 533215512 /nfs/dbraw/zinc/21/55/12/533215512.db2.gz HSMGVTHMVWFLPZ-NSHDSACASA-N 1 1 355.366 0.810 20 5 FCBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1F ZINC000412268003 533215515 /nfs/dbraw/zinc/21/55/15/533215515.db2.gz HSMGVTHMVWFLPZ-NSHDSACASA-N 1 1 355.366 0.810 20 5 FCBDMO CCc1n[nH]c(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000178004062 209040190 /nfs/dbraw/zinc/04/01/90/209040190.db2.gz LTRDPRVEHPPMSA-LBPRGKRZSA-N 1 1 364.406 0.259 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(CC(F)(F)C(F)F)CC2)c1 ZINC000173750982 229210968 /nfs/dbraw/zinc/21/09/68/229210968.db2.gz NSCBQRZXUHTRBD-LLVKDONJSA-N 1 1 369.319 0.670 20 5 FCBDMO CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000363649613 488868820 /nfs/dbraw/zinc/86/88/20/488868820.db2.gz BCRRJIUDMABYLC-CHWSQXEVSA-N 1 1 373.431 0.348 20 5 FCBDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000363649613 488868823 /nfs/dbraw/zinc/86/88/23/488868823.db2.gz BCRRJIUDMABYLC-CHWSQXEVSA-N 1 1 373.431 0.348 20 5 FCBDMO COc1ccc(C(=O)NCC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000279168747 488922097 /nfs/dbraw/zinc/92/20/97/488922097.db2.gz GWBDHSNHPXSEBF-BETUJISGSA-N 1 1 362.386 0.353 20 5 FCBDMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020556342 487610867 /nfs/dbraw/zinc/61/08/67/487610867.db2.gz JVGHXMUWQDQION-UHFFFAOYSA-N 1 1 356.404 0.037 20 5 FCBDMO NS(=O)(=O)c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000024153677 487642822 /nfs/dbraw/zinc/64/28/22/487642822.db2.gz IKGSKDKGIKLZHF-GFCCVEGCSA-N 1 1 370.431 0.543 20 5 FCBDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000029221328 487721686 /nfs/dbraw/zinc/72/16/86/487721686.db2.gz QTWQMAWYTOSSBB-UHFFFAOYSA-N 1 1 351.407 0.654 20 5 FCBDMO C[NH+]1CCN(CCCCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000029619314 487727792 /nfs/dbraw/zinc/72/77/92/487727792.db2.gz ISQRJBXHVIRADK-UHFFFAOYSA-N 1 1 371.463 0.682 20 5 FCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000032196032 487769609 /nfs/dbraw/zinc/76/96/09/487769609.db2.gz XZULVTAFLONNQJ-UHFFFAOYSA-N 1 1 351.407 0.943 20 5 FCBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279713258 488963923 /nfs/dbraw/zinc/96/39/23/488963923.db2.gz KROMTCXRSDGXQD-LSDHHAIUSA-N 1 1 353.419 0.987 20 5 FCBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000055246277 488239368 /nfs/dbraw/zinc/23/93/68/488239368.db2.gz WMTPQXHUKBNFKQ-UHFFFAOYSA-N 1 1 370.431 0.346 20 5 FCBDMO C[NH+]1CCN(C(=O)CCNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000074137484 488388294 /nfs/dbraw/zinc/38/82/94/488388294.db2.gz ROHVOXTVMZJPLW-UHFFFAOYSA-N 1 1 363.418 0.677 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(CCN3CCOCC3)CC2)c1 ZINC000075675899 488398225 /nfs/dbraw/zinc/39/82/25/488398225.db2.gz GBIPPMNKDGIVPE-QGZVFWFLSA-N 1 1 367.450 0.587 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000268429170 488418286 /nfs/dbraw/zinc/41/82/86/488418286.db2.gz ILWDCCGHQOBROU-YGRLFVJLSA-N 1 1 366.374 0.507 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000268429170 488418288 /nfs/dbraw/zinc/41/82/88/488418288.db2.gz ILWDCCGHQOBROU-YGRLFVJLSA-N 1 1 366.374 0.507 20 5 FCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CCC(F)(F)F)C[C@H](O)CO ZINC000090552087 488460165 /nfs/dbraw/zinc/46/01/65/488460165.db2.gz DHIJYXCROMERFL-NSHDSACASA-N 1 1 353.297 0.364 20 5 FCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCC(F)(F)F)C[C@H](O)CO ZINC000090552087 488460168 /nfs/dbraw/zinc/46/01/68/488460168.db2.gz DHIJYXCROMERFL-NSHDSACASA-N 1 1 353.297 0.364 20 5 FCBDMO O=C(NCCC[NH+]1CCOCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000247337222 488485262 /nfs/dbraw/zinc/48/52/62/488485262.db2.gz RAKAASGCTZYKKK-UHFFFAOYSA-N 1 1 360.374 0.628 20 5 FCBDMO NC(=O)CN1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000107676507 488517961 /nfs/dbraw/zinc/51/79/61/488517961.db2.gz HZCRGPQCIIQSCO-UHFFFAOYSA-N 1 1 359.386 0.895 20 5 FCBDMO CNS(=O)(=O)c1ccc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000109544960 488523487 /nfs/dbraw/zinc/52/34/87/488523487.db2.gz NYBAGXOTMAUAQS-VXGBXAGGSA-N 1 1 370.431 0.778 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000110826172 488527122 /nfs/dbraw/zinc/52/71/22/488527122.db2.gz KWUXDCSLOMMRFT-CYBMUJFWSA-N 1 1 364.402 0.677 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272228346 488568562 /nfs/dbraw/zinc/56/85/62/488568562.db2.gz HQJVDKYRIPAZIE-NSHDSACASA-N 1 1 364.358 0.393 20 5 FCBDMO O=C1CC[C@@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]2N1C1CC1 ZINC000125280074 488599950 /nfs/dbraw/zinc/59/99/50/488599950.db2.gz NYVJHROPGDIRDF-UHOFOFEASA-N 1 1 363.418 0.628 20 5 FCBDMO C[N@@H+](CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000263968212 488639530 /nfs/dbraw/zinc/63/95/30/488639530.db2.gz AGORPQMDBYUDPO-UHFFFAOYSA-N 1 1 357.388 0.739 20 5 FCBDMO CC(C)[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)N1CC[NH+](C)CC1 ZINC000132287252 488652331 /nfs/dbraw/zinc/65/23/31/488652331.db2.gz GSLUZWWXTUKHLL-OAHLLOKOSA-N 1 1 367.454 0.363 20 5 FCBDMO C[C@H](CS(C)(=O)=O)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273497728 488654925 /nfs/dbraw/zinc/65/49/25/488654925.db2.gz YCSZFEXMGMYLLT-SNVBAGLBSA-N 1 1 350.418 0.391 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000133389271 488659516 /nfs/dbraw/zinc/65/95/16/488659516.db2.gz VECPXJUAJJOGRI-UHFFFAOYSA-N 1 1 366.466 0.974 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000133389271 488659519 /nfs/dbraw/zinc/65/95/19/488659519.db2.gz VECPXJUAJJOGRI-UHFFFAOYSA-N 1 1 366.466 0.974 20 5 FCBDMO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000273626577 488663535 /nfs/dbraw/zinc/66/35/35/488663535.db2.gz WPDREXWPMSMGHA-LBPRGKRZSA-N 1 1 369.399 0.850 20 5 FCBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000264422405 488672207 /nfs/dbraw/zinc/67/22/07/488672207.db2.gz JBTBACFCUNKMCS-UHFFFAOYSA-N 1 1 357.432 0.980 20 5 FCBDMO CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)CCn1cc([N+](=O)[O-])cn1 ZINC000273814022 488672390 /nfs/dbraw/zinc/67/23/90/488672390.db2.gz DRQVZWFANIMIDL-CYBMUJFWSA-N 1 1 354.411 0.274 20 5 FCBDMO C[NH+](C)CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000136492166 488678050 /nfs/dbraw/zinc/67/80/50/488678050.db2.gz BMGCENZFLYYPAL-OAHLLOKOSA-N 1 1 369.443 0.715 20 5 FCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000264691720 488699032 /nfs/dbraw/zinc/69/90/32/488699032.db2.gz MIJZZHYOBOIGAC-MRXNPFEDSA-N 1 1 358.402 0.756 20 5 FCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000264735418 488704934 /nfs/dbraw/zinc/70/49/34/488704934.db2.gz JQWZKPRHKYSKEB-WFASDCNBSA-N 1 1 363.418 0.075 20 5 FCBDMO CNS(=O)(=O)c1ccc(NCC[NH+]2CCSCC2)c([N+](=O)[O-])c1 ZINC000264803130 488713995 /nfs/dbraw/zinc/71/39/95/488713995.db2.gz NJLNKYMFBQGZKX-UHFFFAOYSA-N 1 1 360.461 0.964 20 5 FCBDMO CC[N@@H+](CCO)CCNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000274568151 488720214 /nfs/dbraw/zinc/72/02/14/488720214.db2.gz QQIDOLNTLIIVLZ-GFCCVEGCSA-N 1 1 352.391 0.144 20 5 FCBDMO CC(C)OCC[NH+]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000266796857 488730868 /nfs/dbraw/zinc/73/08/68/488730868.db2.gz AVNDZCUJDUKXFY-UHFFFAOYSA-N 1 1 372.447 0.789 20 5 FCBDMO NC(=O)N1CCC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000153621204 488732979 /nfs/dbraw/zinc/73/29/79/488732979.db2.gz MWZQVSQYVXPHLM-UHFFFAOYSA-N 1 1 363.374 0.979 20 5 FCBDMO CC[N@@H+](CCCO)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000266861425 488738437 /nfs/dbraw/zinc/73/84/37/488738437.db2.gz JYESJEMJLFHNLB-UHFFFAOYSA-N 1 1 350.419 0.948 20 5 FCBDMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000266897046 488741664 /nfs/dbraw/zinc/74/16/64/488741664.db2.gz GMYANCPFIISICT-NSHDSACASA-N 1 1 353.379 0.196 20 5 FCBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000267648111 488809283 /nfs/dbraw/zinc/80/92/83/488809283.db2.gz WZUULGINPOOQGP-XJKSGUPXSA-N 1 1 366.418 0.547 20 5 FCBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000267648111 488809284 /nfs/dbraw/zinc/80/92/84/488809284.db2.gz WZUULGINPOOQGP-XJKSGUPXSA-N 1 1 366.418 0.547 20 5 FCBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000267648105 488809357 /nfs/dbraw/zinc/80/93/57/488809357.db2.gz WZUULGINPOOQGP-CJNGLKHVSA-N 1 1 366.418 0.547 20 5 FCBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000267648105 488809358 /nfs/dbraw/zinc/80/93/58/488809358.db2.gz WZUULGINPOOQGP-CJNGLKHVSA-N 1 1 366.418 0.547 20 5 FCBDMO COC(=O)c1cnc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000365107927 489039134 /nfs/dbraw/zinc/03/91/34/489039134.db2.gz AHBIXTOKMCUCIM-OCCSQVGLSA-N 1 1 350.375 0.812 20 5 FCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000281124135 489055030 /nfs/dbraw/zinc/05/50/30/489055030.db2.gz HVUWQPOMXXLZDL-LBPRGKRZSA-N 1 1 350.375 0.935 20 5 FCBDMO CNC(=O)[C@]1(C)CC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000281308842 489065990 /nfs/dbraw/zinc/06/59/90/489065990.db2.gz XLWXZYNXAAWJSA-MRXNPFEDSA-N 1 1 350.375 1.000 20 5 FCBDMO CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000281308842 489065992 /nfs/dbraw/zinc/06/59/92/489065992.db2.gz XLWXZYNXAAWJSA-MRXNPFEDSA-N 1 1 350.375 1.000 20 5 FCBDMO COC(=O)c1cc(C(C)(C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000554947348 491233953 /nfs/dbraw/zinc/23/39/53/491233953.db2.gz ZBVDCGATCPCQIO-JTQLQIEISA-N 1 1 353.335 0.452 20 5 FCBDMO NC(=O)c1ccnc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000290465878 489142434 /nfs/dbraw/zinc/14/24/34/489142434.db2.gz FYQICFODIMFTJD-CQSZACIVSA-N 1 1 371.397 0.920 20 5 FCBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000290688828 489157930 /nfs/dbraw/zinc/15/79/30/489157930.db2.gz RGTIOKYTDRXZBA-UHFFFAOYSA-N 1 1 352.391 0.937 20 5 FCBDMO CN(CCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)CC[NH+](C)C ZINC000290688828 489157933 /nfs/dbraw/zinc/15/79/33/489157933.db2.gz RGTIOKYTDRXZBA-UHFFFAOYSA-N 1 1 352.391 0.937 20 5 FCBDMO CC(=O)NCC[N@H+](Cc1ccsc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000282393078 489159965 /nfs/dbraw/zinc/15/99/65/489159965.db2.gz DQRZRLGPHAQLGW-OAHLLOKOSA-N 1 1 367.431 0.852 20 5 FCBDMO Cc1c(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cccc1[N+](=O)[O-] ZINC000296018973 489195585 /nfs/dbraw/zinc/19/55/85/489195585.db2.gz GOSMVBMJUCOZAY-CYBMUJFWSA-N 1 1 364.402 0.805 20 5 FCBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000369684054 489263063 /nfs/dbraw/zinc/26/30/63/489263063.db2.gz RSOWDGQMTJGPNK-ZDUSSCGKSA-N 1 1 366.422 0.686 20 5 FCBDMO Cn1cnc([N+](=O)[O-])c1CN1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000370045330 489310049 /nfs/dbraw/zinc/31/00/49/489310049.db2.gz KWRUBKMDGJJCTO-UHFFFAOYSA-N 1 1 350.423 0.458 20 5 FCBDMO Cn1cnc([N+](=O)[O-])c1CN1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000370045330 489310051 /nfs/dbraw/zinc/31/00/51/489310051.db2.gz KWRUBKMDGJJCTO-UHFFFAOYSA-N 1 1 350.423 0.458 20 5 FCBDMO CCc1[nH]nc(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000370065369 489312151 /nfs/dbraw/zinc/31/21/51/489312151.db2.gz NBACBIHROILYJE-UHFFFAOYSA-N 1 1 364.450 0.980 20 5 FCBDMO COc1ccc(NC(=O)CC[N@@H+](C[C@@H](C)O)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000298499586 489332109 /nfs/dbraw/zinc/33/21/09/489332109.db2.gz JZERZPJKUXGCBC-VXGBXAGGSA-N 1 1 355.391 0.996 20 5 FCBDMO NS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000370250826 489335321 /nfs/dbraw/zinc/33/53/21/489335321.db2.gz IKFAZMIGBXGOED-TZMCWYRMSA-N 1 1 359.404 0.087 20 5 FCBDMO NS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000370250826 489335324 /nfs/dbraw/zinc/33/53/24/489335324.db2.gz IKFAZMIGBXGOED-TZMCWYRMSA-N 1 1 359.404 0.087 20 5 FCBDMO COc1cccc(-c2nc(CC(=O)N3CC[NH+](C)CC3)no2)c1[N+](=O)[O-] ZINC000350233395 489335783 /nfs/dbraw/zinc/33/57/83/489335783.db2.gz SYZLNJLMBZUGAX-UHFFFAOYSA-N 1 1 361.358 0.970 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000370262959 489336864 /nfs/dbraw/zinc/33/68/64/489336864.db2.gz UEXOIMAAXFVGAL-CYBMUJFWSA-N 1 1 370.431 0.985 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000362934591 489406352 /nfs/dbraw/zinc/40/63/52/489406352.db2.gz ZPBYEPSLLTVDIX-UONOGXRCSA-N 1 1 362.386 0.821 20 5 FCBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000363057477 489417594 /nfs/dbraw/zinc/41/75/94/489417594.db2.gz DPHJEFZMZIXRLF-OAHLLOKOSA-N 1 1 361.402 0.677 20 5 FCBDMO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000371027292 489440695 /nfs/dbraw/zinc/44/06/95/489440695.db2.gz HDDYTQCTXBIIMB-LBPRGKRZSA-N 1 1 354.432 0.793 20 5 FCBDMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000371027292 489440697 /nfs/dbraw/zinc/44/06/97/489440697.db2.gz HDDYTQCTXBIIMB-LBPRGKRZSA-N 1 1 354.432 0.793 20 5 FCBDMO CC(C)[N@@H+](C)CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000299507516 489449224 /nfs/dbraw/zinc/44/92/24/489449224.db2.gz QITQAMFAKMYWBO-UHFFFAOYSA-N 1 1 358.420 0.330 20 5 FCBDMO COc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000363370147 489458812 /nfs/dbraw/zinc/45/88/12/489458812.db2.gz BBQPSQDDJHWKGH-NWDGAFQWSA-N 1 1 371.415 0.745 20 5 FCBDMO COc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000363370147 489458814 /nfs/dbraw/zinc/45/88/14/489458814.db2.gz BBQPSQDDJHWKGH-NWDGAFQWSA-N 1 1 371.415 0.745 20 5 FCBDMO CC(C)[NH+]1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000371196823 489465089 /nfs/dbraw/zinc/46/50/89/489465089.db2.gz UJVYGSTVVCUZCV-UHFFFAOYSA-N 1 1 364.450 0.808 20 5 FCBDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000371274390 489472424 /nfs/dbraw/zinc/47/24/24/489472424.db2.gz FAGIANNVNOGBTI-LSDHHAIUSA-N 1 1 356.382 0.971 20 5 FCBDMO C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000451665924 489515898 /nfs/dbraw/zinc/51/58/98/489515898.db2.gz RDEDJEVCFSEVNE-ZNMIVQPWSA-N 1 1 353.419 0.721 20 5 FCBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)N1CCO ZINC000451665924 489515900 /nfs/dbraw/zinc/51/59/00/489515900.db2.gz RDEDJEVCFSEVNE-ZNMIVQPWSA-N 1 1 353.419 0.721 20 5 FCBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)N1CCO ZINC000451665924 489515902 /nfs/dbraw/zinc/51/59/02/489515902.db2.gz RDEDJEVCFSEVNE-ZNMIVQPWSA-N 1 1 353.419 0.721 20 5 FCBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000372609549 489608341 /nfs/dbraw/zinc/60/83/41/489608341.db2.gz ZVQZAPCLNNCBDA-INIZCTEOSA-N 1 1 362.430 0.660 20 5 FCBDMO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000372824188 489640568 /nfs/dbraw/zinc/64/05/68/489640568.db2.gz QVWPUOONVUALPY-CABCVRRESA-N 1 1 369.443 0.920 20 5 FCBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000469211340 489696440 /nfs/dbraw/zinc/69/64/40/489696440.db2.gz ZECMIBVHZHJBOG-OLZOCXBDSA-N 1 1 368.438 0.664 20 5 FCBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000376664541 489772777 /nfs/dbraw/zinc/77/27/77/489772777.db2.gz QFSDUDQOSQCBLL-GWCFXTLKSA-N 1 1 368.415 0.408 20 5 FCBDMO Cn1cc(C(=O)NCC2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)cn1 ZINC000475377082 489822135 /nfs/dbraw/zinc/82/21/35/489822135.db2.gz UYNGCGWDHFCKDJ-UHFFFAOYSA-N 1 1 361.406 0.704 20 5 FCBDMO COc1c(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000475529460 489834509 /nfs/dbraw/zinc/83/45/09/489834509.db2.gz QTSYXEIOZXHDRQ-LBPRGKRZSA-N 1 1 364.402 0.921 20 5 FCBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCCN1CC[NH+](CCO)CC1 ZINC000432543281 489847142 /nfs/dbraw/zinc/84/71/42/489847142.db2.gz TUOYMOFXIAGDCN-UHFFFAOYSA-N 1 1 364.446 0.644 20 5 FCBDMO C[C@H]1C[N@@H+](CCCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCCO1 ZINC000432557376 489847187 /nfs/dbraw/zinc/84/71/87/489847187.db2.gz LMGZVNZFAGYDJU-ZDUSSCGKSA-N 1 1 352.391 0.374 20 5 FCBDMO CS[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1N1CCCC1 ZINC000460360491 489865349 /nfs/dbraw/zinc/86/53/49/489865349.db2.gz DMMCLZXTRANRLN-RBSFLKMASA-N 1 1 355.464 0.664 20 5 FCBDMO CS[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1N1CCCC1 ZINC000460360491 489865353 /nfs/dbraw/zinc/86/53/53/489865353.db2.gz DMMCLZXTRANRLN-RBSFLKMASA-N 1 1 355.464 0.664 20 5 FCBDMO C[C@](O)(CNC(=O)CCOc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000434324165 489922239 /nfs/dbraw/zinc/92/22/39/489922239.db2.gz MSUYQYLEOAWXFM-KRWDZBQOSA-N 1 1 367.402 0.563 20 5 FCBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000378173467 490022416 /nfs/dbraw/zinc/02/24/16/490022416.db2.gz BWAYBWWCVGBIIH-AWEZNQCLSA-N 1 1 365.438 0.213 20 5 FCBDMO COC(=O)C[C@]1([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000464595618 490061093 /nfs/dbraw/zinc/06/10/93/490061093.db2.gz ITRGODDJDLCPAB-MRXNPFEDSA-N 1 1 351.359 0.869 20 5 FCBDMO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000378422385 490061740 /nfs/dbraw/zinc/06/17/40/490061740.db2.gz ODWTXXAXPAONDW-CABCVRRESA-N 1 1 362.386 0.591 20 5 FCBDMO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000378501060 490073885 /nfs/dbraw/zinc/07/38/85/490073885.db2.gz VNHDLUKEMMINRM-TZMCWYRMSA-N 1 1 363.370 0.995 20 5 FCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465117347 490083715 /nfs/dbraw/zinc/08/37/15/490083715.db2.gz BKEREXQSPCWUKS-CYBMUJFWSA-N 1 1 364.402 0.271 20 5 FCBDMO C[N@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000545164264 490088736 /nfs/dbraw/zinc/08/87/36/490088736.db2.gz UOUMADDGJAIXOU-AWEZNQCLSA-N 1 1 356.766 0.370 20 5 FCBDMO C[C@@H](O)CN(C)c1ccc([N+](=O)[O-])c(NC(=O)C[N@H+](C)C[C@@H](C)O)c1 ZINC000520385862 490140255 /nfs/dbraw/zinc/14/02/55/490140255.db2.gz DANMGGAUJRQEQE-VXGBXAGGSA-N 1 1 354.407 0.663 20 5 FCBDMO C[C@@H](O)CN(C)c1ccc([N+](=O)[O-])c(NC(=O)C[N@@H+](C)C[C@@H](C)O)c1 ZINC000520385862 490140264 /nfs/dbraw/zinc/14/02/64/490140264.db2.gz DANMGGAUJRQEQE-VXGBXAGGSA-N 1 1 354.407 0.663 20 5 FCBDMO CCn1nc(C)c([N+](=O)[O-])c1NCCCCN1CC[NH+](CCO)CC1 ZINC000480011574 490148685 /nfs/dbraw/zinc/14/86/85/490148685.db2.gz JGRGUHVPGWKXAA-UHFFFAOYSA-N 1 1 354.455 0.922 20 5 FCBDMO CCOC(=O)c1cc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000545863012 490158691 /nfs/dbraw/zinc/15/86/91/490158691.db2.gz LZHHALYSELLUER-INIZCTEOSA-N 1 1 351.359 0.568 20 5 FCBDMO CCOc1cc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000545863594 490159734 /nfs/dbraw/zinc/15/97/34/490159734.db2.gz KKJUCTZJBIKPEN-MRXNPFEDSA-N 1 1 353.375 0.799 20 5 FCBDMO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000533140015 490182991 /nfs/dbraw/zinc/18/29/91/490182991.db2.gz CKSNECKNAULNGL-ZDUSSCGKSA-N 1 1 373.369 0.380 20 5 FCBDMO COC[C@H](C)OC[C@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000447305192 490216466 /nfs/dbraw/zinc/21/64/66/490216466.db2.gz LDAUMGWYZWMYDN-KCQAQPDRSA-N 1 1 354.407 0.888 20 5 FCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000497880445 490227352 /nfs/dbraw/zinc/22/73/52/490227352.db2.gz KXGKXJNYVWLJTA-CYBMUJFWSA-N 1 1 368.459 0.655 20 5 FCBDMO C[N@H+]1CCC[C@@H]1CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000498636437 490320206 /nfs/dbraw/zinc/32/02/06/490320206.db2.gz UWEFYAOHVBXRQQ-CYBMUJFWSA-N 1 1 370.431 0.474 20 5 FCBDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000411253328 490416353 /nfs/dbraw/zinc/41/63/53/490416353.db2.gz LNQPUULVVVEDCR-ZDUSSCGKSA-N 1 1 364.402 0.987 20 5 FCBDMO COc1ccc(C(=O)NCC(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000509594405 490441365 /nfs/dbraw/zinc/44/13/65/490441365.db2.gz VNXNCXYWHLJXOF-NWDGAFQWSA-N 1 1 364.402 0.884 20 5 FCBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CCC[N@H+]1CCCO ZINC000450598770 490478095 /nfs/dbraw/zinc/47/80/95/490478095.db2.gz RDJSBESWOSITPL-GFCCVEGCSA-N 1 1 358.420 0.501 20 5 FCBDMO NS(=O)(=O)c1cccc(NC[C@H]2CCC[N@H+]2CCCO)c1[N+](=O)[O-] ZINC000450595187 490478129 /nfs/dbraw/zinc/47/81/29/490478129.db2.gz LPCMPPJIEHQQSW-LLVKDONJSA-N 1 1 358.420 0.501 20 5 FCBDMO C[C@@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@H](C)[N@H+]1CCO ZINC000450797500 490490467 /nfs/dbraw/zinc/49/04/67/490490467.db2.gz SXENORHILGLHME-PHIMTYICSA-N 1 1 358.420 0.134 20 5 FCBDMO C[C@@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@H](C)[N@@H+]1CCO ZINC000450797500 490490470 /nfs/dbraw/zinc/49/04/70/490490470.db2.gz SXENORHILGLHME-PHIMTYICSA-N 1 1 358.420 0.134 20 5 FCBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000524417138 490537034 /nfs/dbraw/zinc/53/70/34/490537034.db2.gz LMSZZTSQHAHDSA-LBPRGKRZSA-N 1 1 364.402 0.921 20 5 FCBDMO COc1ccc(C(=O)NCC(=O)N2CC[N@@H+](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000501278289 490593236 /nfs/dbraw/zinc/59/32/36/490593236.db2.gz QUBQLOKGESLODD-GFCCVEGCSA-N 1 1 364.402 0.886 20 5 FCBDMO CNc1ccc(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1[N+](=O)[O-] ZINC000564951041 491339720 /nfs/dbraw/zinc/33/97/20/491339720.db2.gz MQWGFBUGTNDJAI-CYBMUJFWSA-N 1 1 361.402 0.673 20 5 FCBDMO C[C@@H]1C[N@H+](C)CC[C@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536858978 490618281 /nfs/dbraw/zinc/61/82/81/490618281.db2.gz PTMFECLNRNMKQQ-IUODEOHRSA-N 1 1 356.448 0.803 20 5 FCBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536858978 490618286 /nfs/dbraw/zinc/61/82/86/490618286.db2.gz PTMFECLNRNMKQQ-IUODEOHRSA-N 1 1 356.448 0.803 20 5 FCBDMO C[C@@H]1CN(C)CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536858978 490618289 /nfs/dbraw/zinc/61/82/89/490618289.db2.gz PTMFECLNRNMKQQ-IUODEOHRSA-N 1 1 356.448 0.803 20 5 FCBDMO O=C(NCC[N@@H+]1CCCOCC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000527119387 490700559 /nfs/dbraw/zinc/70/05/59/490700559.db2.gz 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Cc1c(C(=O)NC[C@H]2CCC[N@H+](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000530576753 490914192 /nfs/dbraw/zinc/91/41/92/490914192.db2.gz LZLQLNBYWMPJLX-LLVKDONJSA-N 1 1 370.431 0.622 20 5 FCBDMO Cc1nn(CCC(=O)N(C)CCC[NH+]2CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000517686548 490916580 /nfs/dbraw/zinc/91/65/80/490916580.db2.gz YTUNFXGGICLLJZ-UHFFFAOYSA-N 1 1 366.466 0.894 20 5 FCBDMO C[C@](O)(CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)C[NH+]1CCOCC1 ZINC000530959342 490933268 /nfs/dbraw/zinc/93/32/68/490933268.db2.gz BYMJZDOPWMKYET-KRWDZBQOSA-N 1 1 362.386 0.889 20 5 FCBDMO CC(C)(O)C[NH+]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000543902637 490950751 /nfs/dbraw/zinc/95/07/51/490950751.db2.gz HGTUKJZSKCGYAD-UHFFFAOYSA-N 1 1 358.420 0.135 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000562733590 491185641 /nfs/dbraw/zinc/18/56/41/491185641.db2.gz FKJKSYJDQGHSHV-ZDUSSCGKSA-N 1 1 365.386 0.709 20 5 FCBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 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CC1(C)CC[N@@H+](CC(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC000946706521 667708675 /nfs/dbraw/zinc/70/86/75/667708675.db2.gz BRFLTXSLXITLNN-ZIAGYGMSSA-N 1 1 352.435 0.491 20 5 FCBDMO CC1(C)CC[N@H+](CC(=O)NC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000946706521 667708679 /nfs/dbraw/zinc/70/86/79/667708679.db2.gz BRFLTXSLXITLNN-ZIAGYGMSSA-N 1 1 352.435 0.491 20 5 FCBDMO CC1(C)CC[N@@H+](CC(=O)NC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000946706521 667708681 /nfs/dbraw/zinc/70/86/81/667708681.db2.gz BRFLTXSLXITLNN-ZIAGYGMSSA-N 1 1 352.435 0.491 20 5 FCBDMO Cc1c(C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000762715018 667927395 /nfs/dbraw/zinc/92/73/95/667927395.db2.gz DWDLUQACSDXKDJ-OAHLLOKOSA-N 1 1 352.347 0.916 20 5 FCBDMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776586191 668274872 /nfs/dbraw/zinc/27/48/72/668274872.db2.gz KIHWVWLLOWBBHZ-SWLSCSKDSA-N 1 1 357.432 0.889 20 5 FCBDMO COC(=O)[C@H]1CC(=O)N(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000782859841 668584318 /nfs/dbraw/zinc/58/43/18/668584318.db2.gz DIBIANBKNHPYIY-NSHDSACASA-N 1 1 351.363 0.407 20 5 FCBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000783279243 668608651 /nfs/dbraw/zinc/60/86/51/668608651.db2.gz NAZACYNRUOKELH-GFCCVEGCSA-N 1 1 353.379 0.277 20 5 FCBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000818986634 668968769 /nfs/dbraw/zinc/96/87/69/668968769.db2.gz QSNWOCTXLRBHRT-BFYDXBDKSA-N 1 1 351.403 0.787 20 5 FCBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000818986634 668968772 /nfs/dbraw/zinc/96/87/72/668968772.db2.gz QSNWOCTXLRBHRT-BFYDXBDKSA-N 1 1 351.403 0.787 20 5 FCBDMO COCC[N@H+]1[C@H](C)CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@@H]1C ZINC000826628881 669505182 /nfs/dbraw/zinc/50/51/82/669505182.db2.gz GTUCUBUGBXIDND-TXEJJXNPSA-N 1 1 372.447 0.788 20 5 FCBDMO COCC[N@@H+]1[C@H](C)CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@@H]1C ZINC000826628881 669505186 /nfs/dbraw/zinc/50/51/86/669505186.db2.gz GTUCUBUGBXIDND-TXEJJXNPSA-N 1 1 372.447 0.788 20 5 FCBDMO C[C@@H]1CN(Cn2cc(Br)c([N+](=O)[O-])n2)C[C@H](C)[N@@H+]1CCO ZINC000840134247 669563009 /nfs/dbraw/zinc/56/30/09/669563009.db2.gz LFGBBLAGTLDCOB-AOOOYVTPSA-N 1 1 362.228 0.898 20 5 FCBDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000842859437 670745848 /nfs/dbraw/zinc/74/58/48/670745848.db2.gz MENKRFQLGHWWHI-JTQLQIEISA-N 1 1 361.351 0.260 20 5 FCBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000967946786 675165839 /nfs/dbraw/zinc/16/58/39/675165839.db2.gz QINDBXWNXGEVOD-HUUCEWRRSA-N 1 1 352.435 0.587 20 5 FCBDMO Cc1c(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000846514942 671121449 /nfs/dbraw/zinc/12/14/49/671121449.db2.gz DOMMYOJZOBDJPQ-GFCCVEGCSA-N 1 1 350.331 0.702 20 5 FCBDMO Cc1c(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000846514942 671121452 /nfs/dbraw/zinc/12/14/52/671121452.db2.gz DOMMYOJZOBDJPQ-GFCCVEGCSA-N 1 1 350.331 0.702 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCS(=O)(=O)N1CCOCC1 ZINC000850442761 671383668 /nfs/dbraw/zinc/38/36/68/671383668.db2.gz KZXLBXSBZCTHEN-LBPRGKRZSA-N 1 1 373.431 0.916 20 5 FCBDMO O=C(CCCC[NH+]1CCOCC1)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000803512683 675932072 /nfs/dbraw/zinc/93/20/72/675932072.db2.gz QFJYIPRMNTUGQN-UHFFFAOYSA-N 1 1 353.375 0.802 20 5 FCBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])ncc1Br ZINC000863832861 672158769 /nfs/dbraw/zinc/15/87/69/672158769.db2.gz HGTVEJWUVCSFJK-QMMMGPOBSA-N 1 1 359.180 0.549 20 5 FCBDMO CN1CC[NH+](C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000867817900 672372043 /nfs/dbraw/zinc/37/20/43/672372043.db2.gz WHNSPTINTOCMHK-UHFFFAOYSA-N 1 1 368.459 0.995 20 5 FCBDMO CC(C)CCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055512744 676021865 /nfs/dbraw/zinc/02/18/65/676021865.db2.gz UEGQNBHNWCGTNK-HUUCEWRRSA-N 1 1 354.451 0.785 20 5 FCBDMO O=C(CC(F)(F)F)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055535783 676022706 /nfs/dbraw/zinc/02/27/06/676022706.db2.gz GXEJXYZYGSQYRD-GHMZBOCLSA-N 1 1 366.340 0.301 20 5 FCBDMO CC/C=C(/C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575017 676024718 /nfs/dbraw/zinc/02/47/18/676024718.db2.gz IHVQGVKBFNWVES-GVEVTVJESA-N 1 1 352.435 0.705 20 5 FCBDMO CC/C(C)=C/C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575317 676025119 /nfs/dbraw/zinc/02/51/19/676025119.db2.gz RXUAVFOTVYAQAQ-CFXNXBPSSA-N 1 1 352.435 0.705 20 5 FCBDMO C[N@H+]1CCCN(CCCNS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000882522865 673320046 /nfs/dbraw/zinc/32/00/46/673320046.db2.gz FBJUZSXQNSNWRT-UHFFFAOYSA-N 1 1 362.477 0.962 20 5 FCBDMO O=C(C[NH+]1CCCC1)N1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001010654801 675369580 /nfs/dbraw/zinc/36/95/80/675369580.db2.gz CSJHAFKCQDPNLG-ZIAGYGMSSA-N 1 1 350.419 0.198 20 5 FCBDMO C[N@@H+](CC(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1)C1CCC1 ZINC001019014897 675419771 /nfs/dbraw/zinc/41/97/71/675419771.db2.gz GEBHWMXECAIPLE-ZIAGYGMSSA-N 1 1 350.419 0.197 20 5 FCBDMO C[N@H+](CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)C1CCC1 ZINC001019014897 675419774 /nfs/dbraw/zinc/41/97/74/675419774.db2.gz GEBHWMXECAIPLE-ZIAGYGMSSA-N 1 1 350.419 0.197 20 5 FCBDMO C[N@@H+](CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)C1CCC1 ZINC001019014897 675419776 /nfs/dbraw/zinc/41/97/76/675419776.db2.gz GEBHWMXECAIPLE-ZIAGYGMSSA-N 1 1 350.419 0.197 20 5 FCBDMO C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1C[N@@H+](C)CCN1C ZINC000900803522 675717682 /nfs/dbraw/zinc/71/76/82/675717682.db2.gz JVPGXTSSSQSNJJ-ZWNOBZJWSA-N 1 1 350.375 0.688 20 5 FCBDMO CN1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[N@@H+](C)CC1 ZINC000888995163 1167867105 /nfs/dbraw/zinc/86/71/05/1167867105.db2.gz CMWCGOCPFWJWIM-UHFFFAOYSA-N 1 1 360.418 0.650 20 5 FCBDMO O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NCc1cccs1 ZINC001691440483 1179018271 /nfs/dbraw/zinc/01/82/71/1179018271.db2.gz MHRTZEDTWCFGRW-ZMJPVWNMSA-N 1 1 366.443 0.514 20 5 FCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cccc4c3OCCO4)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025778342 1182825391 /nfs/dbraw/zinc/82/53/91/1182825391.db2.gz SRYYFCMLXHEURW-SSZWKKLZSA-N 1 1 359.382 0.669 20 5 FCBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cccc4c3OCCO4)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025778342 1182825394 /nfs/dbraw/zinc/82/53/94/1182825394.db2.gz SRYYFCMLXHEURW-SSZWKKLZSA-N 1 1 359.382 0.669 20 5 FCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cccc4c3OCCO4)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025778342 1182825397 /nfs/dbraw/zinc/82/53/97/1182825397.db2.gz SRYYFCMLXHEURW-SSZWKKLZSA-N 1 1 359.382 0.669 20 5 FCBDMO C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000974115900 1183004753 /nfs/dbraw/zinc/00/47/53/1183004753.db2.gz DPAQYNJLFZRPTH-QKPAOTATSA-N 1 1 360.414 0.790 20 5 FCBDMO CN1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@H+](C)CC1 ZINC000888992268 1183255225 /nfs/dbraw/zinc/25/52/25/1183255225.db2.gz DMUMKDSISIUIPT-UHFFFAOYSA-N 1 1 364.402 0.685 20 5 FCBDMO CN1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@@H+](C)CC1 ZINC000888992268 1183255229 /nfs/dbraw/zinc/25/52/29/1183255229.db2.gz DMUMKDSISIUIPT-UHFFFAOYSA-N 1 1 364.402 0.685 20 5 FCBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ncnn2-c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983652294 1188248055 /nfs/dbraw/zinc/24/80/55/1188248055.db2.gz AULLFIIOQPQSAK-RRCSTGOVSA-N 1 1 370.413 0.917 20 5 FCBDMO COc1cc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])cc1OC ZINC000896582867 1190103364 /nfs/dbraw/zinc/10/33/64/1190103364.db2.gz VUGMOJOMDMEKIS-BXUZGUMPSA-N 1 1 366.418 0.976 20 5 FCBDMO C[C@@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000840672760 1190264395 /nfs/dbraw/zinc/26/43/95/1190264395.db2.gz NGJJJPVPQQLESU-DTZQCDIJSA-N 1 1 361.398 0.974 20 5 FCBDMO C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000840672760 1190264399 /nfs/dbraw/zinc/26/43/99/1190264399.db2.gz NGJJJPVPQQLESU-DTZQCDIJSA-N 1 1 361.398 0.974 20 5 FCBDMO C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000840672760 1190264408 /nfs/dbraw/zinc/26/44/08/1190264408.db2.gz NGJJJPVPQQLESU-DTZQCDIJSA-N 1 1 361.398 0.974 20 5 FCBDMO CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000899139416 1194115043 /nfs/dbraw/zinc/11/50/43/1194115043.db2.gz GZCBDELDYNYCLH-HZPDHXFCSA-N 1 1 360.414 0.979 20 5 FCBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCCCCc1ccccc1 ZINC001126949466 1195026036 /nfs/dbraw/zinc/02/60/36/1195026036.db2.gz UNADWSVWEURTFZ-HZPDHXFCSA-N 1 1 362.430 0.497 20 5 FCBDMO CNC(=O)c1ccc(N2CC[NH+](CCOCCOC)CC2)c([N+](=O)[O-])c1 ZINC000593518595 1196801640 /nfs/dbraw/zinc/80/16/40/1196801640.db2.gz TUVFSQFGBURMIH-UHFFFAOYSA-N 1 1 366.418 0.739 20 5 FCBDMO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2 ZINC001219256732 1224404847 /nfs/dbraw/zinc/40/48/47/1224404847.db2.gz XRUKAGKJGDKTSJ-HZMBPMFUSA-N 1 1 368.393 0.153 20 5 FCBDMO CNC(=O)C1([NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCCC1 ZINC000733998723 1197684164 /nfs/dbraw/zinc/68/41/64/1197684164.db2.gz AXMZXPLONQWNRM-UHFFFAOYSA-N 1 1 364.358 0.910 20 5 FCBDMO CNC(=O)CN1CCOC[C@]2(CCC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169018171 1199043579 /nfs/dbraw/zinc/04/35/79/1199043579.db2.gz CAOOPAVDIAYIIX-JFIYKMOQSA-N 1 1 368.478 0.592 20 5 FCBDMO CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001169026681 1199044038 /nfs/dbraw/zinc/04/40/38/1199044038.db2.gz YRTMXPVHSNIWKJ-QBPKDAKJSA-N 1 1 368.478 0.543 20 5 FCBDMO CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001169026681 1199044041 /nfs/dbraw/zinc/04/40/41/1199044041.db2.gz YRTMXPVHSNIWKJ-QBPKDAKJSA-N 1 1 368.478 0.543 20 5 FCBDMO CN(C)C(=O)CN1CCO[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001169026681 1199044044 /nfs/dbraw/zinc/04/40/44/1199044044.db2.gz YRTMXPVHSNIWKJ-QBPKDAKJSA-N 1 1 368.478 0.543 20 5 FCBDMO CN(C)C(=O)CN1CCO[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001169026681 1199044049 /nfs/dbraw/zinc/04/40/49/1199044049.db2.gz YRTMXPVHSNIWKJ-QBPKDAKJSA-N 1 1 368.478 0.543 20 5 FCBDMO CCOC(=O)C1(Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])CCN(C)CC1 ZINC001169490623 1199070646 /nfs/dbraw/zinc/07/06/46/1199070646.db2.gz FSCMNGLBJZJNRK-UHFFFAOYSA-N 1 1 364.406 0.511 20 5 FCBDMO CC[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000769635924 1200336047 /nfs/dbraw/zinc/33/60/47/1200336047.db2.gz QLMQYENQLHHXOU-UHFFFAOYSA-N 1 1 366.418 0.475 20 5 FCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000793876110 1201273012 /nfs/dbraw/zinc/27/30/12/1201273012.db2.gz WICIMHGNGGFYPD-QWHCGFSZSA-N 1 1 361.402 0.858 20 5 FCBDMO NC(=O)C[NH+]1CCC(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000822316985 1203226974 /nfs/dbraw/zinc/22/69/74/1203226974.db2.gz LJBRJUUMDKJWQI-UHFFFAOYSA-N 1 1 372.385 0.664 20 5 FCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879213733 1210474792 /nfs/dbraw/zinc/47/47/92/1210474792.db2.gz JWPXUCAVMFEHBF-UHFFFAOYSA-N 1 1 362.434 0.964 20 5 FCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000930875284 1211726652 /nfs/dbraw/zinc/72/66/52/1211726652.db2.gz LYWNKXOYYWZLMU-CQSZACIVSA-N 1 1 362.434 0.964 20 5 FCBDMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000931870265 1211775540 /nfs/dbraw/zinc/77/55/40/1211775540.db2.gz KNWHUTYWLGYTDS-HNNXBMFYSA-N 1 1 361.402 0.064 20 5 FCBDMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000931870265 1211775544 /nfs/dbraw/zinc/77/55/44/1211775544.db2.gz KNWHUTYWLGYTDS-HNNXBMFYSA-N 1 1 361.402 0.064 20 5 FCBDMO C[NH+]1CCC(CC(=O)N2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000948938761 1212265588 /nfs/dbraw/zinc/26/55/88/1212265588.db2.gz MQYAWGCFDMRDPI-HZPDHXFCSA-N 1 1 366.462 0.738 20 5 FCBDMO CC1CC[NH+](CC(=O)N2CCC(C)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000956366967 1213187920 /nfs/dbraw/zinc/18/79/20/1213187920.db2.gz QVEOKRUXVFKMMR-HUUCEWRRSA-N 1 1 366.462 0.881 20 5 FCBDMO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000795690778 1213274211 /nfs/dbraw/zinc/27/42/11/1213274211.db2.gz KYGNQCCSDRTTSX-GXTWGEPZSA-N 1 1 374.397 0.943 20 5 FCBDMO O=C(C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1)N1CCC1 ZINC000957547586 1213320585 /nfs/dbraw/zinc/32/05/85/1213320585.db2.gz KKEQEZKDKCQZNX-HUUCEWRRSA-N 1 1 364.446 0.589 20 5 FCBDMO C[N@@H+](CC(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1)C1CCC1 ZINC001010651795 1213806116 /nfs/dbraw/zinc/80/61/16/1213806116.db2.gz BXQDBIABARCETK-HUUCEWRRSA-N 1 1 364.446 0.587 20 5 FCBDMO C[N@H+](CC(=O)N1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)C1CCC1 ZINC001010651795 1213806119 /nfs/dbraw/zinc/80/61/19/1213806119.db2.gz BXQDBIABARCETK-HUUCEWRRSA-N 1 1 364.446 0.587 20 5 FCBDMO C[N@@H+](CC(=O)N1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)C1CCC1 ZINC001010651795 1213806120 /nfs/dbraw/zinc/80/61/20/1213806120.db2.gz BXQDBIABARCETK-HUUCEWRRSA-N 1 1 364.446 0.587 20 5 FCBDMO O=C(NCC1=CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001017446513 1214096473 /nfs/dbraw/zinc/09/64/73/1214096473.db2.gz QHOPSQLKBABAJC-HZPDHXFCSA-N 1 1 369.381 0.888 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001019013482 1214178709 /nfs/dbraw/zinc/17/87/09/1214178709.db2.gz CGIYOJAOKUTZMH-ZIAGYGMSSA-N 1 1 362.430 0.341 20 5 FCBDMO CC(C)(C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2)[NH+]1CCCC1 ZINC001019247960 1214224081 /nfs/dbraw/zinc/22/40/81/1214224081.db2.gz APBFPSVRUWXVTL-ZIAGYGMSSA-N 1 1 364.446 0.587 20 5 FCBDMO Cn1cc(CC[NH+]2CCC3(CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)CC2)cn1 ZINC001040699271 1214567696 /nfs/dbraw/zinc/56/76/96/1214567696.db2.gz BBQLFSCVGLUEQG-HZPDHXFCSA-N 1 1 361.446 0.942 20 5 FCBDMO CCC1(NC(=O)C2(C[NH+](C)C)CC2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001069367817 1216785881 /nfs/dbraw/zinc/78/58/81/1216785881.db2.gz BRMCHZHCVRQVAJ-ZIAGYGMSSA-N 1 1 366.462 0.881 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N(Cc1ccccn1)C1CC[NH+](CCCO)CC1 ZINC001048628358 1218301183 /nfs/dbraw/zinc/30/11/83/1218301183.db2.gz WMBDEULNKBFOQE-IAGOWNOFSA-N 1 1 362.430 0.922 20 5 FCBDMO Cn1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)c(C(F)F)n1 ZINC001048813118 1218319358 /nfs/dbraw/zinc/31/93/58/1218319358.db2.gz AHTPPZNZMWEIGK-LYIQGSDWSA-N 1 1 369.372 0.913 20 5 FCBDMO Cn1cc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)c(C(F)F)n1 ZINC001048813118 1218319365 /nfs/dbraw/zinc/31/93/65/1218319365.db2.gz AHTPPZNZMWEIGK-LYIQGSDWSA-N 1 1 369.372 0.913 20 5 FCBDMO Cn1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)c(C(F)F)n1 ZINC001048813118 1218319371 /nfs/dbraw/zinc/31/93/71/1218319371.db2.gz AHTPPZNZMWEIGK-LYIQGSDWSA-N 1 1 369.372 0.913 20 5 FCBDMO CC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001053809419 1218892562 /nfs/dbraw/zinc/89/25/62/1218892562.db2.gz HATNTXXDYSZIBW-YIDVYQOGSA-N 1 1 366.462 0.879 20 5 FCBDMO CC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001053809419 1218892564 /nfs/dbraw/zinc/89/25/64/1218892564.db2.gz HATNTXXDYSZIBW-YIDVYQOGSA-N 1 1 366.462 0.879 20 5 FCBDMO CC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001053809419 1218892565 /nfs/dbraw/zinc/89/25/65/1218892565.db2.gz HATNTXXDYSZIBW-YIDVYQOGSA-N 1 1 366.462 0.879 20 5 FCBDMO CC[NH+](CC)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001053821836 1218892857 /nfs/dbraw/zinc/89/28/57/1218892857.db2.gz YMRSLFCTRUTZSC-YIDVYQOGSA-N 1 1 366.462 0.879 20 5 FCBDMO C[NH+]1CCC(CC(=O)NC2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001073015424 1219632517 /nfs/dbraw/zinc/63/25/17/1219632517.db2.gz DSSADDRFXZNCHF-HUUCEWRRSA-N 1 1 366.462 0.881 20 5 FCBDMO CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC001074330868 1219685968 /nfs/dbraw/zinc/68/59/68/1219685968.db2.gz UVAXURBJKMQHEO-QKPAOTATSA-N 1 1 366.462 0.690 20 5 FCBDMO CC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC001074330868 1219685974 /nfs/dbraw/zinc/68/59/74/1219685974.db2.gz UVAXURBJKMQHEO-QKPAOTATSA-N 1 1 366.462 0.690 20 5 FCBDMO CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC001074330868 1219685979 /nfs/dbraw/zinc/68/59/79/1219685979.db2.gz UVAXURBJKMQHEO-QKPAOTATSA-N 1 1 366.462 0.690 20 5 FCBDMO CC1(C)CN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000781681944 1221091067 /nfs/dbraw/zinc/09/10/67/1221091067.db2.gz JKZFPVFPEHGWLH-UHFFFAOYSA-N 1 1 365.386 0.701 20 5 FCBDMO CC1(C)CN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000781681944 1221091073 /nfs/dbraw/zinc/09/10/73/1221091073.db2.gz JKZFPVFPEHGWLH-UHFFFAOYSA-N 1 1 365.386 0.701 20 5 FCBDMO COc1ccc(C(=O)NCC(=O)NCC[N@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000783920568 1221222733 /nfs/dbraw/zinc/22/27/33/1221222733.db2.gz MWYOTZVUHZPREF-LBPRGKRZSA-N 1 1 364.402 0.934 20 5 FCBDMO C[NH+]1CCN(CC(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001116036797 1221331056 /nfs/dbraw/zinc/33/10/56/1221331056.db2.gz PJHOCRJIJSKQSK-UHFFFAOYSA-N 1 1 361.446 0.486 20 5 FCBDMO C[C@H](Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)[C@@H]1C[N@@H+](C)CCN1C ZINC001120959483 1222133535 /nfs/dbraw/zinc/13/35/35/1222133535.db2.gz JPQLKUYSIIHWAA-ZBEGNZNMSA-N 1 1 362.434 0.831 20 5 FCBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCCCc1ccccc1 ZINC001157774861 1223081959 /nfs/dbraw/zinc/08/19/59/1223081959.db2.gz DOTPLHVZKXTERW-HZPDHXFCSA-N 1 1 362.430 0.497 20 5 FCBDMO O=c1cc(CNc2cc([N+](=O)[O-])c3nccn3c2)nc2n1CCC[NH2+]C2 ZINC001163117968 1223226444 /nfs/dbraw/zinc/22/64/44/1223226444.db2.gz KKPQRALXYCYNLN-UHFFFAOYSA-N 1 1 355.358 0.905 20 5 FCBDMO Cc1cc(NC(=O)C[NH2+]CC2(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)on1 ZINC001164491070 1223239354 /nfs/dbraw/zinc/23/93/54/1223239354.db2.gz ZMGBVTLTLSHBIN-VXGBXAGGSA-N 1 1 365.390 0.463 20 5 FCBDMO Cc1cc(NC(=O)C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)no1 ZINC001205223548 1223317953 /nfs/dbraw/zinc/31/79/53/1223317953.db2.gz DWWXENGBGTYKFT-CHWSQXEVSA-N 1 1 365.390 0.415 20 5 FCBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000765551719 1245302426 /nfs/dbraw/zinc/30/24/26/1245302426.db2.gz HAXNQNNSWYDUJA-CYBMUJFWSA-N 1 1 358.402 0.985 20 5 FCBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2CC[NH+](CC(N)=O)CC2)c1 ZINC000915271363 1245519453 /nfs/dbraw/zinc/51/94/53/1245519453.db2.gz GWUGJRFAAGJCTE-UHFFFAOYSA-N 1 1 364.402 0.738 20 5 FCBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000920906415 1245633720 /nfs/dbraw/zinc/63/37/20/1245633720.db2.gz CUYQDDDNLVTHDC-GFCCVEGCSA-N 1 1 367.406 0.586 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2cn(CC3CC3)nn2)CC1 ZINC000997772604 1251699788 /nfs/dbraw/zinc/69/97/88/1251699788.db2.gz OYQFYIJEDOZPEH-HZPDHXFCSA-N 1 1 362.434 0.682 20 5 FCBDMO Cn1cc(CC[NH+]2CCC(C3(NC(=O)[C@@H]4CC4[N+](=O)[O-])CC3)CC2)cn1 ZINC001000151515 1252268973 /nfs/dbraw/zinc/26/89/73/1252268973.db2.gz XKPCZSHCRGEWGX-HZPDHXFCSA-N 1 1 361.446 0.989 20 5 FCBDMO Cc1c(C(=O)NCC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)ccc2c[nH+]cn21 ZINC001002982597 1252752368 /nfs/dbraw/zinc/75/23/68/1252752368.db2.gz XEAKEELFHJWBHD-HUUCEWRRSA-N 1 1 357.370 0.496 20 5 FCBDMO Cc1ncc([N+](=O)[O-])cc1Nc1cc(N2CC[NH+](CCO)CC2)ncn1 ZINC001249546732 1259723616 /nfs/dbraw/zinc/72/36/16/1259723616.db2.gz QUHWGVSBXIODGP-UHFFFAOYSA-N 1 1 359.390 0.946 20 5 FCBDMO CC(=O)N1CC(=O)NC[C@]12CC[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254555932 1259890192 /nfs/dbraw/zinc/89/01/92/1259890192.db2.gz JQEFHAVBYSFXCK-UGSOOPFHSA-N 1 1 360.414 0.949 20 5 FCBDMO CC(=O)N1CC(=O)NC[C@]12CC[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254596769 1259890267 /nfs/dbraw/zinc/89/02/67/1259890267.db2.gz RFNZRAXDQFAOQO-AEFFLSMTSA-N 1 1 358.398 0.485 20 5 FCBDMO CNC(=O)C1([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCOCC1 ZINC001308082889 1263210815 /nfs/dbraw/zinc/21/08/15/1263210815.db2.gz MOHKENSIKFYKDY-UHFFFAOYSA-N 1 1 362.386 0.369 20 5 FCBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC001322646989 1264234306 /nfs/dbraw/zinc/23/43/06/1264234306.db2.gz UQRSTTUEYJRNNF-UHFFFAOYSA-N 1 1 360.414 0.808 20 5 FCBDMO CN1CC[NH+](Cc2cccc(CNC(=O)c3c[nH]nc3[N+](=O)[O-])c2)CC1 ZINC001322721042 1264249800 /nfs/dbraw/zinc/24/98/00/1264249800.db2.gz SNTZJBJWTPINNY-UHFFFAOYSA-N 1 1 358.402 0.995 20 5 FCBDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001323245661 1264376219 /nfs/dbraw/zinc/37/62/19/1264376219.db2.gz IQWLHTMJWPLALE-CQSZACIVSA-N 1 1 362.386 0.274 20 5 FCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001324092493 1264574431 /nfs/dbraw/zinc/57/44/31/1264574431.db2.gz RDSGXLKZQNONAW-DOMZBBRYSA-N 1 1 360.414 0.852 20 5 FCBDMO C[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC001327742696 1265410807 /nfs/dbraw/zinc/41/08/07/1265410807.db2.gz VZCFHXGGOBLETR-WFASDCNBSA-N 1 1 363.418 0.134 20 5 FCBDMO CCOCCCn1c(C[N+](=O)[O-])nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001343204106 1269813507 /nfs/dbraw/zinc/81/35/07/1269813507.db2.gz NAPJOLYISVHQPF-CQSZACIVSA-N 1 1 368.438 0.392 20 5 FCBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001578874063 1276403521 /nfs/dbraw/zinc/40/35/21/1276403521.db2.gz IEWMHVCHGUUYSU-NXEZZACHSA-N 1 1 357.388 0.752 20 5 FCBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1)[C@H]1C[N@@H+](C)CCN1C ZINC001603684067 1287469076 /nfs/dbraw/zinc/46/90/76/1287469076.db2.gz UHSMQWQKXBNHTI-BXKDBHETSA-N 1 1 361.410 0.403 20 5 FCBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1)[C@H]1CN(C)CC[N@@H+]1C ZINC001603684067 1287469078 /nfs/dbraw/zinc/46/90/78/1287469078.db2.gz UHSMQWQKXBNHTI-BXKDBHETSA-N 1 1 361.410 0.403 20 5 FCBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1)[C@H]1CN(C)CC[N@H+]1C ZINC001603684067 1287469083 /nfs/dbraw/zinc/46/90/83/1287469083.db2.gz UHSMQWQKXBNHTI-BXKDBHETSA-N 1 1 361.410 0.403 20 5 FCBDMO O=C(NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001593018378 1285900187 /nfs/dbraw/zinc/90/01/87/1285900187.db2.gz WZNQSULUGKQOMO-ZIAGYGMSSA-N 1 1 371.401 0.660 20 5 FCBDMO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001593407749 1286130812 /nfs/dbraw/zinc/13/08/12/1286130812.db2.gz NXLWLNYWGJPQNT-ZDUSSCGKSA-N 1 1 372.389 0.765 20 5 FCBDMO O=C1NCCN1[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001593407749 1286130819 /nfs/dbraw/zinc/13/08/19/1286130819.db2.gz NXLWLNYWGJPQNT-ZDUSSCGKSA-N 1 1 372.389 0.765 20 5 FCBDMO COC(=O)[C@H]1CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC001609297264 1289067543 /nfs/dbraw/zinc/06/75/43/1289067543.db2.gz JGKBYDJSTZLRMU-LLVKDONJSA-N 1 1 361.362 0.316 20 5 FCBDMO C[C@@H]1CN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC001609376227 1289128109 /nfs/dbraw/zinc/12/81/09/1289128109.db2.gz DRDYPZMMPAZSOD-TXEJJXNPSA-N 1 1 361.406 0.662 20 5 FCBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001606882874 1288546501 /nfs/dbraw/zinc/54/65/01/1288546501.db2.gz VVZOQRKUVNWJIW-ZMJPVWNMSA-N 1 1 357.374 0.269 20 5 FCBDMO O=C1CC[C@H]2C[N@@H+](Cc3c(-c4nn[nH]n4)cccc3[N+](=O)[O-])CC[C@H]2N1 ZINC001607043795 1288612441 /nfs/dbraw/zinc/61/24/41/1288612441.db2.gz KKHWPGDJZDFVLZ-GXFFZTMASA-N 1 1 357.374 0.875 20 5 FCBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCn1cnc(-c2nn[nH]n2)n1 ZINC001609111664 1288926918 /nfs/dbraw/zinc/92/69/18/1288926918.db2.gz CBBYMUDUSWFBFL-LLVKDONJSA-N 1 1 357.378 0.977 20 5 FCBDMO Nc1nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164741432 720719367 /nfs/dbraw/zinc/71/93/67/720719367.db2.gz TUMXVNVCQFBLRG-RYUDHWBXSA-N 1 1 357.374 0.704 20 5 FCBDMO Nc1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745267 720754142 /nfs/dbraw/zinc/75/41/42/720754142.db2.gz ULPKAYHEYNFNAZ-CHWSQXEVSA-N 1 1 357.374 0.704 20 5 FCBDMO Cc1nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164752758 720796803 /nfs/dbraw/zinc/79/68/03/720796803.db2.gz ZRUPNYLOWOGEAG-OLZOCXBDSA-N 1 1 357.374 0.825 20 5 FCBDMO COCC[N@H+]1CCO[C@@H]2CN(c3c(C)c([N+](=O)[O-])cc[n+]3[O-])CC[C@H]2C1 ZINC001164859571 720864191 /nfs/dbraw/zinc/86/41/91/720864191.db2.gz UOOUEWYEJDVOTB-GOEBONIOSA-N 1 1 366.418 0.710 20 5 FCBDMO CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CC[NH+]1CCCCC1 ZINC001067391847 837457387 /nfs/dbraw/zinc/45/73/87/837457387.db2.gz IUOJYQGZYVGQPN-HUUCEWRRSA-N 1 1 354.451 0.835 20 5 FCBDMO Cc1csc(=O)n1CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072725519 837743213 /nfs/dbraw/zinc/74/32/13/837743213.db2.gz NYOYUYMWNMASQU-CHWSQXEVSA-N 1 1 366.443 0.418 20 5 FCBDMO Cc1csc(=O)n1CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001072725519 837743221 /nfs/dbraw/zinc/74/32/21/837743221.db2.gz NYOYUYMWNMASQU-CHWSQXEVSA-N 1 1 366.443 0.418 20 5 FCBDMO Cc1csc(=O)n1CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001072725519 837743231 /nfs/dbraw/zinc/74/32/31/837743231.db2.gz NYOYUYMWNMASQU-CHWSQXEVSA-N 1 1 366.443 0.418 20 5 FCBDMO C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000748344523 836295956 /nfs/dbraw/zinc/29/59/56/836295956.db2.gz CGUWGZNALZBOKF-LBPRGKRZSA-N 1 1 370.431 0.378 20 5 FCBDMO C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000748344523 836295964 /nfs/dbraw/zinc/29/59/64/836295964.db2.gz CGUWGZNALZBOKF-LBPRGKRZSA-N 1 1 370.431 0.378 20 5 FCBDMO Cc1csc(=O)n1CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086084368 842119754 /nfs/dbraw/zinc/11/97/54/842119754.db2.gz OJWOZYUROHWKNX-YVECIDJPSA-N 1 1 354.432 0.368 20 5 FCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@@H+](CCO)Cc2cncs2)CC1 ZINC001098365968 843911233 /nfs/dbraw/zinc/91/12/33/843911233.db2.gz SDHKFSJRYGUOEG-ZIAGYGMSSA-N 1 1 354.432 0.594 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@H+](CCO)Cc2cncs2)CC1 ZINC001098365968 843911236 /nfs/dbraw/zinc/91/12/36/843911236.db2.gz SDHKFSJRYGUOEG-ZIAGYGMSSA-N 1 1 354.432 0.594 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@@H+](CCO)Cc2cncs2)CC1 ZINC001098365968 843911240 /nfs/dbraw/zinc/91/12/40/843911240.db2.gz SDHKFSJRYGUOEG-ZIAGYGMSSA-N 1 1 354.432 0.594 20 5 FCBDMO CCCCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001121081436 848315781 /nfs/dbraw/zinc/31/57/81/848315781.db2.gz NDPRWAAPPKSESK-FZOOGMQUSA-N 1 1 352.435 0.585 20 5 FCBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCCCC1CCCCC1 ZINC001126936226 848713742 /nfs/dbraw/zinc/71/37/42/848713742.db2.gz BTGGUZFDYNVTCK-HUUCEWRRSA-N 1 1 354.451 0.834 20 5 FCBDMO CCS(=O)(=O)N1CCN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)CC1 ZINC001154807899 849816136 /nfs/dbraw/zinc/81/61/36/849816136.db2.gz KHASZNUEOCVUJD-AATRIKPKSA-N 1 1 369.447 0.994 20 5 FCBDMO COc1ccc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001157767102 849992182 /nfs/dbraw/zinc/99/21/82/849992182.db2.gz HMSUTMWLUNVIMN-ZIAGYGMSSA-N 1 1 350.375 0.395 20 5 FCBDMO CCN(C(C)=O)c1nc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC001157775585 849994354 /nfs/dbraw/zinc/99/43/54/849994354.db2.gz RFJHVUASPSTLNZ-CHWSQXEVSA-N 1 1 369.447 0.777 20 5 FCBDMO COc1nc(N2CCN(CC3CC[NH+](C)CC3)CC2)ncc1[N+](=O)[O-] ZINC001157837219 849998510 /nfs/dbraw/zinc/99/85/10/849998510.db2.gz QAGKJRHNBCUDRH-UHFFFAOYSA-N 1 1 350.423 0.857 20 5 FCBDMO COC(=O)c1nc(Cl)nc(N2CC([N@@H+](C)[C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001158724991 850070529 /nfs/dbraw/zinc/07/05/29/850070529.db2.gz CGWMSCTVGJPSSX-QMMMGPOBSA-N 1 1 371.781 0.734 20 5 FCBDMO COC(=O)c1nc(Cl)nc(N2CCC([NH3+])(C(=O)OC)CC2)c1[N+](=O)[O-] ZINC001166795511 850503700 /nfs/dbraw/zinc/50/37/00/850503700.db2.gz VLTXOWNMBBOMML-UHFFFAOYSA-N 1 1 373.753 0.296 20 5 FCBDMO COC(=O)C(C(=O)OC)c1ncc(N[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001167275731 850539375 /nfs/dbraw/zinc/53/93/75/850539375.db2.gz WEKAXSDOQXIBHW-VIFPVBQESA-N 1 1 352.347 0.535 20 5 FCBDMO CNC(=O)CN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169017515 850602076 /nfs/dbraw/zinc/60/20/76/850602076.db2.gz AEVRQZZKTQEDFF-KEYYUXOJSA-N 1 1 352.435 0.635 20 5 FCBDMO CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169020167 850602382 /nfs/dbraw/zinc/60/23/82/850602382.db2.gz KBVPHRRVMCQBRZ-OWVAZHOYSA-N 1 1 355.435 0.768 20 5 FCBDMO CC(=O)N1CC2(C1)C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C[C@H]2C(=O)N(C)C ZINC001169054604 850603977 /nfs/dbraw/zinc/60/39/77/850603977.db2.gz MSYNDQARIBXCLX-ZNMIVQPWSA-N 1 1 352.435 0.300 20 5 FCBDMO CC(=O)N1CC2(C1)C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C[C@@H]2C(=O)N(C)C ZINC001169054600 850604372 /nfs/dbraw/zinc/60/43/72/850604372.db2.gz MSYNDQARIBXCLX-RBSFLKMASA-N 1 1 352.435 0.300 20 5 FCBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+]Cc2ncon2)CC1 ZINC001173689334 850733058 /nfs/dbraw/zinc/73/30/58/850733058.db2.gz DSJNDHNMFOYNTI-UHFFFAOYSA-N 1 1 367.387 0.921 20 5 FCBDMO CC(C)NC(=O)NCC[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178463733 850900716 /nfs/dbraw/zinc/90/07/16/850900716.db2.gz JVVVDJFDWZBICJ-ZIAGYGMSSA-N 1 1 357.455 0.625 20 5 FCBDMO O=C(C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)Nc1nccs1 ZINC001200461804 853499426 /nfs/dbraw/zinc/49/94/26/853499426.db2.gz KXKVKNZPANUIFU-GHMZBOCLSA-N 1 1 353.404 0.327 20 5 FCBDMO CC(C)(C)NC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001227258335 857152757 /nfs/dbraw/zinc/15/27/57/857152757.db2.gz OIQXUYJPPVJABC-CHWSQXEVSA-N 1 1 355.439 0.330 20 5 FCBDMO O=C(CC[N@@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC001308121805 866701512 /nfs/dbraw/zinc/70/15/12/866701512.db2.gz TXEOOSGPXWACQW-TXEJJXNPSA-N 1 1 353.400 0.900 20 5 FCBDMO C[NH+](C)C1(CS(=O)(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)CC1 ZINC001309760531 866885111 /nfs/dbraw/zinc/88/51/11/866885111.db2.gz HTOCZRXGDVJTIN-AWEZNQCLSA-N 1 1 357.432 0.816 20 5 FCBDMO C[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC001353287704 867388924 /nfs/dbraw/zinc/38/89/24/867388924.db2.gz LQZAYOLSMVIBMV-GDBMZVCRSA-N 1 1 352.435 0.560 20 5 FCBDMO C[C@@H](NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC001321513104 868500067 /nfs/dbraw/zinc/50/00/67/868500067.db2.gz RXWGSFNXFDQNLS-RISCZKNCSA-N 1 1 350.375 0.046 20 5 FCBDMO C[C@@H](NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC001321513104 868500076 /nfs/dbraw/zinc/50/00/76/868500076.db2.gz RXWGSFNXFDQNLS-RISCZKNCSA-N 1 1 350.375 0.046 20 5 FCBDMO 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C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000413431032 530067684 /nfs/dbraw/zinc/06/76/84/530067684.db2.gz AJCKIETUHQTYTJ-JKSUJKDBSA-N 1 1 360.414 0.979 20 5 FCBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000265350300 210103234 /nfs/dbraw/zinc/10/32/34/210103234.db2.gz XFCSUUOURMVJOO-LBPRGKRZSA-N 1 1 374.397 0.991 20 5 FCBDMO CC(C)[N@@H+](C)CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000265354605 210105501 /nfs/dbraw/zinc/10/55/01/210105501.db2.gz KTOPHHKURIVMLE-UHFFFAOYSA-N 1 1 358.420 0.330 20 5 FCBDMO C[N@H+]1CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000331509551 215007345 /nfs/dbraw/zinc/00/73/45/215007345.db2.gz MCTVEHSWBABNIC-UHFFFAOYSA-N 1 1 370.431 0.427 20 5 FCBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000265138425 210062591 /nfs/dbraw/zinc/06/25/91/210062591.db2.gz UYCAGUKTCKAMHB-UHFFFAOYSA-N 1 1 359.386 0.970 20 5 FCBDMO CN(C)c1[nH+]cc(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])n1C 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/nfs/dbraw/zinc/49/77/95/488497795.db2.gz YVWWDVPSYVNYCJ-CQSZACIVSA-N 1 1 366.466 0.916 20 5 FCBDMO COCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H](C)C(N)=O ZINC000269408914 488500069 /nfs/dbraw/zinc/50/00/69/488500069.db2.gz FSKSPWHLCJFWBC-LLVKDONJSA-N 1 1 368.390 0.754 20 5 FCBDMO Cn1cc([C@@H]2CSCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000248702290 488501054 /nfs/dbraw/zinc/50/10/54/488501054.db2.gz FUSOUOMWUDLKPD-KGLIPLIRSA-N 1 1 352.420 0.676 20 5 FCBDMO Cn1cc([C@@H]2CSCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000248702290 488501055 /nfs/dbraw/zinc/50/10/55/488501055.db2.gz FUSOUOMWUDLKPD-KGLIPLIRSA-N 1 1 352.420 0.676 20 5 FCBDMO C[C@H](O)C[N@H+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248827902 488503265 /nfs/dbraw/zinc/50/32/65/488503265.db2.gz HDJOWKNSSQITJM-SOUVJXGZSA-N 1 1 353.419 0.721 20 5 FCBDMO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000563010794 491207552 /nfs/dbraw/zinc/20/75/52/491207552.db2.gz ILUJKYDBIMNOLU-GXFFZTMASA-N 1 1 362.429 0.391 20 5 FCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)[C@@H](C)C1 ZINC000271653966 488535311 /nfs/dbraw/zinc/53/53/11/488535311.db2.gz ISJNVYKSYUYFDX-NSHDSACASA-N 1 1 353.379 0.196 20 5 FCBDMO COC(=O)CC[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)[C@@H](C)C1 ZINC000271653966 488535312 /nfs/dbraw/zinc/53/53/12/488535312.db2.gz ISJNVYKSYUYFDX-NSHDSACASA-N 1 1 353.379 0.196 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000116344356 488547261 /nfs/dbraw/zinc/54/72/61/488547261.db2.gz BBUSMUGLLNDMIW-AWEZNQCLSA-N 1 1 351.407 0.813 20 5 FCBDMO CNC(=O)[C@H]1C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000272858413 488611916 /nfs/dbraw/zinc/61/19/16/488611916.db2.gz LNVJVDDIZWOZFH-CQSZACIVSA-N 1 1 366.374 0.379 20 5 FCBDMO CNC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000272858413 488611917 /nfs/dbraw/zinc/61/19/17/488611917.db2.gz LNVJVDDIZWOZFH-CQSZACIVSA-N 1 1 366.374 0.379 20 5 FCBDMO CNC(=O)[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000272897723 488614978 /nfs/dbraw/zinc/61/49/78/488614978.db2.gz OYGBFKBEPCRLGF-CQSZACIVSA-N 1 1 366.374 0.379 20 5 FCBDMO CNC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000272897723 488614980 /nfs/dbraw/zinc/61/49/80/488614980.db2.gz OYGBFKBEPCRLGF-CQSZACIVSA-N 1 1 366.374 0.379 20 5 FCBDMO Cc1nn(C)c(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000263731015 488622342 /nfs/dbraw/zinc/62/23/42/488622342.db2.gz PWIXOQUPMWSRSW-UHFFFAOYSA-N 1 1 350.423 0.771 20 5 FCBDMO Cc1nn(C)c(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000263731015 488622343 /nfs/dbraw/zinc/62/23/43/488622343.db2.gz PWIXOQUPMWSRSW-UHFFFAOYSA-N 1 1 350.423 0.771 20 5 FCBDMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272991721 488623087 /nfs/dbraw/zinc/62/30/87/488623087.db2.gz NDGNXTGKXWVQMQ-INIZCTEOSA-N 1 1 362.386 0.926 20 5 FCBDMO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CC(F)(F)F ZINC000128376217 488624474 /nfs/dbraw/zinc/62/44/74/488624474.db2.gz BGBZAMKAABFZDI-PWSUYJOCSA-N 1 1 351.329 0.721 20 5 FCBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CC(F)(F)F ZINC000128376217 488624477 /nfs/dbraw/zinc/62/44/77/488624477.db2.gz BGBZAMKAABFZDI-PWSUYJOCSA-N 1 1 351.329 0.721 20 5 FCBDMO CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273241360 488639817 /nfs/dbraw/zinc/63/98/17/488639817.db2.gz XIRQHCMRSYHBGI-STQMWFEESA-N 1 1 373.431 0.348 20 5 FCBDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273241360 488639819 /nfs/dbraw/zinc/63/98/19/488639819.db2.gz XIRQHCMRSYHBGI-STQMWFEESA-N 1 1 373.431 0.348 20 5 FCBDMO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000273349774 488645388 /nfs/dbraw/zinc/64/53/88/488645388.db2.gz OZVPZCZAWBRJMJ-QWHCGFSZSA-N 1 1 358.416 0.844 20 5 FCBDMO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000273349774 488645389 /nfs/dbraw/zinc/64/53/89/488645389.db2.gz OZVPZCZAWBRJMJ-QWHCGFSZSA-N 1 1 358.416 0.844 20 5 FCBDMO CN1CC[NH+](CCCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000273363399 488646381 /nfs/dbraw/zinc/64/63/81/488646381.db2.gz BGNLQHCGEQDQQF-UHFFFAOYSA-N 1 1 364.402 0.733 20 5 FCBDMO NS(=O)(=O)c1c(NC[C@@H]2CCC[N@H+]2CCCO)cccc1[N+](=O)[O-] ZINC000570016172 491210092 /nfs/dbraw/zinc/21/00/92/491210092.db2.gz YOWZPLLXJYODEC-NSHDSACASA-N 1 1 358.420 0.501 20 5 FCBDMO CC(C)OCC[NH+]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000273467229 488653329 /nfs/dbraw/zinc/65/33/29/488653329.db2.gz JMIJCCBYIZBOHY-UHFFFAOYSA-N 1 1 372.447 0.789 20 5 FCBDMO CC(C)[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000133046880 488656983 /nfs/dbraw/zinc/65/69/83/488656983.db2.gz VXLCBQFOURHZFC-AWEZNQCLSA-N 1 1 354.411 0.447 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273535107 488657453 /nfs/dbraw/zinc/65/74/53/488657453.db2.gz CUTWEDMZKDJOBL-CQSZACIVSA-N 1 1 370.431 0.354 20 5 FCBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273535107 488657454 /nfs/dbraw/zinc/65/74/54/488657454.db2.gz CUTWEDMZKDJOBL-CQSZACIVSA-N 1 1 370.431 0.354 20 5 FCBDMO CC(C)(C(=O)NCCCC[N@H+]1CCC[C@H]1CO)n1cc([N+](=O)[O-])cn1 ZINC000134002731 488663672 /nfs/dbraw/zinc/66/36/72/488663672.db2.gz UUIWEUCZSDSLEE-ZDUSSCGKSA-N 1 1 353.423 0.880 20 5 FCBDMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000273706645 488667945 /nfs/dbraw/zinc/66/79/45/488667945.db2.gz DPUDFAQSDHCRMA-UHFFFAOYSA-N 1 1 351.388 0.839 20 5 FCBDMO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000264519258 488681576 /nfs/dbraw/zinc/68/15/76/488681576.db2.gz LXWUVPGUCBZTEK-GFCCVEGCSA-N 1 1 358.420 0.479 20 5 FCBDMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000264562014 488685453 /nfs/dbraw/zinc/68/54/53/488685453.db2.gz VAEPFSNZUGGCAV-LBPRGKRZSA-N 1 1 358.420 0.479 20 5 FCBDMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000142259318 488689629 /nfs/dbraw/zinc/68/96/29/488689629.db2.gz SAIDARDBSXKJDN-LBPRGKRZSA-N 1 1 372.381 0.888 20 5 FCBDMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000264613731 488690858 /nfs/dbraw/zinc/69/08/58/488690858.db2.gz HIPDOIVSKPMJFO-NSHDSACASA-N 1 1 372.381 0.791 20 5 FCBDMO CCc1n[nH]c(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000264683573 488698242 /nfs/dbraw/zinc/69/82/42/488698242.db2.gz QJHRLCUOGDCQKH-LBPRGKRZSA-N 1 1 366.422 0.553 20 5 FCBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000151618636 488707769 /nfs/dbraw/zinc/70/77/69/488707769.db2.gz DMOCOPQCGPFGDJ-CQSZACIVSA-N 1 1 361.402 0.437 20 5 FCBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000152590105 488719709 /nfs/dbraw/zinc/71/97/09/488719709.db2.gz DZPJNWCHACLFPJ-INIZCTEOSA-N 1 1 360.414 0.902 20 5 FCBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000152694937 488721533 /nfs/dbraw/zinc/72/15/33/488721533.db2.gz HPLDLAGRMXMVNF-AWEZNQCLSA-N 1 1 361.402 0.556 20 5 FCBDMO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000153183921 488728165 /nfs/dbraw/zinc/72/81/65/488728165.db2.gz GWTRVRUHHIUFBK-UHFFFAOYSA-N 1 1 360.374 0.539 20 5 FCBDMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000266877437 488739692 /nfs/dbraw/zinc/73/96/92/488739692.db2.gz BMZDYLKVUSUZEF-LBPRGKRZSA-N 1 1 353.379 0.277 20 5 FCBDMO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000275071751 488758747 /nfs/dbraw/zinc/75/87/47/488758747.db2.gz AJUFGVUNBXVIDD-MWLCHTKSSA-N 1 1 365.312 0.153 20 5 FCBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000563198853 491226555 /nfs/dbraw/zinc/22/65/55/491226555.db2.gz BJAYPKIWNRSTDS-UHFFFAOYSA-N 1 1 359.386 0.970 20 5 FCBDMO CN(C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000280857794 489036268 /nfs/dbraw/zinc/03/62/68/489036268.db2.gz DAXAWRWBUSOPEZ-LBPRGKRZSA-N 1 1 370.431 0.426 20 5 FCBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000281677524 489097232 /nfs/dbraw/zinc/09/72/32/489097232.db2.gz MMQRDPLTTLEVLP-NSHDSACASA-N 1 1 350.375 1.000 20 5 FCBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@H](C)C1 ZINC000281742257 489102241 /nfs/dbraw/zinc/10/22/41/489102241.db2.gz YOWIVIDYCPDYCN-MNOVXSKESA-N 1 1 351.359 0.851 20 5 FCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@H](C)C1 ZINC000281742257 489102242 /nfs/dbraw/zinc/10/22/42/489102242.db2.gz YOWIVIDYCPDYCN-MNOVXSKESA-N 1 1 351.359 0.851 20 5 FCBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000282335264 489155457 /nfs/dbraw/zinc/15/54/57/489155457.db2.gz DJECSAIWKZBKAT-UHFFFAOYSA-N 1 1 368.365 0.819 20 5 FCBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC[N@H+]1CCCOCC1 ZINC000282335264 489155458 /nfs/dbraw/zinc/15/54/58/489155458.db2.gz DJECSAIWKZBKAT-UHFFFAOYSA-N 1 1 368.365 0.819 20 5 FCBDMO COc1ccc(NC(=O)CN2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 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VSJZGNQRJSSBJK-GFCCVEGCSA-N 1 1 352.391 0.540 20 5 FCBDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000361751856 489365299 /nfs/dbraw/zinc/36/52/99/489365299.db2.gz QBNOLQDFUCDWFV-CYBMUJFWSA-N 1 1 370.431 0.855 20 5 FCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000370545835 489372696 /nfs/dbraw/zinc/37/26/96/489372696.db2.gz IUGGHLKWPKLPJH-CABCVRRESA-N 1 1 364.402 0.516 20 5 FCBDMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298876906 489376869 /nfs/dbraw/zinc/37/68/69/489376869.db2.gz PZDGBUVVFBADFI-UHFFFAOYSA-N 1 1 359.390 0.655 20 5 FCBDMO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000362932103 489406189 /nfs/dbraw/zinc/40/61/89/489406189.db2.gz NNVRWGAHTHYCTI-ZIAGYGMSSA-N 1 1 362.386 0.821 20 5 FCBDMO Cc1n[nH]c(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000299585071 489459081 /nfs/dbraw/zinc/45/90/81/489459081.db2.gz PMAAXOIOFPTFSZ-UHFFFAOYSA-N 1 1 373.417 0.963 20 5 FCBDMO 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/nfs/dbraw/zinc/72/37/81/490723781.db2.gz XFAHLNUPAMVURK-CMPLNLGQSA-N 1 1 374.401 0.686 20 5 FCBDMO CN1CCN(C(=O)CC[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000514085812 490761899 /nfs/dbraw/zinc/76/18/99/490761899.db2.gz ZDBKJBGARBCJGX-AWEZNQCLSA-N 1 1 362.434 0.640 20 5 FCBDMO CC(C)CN1C[C@@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCN2C1=O ZINC000488725475 490773938 /nfs/dbraw/zinc/77/39/38/490773938.db2.gz UFVFSLRJUDJMFN-LSDHHAIUSA-N 1 1 366.422 0.230 20 5 FCBDMO CC(C)CN1C[C@@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCN2C1=O ZINC000488725475 490773940 /nfs/dbraw/zinc/77/39/40/490773940.db2.gz UFVFSLRJUDJMFN-LSDHHAIUSA-N 1 1 366.422 0.230 20 5 FCBDMO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000506176059 490854031 /nfs/dbraw/zinc/85/40/31/490854031.db2.gz WLTHKJMFFUVKCB-NSHDSACASA-N 1 1 350.375 0.618 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000506176059 490854032 /nfs/dbraw/zinc/85/40/32/490854032.db2.gz WLTHKJMFFUVKCB-NSHDSACASA-N 1 1 350.375 0.618 20 5 FCBDMO C[C@@](O)(CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C[NH+]1CCOCC1 ZINC000542714691 490905360 /nfs/dbraw/zinc/90/53/60/490905360.db2.gz QYGKCNAYZAGIMA-OAHLLOKOSA-N 1 1 356.354 0.939 20 5 FCBDMO C[C@@H]1C[NH+](C[C@H](O)Cn2cnc3sc([N+](=O)[O-])cc3c2=O)C[C@@H](C)O1 ZINC000517567122 490912407 /nfs/dbraw/zinc/91/24/07/490912407.db2.gz ARRIBXPHSCGMJG-MXWKQRLJSA-N 1 1 368.415 0.836 20 5 FCBDMO CN1CC[NH+](CCCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000518003239 490928209 /nfs/dbraw/zinc/92/82/09/490928209.db2.gz OKVTWATTWDNKTN-UHFFFAOYSA-N 1 1 350.375 0.691 20 5 FCBDMO O=C1CC2(CN1)CC[NH+]([C@@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000530966593 490933896 /nfs/dbraw/zinc/93/38/96/490933896.db2.gz VLHIKSOYTVVQEF-CQSZACIVSA-N 1 1 372.381 0.829 20 5 FCBDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000543725314 490943902 /nfs/dbraw/zinc/94/39/02/490943902.db2.gz MOWDLMNYJOMENX-UHFFFAOYSA-N 1 1 372.491 0.892 20 5 FCBDMO CCCc1[nH]nc(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1[N+](=O)[O-] ZINC000519599132 490978455 /nfs/dbraw/zinc/97/84/55/490978455.db2.gz HQRMNRAGLWYTAQ-NSHDSACASA-N 1 1 362.394 0.798 20 5 FCBDMO COC[C@@H](C)OC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000562489985 491169964 /nfs/dbraw/zinc/16/99/64/491169964.db2.gz QWIBOAJDZYVDMY-HIFRSBDPSA-N 1 1 354.407 0.524 20 5 FCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H](O)CN2CCCCC2)cc1 ZINC000573248832 491422488 /nfs/dbraw/zinc/42/24/88/491422488.db2.gz JYKRUAIKKKGPGH-OAHLLOKOSA-N 1 1 371.459 0.805 20 5 FCBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000573556554 491440128 /nfs/dbraw/zinc/44/01/28/491440128.db2.gz SLSLPAXTWYXFOY-GFCCVEGCSA-N 1 1 359.342 0.844 20 5 FCBDMO CCC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)N(C)C1=O ZINC000566808879 491468205 /nfs/dbraw/zinc/46/82/05/491468205.db2.gz FIYSUXYYPFJREC-ZFWWWQNUSA-N 1 1 365.386 0.804 20 5 FCBDMO C[C@@H]1COCC[N@@H+]1C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000559640859 491488913 /nfs/dbraw/zinc/48/89/13/491488913.db2.gz SSQYJUMVKYCPPN-CJNGLKHVSA-N 1 1 353.423 0.337 20 5 FCBDMO C[C@@H]1COCC[N@H+]1C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000559640859 491488914 /nfs/dbraw/zinc/48/89/14/491488914.db2.gz SSQYJUMVKYCPPN-CJNGLKHVSA-N 1 1 353.423 0.337 20 5 FCBDMO CCc1ccc(S(=O)(=O)NCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000567774520 491528438 /nfs/dbraw/zinc/52/84/38/491528438.db2.gz LTXPVMOFSKYOPC-UHFFFAOYSA-N 1 1 357.432 0.892 20 5 FCBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000578846111 491685640 /nfs/dbraw/zinc/68/56/40/491685640.db2.gz IMFRZBLKWKIGGU-NSHDSACASA-N 1 1 351.359 0.900 20 5 FCBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000584865404 491717966 /nfs/dbraw/zinc/71/79/66/491717966.db2.gz VNOOABSNRQGTSM-UHFFFAOYSA-N 1 1 358.358 0.397 20 5 FCBDMO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C ZINC000588224627 491742269 /nfs/dbraw/zinc/74/22/69/491742269.db2.gz ZIWSTGVBKLHLTR-MNOVXSKESA-N 1 1 374.401 0.686 20 5 FCBDMO C[C@H](O)C[N@H+]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000589115416 491755817 /nfs/dbraw/zinc/75/58/17/491755817.db2.gz ZPDAYBQPLAPNPA-QWRGUYRKSA-N 1 1 358.420 0.134 20 5 FCBDMO Nc1ccc(NCCC[NH+]2CCN(c3ncccn3)CC2)nc1[N+](=O)[O-] ZINC000590570571 491779875 /nfs/dbraw/zinc/77/98/75/491779875.db2.gz XCQCFKNWGOVNIG-UHFFFAOYSA-N 1 1 358.406 0.986 20 5 FCBDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000595111737 491884983 /nfs/dbraw/zinc/88/49/83/491884983.db2.gz MTXQFRNRAKWSQJ-ZDUSSCGKSA-N 1 1 371.415 0.737 20 5 FCBDMO C[C@@H](Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000596114690 491975985 /nfs/dbraw/zinc/97/59/85/491975985.db2.gz MXLJHUOXRLNKIR-MNOVXSKESA-N 1 1 358.420 0.763 20 5 FCBDMO C[C@@H]1C[N@H+](CCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000596434422 491985786 /nfs/dbraw/zinc/98/57/86/491985786.db2.gz YDLYASWHUADSDT-WDEREUQCSA-N 1 1 358.420 0.763 20 5 FCBDMO C[C@@H]1C[N@@H+](CCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000596434422 491985788 /nfs/dbraw/zinc/98/57/88/491985788.db2.gz YDLYASWHUADSDT-WDEREUQCSA-N 1 1 358.420 0.763 20 5 FCBDMO Cc1ncc([N+](=O)[O-])n1CCN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000602784729 491998385 /nfs/dbraw/zinc/99/83/85/491998385.db2.gz JMEWRTGKKNEDLV-CQSZACIVSA-N 1 1 350.423 0.338 20 5 FCBDMO CC1=CC[N@@H+](CCNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000597600906 492050791 /nfs/dbraw/zinc/05/07/91/492050791.db2.gz KJLBZMCSMPNWOY-UHFFFAOYSA-N 1 1 368.415 0.624 20 5 FCBDMO CNS(=O)(=O)c1ccc(N2CC[N@H+](CCO)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000614829233 492058292 /nfs/dbraw/zinc/05/82/92/492058292.db2.gz LTEQUWSPYPHFGA-UHFFFAOYSA-N 1 1 372.447 0.396 20 5 FCBDMO CNS(=O)(=O)c1ccc(N2CC[N@@H+](CCO)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000614829233 492058294 /nfs/dbraw/zinc/05/82/94/492058294.db2.gz LTEQUWSPYPHFGA-UHFFFAOYSA-N 1 1 372.447 0.396 20 5 FCBDMO NS(=O)(=O)c1cccc(N2CCC([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000599105750 492135630 /nfs/dbraw/zinc/13/56/30/492135630.db2.gz PZMJUPAPHMTIFH-UHFFFAOYSA-N 1 1 370.431 0.543 20 5 FCBDMO C[N@H+]1CCCC[C@@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609549032 492213496 /nfs/dbraw/zinc/21/34/96/492213496.db2.gz XVSCGLLFUXUBHR-CQSZACIVSA-N 1 1 370.431 0.474 20 5 FCBDMO CCn1ccnc1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000610009912 492231442 /nfs/dbraw/zinc/23/14/42/492231442.db2.gz DLJFDGSQHZBRNZ-UHFFFAOYSA-N 1 1 353.404 0.879 20 5 FCBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000610264967 492241081 /nfs/dbraw/zinc/24/10/81/492241081.db2.gz HAJIIQVYXAQVJW-UHFFFAOYSA-N 1 1 370.431 0.723 20 5 FCBDMO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000610514527 492249846 /nfs/dbraw/zinc/24/98/46/492249846.db2.gz MZPDEBZSNGDBQH-CQSZACIVSA-N 1 1 370.431 0.543 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000600234865 492252346 /nfs/dbraw/zinc/25/23/46/492252346.db2.gz QVXGQXXVMMAIDE-ZDUSSCGKSA-N 1 1 352.366 0.732 20 5 FCBDMO COc1cc(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])cc1F ZINC000600234486 492252416 /nfs/dbraw/zinc/25/24/16/492252416.db2.gz MRDGHDXNJNYWNQ-LBPRGKRZSA-N 1 1 368.365 0.812 20 5 FCBDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000619498477 492266478 /nfs/dbraw/zinc/26/64/78/492266478.db2.gz LHZZJVFTFBDIRX-NSHDSACASA-N 1 1 359.404 0.602 20 5 FCBDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000619498477 492266480 /nfs/dbraw/zinc/26/64/80/492266480.db2.gz LHZZJVFTFBDIRX-NSHDSACASA-N 1 1 359.404 0.602 20 5 FCBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@@H]1C[N@H+](C)CCO1 ZINC000610900575 492267737 /nfs/dbraw/zinc/26/77/37/492267737.db2.gz AYTKZESMGMGALJ-YGRLFVJLSA-N 1 1 351.359 0.815 20 5 FCBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@@H]1C[N@@H+](C)CCO1 ZINC000610900575 492267739 /nfs/dbraw/zinc/26/77/39/492267739.db2.gz AYTKZESMGMGALJ-YGRLFVJLSA-N 1 1 351.359 0.815 20 5 FCBDMO C[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCO1 ZINC000610900850 492267871 /nfs/dbraw/zinc/26/78/71/492267871.db2.gz NDYIPFZTZZYWKG-IUODEOHRSA-N 1 1 364.402 0.550 20 5 FCBDMO C[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000610900850 492267872 /nfs/dbraw/zinc/26/78/72/492267872.db2.gz NDYIPFZTZZYWKG-IUODEOHRSA-N 1 1 364.402 0.550 20 5 FCBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@H]1C[N@H+](C)CCO1 ZINC000610900574 492267914 /nfs/dbraw/zinc/26/79/14/492267914.db2.gz AYTKZESMGMGALJ-QMTHXVAHSA-N 1 1 351.359 0.815 20 5 FCBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@H]1C[N@@H+](C)CCO1 ZINC000610900574 492267915 /nfs/dbraw/zinc/26/79/15/492267915.db2.gz AYTKZESMGMGALJ-QMTHXVAHSA-N 1 1 351.359 0.815 20 5 FCBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000611522645 492289469 /nfs/dbraw/zinc/28/94/69/492289469.db2.gz OWKWSTQWUWLJGF-ZDUSSCGKSA-N 1 1 363.418 0.628 20 5 FCBDMO COc1ccc(NC(=O)CC[N@@H+]2CCOC[C@@H]2CC(N)=O)c([N+](=O)[O-])c1 ZINC000411879482 534065571 /nfs/dbraw/zinc/06/55/71/534065571.db2.gz RYKQBPJWQSMMSG-NSHDSACASA-N 1 1 366.374 0.508 20 5 FCBDMO COc1ccc(NC(=O)CC[N@H+]2CCOC[C@@H]2CC(N)=O)c([N+](=O)[O-])c1 ZINC000411879482 534065580 /nfs/dbraw/zinc/06/55/80/534065580.db2.gz RYKQBPJWQSMMSG-NSHDSACASA-N 1 1 366.374 0.508 20 5 FCBDMO CN(C)c1ncc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1C ZINC000419676740 536161197 /nfs/dbraw/zinc/16/11/97/536161197.db2.gz BRZRFMHMUOWVDW-UHFFFAOYSA-N 1 1 367.431 0.958 20 5 FCBDMO COC(=O)[C@H](O)C1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000441226142 536750433 /nfs/dbraw/zinc/75/04/33/536750433.db2.gz OAWIWBZTZKMXGU-CQSZACIVSA-N 1 1 351.359 0.440 20 5 FCBDMO C[C@H](CN1CCN(C)CC1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591736273 546939262 /nfs/dbraw/zinc/93/92/62/546939262.db2.gz NAKIGLFMBNLALW-CABCVRRESA-N 1 1 352.435 0.560 20 5 FCBDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000592387965 546949489 /nfs/dbraw/zinc/94/94/89/546949489.db2.gz DGDKXLZHTRIKPD-CYBMUJFWSA-N 1 1 371.415 0.737 20 5 FCBDMO COc1cc(OCC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000593854389 546993443 /nfs/dbraw/zinc/99/34/43/546993443.db2.gz JHOYVYAGZAJOLO-GFCCVEGCSA-N 1 1 351.359 0.260 20 5 FCBDMO COc1cc(OCC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000593854389 546993447 /nfs/dbraw/zinc/99/34/47/546993447.db2.gz JHOYVYAGZAJOLO-GFCCVEGCSA-N 1 1 351.359 0.260 20 5 FCBDMO CC[NH+]1CCN(C(=O)CNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000552655670 547326542 /nfs/dbraw/zinc/32/65/42/547326542.db2.gz ZHWYVCULKVOZLO-UHFFFAOYSA-N 1 1 350.375 0.254 20 5 FCBDMO CC[N@@H+]1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000553318543 547328510 /nfs/dbraw/zinc/32/85/10/547328510.db2.gz RZFNJESGIBNERM-SNVBAGLBSA-N 1 1 356.404 0.408 20 5 FCBDMO CC[N@H+]1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000553318543 547328512 /nfs/dbraw/zinc/32/85/12/547328512.db2.gz RZFNJESGIBNERM-SNVBAGLBSA-N 1 1 356.404 0.408 20 5 FCBDMO C[N@@H+](CC(=O)N1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CCC1 ZINC000949080045 674393668 /nfs/dbraw/zinc/39/36/68/674393668.db2.gz WFEIMLOZJXNGBT-HUUCEWRRSA-N 1 1 352.435 0.491 20 5 FCBDMO C[N@H+](CC(=O)N1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CCC1 ZINC000949080045 674393669 /nfs/dbraw/zinc/39/36/69/674393669.db2.gz WFEIMLOZJXNGBT-HUUCEWRRSA-N 1 1 352.435 0.491 20 5 FCBDMO C[N@@H+](CC(=O)N1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CCC1 ZINC000949080045 674393670 /nfs/dbraw/zinc/39/36/70/674393670.db2.gz WFEIMLOZJXNGBT-HUUCEWRRSA-N 1 1 352.435 0.491 20 5 FCBDMO C[C@@H](O)C[N@@H+](C)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736144670 598501969 /nfs/dbraw/zinc/50/19/69/598501969.db2.gz QJGVEKKLPDFSBW-SNVBAGLBSA-N 1 1 362.394 0.451 20 5 FCBDMO C[NH+](C)CCNc1cc(NCC[NH+](C)C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825870570 608291213 /nfs/dbraw/zinc/29/12/13/608291213.db2.gz RYBSETWVZVYLHL-UHFFFAOYSA-N 1 1 363.426 0.722 20 5 FCBDMO C[NH+](C)CCNc1cc(NCC[NH+](C)C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825870570 608291214 /nfs/dbraw/zinc/29/12/14/608291214.db2.gz RYBSETWVZVYLHL-UHFFFAOYSA-N 1 1 363.426 0.722 20 5 FCBDMO CC(C)(C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-])[NH+]1CCCC1 ZINC000976479021 664385801 /nfs/dbraw/zinc/38/58/01/664385801.db2.gz UBMHLRSIZUYERR-RGDJUOJXSA-N 1 1 350.419 0.099 20 5 FCBDMO O=C(NC[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000979759067 664462329 /nfs/dbraw/zinc/46/23/29/664462329.db2.gz ZHTQMQMGTUWCKN-AAVRWANBSA-N 1 1 350.419 0.291 20 5 FCBDMO C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000943699149 666782509 /nfs/dbraw/zinc/78/25/09/666782509.db2.gz OYPMYHSWODUFLK-KBUPBQIOSA-N 1 1 352.435 0.537 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000915354621 666847993 /nfs/dbraw/zinc/84/79/93/666847993.db2.gz OOKNBRJPZVIJMM-UHFFFAOYSA-N 1 1 370.431 0.298 20 5 FCBDMO Cc1cc(S(=O)(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)cc([N+](=O)[O-])c1F ZINC000919999217 667216606 /nfs/dbraw/zinc/21/66/06/667216606.db2.gz FZYBMJUHMXEDOB-BXUZGUMPSA-N 1 1 374.438 0.955 20 5 FCBDMO Cc1cc(S(=O)(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)cc([N+](=O)[O-])c1F ZINC000919999217 667216610 /nfs/dbraw/zinc/21/66/10/667216610.db2.gz FZYBMJUHMXEDOB-BXUZGUMPSA-N 1 1 374.438 0.955 20 5 FCBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000919999130 667216767 /nfs/dbraw/zinc/21/67/67/667216767.db2.gz FAJRIRYABZOYHW-RISCZKNCSA-N 1 1 374.438 0.955 20 5 FCBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000919999130 667216770 /nfs/dbraw/zinc/21/67/70/667216770.db2.gz FAJRIRYABZOYHW-RISCZKNCSA-N 1 1 374.438 0.955 20 5 FCBDMO O=C(NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C12CCC[NH+]1CCC2 ZINC000946705582 667707994 /nfs/dbraw/zinc/70/79/94/667707994.db2.gz IOSRGKSJJPUNTB-ZIAGYGMSSA-N 1 1 350.419 0.387 20 5 FCBDMO O=C(C[NH2+][C@@H]1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)N1CCCCC1 ZINC001034643359 667762117 /nfs/dbraw/zinc/76/21/17/667762117.db2.gz MZNVZNXFJYBNFU-KBUPBQIOSA-N 1 1 352.435 0.681 20 5 FCBDMO COc1cc(S(=O)(=O)NCC[NH+]2CCC(OC)CC2)ccc1[N+](=O)[O-] ZINC000759253520 667799662 /nfs/dbraw/zinc/79/96/62/667799662.db2.gz AJKUBSVDMLRKFZ-UHFFFAOYSA-N 1 1 373.431 0.993 20 5 FCBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000762555854 667921291 /nfs/dbraw/zinc/92/12/91/667921291.db2.gz QYHYPDSJHXOFEI-CYBMUJFWSA-N 1 1 363.823 0.902 20 5 FCBDMO NC(=O)C[NH+]1CCC(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000778223036 668356314 /nfs/dbraw/zinc/35/63/14/668356314.db2.gz HOHPWJLTUODKCU-UHFFFAOYSA-N 1 1 356.329 0.753 20 5 FCBDMO COCCS(=O)(=O)CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785856517 668734876 /nfs/dbraw/zinc/73/48/76/668734876.db2.gz IVPCJZRMAAKHJH-UHFFFAOYSA-N 1 1 360.436 0.880 20 5 FCBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000818986569 668968712 /nfs/dbraw/zinc/96/87/12/668968712.db2.gz PXDSTKMJNNUOQZ-ZNMIVQPWSA-N 1 1 351.403 0.787 20 5 FCBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000818986569 668968718 /nfs/dbraw/zinc/96/87/18/668968718.db2.gz PXDSTKMJNNUOQZ-ZNMIVQPWSA-N 1 1 351.403 0.787 20 5 FCBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000825293106 669446847 /nfs/dbraw/zinc/44/68/47/669446847.db2.gz NSXSPLFVPDYJOH-UHFFFAOYSA-N 1 1 352.366 0.888 20 5 FCBDMO C[C@@H]1CN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@@H+]1CCO ZINC000840133068 669555497 /nfs/dbraw/zinc/55/54/97/669555497.db2.gz AVZPSXCMCVJWMX-TXEJJXNPSA-N 1 1 350.375 0.847 20 5 FCBDMO CNS(=O)(=O)NC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000812841149 669817980 /nfs/dbraw/zinc/81/79/80/669817980.db2.gz QSJOPBNOOKFBDP-AWEZNQCLSA-N 1 1 358.420 0.146 20 5 FCBDMO C[N@H+]1CCN(CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000831778941 669867437 /nfs/dbraw/zinc/86/74/37/669867437.db2.gz YHXXMXXGPNDCAX-OAHLLOKOSA-N 1 1 350.419 0.770 20 5 FCBDMO NC(=O)C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000832751142 669921955 /nfs/dbraw/zinc/92/19/55/669921955.db2.gz NHDOXZNBYYBOEC-LLVKDONJSA-N 1 1 354.338 0.639 20 5 FCBDMO NC(=O)C[C@@H]1COCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000832751142 669921957 /nfs/dbraw/zinc/92/19/57/669921957.db2.gz NHDOXZNBYYBOEC-LLVKDONJSA-N 1 1 354.338 0.639 20 5 FCBDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000842858358 670745348 /nfs/dbraw/zinc/74/53/48/670745348.db2.gz AMGBGSNBWVJGGF-GFCCVEGCSA-N 1 1 373.387 0.129 20 5 FCBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1COC(C)(C)O1 ZINC000852185394 671493518 /nfs/dbraw/zinc/49/35/18/671493518.db2.gz XNBQIZJPGOBBOA-ZDUSSCGKSA-N 1 1 373.431 0.956 20 5 FCBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1COC(C)(C)O1 ZINC000852185394 671493519 /nfs/dbraw/zinc/49/35/19/671493519.db2.gz XNBQIZJPGOBBOA-ZDUSSCGKSA-N 1 1 373.431 0.956 20 5 FCBDMO COC(=O)COc1ccc(C[NH2+][C@@H](C)C(=O)N(C)OC)cc1[N+](=O)[O-] ZINC000858319935 671758407 /nfs/dbraw/zinc/75/84/07/671758407.db2.gz UDWCDEGBHIUIRS-JTQLQIEISA-N 1 1 355.347 0.645 20 5 FCBDMO CCNC(=O)C[N@@H+]1CCCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865437791 672242744 /nfs/dbraw/zinc/24/27/44/672242744.db2.gz GIASWAYMMXMEMA-UHFFFAOYSA-N 1 1 354.382 0.874 20 5 FCBDMO CCNC(=O)C[N@H+]1CCCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865437791 672242748 /nfs/dbraw/zinc/24/27/48/672242748.db2.gz GIASWAYMMXMEMA-UHFFFAOYSA-N 1 1 354.382 0.874 20 5 FCBDMO C[NH+]1CCN(C(=O)CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000865790259 672250991 /nfs/dbraw/zinc/25/09/91/672250991.db2.gz NZXULZVCKCDRGE-UHFFFAOYSA-N 1 1 352.366 0.557 20 5 FCBDMO O=C(CC1CCC1)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055551522 676023616 /nfs/dbraw/zinc/02/36/16/676023616.db2.gz UXJSKBOBXAALSK-HUUCEWRRSA-N 1 1 352.435 0.539 20 5 FCBDMO C[N@@H+](CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCC1 ZINC000969001554 675259871 /nfs/dbraw/zinc/25/98/71/675259871.db2.gz PYUPVOSGMSQHES-LXTVHRRPSA-N 1 1 350.419 0.338 20 5 FCBDMO C[N@H+](CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC000969001554 675259874 /nfs/dbraw/zinc/25/98/74/675259874.db2.gz PYUPVOSGMSQHES-LXTVHRRPSA-N 1 1 350.419 0.338 20 5 FCBDMO C[N@@H+](CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC000969001554 675259878 /nfs/dbraw/zinc/25/98/78/675259878.db2.gz PYUPVOSGMSQHES-LXTVHRRPSA-N 1 1 350.419 0.338 20 5 FCBDMO O=C(C[NH+]1CCCC1)N1CC2(C1)CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001010667641 675369758 /nfs/dbraw/zinc/36/97/58/675369758.db2.gz OULFIXVBRLXKJV-ZIAGYGMSSA-N 1 1 350.419 0.198 20 5 FCBDMO Cn1cc(-c2cc(C[NH2+][C@H]3C[C@@H](NC(=O)[C@@H]4CC4[N+](=O)[O-])C3)on2)cn1 ZINC001022063914 1170551055 /nfs/dbraw/zinc/55/10/55/1170551055.db2.gz ONLLQSPNGHWRHI-NDPMZMCLSA-N 1 1 360.374 0.477 20 5 FCBDMO O=C(C[NH2+][C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)N1CCc2ccccc21 ZINC001022063888 1170551103 /nfs/dbraw/zinc/55/11/03/1170551103.db2.gz NVXMWTMXVQAHGU-HLPPOEQASA-N 1 1 358.398 0.478 20 5 FCBDMO CC(C)(C)n1nnc(CC[N@@H+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)n1 ZINC001691209153 1170859649 /nfs/dbraw/zinc/85/96/49/1170859649.db2.gz PHKYVOICVBKTCZ-CHWSQXEVSA-N 1 1 365.438 0.216 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000892201191 1171738188 /nfs/dbraw/zinc/73/81/88/1171738188.db2.gz IUDZSTXLKKEUPD-UHFFFAOYSA-N 1 1 365.434 0.992 20 5 FCBDMO C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000974115785 1183004923 /nfs/dbraw/zinc/00/49/23/1183004923.db2.gz ZABGMZUVXWGGRX-QKPAOTATSA-N 1 1 360.414 0.790 20 5 FCBDMO C[NH+](C)Cc1ccccc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000974116121 1183005046 /nfs/dbraw/zinc/00/50/46/1183005046.db2.gz JPNZKETWBIGPQS-OCVGTWLNSA-N 1 1 360.414 0.790 20 5 FCBDMO O=C(NC[C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000978796403 1186009018 /nfs/dbraw/zinc/00/90/18/1186009018.db2.gz UIRMXHQZXIMIBY-LXTVHRRPSA-N 1 1 364.446 0.539 20 5 FCBDMO CC(C)[NH+]1CCC(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000979246981 1186066673 /nfs/dbraw/zinc/06/66/73/1186066673.db2.gz XLBKMKJDQPFIQR-SLBVQIDZSA-N 1 1 366.462 0.783 20 5 FCBDMO Cn1ccc(C[N@H+]2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cc1=O ZINC000981765058 1186513610 /nfs/dbraw/zinc/51/36/10/1186513610.db2.gz OCYLEURMEIJSSV-HUUCEWRRSA-N 1 1 360.414 0.475 20 5 FCBDMO Cn1ccc(C[N@@H+]2CCCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)cc1=O ZINC000981765058 1186513614 /nfs/dbraw/zinc/51/36/14/1186513614.db2.gz OCYLEURMEIJSSV-HUUCEWRRSA-N 1 1 360.414 0.475 20 5 FCBDMO Cn1ccc(C[N@H+]2CCCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)cc1=O ZINC000981765058 1186513618 /nfs/dbraw/zinc/51/36/18/1186513618.db2.gz OCYLEURMEIJSSV-HUUCEWRRSA-N 1 1 360.414 0.475 20 5 FCBDMO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@@H+](CC(=O)N1CCCC1)C2 ZINC000982278712 1186694852 /nfs/dbraw/zinc/69/48/52/1186694852.db2.gz PAPAGIGTEUQZAX-DTDBQYNISA-N 1 1 364.446 0.444 20 5 FCBDMO C[C@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CC(=O)N1CCCC1)C2 ZINC000982278712 1186694855 /nfs/dbraw/zinc/69/48/55/1186694855.db2.gz PAPAGIGTEUQZAX-DTDBQYNISA-N 1 1 364.446 0.444 20 5 FCBDMO C[C@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]1(C)C[N@@H+](CC(=O)N1CCCC1)C2 ZINC000982278712 1186694859 /nfs/dbraw/zinc/69/48/59/1186694859.db2.gz PAPAGIGTEUQZAX-DTDBQYNISA-N 1 1 364.446 0.444 20 5 FCBDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000896241853 1190019983 /nfs/dbraw/zinc/01/99/83/1190019983.db2.gz KEBGSKFUWRLLKF-UHFFFAOYSA-N 1 1 361.402 0.720 20 5 FCBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@@H]1C[N@@H+](C)CCN1C ZINC000896563310 1190093527 /nfs/dbraw/zinc/09/35/27/1190093527.db2.gz KDDUIBWZGAFBMN-RISCZKNCSA-N 1 1 364.402 0.730 20 5 FCBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@H]1C[N@@H+](C)CCN1C ZINC000896563308 1190093805 /nfs/dbraw/zinc/09/38/05/1190093805.db2.gz KDDUIBWZGAFBMN-BXUZGUMPSA-N 1 1 364.402 0.730 20 5 FCBDMO C[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@@H+](C)CCN1C ZINC000896570144 1190096079 /nfs/dbraw/zinc/09/60/79/1190096079.db2.gz JVRNDMRAXJWTBY-WBMJQRKESA-N 1 1 360.418 0.695 20 5 FCBDMO CNC(=O)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001105423517 1190806973 /nfs/dbraw/zinc/80/69/73/1190806973.db2.gz YXHBFZXVYVKCBF-ADAWSYLGSA-N 1 1 360.414 0.204 20 5 FCBDMO CCn1nnc(C)c1C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964771 1191038360 /nfs/dbraw/zinc/03/83/60/1191038360.db2.gz YWCBPSNXQNOOQN-HUUCEWRRSA-N 1 1 364.450 0.942 20 5 FCBDMO CCn1nnc(C)c1C[N@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964771 1191038363 /nfs/dbraw/zinc/03/83/63/1191038363.db2.gz YWCBPSNXQNOOQN-HUUCEWRRSA-N 1 1 364.450 0.942 20 5 FCBDMO CCn1nnc(C)c1C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964771 1191038366 /nfs/dbraw/zinc/03/83/66/1191038366.db2.gz YWCBPSNXQNOOQN-HUUCEWRRSA-N 1 1 364.450 0.942 20 5 FCBDMO NC(=O)C[NH+]1CCC(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000128303417 1194019228 /nfs/dbraw/zinc/01/92/28/1194019228.db2.gz KLROXTFZXSESPK-UHFFFAOYSA-N 1 1 359.386 0.685 20 5 FCBDMO CN1CCN(C(C)(C)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000591739388 1196526457 /nfs/dbraw/zinc/52/64/57/1196526457.db2.gz MJGUXZGQXWXINL-INIZCTEOSA-N 1 1 366.462 0.950 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593444634 1196786547 /nfs/dbraw/zinc/78/65/47/1196786547.db2.gz CJHMNNWSGIOGNZ-CYBMUJFWSA-N 1 1 366.393 0.980 20 5 FCBDMO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593855973 1196826689 /nfs/dbraw/zinc/82/66/89/1196826689.db2.gz SLSUIRMPROWJRR-OAHLLOKOSA-N 1 1 357.370 0.672 20 5 FCBDMO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593855973 1196826693 /nfs/dbraw/zinc/82/66/93/1196826693.db2.gz SLSUIRMPROWJRR-OAHLLOKOSA-N 1 1 357.370 0.672 20 5 FCBDMO CN1CC[NH+](CCCNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000915283229 1198006263 /nfs/dbraw/zinc/00/62/63/1198006263.db2.gz VIQOUZVRBUFIER-UHFFFAOYSA-N 1 1 360.418 0.698 20 5 FCBDMO O=C([C@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]2OCC[C@H]21)N1CCOCC1 ZINC001169020969 1199044015 /nfs/dbraw/zinc/04/40/15/1199044015.db2.gz MRBDOSKJYJDMMC-JSRQGNBESA-N 1 1 367.446 0.628 20 5 FCBDMO Cn1nc(C(=O)N2CCOCC2)c2c1C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169021823 1199045202 /nfs/dbraw/zinc/04/52/02/1199045202.db2.gz ADAUTAAYRQLDHS-OLZOCXBDSA-N 1 1 363.418 0.654 20 5 FCBDMO Cn1nc(C(=O)N2CCOCC2)c2c1C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169021823 1199045207 /nfs/dbraw/zinc/04/52/07/1199045207.db2.gz ADAUTAAYRQLDHS-OLZOCXBDSA-N 1 1 363.418 0.654 20 5 FCBDMO Cn1nnc(CNCCCN(CC2CCCC2)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001177313762 1206335372 /nfs/dbraw/zinc/33/53/72/1206335372.db2.gz OFVSYANLWZSZDX-ZIAGYGMSSA-N 1 1 365.438 0.374 20 5 FCBDMO Cn1ncnc1C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001177313727 1206335387 /nfs/dbraw/zinc/33/53/87/1206335387.db2.gz LQWKJKOTZLGFJU-HUUCEWRRSA-N 1 1 364.450 0.979 20 5 FCBDMO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CC[NH+](CCCCO)CC1 ZINC000856730799 1209726219 /nfs/dbraw/zinc/72/62/19/1209726219.db2.gz HHXVDHWRGAFSPC-UHFFFAOYSA-N 1 1 366.422 0.116 20 5 FCBDMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000931869447 1211775669 /nfs/dbraw/zinc/77/56/69/1211775669.db2.gz DIDGTCCVDPAFOM-ZDUSSCGKSA-N 1 1 361.402 0.064 20 5 FCBDMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000931869447 1211775670 /nfs/dbraw/zinc/77/56/70/1211775670.db2.gz DIDGTCCVDPAFOM-ZDUSSCGKSA-N 1 1 361.402 0.064 20 5 FCBDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000195163152 1212934102 /nfs/dbraw/zinc/93/41/02/1212934102.db2.gz VYVCGJKIKYESHC-UHFFFAOYSA-N 1 1 363.418 0.897 20 5 FCBDMO Cn1ccnc1CCC(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000956366746 1213187504 /nfs/dbraw/zinc/18/75/04/1213187504.db2.gz KNMWZIHKVXHRHW-CHWSQXEVSA-N 1 1 363.418 0.515 20 5 FCBDMO O=C(c1ccc2c[nH+]cn2c1)N1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC000961550489 1214223406 /nfs/dbraw/zinc/22/34/06/1214223406.db2.gz HMBCBHANGPRMSR-OCVGTWLNSA-N 1 1 369.381 0.530 20 5 FCBDMO O=C(CC[NH+]1CCCCC1)N1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2C1 ZINC000961551583 1214224049 /nfs/dbraw/zinc/22/40/49/1214224049.db2.gz QGQYISVHUVASQB-QKPAOTATSA-N 1 1 364.446 0.444 20 5 FCBDMO O=C(C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1)N1CCCC1 ZINC001040700739 1214567881 /nfs/dbraw/zinc/56/78/81/1214567881.db2.gz QOTMBCLULFLPGL-HUUCEWRRSA-N 1 1 364.446 0.589 20 5 FCBDMO Cc1nc(C)n(CC[NH2+]C2CC3(CC(NC(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)n1 ZINC000963790656 1214851332 /nfs/dbraw/zinc/85/13/32/1214851332.db2.gz KIRBNXQIWCOEAI-KDUKZITGSA-N 1 1 362.434 0.577 20 5 FCBDMO COc1ncc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)c(C)n1 ZINC001048814598 1218318410 /nfs/dbraw/zinc/31/84/10/1218318410.db2.gz UYKOPBWPIPUCOY-LXTVHRRPSA-N 1 1 361.402 0.349 20 5 FCBDMO COc1ncc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)c(C)n1 ZINC001048814598 1218318416 /nfs/dbraw/zinc/31/84/16/1218318416.db2.gz UYKOPBWPIPUCOY-LXTVHRRPSA-N 1 1 361.402 0.349 20 5 FCBDMO COc1ncc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)c(C)n1 ZINC001048814598 1218318424 /nfs/dbraw/zinc/31/84/24/1218318424.db2.gz UYKOPBWPIPUCOY-LXTVHRRPSA-N 1 1 361.402 0.349 20 5 FCBDMO Cc1cc(C[N@@H+](CCO)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)ncn1 ZINC001098366119 1219767103 /nfs/dbraw/zinc/76/71/03/1219767103.db2.gz WMSWAAZOLDDUHO-HZPDHXFCSA-N 1 1 363.418 0.236 20 5 FCBDMO Cc1cc(C[N@H+](CCO)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ncn1 ZINC001098366119 1219767107 /nfs/dbraw/zinc/76/71/07/1219767107.db2.gz WMSWAAZOLDDUHO-HZPDHXFCSA-N 1 1 363.418 0.236 20 5 FCBDMO Cc1cc(C[N@@H+](CCO)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ncn1 ZINC001098366119 1219767110 /nfs/dbraw/zinc/76/71/10/1219767110.db2.gz WMSWAAZOLDDUHO-HZPDHXFCSA-N 1 1 363.418 0.236 20 5 FCBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000783375854 1221210570 /nfs/dbraw/zinc/21/05/70/1221210570.db2.gz CDOXGKALXPHJNU-LBPRGKRZSA-N 1 1 367.406 0.622 20 5 FCBDMO COc1ccc(C(=O)NCC(=O)NCC[N@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC001116536926 1221370105 /nfs/dbraw/zinc/37/01/05/1221370105.db2.gz UDKNQUNPLJWWDF-LBPRGKRZSA-N 1 1 364.402 0.791 20 5 FCBDMO O=C(C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)NCC1CCC1 ZINC001121081488 1222145907 /nfs/dbraw/zinc/14/59/07/1222145907.db2.gz OIXFIMXLXDNOJP-BSGOTLCWSA-N 1 1 364.446 0.585 20 5 FCBDMO O=C(C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)Nc1ccon1 ZINC001121087833 1222146560 /nfs/dbraw/zinc/14/65/60/1222146560.db2.gz WGLXMSRIJRFOEV-ZVHXASMASA-N 1 1 363.374 0.295 20 5 FCBDMO Cn1c(COc2ccccc2[N+](=O)[O-])nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001121459574 1222181566 /nfs/dbraw/zinc/18/15/66/1222181566.db2.gz NSEKDAJUFKQGST-ZDUSSCGKSA-N 1 1 374.401 0.823 20 5 FCBDMO Cn1c(COc2ccccc2[N+](=O)[O-])nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001121459574 1222181571 /nfs/dbraw/zinc/18/15/71/1222181571.db2.gz NSEKDAJUFKQGST-ZDUSSCGKSA-N 1 1 374.401 0.823 20 5 FCBDMO CNC(=O)[C@@]1(C)CC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840061036 1222768416 /nfs/dbraw/zinc/76/84/16/1222768416.db2.gz CFOWSBXUKHZRJB-RDJZCZTQSA-N 1 1 362.386 0.948 20 5 FCBDMO CNC(=O)[C@@]1(C)CC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840061036 1222768421 /nfs/dbraw/zinc/76/84/21/1222768421.db2.gz CFOWSBXUKHZRJB-RDJZCZTQSA-N 1 1 362.386 0.948 20 5 FCBDMO CCOc1ccccc1NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775300 1223081616 /nfs/dbraw/zinc/08/16/16/1223081616.db2.gz OFQZQTNYYYPRHO-TZMCWYRMSA-N 1 1 364.402 0.785 20 5 FCBDMO CCOc1ccc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001157767678 1223081647 /nfs/dbraw/zinc/08/16/47/1223081647.db2.gz RJHVVNPWFPDBDQ-HUUCEWRRSA-N 1 1 364.402 0.785 20 5 FCBDMO COc1ccccc1CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775663 1223082436 /nfs/dbraw/zinc/08/24/36/1223082436.db2.gz VHUNEDAVTUNTQS-ZIAGYGMSSA-N 1 1 364.402 0.073 20 5 FCBDMO CNC(=O)C[NH+]1CCC(Nc2nc(NC(C)=O)nc(C)c2[N+](=O)[O-])CC1 ZINC001161144341 1223187252 /nfs/dbraw/zinc/18/72/52/1223187252.db2.gz MFINPFKKFGPSCF-UHFFFAOYSA-N 1 1 365.394 0.274 20 5 FCBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000920258408 1245618386 /nfs/dbraw/zinc/61/83/86/1245618386.db2.gz SXQQUKCMLRCPOT-LBPRGKRZSA-N 1 1 364.402 0.742 20 5 FCBDMO C[NH+]1CCC(CC(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000943699198 1247388970 /nfs/dbraw/zinc/38/89/70/1247388970.db2.gz SJHPCLSGTGXMOY-KLHDSHLOSA-N 1 1 366.462 0.927 20 5 FCBDMO CN(C(=O)C[NH+]1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1)C1CC1 ZINC001000151514 1252269331 /nfs/dbraw/zinc/26/93/31/1252269331.db2.gz XJTIUPMSHZYJRN-HUUCEWRRSA-N 1 1 364.446 0.633 20 5 FCBDMO C[NH+](C)Cc1ccccc1C(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001804992 1252351457 /nfs/dbraw/zinc/35/14/57/1252351457.db2.gz JNCJMTAPZKRONM-HZPDHXFCSA-N 1 1 360.414 0.602 20 5 FCBDMO CNC(=O)c1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC001002782624 1252672950 /nfs/dbraw/zinc/67/29/50/1252672950.db2.gz MRRBMGKEXDUDRX-HZPDHXFCSA-N 1 1 360.414 0.792 20 5 FCBDMO O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1ccc2c[nH+]cn2c1 ZINC001063635396 1254366200 /nfs/dbraw/zinc/36/62/00/1254366200.db2.gz BQULEGHSHXUIRW-ZIAGYGMSSA-N 1 1 357.370 0.768 20 5 FCBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001079746643 1255591341 /nfs/dbraw/zinc/59/13/41/1255591341.db2.gz BCQAZEAQOMULRS-HUUCEWRRSA-N 1 1 366.462 0.975 20 5 FCBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001520823210 1266012299 /nfs/dbraw/zinc/01/22/99/1266012299.db2.gz SXVIJBGACPKHJK-UHFFFAOYSA-N 1 1 352.416 0.821 20 5 FCBDMO CC(=O)N1CC(=O)NC[C@@]12CC[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254555930 1259889395 /nfs/dbraw/zinc/88/93/95/1259889395.db2.gz JQEFHAVBYSFXCK-SCLBCKFNSA-N 1 1 360.414 0.949 20 5 FCBDMO COc1cc(N2CCC([N@H+]3CCO[C@@H](C(N)=O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256100305 1259934236 /nfs/dbraw/zinc/93/42/36/1259934236.db2.gz DTAVOHMBPPKMLO-MRXNPFEDSA-N 1 1 364.402 0.758 20 5 FCBDMO C[C@H](NC(=O)C(=O)NCCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC001256815209 1259975181 /nfs/dbraw/zinc/97/51/81/1259975181.db2.gz YVDKMCPPYNTXAC-ZDUSSCGKSA-N 1 1 364.402 0.611 20 5 FCBDMO Cn1c(CCC[N+](=O)[O-])nnc1N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001338017290 1260538233 /nfs/dbraw/zinc/53/82/33/1260538233.db2.gz ZCWBWQXJZPSZAC-UHFFFAOYSA-N 1 1 351.455 0.241 20 5 FCBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001345332770 1261675238 /nfs/dbraw/zinc/67/52/38/1261675238.db2.gz CWONFXZQPQYARW-BLLLJJGKSA-N 1 1 360.414 0.852 20 5 FCBDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001303376455 1263094506 /nfs/dbraw/zinc/09/45/06/1263094506.db2.gz HTBNRXNFYWUBRT-IAOVAPTHSA-N 1 1 374.397 0.873 20 5 FCBDMO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001322107159 1264147848 /nfs/dbraw/zinc/14/78/48/1264147848.db2.gz JFKPTCRICWGJEL-GFCCVEGCSA-N 1 1 362.386 0.443 20 5 FCBDMO C[C@@H]1C[C@H](NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC001325490023 1264906612 /nfs/dbraw/zinc/90/66/12/1264906612.db2.gz UFNLIOTWDUVGHJ-OCCSQVGLSA-N 1 1 360.414 0.995 20 5 FCBDMO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001339338145 1268215198 /nfs/dbraw/zinc/21/51/98/1268215198.db2.gz FOYIMVZWZXRQMB-ZDUSSCGKSA-N 1 1 351.455 0.852 20 5 FCBDMO COCCn1c([C@H](C)[N+](=O)[O-])nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001343065437 1269754733 /nfs/dbraw/zinc/75/47/33/1269754733.db2.gz OZKUUJQZGYPFAI-ZDUSSCGKSA-N 1 1 370.454 0.809 20 5 FCBDMO COCCn1c([C@H](C)[N+](=O)[O-])nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001343065437 1269754739 /nfs/dbraw/zinc/75/47/39/1269754739.db2.gz OZKUUJQZGYPFAI-ZDUSSCGKSA-N 1 1 370.454 0.809 20 5 FCBDMO C[N@@H+](CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001591098016 1284168545 /nfs/dbraw/zinc/16/85/45/1284168545.db2.gz HUEMBCFUTNYGQZ-UHFFFAOYSA-N 1 1 370.373 0.965 20 5 FCBDMO COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+](C)C1 ZINC001591253850 1284412201 /nfs/dbraw/zinc/41/22/01/1284412201.db2.gz FSHMEHVDBQTGGK-JTQLQIEISA-N 1 1 361.362 0.316 20 5 FCBDMO C[N@@H+](CC(=O)NCCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CCC1 ZINC001604709916 1287746759 /nfs/dbraw/zinc/74/67/59/1287746759.db2.gz LGKCFIGXDLJZRO-UHFFFAOYSA-N 1 1 374.405 0.787 20 5 FCBDMO Cc1c[nH+]cn1CC(=O)NCCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001592301753 1285223917 /nfs/dbraw/zinc/22/39/17/1285223917.db2.gz UZQIDCXQVYPYII-UHFFFAOYSA-N 1 1 371.361 0.508 20 5 FCBDMO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC001592740504 1285659073 /nfs/dbraw/zinc/65/90/73/1285659073.db2.gz LBQJFZUEKBGJCE-BDAKNGLRSA-N 1 1 367.391 0.323 20 5 FCBDMO O=C(NCC[N@@H+](Cc1ccccc1-c1nn[nH]n1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001593080517 1285978305 /nfs/dbraw/zinc/97/83/05/1285978305.db2.gz DNZWPAXOLLVWEJ-HUUCEWRRSA-N 1 1 371.401 0.613 20 5 FCBDMO O=C(NCC[N@H+](Cc1ccccc1-c1nn[nH]n1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001593080517 1285978314 /nfs/dbraw/zinc/97/83/14/1285978314.db2.gz DNZWPAXOLLVWEJ-HUUCEWRRSA-N 1 1 371.401 0.613 20 5 FCBDMO O=C(NCC[N@@H+](Cc1ccccc1-c1nn[nH]n1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001593080517 1285978322 /nfs/dbraw/zinc/97/83/22/1285978322.db2.gz DNZWPAXOLLVWEJ-HUUCEWRRSA-N 1 1 371.401 0.613 20 5 FCBDMO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH+]3CCOCC3)C2)c(-c2nn[nH]n2)c1 ZINC001593485698 1286174825 /nfs/dbraw/zinc/17/48/25/1286174825.db2.gz FWMVBHGFNZKRKN-NSHDSACASA-N 1 1 360.378 0.471 20 5 FCBDMO COC(=O)C[C@@]1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CCOC1 ZINC001609298740 1289069260 /nfs/dbraw/zinc/06/92/60/1289069260.db2.gz ZGJJUJXSYATKMJ-HNNXBMFYSA-N 1 1 362.346 0.587 20 5 FCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001606992887 1288583120 /nfs/dbraw/zinc/58/31/20/1288583120.db2.gz DLSSRIZJPWCZHL-HUUCEWRRSA-N 1 1 371.401 0.566 20 5 FCBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)c1 ZINC001607085792 1288653635 /nfs/dbraw/zinc/65/36/35/1288653635.db2.gz PCPCTNJFXBZAFH-UHFFFAOYSA-N 1 1 370.377 0.189 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2Cc3cccc(-c4nn[nH]n4)c3C2)c1 ZINC001607085651 1288654378 /nfs/dbraw/zinc/65/43/78/1288654378.db2.gz IWFQUAOXUUXXTO-GFCCVEGCSA-N 1 1 356.346 0.348 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2Cc3cccc(-c4nn[nH]n4)c3C2)c1 ZINC001607085651 1288654379 /nfs/dbraw/zinc/65/43/79/1288654379.db2.gz IWFQUAOXUUXXTO-GFCCVEGCSA-N 1 1 356.346 0.348 20 5 FCBDMO Cc1csc(NC(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001752725821 1290614998 /nfs/dbraw/zinc/61/49/98/1290614998.db2.gz JBHNKXLIORVUAL-LMLFDSFASA-N 1 1 353.404 0.292 20 5 FCBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncnc(OC)c1[N+](=O)[O-])CC2 ZINC001164685731 719719117 /nfs/dbraw/zinc/71/91/17/719719117.db2.gz NIJZMGFVYQALDH-UHFFFAOYSA-N 1 1 364.406 0.574 20 5 FCBDMO COCC[N@H+]1CCO[C@H]2CN(c3c(C)c([N+](=O)[O-])cc[n+]3[O-])CC[C@@H]2C1 ZINC001164859575 720864184 /nfs/dbraw/zinc/86/41/84/720864184.db2.gz UOOUEWYEJDVOTB-ZBFHGGJFSA-N 1 1 366.418 0.710 20 5 FCBDMO COCC[N@H+]1CCO[C@@H]2CN(c3c(C)c([N+](=O)[O-])cc[n+]3[O-])CC[C@@H]2C1 ZINC001164859569 720864494 /nfs/dbraw/zinc/86/44/94/720864494.db2.gz UOOUEWYEJDVOTB-GDBMZVCRSA-N 1 1 366.418 0.710 20 5 FCBDMO CCC[N@@H+](C)CC(=O)N1CCC(CC)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001069506733 837531442 /nfs/dbraw/zinc/53/14/42/837531442.db2.gz SGGNXGSOBRDZMD-ZIAGYGMSSA-N 1 1 354.451 0.881 20 5 FCBDMO CCC[N@H+](C)CC(=O)N1CCC(CC)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001069506733 837531445 /nfs/dbraw/zinc/53/14/45/837531445.db2.gz SGGNXGSOBRDZMD-ZIAGYGMSSA-N 1 1 354.451 0.881 20 5 FCBDMO CCC[N@@H+](C)CC(=O)N1CCC(CC)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001069506733 837531453 /nfs/dbraw/zinc/53/14/53/837531453.db2.gz SGGNXGSOBRDZMD-ZIAGYGMSSA-N 1 1 354.451 0.881 20 5 FCBDMO CC1CC[NH+](CC(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)CC1 ZINC001064200686 836792275 /nfs/dbraw/zinc/79/22/75/836792275.db2.gz KISUIDYHIKZPHC-ZIAGYGMSSA-N 1 1 352.435 0.539 20 5 FCBDMO CCCCn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086084125 842118619 /nfs/dbraw/zinc/11/86/19/842118619.db2.gz DOSVLEAAHYRYQR-YVECIDJPSA-N 1 1 351.411 0.123 20 5 FCBDMO Cc1ncoc1C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001098365383 843909787 /nfs/dbraw/zinc/90/97/87/843909787.db2.gz LYMRJXUOAAJNAX-ZIAGYGMSSA-N 1 1 352.391 0.434 20 5 FCBDMO Cc1ncoc1C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098365383 843909789 /nfs/dbraw/zinc/90/97/89/843909789.db2.gz LYMRJXUOAAJNAX-ZIAGYGMSSA-N 1 1 352.391 0.434 20 5 FCBDMO Cc1ncoc1C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098365383 843909794 /nfs/dbraw/zinc/90/97/94/843909794.db2.gz LYMRJXUOAAJNAX-ZIAGYGMSSA-N 1 1 352.391 0.434 20 5 FCBDMO Cc1nocc1C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001098365016 843909944 /nfs/dbraw/zinc/90/99/44/843909944.db2.gz IDYVQWDDZJLZMF-HUUCEWRRSA-N 1 1 352.391 0.434 20 5 FCBDMO Cc1nocc1C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098365016 843909949 /nfs/dbraw/zinc/90/99/49/843909949.db2.gz IDYVQWDDZJLZMF-HUUCEWRRSA-N 1 1 352.391 0.434 20 5 FCBDMO Cc1nocc1C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098365016 843909953 /nfs/dbraw/zinc/90/99/53/843909953.db2.gz IDYVQWDDZJLZMF-HUUCEWRRSA-N 1 1 352.391 0.434 20 5 FCBDMO Cc1ncc(C[N@@H+](CCO)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001098365611 843911654 /nfs/dbraw/zinc/91/16/54/843911654.db2.gz OJMLGKMOWJMZNG-HUUCEWRRSA-N 1 1 352.391 0.434 20 5 FCBDMO Cc1ncc(C[N@H+](CCO)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001098365611 843911657 /nfs/dbraw/zinc/91/16/57/843911657.db2.gz OJMLGKMOWJMZNG-HUUCEWRRSA-N 1 1 352.391 0.434 20 5 FCBDMO Cc1ncc(C[N@@H+](CCO)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001098365611 843911663 /nfs/dbraw/zinc/91/16/63/843911663.db2.gz OJMLGKMOWJMZNG-HUUCEWRRSA-N 1 1 352.391 0.434 20 5 FCBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCc1ccc(Cl)cc1 ZINC001157767559 849992122 /nfs/dbraw/zinc/99/21/22/849992122.db2.gz QTQUWJLTOWJKCZ-ZIAGYGMSSA-N 1 1 368.821 0.717 20 5 FCBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCCC1CCCCC1 ZINC001157767760 849992189 /nfs/dbraw/zinc/99/21/89/849992189.db2.gz TUJVGQRDHFKLSZ-HUUCEWRRSA-N 1 1 354.451 0.834 20 5 FCBDMO CCOC(=O)c1nc(Cl)nc(-n2[nH]c(=O)c(CC[NH3+])c2C)c1[N+](=O)[O-] ZINC001159292141 850107076 /nfs/dbraw/zinc/10/70/76/850107076.db2.gz FNOHRQVJVBAZTD-UHFFFAOYSA-N 1 1 370.753 0.916 20 5 FCBDMO CCOC(=O)c1nc(Cl)nc(NCCN2CC[NH2+]CC2=O)c1[N+](=O)[O-] ZINC001161018613 850221554 /nfs/dbraw/zinc/22/15/54/850221554.db2.gz AQXVYUZVDZIRCY-UHFFFAOYSA-N 1 1 372.769 0.059 20 5 FCBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC([C@H]([NH3+])C(=O)OC(C)(C)C)C2)n1 ZINC001163119242 850356164 /nfs/dbraw/zinc/35/61/64/850356164.db2.gz PEDMZBLCCLNUFE-JTQLQIEISA-N 1 1 353.379 0.807 20 5 FCBDMO COC(=O)c1nc(Cl)nc(N2CCC(F)(F)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001164319644 850406870 /nfs/dbraw/zinc/40/68/70/850406870.db2.gz LLVJRVJPRINSGA-RXMQYKEDSA-N 1 1 351.697 0.998 20 5 FCBDMO O=C(C[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)Nc1ccon1 ZINC001164494780 850413708 /nfs/dbraw/zinc/41/37/08/850413708.db2.gz RUOLFEXXWUABCI-GHMZBOCLSA-N 1 1 351.363 0.154 20 5 FCBDMO COC(=O)C(C(=O)OC)c1cc(N[C@@H](N)CCC[NH3+])ccc1[N+](=O)[O-] ZINC001170903254 850669744 /nfs/dbraw/zinc/66/97/44/850669744.db2.gz IPIATXMYYYOIHG-GFCCVEGCSA-N 1 1 354.363 0.460 20 5 FCBDMO [NH3+][C@@H]1COC[C@H]1NC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173691905 850733250 /nfs/dbraw/zinc/73/32/50/850733250.db2.gz UJDFSFNMLJELOW-CHWSQXEVSA-N 1 1 370.431 0.064 20 5 FCBDMO O=C(NCCCCCC[NH2+]Cc1nnnn1C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001178458803 850900584 /nfs/dbraw/zinc/90/05/84/850900584.db2.gz ZBLVGELUHZZUGH-CHWSQXEVSA-N 1 1 351.411 0.439 20 5 FCBDMO COc1nccc(C[NH2+]CCCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001178458413 850900907 /nfs/dbraw/zinc/90/09/07/850900907.db2.gz GGKXFWUNFNWAFL-ZIAGYGMSSA-N 1 1 351.407 0.917 20 5 FCBDMO O=C(C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)Nc1nccs1 ZINC001205223765 853601147 /nfs/dbraw/zinc/60/11/47/853601147.db2.gz GUEGNCVSBSMKNZ-VXGBXAGGSA-N 1 1 367.431 0.575 20 5 FCBDMO C[N@@H+](CCO)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001303625727 866445823 /nfs/dbraw/zinc/44/58/23/866445823.db2.gz BQKSRASAAAWGBT-NSHDSACASA-N 1 1 370.431 0.301 20 5 FCBDMO Cc1nnc(CC[N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC001307851146 866679435 /nfs/dbraw/zinc/67/94/35/866679435.db2.gz LITMGGJNUYCLPK-UHFFFAOYSA-N 1 1 369.403 0.739 20 5 FCBDMO Cc1nnc(CC[N@@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC001307851146 866679443 /nfs/dbraw/zinc/67/94/43/866679443.db2.gz LITMGGJNUYCLPK-UHFFFAOYSA-N 1 1 369.403 0.739 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC001318500438 867681917 /nfs/dbraw/zinc/68/19/17/867681917.db2.gz FJGXFOKLBXUZOP-UHFFFAOYSA-N 1 1 352.439 0.632 20 5 FCBDMO C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC001356584439 868029642 /nfs/dbraw/zinc/02/96/42/868029642.db2.gz OKRZFIPWFUPSMN-HUUCEWRRSA-N 1 1 352.435 0.560 20 5 FCBDMO C[C@H](c1nnc(N2CC[NH+]([C@H]3CCOC3)CC2)n1CC1CC1)[N+](=O)[O-] ZINC001348155484 872612008 /nfs/dbraw/zinc/61/20/08/872612008.db2.gz ZOBOKNBXKDZZDW-OCCSQVGLSA-N 1 1 350.423 0.937 20 5 FCBDMO CN1CCN(CCC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC001336712606 874028722 /nfs/dbraw/zinc/02/87/22/874028722.db2.gz DNVISQRDRHAHMF-INIZCTEOSA-N 1 1 352.435 0.562 20 5 FCBDMO COc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc([N+](=O)[O-])c1OC ZINC000265966979 210257913 /nfs/dbraw/zinc/25/79/13/210257913.db2.gz SWVPGYYUUPHVIU-LBPRGKRZSA-N 1 1 352.391 0.588 20 5 FCBDMO C[C@@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@H](C)[N@@H+]1C ZINC000293943522 214212769 /nfs/dbraw/zinc/21/27/69/214212769.db2.gz JISBOZWAKFKPRZ-PHIMTYICSA-N 1 1 360.370 0.742 20 5 FCBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000265937970 210252870 /nfs/dbraw/zinc/25/28/70/210252870.db2.gz GNMNBGZCEJPSLH-YPMHNXCESA-N 1 1 374.397 0.989 20 5 FCBDMO COC(=O)c1cc(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc([N+](=O)[O-])c1 ZINC000295619364 214308862 /nfs/dbraw/zinc/30/88/62/214308862.db2.gz YMMOLAKKPZPCDB-AWEZNQCLSA-N 1 1 365.386 0.958 20 5 FCBDMO Cc1cc(F)c(NC(=O)C(=O)NCC[N@@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000297178388 214384117 /nfs/dbraw/zinc/38/41/17/214384117.db2.gz ADDZLWUXGATCPS-UHFFFAOYSA-N 1 1 368.365 0.819 20 5 FCBDMO Cc1cc(F)c(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000297178388 214384121 /nfs/dbraw/zinc/38/41/21/214384121.db2.gz ADDZLWUXGATCPS-UHFFFAOYSA-N 1 1 368.365 0.819 20 5 FCBDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000291420686 214033584 /nfs/dbraw/zinc/03/35/84/214033584.db2.gz KOWRSGNYHKVVDS-TZMCWYRMSA-N 1 1 350.375 0.078 20 5 FCBDMO C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000265700889 210201973 /nfs/dbraw/zinc/20/19/73/210201973.db2.gz KCYPVCFEZRZNQK-LBPRGKRZSA-N 1 1 350.375 0.618 20 5 FCBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000290993641 214007500 /nfs/dbraw/zinc/00/75/00/214007500.db2.gz UFXQFKHUPPPLIL-UHFFFAOYSA-N 1 1 352.376 0.292 20 5 FCBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000290954216 214005538 /nfs/dbraw/zinc/00/55/38/214005538.db2.gz BONLUAQQDKGHFH-UHFFFAOYSA-N 1 1 364.402 0.934 20 5 FCBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CCCOCC1 ZINC000290954216 214005541 /nfs/dbraw/zinc/00/55/41/214005541.db2.gz BONLUAQQDKGHFH-UHFFFAOYSA-N 1 1 364.402 0.934 20 5 FCBDMO CN(CC(=O)NCC[N@@H+](C)C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000265640808 210184239 /nfs/dbraw/zinc/18/42/39/210184239.db2.gz LUUVQSIYHYZNLO-UHFFFAOYSA-N 1 1 370.431 0.426 20 5 FCBDMO CCOC(=O)c1ccnc(NCCC[N@H+]2CCC[C@@H]2C(N)=O)c1[N+](=O)[O-] ZINC000265553867 210165608 /nfs/dbraw/zinc/16/56/08/210165608.db2.gz HMQLYDPMNQLELU-GFCCVEGCSA-N 1 1 365.390 0.918 20 5 FCBDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000265239417 210079723 /nfs/dbraw/zinc/07/97/23/210079723.db2.gz QXZYZFXZLSAURR-TZMCWYRMSA-N 1 1 373.431 0.335 20 5 FCBDMO C[C@H]1C[C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000332163508 215103571 /nfs/dbraw/zinc/10/35/71/215103571.db2.gz QJPPNLDGNPQIFC-NWDGAFQWSA-N 1 1 362.386 0.919 20 5 FCBDMO CC[N@@H+](C)CCNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000264916001 210013539 /nfs/dbraw/zinc/01/35/39/210013539.db2.gz OLIXSPFZTILOBU-UHFFFAOYSA-N 1 1 373.435 0.112 20 5 FCBDMO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000411573274 237013021 /nfs/dbraw/zinc/01/30/21/237013021.db2.gz SSBZTOOMLHMSBI-AWEZNQCLSA-N 1 1 364.402 0.805 20 5 FCBDMO CN(C)C(=O)[C@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000411947516 237118258 /nfs/dbraw/zinc/11/82/58/237118258.db2.gz UBXITLBAXFONHD-JTQLQIEISA-N 1 1 364.358 0.672 20 5 FCBDMO CN(C)C(=O)[C@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000411947516 237118268 /nfs/dbraw/zinc/11/82/68/237118268.db2.gz UBXITLBAXFONHD-JTQLQIEISA-N 1 1 364.358 0.672 20 5 FCBDMO CCCc1[nH]nc(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1[N+](=O)[O-] ZINC000236884074 209344464 /nfs/dbraw/zinc/34/44/64/209344464.db2.gz HETFXFKGHDMDDX-JTQLQIEISA-N 1 1 352.395 0.198 20 5 FCBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](S(N)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000368680879 216280529 /nfs/dbraw/zinc/28/05/29/216280529.db2.gz QSYFKENSHTYGIH-LBPRGKRZSA-N 1 1 370.431 0.985 20 5 FCBDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000369284445 216378314 /nfs/dbraw/zinc/37/83/14/216378314.db2.gz RFBOQVLNWQTLPD-FVQBIDKESA-N 1 1 364.406 0.474 20 5 FCBDMO C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000189932541 209263206 /nfs/dbraw/zinc/26/32/06/209263206.db2.gz YQYLVZSGRWKWSY-LBPRGKRZSA-N 1 1 350.419 0.971 20 5 FCBDMO COC(=O)c1cnc(NCCC[N@H+]2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000276891632 212304191 /nfs/dbraw/zinc/30/41/91/212304191.db2.gz MFSLPCWVYQIZAM-LLVKDONJSA-N 1 1 351.363 0.528 20 5 FCBDMO COc1cc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1C ZINC000276775852 212288257 /nfs/dbraw/zinc/28/82/57/212288257.db2.gz CJZURCBBPGBTCY-UHFFFAOYSA-N 1 1 364.402 0.806 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000186921924 209200780 /nfs/dbraw/zinc/20/07/80/209200780.db2.gz MZRLGCJOZIOXBB-LBPRGKRZSA-N 1 1 353.423 0.793 20 5 FCBDMO COCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H](C)C(N)=O ZINC000275463635 212032676 /nfs/dbraw/zinc/03/26/76/212032676.db2.gz KMGAWLGREMWSLX-SNVBAGLBSA-N 1 1 356.354 0.885 20 5 FCBDMO CCN1CC[NH+](CCCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000183772170 209152621 /nfs/dbraw/zinc/15/26/21/209152621.db2.gz LYFHWEBRKCKSND-UHFFFAOYSA-N 1 1 371.463 0.682 20 5 FCBDMO [NH3+]CC(F)(F)CNC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000419345429 246108152 /nfs/dbraw/zinc/10/81/52/246108152.db2.gz HHZCRKIKTAMOCM-UHFFFAOYSA-N 1 1 358.345 0.744 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000440499690 248191498 /nfs/dbraw/zinc/19/14/98/248191498.db2.gz BDKQDVVJSNQIDY-SFHVURJKSA-N 1 1 373.413 0.853 20 5 FCBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCN3CCCS3(=O)=O)C2)nc1 ZINC000440498823 248191964 /nfs/dbraw/zinc/19/19/64/248191964.db2.gz VFFXDUOEMOCXFA-LBPRGKRZSA-N 1 1 355.420 0.512 20 5 FCBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCN3CCCS3(=O)=O)C2)nc1 ZINC000440498823 248191966 /nfs/dbraw/zinc/19/19/66/248191966.db2.gz VFFXDUOEMOCXFA-LBPRGKRZSA-N 1 1 355.420 0.512 20 5 FCBDMO CCn1cc(S(=O)(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c([N+](=O)[O-])n1 ZINC000443080191 248305489 /nfs/dbraw/zinc/30/54/89/248305489.db2.gz LOPVADOAINTQFB-UHFFFAOYSA-N 1 1 374.467 0.116 20 5 FCBDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000444171027 248349350 /nfs/dbraw/zinc/34/93/50/248349350.db2.gz OBBNMEDAFATZRR-CQSZACIVSA-N 1 1 357.432 0.777 20 5 FCBDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000444171026 248349552 /nfs/dbraw/zinc/34/95/52/248349552.db2.gz OBBNMEDAFATZRR-AWEZNQCLSA-N 1 1 357.432 0.777 20 5 FCBDMO CN1CC[NH+](CCCNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000271278655 211370668 /nfs/dbraw/zinc/37/06/68/211370668.db2.gz AXURLAVJWMQXAU-UHFFFAOYSA-N 1 1 364.431 0.967 20 5 FCBDMO COc1ccc(OCC[NH+]2CCC(CS(N)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000270645705 211240949 /nfs/dbraw/zinc/24/09/49/211240949.db2.gz QCJCMEIZQZJNFU-UHFFFAOYSA-N 1 1 373.431 0.983 20 5 FCBDMO C[C@H](CO)[N@@H+]1CCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000469834453 250007227 /nfs/dbraw/zinc/00/72/27/250007227.db2.gz OPWSFHGNTMTFSH-CQSZACIVSA-N 1 1 371.459 0.757 20 5 FCBDMO C[C@H](CO)[N@H+]1CCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000469834453 250007231 /nfs/dbraw/zinc/00/72/31/250007231.db2.gz OPWSFHGNTMTFSH-CQSZACIVSA-N 1 1 371.459 0.757 20 5 FCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000469976512 250016795 /nfs/dbraw/zinc/01/67/95/250016795.db2.gz YDXMXNMFNXZPMF-CHWSQXEVSA-N 1 1 367.454 0.189 20 5 FCBDMO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000472327458 250146768 /nfs/dbraw/zinc/14/67/68/250146768.db2.gz MDJKMQDISUTYFC-YCPHGPKFSA-N 1 1 353.423 0.874 20 5 FCBDMO CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472710770 250176111 /nfs/dbraw/zinc/17/61/11/250176111.db2.gz BXNBDOLOAWSIPL-AWEZNQCLSA-N 1 1 368.365 0.588 20 5 FCBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000481762310 250356263 /nfs/dbraw/zinc/35/62/63/250356263.db2.gz ARXCZPMLIFIZMD-KGLIPLIRSA-N 1 1 359.386 0.694 20 5 FCBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000074137436 208051095 /nfs/dbraw/zinc/05/10/95/208051095.db2.gz FDJSMZBIWRVJIE-UHFFFAOYSA-N 1 1 360.374 0.365 20 5 FCBDMO Cc1noc(C)c1CN1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000072582749 208036245 /nfs/dbraw/zinc/03/62/45/208036245.db2.gz PGJXSSKSLMMITD-OAHLLOKOSA-N 1 1 364.406 0.575 20 5 FCBDMO C[C@@H](c1cccnc1)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075766903 208061263 /nfs/dbraw/zinc/06/12/63/208061263.db2.gz NERKESZYFCGXMH-YOEHRIQHSA-N 1 1 360.418 0.926 20 5 FCBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000077359498 208073874 /nfs/dbraw/zinc/07/38/74/208073874.db2.gz FVKOVYGEGZXWHQ-INIZCTEOSA-N 1 1 359.386 0.610 20 5 FCBDMO CCOCC[NH+]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000110922547 208274599 /nfs/dbraw/zinc/27/45/99/208274599.db2.gz WQOVWRFHBGLMDL-UHFFFAOYSA-N 1 1 353.423 0.979 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(CCO)CC1 ZINC000115532663 208325771 /nfs/dbraw/zinc/32/57/71/208325771.db2.gz JYEKFCZESFREQT-UHFFFAOYSA-N 1 1 352.391 0.542 20 5 FCBDMO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000267021667 210461847 /nfs/dbraw/zinc/46/18/47/210461847.db2.gz JIEHCZSTUPXQNK-UHFFFAOYSA-N 1 1 362.386 0.857 20 5 FCBDMO Cc1cc(N2CCC(NC(=O)Cn3ccc([N+](=O)[O-])n3)CC2)nc(C)[nH+]1 ZINC000178175746 209044634 /nfs/dbraw/zinc/04/46/34/209044634.db2.gz DIPNCBZBEVRXRY-UHFFFAOYSA-N 1 1 359.390 0.983 20 5 FCBDMO COC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)C1 ZINC000411921799 533488957 /nfs/dbraw/zinc/48/89/57/533488957.db2.gz SLXMFTJERHTCAO-OLZOCXBDSA-N 1 1 364.402 0.958 20 5 FCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000179433804 209079173 /nfs/dbraw/zinc/07/91/73/209079173.db2.gz JVUNIXBAVOZSRA-DOTOQJQBSA-N 1 1 373.413 0.791 20 5 FCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3cnc[nH]3)CC2)c1 ZINC000179538297 209081425 /nfs/dbraw/zinc/08/14/25/209081425.db2.gz HLFBCDGFMVVYKM-UHFFFAOYSA-N 1 1 351.388 0.824 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000174787081 229212102 /nfs/dbraw/zinc/21/21/02/229212102.db2.gz KUHVOCLBISBFBY-GXTWGEPZSA-N 1 1 361.406 0.570 20 5 FCBDMO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000186819747 533686980 /nfs/dbraw/zinc/68/69/80/533686980.db2.gz FVUFRQFTXYGRHV-CYBMUJFWSA-N 1 1 359.386 0.919 20 5 FCBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000278324001 488868441 /nfs/dbraw/zinc/86/84/41/488868441.db2.gz FGPIDXBPJLSTBA-CYBMUJFWSA-N 1 1 364.402 0.468 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000278575466 488882414 /nfs/dbraw/zinc/88/24/14/488882414.db2.gz XVUWKYGOVICUBN-GFCCVEGCSA-N 1 1 351.407 0.811 20 5 FCBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000326330818 488914523 /nfs/dbraw/zinc/91/45/23/488914523.db2.gz GWAZIMCHMNRJBL-GHMZBOCLSA-N 1 1 359.379 0.875 20 5 FCBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000326330818 488914528 /nfs/dbraw/zinc/91/45/28/488914528.db2.gz GWAZIMCHMNRJBL-GHMZBOCLSA-N 1 1 359.379 0.875 20 5 FCBDMO Cc1c(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000279211960 488925173 /nfs/dbraw/zinc/92/51/73/488925173.db2.gz NVRLSZNGHSVFER-PHIMTYICSA-N 1 1 368.415 0.184 20 5 FCBDMO CC[N@@H+]1CCN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000288212144 488956980 /nfs/dbraw/zinc/95/69/80/488956980.db2.gz CKNBJBOKLOOMDW-SNVBAGLBSA-N 1 1 370.431 0.717 20 5 FCBDMO CC[N@H+]1CCN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000288212144 488956982 /nfs/dbraw/zinc/95/69/82/488956982.db2.gz CKNBJBOKLOOMDW-SNVBAGLBSA-N 1 1 370.431 0.717 20 5 FCBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000364431647 488959476 /nfs/dbraw/zinc/95/94/76/488959476.db2.gz ALQSEZHIBACEEL-CYBMUJFWSA-N 1 1 363.418 0.313 20 5 FCBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000025231420 487661939 /nfs/dbraw/zinc/66/19/39/487661939.db2.gz ZXZZTYVNVNLNHC-UHFFFAOYSA-N 1 1 363.418 0.601 20 5 FCBDMO COC(=O)[C@@H](C)NC(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000029066150 487717062 /nfs/dbraw/zinc/71/70/62/487717062.db2.gz RNECRQDGSOHHDJ-LLVKDONJSA-N 1 1 350.375 0.638 20 5 FCBDMO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000041923039 487847092 /nfs/dbraw/zinc/84/70/92/487847092.db2.gz SDBIJFBSEKBPFX-UHFFFAOYSA-N 1 1 368.390 0.626 20 5 FCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000047458765 488029923 /nfs/dbraw/zinc/02/99/23/488029923.db2.gz JGBOVTUEPMEMFU-UHFFFAOYSA-N 1 1 358.402 0.730 20 5 FCBDMO COC(=O)c1cnc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000364500783 488966288 /nfs/dbraw/zinc/96/62/88/488966288.db2.gz KIMQDXDBOMXTCV-CQSZACIVSA-N 1 1 363.418 0.993 20 5 FCBDMO CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CC[NH+](C)CC1 ZINC000055092904 488235778 /nfs/dbraw/zinc/23/57/78/488235778.db2.gz PMWKFJSMZAATMK-LLVKDONJSA-N 1 1 370.431 0.813 20 5 FCBDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247490623 488486155 /nfs/dbraw/zinc/48/61/55/488486155.db2.gz KXBNTENQOKLWLN-UKRRQHHQSA-N 1 1 353.423 0.636 20 5 FCBDMO Cc1nn(CCC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000102489018 488497923 /nfs/dbraw/zinc/49/79/23/488497923.db2.gz IERNAEIEPGJFSP-CYBMUJFWSA-N 1 1 366.466 0.798 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000104382263 488504638 /nfs/dbraw/zinc/50/46/38/488504638.db2.gz PNWIPIBUBNVRGP-ZDUSSCGKSA-N 1 1 363.418 0.710 20 5 FCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000249161372 488506908 /nfs/dbraw/zinc/50/69/08/488506908.db2.gz YYBZGSUAKQRSMQ-KGLIPLIRSA-N 1 1 350.419 0.945 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000562994629 491206788 /nfs/dbraw/zinc/20/67/88/491206788.db2.gz DMTFMTSSBMESEL-IXDOHACOSA-N 1 1 367.450 0.510 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262548918 488577274 /nfs/dbraw/zinc/57/72/74/488577274.db2.gz UGRMDLBHWZGIPP-ZDUSSCGKSA-N 1 1 362.386 0.640 20 5 FCBDMO COCC[N@@H+](C)CCCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000272814799 488607737 /nfs/dbraw/zinc/60/77/37/488607737.db2.gz KCLDLQZVBGPANT-UHFFFAOYSA-N 1 1 366.418 0.718 20 5 FCBDMO Cc1c(CC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000126585792 488609840 /nfs/dbraw/zinc/60/98/40/488609840.db2.gz BJAQAJKPOSTXSA-QGZVFWFLSA-N 1 1 351.403 0.645 20 5 FCBDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000273004965 488624904 /nfs/dbraw/zinc/62/49/04/488624904.db2.gz YFVBDFDVKCXEQP-LBPRGKRZSA-N 1 1 366.374 0.379 20 5 FCBDMO C[N@@H+](CC(=O)N1CCOCC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273048245 488627964 /nfs/dbraw/zinc/62/79/64/488627964.db2.gz QKSQEHNXMXBMNI-CYBMUJFWSA-N 1 1 353.375 0.125 20 5 FCBDMO C[N@H+](CC(=O)N1CCOCC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273048245 488627966 /nfs/dbraw/zinc/62/79/66/488627966.db2.gz QKSQEHNXMXBMNI-CYBMUJFWSA-N 1 1 353.375 0.125 20 5 FCBDMO C[N@@H+](CCCO)C1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000273496155 488654557 /nfs/dbraw/zinc/65/45/57/488654557.db2.gz QNSFNKGOJYCHMF-UHFFFAOYSA-N 1 1 372.447 0.525 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273535104 488657337 /nfs/dbraw/zinc/65/73/37/488657337.db2.gz CUTWEDMZKDJOBL-AWEZNQCLSA-N 1 1 370.431 0.354 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273535104 488657340 /nfs/dbraw/zinc/65/73/40/488657340.db2.gz CUTWEDMZKDJOBL-AWEZNQCLSA-N 1 1 370.431 0.354 20 5 FCBDMO COc1cc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)c([N+](=O)[O-])cc1OC ZINC000273689830 488667028 /nfs/dbraw/zinc/66/70/28/488667028.db2.gz BEGMKVDXOKLHBO-UHFFFAOYSA-N 1 1 364.358 0.786 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000264454783 488675512 /nfs/dbraw/zinc/67/55/12/488675512.db2.gz DFMOSQDFDKUKPN-AWEZNQCLSA-N 1 1 350.375 0.430 20 5 FCBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000264544041 488683969 /nfs/dbraw/zinc/68/39/69/488683969.db2.gz OEWCPFIWRCLIIQ-OAHLLOKOSA-N 1 1 363.418 0.853 20 5 FCBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000264610652 488690069 /nfs/dbraw/zinc/69/00/69/488690069.db2.gz ZMGYXUFIADCYIB-CYBMUJFWSA-N 1 1 350.375 0.430 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264620866 488691777 /nfs/dbraw/zinc/69/17/77/488691777.db2.gz RNJIIVQZXOCCJT-ZDUSSCGKSA-N 1 1 356.404 0.213 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264620866 488691780 /nfs/dbraw/zinc/69/17/80/488691780.db2.gz RNJIIVQZXOCCJT-ZDUSSCGKSA-N 1 1 356.404 0.213 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000264630483 488692622 /nfs/dbraw/zinc/69/26/22/488692622.db2.gz TZKIKJAMAQMUBA-GFCCVEGCSA-N 1 1 356.404 0.213 20 5 FCBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000264630483 488692624 /nfs/dbraw/zinc/69/26/24/488692624.db2.gz TZKIKJAMAQMUBA-GFCCVEGCSA-N 1 1 356.404 0.213 20 5 FCBDMO Cc1nn(C)c(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000153166709 488727747 /nfs/dbraw/zinc/72/77/47/488727747.db2.gz WPHURQUGKWXUFW-LBPRGKRZSA-N 1 1 364.406 0.015 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](C[C@H](C)O)CC1 ZINC000275036218 488755582 /nfs/dbraw/zinc/75/55/82/488755582.db2.gz DRRUVLAXVXPSCW-LBPRGKRZSA-N 1 1 352.391 0.540 20 5 FCBDMO C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000275135436 488765106 /nfs/dbraw/zinc/76/51/06/488765106.db2.gz LZXKPTJQSAUCEK-LRDDRELGSA-N 1 1 362.386 0.613 20 5 FCBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000267558134 488797536 /nfs/dbraw/zinc/79/75/36/488797536.db2.gz ABKQDMRPIMOGOF-CQSZACIVSA-N 1 1 366.418 0.548 20 5 FCBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174784331 488851082 /nfs/dbraw/zinc/85/10/82/488851082.db2.gz OESKOVSKMIWKSH-MJBXVCDLSA-N 1 1 360.436 0.440 20 5 FCBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000177943807 488859987 /nfs/dbraw/zinc/85/99/87/488859987.db2.gz QLCSOUSDYXKLCQ-AWEZNQCLSA-N 1 1 354.411 0.447 20 5 FCBDMO C[C@@H](O)C[NH+]1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000288355114 488973660 /nfs/dbraw/zinc/97/36/60/488973660.db2.gz GXGIUCXWANJJLK-LLVKDONJSA-N 1 1 362.390 0.679 20 5 FCBDMO C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000364917026 489017015 /nfs/dbraw/zinc/01/70/15/489017015.db2.gz JSOIFAILSNTFML-OAHLLOKOSA-N 1 1 368.459 0.995 20 5 FCBDMO COCC[NH+]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000281235542 489062118 /nfs/dbraw/zinc/06/21/18/489062118.db2.gz SKLJMOFHCHLNNV-UHFFFAOYSA-N 1 1 350.375 0.115 20 5 FCBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000289666377 489084669 /nfs/dbraw/zinc/08/46/69/489084669.db2.gz FWSXSMBHVDIFJR-UHFFFAOYSA-N 1 1 365.434 0.875 20 5 FCBDMO CN(CCCN(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000289666377 489084671 /nfs/dbraw/zinc/08/46/71/489084671.db2.gz FWSXSMBHVDIFJR-UHFFFAOYSA-N 1 1 365.434 0.875 20 5 FCBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+](C)CCOC ZINC000281681370 489097313 /nfs/dbraw/zinc/09/73/13/489097313.db2.gz NBBDUGVEYSWIOG-UHFFFAOYSA-N 1 1 368.390 0.626 20 5 FCBDMO Cc1[nH]nc(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000330697025 489134465 /nfs/dbraw/zinc/13/44/65/489134465.db2.gz CTPLUENQRNCVSL-UHFFFAOYSA-N 1 1 350.423 0.726 20 5 FCBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000282329071 489155471 /nfs/dbraw/zinc/15/54/71/489155471.db2.gz CZYYAFDKIMPJPR-NSHDSACASA-N 1 1 367.381 0.343 20 5 FCBDMO C[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+]1CC(C)(C)O ZINC000331308420 489196476 /nfs/dbraw/zinc/19/64/76/489196476.db2.gz XHDHPVZQQXXMOB-LBPRGKRZSA-N 1 1 353.423 0.830 20 5 FCBDMO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000298111527 489292418 /nfs/dbraw/zinc/29/24/18/489292418.db2.gz YRHUPQQKBYBOKM-ZIAGYGMSSA-N 1 1 358.416 0.844 20 5 FCBDMO CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000298111527 489292421 /nfs/dbraw/zinc/29/24/21/489292421.db2.gz YRHUPQQKBYBOKM-ZIAGYGMSSA-N 1 1 358.416 0.844 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000298448239 489327040 /nfs/dbraw/zinc/32/70/40/489327040.db2.gz HFWDXSOXLWTEQG-NEPJUHHUSA-N 1 1 355.391 0.996 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000370547650 489372918 /nfs/dbraw/zinc/37/29/18/489372918.db2.gz RBUVAEONVCYZND-KGLIPLIRSA-N 1 1 351.407 0.859 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000362934590 489405737 /nfs/dbraw/zinc/40/57/37/489405737.db2.gz ZPBYEPSLLTVDIX-KGLIPLIRSA-N 1 1 362.386 0.821 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000362934592 489406420 /nfs/dbraw/zinc/40/64/20/489406420.db2.gz ZPBYEPSLLTVDIX-ZIAGYGMSSA-N 1 1 362.386 0.821 20 5 FCBDMO CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000363537554 489477651 /nfs/dbraw/zinc/47/76/51/489477651.db2.gz ZZJUFQFJTAPYGD-UKRRQHHQSA-N 1 1 373.431 0.348 20 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CNc1nc(C(=O)N(C)CCCN(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000456055629 489605897 /nfs/dbraw/zinc/60/58/97/489605897.db2.gz SUQBIBNPUMOFDS-UHFFFAOYSA-N 1 1 352.439 0.987 20 5 FCBDMO C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C[C@H](C)[N@H+]1CCO ZINC000456223425 489611574 /nfs/dbraw/zinc/61/15/74/489611574.db2.gz KBBJEOACCQMAME-BETUJISGSA-N 1 1 374.401 0.703 20 5 FCBDMO C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000456223425 489611576 /nfs/dbraw/zinc/61/15/76/489611576.db2.gz KBBJEOACCQMAME-BETUJISGSA-N 1 1 374.401 0.703 20 5 FCBDMO COc1cc(C(=O)N2CC[N@H+](CCO)C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000457081180 489634495 /nfs/dbraw/zinc/63/44/95/489634495.db2.gz BCAFZIYWKLARSE-LLVKDONJSA-N 1 1 353.375 0.751 20 5 FCBDMO COc1cc(C(=O)N2CC[N@@H+](CCO)C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000457081180 489634497 /nfs/dbraw/zinc/63/44/97/489634497.db2.gz BCAFZIYWKLARSE-LLVKDONJSA-N 1 1 353.375 0.751 20 5 FCBDMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000457125504 489637540 /nfs/dbraw/zinc/63/75/40/489637540.db2.gz QHVZPTRPBUTFAI-OAHLLOKOSA-N 1 1 360.418 0.028 20 5 FCBDMO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000372818629 489639346 /nfs/dbraw/zinc/63/93/46/489639346.db2.gz AMUVSWYVCVPFHN-HZPDHXFCSA-N 1 1 369.443 0.920 20 5 FCBDMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000428819530 489665628 /nfs/dbraw/zinc/66/56/28/489665628.db2.gz QBRXAKCYQQOIIK-AEFFLSMTSA-N 1 1 374.397 0.969 20 5 FCBDMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000428819532 489665655 /nfs/dbraw/zinc/66/56/55/489665655.db2.gz QBRXAKCYQQOIIK-FUHWJXTLSA-N 1 1 374.397 0.969 20 5 FCBDMO COC(=O)c1cc([N+](=O)[O-])cn(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1=O ZINC000474671228 489778415 /nfs/dbraw/zinc/77/84/15/489778415.db2.gz IKLSYHSWESCTMO-NTZNESFSSA-N 1 1 369.374 0.013 20 5 FCBDMO COC(=O)c1cc([N+](=O)[O-])cn(C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1=O ZINC000474671228 489778421 /nfs/dbraw/zinc/77/84/21/489778421.db2.gz IKLSYHSWESCTMO-NTZNESFSSA-N 1 1 369.374 0.013 20 5 FCBDMO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1N1CCN(C)CC1 ZINC000490653769 489779430 /nfs/dbraw/zinc/77/94/30/489779430.db2.gz YIOFEHCADNPRPT-OIISXLGYSA-N 1 1 366.466 0.110 20 5 FCBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1N1CCN(C)CC1 ZINC000490653769 489779432 /nfs/dbraw/zinc/77/94/32/489779432.db2.gz YIOFEHCADNPRPT-OIISXLGYSA-N 1 1 366.466 0.110 20 5 FCBDMO NS(=O)(=O)c1cccc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000376898349 489814186 /nfs/dbraw/zinc/81/41/86/489814186.db2.gz VYGKFRYVTBQEQF-QWRGUYRKSA-N 1 1 356.404 0.517 20 5 FCBDMO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](CO)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000494812912 489914430 /nfs/dbraw/zinc/91/44/30/489914430.db2.gz VJAROSLNEKIULV-IINYFYTJSA-N 1 1 363.374 0.987 20 5 FCBDMO NC(=O)c1cccc([N+](=O)[O-])c1NCC1([NH+]2CCOCC2)CCOCC1 ZINC000420639562 490003824 /nfs/dbraw/zinc/00/38/24/490003824.db2.gz QPWKTRHOIYDVKV-UHFFFAOYSA-N 1 1 364.402 0.987 20 5 FCBDMO C[C@](O)(CNC(=O)COc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000478556079 490025276 /nfs/dbraw/zinc/02/52/76/490025276.db2.gz GKUIASCRZDLRPF-INIZCTEOSA-N 1 1 353.375 0.173 20 5 FCBDMO CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000546046265 490181819 /nfs/dbraw/zinc/18/18/19/490181819.db2.gz BQBVQTNYSKHWAB-UHFFFAOYSA-N 1 1 358.420 0.572 20 5 FCBDMO Cc1ccc(S(=O)(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000408027956 490214466 /nfs/dbraw/zinc/21/44/66/490214466.db2.gz NBHHOKHMQLHABI-KBPBESRZSA-N 1 1 355.416 0.997 20 5 FCBDMO Cc1ccc(S(=O)(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000408027956 490214470 /nfs/dbraw/zinc/21/44/70/490214470.db2.gz NBHHOKHMQLHABI-KBPBESRZSA-N 1 1 355.416 0.997 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000521678873 490291299 /nfs/dbraw/zinc/29/12/99/490291299.db2.gz RJSBBPKSYJQNJK-ZDUSSCGKSA-N 1 1 350.375 0.673 20 5 FCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000533842908 490291557 /nfs/dbraw/zinc/29/15/57/490291557.db2.gz PYNSQSYHENDRKX-LBPRGKRZSA-N 1 1 356.404 0.595 20 5 FCBDMO COc1ccc(NC(=O)CC[NH+]2CCN(C(=O)CO)CC2)c([N+](=O)[O-])c1 ZINC000534022903 490310551 /nfs/dbraw/zinc/31/05/51/490310551.db2.gz ZCGRECCFSBABRG-UHFFFAOYSA-N 1 1 366.374 0.069 20 5 FCBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000498722352 490331808 /nfs/dbraw/zinc/33/18/08/490331808.db2.gz ODNUZLXQYYGNEO-CYBMUJFWSA-N 1 1 363.418 0.947 20 5 FCBDMO COc1cc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000449524404 490413751 /nfs/dbraw/zinc/41/37/51/490413751.db2.gz QKRCQJXDZPHWFK-DTORHVGOSA-N 1 1 371.296 0.909 20 5 FCBDMO COc1cc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000449524404 490413760 /nfs/dbraw/zinc/41/37/60/490413760.db2.gz QKRCQJXDZPHWFK-DTORHVGOSA-N 1 1 371.296 0.909 20 5 FCBDMO Cc1cc(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000411279278 490419386 /nfs/dbraw/zinc/41/93/86/490419386.db2.gz BIHVMJWJIDVIGY-UHFFFAOYSA-N 1 1 364.402 0.757 20 5 FCBDMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000535004407 490435351 /nfs/dbraw/zinc/43/53/51/490435351.db2.gz GKDHMZNQGNOVHA-OAHLLOKOSA-N 1 1 360.418 0.028 20 5 FCBDMO CNc1nccc(C(=O)N2CC[NH+](C(C)(C)COC)CC2)c1[N+](=O)[O-] ZINC000571775592 491328285 /nfs/dbraw/zinc/32/82/85/491328285.db2.gz AEPRCFSWZGMGEM-UHFFFAOYSA-N 1 1 351.407 1.214 20 5 FCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[NH+](CCOC)CC1 ZINC000469004289 490476188 /nfs/dbraw/zinc/47/61/88/490476188.db2.gz OMSSZFISNVGDKR-CYBMUJFWSA-N 1 1 368.438 0.618 20 5 FCBDMO CC[NH+]1CCN(CCCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000548414413 490481597 /nfs/dbraw/zinc/48/15/97/490481597.db2.gz RTIASLUQZCSEPD-UHFFFAOYSA-N 1 1 350.423 0.720 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC[N@@H+](C)C1 ZINC000413907021 490513133 /nfs/dbraw/zinc/51/31/33/490513133.db2.gz SKHMPCDKJYSOLC-CYBMUJFWSA-N 1 1 365.386 0.845 20 5 FCBDMO COc1cc(C(=O)NCCC[NH+]2CCN(C)CC2)cc([N+](=O)[O-])c1OC ZINC000525523603 490610772 /nfs/dbraw/zinc/61/07/72/490610772.db2.gz LEUFPBYUFRFUGP-UHFFFAOYSA-N 1 1 366.418 0.979 20 5 FCBDMO Cc1c(C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000571960666 491339878 /nfs/dbraw/zinc/33/98/78/491339878.db2.gz TVRNVYGQWYRCRP-UHFFFAOYSA-N 1 1 370.431 0.717 20 5 FCBDMO Cc1c(C(=O)N2CC[N@H+](C)C(C)(C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000571960666 491339880 /nfs/dbraw/zinc/33/98/80/491339880.db2.gz TVRNVYGQWYRCRP-UHFFFAOYSA-N 1 1 370.431 0.717 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000526087790 490674364 /nfs/dbraw/zinc/67/43/64/490674364.db2.gz OZLHUJDBVKONBZ-NSHDSACASA-N 1 1 350.375 1.000 20 5 FCBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000538917708 490756634 /nfs/dbraw/zinc/75/66/34/490756634.db2.gz GLDOSPLGUUPGTD-QWHCGFSZSA-N 1 1 363.418 0.945 20 5 FCBDMO C[C@@H]1[C@H](C)N(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000538917707 490756911 /nfs/dbraw/zinc/75/69/11/490756911.db2.gz GLDOSPLGUUPGTD-OLZOCXBDSA-N 1 1 363.418 0.945 20 5 FCBDMO C[NH+]1CCN(CCC(C)(C)Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000514896794 490796387 /nfs/dbraw/zinc/79/63/87/490796387.db2.gz ITMRKRKVMXWUKK-UHFFFAOYSA-N 1 1 350.423 0.917 20 5 FCBDMO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CCCOCC1 ZINC000516535873 490867338 /nfs/dbraw/zinc/86/73/38/490867338.db2.gz UXWJHUBDYLTOHM-UHFFFAOYSA-N 1 1 352.391 0.995 20 5 FCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000517082959 490894577 /nfs/dbraw/zinc/89/45/77/490894577.db2.gz JXPFBMLTXKPIMG-UHFFFAOYSA-N 1 1 363.418 0.560 20 5 FCBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000542971783 490917356 /nfs/dbraw/zinc/91/73/56/490917356.db2.gz UGRSCOXXWIMJFA-INIZCTEOSA-N 1 1 353.375 0.877 20 5 FCBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](CO)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000519680726 490983670 /nfs/dbraw/zinc/98/36/70/490983670.db2.gz VDZXYKGQCGJBNT-IAQYHMDHSA-N 1 1 353.375 0.607 20 5 FCBDMO CCC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)N(C)C1=O ZINC000566808877 491468262 /nfs/dbraw/zinc/46/82/62/491468262.db2.gz FIYSUXYYPFJREC-HIFRSBDPSA-N 1 1 365.386 0.804 20 5 FCBDMO C[C@H]1COCC[N@@H+]1C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000559640857 491488767 /nfs/dbraw/zinc/48/87/67/491488767.db2.gz SSQYJUMVKYCPPN-BBRMVZONSA-N 1 1 353.423 0.337 20 5 FCBDMO C[C@H]1COCC[N@H+]1C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000559640857 491488769 /nfs/dbraw/zinc/48/87/69/491488769.db2.gz SSQYJUMVKYCPPN-BBRMVZONSA-N 1 1 353.423 0.337 20 5 FCBDMO CC[N@@H+](C)C[C@@H](O)Cn1cnc2c(cnn2-c2ccccc2[N+](=O)[O-])c1=O ZINC000567520707 491511848 /nfs/dbraw/zinc/51/18/48/491511848.db2.gz BJUMBJNAIOJGBU-GFCCVEGCSA-N 1 1 372.385 0.803 20 5 FCBDMO COCCN(CC[NH+](C)C)C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000577222291 491604579 /nfs/dbraw/zinc/60/45/79/491604579.db2.gz JJLCXHCQFZANHQ-UHFFFAOYSA-N 1 1 373.431 0.649 20 5 FCBDMO CC[N@@H+](C)C[C@@H](O)CN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000578203066 491672025 /nfs/dbraw/zinc/67/20/25/491672025.db2.gz GWCKMEAZWFNUEH-CQSZACIVSA-N 1 1 374.463 0.118 20 5 FCBDMO C[N@@H+](C[C@@H](O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C1CC1 ZINC000579052300 491690062 /nfs/dbraw/zinc/69/00/62/491690062.db2.gz DIHGJCXQMAXBGD-CYBMUJFWSA-N 1 1 368.459 0.869 20 5 FCBDMO CNc1nccc(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000579817117 491705790 /nfs/dbraw/zinc/70/57/90/491705790.db2.gz JUJJNCOQLQJJLV-UHFFFAOYSA-N 1 1 365.434 1.462 20 5 FCBDMO Cn1c2cc([N+](=O)[O-])c(N3CC[N@@H+](CCO)C(C)(C)C3)cc2n(C)c1=O ZINC000588026817 491737584 /nfs/dbraw/zinc/73/75/84/491737584.db2.gz GTFTWHVLOSYEPQ-UHFFFAOYSA-N 1 1 363.418 0.678 20 5 FCBDMO O=C(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)c1cc([N+](=O)[O-])n[nH]1 ZINC000580591231 491737576 /nfs/dbraw/zinc/73/75/76/491737576.db2.gz YPTCZDFAUWGKQX-ZFWWWQNUSA-N 1 1 359.386 0.931 20 5 FCBDMO Cc1c(CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000588777677 491749323 /nfs/dbraw/zinc/74/93/23/491749323.db2.gz SDUVXNAOWXHTJI-WFASDCNBSA-N 1 1 364.402 0.355 20 5 FCBDMO Cc1c(CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000588777677 491749325 /nfs/dbraw/zinc/74/93/25/491749325.db2.gz SDUVXNAOWXHTJI-WFASDCNBSA-N 1 1 364.402 0.355 20 5 FCBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[N@@H+](C)CCN(C)C ZINC000588903577 491751663 /nfs/dbraw/zinc/75/16/63/491751663.db2.gz OPBKDJAEXWIOSR-UHFFFAOYSA-N 1 1 374.463 0.765 20 5 FCBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCN(C)CC[NH+](C)C ZINC000588903577 491751664 /nfs/dbraw/zinc/75/16/64/491751664.db2.gz OPBKDJAEXWIOSR-UHFFFAOYSA-N 1 1 374.463 0.765 20 5 FCBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000589408078 491761395 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CN(C(=O)C[NH+]1CCC(C(=O)NCCO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000749672637 1219806309 /nfs/dbraw/zinc/80/63/09/1219806309.db2.gz AYQDCGPDIPGNPB-UHFFFAOYSA-N 1 1 364.402 0.378 20 5 FCBDMO CCOCCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001115530567 1221311685 /nfs/dbraw/zinc/31/16/85/1221311685.db2.gz DPOGZMWFJRNDSC-ZIAGYGMSSA-N 1 1 370.450 0.213 20 5 FCBDMO O=C(NCCC[N@H+](CCOCCO)Cc1cccnc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001230756843 1226087316 /nfs/dbraw/zinc/08/73/16/1226087316.db2.gz NKNXGLPHEYMCPZ-HZPDHXFCSA-N 1 1 366.418 0.064 20 5 FCBDMO O=C(NCCC[N@@H+](CCOCCO)Cc1cccnc1)[C@@H]1CC1[N+](=O)[O-] ZINC001230756843 1226087323 /nfs/dbraw/zinc/08/73/23/1226087323.db2.gz NKNXGLPHEYMCPZ-HZPDHXFCSA-N 1 1 366.418 0.064 20 5 FCBDMO O=C(NCCC[N@H+](CCOCCO)Cc1cccnc1)[C@@H]1CC1[N+](=O)[O-] ZINC001230756843 1226087328 /nfs/dbraw/zinc/08/73/28/1226087328.db2.gz NKNXGLPHEYMCPZ-HZPDHXFCSA-N 1 1 366.418 0.064 20 5 FCBDMO C[C@H](Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)[C@H]1C[N@@H+](C)CCN1C 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CC(C)N1CC[NH+](CCCOC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001340745915 1268641815 /nfs/dbraw/zinc/64/18/15/1268641815.db2.gz CSMFYAAIBJDKDW-UHFFFAOYSA-N 1 1 366.418 0.716 20 5 FCBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001342139347 1269367755 /nfs/dbraw/zinc/36/77/55/1269367755.db2.gz OJRGJTIZMCRIJD-ZDUSSCGKSA-N 1 1 366.422 0.288 20 5 FCBDMO COCCn1c([C@@H](C)[N+](=O)[O-])nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001343065436 1269754486 /nfs/dbraw/zinc/75/44/86/1269754486.db2.gz OZKUUJQZGYPFAI-CYBMUJFWSA-N 1 1 370.454 0.809 20 5 FCBDMO COCCn1c([C@@H](C)[N+](=O)[O-])nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001343065436 1269754492 /nfs/dbraw/zinc/75/44/92/1269754492.db2.gz OZKUUJQZGYPFAI-CYBMUJFWSA-N 1 1 370.454 0.809 20 5 FCBDMO CC(C)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)[NH+]1CCOCC1 ZINC001589461666 1282886917 /nfs/dbraw/zinc/88/69/17/1282886917.db2.gz ZNAOPTORQPUCAL-ZDUSSCGKSA-N 1 1 362.394 0.939 20 5 FCBDMO C[C@H](O)C[N@H+]1CCN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC001590002108 1283171300 /nfs/dbraw/zinc/17/13/00/1283171300.db2.gz QHRYZOWZPSNHSE-NEPJUHHUSA-N 1 1 361.406 0.662 20 5 FCBDMO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001591250287 1284407065 /nfs/dbraw/zinc/40/70/65/1284407065.db2.gz LYPLKRAEISMDBE-RYUDHWBXSA-N 1 1 362.346 0.131 20 5 FCBDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001591250287 1284407066 /nfs/dbraw/zinc/40/70/66/1284407066.db2.gz LYPLKRAEISMDBE-RYUDHWBXSA-N 1 1 362.346 0.131 20 5 FCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001593470444 1286173022 /nfs/dbraw/zinc/17/30/22/1286173022.db2.gz NHXXITBCWBOVDR-GFCCVEGCSA-N 1 1 360.378 0.205 20 5 FCBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001593481237 1286173832 /nfs/dbraw/zinc/17/38/32/1286173832.db2.gz PPDJVSZPLSKTCM-OLZOCXBDSA-N 1 1 359.390 0.810 20 5 FCBDMO C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)C[C@H](C)[N@@H+]1CCO ZINC001609376423 1289128787 /nfs/dbraw/zinc/12/87/87/1289128787.db2.gz ULEKTNQORGAZPR-AOOOYVTPSA-N 1 1 362.394 0.248 20 5 FCBDMO CN1CCN(Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC001604865862 1287803822 /nfs/dbraw/zinc/80/38/22/1287803822.db2.gz PWPKZOSBWWOVOC-UHFFFAOYSA-N 1 1 360.422 0.454 20 5 FCBDMO O=[N+]([O-])c1ccc(N2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)cn1 ZINC001607082928 1288651829 /nfs/dbraw/zinc/65/18/29/1288651829.db2.gz WXXQQCKZJPMLEP-UHFFFAOYSA-N 1 1 353.346 0.892 20 5 FCBDMO CC1(C)OCC(CO)([NH2+]Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CO1 ZINC001609147666 1288948867 /nfs/dbraw/zinc/94/88/67/1288948867.db2.gz HFMNJYAXTQVIAB-UHFFFAOYSA-N 1 1 364.362 0.379 20 5 FCBDMO O=C(C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NC1CCCC1 ZINC001698707653 1289533387 /nfs/dbraw/zinc/53/33/87/1289533387.db2.gz OBZNTRUMNMEILC-NMFUWQPSSA-N 1 1 352.435 0.727 20 5 FCBDMO CC(C)(C)NC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001754952272 1290638187 /nfs/dbraw/zinc/63/81/87/1290638187.db2.gz XNSWJEHXEBTLME-AAVRWANBSA-N 1 1 354.451 0.831 20 5 FCBDMO Cc1nc(C)n(CC[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001754952299 1290638962 /nfs/dbraw/zinc/63/89/62/1290638962.db2.gz YBGIBWAIBNBOIK-KLHDSHLOSA-N 1 1 364.450 0.825 20 5 FCBDMO CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001688398107 1294489233 /nfs/dbraw/zinc/48/92/33/1294489233.db2.gz WXHKFAJLJNLCQW-HZPDHXFCSA-N 1 1 366.462 0.738 20 5 FCBDMO C[N@@H+](CCc1ccccc1)CC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001688643568 1294516895 /nfs/dbraw/zinc/51/68/95/1294516895.db2.gz DBCYWZPFMDZPBH-HZPDHXFCSA-N 1 1 360.414 0.153 20 5 FCBDMO CN(C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1nccs1 ZINC001688931733 1294549841 /nfs/dbraw/zinc/54/98/41/1294549841.db2.gz PCAVDVOGQSOYGE-DDHJBXDOSA-N 1 1 367.431 0.256 20 5 FCBDMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NCc1cccs1 ZINC001690274592 1294862311 /nfs/dbraw/zinc/86/23/11/1294862311.db2.gz WKFLAXMEAOLSPI-FPQZTECRSA-N 1 1 352.416 0.266 20 5 FCBDMO CN(CC(F)(F)F)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001691782431 1294921443 /nfs/dbraw/zinc/92/14/43/1294921443.db2.gz GFMGSHBEVJLRAB-GWOFURMSSA-N 1 1 366.340 0.157 20 5 FCBDMO Cc1ncc([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164743872 720683468 /nfs/dbraw/zinc/68/34/68/720683468.db2.gz YLUAIYSFZVOQFO-QWHCGFSZSA-N 1 1 357.374 0.825 20 5 FCBDMO CC[NH+](CC)CC(=O)N1CCC(CC)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001069390323 837528890 /nfs/dbraw/zinc/52/88/90/837528890.db2.gz MQQGASTWRXGZCF-ZIAGYGMSSA-N 1 1 354.451 0.881 20 5 FCBDMO O=C(NC1(CNC(=O)C23CCC[NH+]2CCC3)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001063707407 836782927 /nfs/dbraw/zinc/78/29/27/836782927.db2.gz NARUCVUQFSSXOZ-CHWSQXEVSA-N 1 1 350.419 0.435 20 5 FCBDMO CCCCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001115530916 846561564 /nfs/dbraw/zinc/56/15/64/846561564.db2.gz YXEJJSVISFCGBV-ZIAGYGMSSA-N 1 1 354.451 0.977 20 5 FCBDMO CCOCC[NH+]1CCN(c2nnc(-c3[nH]cnc3[N+](=O)[O-])n2C)CC1 ZINC001122934900 848556237 /nfs/dbraw/zinc/55/62/37/848556237.db2.gz FUTFYOLLTLBKIR-UHFFFAOYSA-N 1 1 350.383 0.272 20 5 FCBDMO CN(Cc1ccc(F)cc1)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126943499 848714670 /nfs/dbraw/zinc/71/46/70/848714670.db2.gz PHSQZUXCONPQGG-ZIAGYGMSSA-N 1 1 352.366 0.155 20 5 FCBDMO CN(Cc1ccc(Cl)cc1)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126939430 848714750 /nfs/dbraw/zinc/71/47/50/848714750.db2.gz YAEHYRRWLDDOSD-ZIAGYGMSSA-N 1 1 368.821 0.669 20 5 FCBDMO Cc1cc(Cl)ccc1NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126939415 848714907 /nfs/dbraw/zinc/71/49/07/848714907.db2.gz XMAOPCGQOQHQOP-DGCLKSJQSA-N 1 1 354.794 0.958 20 5 FCBDMO NC(=O)C[NH+]1CCC(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001150065281 849654974 /nfs/dbraw/zinc/65/49/74/849654974.db2.gz HFMHIOSKKOWOKR-UHFFFAOYSA-N 1 1 354.794 0.857 20 5 FCBDMO [NH3+][C@@H]1NCN(c2ccc3ccc4ccc(Cl)nc4c3n2)[C@H]2NCN[C@@H]21 ZINC001162440749 850315819 /nfs/dbraw/zinc/31/58/19/850315819.db2.gz UWMBGUOPRQQTBV-BRWVUGGUSA-N 1 1 355.833 0.933 20 5 FCBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[NH2+][C@H](C(N)=O)C1 ZINC001166724325 850496725 /nfs/dbraw/zinc/49/67/25/850496725.db2.gz SHOOWXRVSTZGKI-QMMMGPOBSA-N 1 1 357.754 0.083 20 5 FCBDMO CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169023465 850602134 /nfs/dbraw/zinc/60/21/34/850602134.db2.gz ULVLAVQUZIMSCT-QBYUYEEZSA-N 1 1 355.435 0.818 20 5 FCBDMO CNC(=O)CN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169017514 850602664 /nfs/dbraw/zinc/60/26/64/850602664.db2.gz AEVRQZZKTQEDFF-CPUCHLNUSA-N 1 1 352.435 0.635 20 5 FCBDMO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]1C(N)=O ZINC001169038267 850603576 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/nfs/dbraw/zinc/43/39/81/488433981.db2.gz CVMJJZDGYMOUFT-UHFFFAOYSA-N 1 1 359.386 0.940 20 5 FCBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000269138016 488472876 /nfs/dbraw/zinc/47/28/76/488472876.db2.gz KUEHGAAMYLHLKM-LBPRGKRZSA-N 1 1 370.431 0.401 20 5 FCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000269420360 488501289 /nfs/dbraw/zinc/50/12/89/488501289.db2.gz OVTCHLBKIWOLFY-CQSZACIVSA-N 1 1 352.391 0.110 20 5 FCBDMO O=C1C[NH2+]CCN1[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000262019709 488546390 /nfs/dbraw/zinc/54/63/90/488546390.db2.gz IMPLYIHSOUXQDD-CYBMUJFWSA-N 1 1 368.415 0.180 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000569962450 491206569 /nfs/dbraw/zinc/20/65/69/491206569.db2.gz YCGLOZIIOJHFON-OAGGEKHMSA-N 1 1 353.423 0.120 20 5 FCBDMO C[C@@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000125355861 488600278 /nfs/dbraw/zinc/60/02/78/488600278.db2.gz HWVMXCWYHBUROH-ZDUSSCGKSA-N 1 1 363.418 0.077 20 5 FCBDMO COc1ccc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000272848941 488611238 /nfs/dbraw/zinc/61/12/38/488611238.db2.gz HLHIDLBGJVETNN-UHFFFAOYSA-N 1 1 366.374 0.380 20 5 FCBDMO COc1ccc(NC(=O)C(=O)NCC[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000272864686 488612724 /nfs/dbraw/zinc/61/27/24/488612724.db2.gz JLYQKRIPLMQBKG-UHFFFAOYSA-N 1 1 368.415 0.707 20 5 FCBDMO C[C@@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@H]1C[N@H+](C)CCO1 ZINC000126994830 488613596 /nfs/dbraw/zinc/61/35/96/488613596.db2.gz QGIILSLIFLEPJN-QMTHXVAHSA-N 1 1 364.358 0.338 20 5 FCBDMO C[C@@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@H]1C[N@@H+](C)CCO1 ZINC000126994830 488613598 /nfs/dbraw/zinc/61/35/98/488613598.db2.gz QGIILSLIFLEPJN-QMTHXVAHSA-N 1 1 364.358 0.338 20 5 FCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272979081 488622104 /nfs/dbraw/zinc/62/21/04/488622104.db2.gz KWMFMNQXQMEONT-BLLLJJGKSA-N 1 1 361.402 0.450 20 5 FCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272980378 488622361 /nfs/dbraw/zinc/62/23/61/488622361.db2.gz KWMFMNQXQMEONT-WBMJQRKESA-N 1 1 361.402 0.450 20 5 FCBDMO C[N@@H+](CC(=O)N1CCOCC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273048248 488627806 /nfs/dbraw/zinc/62/78/06/488627806.db2.gz QKSQEHNXMXBMNI-ZDUSSCGKSA-N 1 1 353.375 0.125 20 5 FCBDMO C[N@H+](CC(=O)N1CCOCC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273048248 488627809 /nfs/dbraw/zinc/62/78/09/488627809.db2.gz QKSQEHNXMXBMNI-ZDUSSCGKSA-N 1 1 353.375 0.125 20 5 FCBDMO CC[N@@H+](C)C[C@H](O)CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000570056649 491213372 /nfs/dbraw/zinc/21/33/72/491213372.db2.gz JUDBTOHFLXPFMN-AWEZNQCLSA-N 1 1 350.419 0.665 20 5 FCBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H](C(N)=O)O1 ZINC000273204372 488637562 /nfs/dbraw/zinc/63/75/62/488637562.db2.gz SNLOAUTXFRIOKU-RNCFNFMXSA-N 1 1 354.338 0.637 20 5 FCBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H](C(N)=O)O1 ZINC000273204372 488637565 /nfs/dbraw/zinc/63/75/65/488637565.db2.gz SNLOAUTXFRIOKU-RNCFNFMXSA-N 1 1 354.338 0.637 20 5 FCBDMO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000273626576 488663551 /nfs/dbraw/zinc/66/35/51/488663551.db2.gz WPDREXWPMSMGHA-GFCCVEGCSA-N 1 1 369.399 0.850 20 5 FCBDMO Cc1cc(=O)c(C(=O)N2CC([NH+](C)C)C2)nn1-c1ccccc1[N+](=O)[O-] ZINC000135644808 488674648 /nfs/dbraw/zinc/67/46/48/488674648.db2.gz NXZZPUZRCJDNRX-UHFFFAOYSA-N 1 1 357.370 0.835 20 5 FCBDMO COc1cc(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000264501427 488680137 /nfs/dbraw/zinc/68/01/37/488680137.db2.gz KJTYTDSIQYGPIF-ZDUSSCGKSA-N 1 1 350.375 0.673 20 5 FCBDMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000264519259 488682064 /nfs/dbraw/zinc/68/20/64/488682064.db2.gz LXWUVPGUCBZTEK-LBPRGKRZSA-N 1 1 358.420 0.479 20 5 FCBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C1 ZINC000264550656 488684598 /nfs/dbraw/zinc/68/45/98/488684598.db2.gz OYMFBSAZXPSMOM-CYBMUJFWSA-N 1 1 374.401 0.934 20 5 FCBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000264567104 488686184 /nfs/dbraw/zinc/68/61/84/488686184.db2.gz RTVRQMBCLCFZIB-HNNXBMFYSA-N 1 1 363.418 0.730 20 5 FCBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000264598200 488688584 /nfs/dbraw/zinc/68/85/84/488688584.db2.gz XGOCEURXBHPRDK-ZDUSSCGKSA-N 1 1 351.359 0.832 20 5 FCBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000264611732 488690721 /nfs/dbraw/zinc/69/07/21/488690721.db2.gz ZQEDWCIWNNWSQU-CQSZACIVSA-N 1 1 364.402 0.820 20 5 FCBDMO CCOCC[NH+]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000264707702 488701067 /nfs/dbraw/zinc/70/10/67/488701067.db2.gz AWXMISCABQJADG-UHFFFAOYSA-N 1 1 364.402 0.505 20 5 FCBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000151280463 488703419 /nfs/dbraw/zinc/70/34/19/488703419.db2.gz SHMBRWHRUIBSQH-CQSZACIVSA-N 1 1 367.454 0.364 20 5 FCBDMO CCS(=O)(=O)NCCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000151726390 488709085 /nfs/dbraw/zinc/70/90/85/488709085.db2.gz UFWHPLSAJMXGAE-GFCCVEGCSA-N 1 1 357.436 0.805 20 5 FCBDMO CC[N@@H+](CCO)CCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000274500510 488714645 /nfs/dbraw/zinc/71/46/45/488714645.db2.gz DUMYWGOIOARYDO-UHFFFAOYSA-N 1 1 372.809 0.408 20 5 FCBDMO CNC(=O)C[NH+]1CCC(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000152460258 488718155 /nfs/dbraw/zinc/71/81/55/488718155.db2.gz XAAZHCPWWGTDOJ-UHFFFAOYSA-N 1 1 373.413 0.945 20 5 FCBDMO Cc1c(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000266871840 488739048 /nfs/dbraw/zinc/73/90/48/488739048.db2.gz XYFWTWAGJVNUFO-SECBINFHSA-N 1 1 370.431 0.763 20 5 FCBDMO COC(=O)Cn1cc(CC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000156117931 488762584 /nfs/dbraw/zinc/76/25/84/488762584.db2.gz KQMXTEXQRWUIMU-UHFFFAOYSA-N 1 1 374.401 0.724 20 5 FCBDMO Cn1c(=O)cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n(C)c1=O ZINC000172358287 488833337 /nfs/dbraw/zinc/83/33/37/488833337.db2.gz CRDWWENRWHEZTP-NSHDSACASA-N 1 1 360.374 0.074 20 5 FCBDMO Cc1nn(CCC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000174333428 488848765 /nfs/dbraw/zinc/84/87/65/488848765.db2.gz ONUSFFOPSAFGMF-VXGBXAGGSA-N 1 1 353.423 0.712 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000570266750 491228754 /nfs/dbraw/zinc/22/87/54/491228754.db2.gz JCYGHFWQLOWKOB-JTQLQIEISA-N 1 1 351.363 0.013 20 5 FCBDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000281501731 489080726 /nfs/dbraw/zinc/08/07/26/489080726.db2.gz UJNCLHOBSBPOGK-GOEBONIOSA-N 1 1 370.406 0.444 20 5 FCBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000281732674 489101927 /nfs/dbraw/zinc/10/19/27/489101927.db2.gz XXFLCPREXKEVIF-OLZOCXBDSA-N 1 1 374.401 0.703 20 5 FCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000281732674 489101929 /nfs/dbraw/zinc/10/19/29/489101929.db2.gz XXFLCPREXKEVIF-OLZOCXBDSA-N 1 1 374.401 0.703 20 5 FCBDMO CN(C)S(=O)(=O)CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000330531842 489113275 /nfs/dbraw/zinc/11/32/75/489113275.db2.gz PKRZIGPJQFKMQG-UHFFFAOYSA-N 1 1 356.448 0.998 20 5 FCBDMO Cc1nn(CCC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c(C)c1[N+](=O)[O-] ZINC000366042299 489138183 /nfs/dbraw/zinc/13/81/83/489138183.db2.gz RPFYNJQNPIPSML-AWEZNQCLSA-N 1 1 351.407 0.731 20 5 FCBDMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000366062700 489140260 /nfs/dbraw/zinc/14/02/60/489140260.db2.gz SMGWRVCLRSXZEN-AWEZNQCLSA-N 1 1 366.393 0.870 20 5 FCBDMO C[N@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@@H]2C1 ZINC000291492002 489174343 /nfs/dbraw/zinc/17/43/43/489174343.db2.gz BHZCGDZYJYQGTJ-SMDDNHRTSA-N 1 1 372.381 0.743 20 5 FCBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1F ZINC000283163688 489221647 /nfs/dbraw/zinc/22/16/47/489221647.db2.gz PCKLGWIGSRLWGH-HIFRSBDPSA-N 1 1 373.406 0.321 20 5 FCBDMO C[C@H](CO)[N@H+]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000368966765 489223226 /nfs/dbraw/zinc/22/32/26/489223226.db2.gz RCNFDQUYGOGEKS-CABCVRRESA-N 1 1 353.419 0.723 20 5 FCBDMO O=C1CCCN1C[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000369826301 489280204 /nfs/dbraw/zinc/28/02/04/489280204.db2.gz SSOLELOUVXQSCI-ZFWWWQNUSA-N 1 1 351.407 0.629 20 5 FCBDMO Nc1c(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000370157348 489322526 /nfs/dbraw/zinc/32/25/26/489322526.db2.gz YWVMDAURLLXYLE-ZDUSSCGKSA-N 1 1 363.418 0.313 20 5 FCBDMO C[N@H+]1CCCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000298650121 489348989 /nfs/dbraw/zinc/34/89/89/489348989.db2.gz CDPXCAUHUHLKMY-UHFFFAOYSA-N 1 1 361.446 0.881 20 5 FCBDMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000298675075 489351844 /nfs/dbraw/zinc/35/18/44/489351844.db2.gz RRDDCLLJVGUDSE-UHFFFAOYSA-N 1 1 352.391 0.581 20 5 FCBDMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000298972801 489389588 /nfs/dbraw/zinc/38/95/88/489389588.db2.gz IAKKIDDNKKUOMU-UHFFFAOYSA-N 1 1 374.394 0.176 20 5 FCBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363096195 489423415 /nfs/dbraw/zinc/42/34/15/489423415.db2.gz ZVIUKYLECDCVAT-GJZGRUSLSA-N 1 1 362.386 0.304 20 5 FCBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)C(N)=O ZINC000299412462 489439029 /nfs/dbraw/zinc/43/90/29/489439029.db2.gz WCWGGPKXGUAAPE-NSHDSACASA-N 1 1 368.390 0.754 20 5 FCBDMO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000299450124 489443023 /nfs/dbraw/zinc/44/30/23/489443023.db2.gz WPFFIPPNVJYJDM-CQSZACIVSA-N 1 1 364.402 0.805 20 5 FCBDMO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c([N+](=O)[O-])c1 ZINC000555593295 491258333 /nfs/dbraw/zinc/25/83/33/491258333.db2.gz SNHLHWDSCYBUKX-CQSZACIVSA-N 1 1 360.374 0.615 20 5 FCBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c([N+](=O)[O-])c1 ZINC000555593295 491258334 /nfs/dbraw/zinc/25/83/34/491258334.db2.gz SNHLHWDSCYBUKX-CQSZACIVSA-N 1 1 360.374 0.615 20 5 FCBDMO CNS(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000363537553 489477712 /nfs/dbraw/zinc/47/77/12/489477712.db2.gz ZZJUFQFJTAPYGD-HIFRSBDPSA-N 1 1 373.431 0.348 20 5 FCBDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000363537553 489477713 /nfs/dbraw/zinc/47/77/13/489477713.db2.gz ZZJUFQFJTAPYGD-HIFRSBDPSA-N 1 1 373.431 0.348 20 5 FCBDMO COC(=O)c1cn([C@@H]2CC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000371845110 489517868 /nfs/dbraw/zinc/51/78/68/489517868.db2.gz AFYKZJVKSFSHIT-HIFRSBDPSA-N 1 1 361.358 0.953 20 5 FCBDMO CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000451943358 489533086 /nfs/dbraw/zinc/53/30/86/489533086.db2.gz JACNDWGUBHODNF-QMTHXVAHSA-N 1 1 353.331 0.656 20 5 FCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000452082939 489543576 /nfs/dbraw/zinc/54/35/76/489543576.db2.gz KVZHFMFVNVOVDX-ZDUSSCGKSA-N 1 1 350.375 0.808 20 5 FCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000452082939 489543579 /nfs/dbraw/zinc/54/35/79/489543579.db2.gz KVZHFMFVNVOVDX-ZDUSSCGKSA-N 1 1 350.375 0.808 20 5 FCBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000426182080 489558071 /nfs/dbraw/zinc/55/80/71/489558071.db2.gz COUYJWCOLFQERQ-GFCCVEGCSA-N 1 1 373.431 0.996 20 5 FCBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000426182080 489558074 /nfs/dbraw/zinc/55/80/74/489558074.db2.gz COUYJWCOLFQERQ-GFCCVEGCSA-N 1 1 373.431 0.996 20 5 FCBDMO NC(=O)c1ccc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000372428392 489583852 /nfs/dbraw/zinc/58/38/52/489583852.db2.gz OCYZGFXYHJENID-AWEZNQCLSA-N 1 1 361.402 0.612 20 5 FCBDMO COC(=O)[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+](C)C1 ZINC000416591458 489615190 /nfs/dbraw/zinc/61/51/90/489615190.db2.gz UCMSNIPPBGQMTI-CYBMUJFWSA-N 1 1 371.415 0.461 20 5 FCBDMO COC(=O)[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)C1 ZINC000416591458 489615192 /nfs/dbraw/zinc/61/51/92/489615192.db2.gz UCMSNIPPBGQMTI-CYBMUJFWSA-N 1 1 371.415 0.461 20 5 FCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000457104053 489635570 /nfs/dbraw/zinc/63/55/70/489635570.db2.gz CUSAEJYWFXEMHS-OLZOCXBDSA-N 1 1 364.402 0.238 20 5 FCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000457104053 489635572 /nfs/dbraw/zinc/63/55/72/489635572.db2.gz CUSAEJYWFXEMHS-OLZOCXBDSA-N 1 1 364.402 0.238 20 5 FCBDMO CNc1ccc(C(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000570933515 491274122 /nfs/dbraw/zinc/27/41/22/491274122.db2.gz UBTIUUCUIIKYDB-GFCCVEGCSA-N 1 1 350.375 0.813 20 5 FCBDMO CNc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000570933515 491274124 /nfs/dbraw/zinc/27/41/24/491274124.db2.gz UBTIUUCUIIKYDB-GFCCVEGCSA-N 1 1 350.375 0.813 20 5 FCBDMO C[C@@](O)(CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C[NH+]1CCOCC1 ZINC000489885219 489733157 /nfs/dbraw/zinc/73/31/57/489733157.db2.gz MXZUPPFPTWPIDX-MRXNPFEDSA-N 1 1 367.358 0.137 20 5 FCBDMO Cc1c(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)cccc1[N+](=O)[O-] ZINC000490527452 489772038 /nfs/dbraw/zinc/77/20/38/489772038.db2.gz NIGFIOJIPARHEP-UHFFFAOYSA-N 1 1 364.402 0.757 20 5 FCBDMO O=C(NCCCCN1CC[NH+](CCO)CC1)c1ccccc1[N+](=O)[O-] ZINC000432537602 489845731 /nfs/dbraw/zinc/84/57/31/489845731.db2.gz ZWRPHJCNFIZBLX-UHFFFAOYSA-N 1 1 350.419 0.715 20 5 FCBDMO C[C@](O)(CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C[NH+]1CCOCC1 ZINC000462883992 489993917 /nfs/dbraw/zinc/99/39/17/489993917.db2.gz MOQMBQLSHNRSSN-KRWDZBQOSA-N 1 1 364.402 0.975 20 5 FCBDMO CNc1c(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000463002538 489999691 /nfs/dbraw/zinc/99/96/91/489999691.db2.gz QTKWTWAGPONUMI-MRXNPFEDSA-N 1 1 352.391 0.450 20 5 FCBDMO COC(=O)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420973967 490036870 /nfs/dbraw/zinc/03/68/70/490036870.db2.gz NKXDJGFXWPAOSX-UHFFFAOYSA-N 1 1 359.404 0.758 20 5 FCBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000421707504 490098990 /nfs/dbraw/zinc/09/89/90/490098990.db2.gz XSCGEHOEMGGVEA-ZDUSSCGKSA-N 1 1 362.386 0.873 20 5 FCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000545382892 490125539 /nfs/dbraw/zinc/12/55/39/490125539.db2.gz BTXNCCKLNHKJGE-GOSISDBHSA-N 1 1 371.397 0.939 20 5 FCBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000483851517 490348998 /nfs/dbraw/zinc/34/89/98/490348998.db2.gz AGLXQWBBHMZTHS-UHFFFAOYSA-N 1 1 364.358 0.264 20 5 FCBDMO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000564687328 491320626 /nfs/dbraw/zinc/32/06/26/491320626.db2.gz NPWSTQGILBGOCZ-UHFFFAOYSA-N 1 1 368.357 0.861 20 5 FCBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCN(c2cccnn2)CC1 ZINC000468146145 490367566 /nfs/dbraw/zinc/36/75/66/490367566.db2.gz TVXDJIKTBSEVHE-HNNXBMFYSA-N 1 1 361.406 0.543 20 5 FCBDMO CC(C)[N@@H+](C)CCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000522437540 490377095 /nfs/dbraw/zinc/37/70/95/490377095.db2.gz CCSFKZGXJSHCKD-UHFFFAOYSA-N 1 1 350.375 0.777 20 5 FCBDMO CCC[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000548059977 490413433 /nfs/dbraw/zinc/41/34/33/490413433.db2.gz SSDFVRFLEZIHNV-GFCCVEGCSA-N 1 1 351.407 1.145 20 5 FCBDMO CCC[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000548059977 490413441 /nfs/dbraw/zinc/41/34/41/490413441.db2.gz SSDFVRFLEZIHNV-GFCCVEGCSA-N 1 1 351.407 1.145 20 5 FCBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C1 ZINC000468841090 490456133 /nfs/dbraw/zinc/45/61/33/490456133.db2.gz FIOPCNPVNDYLSJ-LLVKDONJSA-N 1 1 360.370 0.930 20 5 FCBDMO Cc1cc(NC(=O)C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000411444082 490464914 /nfs/dbraw/zinc/46/49/14/490464914.db2.gz ZJAQYDGIYWVCAX-ZDUSSCGKSA-N 1 1 364.402 0.757 20 5 FCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000500429413 490514756 /nfs/dbraw/zinc/51/47/56/490514756.db2.gz VFPBYFOQNQZEDN-IAQYHMDHSA-N 1 1 359.390 0.656 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC[N@H+](C)C1 ZINC000413920634 490519648 /nfs/dbraw/zinc/51/96/48/490519648.db2.gz NNGMYJMOFNQEIY-NSHDSACASA-N 1 1 351.359 0.780 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC[N@@H+](C)C1 ZINC000413920634 490519652 /nfs/dbraw/zinc/51/96/52/490519652.db2.gz NNGMYJMOFNQEIY-NSHDSACASA-N 1 1 351.359 0.780 20 5 FCBDMO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000414080095 490536332 /nfs/dbraw/zinc/53/63/32/490536332.db2.gz SRWDORHRPJREEJ-NSHDSACASA-N 1 1 353.404 0.957 20 5 FCBDMO C[C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CC[NH+](C)CC1 ZINC000524572339 490544902 /nfs/dbraw/zinc/54/49/02/490544902.db2.gz UVKPRKODKFKSMB-KBPBESRZSA-N 1 1 362.434 0.639 20 5 FCBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC3(O)CCS(=O)(=O)CC3)C2)nc1 ZINC000536036501 490548025 /nfs/dbraw/zinc/54/80/25/490548025.db2.gz QOPHRWSPICDMGX-LBPRGKRZSA-N 1 1 370.431 0.416 20 5 FCBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3(O)CCS(=O)(=O)CC3)C2)nc1 ZINC000536036501 490548029 /nfs/dbraw/zinc/54/80/29/490548029.db2.gz QOPHRWSPICDMGX-LBPRGKRZSA-N 1 1 370.431 0.416 20 5 FCBDMO CN(C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000524652912 490548820 /nfs/dbraw/zinc/54/88/20/490548820.db2.gz IFIQNGBZPSXDIL-OAHLLOKOSA-N 1 1 363.418 0.947 20 5 FCBDMO COC(=O)CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCCO1 ZINC000536378298 490574135 /nfs/dbraw/zinc/57/41/35/490574135.db2.gz JZXZOPDDHRVFKP-CQSZACIVSA-N 1 1 353.375 0.801 20 5 FCBDMO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536883826 490618813 /nfs/dbraw/zinc/61/88/13/490618813.db2.gz YGOZQZVQTXNENT-MLGOLLRUSA-N 1 1 368.459 0.945 20 5 FCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536883826 490618822 /nfs/dbraw/zinc/61/88/22/490618822.db2.gz YGOZQZVQTXNENT-MLGOLLRUSA-N 1 1 368.459 0.945 20 5 FCBDMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536859699 490619032 /nfs/dbraw/zinc/61/90/32/490619032.db2.gz WEPFHYSONPAHDY-OCCSQVGLSA-N 1 1 368.459 0.945 20 5 FCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536859699 490619039 /nfs/dbraw/zinc/61/90/39/490619039.db2.gz WEPFHYSONPAHDY-OCCSQVGLSA-N 1 1 368.459 0.945 20 5 FCBDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000556931712 491344071 /nfs/dbraw/zinc/34/40/71/491344071.db2.gz YNQSCWUQMAPVRQ-AWEZNQCLSA-N 1 1 364.402 0.504 20 5 FCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000539782754 490795623 /nfs/dbraw/zinc/79/56/23/490795623.db2.gz VOWLFYYESMEIIH-LBPRGKRZSA-N 1 1 367.406 0.586 20 5 FCBDMO COC(=O)CC[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000539782754 490795624 /nfs/dbraw/zinc/79/56/24/490795624.db2.gz VOWLFYYESMEIIH-LBPRGKRZSA-N 1 1 367.406 0.586 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000540979611 490843880 /nfs/dbraw/zinc/84/38/80/490843880.db2.gz RIAIFLIYZYSUPR-LLVKDONJSA-N 1 1 350.379 0.121 20 5 FCBDMO Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000517412647 490908024 /nfs/dbraw/zinc/90/80/24/490908024.db2.gz DQKAQIANFZGNLN-LBPRGKRZSA-N 1 1 370.431 0.521 20 5 FCBDMO Cc1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000517412647 490908027 /nfs/dbraw/zinc/90/80/27/490908027.db2.gz DQKAQIANFZGNLN-LBPRGKRZSA-N 1 1 370.431 0.521 20 5 FCBDMO C[C@@H]1C[NH+](C[C@@H](O)Cn2cnc3sc([N+](=O)[O-])cc3c2=O)C[C@@H](C)O1 ZINC000517567121 490912755 /nfs/dbraw/zinc/91/27/55/490912755.db2.gz ARRIBXPHSCGMJG-GMTAPVOTSA-N 1 1 368.415 0.836 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000519144472 490962956 /nfs/dbraw/zinc/96/29/56/490962956.db2.gz IWGJLGGORRBZNB-CQSZACIVSA-N 1 1 363.418 0.981 20 5 FCBDMO C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCc3ncc([N+](=O)[O-])cc3C2)C[C@H](C)O1 ZINC000544441115 490968612 /nfs/dbraw/zinc/96/86/12/490968612.db2.gz VKVXPYSDCOHVEB-ZENOOKHLSA-N 1 1 350.419 0.818 20 5 FCBDMO C[C@@H]1C[N@H+](C[C@@H](O)CN2CCc3ncc([N+](=O)[O-])cc3C2)C[C@H](C)O1 ZINC000544441115 490968614 /nfs/dbraw/zinc/96/86/14/490968614.db2.gz VKVXPYSDCOHVEB-ZENOOKHLSA-N 1 1 350.419 0.818 20 5 FCBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000573556556 491440162 /nfs/dbraw/zinc/44/01/62/491440162.db2.gz SLSLPAXTWYXFOY-LBPRGKRZSA-N 1 1 359.342 0.844 20 5 FCBDMO CC[N@@H+]1CCO[C@H](C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000573732972 491451839 /nfs/dbraw/zinc/45/18/39/491451839.db2.gz ZOHGOEIXNKETGE-HNNXBMFYSA-N 1 1 374.401 0.787 20 5 FCBDMO CC[N@H+]1CCO[C@H](C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000573732972 491451840 /nfs/dbraw/zinc/45/18/40/491451840.db2.gz ZOHGOEIXNKETGE-HNNXBMFYSA-N 1 1 374.401 0.787 20 5 FCBDMO CCN1CCN(C[C@@H](C)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000567043361 491482234 /nfs/dbraw/zinc/48/22/34/491482234.db2.gz RSCFWAPVMLWSKO-HOCLYGCPSA-N 1 1 354.455 0.015 20 5 FCBDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000574593137 491507288 /nfs/dbraw/zinc/50/72/88/491507288.db2.gz NINMZBNSASOJAX-CQSZACIVSA-N 1 1 364.402 0.356 20 5 FCBDMO C[C@@](O)(CNC(=O)NCc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000577570311 491633282 /nfs/dbraw/zinc/63/32/82/491633282.db2.gz DGEHPMVEUFDHCT-MRXNPFEDSA-N 1 1 352.391 0.477 20 5 FCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)n1 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ZINC001122149138 1222245105 /nfs/dbraw/zinc/24/51/05/1222245105.db2.gz XPBNTQWOSFXTPE-OAHLLOKOSA-N 1 1 358.402 0.624 20 5 FCBDMO O=[N+]([O-])Cc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@@H]1CCCCO1 ZINC001123277127 1222328084 /nfs/dbraw/zinc/32/80/84/1222328084.db2.gz ZMSQYKULQVCVPQ-KGLIPLIRSA-N 1 1 366.422 0.145 20 5 FCBDMO O=[N+]([O-])Cc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@@H]1CCCCO1 ZINC001123277127 1222328089 /nfs/dbraw/zinc/32/80/89/1222328089.db2.gz ZMSQYKULQVCVPQ-KGLIPLIRSA-N 1 1 366.422 0.145 20 5 FCBDMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001123667854 1222348237 /nfs/dbraw/zinc/34/82/37/1222348237.db2.gz KPHJUUBSXVUPRK-NFAWXSAZSA-N 1 1 360.418 0.391 20 5 FCBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2nc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829850483 1222449228 /nfs/dbraw/zinc/44/92/28/1222449228.db2.gz RORJQAFVRFDNIZ-LLVKDONJSA-N 1 1 370.366 0.173 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2)C1 ZINC000839669536 1222753093 /nfs/dbraw/zinc/75/30/93/1222753093.db2.gz PKPRAWKBQIAYFX-ARFHVFGLSA-N 1 1 360.414 0.665 20 5 FCBDMO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])c2)C1 ZINC000839669536 1222753098 /nfs/dbraw/zinc/75/30/98/1222753098.db2.gz PKPRAWKBQIAYFX-ARFHVFGLSA-N 1 1 360.414 0.665 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])c2)C1 ZINC000839669536 1222753101 /nfs/dbraw/zinc/75/31/01/1222753101.db2.gz PKPRAWKBQIAYFX-ARFHVFGLSA-N 1 1 360.414 0.665 20 5 FCBDMO C[C@H]([NH3+])c1nc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000843215380 1222861307 /nfs/dbraw/zinc/86/13/07/1222861307.db2.gz FDBBAZZNXWWMAX-NSHDSACASA-N 1 1 360.374 0.889 20 5 FCBDMO COC(=O)[C@@H]1C[N@H+](C)CCN1c1ncnc2cc(OC)c([N+](=O)[O-])cc21 ZINC001157771959 1223081749 /nfs/dbraw/zinc/08/17/49/1223081749.db2.gz BEOXYCZJCRUUFY-ZDUSSCGKSA-N 1 1 361.358 0.840 20 5 FCBDMO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1ncnc2cc(OC)c([N+](=O)[O-])cc21 ZINC001157771959 1223081754 /nfs/dbraw/zinc/08/17/54/1223081754.db2.gz BEOXYCZJCRUUFY-ZDUSSCGKSA-N 1 1 361.358 0.840 20 5 FCBDMO COc1ccc(C)cc1NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775662 1223082144 /nfs/dbraw/zinc/08/21/44/1223082144.db2.gz VHMCQNJAERCRCO-TZMCWYRMSA-N 1 1 364.402 0.703 20 5 FCBDMO O=C(C[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)N1CCCCCC1 ZINC001164490167 1223239200 /nfs/dbraw/zinc/23/92/00/1223239200.db2.gz AJIZMWUAVGCAGZ-HUUCEWRRSA-N 1 1 366.462 0.930 20 5 FCBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001165085348 1223241811 /nfs/dbraw/zinc/24/18/11/1223241811.db2.gz LZICAQHHDACRPK-UHFFFAOYSA-N 1 1 363.418 0.527 20 5 FCBDMO O=C(C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NC1CCCCC1 ZINC001205224739 1223318192 /nfs/dbraw/zinc/31/81/92/1223318192.db2.gz YGXRELODUPCUJA-HZPDHXFCSA-N 1 1 366.462 0.929 20 5 FCBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000920258407 1245617782 /nfs/dbraw/zinc/61/77/82/1245617782.db2.gz SXQQUKCMLRCPOT-GFCCVEGCSA-N 1 1 364.402 0.742 20 5 FCBDMO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC001327804626 1265429559 /nfs/dbraw/zinc/42/95/59/1265429559.db2.gz VUWJRYMIBRHFCA-TZMCWYRMSA-N 1 1 360.414 0.995 20 5 FCBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001327918614 1265453775 /nfs/dbraw/zinc/45/37/75/1265453775.db2.gz UCGDGQLDBBPGRM-LBPRGKRZSA-N 1 1 374.397 0.537 20 5 FCBDMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001328016986 1265472754 /nfs/dbraw/zinc/47/27/54/1265472754.db2.gz ZQRWSPJXWTUBOT-UHFFFAOYSA-N 1 1 357.370 0.801 20 5 FCBDMO CC(C)(C)n1nnc(CC[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000996428382 1251344689 /nfs/dbraw/zinc/34/46/89/1251344689.db2.gz ACYOMIVYGBSGBS-CHWSQXEVSA-N 1 1 365.438 0.216 20 5 FCBDMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001001804314 1252351732 /nfs/dbraw/zinc/35/17/32/1252351732.db2.gz FNWMUKTXOIFXHP-HUUCEWRRSA-N 1 1 366.462 0.879 20 5 FCBDMO C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001804314 1252351735 /nfs/dbraw/zinc/35/17/35/1252351735.db2.gz FNWMUKTXOIFXHP-HUUCEWRRSA-N 1 1 366.462 0.879 20 5 FCBDMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001804314 1252351743 /nfs/dbraw/zinc/35/17/43/1252351743.db2.gz FNWMUKTXOIFXHP-HUUCEWRRSA-N 1 1 366.462 0.879 20 5 FCBDMO Cn1nnc2cc(C[NH+]3CCC(NC(=O)[C@@H]4CC4[N+](=O)[O-])CC3)ccc21 ZINC001002782170 1252670554 /nfs/dbraw/zinc/67/05/54/1252670554.db2.gz JXXXEUYIOTXNAF-CZUORRHYSA-N 1 1 358.402 0.714 20 5 FCBDMO CC(C)(C)n1nnnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001034643716 1253998780 /nfs/dbraw/zinc/99/87/80/1253998780.db2.gz RQSUKSVQIIOZLM-FDYHWXHSSA-N 1 1 365.438 0.610 20 5 FCBDMO Cn1nc(C2CC2)nc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001034644470 1253999992 /nfs/dbraw/zinc/99/99/92/1253999992.db2.gz HHVSQZHYNPPIHW-AAVRWANBSA-N 1 1 362.434 0.875 20 5 FCBDMO CC[N@@H+](C)C(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001061039218 1254153989 /nfs/dbraw/zinc/15/39/89/1254153989.db2.gz MROJVTBQFZTENO-ZIAGYGMSSA-N 1 1 366.462 0.833 20 5 FCBDMO CC[N@H+](C)C(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001061039218 1254153991 /nfs/dbraw/zinc/15/39/91/1254153991.db2.gz MROJVTBQFZTENO-ZIAGYGMSSA-N 1 1 366.462 0.833 20 5 FCBDMO CC[N@@H+](C)C(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001061039218 1254153994 /nfs/dbraw/zinc/15/39/94/1254153994.db2.gz MROJVTBQFZTENO-ZIAGYGMSSA-N 1 1 366.462 0.833 20 5 FCBDMO C[NH+](C)CCC(=O)N1CCC2(CC1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001080639164 1255969350 /nfs/dbraw/zinc/96/93/50/1255969350.db2.gz AFYPVRCORMVLPS-HUUCEWRRSA-N 1 1 366.462 0.835 20 5 FCBDMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001336414135 1260118903 /nfs/dbraw/zinc/11/89/03/1260118903.db2.gz XXPCOSHFPQBNMV-GOSISDBHSA-N 1 1 373.457 0.629 20 5 FCBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001321646249 1264021430 /nfs/dbraw/zinc/02/14/30/1264021430.db2.gz LYKVJFHXGWGHGJ-GJZGRUSLSA-N 1 1 360.414 0.997 20 5 FCBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001322363368 1264185143 /nfs/dbraw/zinc/18/51/43/1264185143.db2.gz KESUTRRYRHFHDJ-GFCCVEGCSA-N 1 1 363.418 0.954 20 5 FCBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001324316230 1264617968 /nfs/dbraw/zinc/61/79/68/1264617968.db2.gz LDBORLAMSZDDIK-CYBMUJFWSA-N 1 1 366.422 0.240 20 5 FCBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC001326126876 1265061204 /nfs/dbraw/zinc/06/12/04/1265061204.db2.gz BOFILJNLNMRJFU-OAHLLOKOSA-N 1 1 372.381 0.962 20 5 FCBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC001334371045 1266972382 /nfs/dbraw/zinc/97/23/82/1266972382.db2.gz KZTDHVJHKYNENR-UHFFFAOYSA-N 1 1 370.431 0.298 20 5 FCBDMO COCCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001343067085 1269755462 /nfs/dbraw/zinc/75/54/62/1269755462.db2.gz XQOVISNHONDCBT-CQSZACIVSA-N 1 1 370.454 0.809 20 5 FCBDMO CCOCCCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001343211440 1269814291 /nfs/dbraw/zinc/81/42/91/1269814291.db2.gz WGTGXKQFBRFTTH-KBPBESRZSA-N 1 1 368.438 0.563 20 5 FCBDMO CCOCCCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001343211440 1269814308 /nfs/dbraw/zinc/81/43/08/1269814308.db2.gz WGTGXKQFBRFTTH-KBPBESRZSA-N 1 1 368.438 0.563 20 5 FCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001582803379 1282028497 /nfs/dbraw/zinc/02/84/97/1282028497.db2.gz FLTMJJRBASGLSF-NSHDSACASA-N 1 1 360.378 0.328 20 5 FCBDMO CC(C)C[N@H+]1CCO[C@@H](CNc2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001589633124 1282922881 /nfs/dbraw/zinc/92/28/81/1282922881.db2.gz LPPRHWCDYNJYMX-LBPRGKRZSA-N 1 1 362.394 0.939 20 5 FCBDMO C[C@H](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)[NH+](C)C ZINC001589831449 1283073850 /nfs/dbraw/zinc/07/38/50/1283073850.db2.gz YRXVBSSUTOXKFY-SECBINFHSA-N 1 1 369.407 0.393 20 5 FCBDMO CC[NH+]1CCN(C(=O)CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC001590735514 1283772081 /nfs/dbraw/zinc/77/20/81/1283772081.db2.gz WOHOASZGMFEZQQ-UHFFFAOYSA-N 1 1 360.378 0.351 20 5 FCBDMO C[N@@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[C@H]1CCN2CCO[C@H]1C2 ZINC001591126162 1284201636 /nfs/dbraw/zinc/20/16/36/1284201636.db2.gz PUNYMJSFCWAYLB-GJZGRUSLSA-N 1 1 359.390 0.680 20 5 FCBDMO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001592746723 1285665135 /nfs/dbraw/zinc/66/51/35/1285665135.db2.gz CALBMZHTHOMCMT-SECBINFHSA-N 1 1 367.391 0.028 20 5 FCBDMO NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001592746723 1285665142 /nfs/dbraw/zinc/66/51/42/1285665142.db2.gz CALBMZHTHOMCMT-SECBINFHSA-N 1 1 367.391 0.028 20 5 FCBDMO O=[N+]([O-])c1cnc(NCC[N@@H+]2CCC3(C2)OCCO3)c(-c2nn[nH]n2)c1 ZINC001593484487 1286174616 /nfs/dbraw/zinc/17/46/16/1286174616.db2.gz AKDRGQLCTHSQTO-UHFFFAOYSA-N 1 1 362.350 0.031 20 5 FCBDMO O=[N+]([O-])c1cnc(NCC[N@H+]2CCC3(C2)OCCO3)c(-c2nn[nH]n2)c1 ZINC001593484487 1286174621 /nfs/dbraw/zinc/17/46/21/1286174621.db2.gz AKDRGQLCTHSQTO-UHFFFAOYSA-N 1 1 362.350 0.031 20 5 FCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001607076851 1288650976 /nfs/dbraw/zinc/65/09/76/1288650976.db2.gz COLIDIOWPATMDE-UONOGXRCSA-N 1 1 359.390 0.416 20 5 FCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)c1-c1nn[nH]n1 ZINC001607085183 1288652521 /nfs/dbraw/zinc/65/25/21/1288652521.db2.gz LXOIGYMYCLYALG-SECBINFHSA-N 1 1 367.391 0.053 20 5 FCBDMO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(-c2nn[nH]n2)c1 ZINC001607086012 1288654199 /nfs/dbraw/zinc/65/41/99/1288654199.db2.gz HCTCBCNFWDAVCT-QWHCGFSZSA-N 1 1 360.378 0.205 20 5 FCBDMO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001609093007 1288914589 /nfs/dbraw/zinc/91/45/89/1288914589.db2.gz KTVFMDXWOWYBMH-VIFPVBQESA-N 1 1 369.407 0.427 20 5 FCBDMO O=C(C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NC1CCCCCC1 ZINC001688931864 1294549969 /nfs/dbraw/zinc/54/99/69/1294549969.db2.gz UEKOBXQMOQVMMO-DTZQCDIJSA-N 1 1 366.462 0.975 20 5 FCBDMO CN(CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001689078977 1294598804 /nfs/dbraw/zinc/59/88/04/1294598804.db2.gz HMZAZFMLVSSOIB-ZIAGYGMSSA-N 1 1 354.451 0.833 20 5 FCBDMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)CC[C@H]2C1 ZINC001164862145 720861572 /nfs/dbraw/zinc/86/15/72/720861572.db2.gz ZCZQRVGTUHTRPA-SWLSCSKDSA-N 1 1 351.407 0.746 20 5 FCBDMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001060748120 836671753 /nfs/dbraw/zinc/67/17/53/836671753.db2.gz WDOJTFFXCMHWRU-KBUPBQIOSA-N 1 1 354.451 0.783 20 5 FCBDMO CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060748120 836671760 /nfs/dbraw/zinc/67/17/60/836671760.db2.gz WDOJTFFXCMHWRU-KBUPBQIOSA-N 1 1 354.451 0.783 20 5 FCBDMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060748120 836671767 /nfs/dbraw/zinc/67/17/67/836671767.db2.gz WDOJTFFXCMHWRU-KBUPBQIOSA-N 1 1 354.451 0.783 20 5 FCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@@H+](CCO)CCc2ccns2)CC1 ZINC001098365348 843909670 /nfs/dbraw/zinc/90/96/70/843909670.db2.gz KVDYLVGNQBVQPX-HUUCEWRRSA-N 1 1 368.459 0.636 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@H+](CCO)CCc2ccns2)CC1 ZINC001098365348 843909675 /nfs/dbraw/zinc/90/96/75/843909675.db2.gz KVDYLVGNQBVQPX-HUUCEWRRSA-N 1 1 368.459 0.636 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@@H+](CCO)CCc2ccns2)CC1 ZINC001098365348 843909680 /nfs/dbraw/zinc/90/96/80/843909680.db2.gz KVDYLVGNQBVQPX-HUUCEWRRSA-N 1 1 368.459 0.636 20 5 FCBDMO CS(=O)(=O)CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001121087854 848316486 /nfs/dbraw/zinc/31/64/86/848316486.db2.gz XLBUXCVFHCPEBX-UBDGZGRMSA-N 1 1 359.448 0.103 20 5 FCBDMO O=[N+]([O-])Cc1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CC1CC1 ZINC001123508048 848600134 /nfs/dbraw/zinc/60/01/34/848600134.db2.gz VIFPPLQHGSCHND-AWEZNQCLSA-N 1 1 350.423 0.766 20 5 FCBDMO Cc1ccc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1F ZINC001157774845 849993650 /nfs/dbraw/zinc/99/36/50/849993650.db2.gz CTYAZQSCRFCZPP-TZMCWYRMSA-N 1 1 352.366 0.834 20 5 FCBDMO CN(CC1CCCCC1)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775630 849994483 /nfs/dbraw/zinc/99/44/83/849994483.db2.gz SOVMBSVJSNJFRP-HUUCEWRRSA-N 1 1 354.451 0.786 20 5 FCBDMO CC(C)(C)OC(=O)[C@@H]([NH3+])C1CN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001163119114 850356289 /nfs/dbraw/zinc/35/62/89/850356289.db2.gz LSLPPVMVHGQDGJ-JTQLQIEISA-N 1 1 358.782 0.987 20 5 FCBDMO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1C(N)=O ZINC001169038266 850603554 /nfs/dbraw/zinc/60/35/54/850603554.db2.gz XNOLTNOMGTYFIE-UPJWGTAASA-N 1 1 356.423 0.838 20 5 FCBDMO CN(CC1CC1)C(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205224724 853601202 /nfs/dbraw/zinc/60/12/02/853601202.db2.gz XXKISIQNXVGCPK-HUUCEWRRSA-N 1 1 352.435 0.348 20 5 FCBDMO O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CC([NH2+]C2COC2)C1 ZINC001304207515 866514998 /nfs/dbraw/zinc/51/49/98/866514998.db2.gz AQWCMVGZHDRURW-UHFFFAOYSA-N 1 1 368.777 0.177 20 5 FCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)n1 ZINC001307227298 866650776 /nfs/dbraw/zinc/65/07/76/866650776.db2.gz FIZJPWJBTBZULC-QWHCGFSZSA-N 1 1 350.375 0.812 20 5 FCBDMO NC(=O)[C@@H]1C[NH+](Cc2cccc([N+](=O)[O-])c2Br)C[C@H]1C(N)=O ZINC001307930356 866685032 /nfs/dbraw/zinc/68/50/32/866685032.db2.gz SBVUMUFKOKZGOP-RKDXNWHRSA-N 1 1 371.191 0.376 20 5 FCBDMO NS(=O)(=O)C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001308009645 866689973 /nfs/dbraw/zinc/68/99/73/866689973.db2.gz UIOTXAIMMLSNIY-CHWSQXEVSA-N 1 1 373.431 0.478 20 5 FCBDMO NS(=O)(=O)C[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001308009645 866689978 /nfs/dbraw/zinc/68/99/78/866689978.db2.gz UIOTXAIMMLSNIY-CHWSQXEVSA-N 1 1 373.431 0.478 20 5 FCBDMO C[C@@H](NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC001321513100 868499867 /nfs/dbraw/zinc/49/98/67/868499867.db2.gz RXWGSFNXFDQNLS-BXUZGUMPSA-N 1 1 350.375 0.046 20 5 FCBDMO C[C@@H](NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC001321513100 868499871 /nfs/dbraw/zinc/49/98/71/868499871.db2.gz RXWGSFNXFDQNLS-BXUZGUMPSA-N 1 1 350.375 0.046 20 5 FCBDMO C[C@@H](NC(=O)C(=O)NCC[NH+]1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC001322315301 868788096 /nfs/dbraw/zinc/78/80/96/868788096.db2.gz JBGNWLZDAJZXQV-GFCCVEGCSA-N 1 1 366.443 0.937 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c1 ZINC001325844317 870056832 /nfs/dbraw/zinc/05/68/32/870056832.db2.gz QCPPOKFXZBRODZ-CZUORRHYSA-N 1 1 353.423 0.243 20 5 FCBDMO CCOCCCn1c(C[N+](=O)[O-])nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001343204035 870290281 /nfs/dbraw/zinc/29/02/81/870290281.db2.gz MPGUNYZPUYAZFX-ZDUSSCGKSA-N 1 1 354.411 0.002 20 5 FCBDMO CCOCCCn1c(C[N+](=O)[O-])nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001343204035 870290291 /nfs/dbraw/zinc/29/02/91/870290291.db2.gz MPGUNYZPUYAZFX-ZDUSSCGKSA-N 1 1 354.411 0.002 20 5 FCBDMO C[N@@H+](CCO)CCNc1c(I)cncc1[N+](=O)[O-] ZINC001333430039 873952019 /nfs/dbraw/zinc/95/20/19/873952019.db2.gz FKGKTNCAASLREQ-UHFFFAOYSA-N 1 1 366.159 0.352 20 5 FCBDMO CC(C)(CCC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[N+](=O)[O-] ZINC000294622807 214257533 /nfs/dbraw/zinc/25/75/33/214257533.db2.gz YWZGMXMQFJFXST-UHFFFAOYSA-N 1 1 364.450 0.940 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000295230960 214284595 /nfs/dbraw/zinc/28/45/95/214284595.db2.gz IKGWENYMSBATMM-LBPRGKRZSA-N 1 1 373.431 0.729 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000295230960 214284598 /nfs/dbraw/zinc/28/45/98/214284598.db2.gz IKGWENYMSBATMM-LBPRGKRZSA-N 1 1 373.431 0.729 20 5 FCBDMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000295564819 214305887 /nfs/dbraw/zinc/30/58/87/214305887.db2.gz URIUOFSPWNQSLG-LBPRGKRZSA-N 1 1 351.359 0.900 20 5 FCBDMO Cc1c(C(=O)NCC[NH+]2CCC(O)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000297068940 214377840 /nfs/dbraw/zinc/37/78/40/214377840.db2.gz VHCAVHQYHZHCTJ-UHFFFAOYSA-N 1 1 352.347 0.998 20 5 FCBDMO CNC(=O)NC(=O)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265888428 210243143 /nfs/dbraw/zinc/24/31/43/210243143.db2.gz QIQVHQZBBWCFKX-UHFFFAOYSA-N 1 1 363.374 0.198 20 5 FCBDMO C[C@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000265600833 210175337 /nfs/dbraw/zinc/17/53/37/210175337.db2.gz RRIYUDZJBDVILH-LLVKDONJSA-N 1 1 358.420 0.622 20 5 FCBDMO C[N@@H+](CCCO)C1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000265175258 210068628 /nfs/dbraw/zinc/06/86/28/210068628.db2.gz CHMQIQTWOPTIJR-UHFFFAOYSA-N 1 1 372.447 0.525 20 5 FCBDMO NC(=O)NC(=O)OCCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000265072177 210048871 /nfs/dbraw/zinc/04/88/71/210048871.db2.gz WWMYGPYAOUKWNM-UHFFFAOYSA-N 1 1 351.363 0.912 20 5 FCBDMO NS(=O)(=O)C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000265032955 210042191 /nfs/dbraw/zinc/04/21/91/210042191.db2.gz LFCWEQJYYFOPHP-LBPRGKRZSA-N 1 1 370.431 0.924 20 5 FCBDMO Cc1nn(CCC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(C)c1[N+](=O)[O-] ZINC000361504558 215395686 /nfs/dbraw/zinc/39/56/86/215395686.db2.gz VQCPXYXZBRCXJS-UONOGXRCSA-N 1 1 351.407 0.778 20 5 FCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000194022594 209322452 /nfs/dbraw/zinc/32/24/52/209322452.db2.gz YYBZGSUAKQRSMQ-ZIAGYGMSSA-N 1 1 350.419 0.945 20 5 FCBDMO Nc1c(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc(F)cc1[N+](=O)[O-] ZINC000368666554 216277815 /nfs/dbraw/zinc/27/78/15/216277815.db2.gz FBSDVDAHFZQLDK-OCCSQVGLSA-N 1 1 352.366 0.987 20 5 FCBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000368855554 216309196 /nfs/dbraw/zinc/30/91/96/216309196.db2.gz KZQDMBVWLVUEQE-KGLIPLIRSA-N 1 1 355.416 0.877 20 5 FCBDMO C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000189932525 209263182 /nfs/dbraw/zinc/26/31/82/209263182.db2.gz YQYLVZSGRWKWSY-GFCCVEGCSA-N 1 1 350.419 0.971 20 5 FCBDMO CN(C(=O)C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000277797521 212397675 /nfs/dbraw/zinc/39/76/75/212397675.db2.gz PDCPUKIFKBYAGC-YOEHRIQHSA-N 1 1 373.413 0.999 20 5 FCBDMO CN(C(=O)C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000277797521 212397680 /nfs/dbraw/zinc/39/76/80/212397680.db2.gz PDCPUKIFKBYAGC-YOEHRIQHSA-N 1 1 373.413 0.999 20 5 FCBDMO COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCC[NH+]2CCN(C(C)C)CC2)c1 ZINC000188297233 209227924 /nfs/dbraw/zinc/22/79/24/209227924.db2.gz VBXKWNCKYYZYGQ-UHFFFAOYSA-N 1 1 366.418 0.959 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C[C@@H](C)O)[C@H](C)CO ZINC000276134405 212169790 /nfs/dbraw/zinc/16/97/90/212169790.db2.gz BAWGUGMWZNNYCE-VXGBXAGGSA-N 1 1 355.391 0.996 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000275773700 212088455 /nfs/dbraw/zinc/08/84/55/212088455.db2.gz RQHFCKGDWFNRKZ-UHFFFAOYSA-N 1 1 366.374 0.380 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CCCOCC1 ZINC000275773700 212088459 /nfs/dbraw/zinc/08/84/59/212088459.db2.gz RQHFCKGDWFNRKZ-UHFFFAOYSA-N 1 1 366.374 0.380 20 5 FCBDMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000275646009 212066008 /nfs/dbraw/zinc/06/60/08/212066008.db2.gz MVFOTNCKJSYJSJ-UHFFFAOYSA-N 1 1 365.390 0.935 20 5 FCBDMO Cc1cc(C(=O)NCC(=O)N2CC[NH+](C[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000275460921 212031003 /nfs/dbraw/zinc/03/10/03/212031003.db2.gz PNUDHHMCQNFXEE-CYBMUJFWSA-N 1 1 364.402 0.158 20 5 FCBDMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000275440704 212027662 /nfs/dbraw/zinc/02/76/62/212027662.db2.gz LZXKPTJQSAUCEK-MLGOLLRUSA-N 1 1 362.386 0.613 20 5 FCBDMO C[C@@H](c1nccs1)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000184602800 209164771 /nfs/dbraw/zinc/16/47/71/209164771.db2.gz OMVOJAKCIZZLNQ-JSGCOSHPSA-N 1 1 366.447 0.988 20 5 FCBDMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000184437075 209162674 /nfs/dbraw/zinc/16/26/74/209162674.db2.gz MCGGXPWXNSEDMD-ZDUSSCGKSA-N 1 1 362.434 0.814 20 5 FCBDMO CC1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@]2(CCCOC2)O1 ZINC000373760257 217055416 /nfs/dbraw/zinc/05/54/16/217055416.db2.gz VPCYGAIKBALTAS-HOCLYGCPSA-N 1 1 354.407 0.812 20 5 FCBDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000374422724 217127825 /nfs/dbraw/zinc/12/78/25/217127825.db2.gz SMHCBEZGXLEROP-SLBVQIDZSA-N 1 1 353.423 0.336 20 5 FCBDMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)O1 ZINC000374567714 217143876 /nfs/dbraw/zinc/14/38/76/217143876.db2.gz YXGYCCOKPCKXSD-RZFFKMDDSA-N 1 1 365.386 0.940 20 5 FCBDMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)O1 ZINC000374567714 217143879 /nfs/dbraw/zinc/14/38/79/217143879.db2.gz YXGYCCOKPCKXSD-RZFFKMDDSA-N 1 1 365.386 0.940 20 5 FCBDMO CN(C)c1noc([C@H]2CCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000374636959 217152299 /nfs/dbraw/zinc/15/22/99/217152299.db2.gz PFBNSPZLSOPRJQ-WCQYABFASA-N 1 1 365.394 0.481 20 5 FCBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000439858601 248144502 /nfs/dbraw/zinc/14/45/02/248144502.db2.gz QDYRKUZACLAASL-INIZCTEOSA-N 1 1 366.374 0.115 20 5 FCBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000452348698 249310857 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Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000267658782 488810122 /nfs/dbraw/zinc/81/01/22/488810122.db2.gz ZFYNMBCEUHFLKA-OAHLLOKOSA-N 1 1 366.418 0.467 20 5 FCBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000172025017 488829859 /nfs/dbraw/zinc/82/98/59/488829859.db2.gz HLJDWPJDPJKUDM-UHFFFAOYSA-N 1 1 363.418 0.555 20 5 FCBDMO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173466786 488842921 /nfs/dbraw/zinc/84/29/21/488842921.db2.gz AOSYVWVTRDAKOW-CQSZACIVSA-N 1 1 373.417 0.868 20 5 FCBDMO CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173466786 488842922 /nfs/dbraw/zinc/84/29/22/488842922.db2.gz AOSYVWVTRDAKOW-CQSZACIVSA-N 1 1 373.417 0.868 20 5 FCBDMO CCN(CC)C(=O)CN1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176205910 488857579 /nfs/dbraw/zinc/85/75/79/488857579.db2.gz GSGPIADMZXBFTG-UHFFFAOYSA-N 1 1 352.439 0.667 20 5 FCBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176205910 488857580 /nfs/dbraw/zinc/85/75/80/488857580.db2.gz GSGPIADMZXBFTG-UHFFFAOYSA-N 1 1 352.439 0.667 20 5 FCBDMO CCN(CC)C(=O)C[N@H+]1CCCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176205910 488857581 /nfs/dbraw/zinc/85/75/81/488857581.db2.gz GSGPIADMZXBFTG-UHFFFAOYSA-N 1 1 352.439 0.667 20 5 FCBDMO CC[N@H+]1CCCN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000288524489 488988508 /nfs/dbraw/zinc/98/85/08/488988508.db2.gz PLSQBUYLRNUJCH-UHFFFAOYSA-N 1 1 374.401 0.642 20 5 FCBDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000281501748 489080369 /nfs/dbraw/zinc/08/03/69/489080369.db2.gz UJNCLHOBSBPOGK-ZBFHGGJFSA-N 1 1 370.406 0.444 20 5 FCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@H](C)C1 ZINC000281742251 489102547 /nfs/dbraw/zinc/10/25/47/489102547.db2.gz YOWIVIDYCPDYCN-GHMZBOCLSA-N 1 1 351.359 0.851 20 5 FCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@H](C)C1 ZINC000281742251 489102549 /nfs/dbraw/zinc/10/25/49/489102549.db2.gz YOWIVIDYCPDYCN-GHMZBOCLSA-N 1 1 351.359 0.851 20 5 FCBDMO C[N@H+]1CCN(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000282093146 489133206 /nfs/dbraw/zinc/13/32/06/489133206.db2.gz BXJYTDIIMUXATJ-UHFFFAOYSA-N 1 1 356.448 0.899 20 5 FCBDMO CC(C)[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000290524192 489146510 /nfs/dbraw/zinc/14/65/10/489146510.db2.gz NGYZFCWNXNEQQF-ZDUSSCGKSA-N 1 1 350.423 0.773 20 5 FCBDMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000282471995 489166835 /nfs/dbraw/zinc/16/68/35/489166835.db2.gz LJEKSLKRLKVJNW-UHFFFAOYSA-N 1 1 356.354 0.411 20 5 FCBDMO O=C(C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000366438686 489181622 /nfs/dbraw/zinc/18/16/22/489181622.db2.gz MCXQYFURBHNRTC-FVQHAEBGSA-N 1 1 360.414 0.414 20 5 FCBDMO COCC[NH+]1CCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000298081530 489287871 /nfs/dbraw/zinc/28/78/71/489287871.db2.gz ONKLTTLBROPPGO-CYBMUJFWSA-N 1 1 364.402 0.504 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370843754 489410724 /nfs/dbraw/zinc/41/07/24/489410724.db2.gz SIBUEBOPWXNHNI-OAHLLOKOSA-N 1 1 364.450 0.727 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370843754 489410725 /nfs/dbraw/zinc/41/07/25/489410725.db2.gz SIBUEBOPWXNHNI-OAHLLOKOSA-N 1 1 364.450 0.727 20 5 FCBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000363057473 489417458 /nfs/dbraw/zinc/41/74/58/489417458.db2.gz DPHJEFZMZIXRLF-HNNXBMFYSA-N 1 1 361.402 0.677 20 5 FCBDMO Cc1cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000299457738 489443813 /nfs/dbraw/zinc/44/38/13/489443813.db2.gz ZRGBSULOSNAINS-GFCCVEGCSA-N 1 1 364.402 0.926 20 5 FCBDMO Cc1c(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000555617085 491260032 /nfs/dbraw/zinc/26/00/32/491260032.db2.gz MZEZYLIRFFVGMN-UHFFFAOYSA-N 1 1 364.402 0.358 20 5 FCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@H]1CC(N)=O ZINC000452082936 489543781 /nfs/dbraw/zinc/54/37/81/489543781.db2.gz KVZHFMFVNVOVDX-CYBMUJFWSA-N 1 1 350.375 0.808 20 5 FCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC[C@H]1CC(N)=O ZINC000452082936 489543784 /nfs/dbraw/zinc/54/37/84/489543784.db2.gz KVZHFMFVNVOVDX-CYBMUJFWSA-N 1 1 350.375 0.808 20 5 FCBDMO C[N@H+]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](c2ccccc2)C1 ZINC000372859188 489645401 /nfs/dbraw/zinc/64/54/01/489645401.db2.gz QIBHAACLCCWWCR-CVEARBPZSA-N 1 1 356.382 0.971 20 5 FCBDMO C[C@H](O)C[NH+]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000428494761 489650082 /nfs/dbraw/zinc/65/00/82/489650082.db2.gz OOCBCUWWDHORRU-LBPRGKRZSA-N 1 1 365.386 0.434 20 5 FCBDMO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000488971836 489689252 /nfs/dbraw/zinc/68/92/52/489689252.db2.gz KQVVCZYCYCVCAS-UHFFFAOYSA-N 1 1 374.405 0.440 20 5 FCBDMO CC(C)CNC(=O)NC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488985332 489689609 /nfs/dbraw/zinc/68/96/09/489689609.db2.gz RUDYICCIBVPNRM-UHFFFAOYSA-N 1 1 352.395 0.910 20 5 FCBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000489382891 489709350 /nfs/dbraw/zinc/70/93/50/489709350.db2.gz DRECHYUEBORDCD-UHFFFAOYSA-N 1 1 364.358 0.217 20 5 FCBDMO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000570918061 491273413 /nfs/dbraw/zinc/27/34/13/491273413.db2.gz ACVSFGWNMDCENB-LBPRGKRZSA-N 1 1 370.431 0.283 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000430227561 489725808 /nfs/dbraw/zinc/72/58/08/489725808.db2.gz RMBAYIHGYWCCAO-NSHDSACASA-N 1 1 358.420 0.609 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000430227561 489725813 /nfs/dbraw/zinc/72/58/13/489725813.db2.gz RMBAYIHGYWCCAO-NSHDSACASA-N 1 1 358.420 0.609 20 5 FCBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000473906998 489742916 /nfs/dbraw/zinc/74/29/16/489742916.db2.gz WNKJVUWIYLTAJX-UHFFFAOYSA-N 1 1 357.388 0.756 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CC(=O)N1CC[NH2+]CC1 ZINC000430627791 489758159 /nfs/dbraw/zinc/75/81/59/489758159.db2.gz NOHBPXHUFUKYBK-UHFFFAOYSA-N 1 1 363.418 0.595 20 5 FCBDMO Cc1c(C(=O)N(C)CC[N@@H+](C)C2CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000474584566 489771363 /nfs/dbraw/zinc/77/13/63/489771363.db2.gz WZFJINGNHUUNCJ-UHFFFAOYSA-N 1 1 370.431 0.717 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000490584865 489775241 /nfs/dbraw/zinc/77/52/41/489775241.db2.gz WURSCZBJRSQIAI-UHFFFAOYSA-N 1 1 364.402 0.757 20 5 FCBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000494707197 489907383 /nfs/dbraw/zinc/90/73/83/489907383.db2.gz JCJMWGDINYJJLP-KBPBESRZSA-N 1 1 373.431 0.348 20 5 FCBDMO C[C@@](O)(CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C[NH+]1CCOCC1 ZINC000462883994 489994167 /nfs/dbraw/zinc/99/41/67/489994167.db2.gz MOQMBQLSHNRSSN-QGZVFWFLSA-N 1 1 364.402 0.975 20 5 FCBDMO COC(=O)C[C@@]1([NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCOC1 ZINC000464605298 490061845 /nfs/dbraw/zinc/06/18/45/490061845.db2.gz ZFBSUYDGDWNTQL-INIZCTEOSA-N 1 1 367.358 0.854 20 5 FCBDMO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000378501058 490074521 /nfs/dbraw/zinc/07/45/21/490074521.db2.gz VNHDLUKEMMINRM-JSGCOSHPSA-N 1 1 363.370 0.995 20 5 FCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465117348 490083250 /nfs/dbraw/zinc/08/32/50/490083250.db2.gz BKEREXQSPCWUKS-ZDUSSCGKSA-N 1 1 364.402 0.271 20 5 FCBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000421700099 490098955 /nfs/dbraw/zinc/09/89/55/490098955.db2.gz DDFCJYPBPSGJNO-NSHDSACASA-N 1 1 360.370 0.743 20 5 FCBDMO Cc1c(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000422026136 490127408 /nfs/dbraw/zinc/12/74/08/490127408.db2.gz SQUICLYVZVZRHI-NSHDSACASA-N 1 1 370.431 0.717 20 5 FCBDMO Cc1c(C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000422026124 490128855 /nfs/dbraw/zinc/12/88/55/490128855.db2.gz SQUICLYVZVZRHI-LLVKDONJSA-N 1 1 370.431 0.717 20 5 FCBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000564490669 491310362 /nfs/dbraw/zinc/31/03/62/491310362.db2.gz JADCOYWGEQJTAU-FZMZJTMJSA-N 1 1 351.359 0.568 20 5 FCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000533842897 490291810 /nfs/dbraw/zinc/29/18/10/490291810.db2.gz PYNSQSYHENDRKX-GFCCVEGCSA-N 1 1 356.404 0.595 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000521678872 490291920 /nfs/dbraw/zinc/29/19/20/490291920.db2.gz RJSBBPKSYJQNJK-CYBMUJFWSA-N 1 1 350.375 0.673 20 5 FCBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000571484678 491311183 /nfs/dbraw/zinc/31/11/83/491311183.db2.gz BOQHUATVUBXROI-UHFFFAOYSA-N 1 1 360.374 0.365 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000534555250 490380823 /nfs/dbraw/zinc/38/08/23/490380823.db2.gz BTFUALGZFPLNLY-GFCCVEGCSA-N 1 1 356.404 0.595 20 5 FCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448951861 490389653 /nfs/dbraw/zinc/38/96/53/490389653.db2.gz CZEFFXHLBJSBIO-AWEZNQCLSA-N 1 1 358.402 0.756 20 5 FCBDMO Cn1c(C(=O)NCCCCN2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000534661675 490395572 /nfs/dbraw/zinc/39/55/72/490395572.db2.gz UYJSCNVDVVZLAS-UHFFFAOYSA-N 1 1 353.423 0.053 20 5 FCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000449577979 490414764 /nfs/dbraw/zinc/41/47/64/490414764.db2.gz YJTRPNNKOQHYCM-IAQYHMDHSA-N 1 1 356.402 0.987 20 5 FCBDMO CNS(=O)(=O)c1ccc(NC[C@@H]2CCC[N@H+]2CCCO)c([N+](=O)[O-])c1 ZINC000450591491 490477945 /nfs/dbraw/zinc/47/79/45/490477945.db2.gz GANKQPIRDYPIQJ-LBPRGKRZSA-N 1 1 372.447 0.762 20 5 FCBDMO COCC(COC)[NH+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000411862534 490487560 /nfs/dbraw/zinc/48/75/60/490487560.db2.gz PPCCGMYGETVVPL-UHFFFAOYSA-N 1 1 366.418 0.473 20 5 FCBDMO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000564849691 491331173 /nfs/dbraw/zinc/33/11/73/491331173.db2.gz NZYFFCRFIIJHDZ-JTQLQIEISA-N 1 1 350.418 0.391 20 5 FCBDMO C[C@H]1CC[NH2+]CC[C@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422932332 490499954 /nfs/dbraw/zinc/49/99/54/490499954.db2.gz FNLNJQHZZHFVKI-SWLSCSKDSA-N 1 1 356.448 0.851 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413903867 490510477 /nfs/dbraw/zinc/51/04/77/490510477.db2.gz OTWRDWOXPVVEPK-SNVBAGLBSA-N 1 1 353.379 0.618 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413903867 490510486 /nfs/dbraw/zinc/51/04/86/490510486.db2.gz OTWRDWOXPVVEPK-SNVBAGLBSA-N 1 1 353.379 0.618 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413903867 490510494 /nfs/dbraw/zinc/51/04/94/490510494.db2.gz OTWRDWOXPVVEPK-SNVBAGLBSA-N 1 1 353.379 0.618 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413903867 490510497 /nfs/dbraw/zinc/51/04/97/490510497.db2.gz OTWRDWOXPVVEPK-SNVBAGLBSA-N 1 1 353.379 0.618 20 5 FCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000535667646 490512390 /nfs/dbraw/zinc/51/23/90/490512390.db2.gz HWXVORRNMRVFRR-ZDUSSCGKSA-N 1 1 361.358 0.468 20 5 FCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000535667646 490512396 /nfs/dbraw/zinc/51/23/96/490512396.db2.gz HWXVORRNMRVFRR-ZDUSSCGKSA-N 1 1 361.358 0.468 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413921503 490518611 /nfs/dbraw/zinc/51/86/11/490518611.db2.gz OJFWSEVJEUDFEI-GFCCVEGCSA-N 1 1 351.359 0.537 20 5 FCBDMO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000414061296 490536287 /nfs/dbraw/zinc/53/62/87/490536287.db2.gz APSFMAKIVCHOTK-NSHDSACASA-N 1 1 353.404 0.957 20 5 FCBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000485930910 490572554 /nfs/dbraw/zinc/57/25/54/490572554.db2.gz JDOKNLLAEMPYJS-RISCZKNCSA-N 1 1 370.431 0.187 20 5 FCBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000485979857 490578063 /nfs/dbraw/zinc/57/80/63/490578063.db2.gz PJGWRZBJHWYMJK-RISCZKNCSA-N 1 1 370.431 0.187 20 5 FCBDMO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536883825 490618985 /nfs/dbraw/zinc/61/89/85/490618985.db2.gz YGOZQZVQTXNENT-LRDDRELGSA-N 1 1 368.459 0.945 20 5 FCBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536883825 490618996 /nfs/dbraw/zinc/61/89/96/490618996.db2.gz YGOZQZVQTXNENT-LRDDRELGSA-N 1 1 368.459 0.945 20 5 FCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000501739135 490638364 /nfs/dbraw/zinc/63/83/64/490638364.db2.gz KFKDTIYQQLFMLN-HUUCEWRRSA-N 1 1 373.413 0.941 20 5 FCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000537572452 490682704 /nfs/dbraw/zinc/68/27/04/490682704.db2.gz SCIVJBTZXVEKCR-GFCCVEGCSA-N 1 1 353.379 0.277 20 5 FCBDMO COC(=O)CC[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000537572452 490682707 /nfs/dbraw/zinc/68/27/07/490682707.db2.gz SCIVJBTZXVEKCR-GFCCVEGCSA-N 1 1 353.379 0.277 20 5 FCBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000513831021 490750604 /nfs/dbraw/zinc/75/06/04/490750604.db2.gz IMPDSNKIWKHDKX-CYBMUJFWSA-N 1 1 364.402 0.934 20 5 FCBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000488704904 490772933 /nfs/dbraw/zinc/77/29/33/490772933.db2.gz UCJIPURLLCRZPX-CQSZACIVSA-N 1 1 350.419 0.942 20 5 FCBDMO CC(C)CN1C[C@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCN2C1=O ZINC000488725472 490773864 /nfs/dbraw/zinc/77/38/64/490773864.db2.gz UFVFSLRJUDJMFN-HUUCEWRRSA-N 1 1 366.422 0.230 20 5 FCBDMO CC(C)CN1C[C@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCN2C1=O ZINC000488725472 490773866 /nfs/dbraw/zinc/77/38/66/490773866.db2.gz UFVFSLRJUDJMFN-HUUCEWRRSA-N 1 1 366.422 0.230 20 5 FCBDMO CC(C)CN1C[C@@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCN2C1=O ZINC000488725470 490773957 /nfs/dbraw/zinc/77/39/57/490773957.db2.gz UFVFSLRJUDJMFN-GJZGRUSLSA-N 1 1 366.422 0.230 20 5 FCBDMO CC(C)CN1C[C@@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCN2C1=O ZINC000488725470 490773959 /nfs/dbraw/zinc/77/39/59/490773959.db2.gz UFVFSLRJUDJMFN-GJZGRUSLSA-N 1 1 366.422 0.230 20 5 FCBDMO C[N@@H+]1CC=C(CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000539446520 490784172 /nfs/dbraw/zinc/78/41/72/490784172.db2.gz PFYDAEKOAZGXMK-UHFFFAOYSA-N 1 1 361.402 0.772 20 5 FCBDMO COCC[N@@H+](C)C[C@H](O)Cn1cnc2c(Cl)cc([N+](=O)[O-])cc2c1=O ZINC000565223872 491361411 /nfs/dbraw/zinc/36/14/11/491361411.db2.gz BMLAEVNDKBJHHB-NSHDSACASA-N 1 1 370.793 0.897 20 5 FCBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000517655412 490915983 /nfs/dbraw/zinc/91/59/83/490915983.db2.gz LMZBPEZYTSRFQW-UHFFFAOYSA-N 1 1 352.391 0.937 20 5 FCBDMO CN(CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)CC[NH+](C)C ZINC000517655412 490915986 /nfs/dbraw/zinc/91/59/86/490915986.db2.gz LMZBPEZYTSRFQW-UHFFFAOYSA-N 1 1 352.391 0.937 20 5 FCBDMO C[NH2+]C[C@](C)(O)CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000518781700 490951220 /nfs/dbraw/zinc/95/12/20/490951220.db2.gz SBGRUYXVHYMNDA-KRWDZBQOSA-N 1 1 362.434 0.954 20 5 FCBDMO CCCc1n[nH]c(C(=O)NCC(=O)N2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000560742646 491554594 /nfs/dbraw/zinc/55/45/94/491554594.db2.gz ADPXJSIVFXPVEL-UHFFFAOYSA-N 1 1 352.395 0.164 20 5 FCBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000560744903 491554961 /nfs/dbraw/zinc/55/49/61/491554961.db2.gz OIODJYABOPITBI-UHFFFAOYSA-N 1 1 364.402 0.806 20 5 FCBDMO Nc1nccc(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000578081238 491669447 /nfs/dbraw/zinc/66/94/47/491669447.db2.gz PSNZROXRJMSWIX-KBPBESRZSA-N 1 1 371.397 0.937 20 5 FCBDMO Cc1nn(CCC(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)c(C)c1[N+](=O)[O-] ZINC000588860618 491750534 /nfs/dbraw/zinc/75/05/34/491750534.db2.gz KEUQZSKKXPBJNC-KBPBESRZSA-N 1 1 351.407 0.466 20 5 FCBDMO Cn1c2cc([N+](=O)[O-])c(N3CCN(c4[nH]cc[nH+]4)CC3)cc2n(C)c1=O ZINC000589597917 491763940 /nfs/dbraw/zinc/76/39/40/491763940.db2.gz FQIYWEAUMBBCSX-UHFFFAOYSA-N 1 1 357.374 0.835 20 5 FCBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000590522879 491778187 /nfs/dbraw/zinc/77/81/87/491778187.db2.gz DFNQSZCMGSYZEY-CYBMUJFWSA-N 1 1 364.402 0.886 20 5 FCBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000583557173 491847346 /nfs/dbraw/zinc/84/73/46/491847346.db2.gz TWMKRTRRDDXPAX-LLVKDONJSA-N 1 1 370.431 0.717 20 5 FCBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000583557173 491847347 /nfs/dbraw/zinc/84/73/47/491847347.db2.gz TWMKRTRRDDXPAX-LLVKDONJSA-N 1 1 370.431 0.717 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000594841831 491864862 /nfs/dbraw/zinc/86/48/62/491864862.db2.gz ABAJORIRNAKEQE-UHFFFAOYSA-N 1 1 372.447 0.544 20 5 FCBDMO Cn1cc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600535768 491867929 /nfs/dbraw/zinc/86/79/29/491867929.db2.gz RWMGLXAXPHWVST-CQSZACIVSA-N 1 1 359.386 0.792 20 5 FCBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596167933 491978413 /nfs/dbraw/zinc/97/84/13/491978413.db2.gz IYOHRDVQEBJOPE-HNNXBMFYSA-N 1 1 361.402 0.437 20 5 FCBDMO CCN(CC)C(=O)CN1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602760821 491997325 /nfs/dbraw/zinc/99/73/25/491997325.db2.gz CNPKZCYSSYCMLT-UHFFFAOYSA-N 1 1 366.466 0.976 20 5 FCBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602760821 491997327 /nfs/dbraw/zinc/99/73/27/491997327.db2.gz CNPKZCYSSYCMLT-UHFFFAOYSA-N 1 1 366.466 0.976 20 5 FCBDMO CCN(CC)C(=O)C[N@H+]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602760821 491997328 /nfs/dbraw/zinc/99/73/28/491997328.db2.gz CNPKZCYSSYCMLT-UHFFFAOYSA-N 1 1 366.466 0.976 20 5 FCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000602773362 491997816 /nfs/dbraw/zinc/99/78/16/491997816.db2.gz OXQRRTGHBMBBPJ-CQSZACIVSA-N 1 1 351.407 0.813 20 5 FCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000602773362 491997817 /nfs/dbraw/zinc/99/78/17/491997817.db2.gz OXQRRTGHBMBBPJ-CQSZACIVSA-N 1 1 351.407 0.813 20 5 FCBDMO CN1CC[NH+](CCCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000603631514 492039609 /nfs/dbraw/zinc/03/96/09/492039609.db2.gz JXBJLAPFLOCXKO-UHFFFAOYSA-N 1 1 356.448 0.901 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597710926 492060925 /nfs/dbraw/zinc/06/09/25/492060925.db2.gz YLCHXKYIOCKPHC-AWEZNQCLSA-N 1 1 351.407 0.813 20 5 FCBDMO CC1(C)CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000614894338 492062595 /nfs/dbraw/zinc/06/25/95/492062595.db2.gz APUAQJXXNOZUKL-UHFFFAOYSA-N 1 1 364.402 0.240 20 5 FCBDMO CC1(C)CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000614894983 492063011 /nfs/dbraw/zinc/06/30/11/492063011.db2.gz MHTBPAYLZKOQFP-UHFFFAOYSA-N 1 1 374.401 0.704 20 5 FCBDMO CC1(C)CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000614894983 492063013 /nfs/dbraw/zinc/06/30/13/492063013.db2.gz MHTBPAYLZKOQFP-UHFFFAOYSA-N 1 1 374.401 0.704 20 5 FCBDMO CC1(C)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000614920793 492064421 /nfs/dbraw/zinc/06/44/21/492064421.db2.gz QWKHLCXAIIOUJD-HNNXBMFYSA-N 1 1 353.419 0.723 20 5 FCBDMO CC1(C)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1CCO ZINC000614920793 492064422 /nfs/dbraw/zinc/06/44/22/492064422.db2.gz QWKHLCXAIIOUJD-HNNXBMFYSA-N 1 1 353.419 0.723 20 5 FCBDMO CC1(C)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1CCO ZINC000614920793 492064424 /nfs/dbraw/zinc/06/44/24/492064424.db2.gz QWKHLCXAIIOUJD-HNNXBMFYSA-N 1 1 353.419 0.723 20 5 FCBDMO 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ZINC000599175992 492139598 /nfs/dbraw/zinc/13/95/98/492139598.db2.gz MVHIMFISWVQNJV-OAHLLOKOSA-N 1 1 350.419 0.906 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000608867027 492194462 /nfs/dbraw/zinc/19/44/62/492194462.db2.gz IVQTXQAZGOICIH-GFCCVEGCSA-N 1 1 364.402 0.921 20 5 FCBDMO C[C@]1(CO)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@]1(C)CO ZINC000599624860 492194601 /nfs/dbraw/zinc/19/46/01/492194601.db2.gz XUECHJPCMAGEPB-HDICACEKSA-N 1 1 363.414 0.797 20 5 FCBDMO C[C@]1(CO)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@]1(C)CO ZINC000599624860 492194603 /nfs/dbraw/zinc/19/46/03/492194603.db2.gz XUECHJPCMAGEPB-HDICACEKSA-N 1 1 363.414 0.797 20 5 FCBDMO Cc1nn(C)c(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000609170538 492199693 /nfs/dbraw/zinc/19/96/93/492199693.db2.gz RMGGJYFWKLXGGS-LBPRGKRZSA-N 1 1 366.422 0.309 20 5 FCBDMO COC(=O)c1cc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)cc([N+](=O)[O-])c1 ZINC000609284900 492203849 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RXZZVQIVEZAKHX-CHWSQXEVSA-N 1 1 351.359 0.974 20 5 FCBDMO O=C1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000591747764 546939632 /nfs/dbraw/zinc/93/96/32/546939632.db2.gz GZMJNLHHJMRGGC-LLVKDONJSA-N 1 1 353.400 0.721 20 5 FCBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000592202334 546946231 /nfs/dbraw/zinc/94/62/31/546946231.db2.gz FGMORYOTUYWNTO-UPJWGTAASA-N 1 1 354.359 0.190 20 5 FCBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000592202332 546946563 /nfs/dbraw/zinc/94/65/63/546946563.db2.gz FGMORYOTUYWNTO-JHJVBQTASA-N 1 1 354.359 0.190 20 5 FCBDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000592387816 546949398 /nfs/dbraw/zinc/94/93/98/546949398.db2.gz CAJJEKNPISKNES-NSHDSACASA-N 1 1 373.387 0.129 20 5 FCBDMO COc1cc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])cc1OC ZINC000593856678 546993347 /nfs/dbraw/zinc/99/33/47/546993347.db2.gz ZFYWDMNKMYBHCV-LLVKDONJSA-N 1 1 351.359 0.503 20 5 FCBDMO COc1cc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])cc1OC ZINC000593856678 546993351 /nfs/dbraw/zinc/99/33/51/546993351.db2.gz ZFYWDMNKMYBHCV-LLVKDONJSA-N 1 1 351.359 0.503 20 5 FCBDMO CC[NH+]1CCN(C(=O)CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593898261 546994419 /nfs/dbraw/zinc/99/44/19/546994419.db2.gz HBNXMLBUJQOCON-UHFFFAOYSA-N 1 1 352.366 0.557 20 5 FCBDMO CN(C)C(=O)C[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000736745824 598593252 /nfs/dbraw/zinc/59/32/52/598593252.db2.gz CIZUGCSGDKIWRT-UHFFFAOYSA-N 1 1 374.405 0.739 20 5 FCBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000954239668 674492549 /nfs/dbraw/zinc/49/25/49/674492549.db2.gz OKAVVTRLKMROAY-ZIAGYGMSSA-N 1 1 352.435 0.585 20 5 FCBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1[NH+]1CCOCC1 ZINC000820775877 606226893 /nfs/dbraw/zinc/22/68/93/606226893.db2.gz JQTQNJNMMDIYSK-ABAIWWIYSA-N 1 1 359.390 0.932 20 5 FCBDMO O=C(CN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NC1CCCCC1 ZINC000981136768 664813862 /nfs/dbraw/zinc/81/38/62/664813862.db2.gz GVVWSYHKVCBMNH-HUUCEWRRSA-N 1 1 352.435 0.635 20 5 FCBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000894957334 664994248 /nfs/dbraw/zinc/99/42/48/664994248.db2.gz GEHUQWFUPZISEX-UHFFFAOYSA-N 1 1 372.223 0.963 20 5 FCBDMO COc1ccc(CC(=O)NC2CC[NH+](CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000727848586 665076392 /nfs/dbraw/zinc/07/63/92/665076392.db2.gz MAOFKWWVTCEUSC-UHFFFAOYSA-N 1 1 350.375 0.212 20 5 FCBDMO CCn1nnc(C)c1C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985431479 665166825 /nfs/dbraw/zinc/16/68/25/665166825.db2.gz PZSDAVGTLJWWNP-ZIAGYGMSSA-N 1 1 350.423 0.694 20 5 FCBDMO CCn1nnc(C)c1C[N@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985431479 665166827 /nfs/dbraw/zinc/16/68/27/665166827.db2.gz PZSDAVGTLJWWNP-ZIAGYGMSSA-N 1 1 350.423 0.694 20 5 FCBDMO CCn1nnc(C)c1C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985431479 665166829 /nfs/dbraw/zinc/16/68/29/665166829.db2.gz PZSDAVGTLJWWNP-ZIAGYGMSSA-N 1 1 350.423 0.694 20 5 FCBDMO CCn1nncc1C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964541 665219480 /nfs/dbraw/zinc/21/94/80/665219480.db2.gz OBDSANFKNFNXDS-HUUCEWRRSA-N 1 1 350.423 0.634 20 5 FCBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)C[C@]3(O)CCOC3)CC2)cc1 ZINC000905874549 666040262 /nfs/dbraw/zinc/04/02/62/666040262.db2.gz MCRPUAHIMLYFGN-IAGOWNOFSA-N 1 1 351.403 0.619 20 5 FCBDMO O=C(NC1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991292950 666299639 /nfs/dbraw/zinc/29/96/39/666299639.db2.gz KQMCQPAMCKRPCU-HUUCEWRRSA-N 1 1 350.419 0.101 20 5 FCBDMO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000732050076 666852973 /nfs/dbraw/zinc/85/29/73/666852973.db2.gz LENABOXDKHVGPQ-LBPRGKRZSA-N 1 1 353.379 0.961 20 5 FCBDMO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000732050076 666852977 /nfs/dbraw/zinc/85/29/77/666852977.db2.gz LENABOXDKHVGPQ-LBPRGKRZSA-N 1 1 353.379 0.961 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ncnn2CCF)CC1 ZINC000997773068 667175650 /nfs/dbraw/zinc/17/56/50/667175650.db2.gz RRCGCYJFXZVIIU-CHWSQXEVSA-N 1 1 354.386 0.241 20 5 FCBDMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)C1 ZINC000777908959 668341907 /nfs/dbraw/zinc/34/19/07/668341907.db2.gz QDOWZVUKRDQNBB-SNVBAGLBSA-N 1 1 370.387 0.534 20 5 FCBDMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)C1 ZINC000777908959 668341910 /nfs/dbraw/zinc/34/19/10/668341910.db2.gz QDOWZVUKRDQNBB-SNVBAGLBSA-N 1 1 370.387 0.534 20 5 FCBDMO NS(=O)(=O)c1c(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000785797682 668732250 /nfs/dbraw/zinc/73/22/50/668732250.db2.gz CALKYNXLBNXZGN-GHMZBOCLSA-N 1 1 356.404 0.517 20 5 FCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000818986023 668968182 /nfs/dbraw/zinc/96/81/82/668968182.db2.gz DBVZOOOUNQYJPR-CABCVRRESA-N 1 1 369.443 0.821 20 5 FCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000818986023 668968185 /nfs/dbraw/zinc/96/81/85/668968185.db2.gz DBVZOOOUNQYJPR-CABCVRRESA-N 1 1 369.443 0.821 20 5 FCBDMO COc1cc(C[NH2+]C2CC3(CC(NC(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)on1 ZINC000963791141 675003868 /nfs/dbraw/zinc/00/38/68/675003868.db2.gz OCHHSRGJSCVOTR-ICJZLJJZSA-N 1 1 350.375 0.865 20 5 FCBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC[C@H]1CCOC1=O ZINC000817286796 670006364 /nfs/dbraw/zinc/00/63/64/670006364.db2.gz AYFZBKMGUDURLR-LBPRGKRZSA-N 1 1 371.415 0.758 20 5 FCBDMO C[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 ZINC000842698401 670714725 /nfs/dbraw/zinc/71/47/25/670714725.db2.gz OMZIKPYOKVXHJK-JTQLQIEISA-N 1 1 370.387 0.534 20 5 FCBDMO COCCOCC[NH+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000844467416 670924881 /nfs/dbraw/zinc/92/48/81/670924881.db2.gz KIVRJKQJKKBRFY-KRWDZBQOSA-N 1 1 353.419 0.909 20 5 FCBDMO 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CCOc1ccc(C(=O)NC2CC[NH+](CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000880185288 673180396 /nfs/dbraw/zinc/18/03/96/673180396.db2.gz LDCPCTMGQUBBQO-UHFFFAOYSA-N 1 1 350.375 0.673 20 5 FCBDMO C[NH+](C)C1(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000969003450 675259910 /nfs/dbraw/zinc/25/99/10/675259910.db2.gz IUYSCKZYVNMIRD-XJFOESAGSA-N 1 1 350.419 0.338 20 5 FCBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2cnc(C(F)(F)F)nc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139675 675435577 /nfs/dbraw/zinc/43/55/77/675435577.db2.gz LFUUYTJDKYTTGK-GWOFURMSSA-N 1 1 359.308 0.897 20 5 FCBDMO Cc1csc(=O)n1CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001045437701 675653748 /nfs/dbraw/zinc/65/37/48/675653748.db2.gz ZBBPYTHKAGDJKV-CHWSQXEVSA-N 1 1 368.459 0.854 20 5 FCBDMO Cn1cnnc1C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001048607746 675866721 /nfs/dbraw/zinc/86/67/21/675866721.db2.gz KUOXRPQDODERFB-AAVRWANBSA-N 1 1 350.423 0.493 20 5 FCBDMO COc1cc([N+](=O)[O-])cnc1N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000891831547 1170892090 /nfs/dbraw/zinc/89/20/90/1170892090.db2.gz XDYSZDAUQFWRAI-UHFFFAOYSA-N 1 1 363.418 0.989 20 5 FCBDMO CN(C)Cc1cc(C(=O)N2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)no1 ZINC000947307691 1181609676 /nfs/dbraw/zinc/60/96/76/1181609676.db2.gz MNYNQJNBXBIORZ-TZMCWYRMSA-N 1 1 365.390 0.122 20 5 FCBDMO COc1cccc(OCC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001025776044 1182831977 /nfs/dbraw/zinc/83/19/77/1182831977.db2.gz USBNVWNZFWVDCT-UUAJXVIYSA-N 1 1 361.398 0.786 20 5 FCBDMO COc1cccc(OCC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001025776044 1182831980 /nfs/dbraw/zinc/83/19/80/1182831980.db2.gz USBNVWNZFWVDCT-UUAJXVIYSA-N 1 1 361.398 0.786 20 5 FCBDMO COc1cccc(OCC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001025776044 1182831983 /nfs/dbraw/zinc/83/19/83/1182831983.db2.gz USBNVWNZFWVDCT-UUAJXVIYSA-N 1 1 361.398 0.786 20 5 FCBDMO Cc1c(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])ccc2c[nH+]cn21 ZINC000976480771 1185957195 /nfs/dbraw/zinc/95/71/95/1185957195.db2.gz MBSXAXIVACOAOU-LJIZCISZSA-N 1 1 369.381 0.495 20 5 FCBDMO O=C(NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccc2c[nH+]cn2c1 ZINC000980041996 1186169145 /nfs/dbraw/zinc/16/91/45/1186169145.db2.gz ZGUWQWOGNPBYIO-PZTHBURQSA-N 1 1 357.370 0.624 20 5 FCBDMO CNC(=O)c1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000983647581 1188246556 /nfs/dbraw/zinc/24/65/56/1188246556.db2.gz AUKIDNHUBRSBCA-DTZQCDIJSA-N 1 1 360.414 0.696 20 5 FCBDMO COc1cc(OCC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000896567357 1190094607 /nfs/dbraw/zinc/09/46/07/1190094607.db2.gz GGLDAPLPZZFUBL-SWLSCSKDSA-N 1 1 366.418 0.733 20 5 FCBDMO COc1cc(OCC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000896567355 1190095189 /nfs/dbraw/zinc/09/51/89/1190095189.db2.gz GGLDAPLPZZFUBL-IUODEOHRSA-N 1 1 366.418 0.733 20 5 FCBDMO CN1CCN(C(C)(C)C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000591739440 1196526104 /nfs/dbraw/zinc/52/61/04/1196526104.db2.gz VHIYILQXLXLVFZ-OAHLLOKOSA-N 1 1 366.462 0.950 20 5 FCBDMO CN1CCN(C(C)(C)C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000591739439 1196526394 /nfs/dbraw/zinc/52/63/94/1196526394.db2.gz VHIYILQXLXLVFZ-HNNXBMFYSA-N 1 1 366.462 0.950 20 5 FCBDMO O=C1C[C@H](N2CC[NH+]([C@H]3CCOC3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000594660541 1196734070 /nfs/dbraw/zinc/73/40/70/1196734070.db2.gz OHEPRULVYALYLX-HOTGVXAUSA-N 1 1 374.397 0.633 20 5 FCBDMO Cn1nnc2cc(C[NH2+][C@H]3C[C@@H](CNC(=O)[C@@H]4CC4[N+](=O)[O-])C3)ccc21 ZINC001086083235 1198141592 /nfs/dbraw/zinc/14/15/92/1198141592.db2.gz RRXXYTYZEIIOOK-OQMKEHIESA-N 1 1 358.402 0.618 20 5 FCBDMO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000808161085 1202875045 /nfs/dbraw/zinc/87/50/45/1202875045.db2.gz QHNYQMZBTZXIPC-AHIWAGSCSA-N 1 1 374.397 0.755 20 5 FCBDMO NC(=O)C[C@H]1CC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000808230006 1202877278 /nfs/dbraw/zinc/87/72/78/1202877278.db2.gz XORFHXTXCOQYBR-LLVKDONJSA-N 1 1 361.358 0.518 20 5 FCBDMO NC(=O)C[C@H]1CC[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000808230006 1202877279 /nfs/dbraw/zinc/87/72/79/1202877279.db2.gz XORFHXTXCOQYBR-LLVKDONJSA-N 1 1 361.358 0.518 20 5 FCBDMO CNC(=O)CN1CCO[C@H]2C[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001173227748 1206266778 /nfs/dbraw/zinc/26/67/78/1206266778.db2.gz VVTUSLONXYTJFA-XKQJLSEDSA-N 1 1 362.430 0.657 20 5 FCBDMO CNC(=O)CN1CCO[C@H]2C[N@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001173227748 1206266780 /nfs/dbraw/zinc/26/67/80/1206266780.db2.gz VVTUSLONXYTJFA-XKQJLSEDSA-N 1 1 362.430 0.657 20 5 FCBDMO O=[N+]([O-])c1cc(O)cc(Nc2cc(N3CC[NH+](CCO)CC3)ncn2)c1 ZINC001199815097 1208371701 /nfs/dbraw/zinc/37/17/01/1208371701.db2.gz UNUVAFGMLVVATN-UHFFFAOYSA-N 1 1 360.374 0.948 20 5 FCBDMO NC(=O)[C@](O)(C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000852151738 1209535303 /nfs/dbraw/zinc/53/53/03/1209535303.db2.gz LWTUVEVEQJUXJU-SFHVURJKSA-N 1 1 371.397 0.485 20 5 FCBDMO NC(=O)c1cccnc1N1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776587346 1209543296 /nfs/dbraw/zinc/54/32/96/1209543296.db2.gz MBFJUPOGRBMUSE-MRXNPFEDSA-N 1 1 371.397 0.944 20 5 FCBDMO O=[N+]([O-])c1c(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)ncnc1N1CCOCC1 ZINC000856726430 1209726925 /nfs/dbraw/zinc/72/69/25/1209726925.db2.gz GJVDETOUCOJVIV-STQMWFEESA-N 1 1 364.406 0.497 20 5 FCBDMO O=[N+]([O-])c1c(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)ncnc1N1CCOCC1 ZINC000856726427 1209727071 /nfs/dbraw/zinc/72/70/71/1209727071.db2.gz GJVDETOUCOJVIV-CHWSQXEVSA-N 1 1 364.406 0.497 20 5 FCBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000865665949 1209982501 /nfs/dbraw/zinc/98/25/01/1209982501.db2.gz FPWDUYIGUUKKAD-UHFFFAOYSA-N 1 1 366.393 0.945 20 5 FCBDMO NC(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000778560121 1211900508 /nfs/dbraw/zinc/90/05/08/1211900508.db2.gz LMNFJYCHRMZVSL-UHFFFAOYSA-N 1 1 372.328 0.876 20 5 FCBDMO CC1(C)CC[N@@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000969003582 1212221315 /nfs/dbraw/zinc/22/13/15/1212221315.db2.gz MNURRVYPVSVUTE-LXTVHRRPSA-N 1 1 364.446 0.585 20 5 FCBDMO CC1(C)CC[N@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000969003582 1212221321 /nfs/dbraw/zinc/22/13/21/1212221321.db2.gz MNURRVYPVSVUTE-LXTVHRRPSA-N 1 1 364.446 0.585 20 5 FCBDMO CC1(C)CC[N@@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000969003582 1212221326 /nfs/dbraw/zinc/22/13/26/1212221326.db2.gz MNURRVYPVSVUTE-LXTVHRRPSA-N 1 1 364.446 0.585 20 5 FCBDMO Cn1cc(C[NH+]2CCC3(CC2)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO3)cn1 ZINC000949091987 1212289315 /nfs/dbraw/zinc/28/93/15/1212289315.db2.gz LJIACWNCVLIZEQ-HUUCEWRRSA-N 1 1 363.418 0.279 20 5 FCBDMO Cc1ncoc1C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC000949092284 1212289414 /nfs/dbraw/zinc/28/94/14/1212289414.db2.gz SIFALRSIUIBHPH-ZIAGYGMSSA-N 1 1 364.402 0.842 20 5 FCBDMO O=C(NCC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000949158561 1212309783 /nfs/dbraw/zinc/30/97/83/1212309783.db2.gz YBBIWLZJJDJYPN-HZPDHXFCSA-N 1 1 371.397 0.968 20 5 FCBDMO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000795705405 1213276128 /nfs/dbraw/zinc/27/61/28/1213276128.db2.gz ZCHKXQKNFILLRW-STQMWFEESA-N 1 1 374.397 0.943 20 5 FCBDMO O=C(NCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccc2c[nH+]cn2c1 ZINC001017576704 1214119588 /nfs/dbraw/zinc/11/95/88/1214119588.db2.gz QOYSKYWMZZEGTN-HZPDHXFCSA-N 1 1 369.381 0.888 20 5 FCBDMO O=C(N[C@H]1C[C@H]([NH2+]CCn2cnc3ccccc3c2=O)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139003 1214312903 /nfs/dbraw/zinc/31/29/03/1214312903.db2.gz MCTZBLYWOZPDRK-ZNEHSRBWSA-N 1 1 371.397 0.299 20 5 FCBDMO Cn1cc(C[N@@H+](CC2CC2)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 ZINC001039485768 1214378638 /nfs/dbraw/zinc/37/86/38/1214378638.db2.gz OUVNCMHYDDSHOI-HZPDHXFCSA-N 1 1 362.434 0.683 20 5 FCBDMO Cn1cc(C[N@H+](CC2CC2)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC001039485768 1214378644 /nfs/dbraw/zinc/37/86/44/1214378644.db2.gz OUVNCMHYDDSHOI-HZPDHXFCSA-N 1 1 362.434 0.683 20 5 FCBDMO Cn1cc(C[N@@H+](CC2CC2)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC001039485768 1214378651 /nfs/dbraw/zinc/37/86/51/1214378651.db2.gz OUVNCMHYDDSHOI-HZPDHXFCSA-N 1 1 362.434 0.683 20 5 FCBDMO CN(C(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1)C1CC1 ZINC001040700139 1214567471 /nfs/dbraw/zinc/56/74/71/1214567471.db2.gz JUUAWQFGNWQUKC-HUUCEWRRSA-N 1 1 364.446 0.587 20 5 FCBDMO O=C(NC1CC2(C1)CC([NH2+]Cc1ncnn1CCF)C2)[C@@H]1CC1[N+](=O)[O-] ZINC000963789308 1214851100 /nfs/dbraw/zinc/85/11/00/1214851100.db2.gz WVHNSEWZCSUIJT-FIRKGOOJSA-N 1 1 366.397 0.430 20 5 FCBDMO O=C(C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1)N1CCCCCC1 ZINC001048814286 1218319027 /nfs/dbraw/zinc/31/90/27/1218319027.db2.gz CIQLZZNZBORTLQ-QKPAOTATSA-N 1 1 364.446 0.444 20 5 FCBDMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1)N1CCCCCC1 ZINC001048814286 1218319028 /nfs/dbraw/zinc/31/90/28/1218319028.db2.gz CIQLZZNZBORTLQ-QKPAOTATSA-N 1 1 364.446 0.444 20 5 FCBDMO O=C(C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1)N1CCCCCC1 ZINC001048814286 1218319031 /nfs/dbraw/zinc/31/90/31/1218319031.db2.gz CIQLZZNZBORTLQ-QKPAOTATSA-N 1 1 364.446 0.444 20 5 FCBDMO C[N@@H+](CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1)CC(C)(C)C ZINC001055331501 1219028430 /nfs/dbraw/zinc/02/84/30/1219028430.db2.gz JTKHOHZPANOGBQ-LXTVHRRPSA-N 1 1 366.462 0.546 20 5 FCBDMO C[N@H+](CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1)CC(C)(C)C ZINC001055331501 1219028435 /nfs/dbraw/zinc/02/84/35/1219028435.db2.gz JTKHOHZPANOGBQ-LXTVHRRPSA-N 1 1 366.462 0.546 20 5 FCBDMO C[N@@H+](CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1)CC(C)(C)C ZINC001055331501 1219028437 /nfs/dbraw/zinc/02/84/37/1219028437.db2.gz JTKHOHZPANOGBQ-LXTVHRRPSA-N 1 1 366.462 0.546 20 5 FCBDMO CC1(C(=O)NC2CC[NH+](CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC=CC1 ZINC001055575004 1219083779 /nfs/dbraw/zinc/08/37/79/1219083779.db2.gz HZOJYXZKYAHWDW-HUUCEWRRSA-N 1 1 364.446 0.705 20 5 FCBDMO CC1(C)CC(C(=O)NC2CC[NH+](CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001055575344 1219084523 /nfs/dbraw/zinc/08/45/23/1219084523.db2.gz SOJNVBOLKCXXGH-HUUCEWRRSA-N 1 1 366.462 0.785 20 5 FCBDMO C[NH+](C)CCCCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070180186 1219272899 /nfs/dbraw/zinc/27/28/99/1219272899.db2.gz FYALTKOXPVMHGL-ZIAGYGMSSA-N 1 1 370.450 0.165 20 5 FCBDMO COc1cc(CCNC(=O)CC[NH+]2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000751307572 1220033411 /nfs/dbraw/zinc/03/34/11/1220033411.db2.gz XNLGBALEOUTRGL-UHFFFAOYSA-N 1 1 367.402 0.993 20 5 FCBDMO O=C(NCC1([NH2+]CCN2C(=O)CCC2=O)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001115530538 1221311561 /nfs/dbraw/zinc/31/15/61/1221311561.db2.gz CGFVWUXGJDOFLX-CHWSQXEVSA-N 1 1 366.418 0.209 20 5 FCBDMO Cn1c(COc2ccccc2[N+](=O)[O-])nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001121459573 1222181744 /nfs/dbraw/zinc/18/17/44/1222181744.db2.gz NSEKDAJUFKQGST-CYBMUJFWSA-N 1 1 374.401 0.823 20 5 FCBDMO Cn1c(COc2ccccc2[N+](=O)[O-])nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001121459573 1222181752 /nfs/dbraw/zinc/18/17/52/1222181752.db2.gz NSEKDAJUFKQGST-CYBMUJFWSA-N 1 1 374.401 0.823 20 5 FCBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000828195399 1222396154 /nfs/dbraw/zinc/39/61/54/1222396154.db2.gz DITZQVUFFVRXLR-CVEARBPZSA-N 1 1 360.414 0.931 20 5 FCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000828499300 1222407097 /nfs/dbraw/zinc/40/70/97/1222407097.db2.gz UNAYZBNKTJYEEV-WBMJQRKESA-N 1 1 365.386 0.724 20 5 FCBDMO COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000828499300 1222407106 /nfs/dbraw/zinc/40/71/06/1222407106.db2.gz UNAYZBNKTJYEEV-WBMJQRKESA-N 1 1 365.386 0.724 20 5 FCBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000830457735 1222473791 /nfs/dbraw/zinc/47/37/91/1222473791.db2.gz WPFAOGCDUYHLAB-ZDUSSCGKSA-N 1 1 370.406 0.574 20 5 FCBDMO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839687395 1222754104 /nfs/dbraw/zinc/75/41/04/1222754104.db2.gz DGNGRGTZKOXYPC-GDBMZVCRSA-N 1 1 362.430 0.941 20 5 FCBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCN(c3[nH+]cccc3N)CC2)n1 ZINC001154787654 1223018800 /nfs/dbraw/zinc/01/88/00/1223018800.db2.gz KZHBKAXDOGOADE-UHFFFAOYSA-N 1 1 372.389 0.955 20 5 FCBDMO [NH3+][C@@H]1NCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[C@H]2NCN[C@@H]21 ZINC001162443490 1223215517 /nfs/dbraw/zinc/21/55/17/1223215517.db2.gz HITGAYZQQLNGNK-BZUAXINKSA-N 1 1 359.365 0.293 20 5 FCBDMO CC1CCN(C(=O)C[NH2+]CC2(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001164490586 1223239081 /nfs/dbraw/zinc/23/90/81/1223239081.db2.gz NGBJXXIYAYLPJM-HUUCEWRRSA-N 1 1 366.462 0.786 20 5 FCBDMO COc1coc(C[NH2+]CC2(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1=O ZINC001164494929 1223239394 /nfs/dbraw/zinc/23/93/94/1223239394.db2.gz YOTIBNKMBPAXRJ-CHWSQXEVSA-N 1 1 365.386 0.690 20 5 FCBDMO COc1nc(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC001165082688 1223241885 /nfs/dbraw/zinc/24/18/85/1223241885.db2.gz WHXPBQPITHXJEF-UHFFFAOYSA-N 1 1 363.418 0.989 20 5 FCBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000920286519 1245619229 /nfs/dbraw/zinc/61/92/29/1245619229.db2.gz ZEMVHAQQESXRJX-UHFFFAOYSA-N 1 1 364.402 0.596 20 5 FCBDMO C[NH+]1CCN(C(=O)CNc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC001515408527 1265515256 /nfs/dbraw/zinc/51/52/56/1265515256.db2.gz QYOGCOBCBZRPDF-UHFFFAOYSA-N 1 1 358.196 0.360 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000996429232 1251345288 /nfs/dbraw/zinc/34/52/88/1251345288.db2.gz MVUIRLYWYCMXDV-ZIAGYGMSSA-N 1 1 361.402 0.805 20 5 FCBDMO CNC(=O)c1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000996441392 1251347331 /nfs/dbraw/zinc/34/73/31/1251347331.db2.gz RINVPDUHUIHRCP-HZPDHXFCSA-N 1 1 360.414 0.792 20 5 FCBDMO COc1ncc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)n1 ZINC000997773607 1251699087 /nfs/dbraw/zinc/69/90/87/1251699087.db2.gz WTZKCPBJLBKYSF-HUUCEWRRSA-N 1 1 363.418 0.787 20 5 FCBDMO Cn1c(-c2csc([N+](=O)[O-])c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001519416889 1265719669 /nfs/dbraw/zinc/71/96/69/1265719669.db2.gz YIRFCXHOTORESF-LLVKDONJSA-N 1 1 350.404 0.973 20 5 FCBDMO Cn1c(-c2csc([N+](=O)[O-])c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001519416889 1265719672 /nfs/dbraw/zinc/71/96/72/1265719672.db2.gz YIRFCXHOTORESF-LLVKDONJSA-N 1 1 350.404 0.973 20 5 FCBDMO C[NH+](C)CCOCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060730777 1254135020 /nfs/dbraw/zinc/13/50/20/1254135020.db2.gz YZQYKTLAYHOQGH-KBUPBQIOSA-N 1 1 370.450 0.021 20 5 FCBDMO C[NH+](C)CCOCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060765761 1254137451 /nfs/dbraw/zinc/13/74/51/1254137451.db2.gz SCJRNLXJMPPWKY-KBUPBQIOSA-N 1 1 370.450 0.021 20 5 FCBDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC001329710979 1265818448 /nfs/dbraw/zinc/81/84/48/1265818448.db2.gz PCTCOAZOKDZXRJ-STQMWFEESA-N 1 1 366.422 0.239 20 5 FCBDMO CCN1CCN([C@@H](C)C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001335351830 1259620742 /nfs/dbraw/zinc/62/07/42/1259620742.db2.gz PSFDLRUTQJBRFW-HOTGVXAUSA-N 1 1 366.462 0.950 20 5 FCBDMO Cc1nn(CCC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC001318542356 1263584593 /nfs/dbraw/zinc/58/45/93/1263584593.db2.gz VWVQALCLBGZXTL-UHFFFAOYSA-N 1 1 366.466 0.940 20 5 FCBDMO C[C@H](NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC001323429497 1264428627 /nfs/dbraw/zinc/42/86/27/1264428627.db2.gz WJMBLKXXXNGASJ-SWLSCSKDSA-N 1 1 364.402 0.089 20 5 FCBDMO C[C@H](NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC001323429497 1264428630 /nfs/dbraw/zinc/42/86/30/1264428630.db2.gz WJMBLKXXXNGASJ-SWLSCSKDSA-N 1 1 364.402 0.089 20 5 FCBDMO O=[N+]([O-])Cc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCc1ccccc1 ZINC001340797119 1268661669 /nfs/dbraw/zinc/66/16/69/1268661669.db2.gz VHKRBSOGLSWLJV-INIZCTEOSA-N 1 1 372.429 0.818 20 5 FCBDMO O=[N+]([O-])Cc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCc1ccccc1 ZINC001340797119 1268661676 /nfs/dbraw/zinc/66/16/76/1268661676.db2.gz VHKRBSOGLSWLJV-INIZCTEOSA-N 1 1 372.429 0.818 20 5 FCBDMO C[N@@H+](CC(=O)NCCNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])C1CCC1 ZINC001579013481 1276587372 /nfs/dbraw/zinc/58/73/72/1276587372.db2.gz CEXKRUJMAHSPNU-UHFFFAOYSA-N 1 1 374.405 0.787 20 5 FCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001582803604 1282029874 /nfs/dbraw/zinc/02/98/74/1282029874.db2.gz NMMBBOAJEBIGIF-LBPRGKRZSA-N 1 1 360.378 0.835 20 5 FCBDMO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC001589915195 1283125054 /nfs/dbraw/zinc/12/50/54/1283125054.db2.gz ZMAHOBWQKMLOTB-RKDXNWHRSA-N 1 1 367.391 0.133 20 5 FCBDMO CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccc(-c2nn[nH]n2)c1 ZINC001590626801 1283668283 /nfs/dbraw/zinc/66/82/83/1283668283.db2.gz TZOXCMKXQDTVDS-HUUCEWRRSA-N 1 1 373.417 0.860 20 5 FCBDMO CCC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cccc(-c2nn[nH]n2)c1 ZINC001590626801 1283668300 /nfs/dbraw/zinc/66/83/00/1283668300.db2.gz TZOXCMKXQDTVDS-HUUCEWRRSA-N 1 1 373.417 0.860 20 5 FCBDMO CCC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cccc(-c2nn[nH]n2)c1 ZINC001590626801 1283668315 /nfs/dbraw/zinc/66/83/15/1283668315.db2.gz TZOXCMKXQDTVDS-HUUCEWRRSA-N 1 1 373.417 0.860 20 5 FCBDMO CC[N@@H+](C)CCC(=O)NCCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590678832 1283730789 /nfs/dbraw/zinc/73/07/89/1283730789.db2.gz ORIOUYPQYWEQFD-UHFFFAOYSA-N 1 1 362.394 0.645 20 5 FCBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001591123492 1284195890 /nfs/dbraw/zinc/19/58/90/1284195890.db2.gz GTEMEJGVPJGKEP-CQSZACIVSA-N 1 1 358.362 0.637 20 5 FCBDMO C[N@H+]1CCN(CCNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1(C)C ZINC001591192553 1284310755 /nfs/dbraw/zinc/31/07/55/1284310755.db2.gz HMJWZZASSHHURT-UHFFFAOYSA-N 1 1 361.410 0.608 20 5 FCBDMO Nc1c([N+](=O)[O-])ccc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1-c1nn[nH]n1 ZINC001592757504 1285680211 /nfs/dbraw/zinc/68/02/11/1285680211.db2.gz KSLBOSHKHRRNFU-UWVGGRQHSA-N 1 1 360.378 0.632 20 5 FCBDMO Nc1cc(NC[C@H]2CCC[N@H+]2CCCO)cc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001592759654 1285682046 /nfs/dbraw/zinc/68/20/46/1285682046.db2.gz FTDWOKAFGTXLMR-LLVKDONJSA-N 1 1 362.394 0.616 20 5 FCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001593466455 1286170468 /nfs/dbraw/zinc/17/04/68/1286170468.db2.gz CNFMWDFCCGMLPH-HNNXBMFYSA-N 1 1 373.417 0.806 20 5 FCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N1CCC([NH+]2CCOCC2)CC1 ZINC001593470111 1286172430 /nfs/dbraw/zinc/17/24/30/1286172430.db2.gz JSWZXGYPMADWPK-UHFFFAOYSA-N 1 1 360.378 0.471 20 5 FCBDMO O=[N+]([O-])c1cnc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c(-c2nn[nH]n2)c1 ZINC001593485958 1286173758 /nfs/dbraw/zinc/17/37/58/1286173758.db2.gz IEBUEAXOTAVPFP-LBPRGKRZSA-N 1 1 360.378 0.205 20 5 FCBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001593481232 1286174523 /nfs/dbraw/zinc/17/45/23/1286174523.db2.gz PPDJVSZPLSKTCM-CHWSQXEVSA-N 1 1 359.390 0.810 20 5 FCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)c1-c1nn[nH]n1 ZINC001593483982 1286174591 /nfs/dbraw/zinc/17/45/91/1286174591.db2.gz NGUKCODRWXSHLA-SECBINFHSA-N 1 1 367.391 0.195 20 5 FCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[NH2+]C[C@H]1C(=O)[O-] ZINC001600304805 1286475537 /nfs/dbraw/zinc/47/55/37/1286475537.db2.gz MZVMGXHUOKNCFP-AWEZNQCLSA-N 1 1 350.375 0.980 20 5 FCBDMO CC[NH2+]CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001609229789 1289002656 /nfs/dbraw/zinc/00/26/56/1289002656.db2.gz WRMXMROKBCUGAS-UHFFFAOYSA-N 1 1 355.380 0.053 20 5 FCBDMO CC(C)[N@@H+](C)CC(=O)N1CCC(CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001688580020 1294511085 /nfs/dbraw/zinc/51/10/85/1294511085.db2.gz JJRSPWPXAXWVEV-HUUCEWRRSA-N 1 1 354.451 0.689 20 5 FCBDMO CC(C)[N@H+](C)CC(=O)N1CCC(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001688580020 1294511090 /nfs/dbraw/zinc/51/10/90/1294511090.db2.gz JJRSPWPXAXWVEV-HUUCEWRRSA-N 1 1 354.451 0.689 20 5 FCBDMO CC(C)[N@@H+](C)CC(=O)N1CCC(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001688580020 1294511099 /nfs/dbraw/zinc/51/10/99/1294511099.db2.gz JJRSPWPXAXWVEV-HUUCEWRRSA-N 1 1 354.451 0.689 20 5 FCBDMO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)Nc1cc(F)ccc1F ZINC001690336478 1294865122 /nfs/dbraw/zinc/86/51/22/1294865122.db2.gz HKVGRUQXYTWHRV-FBKDDSFISA-N 1 1 368.340 0.805 20 5 FCBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740393 720727006 /nfs/dbraw/zinc/72/70/06/720727006.db2.gz KNGORUSZKDRTSD-ZIAGYGMSSA-N 1 1 372.385 0.669 20 5 FCBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(C)ncc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164851330 720850865 /nfs/dbraw/zinc/85/08/65/720850865.db2.gz GRRYJQDUPBPKSB-ZFWWWQNUSA-N 1 1 351.407 0.867 20 5 FCBDMO COCC[N@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])c(C)n3)CC[C@H]2C1 ZINC001164853344 720886188 /nfs/dbraw/zinc/88/61/88/720886188.db2.gz BZWAQWKVTLBPPH-DZGCQCFKSA-N 1 1 351.407 0.867 20 5 FCBDMO CCC[N@@H+](C)CCC(=O)NC1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001073013178 837752077 /nfs/dbraw/zinc/75/20/77/837752077.db2.gz SZAPZADSVRCELI-ZIAGYGMSSA-N 1 1 354.451 0.881 20 5 FCBDMO CCC[N@H+](C)CCC(=O)NC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073013178 837752080 /nfs/dbraw/zinc/75/20/80/837752080.db2.gz SZAPZADSVRCELI-ZIAGYGMSSA-N 1 1 354.451 0.881 20 5 FCBDMO CCC[N@@H+](C)CCC(=O)NC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073013178 837752084 /nfs/dbraw/zinc/75/20/84/837752084.db2.gz SZAPZADSVRCELI-ZIAGYGMSSA-N 1 1 354.451 0.881 20 5 FCBDMO CCN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001080562683 839748151 /nfs/dbraw/zinc/74/81/51/839748151.db2.gz JHROUJDKYVCNCZ-ZIAGYGMSSA-N 1 1 352.435 0.443 20 5 FCBDMO CCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080562683 839748166 /nfs/dbraw/zinc/74/81/66/839748166.db2.gz JHROUJDKYVCNCZ-ZIAGYGMSSA-N 1 1 352.435 0.443 20 5 FCBDMO CCN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080562683 839748173 /nfs/dbraw/zinc/74/81/73/839748173.db2.gz JHROUJDKYVCNCZ-ZIAGYGMSSA-N 1 1 352.435 0.443 20 5 FCBDMO Cc1ncsc1C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001098364956 843910151 /nfs/dbraw/zinc/91/01/51/843910151.db2.gz GADRADDXBKCPJR-ZIAGYGMSSA-N 1 1 368.459 0.902 20 5 FCBDMO Cc1ncsc1C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098364956 843910155 /nfs/dbraw/zinc/91/01/55/843910155.db2.gz GADRADDXBKCPJR-ZIAGYGMSSA-N 1 1 368.459 0.902 20 5 FCBDMO Cc1ncsc1C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098364956 843910163 /nfs/dbraw/zinc/91/01/63/843910163.db2.gz GADRADDXBKCPJR-ZIAGYGMSSA-N 1 1 368.459 0.902 20 5 FCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@@H+](CCO)CCOCC(F)F)CC1 ZINC001098365705 843911545 /nfs/dbraw/zinc/91/15/45/843911545.db2.gz PVOLMVLSSSNWHE-CHWSQXEVSA-N 1 1 365.377 0.219 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@H+](CCO)CCOCC(F)F)CC1 ZINC001098365705 843911552 /nfs/dbraw/zinc/91/15/52/843911552.db2.gz PVOLMVLSSSNWHE-CHWSQXEVSA-N 1 1 365.377 0.219 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@@H+](CCO)CCOCC(F)F)CC1 ZINC001098365705 843911560 /nfs/dbraw/zinc/91/15/60/843911560.db2.gz PVOLMVLSSSNWHE-CHWSQXEVSA-N 1 1 365.377 0.219 20 5 FCBDMO O=C(NCC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1)C1CC1 ZINC001115530781 846561391 /nfs/dbraw/zinc/56/13/91/846561391.db2.gz QZUQDXVANCNLNW-ZIAGYGMSSA-N 1 1 352.435 0.587 20 5 FCBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccc(F)cc1Cl ZINC001126936632 848713266 /nfs/dbraw/zinc/71/32/66/848713266.db2.gz NEIVYTBJIGMKNT-BXKDBHETSA-N 1 1 358.757 0.789 20 5 FCBDMO COc1ccc(Cl)cc1NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126943746 848714881 /nfs/dbraw/zinc/71/48/81/848714881.db2.gz WFNDJADBFIESOX-ZYHUDNBSSA-N 1 1 370.793 0.658 20 5 FCBDMO CC(C)(C)c1ccc(C(=O)NC[C@]2(CO)COCC[NH2+]2)cc1[N+](=O)[O-] ZINC001151816643 849695445 /nfs/dbraw/zinc/69/54/45/849695445.db2.gz CWMBRZMIKHFDGW-KRWDZBQOSA-N 1 1 351.403 0.973 20 5 FCBDMO CCOC(=O)C(C(=O)OCC)c1nc(NOCC[NH3+])ccc1[N+](=O)[O-] ZINC001156293744 849901058 /nfs/dbraw/zinc/90/10/58/849901058.db2.gz PJPRJOPJBBNKCW-UHFFFAOYSA-N 1 1 356.335 0.502 20 5 FCBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCc1cccc(Cl)c1 ZINC001157774797 849993802 /nfs/dbraw/zinc/99/38/02/849993802.db2.gz AOXMBELNGKSCPG-ZIAGYGMSSA-N 1 1 368.821 0.717 20 5 FCBDMO COc1ncnc(N2CCN(CC3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC001157837951 849999797 /nfs/dbraw/zinc/99/97/97/849999797.db2.gz KNAYGWSXMOFTHO-UHFFFAOYSA-N 1 1 350.423 0.857 20 5 FCBDMO O=C1C[NH2+]CCN1CCNc1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001161024148 850222946 /nfs/dbraw/zinc/22/29/46/850222946.db2.gz GYHCDVDJGYCEBW-UHFFFAOYSA-N 1 1 368.703 0.901 20 5 FCBDMO COC(=O)c1nc(Cl)nc(N2CCC(F)(F)[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001164319645 850406346 /nfs/dbraw/zinc/40/63/46/850406346.db2.gz LLVJRVJPRINSGA-YFKPBYRVSA-N 1 1 351.697 0.998 20 5 FCBDMO CC(C)n1cc(C[NH2+]CC2(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC001164490636 850413837 /nfs/dbraw/zinc/41/38/37/850413837.db2.gz OSRPOHQEYWQQMI-ZIAGYGMSSA-N 1 1 350.423 0.900 20 5 FCBDMO CCN1C[C@@]23C[N@H+]([C@@H]4CC[C@@H](C[N+](=O)[O-])C4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001169017973 850601936 /nfs/dbraw/zinc/60/19/36/850601936.db2.gz BCSFSFZKRWQIML-ZSAUSMIDSA-N 1 1 359.448 0.309 20 5 FCBDMO Cc1csc(=O)n1CC[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205230827 853600738 /nfs/dbraw/zinc/60/07/38/853600738.db2.gz VFXMWVVOVXPJPD-ZIAGYGMSSA-N 1 1 368.459 0.712 20 5 FCBDMO Cc1nc(C)n(CC[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001205224128 853601273 /nfs/dbraw/zinc/60/12/73/853601273.db2.gz OBCJOTAEHOPRTJ-HUUCEWRRSA-N 1 1 350.423 0.388 20 5 FCBDMO CC(C)(C)CNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001223114458 856897764 /nfs/dbraw/zinc/89/77/64/856897764.db2.gz LXGVBNSUDPPKCP-ZIAGYGMSSA-N 1 1 354.451 0.642 20 5 FCBDMO COc1ccc(NC(=O)CC[N@@H+](C)CCNS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC001253338765 857881914 /nfs/dbraw/zinc/88/19/14/857881914.db2.gz XWRQBQFQLOPXFJ-UHFFFAOYSA-N 1 1 374.419 0.413 20 5 FCBDMO COc1cc(N2CCC([N@H+]3C[C@@H](O)[C@H](CO)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093092 858053135 /nfs/dbraw/zinc/05/31/35/858053135.db2.gz GIVIMBAJDACOMM-BLLLJJGKSA-N 1 1 351.403 0.857 20 5 FCBDMO O=[N+]([O-])c1cnc2c(Cl)cccc2c1NC[C@]1(CO)COCC[NH2+]1 ZINC001307201862 866648107 /nfs/dbraw/zinc/64/81/07/866648107.db2.gz YVIGPXGOUCZJNX-HNNXBMFYSA-N 1 1 352.778 0.981 20 5 FCBDMO C[N@@H+]1CC[C@H]1CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC001307214488 866649009 /nfs/dbraw/zinc/64/90/09/866649009.db2.gz HAYYMWGNEISLJX-LBPRGKRZSA-N 1 1 370.431 0.732 20 5 FCBDMO C[N@H+]1CC[C@H]1CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC001307214488 866649021 /nfs/dbraw/zinc/64/90/21/866649021.db2.gz HAYYMWGNEISLJX-LBPRGKRZSA-N 1 1 370.431 0.732 20 5 FCBDMO Cc1nnc(CC[N@H+](C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC001307871270 866680346 /nfs/dbraw/zinc/68/03/46/866680346.db2.gz AIIKRFGLNPLPAZ-UHFFFAOYSA-N 1 1 369.403 0.739 20 5 FCBDMO Cc1nnc(CC[N@@H+](C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC001307871270 866680357 /nfs/dbraw/zinc/68/03/57/866680357.db2.gz AIIKRFGLNPLPAZ-UHFFFAOYSA-N 1 1 369.403 0.739 20 5 FCBDMO NC(=O)[C@@H]1C[NH+](Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1C(N)=O ZINC001307927210 866684582 /nfs/dbraw/zinc/68/45/82/866684582.db2.gz AAHYZUVDXJRJGB-NXEZZACHSA-N 1 1 371.191 0.376 20 5 FCBDMO NS(=O)(=O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001308009655 866689917 /nfs/dbraw/zinc/68/99/17/866689917.db2.gz UIOTXAIMMLSNIY-STQMWFEESA-N 1 1 373.431 0.478 20 5 FCBDMO NS(=O)(=O)C[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001308009655 866689920 /nfs/dbraw/zinc/68/99/20/866689920.db2.gz UIOTXAIMMLSNIY-STQMWFEESA-N 1 1 373.431 0.478 20 5 FCBDMO C[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC001356584408 868029588 /nfs/dbraw/zinc/02/95/88/868029588.db2.gz OKRZFIPWFUPSMN-CABCVRRESA-N 1 1 352.435 0.560 20 5 FCBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001347496617 872359913 /nfs/dbraw/zinc/35/99/13/872359913.db2.gz KBRNNDCSOMCPGQ-LBPRGKRZSA-N 1 1 366.443 0.966 20 5 FCBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)n1 ZINC000823648439 946462871 /nfs/dbraw/zinc/46/28/71/946462871.db2.gz XBBWJNJNPVQVPV-UHFFFAOYSA-N 1 1 370.377 0.189 20 5 FCBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000295336645 214291322 /nfs/dbraw/zinc/29/13/22/214291322.db2.gz QQQHQDBRWRJRRP-NSHDSACASA-N 1 1 361.395 0.859 20 5 FCBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000295336645 214291326 /nfs/dbraw/zinc/29/13/26/214291326.db2.gz QQQHQDBRWRJRRP-NSHDSACASA-N 1 1 361.395 0.859 20 5 FCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000295296038 214289890 /nfs/dbraw/zinc/28/98/90/214289890.db2.gz UUBFLUCBQXACNU-MEDUHNTESA-N 1 1 352.366 0.873 20 5 FCBDMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000295619437 214308754 /nfs/dbraw/zinc/30/87/54/214308754.db2.gz YNDIPEMFOQDPTF-LBPRGKRZSA-N 1 1 365.386 0.943 20 5 FCBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+](CC)CCO ZINC000291323690 214027210 /nfs/dbraw/zinc/02/72/10/214027210.db2.gz OZMIOHDGJPLPBE-UHFFFAOYSA-N 1 1 352.391 0.526 20 5 FCBDMO Cc1c(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000265689884 210198367 /nfs/dbraw/zinc/19/83/67/210198367.db2.gz FSYGPBBYYLKPAJ-GFCCVEGCSA-N 1 1 364.402 0.926 20 5 FCBDMO Cc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000265676464 210195706 /nfs/dbraw/zinc/19/57/06/210195706.db2.gz ATSHMWLSLYFTRX-LBPRGKRZSA-N 1 1 364.402 0.926 20 5 FCBDMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000265449901 210139438 /nfs/dbraw/zinc/13/94/38/210139438.db2.gz KIRSUPUJMCIZAJ-CQSZACIVSA-N 1 1 373.417 0.513 20 5 FCBDMO COc1ccc(S(=O)(=O)NCc2c[nH+]c(N(C)C)n2C)c([N+](=O)[O-])c1 ZINC000265085642 210051583 /nfs/dbraw/zinc/05/15/83/210051583.db2.gz KTOIJHPOHGKYDI-UHFFFAOYSA-N 1 1 369.403 0.881 20 5 FCBDMO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000265073374 210048552 /nfs/dbraw/zinc/04/85/52/210048552.db2.gz XEIMLXQQNWSCID-SNVBAGLBSA-N 1 1 356.404 0.194 20 5 FCBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000265073374 210048555 /nfs/dbraw/zinc/04/85/55/210048555.db2.gz XEIMLXQQNWSCID-SNVBAGLBSA-N 1 1 356.404 0.194 20 5 FCBDMO CN(C)c1[nH+]cc(CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)n1C ZINC000265045859 210044557 /nfs/dbraw/zinc/04/45/57/210044557.db2.gz AOYMVBHFRHUBTN-UHFFFAOYSA-N 1 1 370.373 0.905 20 5 FCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000332106086 215093263 /nfs/dbraw/zinc/09/32/63/215093263.db2.gz DHFCQSYLVKEGNZ-GFCCVEGCSA-N 1 1 359.386 0.824 20 5 FCBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000264935853 210018885 /nfs/dbraw/zinc/01/88/85/210018885.db2.gz UKWVFUFNIYADJP-CQSZACIVSA-N 1 1 365.434 0.146 20 5 FCBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000285760914 213391610 /nfs/dbraw/zinc/39/16/10/213391610.db2.gz LZGIYYOMNCURNF-LSDHHAIUSA-N 1 1 362.386 0.256 20 5 FCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000368679253 216279704 /nfs/dbraw/zinc/27/97/04/216279704.db2.gz ANMQSSAUXIEUEW-CYBMUJFWSA-N 1 1 370.431 0.985 20 5 FCBDMO CCc1[nH]nc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000369143244 216353307 /nfs/dbraw/zinc/35/33/07/216353307.db2.gz JKHFBJFKMJVBQZ-GFCCVEGCSA-N 1 1 364.406 0.435 20 5 FCBDMO CCc1n[nH]c(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000369143244 216353308 /nfs/dbraw/zinc/35/33/08/216353308.db2.gz JKHFBJFKMJVBQZ-GFCCVEGCSA-N 1 1 364.406 0.435 20 5 FCBDMO CCc1n[nH]c(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000369143244 216353309 /nfs/dbraw/zinc/35/33/09/216353309.db2.gz JKHFBJFKMJVBQZ-GFCCVEGCSA-N 1 1 364.406 0.435 20 5 FCBDMO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000369258476 216372501 /nfs/dbraw/zinc/37/25/01/216372501.db2.gz WDQCJRIDPVLELM-LLVKDONJSA-N 1 1 350.423 0.779 20 5 FCBDMO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000369258476 216372504 /nfs/dbraw/zinc/37/25/04/216372504.db2.gz WDQCJRIDPVLELM-LLVKDONJSA-N 1 1 350.423 0.779 20 5 FCBDMO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000189721288 209258399 /nfs/dbraw/zinc/25/83/99/209258399.db2.gz DTSRPSUEJZYJKE-LBPRGKRZSA-N 1 1 360.374 0.314 20 5 FCBDMO O=[N+]([O-])c1ccc(CCS(=O)(=O)NCC[N@@H+]2CCCOCC2)cc1 ZINC000189093626 209244024 /nfs/dbraw/zinc/24/40/24/209244024.db2.gz SSZNMMWEXBYXKU-UHFFFAOYSA-N 1 1 357.432 0.779 20 5 FCBDMO O=[N+]([O-])c1ccc(CCS(=O)(=O)NCC[N@H+]2CCCOCC2)cc1 ZINC000189093626 209244027 /nfs/dbraw/zinc/24/40/27/209244027.db2.gz SSZNMMWEXBYXKU-UHFFFAOYSA-N 1 1 357.432 0.779 20 5 FCBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000188424995 209230065 /nfs/dbraw/zinc/23/00/65/209230065.db2.gz QUBAWHVDBFHDQH-OAHLLOKOSA-N 1 1 361.402 0.556 20 5 FCBDMO C[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CCO ZINC000187255843 209208460 /nfs/dbraw/zinc/20/84/60/209208460.db2.gz ARETXZWVCLATQJ-NSHDSACASA-N 1 1 360.370 0.575 20 5 FCBDMO C[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCO ZINC000187255843 209208465 /nfs/dbraw/zinc/20/84/65/209208465.db2.gz ARETXZWVCLATQJ-NSHDSACASA-N 1 1 360.370 0.575 20 5 FCBDMO Cc1cc(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c(N)c([N+](=O)[O-])c1 ZINC000186601268 209191879 /nfs/dbraw/zinc/19/18/79/209191879.db2.gz XPWOMNHKYRDONT-GFCCVEGCSA-N 1 1 361.402 0.522 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000276134401 212169376 /nfs/dbraw/zinc/16/93/76/212169376.db2.gz BAWGUGMWZNNYCE-NWDGAFQWSA-N 1 1 355.391 0.996 20 5 FCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000276057572 212149369 /nfs/dbraw/zinc/14/93/69/212149369.db2.gz JZVMXHCIOFVRPO-AWEZNQCLSA-N 1 1 363.418 0.613 20 5 FCBDMO C[C@@H]1CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC[N@H+]1CC(C)(C)O ZINC000275430155 212026858 /nfs/dbraw/zinc/02/68/58/212026858.db2.gz DWXRPDOTZCHVOJ-LLVKDONJSA-N 1 1 372.447 0.524 20 5 FCBDMO NS(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000373254190 217000606 /nfs/dbraw/zinc/00/06/06/217000606.db2.gz XSPURCCWSRWHCO-NEPJUHHUSA-N 1 1 359.404 0.087 20 5 FCBDMO NS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000373254190 217000607 /nfs/dbraw/zinc/00/06/07/217000607.db2.gz XSPURCCWSRWHCO-NEPJUHHUSA-N 1 1 359.404 0.087 20 5 FCBDMO CNS(=O)(=O)c1ccc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000275400616 212019957 /nfs/dbraw/zinc/01/99/57/212019957.db2.gz RFMZHRSSMUDUFA-RYUDHWBXSA-N 1 1 372.447 0.394 20 5 FCBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000184437055 209163357 /nfs/dbraw/zinc/16/33/57/209163357.db2.gz MCGGXPWXNSEDMD-CYBMUJFWSA-N 1 1 362.434 0.814 20 5 FCBDMO C[C@@H](CO)[N@H+]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000375500308 217275433 /nfs/dbraw/zinc/27/54/33/217275433.db2.gz XPQPULHYMVMNDQ-GOEBONIOSA-N 1 1 353.419 0.723 20 5 FCBDMO C[C@@H](CO)N1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000375500308 217275437 /nfs/dbraw/zinc/27/54/37/217275437.db2.gz XPQPULHYMVMNDQ-GOEBONIOSA-N 1 1 353.419 0.723 20 5 FCBDMO C[C@@H](CO)N1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000375500308 217275441 /nfs/dbraw/zinc/27/54/41/217275441.db2.gz XPQPULHYMVMNDQ-GOEBONIOSA-N 1 1 353.419 0.723 20 5 FCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]CC2)c(Br)c1 ZINC000440341551 248174128 /nfs/dbraw/zinc/17/41/28/248174128.db2.gz KHGAASLRTLUFKR-UHFFFAOYSA-N 1 1 350.194 0.951 20 5 FCBDMO COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440505554 248191822 /nfs/dbraw/zinc/19/18/22/248191822.db2.gz YYPKNUOVNFOLMY-GFCCVEGCSA-N 1 1 365.390 0.498 20 5 FCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000440517848 248194241 /nfs/dbraw/zinc/19/42/41/248194241.db2.gz UBEPREZTAHEEAS-GOSISDBHSA-N 1 1 373.413 0.935 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 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CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000281677522 489097323 /nfs/dbraw/zinc/09/73/23/489097323.db2.gz MMQRDPLTTLEVLP-LLVKDONJSA-N 1 1 350.375 1.000 20 5 FCBDMO C[N@H+]1CCN(CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000330402052 489098301 /nfs/dbraw/zinc/09/83/01/489098301.db2.gz FVDMZIRCLXYOND-UHFFFAOYSA-N 1 1 352.439 0.669 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000281832080 489109747 /nfs/dbraw/zinc/10/97/47/489109747.db2.gz SEWKIMICJLBMST-UHFFFAOYSA-N 1 1 352.439 0.632 20 5 FCBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000290249446 489124560 /nfs/dbraw/zinc/12/45/60/489124560.db2.gz MXEKOIYZOSGDSH-AWEZNQCLSA-N 1 1 363.418 0.458 20 5 FCBDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2c(C)c([N+](=O)[O-])ccc2F)C1 ZINC000282592579 489177363 /nfs/dbraw/zinc/17/73/63/489177363.db2.gz TZCFEUGZFTZJRD-NSHDSACASA-N 1 1 368.365 0.818 20 5 FCBDMO CCC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CC(=O)N(C)C1=O 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QDWMJDZKDBHGMJ-UHFFFAOYSA-N 1 1 366.422 0.194 20 5 FCBDMO NS(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000370250825 489335134 /nfs/dbraw/zinc/33/51/34/489335134.db2.gz IKFAZMIGBXGOED-OCCSQVGLSA-N 1 1 359.404 0.087 20 5 FCBDMO NS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000370250825 489335135 /nfs/dbraw/zinc/33/51/35/489335135.db2.gz IKFAZMIGBXGOED-OCCSQVGLSA-N 1 1 359.404 0.087 20 5 FCBDMO CN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370838437 489409121 /nfs/dbraw/zinc/40/91/21/489409121.db2.gz GEUIQHXJKAYONZ-HNNXBMFYSA-N 1 1 364.450 0.808 20 5 FCBDMO CN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370838437 489409124 /nfs/dbraw/zinc/40/91/24/489409124.db2.gz GEUIQHXJKAYONZ-HNNXBMFYSA-N 1 1 364.450 0.808 20 5 FCBDMO C[N@H+]1CCC[C@@H]1CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000299238137 489422547 /nfs/dbraw/zinc/42/25/47/489422547.db2.gz AOIVMBGNRJIJIV-LLVKDONJSA-N 1 1 352.416 0.996 20 5 FCBDMO Cc1cc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)nn1C ZINC000414295588 489495562 /nfs/dbraw/zinc/49/55/62/489495562.db2.gz FQRWDNVQDZZWFU-UHFFFAOYSA-N 1 1 353.404 0.705 20 5 FCBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]21 ZINC000451872459 489527467 /nfs/dbraw/zinc/52/74/67/489527467.db2.gz UBNRKHZORIVHTA-PWSUYJOCSA-N 1 1 369.399 0.691 20 5 FCBDMO Cc1c(NC(=O)CC[N@@H+]2CCOC[C@@H]2CC(N)=O)cccc1[N+](=O)[O-] ZINC000452089171 489544171 /nfs/dbraw/zinc/54/41/71/489544171.db2.gz SOWJEZFEMUJKAE-LBPRGKRZSA-N 1 1 350.375 0.808 20 5 FCBDMO Cc1c(NC(=O)CC[N@H+]2CCOC[C@@H]2CC(N)=O)cccc1[N+](=O)[O-] ZINC000452089171 489544175 /nfs/dbraw/zinc/54/41/75/489544175.db2.gz SOWJEZFEMUJKAE-LBPRGKRZSA-N 1 1 350.375 0.808 20 5 FCBDMO Cc1c(NC(=O)CC[N@@H+]2CCOC[C@H]2CC(N)=O)cccc1[N+](=O)[O-] ZINC000452089169 489544479 /nfs/dbraw/zinc/54/44/79/489544479.db2.gz SOWJEZFEMUJKAE-GFCCVEGCSA-N 1 1 350.375 0.808 20 5 FCBDMO Cc1c(NC(=O)CC[N@H+]2CCOC[C@H]2CC(N)=O)cccc1[N+](=O)[O-] ZINC000452089169 489544481 /nfs/dbraw/zinc/54/44/81/489544481.db2.gz SOWJEZFEMUJKAE-GFCCVEGCSA-N 1 1 350.375 0.808 20 5 FCBDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000372155454 489552861 /nfs/dbraw/zinc/55/28/61/489552861.db2.gz KGPLSVCHLSRUOQ-LLVKDONJSA-N 1 1 356.404 0.547 20 5 FCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C[C@@H]21 ZINC000456176697 489608980 /nfs/dbraw/zinc/60/89/80/489608980.db2.gz YPMKXKPNEBZBST-MFKMUULPSA-N 1 1 358.354 0.353 20 5 FCBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000457061384 489634172 /nfs/dbraw/zinc/63/41/72/489634172.db2.gz UCVIVKMNTFTDBB-UHFFFAOYSA-N 1 1 370.431 0.846 20 5 FCBDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000457128484 489637361 /nfs/dbraw/zinc/63/73/61/489637361.db2.gz UWYDXWVOZODNDU-OAHLLOKOSA-N 1 1 363.418 0.748 20 5 FCBDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000457128484 489637363 /nfs/dbraw/zinc/63/73/63/489637363.db2.gz UWYDXWVOZODNDU-OAHLLOKOSA-N 1 1 363.418 0.748 20 5 FCBDMO C[C@H](C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000555736812 491269614 /nfs/dbraw/zinc/26/96/14/491269614.db2.gz NJGXHYHCXSUSSK-SUMWQHHRSA-N 1 1 351.403 0.898 20 5 FCBDMO C[C@](O)(CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C[NH+]1CCOCC1 ZINC000489885217 489733551 /nfs/dbraw/zinc/73/35/51/489733551.db2.gz MXZUPPFPTWPIDX-INIZCTEOSA-N 1 1 367.358 0.137 20 5 FCBDMO COC[C@H](C)OC[C@@H](O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459515190 489735337 /nfs/dbraw/zinc/73/53/37/489735337.db2.gz UACRVBJOWXAPBE-KBPBESRZSA-N 1 1 354.407 0.524 20 5 FCBDMO CN(CC[N@@H+](C)C1CC1)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000474560003 489769083 /nfs/dbraw/zinc/76/90/83/489769083.db2.gz REDYYNQOWRFPMZ-UHFFFAOYSA-N 1 1 363.418 0.947 20 5 FCBDMO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1N1CCN(C)CC1 ZINC000490653767 489779292 /nfs/dbraw/zinc/77/92/92/489779292.db2.gz YIOFEHCADNPRPT-DJIMGWMZSA-N 1 1 366.466 0.110 20 5 FCBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1N1CCN(C)CC1 ZINC000490653767 489779296 /nfs/dbraw/zinc/77/92/96/489779296.db2.gz YIOFEHCADNPRPT-DJIMGWMZSA-N 1 1 366.466 0.110 20 5 FCBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000476351692 489882153 /nfs/dbraw/zinc/88/21/53/489882153.db2.gz FKAGPXFPYRYNDJ-OKILXGFUSA-N 1 1 364.450 0.959 20 5 FCBDMO C[NH2+]C[C@H](C)CNc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000420189045 489945976 /nfs/dbraw/zinc/94/59/76/489945976.db2.gz FSUKSGSOPUPQOD-LBPRGKRZSA-N 1 1 373.479 0.702 20 5 FCBDMO O=C1C[C@]2(CN1)CCC[N@@H+]([C@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000462274244 489965103 /nfs/dbraw/zinc/96/51/03/489965103.db2.gz DHCBPGXMOVUORE-KSSFIOAISA-N 1 1 372.381 0.829 20 5 FCBDMO O=C1C[C@]2(CN1)CCC[N@H+]([C@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000462274244 489965105 /nfs/dbraw/zinc/96/51/05/489965105.db2.gz DHCBPGXMOVUORE-KSSFIOAISA-N 1 1 372.381 0.829 20 5 FCBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434997733 489972762 /nfs/dbraw/zinc/97/27/62/489972762.db2.gz WTTSFOJLMQQXCV-XJKSGUPXSA-N 1 1 366.418 0.547 20 5 FCBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434997733 489972764 /nfs/dbraw/zinc/97/27/64/489972764.db2.gz WTTSFOJLMQQXCV-XJKSGUPXSA-N 1 1 366.418 0.547 20 5 FCBDMO CNc1c(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000462984137 489998990 /nfs/dbraw/zinc/99/89/90/489998990.db2.gz AMDVGOBGVYXKMG-LBPRGKRZSA-N 1 1 363.418 0.954 20 5 FCBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420604055 490001536 /nfs/dbraw/zinc/00/15/36/490001536.db2.gz QVYUBPVIBJPNGB-CQSZACIVSA-N 1 1 361.402 0.437 20 5 FCBDMO CCNC(=O)CC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420997796 490041412 /nfs/dbraw/zinc/04/14/12/490041412.db2.gz BGVBJGYUZWMZBL-UHFFFAOYSA-N 1 1 358.420 0.331 20 5 FCBDMO 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O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000556354520 491310657 /nfs/dbraw/zinc/31/06/57/491310657.db2.gz PTCNJGHVUIPBDA-LBPRGKRZSA-N 1 1 365.386 0.943 20 5 FCBDMO CCn1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])n1 ZINC000533633559 490270114 /nfs/dbraw/zinc/27/01/14/490270114.db2.gz YSSQHFQDMZVTBT-NWDGAFQWSA-N 1 1 357.436 0.916 20 5 FCBDMO C[C@](O)(CNC(=O)COc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000467505272 490303791 /nfs/dbraw/zinc/30/37/91/490303791.db2.gz VYHQOEKGOJKMIZ-INIZCTEOSA-N 1 1 353.375 0.173 20 5 FCBDMO Cc1c(NC(=O)CC[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000556571816 491320743 /nfs/dbraw/zinc/32/07/43/491320743.db2.gz WDYRTEHEGUBZDZ-ZDUSSCGKSA-N 1 1 361.358 0.468 20 5 FCBDMO Cc1c(NC(=O)CC[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000556571816 491320745 /nfs/dbraw/zinc/32/07/45/491320745.db2.gz WDYRTEHEGUBZDZ-ZDUSSCGKSA-N 1 1 361.358 0.468 20 5 FCBDMO CNc1nc(C(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000413894512 490505737 /nfs/dbraw/zinc/50/57/37/490505737.db2.gz ONCJKIQRCUZJML-SNVBAGLBSA-N 1 1 351.363 0.208 20 5 FCBDMO CNc1nc(C(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000413894512 490505738 /nfs/dbraw/zinc/50/57/38/490505738.db2.gz ONCJKIQRCUZJML-SNVBAGLBSA-N 1 1 351.363 0.208 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413903862 490509640 /nfs/dbraw/zinc/50/96/40/490509640.db2.gz OTWRDWOXPVVEPK-JTQLQIEISA-N 1 1 353.379 0.618 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413903862 490509644 /nfs/dbraw/zinc/50/96/44/490509644.db2.gz OTWRDWOXPVVEPK-JTQLQIEISA-N 1 1 353.379 0.618 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413903862 490509646 /nfs/dbraw/zinc/50/96/46/490509646.db2.gz OTWRDWOXPVVEPK-JTQLQIEISA-N 1 1 353.379 0.618 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413903862 490509649 /nfs/dbraw/zinc/50/96/49/490509649.db2.gz OTWRDWOXPVVEPK-JTQLQIEISA-N 1 1 353.379 0.618 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000413928672 490524035 /nfs/dbraw/zinc/52/40/35/490524035.db2.gz YXCWQXTWIOWCBI-LBPRGKRZSA-N 1 1 351.359 0.780 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000413928672 490524041 /nfs/dbraw/zinc/52/40/41/490524041.db2.gz YXCWQXTWIOWCBI-LBPRGKRZSA-N 1 1 351.359 0.780 20 5 FCBDMO CNc1ccc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000524419866 490536674 /nfs/dbraw/zinc/53/66/74/490536674.db2.gz DTKAAQHUQPXMIK-CYBMUJFWSA-N 1 1 363.418 0.954 20 5 FCBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000485625008 490549342 /nfs/dbraw/zinc/54/93/42/490549342.db2.gz IKZIEUCUNVYJFU-AWEZNQCLSA-N 1 1 363.418 0.850 20 5 FCBDMO C[C@@H]1CC[N@@H+](CCNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000524775653 490558917 /nfs/dbraw/zinc/55/89/17/490558917.db2.gz LUAWSQGJQCLQHS-CYBMUJFWSA-N 1 1 363.418 0.852 20 5 FCBDMO O=C(NCCCCN1CC[NH+](CCO)CC1)c1csc([N+](=O)[O-])c1 ZINC000536176385 490559764 /nfs/dbraw/zinc/55/97/64/490559764.db2.gz HAGMRTJQNKVGFS-UHFFFAOYSA-N 1 1 356.448 0.776 20 5 FCBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501031212 490570237 /nfs/dbraw/zinc/57/02/37/490570237.db2.gz XQOLEOPHPDXOCF-LBPRGKRZSA-N 1 1 370.431 0.937 20 5 FCBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501031210 490570355 /nfs/dbraw/zinc/57/03/55/490570355.db2.gz XQOLEOPHPDXOCF-GFCCVEGCSA-N 1 1 370.431 0.937 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000511431695 490595377 /nfs/dbraw/zinc/59/53/77/490595377.db2.gz XMLSIBDPJCYCGP-CYBMUJFWSA-N 1 1 373.373 0.275 20 5 FCBDMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000511431695 490595381 /nfs/dbraw/zinc/59/53/81/490595381.db2.gz XMLSIBDPJCYCGP-CYBMUJFWSA-N 1 1 373.373 0.275 20 5 FCBDMO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536858970 490618788 /nfs/dbraw/zinc/61/87/88/490618788.db2.gz PTMFECLNRNMKQQ-DOMZBBRYSA-N 1 1 356.448 0.803 20 5 FCBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536858970 490618795 /nfs/dbraw/zinc/61/87/95/490618795.db2.gz PTMFECLNRNMKQQ-DOMZBBRYSA-N 1 1 356.448 0.803 20 5 FCBDMO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536858970 490618801 /nfs/dbraw/zinc/61/88/01/490618801.db2.gz PTMFECLNRNMKQQ-DOMZBBRYSA-N 1 1 356.448 0.803 20 5 FCBDMO Cn1ccnc1[C@@H]([NH2+]CCCNS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000514084301 490761918 /nfs/dbraw/zinc/76/19/18/490761918.db2.gz PHZKXXBGPKIRJE-AWEZNQCLSA-N 1 1 367.431 0.947 20 5 FCBDMO C[NH+](C)CC(=O)Nc1ccc(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000515054849 490805718 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/nfs/dbraw/zinc/86/48/65/491864865.db2.gz GLKZKHKXJBOTBZ-UHFFFAOYSA-N 1 1 372.447 0.544 20 5 FCBDMO CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000594843739 491865119 /nfs/dbraw/zinc/86/51/19/491865119.db2.gz PWEVNVFMMCOHKF-UHFFFAOYSA-N 1 1 358.420 0.235 20 5 FCBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595383262 491926414 /nfs/dbraw/zinc/92/64/14/491926414.db2.gz BIDOQECIOHFVNF-CYBMUJFWSA-N 1 1 355.416 0.815 20 5 FCBDMO COc1cc(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000602194588 491966747 /nfs/dbraw/zinc/96/67/47/491966747.db2.gz JKCYMKPBORDDOY-UHFFFAOYSA-N 1 1 350.375 0.449 20 5 FCBDMO C[C@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000596220866 491979969 /nfs/dbraw/zinc/97/99/69/491979969.db2.gz DYMKXHNIYMODOL-NSHDSACASA-N 1 1 372.447 0.524 20 5 FCBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000603819911 492042844 /nfs/dbraw/zinc/04/28/44/492042844.db2.gz CANQATSUHLBKFV-UHFFFAOYSA-N 1 1 366.443 0.919 20 5 FCBDMO C[N@H+]1CCCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000604432625 492060876 /nfs/dbraw/zinc/06/08/76/492060876.db2.gz DWPANTRJFKTCKT-UHFFFAOYSA-N 1 1 370.431 0.427 20 5 FCBDMO C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC000604561121 492063326 /nfs/dbraw/zinc/06/33/26/492063326.db2.gz XKKMWPAIWNPJDO-CQSZACIVSA-N 1 1 360.370 0.348 20 5 FCBDMO CCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000598341905 492095385 /nfs/dbraw/zinc/09/53/85/492095385.db2.gz IAOMSGCLLYBIRB-CQSZACIVSA-N 1 1 363.418 0.995 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@@H+]1CCCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000598990401 492128693 /nfs/dbraw/zinc/12/86/93/492128693.db2.gz NEOHWVGPGVVRPD-ZDUSSCGKSA-N 1 1 364.402 0.795 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000598990401 492128695 /nfs/dbraw/zinc/12/86/95/492128695.db2.gz NEOHWVGPGVVRPD-ZDUSSCGKSA-N 1 1 364.402 0.795 20 5 FCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)c(C(F)(F)F)c1 ZINC000599104432 492135705 /nfs/dbraw/zinc/13/57/05/492135705.db2.gz AVBRIXURFPPUEH-QMMMGPOBSA-N 1 1 369.321 0.880 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000609113403 492197741 /nfs/dbraw/zinc/19/77/41/492197741.db2.gz KBMJNRLVGXXFDD-JTQLQIEISA-N 1 1 367.381 0.633 20 5 FCBDMO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000609285544 492204084 /nfs/dbraw/zinc/20/40/84/492204084.db2.gz MIXLPTLVEISTBK-GXTWGEPZSA-N 1 1 363.370 0.995 20 5 FCBDMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609668037 492217494 /nfs/dbraw/zinc/21/74/94/492217494.db2.gz DUJYPPDLEXVBRJ-OAHLLOKOSA-N 1 1 366.393 0.870 20 5 FCBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000609664588 492217588 /nfs/dbraw/zinc/21/75/88/492217588.db2.gz AOGGHXAKNVODQD-AWEZNQCLSA-N 1 1 364.450 0.765 20 5 FCBDMO CCC[N@@H+](C)CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609743320 492221228 /nfs/dbraw/zinc/22/12/28/492221228.db2.gz YKAHBDBTALWSGE-UHFFFAOYSA-N 1 1 358.420 0.331 20 5 FCBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@]2(CO)CCOC2)cc1[N+](=O)[O-] ZINC000600179287 492248707 /nfs/dbraw/zinc/24/87/07/492248707.db2.gz XXKLKAGCNNGSBE-INIZCTEOSA-N 1 1 354.359 0.730 20 5 FCBDMO COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000619482209 492265305 /nfs/dbraw/zinc/26/53/05/492265305.db2.gz BSUGFHFVILXVBD-GFCCVEGCSA-N 1 1 373.431 0.993 20 5 FCBDMO COCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000619482209 492265306 /nfs/dbraw/zinc/26/53/06/492265306.db2.gz BSUGFHFVILXVBD-GFCCVEGCSA-N 1 1 373.431 0.993 20 5 FCBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000610913989 492269491 /nfs/dbraw/zinc/26/94/91/492269491.db2.gz IBFQABNFYITXQR-KGYLQXTDSA-N 1 1 368.438 0.663 20 5 FCBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000610913989 492269493 /nfs/dbraw/zinc/26/94/93/492269493.db2.gz IBFQABNFYITXQR-KGYLQXTDSA-N 1 1 368.438 0.663 20 5 FCBDMO CC[N@H+]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000611088165 492277754 /nfs/dbraw/zinc/27/77/54/492277754.db2.gz HPFVYAMRBIIOLZ-GFCCVEGCSA-N 1 1 362.386 0.873 20 5 FCBDMO C[N@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000611521029 492289374 /nfs/dbraw/zinc/28/93/74/492289374.db2.gz BQFSFNNBXTVEME-SWLSCSKDSA-N 1 1 374.397 0.873 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CC(=O)N1CC[NH+](C)CC1 ZINC000611522689 492289421 /nfs/dbraw/zinc/28/94/21/492289421.db2.gz TVYFHCUAGDEVLC-UHFFFAOYSA-N 1 1 363.418 0.548 20 5 FCBDMO C[NH+]1CCN(C(=O)Cn2cc(Nc3ncc([N+](=O)[O-])s3)cn2)CC1 ZINC000443521555 536404625 /nfs/dbraw/zinc/40/46/25/536404625.db2.gz JCRFQPSSRFMBNK-UHFFFAOYSA-N 1 1 351.392 0.765 20 5 FCBDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000592387747 546949377 /nfs/dbraw/zinc/94/93/77/546949377.db2.gz ALBSCLQOXQSCCW-AWEZNQCLSA-N 1 1 371.415 0.304 20 5 FCBDMO CNC(=O)C[NH+]1CCC(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593027172 546962136 /nfs/dbraw/zinc/96/21/36/546962136.db2.gz PSWQNBOWMLJSTO-UHFFFAOYSA-N 1 1 352.366 0.603 20 5 FCBDMO COCCOCC[NH+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000593517459 546969891 /nfs/dbraw/zinc/96/98/91/546969891.db2.gz LKXYTMWFKLOQDL-UHFFFAOYSA-N 1 1 352.391 0.479 20 5 FCBDMO CC[N@@H+]1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000553318542 547328695 /nfs/dbraw/zinc/32/86/95/547328695.db2.gz RZFNJESGIBNERM-JTQLQIEISA-N 1 1 356.404 0.408 20 5 FCBDMO CC[N@H+]1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000553318542 547328699 /nfs/dbraw/zinc/32/86/99/547328699.db2.gz RZFNJESGIBNERM-JTQLQIEISA-N 1 1 356.404 0.408 20 5 FCBDMO CN(CCCN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736864144 598628033 /nfs/dbraw/zinc/62/80/33/598628033.db2.gz PUYIURGWHQNVSA-UHFFFAOYSA-N 1 1 360.422 0.849 20 5 FCBDMO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1[NH+]1CCOCC1 ZINC000820776958 606226209 /nfs/dbraw/zinc/22/62/09/606226209.db2.gz OEPLFNMXSRPOCF-GWCFXTLKSA-N 1 1 360.378 0.327 20 5 FCBDMO O=[N+]([O-])c1cnc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c(-c2nn[nH]n2)c1 ZINC000823652222 606240050 /nfs/dbraw/zinc/24/00/50/606240050.db2.gz WZPHNGZDRBFZCT-ZDUSSCGKSA-N 1 1 374.405 0.861 20 5 FCBDMO C[N@@H+](CCO)CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000899726277 665958566 /nfs/dbraw/zinc/95/85/66/665958566.db2.gz JCTVFOVHXIYWDS-UHFFFAOYSA-N 1 1 350.419 0.852 20 5 FCBDMO CCCn1c(C)nnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983650563 664978112 /nfs/dbraw/zinc/97/81/12/664978112.db2.gz WJKCXCJGEVUSQX-AAVRWANBSA-N 1 1 350.423 0.646 20 5 FCBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cc(CO)ccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983656461 664979960 /nfs/dbraw/zinc/97/99/60/664979960.db2.gz CQYFSKUSAYOKCP-XKVFNRALSA-N 1 1 351.378 0.968 20 5 FCBDMO COc1ccc(CC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000896564055 665094754 /nfs/dbraw/zinc/09/47/54/665094754.db2.gz NNACJRPNNNUFTP-DOMZBBRYSA-N 1 1 350.419 0.896 20 5 FCBDMO COc1ccc(CC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000896564055 665094757 /nfs/dbraw/zinc/09/47/57/665094757.db2.gz NNACJRPNNNUFTP-DOMZBBRYSA-N 1 1 350.419 0.896 20 5 FCBDMO COc1ccc(CC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000896564055 665094758 /nfs/dbraw/zinc/09/47/58/665094758.db2.gz NNACJRPNNNUFTP-DOMZBBRYSA-N 1 1 350.419 0.896 20 5 FCBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)C[C@@]3(O)CCOC3)CC2)cc1 ZINC000905874551 666040419 /nfs/dbraw/zinc/04/04/19/666040419.db2.gz MCRPUAHIMLYFGN-IRXDYDNUSA-N 1 1 351.403 0.619 20 5 FCBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000915359541 666848550 /nfs/dbraw/zinc/84/85/50/666848550.db2.gz SRTWTILRCSUAJU-UHFFFAOYSA-N 1 1 370.431 0.298 20 5 FCBDMO CC(C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000732030948 666851431 /nfs/dbraw/zinc/85/14/31/666851431.db2.gz VBAWGXJBCCRLIQ-UHFFFAOYSA-N 1 1 358.420 0.135 20 5 FCBDMO CS(=O)(=O)c1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000996428430 666921272 /nfs/dbraw/zinc/92/12/72/666921272.db2.gz CNNVDKYIFJUNJB-CHWSQXEVSA-N 1 1 371.415 0.429 20 5 FCBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC[N@@H+](C)CC1 ZINC000734120595 666954480 /nfs/dbraw/zinc/95/44/80/666954480.db2.gz XCCNOUKGXSNXPB-UHFFFAOYSA-N 1 1 351.359 0.959 20 5 FCBDMO CC(C)n1ncnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000997771412 667175133 /nfs/dbraw/zinc/17/51/33/667175133.db2.gz HGOPVPJFDFRINR-ZIAGYGMSSA-N 1 1 350.423 0.852 20 5 FCBDMO C[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000919998963 667216655 /nfs/dbraw/zinc/21/66/55/667216655.db2.gz DEUULOVBEFQLRU-WFASDCNBSA-N 1 1 356.448 0.649 20 5 FCBDMO C[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000919998963 667216657 /nfs/dbraw/zinc/21/66/57/667216657.db2.gz DEUULOVBEFQLRU-WFASDCNBSA-N 1 1 356.448 0.649 20 5 FCBDMO C[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000919998961 667216717 /nfs/dbraw/zinc/21/67/17/667216717.db2.gz DEUULOVBEFQLRU-IUODEOHRSA-N 1 1 356.448 0.649 20 5 FCBDMO C[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000919998961 667216718 /nfs/dbraw/zinc/21/67/18/667216718.db2.gz DEUULOVBEFQLRU-IUODEOHRSA-N 1 1 356.448 0.649 20 5 FCBDMO C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000920022514 667220710 /nfs/dbraw/zinc/22/07/10/667220710.db2.gz XACDNLZGIBFSCI-DOMZBBRYSA-N 1 1 356.448 0.649 20 5 FCBDMO C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000920022514 667220711 /nfs/dbraw/zinc/22/07/11/667220711.db2.gz XACDNLZGIBFSCI-DOMZBBRYSA-N 1 1 356.448 0.649 20 5 FCBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ncnn2CCF)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034643667 667762055 /nfs/dbraw/zinc/76/20/55/667762055.db2.gz QSJWWHWDYOMALW-FDYHWXHSSA-N 1 1 354.386 0.430 20 5 FCBDMO C[N@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000762701796 667926398 /nfs/dbraw/zinc/92/63/98/667926398.db2.gz RNVFMGXDKFOAIV-AWEZNQCLSA-N 1 1 356.766 0.370 20 5 FCBDMO NS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000782523302 668566462 /nfs/dbraw/zinc/56/64/62/668566462.db2.gz RPSNHPBKYPKIIO-SNVBAGLBSA-N 1 1 360.367 0.425 20 5 FCBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830524548 669789869 /nfs/dbraw/zinc/78/98/69/669789869.db2.gz JLQVBSRYUVLQPX-DOMZBBRYSA-N 1 1 351.403 0.932 20 5 FCBDMO C[C@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000830593720 669795490 /nfs/dbraw/zinc/79/54/90/669795490.db2.gz GBGXWUVGVGNHCJ-WFASDCNBSA-N 1 1 351.403 0.932 20 5 FCBDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815034468 669896545 /nfs/dbraw/zinc/89/65/45/669896545.db2.gz PLYVLBKNWJORBX-GFCCVEGCSA-N 1 1 367.786 0.732 20 5 FCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@@H]2C1 ZINC001048814400 675898615 /nfs/dbraw/zinc/89/86/15/675898615.db2.gz JSPMQEPUWQHUKM-ZMJPVWNMSA-N 1 1 353.810 0.592 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@@H]2C1 ZINC001048814400 675898618 /nfs/dbraw/zinc/89/86/18/675898618.db2.gz JSPMQEPUWQHUKM-ZMJPVWNMSA-N 1 1 353.810 0.592 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@@H]2C1 ZINC001048814400 675898623 /nfs/dbraw/zinc/89/86/23/675898623.db2.gz JSPMQEPUWQHUKM-ZMJPVWNMSA-N 1 1 353.810 0.592 20 5 FCBDMO O=C1OCCN1[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000852434141 671506775 /nfs/dbraw/zinc/50/67/75/671506775.db2.gz JTFYQHRIYQVSMR-KBPBESRZSA-N 1 1 351.359 0.861 20 5 FCBDMO NS(=O)(=O)c1ccc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000853241190 671544474 /nfs/dbraw/zinc/54/44/74/671544474.db2.gz JEHOQYULHIIIDS-VXGBXAGGSA-N 1 1 356.404 0.517 20 5 FCBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000122157108 672399808 /nfs/dbraw/zinc/39/98/08/672399808.db2.gz XYLXTUZEMJZPOV-BETUJISGSA-N 1 1 352.391 0.324 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000868865567 672413057 /nfs/dbraw/zinc/41/30/57/672413057.db2.gz KNFNDFFYBZPGGH-GFCCVEGCSA-N 1 1 353.350 0.840 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[NH+](CCN1CCCC1=O)CC2 ZINC001050517362 676085536 /nfs/dbraw/zinc/08/55/36/676085536.db2.gz PXXWFQOQXVTXMO-ZIAGYGMSSA-N 1 1 350.419 0.198 20 5 FCBDMO C[N@@H+](CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2)C1CCC1 ZINC001019121657 675421424 /nfs/dbraw/zinc/42/14/24/675421424.db2.gz FAFNTPPHJMYGGI-ZIAGYGMSSA-N 1 1 350.419 0.197 20 5 FCBDMO C[N@H+](CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2)C1CCC1 ZINC001019121657 675421426 /nfs/dbraw/zinc/42/14/26/675421426.db2.gz FAFNTPPHJMYGGI-ZIAGYGMSSA-N 1 1 350.419 0.197 20 5 FCBDMO C[N@@H+](CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2)C1CCC1 ZINC001019121657 675421429 /nfs/dbraw/zinc/42/14/29/675421429.db2.gz FAFNTPPHJMYGGI-ZIAGYGMSSA-N 1 1 350.419 0.197 20 5 FCBDMO CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](CCCN2CCCC2=O)CC1 ZINC001045437478 675653784 /nfs/dbraw/zinc/65/37/84/675653784.db2.gz TUWSWECAOSKGKS-ZIAGYGMSSA-N 1 1 352.435 0.635 20 5 FCBDMO CN1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+](C)CC1 ZINC000888996732 1168050271 /nfs/dbraw/zinc/05/02/71/1168050271.db2.gz CVTYAHNQCNWFAH-UHFFFAOYSA-N 1 1 364.402 0.685 20 5 FCBDMO CN1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+](C)CC1 ZINC000888996732 1168050272 /nfs/dbraw/zinc/05/02/72/1168050272.db2.gz CVTYAHNQCNWFAH-UHFFFAOYSA-N 1 1 364.402 0.685 20 5 FCBDMO O=C(N[C@H]1C[C@@H]([NH2+]CCn2cnc3ccccc3c2=O)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063770 1170549258 /nfs/dbraw/zinc/54/92/58/1170549258.db2.gz MCTZBLYWOZPDRK-FAXLKDOZSA-N 1 1 371.397 0.299 20 5 FCBDMO CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000978796881 1186009064 /nfs/dbraw/zinc/00/90/64/1186009064.db2.gz VWCBVTIESZCLRX-SLBVQIDZSA-N 1 1 366.462 0.783 20 5 FCBDMO Cc1c(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)ccc2c[nH+]cn21 ZINC000979753120 1186115638 /nfs/dbraw/zinc/11/56/38/1186115638.db2.gz PWYSTXFRQQCXQH-CZPYZCIJSA-N 1 1 371.397 0.933 20 5 FCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](CCCN1CCCC1=O)C2 ZINC000981764153 1186514127 /nfs/dbraw/zinc/51/41/27/1186514127.db2.gz OSYICLHSZZKXAM-HUUCEWRRSA-N 1 1 364.446 0.589 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CCCN1CCCC1=O)C2 ZINC000981764153 1186514131 /nfs/dbraw/zinc/51/41/31/1186514131.db2.gz OSYICLHSZZKXAM-HUUCEWRRSA-N 1 1 364.446 0.589 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](CCCN1CCCC1=O)C2 ZINC000981764153 1186514132 /nfs/dbraw/zinc/51/41/32/1186514132.db2.gz OSYICLHSZZKXAM-HUUCEWRRSA-N 1 1 364.446 0.589 20 5 FCBDMO Cn1c(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nnc1C1CCC1 ZINC000983654523 1188249193 /nfs/dbraw/zinc/24/91/93/1188249193.db2.gz OJOFQLYEWFZQDL-FMKGYKFTSA-N 1 1 362.434 0.732 20 5 FCBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cn(-c3ccccc3)nn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983657665 1188250402 /nfs/dbraw/zinc/25/04/02/1188250402.db2.gz LDOGWERVKTVOJR-BQGCOEIASA-N 1 1 370.413 0.917 20 5 FCBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000894959151 1188340699 /nfs/dbraw/zinc/34/06/99/1188340699.db2.gz UJHTWOVIFKFSTH-UHFFFAOYSA-N 1 1 364.402 0.900 20 5 FCBDMO C[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1C[N@@H+](C)CCN1C ZINC000896570135 1190095617 /nfs/dbraw/zinc/09/56/17/1190095617.db2.gz JVRNDMRAXJWTBY-BLLLJJGKSA-N 1 1 360.418 0.695 20 5 FCBDMO COc1ccc(CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001126943461 1194951435 /nfs/dbraw/zinc/95/14/35/1194951435.db2.gz OWDABOUURPJCRY-HUUCEWRRSA-N 1 1 364.402 0.025 20 5 FCBDMO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906652164 1195642424 /nfs/dbraw/zinc/64/24/24/1195642424.db2.gz XIQVYNSPPHGLGG-LBPRGKRZSA-N 1 1 364.402 0.732 20 5 FCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906652164 1195642426 /nfs/dbraw/zinc/64/24/26/1195642426.db2.gz XIQVYNSPPHGLGG-LBPRGKRZSA-N 1 1 364.402 0.732 20 5 FCBDMO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592424444 1196619820 /nfs/dbraw/zinc/61/98/20/1196619820.db2.gz NUFVJBHXINGBPS-LBPRGKRZSA-N 1 1 364.402 0.653 20 5 FCBDMO C[C@@H]1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[N@H+]1C ZINC000761073431 1196732042 /nfs/dbraw/zinc/73/20/42/1196732042.db2.gz VDWYEPRCDYFBIJ-OAHLLOKOSA-N 1 1 361.446 0.879 20 5 FCBDMO O=C1C[C@@H](N2CC[NH+]([C@@H]3CCOC3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000594660542 1196733836 /nfs/dbraw/zinc/73/38/36/1196733836.db2.gz OHEPRULVYALYLX-HZPDHXFCSA-N 1 1 374.397 0.633 20 5 FCBDMO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593399725 1196781818 /nfs/dbraw/zinc/78/18/18/1196781818.db2.gz MXUWWTYCTXZYBQ-GFCCVEGCSA-N 1 1 360.374 0.432 20 5 FCBDMO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593399725 1196781819 /nfs/dbraw/zinc/78/18/19/1196781819.db2.gz MXUWWTYCTXZYBQ-GFCCVEGCSA-N 1 1 360.374 0.432 20 5 FCBDMO CCCN(CCC)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147508177 1204789649 /nfs/dbraw/zinc/78/96/49/1204789649.db2.gz ULUBESPHWHSDSL-HUUCEWRRSA-N 1 1 366.462 0.835 20 5 FCBDMO CC1(C)CC(C[NH2+]Cc2cn(C3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)nn2)C1 ZINC001093319091 1206075105 /nfs/dbraw/zinc/07/51/05/1206075105.db2.gz VITNWEYPPNKOOY-HUUCEWRRSA-N 1 1 362.434 0.852 20 5 FCBDMO NC(=O)c1cn(C2CC[NH+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)nn1 ZINC000863300224 1209937103 /nfs/dbraw/zinc/93/71/03/1209937103.db2.gz HQPUVBSWSPNOAO-UHFFFAOYSA-N 1 1 370.373 0.930 20 5 FCBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000825972751 1210446453 /nfs/dbraw/zinc/44/64/53/1210446453.db2.gz BTXCKPGPHYXDOV-SJORKVTESA-N 1 1 362.430 0.867 20 5 FCBDMO Cn1cncc1CCC(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000956367002 1213187494 /nfs/dbraw/zinc/18/74/94/1213187494.db2.gz RJPVYGKGIQPZCK-ZIAGYGMSSA-N 1 1 363.418 0.515 20 5 FCBDMO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000795690790 1213273860 /nfs/dbraw/zinc/27/38/60/1213273860.db2.gz KYGNQCCSDRTTSX-TZMCWYRMSA-N 1 1 374.397 0.943 20 5 FCBDMO C[NH+](C)C1(C(=O)N2CC3(C2)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C3)CCC1 ZINC001010703392 1213809719 /nfs/dbraw/zinc/80/97/19/1213809719.db2.gz HLOXQINDEKQJRV-ZIAGYGMSSA-N 1 1 364.446 0.587 20 5 FCBDMO C[NH+]1CCC(C(=O)NC2CC3(CC(NC(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)CC1 ZINC001013998586 1213915724 /nfs/dbraw/zinc/91/57/24/1213915724.db2.gz LQPZSOGJHUBLPM-BSGOTLCWSA-N 1 1 364.446 0.537 20 5 FCBDMO O=C(C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)N1CCCCC1 ZINC000963787134 1214850809 /nfs/dbraw/zinc/85/08/09/1214850809.db2.gz FVGSOMJXAQJMCM-BSGOTLCWSA-N 1 1 364.446 0.681 20 5 FCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000900612551 1218013205 /nfs/dbraw/zinc/01/32/05/1218013205.db2.gz JIMISZYTONCCOO-UHFFFAOYSA-N 1 1 364.406 0.059 20 5 FCBDMO O=C(CO[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC([N+](=O)[O-])([N+](=O)[O-])C1 ZINC001224798432 1225793263 /nfs/dbraw/zinc/79/32/63/1225793263.db2.gz YNAKIQHCJPSQRH-AWEZNQCLSA-N 1 1 364.358 0.369 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801870136 1218168667 /nfs/dbraw/zinc/16/86/67/1218168667.db2.gz QYELJSGXIJZBCZ-JTQLQIEISA-N 1 1 367.381 0.633 20 5 FCBDMO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)O[C@H]1CC[N@H+](CCF)C1 ZINC000802242878 1218218993 /nfs/dbraw/zinc/21/89/93/1218218993.db2.gz SPWKBTRSSDWZDT-LBPRGKRZSA-N 1 1 367.333 0.907 20 5 FCBDMO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802242878 1218218995 /nfs/dbraw/zinc/21/89/95/1218218995.db2.gz SPWKBTRSSDWZDT-LBPRGKRZSA-N 1 1 367.333 0.907 20 5 FCBDMO CCn1nncc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001048525579 1218278676 /nfs/dbraw/zinc/27/86/76/1218278676.db2.gz YJNBRFUYZSUQEL-STGWMILLSA-N 1 1 362.434 0.822 20 5 FCBDMO CCn1nncc1C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001048525579 1218278680 /nfs/dbraw/zinc/27/86/80/1218278680.db2.gz YJNBRFUYZSUQEL-STGWMILLSA-N 1 1 362.434 0.822 20 5 FCBDMO CCn1nncc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001048525579 1218278688 /nfs/dbraw/zinc/27/86/88/1218278688.db2.gz YJNBRFUYZSUQEL-STGWMILLSA-N 1 1 362.434 0.822 20 5 FCBDMO CCn1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)nn1 ZINC001048525475 1218279174 /nfs/dbraw/zinc/27/91/74/1218279174.db2.gz WVPPJQXGPYQJGM-DPZJBDQQSA-N 1 1 362.434 0.822 20 5 FCBDMO CCn1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)nn1 ZINC001048525475 1218279181 /nfs/dbraw/zinc/27/91/81/1218279181.db2.gz WVPPJQXGPYQJGM-DPZJBDQQSA-N 1 1 362.434 0.822 20 5 FCBDMO Cn1nnc2cc(C[N@@H+]3C[C@H]4CN(C(=O)[C@@H]5C[C@H]5[N+](=O)[O-])C[C@H]4C3)ccc21 ZINC001048814564 1218319170 /nfs/dbraw/zinc/31/91/70/1218319170.db2.gz SJPQIPAUJXTDFJ-UMPJEAMMSA-N 1 1 370.413 0.524 20 5 FCBDMO Cn1nnc2cc(C[N@H+]3C[C@H]4CN(C(=O)[C@@H]5CC5[N+](=O)[O-])C[C@H]4C3)ccc21 ZINC001048814564 1218319176 /nfs/dbraw/zinc/31/91/76/1218319176.db2.gz SJPQIPAUJXTDFJ-UMPJEAMMSA-N 1 1 370.413 0.524 20 5 FCBDMO Cn1nnc2cc(C[N@@H+]3C[C@H]4CN(C(=O)[C@@H]5CC5[N+](=O)[O-])C[C@H]4C3)ccc21 ZINC001048814564 1218319183 /nfs/dbraw/zinc/31/91/83/1218319183.db2.gz SJPQIPAUJXTDFJ-UMPJEAMMSA-N 1 1 370.413 0.524 20 5 FCBDMO C[NH+](C)CCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001054497454 1218933573 /nfs/dbraw/zinc/93/35/73/1218933573.db2.gz KDQADDVRHFUQCX-YIDVYQOGSA-N 1 1 366.462 0.879 20 5 FCBDMO O=C(NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1=COCCC1 ZINC001055538479 1219072015 /nfs/dbraw/zinc/07/20/15/1219072015.db2.gz GODPPQJMJLIHOM-HUUCEWRRSA-N 1 1 366.418 0.043 20 5 FCBDMO C/C(=C/C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001055574979 1219083623 /nfs/dbraw/zinc/08/36/23/1219083623.db2.gz GWELAJQJEWIYNX-NLNHSMHESA-N 1 1 364.446 0.705 20 5 FCBDMO CCC[N@@H+](C)CCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001070114241 1219188392 /nfs/dbraw/zinc/18/83/92/1219188392.db2.gz HGTXMKXEFHXVHM-ZIAGYGMSSA-N 1 1 370.450 0.165 20 5 FCBDMO CCC[N@H+](C)CCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070114241 1219188395 /nfs/dbraw/zinc/18/83/95/1219188395.db2.gz HGTXMKXEFHXVHM-ZIAGYGMSSA-N 1 1 370.450 0.165 20 5 FCBDMO CCC[N@@H+](C)CCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070114241 1219188400 /nfs/dbraw/zinc/18/84/00/1219188400.db2.gz HGTXMKXEFHXVHM-ZIAGYGMSSA-N 1 1 370.450 0.165 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CC1(C)CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCO ZINC000781680979 1221090889 /nfs/dbraw/zinc/09/08/89/1221090889.db2.gz CQECHSNTXQAKNU-UHFFFAOYSA-N 1 1 361.402 0.860 20 5 FCBDMO O=C(C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1)NCC1CCC1 ZINC001115530556 1221311504 /nfs/dbraw/zinc/31/15/04/1221311504.db2.gz DFVZCOMBLUWOJY-HUUCEWRRSA-N 1 1 366.462 0.977 20 5 FCBDMO CC(C)NC(=O)NCC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001115530560 1221311754 /nfs/dbraw/zinc/31/17/54/1221311754.db2.gz DIYXLKOIVCAPFT-ZIAGYGMSSA-N 1 1 369.466 0.768 20 5 FCBDMO CCC(C)(C)NC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001121081816 1222146072 /nfs/dbraw/zinc/14/60/72/1222146072.db2.gz TXMHWWAJWKLBHE-DPTAPRKNSA-N 1 1 366.462 0.973 20 5 FCBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000838282299 1222676291 /nfs/dbraw/zinc/67/62/91/1222676291.db2.gz XBPCJHIHHODKMH-DOMZBBRYSA-N 1 1 365.386 0.724 20 5 FCBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)O[C@H]1C[C@@H]([NH+]2CCOCC2)C1 ZINC000838905940 1222694490 /nfs/dbraw/zinc/69/44/90/1222694490.db2.gz GHKNHLUDQBIOOP-GASCZTMLSA-N 1 1 363.370 0.731 20 5 FCBDMO C[C@@H]([NH3+])c1nc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000843215379 1222861420 /nfs/dbraw/zinc/86/14/20/1222861420.db2.gz FDBBAZZNXWWMAX-LLVKDONJSA-N 1 1 360.374 0.889 20 5 FCBDMO COCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](Cc2cnoc2C)CC1 ZINC001162264773 1223211942 /nfs/dbraw/zinc/21/19/42/1223211942.db2.gz WAYUUENVGNMTDP-HUUCEWRRSA-N 1 1 366.418 0.993 20 5 FCBDMO O=C1NCc2c1c([N+](=O)[O-])ccc2NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001163124424 1223227273 /nfs/dbraw/zinc/22/72/73/1223227273.db2.gz NKSYSWKQPWNNML-UHFFFAOYSA-N 1 1 370.369 0.500 20 5 FCBDMO COC(=O)c1ncc([N+](=O)[O-])cc1NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001163124654 1223227382 /nfs/dbraw/zinc/22/73/82/1223227382.db2.gz QLBSXCVUZXRUGD-UHFFFAOYSA-N 1 1 374.357 0.439 20 5 FCBDMO [NH3+]C1(c2nc(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCO4)no2)CC1 ZINC000843218395 1245327483 /nfs/dbraw/zinc/32/74/83/1245327483.db2.gz XPUKBSXBSSMUAU-UHFFFAOYSA-N 1 1 361.314 0.878 20 5 FCBDMO CN1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000888992525 1245448964 /nfs/dbraw/zinc/44/89/64/1245448964.db2.gz OMVVKWQTPVGHDE-UHFFFAOYSA-N 1 1 364.402 0.492 20 5 FCBDMO C[NH+](C)C1(C(=O)N2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)CC2)CCC1 ZINC000944960484 1247695373 /nfs/dbraw/zinc/69/53/73/1247695373.db2.gz JASKMTSRFLHCQA-ZIAGYGMSSA-N 1 1 364.446 0.587 20 5 FCBDMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001328357917 1265538315 /nfs/dbraw/zinc/53/83/15/1265538315.db2.gz ILJCZEOYCQBWEE-ZDUSSCGKSA-N 1 1 364.402 0.690 20 5 FCBDMO CCn1c(CCC[N+](=O)[O-])nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001520721964 1265977275 /nfs/dbraw/zinc/97/72/75/1265977275.db2.gz AJEFCKTYGWZBHG-AWEZNQCLSA-N 1 1 352.439 0.666 20 5 FCBDMO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[NH+](C(COC)COC)CC1 ZINC001520820600 1266010859 /nfs/dbraw/zinc/01/08/59/1266010859.db2.gz NVDABIJPLFIAKD-GFCCVEGCSA-N 1 1 356.427 0.419 20 5 FCBDMO CN(Cc1ccco1)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001200471061 1259415095 /nfs/dbraw/zinc/41/50/95/1259415095.db2.gz CROVBCYYQOHRAR-HUUCEWRRSA-N 1 1 364.402 0.484 20 5 FCBDMO CN(C)C(=O)CN1C(=O)C[C@H]2[C@@H]1CC[N@H+]2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593722 1259889877 /nfs/dbraw/zinc/88/98/77/1259889877.db2.gz AVPXWRBSONKUAB-ULQDDVLXSA-N 1 1 372.425 0.825 20 5 FCBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H](O)CC3(O)CCOCC3)C2)nc1 ZINC001307546413 1263199315 /nfs/dbraw/zinc/19/93/15/1263199315.db2.gz VNPCNZVGWOTKOC-HIFRSBDPSA-N 1 1 366.418 0.769 20 5 FCBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](CO)[C@H]2CO)c([N+](=O)[O-])c1 ZINC001307967596 1263205598 /nfs/dbraw/zinc/20/55/98/1263205598.db2.gz PDEBBYVVGLXNGX-BLLLJJGKSA-N 1 1 367.402 0.997 20 5 FCBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001321646250 1264021269 /nfs/dbraw/zinc/02/12/69/1264021269.db2.gz LYKVJFHXGWGHGJ-HUUCEWRRSA-N 1 1 360.414 0.997 20 5 FCBDMO COc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001321991759 1264124530 /nfs/dbraw/zinc/12/45/30/1264124530.db2.gz NMBGJQRREDLOSD-WCQYABFASA-N 1 1 364.402 0.819 20 5 FCBDMO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001325650775 1264959668 /nfs/dbraw/zinc/95/96/68/1264959668.db2.gz DSKNINHJAMNLJA-ZDUSSCGKSA-N 1 1 360.414 0.854 20 5 FCBDMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001326028825 1265048597 /nfs/dbraw/zinc/04/85/97/1265048597.db2.gz RIWYEEXXZPDVGW-ZDUSSCGKSA-N 1 1 366.418 0.775 20 5 FCBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC001326565068 1265136184 /nfs/dbraw/zinc/13/61/84/1265136184.db2.gz WSOPXURWKLPOAI-UHFFFAOYSA-N 1 1 360.414 0.950 20 5 FCBDMO C[C@@H]1C[C@H](NC(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC001326571945 1265137511 /nfs/dbraw/zinc/13/75/11/1265137511.db2.gz LYKQPFGUKTXHTP-CHWSQXEVSA-N 1 1 364.402 0.689 20 5 FCBDMO CCC[C@H]1CN(c2nnc(CCC[N+](=O)[O-])n2C)CC[N@H+]1CCOC ZINC001341332957 1268940671 /nfs/dbraw/zinc/94/06/71/1268940671.db2.gz UUUNZQPWSIPLFB-AWEZNQCLSA-N 1 1 354.455 0.962 20 5 FCBDMO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001580281860 1278085216 /nfs/dbraw/zinc/08/52/16/1278085216.db2.gz VUQNYDPQAYPJNH-JKSUJKDBSA-N 1 1 350.419 0.948 20 5 FCBDMO CC(C)[N@@H+](C)CC(=O)NCCNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001603318272 1287352890 /nfs/dbraw/zinc/35/28/90/1287352890.db2.gz BWONCKXXIILCRU-UHFFFAOYSA-N 1 1 362.394 0.643 20 5 FCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001582622915 1281822359 /nfs/dbraw/zinc/82/23/59/1281822359.db2.gz QFTZRVUHUKFSSO-QMIVOQANSA-N 1 1 369.385 0.078 20 5 FCBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001582622915 1281822366 /nfs/dbraw/zinc/82/23/66/1281822366.db2.gz QFTZRVUHUKFSSO-QMIVOQANSA-N 1 1 369.385 0.078 20 5 FCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001582622915 1281822372 /nfs/dbraw/zinc/82/23/72/1281822372.db2.gz QFTZRVUHUKFSSO-QMIVOQANSA-N 1 1 369.385 0.078 20 5 FCBDMO CC(C)(CO)[NH+]1CCN(c2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001589299730 1282833387 /nfs/dbraw/zinc/83/33/87/1282833387.db2.gz PCKGIUKEVDBJKW-UHFFFAOYSA-N 1 1 365.369 0.807 20 5 FCBDMO C[C@H](CCCC[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001589804274 1283017005 /nfs/dbraw/zinc/01/70/05/1283017005.db2.gz GHKSEOPTCBTHGY-SECBINFHSA-N 1 1 369.407 0.571 20 5 FCBDMO CCC(CC)(C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001590427036 1283535286 /nfs/dbraw/zinc/53/52/86/1283535286.db2.gz PANVDHIWRSAIPU-UHFFFAOYSA-N 1 1 369.407 0.571 20 5 FCBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001591123491 1284196431 /nfs/dbraw/zinc/19/64/31/1284196431.db2.gz GTEMEJGVPJGKEP-AWEZNQCLSA-N 1 1 358.362 0.637 20 5 FCBDMO CNC(=O)C[N@@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC001591208927 1284336509 /nfs/dbraw/zinc/33/65/09/1284336509.db2.gz OUBZMOJJRFSFKU-UHFFFAOYSA-N 1 1 374.405 0.341 20 5 FCBDMO CNC(=O)C[N@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC001591208927 1284336516 /nfs/dbraw/zinc/33/65/16/1284336516.db2.gz OUBZMOJJRFSFKU-UHFFFAOYSA-N 1 1 374.405 0.341 20 5 FCBDMO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001591250285 1284404956 /nfs/dbraw/zinc/40/49/56/1284404956.db2.gz LYPLKRAEISMDBE-NEPJUHHUSA-N 1 1 362.346 0.131 20 5 FCBDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001591250285 1284404960 /nfs/dbraw/zinc/40/49/60/1284404960.db2.gz LYPLKRAEISMDBE-NEPJUHHUSA-N 1 1 362.346 0.131 20 5 FCBDMO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001591753347 1284882140 /nfs/dbraw/zinc/88/21/40/1284882140.db2.gz SQZCERRJUJTQBN-IUCAKERBSA-N 1 1 367.391 0.194 20 5 FCBDMO Cc1cc(N2CCN(C)CC[N@H+](C)CC2)cc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001592007651 1285056623 /nfs/dbraw/zinc/05/66/23/1285056623.db2.gz BQZHDLQWNWMGHU-UHFFFAOYSA-N 1 1 360.422 0.767 20 5 FCBDMO C[N@H+](Cc1cc(-c2nn[nH]n2)cs1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001604801126 1287785445 /nfs/dbraw/zinc/78/54/45/1287785445.db2.gz JUGGCXFZRSYJMX-LLVKDONJSA-N 1 1 364.391 0.526 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C1 ZINC001592721700 1285624714 /nfs/dbraw/zinc/62/47/14/1285624714.db2.gz UNZOOBPAOPLVFB-NSHDSACASA-N 1 1 374.405 0.774 20 5 FCBDMO O=C1OCCN1[C@H]1CC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001593415338 1286139347 /nfs/dbraw/zinc/13/93/47/1286139347.db2.gz XXOMUCITKKZPDU-JTQLQIEISA-N 1 1 359.346 0.801 20 5 FCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001593471748 1286172524 /nfs/dbraw/zinc/17/25/24/1286172524.db2.gz YEGKXKKBNNNDLO-GFCCVEGCSA-N 1 1 374.405 0.719 20 5 FCBDMO O=[N+]([O-])c1sc(-c2nn[nH]n2)cc1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001593487211 1286176410 /nfs/dbraw/zinc/17/64/10/1286176410.db2.gz FPGQVFADOXTAQN-UWVGGRQHSA-N 1 1 365.419 0.872 20 5 FCBDMO O=[N+]([O-])c1sc(-c2nn[nH]n2)cc1N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001593487211 1286176413 /nfs/dbraw/zinc/17/64/13/1286176413.db2.gz FPGQVFADOXTAQN-UWVGGRQHSA-N 1 1 365.419 0.872 20 5 FCBDMO CNC(=O)N[C@@H]1CCC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001604884742 1287806926 /nfs/dbraw/zinc/80/69/26/1287806926.db2.gz DXWCVRNWXLWFHP-SNVBAGLBSA-N 1 1 360.378 0.668 20 5 FCBDMO CNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001604884742 1287806930 /nfs/dbraw/zinc/80/69/30/1287806930.db2.gz DXWCVRNWXLWFHP-SNVBAGLBSA-N 1 1 360.378 0.668 20 5 FCBDMO O=C(NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001606674593 1288435055 /nfs/dbraw/zinc/43/50/55/1288435055.db2.gz RGAMITMWOAFREP-HUUCEWRRSA-N 1 1 371.401 0.613 20 5 FCBDMO CC[N@@H+](C)CCC(=O)N(C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001688579710 1294511028 /nfs/dbraw/zinc/51/10/28/1294511028.db2.gz XSLCAJPKWFRQMI-HUUCEWRRSA-N 1 1 354.451 0.690 20 5 FCBDMO CC[N@H+](C)CCC(=O)N(C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001688579710 1294511034 /nfs/dbraw/zinc/51/10/34/1294511034.db2.gz XSLCAJPKWFRQMI-HUUCEWRRSA-N 1 1 354.451 0.690 20 5 FCBDMO CC[N@@H+](C)CCC(=O)N(C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001688579710 1294511042 /nfs/dbraw/zinc/51/10/42/1294511042.db2.gz XSLCAJPKWFRQMI-HUUCEWRRSA-N 1 1 354.451 0.690 20 5 FCBDMO COCC[N@H+]1CCO[C@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])CC[C@H]2C1 ZINC001164851877 720833705 /nfs/dbraw/zinc/83/37/05/720833705.db2.gz ILRBVSMRZITMCC-ZFWWWQNUSA-N 1 1 352.391 0.402 20 5 FCBDMO COCC[N@H+]1CCO[C@@H]2CN(c3ncnc(OC)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164860946 720854537 /nfs/dbraw/zinc/85/45/37/720854537.db2.gz XMKAGTAGHSYPNX-CHWSQXEVSA-N 1 1 367.406 0.567 20 5 FCBDMO COCC[N@H+]1CCO[C@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)CC[C@H]2C1 ZINC001164862147 720861995 /nfs/dbraw/zinc/86/19/95/720861995.db2.gz ZCZQRVGTUHTRPA-WFASDCNBSA-N 1 1 351.407 0.746 20 5 FCBDMO CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001067390005 837456982 /nfs/dbraw/zinc/45/69/82/837456982.db2.gz ZRMRNJWBPOXXIF-ZIAGYGMSSA-N 1 1 354.451 0.690 20 5 FCBDMO CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001067390005 837456989 /nfs/dbraw/zinc/45/69/89/837456989.db2.gz ZRMRNJWBPOXXIF-ZIAGYGMSSA-N 1 1 354.451 0.690 20 5 FCBDMO CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001067390005 837456993 /nfs/dbraw/zinc/45/69/93/837456993.db2.gz ZRMRNJWBPOXXIF-ZIAGYGMSSA-N 1 1 354.451 0.690 20 5 FCBDMO CC(C)CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001105235877 844982791 /nfs/dbraw/zinc/98/27/91/844982791.db2.gz XTQROFHLSSAUJU-HUUCEWRRSA-N 1 1 350.423 0.852 20 5 FCBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCc1ccc(Cl)cc1 ZINC001126936461 848713866 /nfs/dbraw/zinc/71/38/66/848713866.db2.gz JISIBBMJPMUESY-CHWSQXEVSA-N 1 1 354.794 0.327 20 5 FCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CCOCC(F)(F)F)C2 ZINC001147523505 849582814 /nfs/dbraw/zinc/58/28/14/849582814.db2.gz UGOLFSUFALNUSN-GHMZBOCLSA-N 1 1 351.325 0.765 20 5 FCBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC001157620108 849984726 /nfs/dbraw/zinc/98/47/26/849984726.db2.gz BFFVJVVVHPFDEA-ABAIWWIYSA-N 1 1 368.415 0.266 20 5 FCBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccc(F)cc1F ZINC001157767838 849991929 /nfs/dbraw/zinc/99/19/29/849991929.db2.gz XAGMAUUXDJCQQZ-ZWNOBZJWSA-N 1 1 356.329 0.664 20 5 FCBDMO O=C(NCCC[NH2+]Cc1cc(=O)n2ccsc2n1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767418 849992145 /nfs/dbraw/zinc/99/21/45/849992145.db2.gz MFFVGSFMEAIHTG-GHMZBOCLSA-N 1 1 351.388 0.017 20 5 FCBDMO COc1cc(C(=O)NCC(=O)N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1C 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/nfs/dbraw/zinc/41/35/92/850413592.db2.gz TVVPOPGECAWBON-ZIAGYGMSSA-N 1 1 352.435 0.540 20 5 FCBDMO COCCN1CCO[C@H]2C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@H]2C1=O ZINC001169025721 850603597 /nfs/dbraw/zinc/60/35/97/850603597.db2.gz UHOOYGQUCUQQOR-QXSJWSMHSA-N 1 1 355.435 0.628 20 5 FCBDMO CCN(C(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001178449685 850899440 /nfs/dbraw/zinc/89/94/40/850899440.db2.gz DKBXJOUHDKQLNE-HUUCEWRRSA-N 1 1 354.451 0.929 20 5 FCBDMO O=C(C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCC1CCC1 ZINC001178458352 850900676 /nfs/dbraw/zinc/90/06/76/850900676.db2.gz CJOSQIUNTZZLAP-HUUCEWRRSA-N 1 1 354.451 0.834 20 5 FCBDMO CC(C)n1nnnc1C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178458785 850900767 /nfs/dbraw/zinc/90/07/67/850900767.db2.gz XZIWYRAXUGZSTE-CHWSQXEVSA-N 1 1 353.427 0.685 20 5 FCBDMO O=C(C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NCc1ccco1 ZINC001200462145 853499625 /nfs/dbraw/zinc/49/96/25/853499625.db2.gz UFLOHAQZJBCYIB-ZIAGYGMSSA-N 1 1 350.375 0.142 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]CCCN2CCCC2=O)CC1 ZINC001205229445 853601245 /nfs/dbraw/zinc/60/12/45/853601245.db2.gz CDIQRLRIGYMCBI-HUUCEWRRSA-N 1 1 352.435 0.492 20 5 FCBDMO CCN(C)C(=O)CC[N@@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001307872096 866681201 /nfs/dbraw/zinc/68/12/01/866681201.db2.gz MJTOBQRCXYQBGL-UHFFFAOYSA-N 1 1 372.447 0.673 20 5 FCBDMO C[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC001353287707 867388310 /nfs/dbraw/zinc/38/83/10/867388310.db2.gz LQZAYOLSMVIBMV-GOEBONIOSA-N 1 1 352.435 0.560 20 5 FCBDMO COc1ccc(NC(=O)NCC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001345370222 871307594 /nfs/dbraw/zinc/30/75/94/871307594.db2.gz LMJJENUDKUFXNT-UHFFFAOYSA-N 1 1 351.363 0.499 20 5 FCBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001332322231 873454712 /nfs/dbraw/zinc/45/47/12/873454712.db2.gz GPBVXKVCRVAVEC-GXTWGEPZSA-N 1 1 356.448 0.816 20 5 FCBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001332322231 873454717 /nfs/dbraw/zinc/45/47/17/873454717.db2.gz GPBVXKVCRVAVEC-GXTWGEPZSA-N 1 1 356.448 0.816 20 5 FCBDMO NC(=O)NC(=O)CCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293336357 214166871 /nfs/dbraw/zinc/16/68/71/214166871.db2.gz YJTHHNJSRSVKRL-UHFFFAOYSA-N 1 1 363.374 0.328 20 5 FCBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000295290727 214290365 /nfs/dbraw/zinc/29/03/65/214290365.db2.gz NIUMRFCKDUWIIZ-AWEZNQCLSA-N 1 1 357.432 0.861 20 5 FCBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000295633319 214310210 /nfs/dbraw/zinc/31/02/10/214310210.db2.gz ZLJWUWVFSMWCCI-AWEZNQCLSA-N 1 1 364.402 0.288 20 5 FCBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000290981469 214007789 /nfs/dbraw/zinc/00/77/89/214007789.db2.gz JQINCERJVFJMFM-UHFFFAOYSA-N 1 1 355.443 0.316 20 5 FCBDMO CN(CCCN(C)C(=O)NCCn1cc([N+](=O)[O-])cn1)CC[NH+](C)C ZINC000290981469 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/nfs/dbraw/zinc/18/50/24/248185024.db2.gz YJILNAPMBKBVII-UWVGGRQHSA-N 1 1 357.388 0.737 20 5 FCBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000440513997 248193159 /nfs/dbraw/zinc/19/31/59/248193159.db2.gz PRDAWRCWCRNMFE-QGZVFWFLSA-N 1 1 359.386 0.545 20 5 FCBDMO COc1cccc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000444263772 248353715 /nfs/dbraw/zinc/35/37/15/248353715.db2.gz FSMXRDBRKQELLN-UHFFFAOYSA-N 1 1 350.375 0.497 20 5 FCBDMO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000472327457 250146701 /nfs/dbraw/zinc/14/67/01/250146701.db2.gz MDJKMQDISUTYFC-IJEWVQPXSA-N 1 1 353.423 0.874 20 5 FCBDMO COC(=O)[C@H]1CN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000411908490 533009724 /nfs/dbraw/zinc/00/97/24/533009724.db2.gz DXBVSSOFXBCQJU-QWHCGFSZSA-N 1 1 364.402 0.958 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCN(CC(F)(F)F)CC2)c1 ZINC000075625720 208061308 /nfs/dbraw/zinc/06/13/08/208061308.db2.gz RFVGQJDOBYASIM-LBPRGKRZSA-N 1 1 351.329 0.722 20 5 FCBDMO C[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[NH+](C)CC1 ZINC000101627965 208165458 /nfs/dbraw/zinc/16/54/58/208165458.db2.gz LULXZXKNUKISGO-HNNXBMFYSA-N 1 1 361.446 0.879 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000110865414 208270831 /nfs/dbraw/zinc/27/08/31/208270831.db2.gz OFTRLTFZLNZMRA-UHFFFAOYSA-N 1 1 352.439 0.586 20 5 FCBDMO C[N@@H+](CCCO)C1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000115547980 208325892 /nfs/dbraw/zinc/32/58/92/208325892.db2.gz QDSYHADYENQYPR-UHFFFAOYSA-N 1 1 350.419 0.972 20 5 FCBDMO CC(C)COC(=O)N1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000266516066 210349050 /nfs/dbraw/zinc/34/90/50/210349050.db2.gz GLTYCPPLXRRKIH-OAHLLOKOSA-N 1 1 369.422 0.953 20 5 FCBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1F ZINC000412264549 533216208 /nfs/dbraw/zinc/21/62/08/533216208.db2.gz BDNNTZAAVPTYNV-LLVKDONJSA-N 1 1 355.366 0.810 20 5 FCBDMO COC(=O)[C@@H]1CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[N@@H+](C)C1 ZINC000411917869 533487935 /nfs/dbraw/zinc/48/79/35/533487935.db2.gz NWSZAAJFLOHUOD-ZDUSSCGKSA-N 1 1 364.402 0.878 20 5 FCBDMO COC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000411908487 533489243 /nfs/dbraw/zinc/48/92/43/533489243.db2.gz DXBVSSOFXBCQJU-OLZOCXBDSA-N 1 1 364.402 0.958 20 5 FCBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000363689674 488874132 /nfs/dbraw/zinc/87/41/32/488874132.db2.gz GWLLCSURETYMLG-CABCVRRESA-N 1 1 355.416 0.877 20 5 FCBDMO CC1(C)OCC(CO)([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CO1 ZINC000279402767 488939603 /nfs/dbraw/zinc/93/96/03/488939603.db2.gz ZRBYCEXISWSLOE-UHFFFAOYSA-N 1 1 365.386 0.588 20 5 FCBDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000288254881 488961886 /nfs/dbraw/zinc/96/18/86/488961886.db2.gz BXITUHNNXXXQLN-UHFFFAOYSA-N 1 1 358.464 0.898 20 5 FCBDMO CN(CCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000288254881 488961887 /nfs/dbraw/zinc/96/18/87/488961887.db2.gz BXITUHNNXXXQLN-UHFFFAOYSA-N 1 1 358.464 0.898 20 5 FCBDMO COc1ccc(NC(=O)[C@H](C)N2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000052636067 488174151 /nfs/dbraw/zinc/17/41/51/488174151.db2.gz KQLYUHBBMYXPBI-LBPRGKRZSA-N 1 1 352.391 0.540 20 5 FCBDMO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000052694160 488179081 /nfs/dbraw/zinc/17/90/81/488179081.db2.gz JLMQXVDPRJEXMH-LLVKDONJSA-N 1 1 370.431 0.455 20 5 FCBDMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000052694160 488179083 /nfs/dbraw/zinc/17/90/83/488179083.db2.gz JLMQXVDPRJEXMH-LLVKDONJSA-N 1 1 370.431 0.455 20 5 FCBDMO CNC(=O)C[NH+]1CCC(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054645121 488227227 /nfs/dbraw/zinc/22/72/27/488227227.db2.gz GADOBBZFBPYAKK-UHFFFAOYSA-N 1 1 363.418 0.647 20 5 FCBDMO NS(=O)(=O)c1ccc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000064337435 488312238 /nfs/dbraw/zinc/31/22/38/488312238.db2.gz NDQLPONVOAAXCJ-WDEREUQCSA-N 1 1 356.404 0.517 20 5 FCBDMO CNC(=O)C[NH+]1CCC(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000065731880 488320632 /nfs/dbraw/zinc/32/06/32/488320632.db2.gz BOVIXHLSWOBWJD-UHFFFAOYSA-N 1 1 373.413 0.876 20 5 FCBDMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000090188073 488459709 /nfs/dbraw/zinc/45/97/09/488459709.db2.gz SIAJLVWSJMKFKX-UHFFFAOYSA-N 1 1 365.415 0.980 20 5 FCBDMO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000269278804 488486098 /nfs/dbraw/zinc/48/60/98/488486098.db2.gz KGQXVFLHZZSTBR-UHFFFAOYSA-N 1 1 364.402 0.830 20 5 FCBDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000104102677 488504123 /nfs/dbraw/zinc/50/41/23/488504123.db2.gz GSXVMRFIRCUYKD-UHFFFAOYSA-N 1 1 362.427 0.848 20 5 FCBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000250152325 488515611 /nfs/dbraw/zinc/51/56/11/488515611.db2.gz YKEVKFSBNYKNMV-HZSPNIEDSA-N 1 1 351.407 0.892 20 5 FCBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000250152325 488515613 /nfs/dbraw/zinc/51/56/13/488515613.db2.gz YKEVKFSBNYKNMV-HZSPNIEDSA-N 1 1 351.407 0.892 20 5 FCBDMO Cc1n[nH]c(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000261944763 488543104 /nfs/dbraw/zinc/54/31/04/488543104.db2.gz YCOCEYJLEGORQK-VXGBXAGGSA-N 1 1 364.406 0.347 20 5 FCBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000121404268 488567308 /nfs/dbraw/zinc/56/73/08/488567308.db2.gz UVJYXIGJVWELHF-CYBMUJFWSA-N 1 1 363.418 0.512 20 5 FCBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262483867 488572897 /nfs/dbraw/zinc/57/28/97/488572897.db2.gz DZFCQNXEXFYQMO-ZDUSSCGKSA-N 1 1 362.386 0.396 20 5 FCBDMO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272467027 488582742 /nfs/dbraw/zinc/58/27/42/488582742.db2.gz DBCONSJXAKHMOW-UHFFFAOYSA-N 1 1 364.402 0.927 20 5 FCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000272839241 488609841 /nfs/dbraw/zinc/60/98/41/488609841.db2.gz LTJZURNBXHWIOA-NSHDSACASA-N 1 1 369.809 0.549 20 5 FCBDMO COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000273006538 488624946 /nfs/dbraw/zinc/62/49/46/488624946.db2.gz QNPLRIJLHBBCET-LRDDRELGSA-N 1 1 362.386 0.925 20 5 FCBDMO Cc1cc(C(=O)NCC(=O)NCc2c[nH+]c(N(C)C)n2C)ccc1[N+](=O)[O-] ZINC000273054994 488628571 /nfs/dbraw/zinc/62/85/71/488628571.db2.gz KKHLZYYIZXMXLG-UHFFFAOYSA-N 1 1 374.401 0.749 20 5 FCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000129937717 488634996 /nfs/dbraw/zinc/63/49/96/488634996.db2.gz DRLYTSHNGVAMJD-KBPBESRZSA-N 1 1 359.386 0.694 20 5 FCBDMO CN(C)CC[NH+]1CCC(Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000273459660 488652590 /nfs/dbraw/zinc/65/25/90/488652590.db2.gz HWCPFMBNZOALMT-UHFFFAOYSA-N 1 1 371.463 0.680 20 5 FCBDMO Cc1cc(C)nc(N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000136102203 488676520 /nfs/dbraw/zinc/67/65/20/488676520.db2.gz PUNAYXZHSAAIFS-OAHLLOKOSA-N 1 1 361.406 0.381 20 5 FCBDMO Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000264629059 488692188 /nfs/dbraw/zinc/69/21/88/488692188.db2.gz TTXFZEXBQWMZKV-CYBMUJFWSA-N 1 1 370.431 0.521 20 5 FCBDMO Cc1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000264629059 488692191 /nfs/dbraw/zinc/69/21/91/488692191.db2.gz TTXFZEXBQWMZKV-CYBMUJFWSA-N 1 1 370.431 0.521 20 5 FCBDMO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000264671317 488696849 /nfs/dbraw/zinc/69/68/49/488696849.db2.gz AYRITYSPQFRGOK-AWEZNQCLSA-N 1 1 359.390 0.151 20 5 FCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000264671317 488696851 /nfs/dbraw/zinc/69/68/51/488696851.db2.gz AYRITYSPQFRGOK-AWEZNQCLSA-N 1 1 359.390 0.151 20 5 FCBDMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000274387221 488703755 /nfs/dbraw/zinc/70/37/55/488703755.db2.gz BJPWPLNTRWEZAC-UHFFFAOYSA-N 1 1 352.391 0.581 20 5 FCBDMO COC(=O)Cn1cc(CC[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000153164543 488727547 /nfs/dbraw/zinc/72/75/47/488727547.db2.gz LLZPLDSOIBACQU-UHFFFAOYSA-N 1 1 374.401 0.724 20 5 FCBDMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000266903381 488741879 /nfs/dbraw/zinc/74/18/79/488741879.db2.gz AIWGLNMSWUHSNJ-JTQLQIEISA-N 1 1 352.347 0.405 20 5 FCBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(S(C)(=O)=O)CC1 ZINC000154451844 488742852 /nfs/dbraw/zinc/74/28/52/488742852.db2.gz BGLQWLMXIPEMKX-HNNXBMFYSA-N 1 1 357.432 0.984 20 5 FCBDMO COc1ccc(C(=O)NCC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000267130755 488763862 /nfs/dbraw/zinc/76/38/62/488763862.db2.gz FLGJLYROWOMQSC-CYBMUJFWSA-N 1 1 364.402 0.886 20 5 FCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000159136260 488783039 /nfs/dbraw/zinc/78/30/39/488783039.db2.gz GMBWKFSVBJGZTH-QGZVFWFLSA-N 1 1 373.413 0.717 20 5 FCBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000160338097 488791204 /nfs/dbraw/zinc/79/12/04/488791204.db2.gz KCKRZANNQMBBMW-UHFFFAOYSA-N 1 1 353.423 0.998 20 5 FCBDMO Cc1nn(CCC(=O)NCCC(=O)N2CC[NH+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000171099969 488819603 /nfs/dbraw/zinc/81/96/03/488819603.db2.gz QJONBCHDIMHMQD-UHFFFAOYSA-N 1 1 366.422 0.079 20 5 FCBDMO CCc1n[nH]c(C(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)c1[N+](=O)[O-] ZINC000171809610 488827337 /nfs/dbraw/zinc/82/73/37/488827337.db2.gz GWOSSOHDPLAOAS-UHFFFAOYSA-N 1 1 366.422 0.507 20 5 FCBDMO Cc1nsc(N2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000174801107 488851349 /nfs/dbraw/zinc/85/13/49/488851349.db2.gz LYZDHPRCNZSEDG-ZDUSSCGKSA-N 1 1 367.435 0.524 20 5 FCBDMO COc1ccc(C(=O)NCC(=O)NCC[N@@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000280273479 488993315 /nfs/dbraw/zinc/99/33/15/488993315.db2.gz PSNVYDPUNPKAQT-UHFFFAOYSA-N 1 1 362.386 0.711 20 5 FCBDMO COC(=O)c1cc(C(C)(C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000554947349 491233839 /nfs/dbraw/zinc/23/38/39/491233839.db2.gz ZBVDCGATCPCQIO-SNVBAGLBSA-N 1 1 353.335 0.452 20 5 FCBDMO CC[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+]1C[C@@H](C)O ZINC000330683059 489132634 /nfs/dbraw/zinc/13/26/34/489132634.db2.gz IIFBYUOIRJNBQF-CHWSQXEVSA-N 1 1 353.423 0.830 20 5 FCBDMO COc1cc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000366033393 489137553 /nfs/dbraw/zinc/13/75/53/489137553.db2.gz QPQHPXAXVCTUDE-RYUDHWBXSA-N 1 1 371.415 0.745 20 5 FCBDMO COc1cc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000366033393 489137554 /nfs/dbraw/zinc/13/75/54/489137554.db2.gz QPQHPXAXVCTUDE-RYUDHWBXSA-N 1 1 371.415 0.745 20 5 FCBDMO O=C([C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCSCC1 ZINC000369825053 489279969 /nfs/dbraw/zinc/27/99/69/489279969.db2.gz QTCFELVQZDJPMX-KBPBESRZSA-N 1 1 369.447 0.192 20 5 FCBDMO COCC[NH+]1CCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000298081533 489288062 /nfs/dbraw/zinc/28/80/62/489288062.db2.gz ONKLTTLBROPPGO-ZDUSSCGKSA-N 1 1 364.402 0.504 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000362706901 489393115 /nfs/dbraw/zinc/39/31/15/489393115.db2.gz RKDCVWXDRBOLHC-CQSZACIVSA-N 1 1 364.450 0.775 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362706901 489393116 /nfs/dbraw/zinc/39/31/16/489393116.db2.gz RKDCVWXDRBOLHC-CQSZACIVSA-N 1 1 364.450 0.775 20 5 FCBDMO Cc1c(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000362933034 489405818 /nfs/dbraw/zinc/40/58/18/489405818.db2.gz RLUGADATNYXLKL-OLZOCXBDSA-N 1 1 362.386 0.821 20 5 FCBDMO CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370829335 489408652 /nfs/dbraw/zinc/40/86/52/489408652.db2.gz FWBJMSJYTADEOB-AWEZNQCLSA-N 1 1 350.423 0.418 20 5 FCBDMO CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370829335 489408655 /nfs/dbraw/zinc/40/86/55/489408655.db2.gz FWBJMSJYTADEOB-AWEZNQCLSA-N 1 1 350.423 0.418 20 5 FCBDMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363026240 489413506 /nfs/dbraw/zinc/41/35/06/489413506.db2.gz AANDYLBOSKEXAO-NEPJUHHUSA-N 1 1 372.381 0.934 20 5 FCBDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000371000588 489436195 /nfs/dbraw/zinc/43/61/95/489436195.db2.gz WPXDLYUBBLPXEE-GFCCVEGCSA-N 1 1 370.431 0.855 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000363358109 489456245 /nfs/dbraw/zinc/45/62/45/489456245.db2.gz APGZQYQCDJCDJJ-AWEZNQCLSA-N 1 1 361.402 0.731 20 5 FCBDMO CNS(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000363537555 489477484 /nfs/dbraw/zinc/47/74/84/489477484.db2.gz ZZJUFQFJTAPYGD-ZFWWWQNUSA-N 1 1 373.431 0.348 20 5 FCBDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000363537555 489477485 /nfs/dbraw/zinc/47/74/85/489477485.db2.gz ZZJUFQFJTAPYGD-ZFWWWQNUSA-N 1 1 373.431 0.348 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000363540606 489477517 /nfs/dbraw/zinc/47/75/17/489477517.db2.gz YQVHWVGBNFHDME-CQSZACIVSA-N 1 1 350.423 0.338 20 5 FCBDMO O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000451673455 489516562 /nfs/dbraw/zinc/51/65/62/489516562.db2.gz VRRKUJPXYCNKRM-OAHLLOKOSA-N 1 1 371.459 0.904 20 5 FCBDMO C[C@@H](CNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000455437537 489593029 /nfs/dbraw/zinc/59/30/29/489593029.db2.gz WKSQMGLVYUHOKB-NSHDSACASA-N 1 1 358.420 0.618 20 5 FCBDMO CNc1nc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000456022077 489605287 /nfs/dbraw/zinc/60/52/87/489605287.db2.gz JAOWTWDRRBSBII-NSHDSACASA-N 1 1 351.407 0.949 20 5 FCBDMO CNc1nc(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000456022077 489605288 /nfs/dbraw/zinc/60/52/88/489605288.db2.gz JAOWTWDRRBSBII-NSHDSACASA-N 1 1 351.407 0.949 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000430227558 489725524 /nfs/dbraw/zinc/72/55/24/489725524.db2.gz RMBAYIHGYWCCAO-LLVKDONJSA-N 1 1 358.420 0.609 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000430227558 489725527 /nfs/dbraw/zinc/72/55/27/489725527.db2.gz RMBAYIHGYWCCAO-LLVKDONJSA-N 1 1 358.420 0.609 20 5 FCBDMO Cn1cc(N2CC[C@H]([NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)C2=O)cn1 ZINC000376480129 489741018 /nfs/dbraw/zinc/74/10/18/489741018.db2.gz WSWIOOLNMLQKLB-AWEZNQCLSA-N 1 1 359.390 0.967 20 5 FCBDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475725144 489845023 /nfs/dbraw/zinc/84/50/23/489845023.db2.gz XPCPLVWQMDUGBH-LLVKDONJSA-N 1 1 353.375 0.961 20 5 FCBDMO COc1c(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000475780634 489847842 /nfs/dbraw/zinc/84/78/42/489847842.db2.gz LYWVEECMLKRUKE-ZDUSSCGKSA-N 1 1 350.375 0.673 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000493921258 489863130 /nfs/dbraw/zinc/86/31/30/489863130.db2.gz VXIQNKDOQJSFLQ-CQSZACIVSA-N 1 1 353.423 0.963 20 5 FCBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000493965210 489864804 /nfs/dbraw/zinc/86/48/04/489864804.db2.gz NJXXPIAOCMKJQL-FRRDWIJNSA-N 1 1 352.395 0.287 20 5 FCBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000493965210 489864806 /nfs/dbraw/zinc/86/48/06/489864806.db2.gz NJXXPIAOCMKJQL-FRRDWIJNSA-N 1 1 352.395 0.287 20 5 FCBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@]1(CO)CCOC1 ZINC000461377482 489907190 /nfs/dbraw/zinc/90/71/90/489907190.db2.gz VXIWXZKTHLRKCO-MRXNPFEDSA-N 1 1 351.359 0.976 20 5 FCBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000494707206 489907329 /nfs/dbraw/zinc/90/73/29/489907329.db2.gz JCJMWGDINYJJLP-ZIAGYGMSSA-N 1 1 373.431 0.348 20 5 FCBDMO 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ZINC000420971406 490037415 /nfs/dbraw/zinc/03/74/15/490037415.db2.gz HZIPBNWLOBEXGZ-ZDUSSCGKSA-N 1 1 359.404 0.220 20 5 FCBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1COCCO1 ZINC000420971406 490037419 /nfs/dbraw/zinc/03/74/19/490037419.db2.gz HZIPBNWLOBEXGZ-ZDUSSCGKSA-N 1 1 359.404 0.220 20 5 FCBDMO CSC[C@H](O)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420972111 490037485 /nfs/dbraw/zinc/03/74/85/490037485.db2.gz JPKQCPWXKHQVAQ-GFCCVEGCSA-N 1 1 363.461 0.529 20 5 FCBDMO O=C1NCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1CC1CCCCC1 ZINC000421028494 490044194 /nfs/dbraw/zinc/04/41/94/490044194.db2.gz AHCLEGCAWAJNCZ-HOTGVXAUSA-N 1 1 365.434 0.923 20 5 FCBDMO O=C1NCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1CC1CCCCC1 ZINC000421028494 490044197 /nfs/dbraw/zinc/04/41/97/490044197.db2.gz AHCLEGCAWAJNCZ-HOTGVXAUSA-N 1 1 365.434 0.923 20 5 FCBDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000464197102 490044659 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O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1)N1CCC1 ZINC000946589112 667669543 /nfs/dbraw/zinc/66/95/43/667669543.db2.gz GQHYCOZKZSVOID-LXTVHRRPSA-N 1 1 350.419 0.054 20 5 FCBDMO O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1)N1CCC1 ZINC000946589112 667669545 /nfs/dbraw/zinc/66/95/45/667669545.db2.gz GQHYCOZKZSVOID-LXTVHRRPSA-N 1 1 350.419 0.054 20 5 FCBDMO O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1)N1CCC1 ZINC000946589112 667669547 /nfs/dbraw/zinc/66/95/47/667669547.db2.gz GQHYCOZKZSVOID-LXTVHRRPSA-N 1 1 350.419 0.054 20 5 FCBDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000773960212 668115030 /nfs/dbraw/zinc/11/50/30/668115030.db2.gz DZXXXKDQFWPSIL-IAOVAPTHSA-N 1 1 354.403 0.974 20 5 FCBDMO C[C@@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000771760626 668270649 /nfs/dbraw/zinc/27/06/49/668270649.db2.gz SGCJOPULVIBSBL-ABAIWWIYSA-N 1 1 351.359 0.621 20 5 FCBDMO C[C@@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000771760626 668270651 /nfs/dbraw/zinc/27/06/51/668270651.db2.gz SGCJOPULVIBSBL-ABAIWWIYSA-N 1 1 351.359 0.621 20 5 FCBDMO COC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000777909563 668341768 /nfs/dbraw/zinc/34/17/68/668341768.db2.gz ZTXYQHUFDPVVEO-VIFPVBQESA-N 1 1 358.376 0.756 20 5 FCBDMO COC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000777909563 668341775 /nfs/dbraw/zinc/34/17/75/668341775.db2.gz ZTXYQHUFDPVVEO-VIFPVBQESA-N 1 1 358.376 0.756 20 5 FCBDMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)C1 ZINC000777908958 668342000 /nfs/dbraw/zinc/34/20/00/668342000.db2.gz QDOWZVUKRDQNBB-JTQLQIEISA-N 1 1 370.387 0.534 20 5 FCBDMO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)C1 ZINC000777908958 668342004 /nfs/dbraw/zinc/34/20/04/668342004.db2.gz QDOWZVUKRDQNBB-JTQLQIEISA-N 1 1 370.387 0.534 20 5 FCBDMO NC(=O)C[NH+]1CCC(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000778223018 668356391 /nfs/dbraw/zinc/35/63/91/668356391.db2.gz HATZMZSSVHTIAT-UHFFFAOYSA-N 1 1 364.387 0.279 20 5 FCBDMO COC(=O)c1cc(C)nc(NC2CC[NH+](CC(N)=O)CC2)c1[N+](=O)[O-] ZINC000804340211 669376325 /nfs/dbraw/zinc/37/63/25/669376325.db2.gz NIYKTKXFFHYLQL-UHFFFAOYSA-N 1 1 351.363 0.446 20 5 FCBDMO O=C(C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)N1CCCC1 ZINC000963789356 675004009 /nfs/dbraw/zinc/00/40/09/675004009.db2.gz YGGCOBMLEGJJDH-FZOOGMQUSA-N 1 1 350.419 0.291 20 5 FCBDMO COCC[N@@H+](C)C[C@H](O)Cn1cnc2cc(Cl)c([N+](=O)[O-])cc2c1=O ZINC000848675165 671289150 /nfs/dbraw/zinc/28/91/50/671289150.db2.gz SPQWPJPQKRWBQS-JTQLQIEISA-N 1 1 370.793 0.897 20 5 FCBDMO CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000849451840 671348491 /nfs/dbraw/zinc/34/84/91/671348491.db2.gz KONWVWZODKYMSW-UHFFFAOYSA-N 1 1 364.449 0.297 20 5 FCBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861708704 671982339 /nfs/dbraw/zinc/98/23/39/671982339.db2.gz BVYMWGDSJJSOAD-NEPJUHHUSA-N 1 1 353.350 0.780 20 5 FCBDMO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863319004 672113551 /nfs/dbraw/zinc/11/35/51/672113551.db2.gz ZDGSRRXMEBICRP-SNVBAGLBSA-N 1 1 354.338 0.489 20 5 FCBDMO C[NH+](C)CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2C1 ZINC001055331883 676016424 /nfs/dbraw/zinc/01/64/24/676016424.db2.gz SGWUVALRDGTMKS-LXTVHRRPSA-N 1 1 352.435 0.300 20 5 FCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1Br ZINC000122609026 672436148 /nfs/dbraw/zinc/43/61/48/672436148.db2.gz QMRFAVYZJMWGRQ-UHFFFAOYSA-N 1 1 350.194 0.951 20 5 FCBDMO CCCCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575074 676024743 /nfs/dbraw/zinc/02/47/43/676024743.db2.gz LAWYIWVSPHFTBH-HUUCEWRRSA-N 1 1 354.451 0.929 20 5 FCBDMO CN(CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(=O)C12CC[NH+](CC1)C2 ZINC000988530431 1192260121 /nfs/dbraw/zinc/26/01/21/1192260121.db2.gz CRAIZHFJPUMWCV-HUUCEWRRSA-N 1 1 364.446 0.444 20 5 FCBDMO CC(C)(C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21)[NH+]1CCCCC1 ZINC000976553898 1185979124 /nfs/dbraw/zinc/97/91/24/1185979124.db2.gz GULHBLLEMHGONJ-QMIVOQANSA-N 1 1 364.446 0.489 20 5 FCBDMO CC(C)(C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)[NH+]1CCCCC1 ZINC000979752251 1186115852 /nfs/dbraw/zinc/11/58/52/1186115852.db2.gz DMJWMTFRWHKEQB-KBUPBQIOSA-N 1 1 366.462 0.927 20 5 FCBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983653491 1188248801 /nfs/dbraw/zinc/24/88/01/1188248801.db2.gz JHTOYERIJLESLV-WGEPELCKSA-N 1 1 361.402 0.709 20 5 FCBDMO C[C@H](Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895247488 1189804231 /nfs/dbraw/zinc/80/42/31/1189804231.db2.gz USNRXRWTRFXYBX-QWHCGFSZSA-N 1 1 365.438 0.268 20 5 FCBDMO Cn1c(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000896240143 1190020104 /nfs/dbraw/zinc/02/01/04/1190020104.db2.gz PREPAMAQPJVSLC-UHFFFAOYSA-N 1 1 364.406 0.059 20 5 FCBDMO COc1cc(OCC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000896567354 1190094785 /nfs/dbraw/zinc/09/47/85/1190094785.db2.gz GGLDAPLPZZFUBL-DOMZBBRYSA-N 1 1 366.418 0.733 20 5 FCBDMO CCN(Cc1cccc(F)c1)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126939227 1194627755 /nfs/dbraw/zinc/62/77/55/1194627755.db2.gz SSUIPSNZXQOJOD-HUUCEWRRSA-N 1 1 366.393 0.545 20 5 FCBDMO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000593605995 1196807814 /nfs/dbraw/zinc/80/78/14/1196807814.db2.gz NGASTGPTKOLLRS-GOSISDBHSA-N 1 1 373.413 0.944 20 5 FCBDMO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593853864 1196826656 /nfs/dbraw/zinc/82/66/56/1196826656.db2.gz GSYSQHQPCNOKFW-GFCCVEGCSA-N 1 1 358.354 0.740 20 5 FCBDMO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593853864 1196826657 /nfs/dbraw/zinc/82/66/57/1196826657.db2.gz GSYSQHQPCNOKFW-GFCCVEGCSA-N 1 1 358.354 0.740 20 5 FCBDMO O=C(NC1CC1)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000810036898 1202939991 /nfs/dbraw/zinc/93/99/91/1202939991.db2.gz ATJQGAUMSIEIOT-ZFWWWQNUSA-N 1 1 367.406 0.895 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CC3(CN(Cc4ccccc4)C3)C2)c1 ZINC000871988252 1210172362 /nfs/dbraw/zinc/17/23/62/1210172362.db2.gz NEXYDLTXLDYCJA-KRWDZBQOSA-N 1 1 357.414 0.970 20 5 FCBDMO C[N@H+]1CC[C@@H]1CNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000925412737 1211500065 /nfs/dbraw/zinc/50/00/65/1211500065.db2.gz XQHZDOHFUSTOGM-OAHLLOKOSA-N 1 1 361.402 0.766 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC2(CC[NH+](Cc3ccccn3)CC2)C1 ZINC000949091600 1212289258 /nfs/dbraw/zinc/28/92/58/1212289258.db2.gz AGZJVFYPTRADQR-HZPDHXFCSA-N 1 1 360.414 0.940 20 5 FCBDMO CC1CC[NH+](CC(=O)N(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000954197688 1213046718 /nfs/dbraw/zinc/04/67/18/1213046718.db2.gz CRTRHZKYQGUMBP-HZPDHXFCSA-N 1 1 366.462 0.833 20 5 FCBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000954239759 1213050317 /nfs/dbraw/zinc/05/03/17/1213050317.db2.gz HBUAMMLMBJFKQG-HZPDHXFCSA-N 1 1 360.414 0.696 20 5 FCBDMO Cn1nncc1C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000957547728 1213320221 /nfs/dbraw/zinc/32/02/21/1213320221.db2.gz NKJAQXDMJXMEHG-HUUCEWRRSA-N 1 1 362.434 0.685 20 5 FCBDMO O=C(C[NH+]1CCCC1)N1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001017158870 1214078708 /nfs/dbraw/zinc/07/87/08/1214078708.db2.gz CUFOIZATINNECI-HUUCEWRRSA-N 1 1 364.446 0.635 20 5 FCBDMO C[NH+]1CCC(CC(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C3)CC1 ZINC001019022584 1214180436 /nfs/dbraw/zinc/18/04/36/1214180436.db2.gz CKQVKKKFRRTRHK-HUUCEWRRSA-N 1 1 364.446 0.444 20 5 FCBDMO CC(C)(C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1)[NH+]1CCCC1 ZINC000961549543 1214222593 /nfs/dbraw/zinc/22/25/93/1214222593.db2.gz YCVAJNJAWVSBJN-LXTVHRRPSA-N 1 1 364.446 0.443 20 5 FCBDMO Cn1cc(-c2cc(C[NH2+][C@H]3C[C@H](NC(=O)[C@@H]4CC4[N+](=O)[O-])C3)on2)cn1 ZINC001020139057 1214312684 /nfs/dbraw/zinc/31/26/84/1214312684.db2.gz ONLLQSPNGHWRHI-NLRBGTRBSA-N 1 1 360.374 0.477 20 5 FCBDMO NC(=O)c1cccc(C[NH+]2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001001400565 1216190533 /nfs/dbraw/zinc/19/05/33/1216190533.db2.gz UXGSPTKXQFPKMN-HZPDHXFCSA-N 1 1 360.414 0.779 20 5 FCBDMO COc1nccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001050325396 1216307363 /nfs/dbraw/zinc/30/73/63/1216307363.db2.gz BNJCDYQJFPLMCT-QHSBEEBCSA-N 1 1 363.418 0.915 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801870137 1218168317 /nfs/dbraw/zinc/16/83/17/1218168317.db2.gz QYELJSGXIJZBCZ-SNVBAGLBSA-N 1 1 367.381 0.633 20 5 FCBDMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000748714545 1218814465 /nfs/dbraw/zinc/81/44/65/1218814465.db2.gz IQOZEEVCDUCZHE-UHFFFAOYSA-N 1 1 368.353 0.962 20 5 FCBDMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000826746710 1218905103 /nfs/dbraw/zinc/90/51/03/1218905103.db2.gz JVAKOQCUGXUHID-BLLLJJGKSA-N 1 1 365.386 0.724 20 5 FCBDMO O=C(CC1CCCC1)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055506379 1219061957 /nfs/dbraw/zinc/06/19/57/1219061957.db2.gz MMMGTHNGBTXHFT-HZPDHXFCSA-N 1 1 366.462 0.929 20 5 FCBDMO Cc1cc[nH]c1C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575056 1219083704 /nfs/dbraw/zinc/08/37/04/1219083704.db2.gz JQTGQESQHMPCEZ-ZIAGYGMSSA-N 1 1 363.418 0.299 20 5 FCBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000783375853 1221210628 /nfs/dbraw/zinc/21/06/28/1221210628.db2.gz CDOXGKALXPHJNU-GFCCVEGCSA-N 1 1 367.406 0.622 20 5 FCBDMO CC(C)(C)CNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001121087694 1222146735 /nfs/dbraw/zinc/14/67/35/1222146735.db2.gz UMPMBMUCGPKUIL-DPTAPRKNSA-N 1 1 366.462 0.831 20 5 FCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000828405561 1222403632 /nfs/dbraw/zinc/40/36/32/1222403632.db2.gz NNYOZMQBRPLUME-MLGOLLRUSA-N 1 1 365.386 0.724 20 5 FCBDMO COC(=O)CC[N@H+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000828405561 1222403635 /nfs/dbraw/zinc/40/36/35/1222403635.db2.gz NNYOZMQBRPLUME-MLGOLLRUSA-N 1 1 365.386 0.724 20 5 FCBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001151104734 1222916316 /nfs/dbraw/zinc/91/63/16/1222916316.db2.gz XTWHOMBBDDHGIF-ZDUSSCGKSA-N 1 1 364.402 0.286 20 5 FCBDMO CCOC(=O)C(C(=O)OCC)c1nc(N2CC[C@@H]2[NH2+]C)ccc1[N+](=O)[O-] ZINC001156673242 1223060308 /nfs/dbraw/zinc/06/03/08/1223060308.db2.gz WTYGZEROFVTJSJ-LLVKDONJSA-N 1 1 366.374 0.955 20 5 FCBDMO CN1CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C2(CCCC2)C1 ZINC001158408744 1223096839 /nfs/dbraw/zinc/09/68/39/1223096839.db2.gz OKBQEVAWJZFRMH-UHFFFAOYSA-N 1 1 361.450 0.859 20 5 FCBDMO COc1c(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)cccc1[N+](=O)[O-] ZINC001159858585 1223138417 /nfs/dbraw/zinc/13/84/17/1223138417.db2.gz FRZPRMZBPVFRAS-YVEFUNNKSA-N 1 1 365.386 0.559 20 5 FCBDMO COc1c(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)cccc1[N+](=O)[O-] ZINC001159858585 1223138418 /nfs/dbraw/zinc/13/84/18/1223138418.db2.gz FRZPRMZBPVFRAS-YVEFUNNKSA-N 1 1 365.386 0.559 20 5 FCBDMO COC(=O)c1ccnc(N2CC([C@@H]([NH3+])C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC001163119228 1223226622 /nfs/dbraw/zinc/22/66/22/1223226622.db2.gz OWSMGKVIRZBJQK-LLVKDONJSA-N 1 1 366.374 0.882 20 5 FCBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000848791622 1245383330 /nfs/dbraw/zinc/38/33/30/1245383330.db2.gz VYOWFGNYFFDOAK-LLVKDONJSA-N 1 1 365.390 0.741 20 5 FCBDMO C[N@H+]1CCCN(c2ccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)cc2)CC1 ZINC000918614096 1245580336 /nfs/dbraw/zinc/58/03/36/1245580336.db2.gz LRDGVCAHQUDBIS-UHFFFAOYSA-N 1 1 359.390 0.967 20 5 FCBDMO CCn1ncc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)n1 ZINC000946589077 1247905811 /nfs/dbraw/zinc/90/58/11/1247905811.db2.gz FARPBFXQKRGNQG-OCVGTWLNSA-N 1 1 362.434 0.634 20 5 FCBDMO Cc1c(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]32)ccc2c[nH+]cn21 ZINC000976779920 1248399775 /nfs/dbraw/zinc/39/97/75/1248399775.db2.gz WGHASVZIWWUGEP-LJIZCISZSA-N 1 1 369.381 0.495 20 5 FCBDMO Cn1ccc(C[NH+]2CC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC3)cc1=O ZINC001035704758 1254056872 /nfs/dbraw/zinc/05/68/72/1254056872.db2.gz WSPWVBZLINQDHP-HUUCEWRRSA-N 1 1 360.414 0.475 20 5 FCBDMO CNC(=O)CN1CCO[C@H]2C[N@@H+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001254556931 1259888912 /nfs/dbraw/zinc/88/89/12/1259888912.db2.gz NKOIYWKSAZNYEY-XKQJLSEDSA-N 1 1 362.430 0.657 20 5 FCBDMO CNC(=O)CN1CCO[C@H]2C[N@H+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001254556931 1259888920 /nfs/dbraw/zinc/88/89/20/1259888920.db2.gz NKOIYWKSAZNYEY-XKQJLSEDSA-N 1 1 362.430 0.657 20 5 FCBDMO CNC(=O)CN1CCO[C@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254599530 1259889265 /nfs/dbraw/zinc/88/92/65/1259889265.db2.gz ZNJQPKBIKMVVHL-ZACQAIPSSA-N 1 1 360.414 0.193 20 5 FCBDMO CC(=O)N1CC(=O)NC[C@]12CC[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254596774 1259890391 /nfs/dbraw/zinc/89/03/91/1259890391.db2.gz RFNZRAXDQFAOQO-WMZOPIPTSA-N 1 1 358.398 0.485 20 5 FCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001345332775 1261675417 /nfs/dbraw/zinc/67/54/17/1261675417.db2.gz CWONFXZQPQYARW-WBMJQRKESA-N 1 1 360.414 0.852 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001307785773 1263200691 /nfs/dbraw/zinc/20/06/91/1263200691.db2.gz PRWTZWNOIIOODB-PHIMTYICSA-N 1 1 362.342 0.136 20 5 FCBDMO C[C@@H](NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC001323429492 1264428254 /nfs/dbraw/zinc/42/82/54/1264428254.db2.gz WJMBLKXXXNGASJ-IUODEOHRSA-N 1 1 364.402 0.089 20 5 FCBDMO C[C@@H](NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC001323429492 1264428258 /nfs/dbraw/zinc/42/82/58/1264428258.db2.gz WJMBLKXXXNGASJ-IUODEOHRSA-N 1 1 364.402 0.089 20 5 FCBDMO C[C@H](NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCO1 ZINC001323833133 1264525129 /nfs/dbraw/zinc/52/51/29/1264525129.db2.gz AJILRKPQWUNCKG-SWLSCSKDSA-N 1 1 364.402 0.089 20 5 FCBDMO C[C@H](NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001323833133 1264525134 /nfs/dbraw/zinc/52/51/34/1264525134.db2.gz AJILRKPQWUNCKG-SWLSCSKDSA-N 1 1 364.402 0.089 20 5 FCBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001324092495 1264574287 /nfs/dbraw/zinc/57/42/87/1264574287.db2.gz RDSGXLKZQNONAW-SWLSCSKDSA-N 1 1 360.414 0.852 20 5 FCBDMO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC001324522088 1264663403 /nfs/dbraw/zinc/66/34/03/1264663403.db2.gz LHFRGNHEOHNSGI-TZMCWYRMSA-N 1 1 360.414 0.995 20 5 FCBDMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001326028823 1265048429 /nfs/dbraw/zinc/04/84/29/1265048429.db2.gz RIWYEEXXZPDVGW-CYBMUJFWSA-N 1 1 366.418 0.775 20 5 FCBDMO COCCC[N@@H+](C)CCNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001342570299 1269520695 /nfs/dbraw/zinc/52/06/95/1269520695.db2.gz MHGJNTSTJIXMEO-UHFFFAOYSA-N 1 1 364.402 0.522 20 5 FCBDMO C[C@@H](C(=O)OCc1ccc(N(C)C)c([N+](=O)[O-])c1)N1CC[NH2+]CC1=O ZINC001575081113 1271712472 /nfs/dbraw/zinc/71/24/72/1271712472.db2.gz HHCMMLJPIFLAAL-NSHDSACASA-N 1 1 350.375 0.524 20 5 FCBDMO CC(C)(CO)N1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC001576081994 1272854021 /nfs/dbraw/zinc/85/40/21/1272854021.db2.gz QYGVFWUPVPHANQ-KRWDZBQOSA-N 1 1 350.419 0.684 20 5 FCBDMO C[C@@]([NH3+])(C(=O)N1CCN(c2cccnn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC001576080724 1272855125 /nfs/dbraw/zinc/85/51/25/1272855125.db2.gz HBUQEPHKWRICEX-KRWDZBQOSA-N 1 1 356.386 0.908 20 5 FCBDMO O=C(NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001582311574 1281313672 /nfs/dbraw/zinc/31/36/72/1281313672.db2.gz MUNJFEMMMMZYFH-HUUCEWRRSA-N 1 1 371.401 0.613 20 5 FCBDMO C[C@@H](O)C[N@H+]1CCN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC001590002109 1283171400 /nfs/dbraw/zinc/17/14/00/1283171400.db2.gz QHRYZOWZPSNHSE-NWDGAFQWSA-N 1 1 361.406 0.662 20 5 FCBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC[NH2+]1 ZINC001590207112 1283327786 /nfs/dbraw/zinc/32/77/86/1283327786.db2.gz OOTZVTCZWPWTDX-IUCAKERBSA-N 1 1 367.391 0.194 20 5 FCBDMO CC[NH+]1CCN(C(=O)CNc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC001590735242 1283774247 /nfs/dbraw/zinc/77/42/47/1283774247.db2.gz QHWYCTVYNYCSOZ-UHFFFAOYSA-N 1 1 360.378 0.351 20 5 FCBDMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001591003917 1284063707 /nfs/dbraw/zinc/06/37/07/1284063707.db2.gz NHTVSZSOTTZQGI-LLVKDONJSA-N 1 1 374.405 0.963 20 5 FCBDMO C[N@@H+](CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])CCOCCO ZINC001591105308 1284178040 /nfs/dbraw/zinc/17/80/40/1284178040.db2.gz FSRYFCQNZZQHGE-UHFFFAOYSA-N 1 1 351.367 0.128 20 5 FCBDMO C[N@@H+]1CCO[C@@H](CSc2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)C1 ZINC001591195198 1284317959 /nfs/dbraw/zinc/31/79/59/1284317959.db2.gz WIVOLKDRIZBEEM-MRVPVSSYSA-N 1 1 351.392 0.780 20 5 FCBDMO C[N@H+]1CCO[C@@H](CSc2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)C1 ZINC001591195198 1284317962 /nfs/dbraw/zinc/31/79/62/1284317962.db2.gz WIVOLKDRIZBEEM-MRVPVSSYSA-N 1 1 351.392 0.780 20 5 FCBDMO COC1(OC)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1O ZINC001591346964 1284484205 /nfs/dbraw/zinc/48/42/05/1284484205.db2.gz VQYBSUZHXUEKIU-ZDUSSCGKSA-N 1 1 364.362 0.331 20 5 FCBDMO COC1(OC)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1O ZINC001591346964 1284484209 /nfs/dbraw/zinc/48/42/09/1284484209.db2.gz VQYBSUZHXUEKIU-ZDUSSCGKSA-N 1 1 364.362 0.331 20 5 FCBDMO C[N@H+]1CCC[C@@H](N2CCN(c3cc(-c4nn[nH]n4)ccc3[N+](=O)[O-])CC2)C1 ZINC001609284235 1289047693 /nfs/dbraw/zinc/04/76/93/1289047693.db2.gz GXJKVCQLQILSIU-CQSZACIVSA-N 1 1 372.433 0.991 20 5 FCBDMO O=[N+]([O-])c1cnc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(-c2nn[nH]n2)c1 ZINC001593485954 1286174343 /nfs/dbraw/zinc/17/43/43/1286174343.db2.gz IEBUEAXOTAVPFP-GFCCVEGCSA-N 1 1 360.378 0.205 20 5 FCBDMO Cc1c[nH+]cn1CC(=O)NCCNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001605987874 1288121089 /nfs/dbraw/zinc/12/10/89/1288121089.db2.gz WJUSUDMIKGQOOA-UHFFFAOYSA-N 1 1 371.361 0.508 20 5 FCBDMO CC(C)(C)NC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001698735334 1289535175 /nfs/dbraw/zinc/53/51/75/1289535175.db2.gz HBIAXHSFCZUYLR-ZIAGYGMSSA-N 1 1 366.462 0.881 20 5 FCBDMO CC(C)(C)NC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001698735334 1289535179 /nfs/dbraw/zinc/53/51/79/1289535179.db2.gz HBIAXHSFCZUYLR-ZIAGYGMSSA-N 1 1 366.462 0.881 20 5 FCBDMO CC(C)(C)NC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001698735334 1289535182 /nfs/dbraw/zinc/53/51/82/1289535182.db2.gz HBIAXHSFCZUYLR-ZIAGYGMSSA-N 1 1 366.462 0.881 20 5 FCBDMO CN(CC(C)(C)C[NH2+]CC(=O)Nc1cnccn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001755280606 1290642719 /nfs/dbraw/zinc/64/27/19/1290642719.db2.gz LJTBUAAYMPWROX-VXGBXAGGSA-N 1 1 364.406 0.155 20 5 FCBDMO CN(Cc1ccco1)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001691782201 1294921739 /nfs/dbraw/zinc/92/17/39/1294921739.db2.gz AYIIVBNLDGBECF-QHSBEEBCSA-N 1 1 364.402 0.388 20 5 FCBDMO COc1ncnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164737827 720695742 /nfs/dbraw/zinc/69/57/42/720695742.db2.gz HFWGBYXBWWZHEF-NWDGAFQWSA-N 1 1 373.373 0.525 20 5 FCBDMO Cc1nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164752755 720796596 /nfs/dbraw/zinc/79/65/96/720796596.db2.gz ZRUPNYLOWOGEAG-CHWSQXEVSA-N 1 1 357.374 0.825 20 5 FCBDMO Cc1nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164752761 720797803 /nfs/dbraw/zinc/79/78/03/720797803.db2.gz ZRUPNYLOWOGEAG-STQMWFEESA-N 1 1 357.374 0.825 20 5 FCBDMO COCC[N@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])c(OC)n3)CC[C@@H]2C1 ZINC001164847632 720831493 /nfs/dbraw/zinc/83/14/93/720831493.db2.gz JVEVNENYTNUPRM-OCCSQVGLSA-N 1 1 367.406 0.567 20 5 FCBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(C)ncc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164851321 720850819 /nfs/dbraw/zinc/85/08/19/720850819.db2.gz GRRYJQDUPBPKSB-DZGCQCFKSA-N 1 1 351.407 0.867 20 5 FCBDMO COCC[N@H+]1CCO[C@H]2CN(c3ncnc(OC)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164860953 720854800 /nfs/dbraw/zinc/85/48/00/720854800.db2.gz XMKAGTAGHSYPNX-STQMWFEESA-N 1 1 367.406 0.567 20 5 FCBDMO CN(CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067392029 837456873 /nfs/dbraw/zinc/45/68/73/837456873.db2.gz YNCSZHAKOQJVRD-ZIAGYGMSSA-N 1 1 354.451 0.833 20 5 FCBDMO C[NH+](C)CC1(C(=O)N2CCC(C)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001073222624 837760407 /nfs/dbraw/zinc/76/04/07/837760407.db2.gz RKEPHDQCUZPNDO-CHWSQXEVSA-N 1 1 352.435 0.491 20 5 FCBDMO C[NH+](C)CCCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060730642 836670540 /nfs/dbraw/zinc/67/05/40/836670540.db2.gz SYXPFABOFFGATA-KBUPBQIOSA-N 1 1 354.451 0.785 20 5 FCBDMO CC(C)[N@@H+](C)CC(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001061005486 836677778 /nfs/dbraw/zinc/67/77/78/836677778.db2.gz CMXZECCYXKHNOA-ZIAGYGMSSA-N 1 1 352.435 0.443 20 5 FCBDMO CC(C)[N@H+](C)CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001061005486 836677782 /nfs/dbraw/zinc/67/77/82/836677782.db2.gz CMXZECCYXKHNOA-ZIAGYGMSSA-N 1 1 352.435 0.443 20 5 FCBDMO CC(C)[N@@H+](C)CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001061005486 836677784 /nfs/dbraw/zinc/67/77/84/836677784.db2.gz CMXZECCYXKHNOA-ZIAGYGMSSA-N 1 1 352.435 0.443 20 5 FCBDMO C[NH+]1CCC(CC(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)CC1 ZINC001063031253 836747836 /nfs/dbraw/zinc/74/78/36/836747836.db2.gz NVWWPXBZVWNUIY-ZIAGYGMSSA-N 1 1 352.435 0.539 20 5 FCBDMO CN(C(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1)C1CC1 ZINC001115530569 846561476 /nfs/dbraw/zinc/56/14/76/846561476.db2.gz DRIXNVNESOTEGG-ZIAGYGMSSA-N 1 1 352.435 0.681 20 5 FCBDMO CC(C)CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001115530851 846561638 /nfs/dbraw/zinc/56/16/38/846561638.db2.gz VCLWULJYUCHOEM-ZIAGYGMSSA-N 1 1 354.451 0.833 20 5 FCBDMO CCOCC[NH+]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CCOC)CC1 ZINC001122334648 848493370 /nfs/dbraw/zinc/49/33/70/848493370.db2.gz RLFFCWMKFBXRQE-CYBMUJFWSA-N 1 1 356.427 0.421 20 5 FCBDMO O=C(NCC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CC1[N+](=O)[O-] ZINC001126938675 848713674 /nfs/dbraw/zinc/71/36/74/848713674.db2.gz GEEFKJHGSAQYGR-ZYHUDNBSSA-N 1 1 355.778 0.982 20 5 FCBDMO C[NH+]1CCN(C(=N)Nc2cc([N+](=O)[O-])cc(Br)[n+]2[O-])CC1 ZINC001168736048 850592503 /nfs/dbraw/zinc/59/25/03/850592503.db2.gz AHZQUYFHKOSRKQ-UHFFFAOYSA-N 1 1 359.184 0.585 20 5 FCBDMO CNC(=O)CN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169017517 850602027 /nfs/dbraw/zinc/60/20/27/850602027.db2.gz AEVRQZZKTQEDFF-ZQIUZPCESA-N 1 1 352.435 0.635 20 5 FCBDMO CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169020165 850602050 /nfs/dbraw/zinc/60/20/50/850602050.db2.gz KBVPHRRVMCQBRZ-NBFUAULTSA-N 1 1 355.435 0.768 20 5 FCBDMO O=C([C@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)O1)N1CCOCC1 ZINC001169023564 850602328 /nfs/dbraw/zinc/60/23/28/850602328.db2.gz PAODYYSISRYKGH-AALSBFMBSA-N 1 1 353.419 0.522 20 5 FCBDMO CCN(C(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001223114964 856898036 /nfs/dbraw/zinc/89/80/36/856898036.db2.gz YXJVWNJYAZXVAO-HUUCEWRRSA-N 1 1 352.435 0.491 20 5 FCBDMO COc1ccc(C(=O)NCC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC001303801610 866467065 /nfs/dbraw/zinc/46/70/65/866467065.db2.gz ORRVSTXKNIDRJT-PWSUYJOCSA-N 1 1 350.375 0.542 20 5 FCBDMO CC[N@H+]1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC001303981220 866484658 /nfs/dbraw/zinc/48/46/58/866484658.db2.gz QBIFOJQUMNDYNQ-NSHDSACASA-N 1 1 356.404 0.456 20 5 FCBDMO NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])c1 ZINC001307226159 866651415 /nfs/dbraw/zinc/65/14/15/866651415.db2.gz CKXUQIPZVARDBC-CHWSQXEVSA-N 1 1 370.431 0.278 20 5 FCBDMO NC(=O)c1cc(NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)ccc1[N+](=O)[O-] ZINC001307233957 866651760 /nfs/dbraw/zinc/65/17/60/866651760.db2.gz KOPNNKWESSFHQD-BLLLJJGKSA-N 1 1 350.375 0.331 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCNS(C)(=O)=O ZINC001322784729 868944780 /nfs/dbraw/zinc/94/47/80/868944780.db2.gz REBMEHRRCNJWRN-UHFFFAOYSA-N 1 1 374.419 0.413 20 5 FCBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292330492 214094600 /nfs/dbraw/zinc/09/46/00/214094600.db2.gz WGTRUZUCEJHPGW-KGLIPLIRSA-N 1 1 373.431 0.300 20 5 FCBDMO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000294034254 214219246 /nfs/dbraw/zinc/21/92/46/214219246.db2.gz RSQDTTIMRMTBQP-TXEJJXNPSA-N 1 1 370.431 0.424 20 5 FCBDMO COC[C@@]1(C(=O)OC)CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000296175396 214335308 /nfs/dbraw/zinc/33/53/08/214335308.db2.gz IAXXYIUZNOLKOM-RHSMWYFYSA-N 1 1 368.386 0.846 20 5 FCBDMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000265720710 210207153 /nfs/dbraw/zinc/20/71/53/210207153.db2.gz YYJLMSRQFRHVGU-UHFFFAOYSA-N 1 1 366.374 0.763 20 5 FCBDMO COc1ccc(C(=O)NCC(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000265552527 210163825 /nfs/dbraw/zinc/16/38/25/210163825.db2.gz TVZOFIYHKGCNTG-NSHDSACASA-N 1 1 350.375 0.401 20 5 FCBDMO Cc1c(C(=O)NCC[N@H+](C)C2CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000265432970 210133496 /nfs/dbraw/zinc/13/34/96/210133496.db2.gz WBISDXDGLNAPNM-UHFFFAOYSA-N 1 1 356.404 0.375 20 5 FCBDMO C[NH+]1CCN(C(=O)CCNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000265066122 210047067 /nfs/dbraw/zinc/04/70/67/210047067.db2.gz SEEFBZJISCMTED-UHFFFAOYSA-N 1 1 350.375 0.254 20 5 FCBDMO C[N@@H+]1CC=C(CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000283873522 213024421 /nfs/dbraw/zinc/02/44/21/213024421.db2.gz WJDONYDAUOHRQK-UHFFFAOYSA-N 1 1 353.400 0.990 20 5 FCBDMO COC[C@@H]1C[C@H](O)C[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000411913654 237099737 /nfs/dbraw/zinc/09/97/37/237099737.db2.gz RXZZVQIVEZAKHX-STQMWFEESA-N 1 1 351.359 0.974 20 5 FCBDMO C[C@](O)(CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000412171546 237177112 /nfs/dbraw/zinc/17/71/12/237177112.db2.gz SCQAPHKEUJYTGP-JZXOWHBKSA-N 1 1 363.414 0.898 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000366810020 216036827 /nfs/dbraw/zinc/03/68/27/216036827.db2.gz PTNALKLLMXNKHV-GJZGRUSLSA-N 1 1 362.386 0.821 20 5 FCBDMO NC(=O)C[C@@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000367982247 216187930 /nfs/dbraw/zinc/18/79/30/216187930.db2.gz IKLXLGUMAQJEFC-VIFPVBQESA-N 1 1 350.331 0.459 20 5 FCBDMO NC(=O)C[C@@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000367982247 216187934 /nfs/dbraw/zinc/18/79/34/216187934.db2.gz IKLXLGUMAQJEFC-VIFPVBQESA-N 1 1 350.331 0.459 20 5 FCBDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000369287143 216378786 /nfs/dbraw/zinc/37/87/86/216378786.db2.gz FHUPIOMBRVAICR-LBPRGKRZSA-N 1 1 370.431 0.937 20 5 FCBDMO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000369344915 216386946 /nfs/dbraw/zinc/38/69/46/216386946.db2.gz ROUUPOBHNRHQMG-GFCCVEGCSA-N 1 1 366.422 0.017 20 5 FCBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC[N@H+]1C ZINC000276998488 212315995 /nfs/dbraw/zinc/31/59/95/212315995.db2.gz WRFMSHCHFNWWCW-LLVKDONJSA-N 1 1 357.388 0.754 20 5 FCBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000185876938 209182939 /nfs/dbraw/zinc/18/29/39/209182939.db2.gz NQXNBJSIIOVKBH-CYBMUJFWSA-N 1 1 353.427 0.117 20 5 FCBDMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000275509224 212040178 /nfs/dbraw/zinc/04/01/78/212040178.db2.gz ZGRSLKYABAOICI-OLZOCXBDSA-N 1 1 364.402 0.238 20 5 FCBDMO C[NH+](C)C1CN(S(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)C1 ZINC000275491242 212036814 /nfs/dbraw/zinc/03/68/14/212036814.db2.gz YMFCPCQEZWUQEO-UHFFFAOYSA-N 1 1 370.387 0.486 20 5 FCBDMO CC[N@@H+](C)CCNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 ZINC000275329786 212009142 /nfs/dbraw/zinc/00/91/42/212009142.db2.gz ZEMDTKBJJPMJBI-UHFFFAOYSA-N 1 1 372.403 0.781 20 5 FCBDMO Cn1cc(N2CC[NH+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000182250917 209130135 /nfs/dbraw/zinc/13/01/35/209130135.db2.gz WBOCVCAEGNMINX-OAHLLOKOSA-N 1 1 361.402 0.890 20 5 FCBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000181216986 209109491 /nfs/dbraw/zinc/10/94/91/209109491.db2.gz GLILYIMYKGTRKI-AWEZNQCLSA-N 1 1 361.402 0.556 20 5 FCBDMO [NH3+]C1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CCN(Cc2ccccc2)CC1 ZINC000424018091 247160359 /nfs/dbraw/zinc/16/03/59/247160359.db2.gz IIMUWHKVTFZLBT-UHFFFAOYSA-N 1 1 372.429 0.901 20 5 FCBDMO C[C@@H](O)C[NH+]1CCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC1 ZINC000436439327 248042583 /nfs/dbraw/zinc/04/25/83/248042583.db2.gz MNHNPWKZAYCCQO-GFCCVEGCSA-N 1 1 372.447 0.348 20 5 FCBDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000442001532 248269501 /nfs/dbraw/zinc/26/95/01/248269501.db2.gz PFHPLOJTHPKCRO-LBPRGKRZSA-N 1 1 350.375 0.679 20 5 FCBDMO COc1cccc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c1[N+](=O)[O-] ZINC000444178431 248349788 /nfs/dbraw/zinc/34/97/88/248349788.db2.gz AKVXUZKCHQUTIM-GFCCVEGCSA-N 1 1 350.375 0.673 20 5 FCBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452346526 249310079 /nfs/dbraw/zinc/31/00/79/249310079.db2.gz GTRJCWAVWWBQFR-HNNXBMFYSA-N 1 1 364.402 0.288 20 5 FCBDMO Cc1nn(CCC(=O)NC[C@H]2CCC[N@H+]2CCCO)c(C)c1[N+](=O)[O-] ZINC000452347086 249310120 /nfs/dbraw/zinc/31/01/20/249310120.db2.gz IBDONGHAHQGEEA-CQSZACIVSA-N 1 1 353.423 0.761 20 5 FCBDMO COc1cc(OCC(=O)NC[C@H]2CCC[N@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000452351578 249311000 /nfs/dbraw/zinc/31/10/00/249311000.db2.gz QCEFDYBHAYVJKX-CYBMUJFWSA-N 1 1 367.402 0.945 20 5 FCBDMO Cc1c(NC(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000453933023 249391797 /nfs/dbraw/zinc/39/17/97/249391797.db2.gz LHEYLJMQLUVXSF-TXEJJXNPSA-N 1 1 364.402 0.755 20 5 FCBDMO Cc1c(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000453933023 249391803 /nfs/dbraw/zinc/39/18/03/249391803.db2.gz LHEYLJMQLUVXSF-TXEJJXNPSA-N 1 1 364.402 0.755 20 5 FCBDMO COc1cc(C[N@H+](C)C[C@H](O)CN2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000271181797 211352557 /nfs/dbraw/zinc/35/25/57/211352557.db2.gz HYXXYWLPHQSRJM-AWEZNQCLSA-N 1 1 369.418 0.737 20 5 FCBDMO COc1cc(C[N@@H+](C)C[C@H](O)CN2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000271181797 211352563 /nfs/dbraw/zinc/35/25/63/211352563.db2.gz HYXXYWLPHQSRJM-AWEZNQCLSA-N 1 1 369.418 0.737 20 5 FCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000270889447 211292866 /nfs/dbraw/zinc/29/28/66/211292866.db2.gz QAWDVDYDEFVAQA-NVXWUHKLSA-N 1 1 373.413 0.791 20 5 FCBDMO C[NH+]1CCN(C(=O)CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000270410740 211198675 /nfs/dbraw/zinc/19/86/75/211198675.db2.gz XMGPOXYOGLJDSQ-UHFFFAOYSA-N 1 1 363.418 0.601 20 5 FCBDMO CC[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](CC)CN1C(C)=O ZINC000472327452 250145890 /nfs/dbraw/zinc/14/58/90/250145890.db2.gz MDJKMQDISUTYFC-FMKPAKJESA-N 1 1 353.423 0.874 20 5 FCBDMO C[C@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000472607839 250166435 /nfs/dbraw/zinc/16/64/35/250166435.db2.gz NXDAVHATLHDDJX-LLVKDONJSA-N 1 1 368.365 0.757 20 5 FCBDMO CNC(=O)CCC[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000269810163 211084272 /nfs/dbraw/zinc/08/42/72/211084272.db2.gz AIGWKKZLFFZYTL-UHFFFAOYSA-N 1 1 352.347 0.720 20 5 FCBDMO CNC(=O)CCC[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000269810163 211084276 /nfs/dbraw/zinc/08/42/76/211084276.db2.gz AIGWKKZLFFZYTL-UHFFFAOYSA-N 1 1 352.347 0.720 20 5 FCBDMO Cn1cc[nH+]c1N1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000269725869 211056208 /nfs/dbraw/zinc/05/62/08/211056208.db2.gz VBTUSHOMVXJEMK-UHFFFAOYSA-N 1 1 373.369 0.868 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@H+](C)C1 ZINC000413895603 533002014 /nfs/dbraw/zinc/00/20/14/533002014.db2.gz FGYACFSPMXKLGF-LLVKDONJSA-N 1 1 365.342 0.500 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@@H+](C)C1 ZINC000413895603 533002018 /nfs/dbraw/zinc/00/20/18/533002018.db2.gz FGYACFSPMXKLGF-LLVKDONJSA-N 1 1 365.342 0.500 20 5 FCBDMO C[C@@H](O)CC[N@@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000072714537 208039653 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SGJWNQGOQMDDFA-BJJXKVORSA-N 1 1 369.443 0.743 20 5 FCBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000266760038 210398411 /nfs/dbraw/zinc/39/84/11/210398411.db2.gz SXAIASMHSOUJOG-GFCCVEGCSA-N 1 1 373.431 0.983 20 5 FCBDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000266684853 210381862 /nfs/dbraw/zinc/38/18/62/210381862.db2.gz UHRRCTJCPCDSQQ-LBPRGKRZSA-N 1 1 350.375 0.679 20 5 FCBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[N@H+](CCO)C[C@@H]2C)c1F ZINC000413861246 533216225 /nfs/dbraw/zinc/21/62/25/533216225.db2.gz OADFFEVJRRHMHH-NSHDSACASA-N 1 1 355.366 0.810 20 5 FCBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)c1F ZINC000413861246 533216229 /nfs/dbraw/zinc/21/62/29/533216229.db2.gz OADFFEVJRRHMHH-NSHDSACASA-N 1 1 355.366 0.810 20 5 FCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000179323802 209075936 /nfs/dbraw/zinc/07/59/36/209075936.db2.gz VJNNSYZVHKVLML-GDBMZVCRSA-N 1 1 359.386 0.543 20 5 FCBDMO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173740462 229210168 /nfs/dbraw/zinc/21/01/68/229210168.db2.gz HNFZZNDGHQLKLW-ZFWWWQNUSA-N 1 1 363.374 0.526 20 5 FCBDMO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173740462 229210173 /nfs/dbraw/zinc/21/01/73/229210173.db2.gz HNFZZNDGHQLKLW-ZFWWWQNUSA-N 1 1 363.374 0.526 20 5 FCBDMO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000278273586 488864818 /nfs/dbraw/zinc/86/48/18/488864818.db2.gz JJZOAYBQHVUJSO-SWLSCSKDSA-N 1 1 367.402 0.540 20 5 FCBDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000278273586 488864820 /nfs/dbraw/zinc/86/48/20/488864820.db2.gz JJZOAYBQHVUJSO-SWLSCSKDSA-N 1 1 367.402 0.540 20 5 FCBDMO Cc1c(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000327521300 488920148 /nfs/dbraw/zinc/92/01/48/488920148.db2.gz NUNJWEWYKOZYAK-JTQLQIEISA-N 1 1 368.415 0.517 20 5 FCBDMO CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CC[NH+](C)CC1 ZINC000055092905 488235903 /nfs/dbraw/zinc/23/59/03/488235903.db2.gz PMWKFJSMZAATMK-NSHDSACASA-N 1 1 370.431 0.813 20 5 FCBDMO Cc1[nH+]ccn1CCCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000056122547 488252825 /nfs/dbraw/zinc/25/28/25/488252825.db2.gz QZMMYGGERGWNTD-UHFFFAOYSA-N 1 1 371.353 0.902 20 5 FCBDMO CNC(=O)C[NH+]1CCC(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000067810823 488356205 /nfs/dbraw/zinc/35/62/05/488356205.db2.gz LVQKWHFMEQPFRF-UHFFFAOYSA-N 1 1 364.402 0.473 20 5 FCBDMO C[C@@H]1C[NH+](C[C@H](O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)C[C@@H](C)O1 ZINC000072032076 488377645 /nfs/dbraw/zinc/37/76/45/488377645.db2.gz KHTFSSWEIJXDBN-BZPMIXESSA-N 1 1 362.386 0.775 20 5 FCBDMO O=c1[nH]cnc2cc(N3CC[C@@H](C[NH+]4CCOCC4)C3)c([N+](=O)[O-])cc12 ZINC000078403924 488422474 /nfs/dbraw/zinc/42/24/74/488422474.db2.gz MAIBBIQFVGIABH-LBPRGKRZSA-N 1 1 359.386 0.990 20 5 FCBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H](O)CN1CCOCC1 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/nfs/dbraw/zinc/53/54/75/488535475.db2.gz ISJNVYKSYUYFDX-LLVKDONJSA-N 1 1 353.379 0.196 20 5 FCBDMO COC(=O)CC[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)[C@H](C)C1 ZINC000271653963 488535477 /nfs/dbraw/zinc/53/54/77/488535477.db2.gz ISJNVYKSYUYFDX-LLVKDONJSA-N 1 1 353.379 0.196 20 5 FCBDMO COCC[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H](C)C(N)=O ZINC000117340241 488550819 /nfs/dbraw/zinc/55/08/19/488550819.db2.gz ONGWIMQLHWSMEB-NSHDSACASA-N 1 1 366.374 0.715 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000569962452 491206707 /nfs/dbraw/zinc/20/67/07/491206707.db2.gz YCGLOZIIOJHFON-PMPSAXMXSA-N 1 1 353.423 0.120 20 5 FCBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272380001 488577074 /nfs/dbraw/zinc/57/70/74/488577074.db2.gz FNGHVAGMDSMQIE-CQSZACIVSA-N 1 1 363.418 0.850 20 5 FCBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC(C)(C)CN1CCOCC1 ZINC000123607552 488586152 /nfs/dbraw/zinc/58/61/52/488586152.db2.gz VCNLPZXGPQPKAP-HNNXBMFYSA-N 1 1 355.439 0.442 20 5 FCBDMO Cc1cc(C(=O)NCC(=O)NCC[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC000273089925 488630937 /nfs/dbraw/zinc/63/09/37/488630937.db2.gz RJAJUJLUXOCHED-UHFFFAOYSA-N 1 1 366.443 0.798 20 5 FCBDMO CN1CC[NH+](Cc2ccc(C(=O)NCCn3cc([N+](=O)[O-])cn3)cc2)CC1 ZINC000129972384 488634875 /nfs/dbraw/zinc/63/48/75/488634875.db2.gz WKQQVYGBAVVNFP-UHFFFAOYSA-N 1 1 372.429 0.969 20 5 FCBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000263974304 488640475 /nfs/dbraw/zinc/64/04/75/488640475.db2.gz WYLMVUVPSKWZAH-CQSZACIVSA-N 1 1 363.418 0.850 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000133355911 488659262 /nfs/dbraw/zinc/65/92/62/488659262.db2.gz VSNYEGYNCJCMOY-OAHLLOKOSA-N 1 1 366.466 0.878 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000264459662 488676385 /nfs/dbraw/zinc/67/63/85/488676385.db2.gz DVTGNQIDMBFTOU-ZDUSSCGKSA-N 1 1 360.374 0.541 20 5 FCBDMO COCC[N@H+]1CC[C@H](NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000264482505 488678046 /nfs/dbraw/zinc/67/80/46/488678046.db2.gz HZMZQANQSTXNBI-JSGCOSHPSA-N 1 1 364.402 0.550 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000273997118 488678279 /nfs/dbraw/zinc/67/82/79/488678279.db2.gz KGLZNAQORVKTCZ-YGRLFVJLSA-N 1 1 363.374 0.987 20 5 FCBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000264567106 488686348 /nfs/dbraw/zinc/68/63/48/488686348.db2.gz RTVRQMBCLCFZIB-OAHLLOKOSA-N 1 1 363.418 0.730 20 5 FCBDMO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000143998467 488691724 /nfs/dbraw/zinc/69/17/24/488691724.db2.gz PTIUCUKXHUFPCT-LLVKDONJSA-N 1 1 360.370 0.673 20 5 FCBDMO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264671298 488696617 /nfs/dbraw/zinc/69/66/17/488696617.db2.gz AXBXCFCWTYEIGR-LLVKDONJSA-N 1 1 350.375 0.342 20 5 FCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264671298 488696619 /nfs/dbraw/zinc/69/66/19/488696619.db2.gz AXBXCFCWTYEIGR-LLVKDONJSA-N 1 1 350.375 0.342 20 5 FCBDMO COCCC[N@@H+](C)CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000152426421 488717918 /nfs/dbraw/zinc/71/79/18/488717918.db2.gz LJTKNJWXARJGDK-UHFFFAOYSA-N 1 1 362.390 0.874 20 5 FCBDMO Cc1c(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000266871842 488739343 /nfs/dbraw/zinc/73/93/43/488739343.db2.gz XYFWTWAGJVNUFO-VIFPVBQESA-N 1 1 370.431 0.763 20 5 FCBDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000266966012 488748658 /nfs/dbraw/zinc/74/86/58/488748658.db2.gz VNUAIQJKTMHGGB-GFCCVEGCSA-N 1 1 367.406 0.586 20 5 FCBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000274970706 488749481 /nfs/dbraw/zinc/74/94/81/488749481.db2.gz NMBKLXGAPDNFRM-LBPRGKRZSA-N 1 1 365.390 0.368 20 5 FCBDMO CCOc1ccc(NC(=O)C[NH2+][C@@H](CO)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000275142881 488766107 /nfs/dbraw/zinc/76/61/07/488766107.db2.gz FAIPOAKZBGHCFG-AWEZNQCLSA-N 1 1 363.374 0.989 20 5 FCBDMO C[C@](O)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)C[NH+]1CCOCC1 ZINC000158336976 488777472 /nfs/dbraw/zinc/77/74/72/488777472.db2.gz MRLQKHUWLNXXSP-INIZCTEOSA-N 1 1 355.366 0.476 20 5 FCBDMO CCCc1n[nH]c(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000160104455 488789433 /nfs/dbraw/zinc/78/94/33/488789433.db2.gz RGSQGTTYRPTNEO-GFCCVEGCSA-N 1 1 352.439 0.884 20 5 FCBDMO CC(C)OCC[NH+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000161582004 488797915 /nfs/dbraw/zinc/79/79/15/488797915.db2.gz PXKHAVOQKFSNBC-UHFFFAOYSA-N 1 1 354.411 0.544 20 5 FCBDMO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162106694 488800883 /nfs/dbraw/zinc/80/08/83/488800883.db2.gz RMQQPVSGFDHEHE-DOMZBBRYSA-N 1 1 356.448 0.803 20 5 FCBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162106694 488800885 /nfs/dbraw/zinc/80/08/85/488800885.db2.gz RMQQPVSGFDHEHE-DOMZBBRYSA-N 1 1 356.448 0.803 20 5 FCBDMO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162106694 488800888 /nfs/dbraw/zinc/80/08/88/488800888.db2.gz RMQQPVSGFDHEHE-DOMZBBRYSA-N 1 1 356.448 0.803 20 5 FCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2ccc(CO)o2)c1 ZINC000174314669 488848583 /nfs/dbraw/zinc/84/85/83/488848583.db2.gz NAQBNBUWKDQRJP-UHFFFAOYSA-N 1 1 355.372 0.748 20 5 FCBDMO Cc1nn(CCC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000174333442 488848792 /nfs/dbraw/zinc/84/87/92/488848792.db2.gz ONUSFFOPSAFGMF-NWDGAFQWSA-N 1 1 353.423 0.712 20 5 FCBDMO CNC(=O)[C@]1(C)CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000280504958 489014605 /nfs/dbraw/zinc/01/46/05/489014605.db2.gz BMLIJKWTOVAXCN-MRXNPFEDSA-N 1 1 364.358 0.720 20 5 FCBDMO CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000280504958 489014609 /nfs/dbraw/zinc/01/46/09/489014609.db2.gz BMLIJKWTOVAXCN-MRXNPFEDSA-N 1 1 364.358 0.720 20 5 FCBDMO Cc1nn(CCC(=O)NCCC[N@H+](C)CCN(C)C)c(C)c1[N+](=O)[O-] ZINC000288774063 489015099 /nfs/dbraw/zinc/01/50/99/489015099.db2.gz VIBUXQXDUXLVPJ-UHFFFAOYSA-N 1 1 354.455 0.798 20 5 FCBDMO Cc1nn(CCC(=O)NCCCN(C)CC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000288774063 489015102 /nfs/dbraw/zinc/01/51/02/489015102.db2.gz VIBUXQXDUXLVPJ-UHFFFAOYSA-N 1 1 354.455 0.798 20 5 FCBDMO COC(=O)c1cnc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000365107928 489039009 /nfs/dbraw/zinc/03/90/09/489039009.db2.gz AHBIXTOKMCUCIM-TZMCWYRMSA-N 1 1 350.375 0.812 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000365337133 489064934 /nfs/dbraw/zinc/06/49/34/489064934.db2.gz PKAPEHRGBRLQPZ-HNNXBMFYSA-N 1 1 364.450 0.728 20 5 FCBDMO CCC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)N(C)C1=O ZINC000282621127 489179339 /nfs/dbraw/zinc/17/93/39/489179339.db2.gz ZVAZCJNAQBJYAQ-TZMCWYRMSA-N 1 1 365.386 0.804 20 5 FCBDMO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCS(=O)(=O)C1 ZINC000298105713 489291587 /nfs/dbraw/zinc/29/15/87/489291587.db2.gz UOGKIOBICKSGAJ-JTQLQIEISA-N 1 1 361.445 0.847 20 5 FCBDMO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000298111519 489292339 /nfs/dbraw/zinc/29/23/39/489292339.db2.gz YRHUPQQKBYBOKM-KGLIPLIRSA-N 1 1 358.416 0.844 20 5 FCBDMO CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000298111519 489292342 /nfs/dbraw/zinc/29/23/42/489292342.db2.gz YRHUPQQKBYBOKM-KGLIPLIRSA-N 1 1 358.416 0.844 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CC(n3cc(-c4ccccc4)nn3)C2)c1 ZINC000369988948 489301596 /nfs/dbraw/zinc/30/15/96/489301596.db2.gz XHSZNRMJGDIBRZ-MRXNPFEDSA-N 1 1 369.385 0.968 20 5 FCBDMO C[C@@H](CNc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-])[NH+](C)C ZINC000298327594 489317571 /nfs/dbraw/zinc/31/75/71/489317571.db2.gz VKHXSKXXXBXDHK-LBPRGKRZSA-N 1 1 373.479 0.797 20 5 FCBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000298731327 489358113 /nfs/dbraw/zinc/35/81/13/489358113.db2.gz SNYRZFIXHPVUGP-UHFFFAOYSA-N 1 1 366.422 0.194 20 5 FCBDMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000298731327 489358116 /nfs/dbraw/zinc/35/81/16/489358116.db2.gz SNYRZFIXHPVUGP-UHFFFAOYSA-N 1 1 366.422 0.194 20 5 FCBDMO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(=O)[nH]n1 ZINC000286181144 489365632 /nfs/dbraw/zinc/36/56/32/489365632.db2.gz QVYCHEMBDNLRIM-JTQLQIEISA-N 1 1 367.387 0.307 20 5 FCBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000299003036 489393114 /nfs/dbraw/zinc/39/31/14/489393114.db2.gz MUHWMLBFYOLJCR-UHFFFAOYSA-N 1 1 353.354 0.256 20 5 FCBDMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363026241 489413439 /nfs/dbraw/zinc/41/34/39/489413439.db2.gz AANDYLBOSKEXAO-NWDGAFQWSA-N 1 1 372.381 0.934 20 5 FCBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363096196 489423214 /nfs/dbraw/zinc/42/32/14/489423214.db2.gz ZVIUKYLECDCVAT-HUUCEWRRSA-N 1 1 362.386 0.304 20 5 FCBDMO COc1ccc(CNC(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000287041973 489454902 /nfs/dbraw/zinc/45/49/02/489454902.db2.gz FQRLNJFPJGRZGB-GFCCVEGCSA-N 1 1 352.391 0.811 20 5 FCBDMO CNS(=O)(=O)[C@@H]1CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000363350255 489455964 /nfs/dbraw/zinc/45/59/64/489455964.db2.gz WGJLSFBYJGMUNN-CYBMUJFWSA-N 1 1 373.431 0.996 20 5 FCBDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000363350255 489455966 /nfs/dbraw/zinc/45/59/66/489455966.db2.gz WGJLSFBYJGMUNN-CYBMUJFWSA-N 1 1 373.431 0.996 20 5 FCBDMO CCN1CC[NH+](CCC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000427820465 489622397 /nfs/dbraw/zinc/62/23/97/489622397.db2.gz VHGQQPLRZQIVKB-UHFFFAOYSA-N 1 1 364.450 0.982 20 5 FCBDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475725145 489845098 /nfs/dbraw/zinc/84/50/98/489845098.db2.gz XPCPLVWQMDUGBH-NSHDSACASA-N 1 1 353.375 0.961 20 5 FCBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000476371566 489882830 /nfs/dbraw/zinc/88/28/30/489882830.db2.gz COBBUBPZPDLMLB-CYBMUJFWSA-N 1 1 350.423 0.570 20 5 FCBDMO COc1cc(OCC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000377511956 489912350 /nfs/dbraw/zinc/91/23/50/489912350.db2.gz LYBBXMXDNGQUQR-OCCSQVGLSA-N 1 1 365.386 0.962 20 5 FCBDMO Cc1c(CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000478774750 490036789 /nfs/dbraw/zinc/03/67/89/490036789.db2.gz SRBLCNGBHRKMFV-UHFFFAOYSA-N 1 1 363.418 0.867 20 5 FCBDMO COc1cccc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000444134483 490079700 /nfs/dbraw/zinc/07/97/00/490079700.db2.gz WBOZMFHGMKJKRV-LBPRGKRZSA-N 1 1 364.402 0.921 20 5 FCBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000378619787 490116344 /nfs/dbraw/zinc/11/63/44/490116344.db2.gz JGKWUYOLHVONHE-GXTWGEPZSA-N 1 1 370.431 0.278 20 5 FCBDMO CCN1CCC([N@@H+]2CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000422003398 490126064 /nfs/dbraw/zinc/12/60/64/490126064.db2.gz CVHINBDKPQBURP-UHFFFAOYSA-N 1 1 364.450 0.810 20 5 FCBDMO CCN1CCC([N@H+]2CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000422003398 490126068 /nfs/dbraw/zinc/12/60/68/490126068.db2.gz CVHINBDKPQBURP-UHFFFAOYSA-N 1 1 364.450 0.810 20 5 FCBDMO CNc1nccc(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000571342834 491302368 /nfs/dbraw/zinc/30/23/68/491302368.db2.gz LGJYURDKFLZGBQ-UHFFFAOYSA-N 1 1 350.423 0.787 20 5 FCBDMO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533379632 490223977 /nfs/dbraw/zinc/22/39/77/490223977.db2.gz WZSAKFLPYODMNN-ZYHUDNBSSA-N 1 1 362.390 0.853 20 5 FCBDMO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533379632 490223978 /nfs/dbraw/zinc/22/39/78/490223978.db2.gz WZSAKFLPYODMNN-ZYHUDNBSSA-N 1 1 362.390 0.853 20 5 FCBDMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533379630 490224068 /nfs/dbraw/zinc/22/40/68/490224068.db2.gz WZSAKFLPYODMNN-JQWIXIFHSA-N 1 1 362.390 0.853 20 5 FCBDMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533379630 490224070 /nfs/dbraw/zinc/22/40/70/490224070.db2.gz WZSAKFLPYODMNN-JQWIXIFHSA-N 1 1 362.390 0.853 20 5 FCBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000564490675 491310427 /nfs/dbraw/zinc/31/04/27/491310427.db2.gz JADCOYWGEQJTAU-SMDDNHRTSA-N 1 1 351.359 0.568 20 5 FCBDMO C[C@](O)(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C[NH+]1CCOCC1 ZINC000467486887 490298353 /nfs/dbraw/zinc/29/83/53/490298353.db2.gz QWXADHGPUKGECE-HNNXBMFYSA-N 1 1 356.354 0.129 20 5 FCBDMO C[C@@](O)(CNC(=O)COc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000467492291 490300453 /nfs/dbraw/zinc/30/04/53/490300453.db2.gz BVUDANRTKOTTIX-MRXNPFEDSA-N 1 1 353.375 0.173 20 5 FCBDMO C[C@](O)(CNC(=O)CSc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000467502504 490304409 /nfs/dbraw/zinc/30/44/09/490304409.db2.gz LIYDUHMLGGPNIA-INIZCTEOSA-N 1 1 369.443 0.886 20 5 FCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000467712475 490333912 /nfs/dbraw/zinc/33/39/12/490333912.db2.gz ZQWOIDKGYQCYAO-BXUZGUMPSA-N 1 1 374.397 0.919 20 5 FCBDMO C[C@@H](O)C(=O)N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000498918242 490366242 /nfs/dbraw/zinc/36/62/42/490366242.db2.gz MKJXINHLZUASSS-GFCCVEGCSA-N 1 1 350.375 0.448 20 5 FCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(C(=O)CO)CC1 ZINC000534751581 490405428 /nfs/dbraw/zinc/40/54/28/490405428.db2.gz HWHHZVQAVRDBMM-UHFFFAOYSA-N 1 1 350.375 0.368 20 5 FCBDMO Cc1c(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000468959802 490468906 /nfs/dbraw/zinc/46/89/06/490468906.db2.gz OBAVOSAMTNCQIX-VIFPVBQESA-N 1 1 356.404 0.327 20 5 FCBDMO Cc1c(C(=O)N2CC[N@H+](C)C[C@@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000468959802 490468910 /nfs/dbraw/zinc/46/89/10/490468910.db2.gz OBAVOSAMTNCQIX-VIFPVBQESA-N 1 1 356.404 0.327 20 5 FCBDMO Cc1c(C(=O)N2CC[N@@H+](C)C[C@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000468959668 490469875 /nfs/dbraw/zinc/46/98/75/490469875.db2.gz OBAVOSAMTNCQIX-SECBINFHSA-N 1 1 356.404 0.327 20 5 FCBDMO Cc1c(C(=O)N2CC[N@H+](C)C[C@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000468959668 490469881 /nfs/dbraw/zinc/46/98/81/490469881.db2.gz OBAVOSAMTNCQIX-SECBINFHSA-N 1 1 356.404 0.327 20 5 FCBDMO COc1ccc(C(=O)NCC(=O)NCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000523623615 490478305 /nfs/dbraw/zinc/47/83/05/490478305.db2.gz QCIZLKWIXMLVGZ-UHFFFAOYSA-N 1 1 352.391 0.790 20 5 FCBDMO O=C(NCCCCN1CC[NH+](CCO)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000535381260 490486459 /nfs/dbraw/zinc/48/64/59/490486459.db2.gz BXAYFTVMWCQLTN-UHFFFAOYSA-N 1 1 368.409 0.854 20 5 FCBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000523698805 490487341 /nfs/dbraw/zinc/48/73/41/490487341.db2.gz LLOAQCCUEOAUEF-UHFFFAOYSA-N 1 1 364.358 0.217 20 5 FCBDMO CNS(=O)(=O)c1ccc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000450789164 490490431 /nfs/dbraw/zinc/49/04/31/490490431.db2.gz ISTNWOHIDDRDBI-TXEJJXNPSA-N 1 1 372.447 0.394 20 5 FCBDMO CNS(=O)(=O)c1ccc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000450789164 490490432 /nfs/dbraw/zinc/49/04/32/490490432.db2.gz ISTNWOHIDDRDBI-TXEJJXNPSA-N 1 1 372.447 0.394 20 5 FCBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000571824194 491331174 /nfs/dbraw/zinc/33/11/74/491331174.db2.gz NJDZOFGEVQYWPE-MWLCHTKSSA-N 1 1 368.415 0.597 20 5 FCBDMO C[C@H]1CC[NH2+]CC[C@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422980075 490510310 /nfs/dbraw/zinc/51/03/10/490510310.db2.gz KRMDBAGIOYDDJW-QWHCGFSZSA-N 1 1 356.448 0.851 20 5 FCBDMO C[C@@H]1CC[NH2+]CC[C@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422980073 490510467 /nfs/dbraw/zinc/51/04/67/490510467.db2.gz KRMDBAGIOYDDJW-CHWSQXEVSA-N 1 1 356.448 0.851 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC[N@@H+](C)C1 ZINC000413907025 490512346 /nfs/dbraw/zinc/51/23/46/490512346.db2.gz SKHMPCDKJYSOLC-ZDUSSCGKSA-N 1 1 365.386 0.845 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+](C)C1 ZINC000413916771 490516376 /nfs/dbraw/zinc/51/63/76/490516376.db2.gz JIRVLHVESISCBR-JTQLQIEISA-N 1 1 361.358 0.648 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+](C)C1 ZINC000413916771 490516385 /nfs/dbraw/zinc/51/63/85/490516385.db2.gz JIRVLHVESISCBR-JTQLQIEISA-N 1 1 361.358 0.648 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+](C)C1 ZINC000413917490 490516615 /nfs/dbraw/zinc/51/66/15/490516615.db2.gz JZECUCPAWPXUOO-NSHDSACASA-N 1 1 353.379 0.090 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@@H+](C)C1 ZINC000413917490 490516622 /nfs/dbraw/zinc/51/66/22/490516622.db2.gz JZECUCPAWPXUOO-NSHDSACASA-N 1 1 353.379 0.090 20 5 FCBDMO C[C@@H](C[C@H]1COCC[NH2+]1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423034871 490525821 /nfs/dbraw/zinc/52/58/21/490525821.db2.gz IRABTKKMBUPLEJ-STQMWFEESA-N 1 1 357.432 0.725 20 5 FCBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000548714566 490534857 /nfs/dbraw/zinc/53/48/57/490534857.db2.gz QSBQSWOXHGGHFR-LBPRGKRZSA-N 1 1 350.423 0.575 20 5 FCBDMO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000414072933 490535775 /nfs/dbraw/zinc/53/57/75/490535775.db2.gz FGTGPEFNYZMVBY-LLVKDONJSA-N 1 1 353.404 0.957 20 5 FCBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000485625010 490549933 /nfs/dbraw/zinc/54/99/33/490549933.db2.gz IKZIEUCUNVYJFU-CQSZACIVSA-N 1 1 363.418 0.850 20 5 FCBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000485977365 490578114 /nfs/dbraw/zinc/57/81/14/490578114.db2.gz HKHLGQAEMINLAT-CYBMUJFWSA-N 1 1 350.350 0.770 20 5 FCBDMO C[N@@H+]1CCO[C@H](C(=O)NCCCNc2ncnc3ccc([N+](=O)[O-])cc32)C1 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ZINC000609279298 492203092 /nfs/dbraw/zinc/20/30/92/492203092.db2.gz ZNIACFLUDFSXMV-LBPRGKRZSA-N 1 1 373.431 0.993 20 5 FCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000599759543 492205606 /nfs/dbraw/zinc/20/56/06/492205606.db2.gz DKBHAUHZWSKLFV-MRXNPFEDSA-N 1 1 363.349 0.716 20 5 FCBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000600097541 492244196 /nfs/dbraw/zinc/24/41/96/492244196.db2.gz ARBBXYQNSPVZRC-LBPRGKRZSA-N 1 1 350.375 0.333 20 5 FCBDMO COc1ccc(S(=O)(=O)NCC[NH+]2CCC(OC)CC2)c([N+](=O)[O-])c1 ZINC000610574631 492252845 /nfs/dbraw/zinc/25/28/45/492252845.db2.gz NSMAYMYVXHYXIP-UHFFFAOYSA-N 1 1 373.431 0.993 20 5 FCBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000619483652 492265262 /nfs/dbraw/zinc/26/52/62/492265262.db2.gz ZSLSULDIRWDQJH-UHFFFAOYSA-N 1 1 369.403 0.881 20 5 FCBDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619486940 492265658 /nfs/dbraw/zinc/26/56/58/492265658.db2.gz MCRZKBOYDYCEIT-UHFFFAOYSA-N 1 1 361.420 0.850 20 5 FCBDMO COCC[NH+]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000619566190 492269631 /nfs/dbraw/zinc/26/96/31/492269631.db2.gz YYDHULAJHNDBLQ-UHFFFAOYSA-N 1 1 364.402 0.505 20 5 FCBDMO CC[N@H+]1CCN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000611100996 492278394 /nfs/dbraw/zinc/27/83/94/492278394.db2.gz VTNJLWABBMBCSF-GFCCVEGCSA-N 1 1 364.402 0.886 20 5 FCBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000611521028 492289515 /nfs/dbraw/zinc/28/95/15/492289515.db2.gz BQFSFNNBXTVEME-IUODEOHRSA-N 1 1 374.397 0.873 20 5 FCBDMO O=C(NC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000947488347 674357971 /nfs/dbraw/zinc/35/79/71/674357971.db2.gz NUEXRMGWIFUQFH-ZIAGYGMSSA-N 1 1 350.419 0.387 20 5 FCBDMO CCc1[nH]nc(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000444260778 535999356 /nfs/dbraw/zinc/99/93/56/535999356.db2.gz BZWHGPVHHOJZQL-UHFFFAOYSA-N 1 1 366.422 0.410 20 5 FCBDMO CN(C)S(=O)(=O)CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440496388 536075626 /nfs/dbraw/zinc/07/56/26/536075626.db2.gz RWMLWEHWQKDROP-LBPRGKRZSA-N 1 1 357.436 0.758 20 5 FCBDMO O=C1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000591747774 546940015 /nfs/dbraw/zinc/94/00/15/546940015.db2.gz GZMJNLHHJMRGGC-NSHDSACASA-N 1 1 353.400 0.721 20 5 FCBDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000592202329 546946636 /nfs/dbraw/zinc/94/66/36/546946636.db2.gz FGMORYOTUYWNTO-AGIUHOORSA-N 1 1 354.359 0.190 20 5 FCBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000592204919 546946762 /nfs/dbraw/zinc/94/67/62/546946762.db2.gz BJBRCRVOKPLGPU-MRVWCRGKSA-N 1 1 354.359 0.190 20 5 FCBDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000592204920 546946791 /nfs/dbraw/zinc/94/67/91/546946791.db2.gz BJBRCRVOKPLGPU-XBFCOCLRSA-N 1 1 354.359 0.190 20 5 FCBDMO CCc1ccc(S(=O)(=O)N2CCC[NH2+]C[C@@H]2C(=O)OC)cc1[N+](=O)[O-] ZINC000592388408 546949770 /nfs/dbraw/zinc/94/97/70/546949770.db2.gz JMVBTJMYJADOKR-CQSZACIVSA-N 1 1 371.415 0.683 20 5 FCBDMO C[C@@H]1[C@H](C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000592787252 546956878 /nfs/dbraw/zinc/95/68/78/546956878.db2.gz KSOLBKHMEXBXCD-BXUZGUMPSA-N 1 1 355.416 0.825 20 5 FCBDMO COCC[N@@H+](C)C[C@H](O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000594008637 546995302 /nfs/dbraw/zinc/99/53/02/546995302.db2.gz XPNJOUURLPWUON-AWEZNQCLSA-N 1 1 353.423 0.051 20 5 FCBDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594768352 547007902 /nfs/dbraw/zinc/00/79/02/547007902.db2.gz KNXAXHYFHDMNOI-OAHLLOKOSA-N 1 1 366.399 0.488 20 5 FCBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)C[C@H](C)O1 ZINC000221858688 567881435 /nfs/dbraw/zinc/88/14/35/567881435.db2.gz KHTFSSWEIJXDBN-MBNYWOFBSA-N 1 1 362.386 0.775 20 5 FCBDMO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)C[C@H](C)O1 ZINC000221858688 567881437 /nfs/dbraw/zinc/88/14/37/567881437.db2.gz KHTFSSWEIJXDBN-MBNYWOFBSA-N 1 1 362.386 0.775 20 5 FCBDMO CN(C(=O)C(C)(C)[NH+]1CCCCC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954346298 674494238 /nfs/dbraw/zinc/49/42/38/674494238.db2.gz ZIBSXWPSTNZCRL-ZIAGYGMSSA-N 1 1 352.435 0.585 20 5 FCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](CCN1CCCC1=O)C2 ZINC000981764555 664838818 /nfs/dbraw/zinc/83/88/18/664838818.db2.gz SJFRAVLBDHCIEO-ZIAGYGMSSA-N 1 1 350.419 0.198 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CCN1CCCC1=O)C2 ZINC000981764555 664838822 /nfs/dbraw/zinc/83/88/22/664838822.db2.gz SJFRAVLBDHCIEO-ZIAGYGMSSA-N 1 1 350.419 0.198 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](CCN1CCCC1=O)C2 ZINC000981764555 664838827 /nfs/dbraw/zinc/83/88/27/664838827.db2.gz SJFRAVLBDHCIEO-ZIAGYGMSSA-N 1 1 350.419 0.198 20 5 FCBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000894957852 664994354 /nfs/dbraw/zinc/99/43/54/664994354.db2.gz KWEPXQJKUPHOJC-UHFFFAOYSA-N 1 1 350.404 0.810 20 5 FCBDMO CC1CC[NH+](CC(=O)N2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000947988969 666586740 /nfs/dbraw/zinc/58/67/40/666586740.db2.gz CXOOUPBULJZBEE-HUUCEWRRSA-N 1 1 352.435 0.491 20 5 FCBDMO O=C(C[NH+]1CCCC1)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000944940177 666872925 /nfs/dbraw/zinc/87/29/25/666872925.db2.gz HLTSSYBDFALZEB-ZIAGYGMSSA-N 1 1 350.419 0.198 20 5 FCBDMO Cc1csc(=O)n1CC[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996439180 666920337 /nfs/dbraw/zinc/92/03/37/666920337.db2.gz CONNGHRXRVPYDX-CHWSQXEVSA-N 1 1 354.432 0.464 20 5 FCBDMO CC(C)n1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC000997771969 667175069 /nfs/dbraw/zinc/17/50/69/667175069.db2.gz KBBAJQJKJFREJU-HUUCEWRRSA-N 1 1 350.423 0.852 20 5 FCBDMO C[C@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000754361849 667593876 /nfs/dbraw/zinc/59/38/76/667593876.db2.gz YLKNHTWNNPFVHH-JTQLQIEISA-N 1 1 352.366 0.903 20 5 FCBDMO Cc1nc(C)n(CC[NH+]2CCC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001005374229 667738694 /nfs/dbraw/zinc/73/86/94/667738694.db2.gz CUJHOIHQPUKBEF-HUUCEWRRSA-N 1 1 350.423 0.483 20 5 FCBDMO O=[N+]([O-])c1cccc(F)c1CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923434584 667835353 /nfs/dbraw/zinc/83/53/53/667835353.db2.gz UIVCEXFQOHEHRJ-UHFFFAOYSA-N 1 1 358.395 0.153 20 5 FCBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923434494 667835388 /nfs/dbraw/zinc/83/53/88/667835388.db2.gz QJBCPUSFUCCXBK-LBPRGKRZSA-N 1 1 354.432 0.575 20 5 FCBDMO CCOC(=O)c1ccnc(NCC(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000737411356 667869432 /nfs/dbraw/zinc/86/94/32/667869432.db2.gz RVMMIDCKFWXFHU-UHFFFAOYSA-N 1 1 351.363 0.352 20 5 FCBDMO CN(C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1)S(C)(=O)=O ZINC000776589035 668275156 /nfs/dbraw/zinc/27/51/56/668275156.db2.gz YYFFNRBTBJJOAV-OAHLLOKOSA-N 1 1 357.432 0.984 20 5 FCBDMO Cc1[nH+]ccn1CCOC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000771970413 668284638 /nfs/dbraw/zinc/28/46/38/668284638.db2.gz SLVANYHDKIUAKL-UHFFFAOYSA-N 1 1 368.371 0.913 20 5 FCBDMO COc1cc(C(=O)NC2CC[NH+](CC(N)=O)CC2)cc([N+](=O)[O-])c1C ZINC000790249792 668873688 /nfs/dbraw/zinc/87/36/88/668873688.db2.gz JSTOSZQKKNOVPX-UHFFFAOYSA-N 1 1 350.375 0.591 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000823927517 669366706 /nfs/dbraw/zinc/36/67/06/669366706.db2.gz ZVOBHBBAHMYKRQ-SNVBAGLBSA-N 1 1 351.363 0.746 20 5 FCBDMO COCC[N@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[C@@H]1C ZINC000826628866 669505001 /nfs/dbraw/zinc/50/50/01/669505001.db2.gz GBMMYKJTSFPCHD-TXEJJXNPSA-N 1 1 372.447 0.788 20 5 FCBDMO COCC[N@@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[C@@H]1C ZINC000826628866 669505005 /nfs/dbraw/zinc/50/50/05/669505005.db2.gz GBMMYKJTSFPCHD-TXEJJXNPSA-N 1 1 372.447 0.788 20 5 FCBDMO COCC[N@@H+]1[C@H](C)CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000826633153 669505886 /nfs/dbraw/zinc/50/58/86/669505886.db2.gz PKFRTPBWADPAAK-TXEJJXNPSA-N 1 1 372.447 0.788 20 5 FCBDMO C[NH+](C)C[C@H](CO)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000809340921 669619768 /nfs/dbraw/zinc/61/97/68/669619768.db2.gz MRTQUOCUYZOLSI-MRVPVSSYSA-N 1 1 353.347 0.926 20 5 FCBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815033642 669896399 /nfs/dbraw/zinc/89/63/99/669896399.db2.gz NVPAAFBCTQQQRK-UHFFFAOYSA-N 1 1 369.802 0.980 20 5 FCBDMO CON(C)C(=O)CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000815265051 669906398 /nfs/dbraw/zinc/90/63/98/669906398.db2.gz ITPXNWMEZMXRAW-UHFFFAOYSA-N 1 1 350.375 0.763 20 5 FCBDMO NC(=O)C[C@H]1COCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000832751143 669922038 /nfs/dbraw/zinc/92/20/38/669922038.db2.gz NHDOXZNBYYBOEC-NSHDSACASA-N 1 1 354.338 0.639 20 5 FCBDMO NC(=O)C[C@H]1COCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000832751143 669922041 /nfs/dbraw/zinc/92/20/41/669922041.db2.gz NHDOXZNBYYBOEC-NSHDSACASA-N 1 1 354.338 0.639 20 5 FCBDMO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000842165643 670643018 /nfs/dbraw/zinc/64/30/18/670643018.db2.gz CRBISVIGECSNOR-UONOGXRCSA-N 1 1 351.359 0.382 20 5 FCBDMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000842165643 670643025 /nfs/dbraw/zinc/64/30/25/670643025.db2.gz CRBISVIGECSNOR-UONOGXRCSA-N 1 1 351.359 0.382 20 5 FCBDMO O=C1OCCN1[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000852438361 671507563 /nfs/dbraw/zinc/50/75/63/671507563.db2.gz PFFYYTRLKBXWKN-CHWSQXEVSA-N 1 1 351.359 0.861 20 5 FCBDMO NC(=O)C1([NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000852494232 671510440 /nfs/dbraw/zinc/51/04/40/671510440.db2.gz YEGOUWGTNIWBDG-UHFFFAOYSA-N 1 1 356.766 0.811 20 5 FCBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000862205269 672038436 /nfs/dbraw/zinc/03/84/36/672038436.db2.gz DTGOKBOFHWFOSL-JTQLQIEISA-N 1 1 356.766 0.370 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000862648671 672061900 /nfs/dbraw/zinc/06/19/00/672061900.db2.gz BKYMFMOJYUCFTC-LBPRGKRZSA-N 1 1 353.354 0.386 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000862648706 672061942 /nfs/dbraw/zinc/06/19/42/672061942.db2.gz CRABSWRUXNWXOO-KBPBESRZSA-N 1 1 350.375 0.084 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000868865568 672413130 /nfs/dbraw/zinc/41/31/30/672413130.db2.gz KNFNDFFYBZPGGH-LBPRGKRZSA-N 1 1 353.350 0.840 20 5 FCBDMO O=C(NCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cscn1 ZINC001055543580 676023403 /nfs/dbraw/zinc/02/34/03/676023403.db2.gz CXFMKPLFVMHTLS-DGCLKSJQSA-N 1 1 367.431 0.119 20 5 FCBDMO CSCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055574898 676024610 /nfs/dbraw/zinc/02/46/10/676024610.db2.gz CPDNLQJKRODQTK-CHWSQXEVSA-N 1 1 358.464 0.102 20 5 FCBDMO CC(F)(F)CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575083 676024762 /nfs/dbraw/zinc/02/47/62/676024762.db2.gz LLJXJJDPWDITQM-VXGBXAGGSA-N 1 1 362.377 0.394 20 5 FCBDMO C[NH+](C)Cc1ccccc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973255724 1182143305 /nfs/dbraw/zinc/14/33/05/1182143305.db2.gz JPNZKETWBIGPQS-RRCSTGOVSA-N 1 1 360.414 0.790 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC(n2cc(C[NH2+]CCc3ccccc3)nn2)C1 ZINC001105235876 1183149568 /nfs/dbraw/zinc/14/95/68/1183149568.db2.gz XOMKDBYEAIBBJN-IAGOWNOFSA-N 1 1 370.413 0.659 20 5 FCBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccnn1C1CCCC1 ZINC001126936414 1194601854 /nfs/dbraw/zinc/60/18/54/1194601854.db2.gz GOJURJAZIJRMER-CHWSQXEVSA-N 1 1 364.406 0.308 20 5 FCBDMO CCOc1cccc(CNC(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001126936922 1194609913 /nfs/dbraw/zinc/60/99/13/1194609913.db2.gz WZABUDKZDJJIPI-HUUCEWRRSA-N 1 1 364.402 0.073 20 5 FCBDMO O=C1C[C@H]([N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000594660275 1196734138 /nfs/dbraw/zinc/73/41/38/1196734138.db2.gz MLIQLFALBIDKND-UGFHNGPFSA-N 1 1 372.381 0.827 20 5 FCBDMO O=C1C[C@H]([N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000594660275 1196734150 /nfs/dbraw/zinc/73/41/50/1196734150.db2.gz MLIQLFALBIDKND-UGFHNGPFSA-N 1 1 372.381 0.827 20 5 FCBDMO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000743375581 1198264655 /nfs/dbraw/zinc/26/46/55/1198264655.db2.gz UGNWUYZGPDAXJS-CQSZACIVSA-N 1 1 374.397 0.945 20 5 FCBDMO COC(=O)[C@H]1[C@@H]2C[N@H+]([C@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000793698806 1201258001 /nfs/dbraw/zinc/25/80/01/1201258001.db2.gz IBSKNNVOZPUFSV-SFDCQRBFSA-N 1 1 359.338 0.578 20 5 FCBDMO COC(=O)[C@H]1[C@@H]2C[N@@H+]([C@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000793698806 1201258003 /nfs/dbraw/zinc/25/80/03/1201258003.db2.gz IBSKNNVOZPUFSV-SFDCQRBFSA-N 1 1 359.338 0.578 20 5 FCBDMO COCC(COC)[NH+]1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823927302 1203279972 /nfs/dbraw/zinc/27/99/72/1203279972.db2.gz RRTVDWMQOZAOJI-UHFFFAOYSA-N 1 1 367.406 0.988 20 5 FCBDMO CC(C)(C)n1nnnc1C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178458541 1206357691 /nfs/dbraw/zinc/35/76/91/1206357691.db2.gz KUTAZPHYHULGRU-CHWSQXEVSA-N 1 1 367.454 0.860 20 5 FCBDMO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000853551083 1209597631 /nfs/dbraw/zinc/59/76/31/1209597631.db2.gz SIHWHCXAMPEKMM-CYBMUJFWSA-N 1 1 360.370 0.555 20 5 FCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(N3CC[NH+](C)CC3)CC2)n1 ZINC000866213563 1209993859 /nfs/dbraw/zinc/99/38/59/1209993859.db2.gz SJNVTMONRJOYKT-UHFFFAOYSA-N 1 1 363.418 0.993 20 5 FCBDMO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000866711019 1210004012 /nfs/dbraw/zinc/00/40/12/1210004012.db2.gz ZSMBEGVSNHMBIV-BJJXKVORSA-N 1 1 362.386 0.841 20 5 FCBDMO C[N@@H+](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCC1 ZINC000952734399 1212974796 /nfs/dbraw/zinc/97/47/96/1212974796.db2.gz IVGFVVJQCYWDAK-QKPAOTATSA-N 1 1 364.446 0.728 20 5 FCBDMO C[N@H+](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC000952734399 1212974802 /nfs/dbraw/zinc/97/48/02/1212974802.db2.gz IVGFVVJQCYWDAK-QKPAOTATSA-N 1 1 364.446 0.728 20 5 FCBDMO C[N@@H+](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC000952734399 1212974805 /nfs/dbraw/zinc/97/48/05/1212974805.db2.gz IVGFVVJQCYWDAK-QKPAOTATSA-N 1 1 364.446 0.728 20 5 FCBDMO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000795705396 1213276477 /nfs/dbraw/zinc/27/64/77/1213276477.db2.gz ZCHKXQKNFILLRW-CHWSQXEVSA-N 1 1 374.397 0.943 20 5 FCBDMO CC(C)(C(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)[NH+]1CCCC1 ZINC001019014172 1214178883 /nfs/dbraw/zinc/17/88/83/1214178883.db2.gz USECRNLOJAPWBV-ZIAGYGMSSA-N 1 1 364.446 0.587 20 5 FCBDMO O=C(c1ccc2c[nH+]cn2c1)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001019188692 1214215933 /nfs/dbraw/zinc/21/59/33/1214215933.db2.gz CPCBONBOVIZGCP-HUUCEWRRSA-N 1 1 369.381 0.674 20 5 FCBDMO Cn1nccc1CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001040700309 1214567902 /nfs/dbraw/zinc/56/79/02/1214567902.db2.gz LUXDMYHCEVUVAY-HZPDHXFCSA-N 1 1 361.446 0.942 20 5 FCBDMO C[NH+]1CCC(C(=O)NC[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000963968762 1214881023 /nfs/dbraw/zinc/88/10/23/1214881023.db2.gz UQCWJQCPKGOADX-DTZQCDIJSA-N 1 1 366.462 0.785 20 5 FCBDMO CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccc2c[nH+]cn2c1 ZINC001067389604 1217397823 /nfs/dbraw/zinc/39/78/23/1217397823.db2.gz HFYZFIBOPMSHNF-HUUCEWRRSA-N 1 1 359.386 0.920 20 5 FCBDMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802238359 1218219708 /nfs/dbraw/zinc/21/97/08/1218219708.db2.gz GWYKAZHDJXNMQN-JTQLQIEISA-N 1 1 365.317 0.778 20 5 FCBDMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802238359 1218219712 /nfs/dbraw/zinc/21/97/12/1218219712.db2.gz GWYKAZHDJXNMQN-JTQLQIEISA-N 1 1 365.317 0.778 20 5 FCBDMO O=C(C[NH+]1CCCC1)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001053818915 1218892787 /nfs/dbraw/zinc/89/27/87/1218892787.db2.gz CFTGFZOTAIKCDX-YIDVYQOGSA-N 1 1 364.446 0.633 20 5 FCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@@H+](CCO)Cc2ccc(F)cn2)CC1 ZINC001098365339 1219766855 /nfs/dbraw/zinc/76/68/55/1219766855.db2.gz KOFBJSRWIIAWFF-HZPDHXFCSA-N 1 1 366.393 0.671 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@H+](CCO)Cc2ccc(F)cn2)CC1 ZINC001098365339 1219766859 /nfs/dbraw/zinc/76/68/59/1219766859.db2.gz KOFBJSRWIIAWFF-HZPDHXFCSA-N 1 1 366.393 0.671 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@@H+](CCO)Cc2ccc(F)cn2)CC1 ZINC001098365339 1219766862 /nfs/dbraw/zinc/76/68/62/1219766862.db2.gz KOFBJSRWIIAWFF-HZPDHXFCSA-N 1 1 366.393 0.671 20 5 FCBDMO Cn1nnnc1C[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001101540229 1220377530 /nfs/dbraw/zinc/37/75/30/1220377530.db2.gz ALDNPCZFQUGDDN-CHWSQXEVSA-N 1 1 365.438 0.230 20 5 FCBDMO C[C@@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@H+]1CCO ZINC000836865707 1222630279 /nfs/dbraw/zinc/63/02/79/1222630279.db2.gz PKQVXVPGZVCBHX-BETUJISGSA-N 1 1 361.402 0.858 20 5 FCBDMO C[C@@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@@H+]1CCO ZINC000836865707 1222630285 /nfs/dbraw/zinc/63/02/85/1222630285.db2.gz PKQVXVPGZVCBHX-BETUJISGSA-N 1 1 361.402 0.858 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000840499981 1222789575 /nfs/dbraw/zinc/78/95/75/1222789575.db2.gz JMAWNJRJYFTTCE-LLVKDONJSA-N 1 1 366.330 0.680 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000840499981 1222789580 /nfs/dbraw/zinc/78/95/80/1222789580.db2.gz JMAWNJRJYFTTCE-LLVKDONJSA-N 1 1 366.330 0.680 20 5 FCBDMO Cc1ccccc1CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157774866 1223081976 /nfs/dbraw/zinc/08/19/76/1223081976.db2.gz DVJRBZOBBVPBFK-HZPDHXFCSA-N 1 1 362.430 0.415 20 5 FCBDMO COc1nc(C)nc(NCc2cc(=O)n3c(n2)C[NH2+]CCC3)c1[N+](=O)[O-] ZINC001163111994 1223226104 /nfs/dbraw/zinc/22/61/04/1223226104.db2.gz MVRFRMKOKPJVCS-UHFFFAOYSA-N 1 1 361.362 0.364 20 5 FCBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000920906417 1245633357 /nfs/dbraw/zinc/63/33/57/1245633357.db2.gz CUYQDDDNLVTHDC-LBPRGKRZSA-N 1 1 367.406 0.586 20 5 FCBDMO O=C([C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCNCC1 ZINC000923283767 1245705819 /nfs/dbraw/zinc/70/58/19/1245705819.db2.gz YCVKKXNNEBRXSK-RDJZCZTQSA-N 1 1 362.430 0.772 20 5 FCBDMO O=C([C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCNCC1 ZINC000923283767 1245705829 /nfs/dbraw/zinc/70/58/29/1245705829.db2.gz YCVKKXNNEBRXSK-RDJZCZTQSA-N 1 1 362.430 0.772 20 5 FCBDMO C[N@H+]1CC[C@H]1CNC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000925425565 1245738822 /nfs/dbraw/zinc/73/88/22/1245738822.db2.gz SHCIAOZYANXEEN-ZDUSSCGKSA-N 1 1 361.402 0.766 20 5 FCBDMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC001327974381 1265465041 /nfs/dbraw/zinc/46/50/41/1265465041.db2.gz QXCURQRVJZNCJW-CYBMUJFWSA-N 1 1 364.402 0.820 20 5 FCBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC001005374646 1253538813 /nfs/dbraw/zinc/53/88/13/1253538813.db2.gz GUXIDRLTDXHAPC-HZPDHXFCSA-N 1 1 360.414 0.874 20 5 FCBDMO CC(C)CN(C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001200471347 1259415369 /nfs/dbraw/zinc/41/53/69/1259415369.db2.gz FJVSFABGWLZMBN-HZPDHXFCSA-N 1 1 366.462 0.879 20 5 FCBDMO CC[N@H+]1CCCN(C(=O)C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC001257352967 1260012166 /nfs/dbraw/zinc/01/21/66/1260012166.db2.gz FNZAAJFQICRGJZ-UHFFFAOYSA-N 1 1 364.402 0.774 20 5 FCBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001345117983 1261637502 /nfs/dbraw/zinc/63/75/02/1261637502.db2.gz PDDHPJOWPDBXJS-CQSZACIVSA-N 1 1 360.414 0.854 20 5 FCBDMO C[NH+]1CCN(C2CCN(c3nnc(C[N+](=O)[O-])n3CC3CC3)CC2)CC1 ZINC001345150160 1261641677 /nfs/dbraw/zinc/64/16/77/1261641677.db2.gz CLJIDHHAKKNRMZ-UHFFFAOYSA-N 1 1 363.466 0.681 20 5 FCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001345332773 1261675368 /nfs/dbraw/zinc/67/53/68/1261675368.db2.gz CWONFXZQPQYARW-MLGOLLRUSA-N 1 1 360.414 0.852 20 5 FCBDMO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001305854630 1263171615 /nfs/dbraw/zinc/17/16/15/1263171615.db2.gz GLKJZXLGSPVJJR-SUMWQHHRSA-N 1 1 365.386 0.316 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001313007381 1263295833 /nfs/dbraw/zinc/29/58/33/1263295833.db2.gz DDZHPRORXLODTH-HNNXBMFYSA-N 1 1 361.402 0.960 20 5 FCBDMO C[C@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC001313427281 1263316410 /nfs/dbraw/zinc/31/64/10/1263316410.db2.gz ZQWDWDCTXUTFHQ-BBRMVZONSA-N 1 1 364.450 0.940 20 5 FCBDMO C[C@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC001313427281 1263316419 /nfs/dbraw/zinc/31/64/19/1263316419.db2.gz ZQWDWDCTXUTFHQ-BBRMVZONSA-N 1 1 364.450 0.940 20 5 FCBDMO C[C@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC001313427281 1263316433 /nfs/dbraw/zinc/31/64/33/1263316433.db2.gz ZQWDWDCTXUTFHQ-BBRMVZONSA-N 1 1 364.450 0.940 20 5 FCBDMO Cc1nn(C)c(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC001318212387 1263551679 /nfs/dbraw/zinc/55/16/79/1263551679.db2.gz GVMNRQYHLSLUJJ-UHFFFAOYSA-N 1 1 364.450 0.925 20 5 FCBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cn1 ZINC001319592421 1263710768 /nfs/dbraw/zinc/71/07/68/1263710768.db2.gz XCEOFTDAENEQOW-UHFFFAOYSA-N 1 1 368.353 0.962 20 5 FCBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001321646251 1264022432 /nfs/dbraw/zinc/02/24/32/1264022432.db2.gz LYKVJFHXGWGHGJ-LSDHHAIUSA-N 1 1 360.414 0.997 20 5 FCBDMO C[C@H](NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC001323429499 1264428796 /nfs/dbraw/zinc/42/87/96/1264428796.db2.gz WJMBLKXXXNGASJ-WFASDCNBSA-N 1 1 364.402 0.089 20 5 FCBDMO C[C@H](NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC001323429499 1264428801 /nfs/dbraw/zinc/42/88/01/1264428801.db2.gz WJMBLKXXXNGASJ-WFASDCNBSA-N 1 1 364.402 0.089 20 5 FCBDMO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC001325293844 1264838936 /nfs/dbraw/zinc/83/89/36/1264838936.db2.gz MTUJAGJIKWNIGS-UHFFFAOYSA-N 1 1 360.414 0.950 20 5 FCBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001325913068 1265021947 /nfs/dbraw/zinc/02/19/47/1265021947.db2.gz CGQNJHCTWCNSPY-AWEZNQCLSA-N 1 1 358.398 0.832 20 5 FCBDMO COCC[NH+]1CCN(c2nnc(-c3cc([N+](=O)[O-])ccc3N)n2C)CC1 ZINC001514983877 1265390928 /nfs/dbraw/zinc/39/09/28/1265390928.db2.gz FOXLGTRATKDLJC-UHFFFAOYSA-N 1 1 361.406 0.741 20 5 FCBDMO C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC001327742694 1265411211 /nfs/dbraw/zinc/41/12/11/1265411211.db2.gz VZCFHXGGOBLETR-SWLSCSKDSA-N 1 1 363.418 0.134 20 5 FCBDMO C[NH+](C)CCN1CCC(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001340912815 1268707268 /nfs/dbraw/zinc/70/72/68/1268707268.db2.gz SOJOOKUEQZUVAO-UHFFFAOYSA-N 1 1 365.434 0.146 20 5 FCBDMO COCCn1c(C[N+](=O)[O-])nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001342292976 1269422082 /nfs/dbraw/zinc/42/20/82/1269422082.db2.gz BNYQPZDJHMFSOD-ZDUSSCGKSA-N 1 1 354.411 0.002 20 5 FCBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CCc2nc[nH]c2[C@@]12CC[NH2+]C2 ZINC001580562181 1278488075 /nfs/dbraw/zinc/48/80/75/1278488075.db2.gz LERFXZGKBWRGLT-KRWDZBQOSA-N 1 1 357.370 0.970 20 5 FCBDMO CC1(C)CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CC[N@H+]1CCO ZINC001575730018 1272398766 /nfs/dbraw/zinc/39/87/66/1272398766.db2.gz XQYQEZFFFKNVIF-UHFFFAOYSA-N 1 1 362.394 0.250 20 5 FCBDMO CC[NH+]1CCN(C(=O)CNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC001590734766 1283771272 /nfs/dbraw/zinc/77/12/72/1283771272.db2.gz BIUUVTHYVYHMCD-UHFFFAOYSA-N 1 1 360.378 0.351 20 5 FCBDMO CCNC(=O)C[N@@H+]1CCCN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 ZINC001590740097 1283784536 /nfs/dbraw/zinc/78/45/36/1283784536.db2.gz CONHLQYPUUVGPR-UHFFFAOYSA-N 1 1 374.405 0.423 20 5 FCBDMO CCNC(=O)C[N@H+]1CCCN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 ZINC001590740097 1283784541 /nfs/dbraw/zinc/78/45/41/1283784541.db2.gz CONHLQYPUUVGPR-UHFFFAOYSA-N 1 1 374.405 0.423 20 5 FCBDMO C[NH+]1CCN(CC2CN(c3cc(-c4nn[nH]n4)ccc3[N+](=O)[O-])C2)CC1 ZINC001591193298 1284310331 /nfs/dbraw/zinc/31/03/31/1284310331.db2.gz PAIHQYCUQQTYFU-UHFFFAOYSA-N 1 1 358.406 0.459 20 5 FCBDMO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC001592740507 1285659198 /nfs/dbraw/zinc/65/91/98/1285659198.db2.gz LBQJFZUEKBGJCE-RKDXNWHRSA-N 1 1 367.391 0.323 20 5 FCBDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC[C@@H]2N1 ZINC001593393873 1286114169 /nfs/dbraw/zinc/11/41/69/1286114169.db2.gz ODXLNWQJYVRHMD-YPMHNXCESA-N 1 1 357.374 0.875 20 5 FCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC001607077995 1288649967 /nfs/dbraw/zinc/64/99/67/1288649967.db2.gz XJNPPFMVZMXBHE-CYBMUJFWSA-N 1 1 373.417 0.929 20 5 FCBDMO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001607077066 1288650269 /nfs/dbraw/zinc/65/02/69/1288650269.db2.gz KEFBISFYBGUVRN-NEPJUHHUSA-N 1 1 360.378 0.205 20 5 FCBDMO CCC[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001609215717 1288991806 /nfs/dbraw/zinc/99/18/06/1288991806.db2.gz AIPKIVLQNXINDA-UHFFFAOYSA-N 1 1 355.380 0.053 20 5 FCBDMO Cc1nc(CC[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)cs1 ZINC001699882134 1289568734 /nfs/dbraw/zinc/56/87/34/1289568734.db2.gz CWZRZIXGHNYFPO-ZIAGYGMSSA-N 1 1 368.459 0.914 20 5 FCBDMO Cc1ccsc1CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001754514319 1290629461 /nfs/dbraw/zinc/62/94/61/1290629461.db2.gz ZKEMMIBWRPDYQF-VXGBXAGGSA-N 1 1 366.443 0.576 20 5 FCBDMO O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)Nc1ccc(O)cc1 ZINC001688902663 1294548851 /nfs/dbraw/zinc/54/88/51/1294548851.db2.gz GMXRKIZSUKWHRL-DZGBDDFRSA-N 1 1 362.386 0.480 20 5 FCBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001689651287 1294820103 /nfs/dbraw/zinc/82/01/03/1294820103.db2.gz MKHMTSJZEMXUNC-HUUCEWRRSA-N 1 1 352.435 0.587 20 5 FCBDMO COc1nc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nc(OC)c1[N+](=O)[O-] ZINC001165038508 721909506 /nfs/dbraw/zinc/90/95/06/721909506.db2.gz LTHCZALZTKKTPR-NSHDSACASA-N 1 1 353.379 0.703 20 5 FCBDMO CC[NH+](CC)CC(=O)NC1(CC)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001069368520 837528635 /nfs/dbraw/zinc/52/86/35/837528635.db2.gz VZRAYTSERXNYGM-ZIAGYGMSSA-N 1 1 354.451 0.881 20 5 FCBDMO CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060737005 836670338 /nfs/dbraw/zinc/67/03/38/836670338.db2.gz GZMGXDPFCCRZQX-KBUPBQIOSA-N 1 1 354.451 0.785 20 5 FCBDMO O=C(CC[NH+]1CCCCC1)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062989286 836747021 /nfs/dbraw/zinc/74/70/21/836747021.db2.gz YACWBSAQFOQNND-ZIAGYGMSSA-N 1 1 352.435 0.683 20 5 FCBDMO O=C(CCC[NH+]1CCCC1)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001063339124 836764169 /nfs/dbraw/zinc/76/41/69/836764169.db2.gz WARSMYSOIMUACF-ZIAGYGMSSA-N 1 1 352.435 0.683 20 5 FCBDMO CC1(C)CC[N@@H+](CC(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)C1 ZINC001064553626 836798403 /nfs/dbraw/zinc/79/84/03/836798403.db2.gz FASBGKDPDZRIMP-CHWSQXEVSA-N 1 1 352.435 0.539 20 5 FCBDMO CC1(C)CC[N@H+](CC(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)C1 ZINC001064553626 836798412 /nfs/dbraw/zinc/79/84/12/836798412.db2.gz FASBGKDPDZRIMP-CHWSQXEVSA-N 1 1 352.435 0.539 20 5 FCBDMO CC1(C)CC[N@@H+](CC(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)C1 ZINC001064553626 836798419 /nfs/dbraw/zinc/79/84/19/836798419.db2.gz FASBGKDPDZRIMP-CHWSQXEVSA-N 1 1 352.435 0.539 20 5 FCBDMO CCN(CC1CCN(C(=O)CC[NH+](C)C)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001081121079 839880860 /nfs/dbraw/zinc/88/08/60/839880860.db2.gz XOAIQIALXBZGNA-HUUCEWRRSA-N 1 1 354.451 0.690 20 5 FCBDMO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cc(CO)ccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086084613 842119691 /nfs/dbraw/zinc/11/96/91/842119691.db2.gz YFJUYXZIGHTNJW-UZMCECQYSA-N 1 1 351.378 0.968 20 5 FCBDMO CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001122731417 848534284 /nfs/dbraw/zinc/53/42/84/848534284.db2.gz NLYQMSPBCHXOGG-AWEZNQCLSA-N 1 1 352.439 0.869 20 5 FCBDMO CC/C=C\CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001131353950 849096163 /nfs/dbraw/zinc/09/61/63/849096163.db2.gz JYVVMIZEDOJZIR-LPUOJRKPSA-N 1 1 352.435 0.658 20 5 FCBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCc1ccc(F)cc1 ZINC001157767322 849991636 /nfs/dbraw/zinc/99/16/36/849991636.db2.gz LBHVVWWYIGAWRQ-ZIAGYGMSSA-N 1 1 352.366 0.203 20 5 FCBDMO CCc1nc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])sc1C ZINC001157767038 849991973 /nfs/dbraw/zinc/99/19/73/849991973.db2.gz DVFBPXDALRGCDV-ZYHUDNBSSA-N 1 1 369.447 0.714 20 5 FCBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1cc(F)cc(F)c1 ZINC001157774863 849993209 /nfs/dbraw/zinc/99/32/09/849993209.db2.gz DSLOUAGILONTHQ-CHWSQXEVSA-N 1 1 356.329 0.664 20 5 FCBDMO CCN(CC)C(=O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160097444 850154171 /nfs/dbraw/zinc/15/41/71/850154171.db2.gz JFNXXKDXUWZDIT-HUUCEWRRSA-N 1 1 352.435 0.658 20 5 FCBDMO C[NH+](C)/C=C/c1cc(NCCN2CCCS2(=O)=O)ncc1[N+](=O)[O-] ZINC001162782729 850329803 /nfs/dbraw/zinc/32/98/03/850329803.db2.gz XHYCIBDRUUIJBF-QPJJXVBHSA-N 1 1 355.420 0.970 20 5 FCBDMO Cc1csc(=O)n1CC[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164494790 850413553 /nfs/dbraw/zinc/41/35/53/850413553.db2.gz SEVIZFAMKRJYJA-CHWSQXEVSA-N 1 1 368.459 0.760 20 5 FCBDMO O=C(C[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NCC1CCC1 ZINC001164491063 850414262 /nfs/dbraw/zinc/41/42/62/850414262.db2.gz ZDMLDZDNLJWRSO-ZIAGYGMSSA-N 1 1 352.435 0.444 20 5 FCBDMO CCN1C[C@@]23C[N@H+]([C@H]4CC[C@@H](C[N+](=O)[O-])C4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001169017970 850602120 /nfs/dbraw/zinc/60/21/20/850602120.db2.gz BCSFSFZKRWQIML-SEBNEYGDSA-N 1 1 359.448 0.309 20 5 FCBDMO C[NH+]1CCN(C(=O)CO[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)CC1 ZINC001222543995 856850777 /nfs/dbraw/zinc/85/07/77/856850777.db2.gz XOAZWMMXXWGNSC-OAHLLOKOSA-N 1 1 351.359 0.524 20 5 FCBDMO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3nc(C)[nH]c(=O)c3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001229378233 857266683 /nfs/dbraw/zinc/26/66/83/857266683.db2.gz GKLPKQAYEXOWLM-NNYUYHANSA-N 1 1 352.347 0.944 20 5 FCBDMO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3nc(C)[nH]c(=O)c3[N+](=O)[O-])C[C@H]1[N@H+]2C ZINC001229378233 857266690 /nfs/dbraw/zinc/26/66/90/857266690.db2.gz GKLPKQAYEXOWLM-NNYUYHANSA-N 1 1 352.347 0.944 20 5 FCBDMO O=[N+]([O-])c1cnc2c(Cl)cccc2c1NC[C@@]1(CO)COCC[NH2+]1 ZINC001307201863 866648400 /nfs/dbraw/zinc/64/84/00/866648400.db2.gz YVIGPXGOUCZJNX-OAHLLOKOSA-N 1 1 352.778 0.981 20 5 FCBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001309825192 866913984 /nfs/dbraw/zinc/91/39/84/866913984.db2.gz OFTVZCZSAAQRDU-LSDHHAIUSA-N 1 1 369.443 0.987 20 5 FCBDMO C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC001356584823 868029697 /nfs/dbraw/zinc/02/96/97/868029697.db2.gz OKRZFIPWFUPSMN-LSDHHAIUSA-N 1 1 352.435 0.560 20 5 FCBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001347496616 872359012 /nfs/dbraw/zinc/35/90/12/872359012.db2.gz KBRNNDCSOMCPGQ-GFCCVEGCSA-N 1 1 366.443 0.966 20 5 FCBDMO CNS(=O)(=O)c1ccc(N[C@H]2CCC[N@@H+](CCCO)C2)c([N+](=O)[O-])c1 ZINC000294862939 214267239 /nfs/dbraw/zinc/26/72/39/214267239.db2.gz CIFCVPSBSGIUGS-LBPRGKRZSA-N 1 1 372.447 0.762 20 5 FCBDMO CNS(=O)(=O)N1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000296040794 214328141 /nfs/dbraw/zinc/32/81/41/214328141.db2.gz SPVDAFZTTQRDEO-UHFFFAOYSA-N 1 1 358.420 0.446 20 5 FCBDMO COc1cc(S(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000296246044 214339360 /nfs/dbraw/zinc/33/93/60/214339360.db2.gz PBQRWZOWODAJTK-LBPRGKRZSA-N 1 1 373.431 0.729 20 5 FCBDMO COc1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000296246044 214339363 /nfs/dbraw/zinc/33/93/63/214339363.db2.gz PBQRWZOWODAJTK-LBPRGKRZSA-N 1 1 373.431 0.729 20 5 FCBDMO C[C@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000296874207 214367244 /nfs/dbraw/zinc/36/72/44/214367244.db2.gz ZYKUUFWVZCCLKU-VIFPVBQESA-N 1 1 361.358 0.108 20 5 FCBDMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000265449899 210138650 /nfs/dbraw/zinc/13/86/50/210138650.db2.gz KIRSUPUJMCIZAJ-AWEZNQCLSA-N 1 1 373.417 0.513 20 5 FCBDMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000265363306 210106605 /nfs/dbraw/zinc/10/66/05/210106605.db2.gz GCODSVQLISCLKS-UHFFFAOYSA-N 1 1 354.363 0.236 20 5 FCBDMO Cc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1[N+](=O)[O-] ZINC000265213332 210073854 /nfs/dbraw/zinc/07/38/54/210073854.db2.gz FABYOUTVYZAJGF-GOEBONIOSA-N 1 1 369.443 0.491 20 5 FCBDMO Cc1cc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000265189722 210071129 /nfs/dbraw/zinc/07/11/29/210071129.db2.gz GXAWHSPISCPUAL-AWEZNQCLSA-N 1 1 370.431 0.521 20 5 FCBDMO Cc1cc(S(=O)(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000265189722 210071132 /nfs/dbraw/zinc/07/11/32/210071132.db2.gz GXAWHSPISCPUAL-AWEZNQCLSA-N 1 1 370.431 0.521 20 5 FCBDMO CN(C)c1[nH+]cc(CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)n1C ZINC000265015758 210039394 /nfs/dbraw/zinc/03/93/94/210039394.db2.gz HMVSYEYXKISZSA-UHFFFAOYSA-N 1 1 370.373 0.905 20 5 FCBDMO 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670771437 /nfs/dbraw/zinc/77/14/37/670771437.db2.gz HADJFZKFWWAVAJ-UHFFFAOYSA-N 1 1 354.432 0.322 20 5 FCBDMO O=C1OCCN1[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000852438364 671507427 /nfs/dbraw/zinc/50/74/27/671507427.db2.gz PFFYYTRLKBXWKN-STQMWFEESA-N 1 1 351.359 0.861 20 5 FCBDMO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCC[N@H+]1CC[C@@H](O)C1 ZINC000858812750 671777405 /nfs/dbraw/zinc/77/74/05/671777405.db2.gz SKIKCQSJIQUUOL-SNVBAGLBSA-N 1 1 354.319 0.768 20 5 FCBDMO C[C@H](C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)NC(=O)OC(C)(C)C ZINC000860093475 671869759 /nfs/dbraw/zinc/86/97/59/671869759.db2.gz BVDKCCURFQVVDN-DGCLKSJQSA-N 1 1 357.411 0.997 20 5 FCBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861708705 671982513 /nfs/dbraw/zinc/98/25/13/671982513.db2.gz BVYMWGDSJJSOAD-NWDGAFQWSA-N 1 1 353.350 0.780 20 5 FCBDMO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCC[N@@H+]1CC[C@H](O)C1 ZINC000863833544 672158488 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SUULNXRSXNDCPH-WRWGMCAJSA-N 1 1 351.363 0.071 20 5 FCBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2nc3ccccc3c(=O)[nH]2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983656183 1188249744 /nfs/dbraw/zinc/24/97/44/1188249744.db2.gz ZCAXCEAFKCSFNU-NLRBGTRBSA-N 1 1 371.397 0.985 20 5 FCBDMO COC(=O)C(C(=O)OC)c1ncc(NC2C[NH+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001168315601 1193744882 /nfs/dbraw/zinc/74/48/82/1193744882.db2.gz SDDKSSPDUPTJAF-UHFFFAOYSA-N 1 1 366.374 0.924 20 5 FCBDMO CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000899139417 1194115308 /nfs/dbraw/zinc/11/53/08/1194115308.db2.gz GZCBDELDYNYCLH-JKSUJKDBSA-N 1 1 360.414 0.979 20 5 FCBDMO COc1ccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1OC ZINC001126936283 1194602156 /nfs/dbraw/zinc/60/21/56/1194602156.db2.gz DZNDJXXLIBBCCL-VXGBXAGGSA-N 1 1 366.374 0.013 20 5 FCBDMO Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n(C(C)(C)C)n1 ZINC001126939172 1194626850 /nfs/dbraw/zinc/62/68/50/1194626850.db2.gz PWVFNVJFAAMVOI-VXGBXAGGSA-N 1 1 366.422 0.256 20 5 FCBDMO Cn1cc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593855424 1196826700 /nfs/dbraw/zinc/82/67/00/1196826700.db2.gz PRCIWYKMMPAXBL-OAHLLOKOSA-N 1 1 371.397 0.886 20 5 FCBDMO Cn1cc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593855424 1196826701 /nfs/dbraw/zinc/82/67/01/1196826701.db2.gz PRCIWYKMMPAXBL-OAHLLOKOSA-N 1 1 371.397 0.886 20 5 FCBDMO CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001169026683 1199045219 /nfs/dbraw/zinc/04/52/19/1199045219.db2.gz YRTMXPVHSNIWKJ-WCXIOVBPSA-N 1 1 368.478 0.543 20 5 FCBDMO CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001169026683 1199045223 /nfs/dbraw/zinc/04/52/23/1199045223.db2.gz YRTMXPVHSNIWKJ-WCXIOVBPSA-N 1 1 368.478 0.543 20 5 FCBDMO CN(C)C(=O)CN1CCO[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001169026683 1199045227 /nfs/dbraw/zinc/04/52/27/1199045227.db2.gz YRTMXPVHSNIWKJ-WCXIOVBPSA-N 1 1 368.478 0.543 20 5 FCBDMO CN(C)C(=O)CN1CCO[C@@H]2C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001169026683 1199045232 /nfs/dbraw/zinc/04/52/32/1199045232.db2.gz YRTMXPVHSNIWKJ-WCXIOVBPSA-N 1 1 368.478 0.543 20 5 FCBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC(CN2CC[NH+](C)CC2)C1 ZINC000820465914 1203186430 /nfs/dbraw/zinc/18/64/30/1203186430.db2.gz RXAGPBFYCVIKMG-UHFFFAOYSA-N 1 1 361.446 0.980 20 5 FCBDMO NC(=O)c1ncn(CC(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000845576531 1204537891 /nfs/dbraw/zinc/53/78/91/1204537891.db2.gz MCHRBXINFLKNOL-ZDUSSCGKSA-N 1 1 374.357 0.103 20 5 FCBDMO NC(=O)c1ncn(CC(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000845576531 1204537899 /nfs/dbraw/zinc/53/78/99/1204537899.db2.gz MCHRBXINFLKNOL-ZDUSSCGKSA-N 1 1 374.357 0.103 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(OC2C[NH+](CC3CCOCC3)C2)CC1 ZINC001093536318 1206091357 /nfs/dbraw/zinc/09/13/57/1206091357.db2.gz GAONUZZILPDHDU-IAGOWNOFSA-N 1 1 367.446 0.770 20 5 FCBDMO O=Cc1ccc(OCC(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000861712432 1209876010 /nfs/dbraw/zinc/87/60/10/1209876010.db2.gz OHNYURUKWJAVSS-ZIAGYGMSSA-N 1 1 363.370 0.454 20 5 FCBDMO NC(=O)c1cn(C2CC[NH+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)nn1 ZINC000863301532 1209937924 /nfs/dbraw/zinc/93/79/24/1209937924.db2.gz WZFKPCABLGOGSX-UHFFFAOYSA-N 1 1 370.373 0.930 20 5 FCBDMO COC(=O)c1ccnc(N2CCC(N3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC000866213336 1209993386 /nfs/dbraw/zinc/99/33/86/1209993386.db2.gz PDFRKSPIBWJFQY-UHFFFAOYSA-N 1 1 363.418 0.993 20 5 FCBDMO Cc1nc(CN(CCO)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)oc1C ZINC001098364285 1210985248 /nfs/dbraw/zinc/98/52/48/1210985248.db2.gz ONZAROBHXUYHEW-HUUCEWRRSA-N 1 1 366.418 0.742 20 5 FCBDMO C[N@H+]1CC[C@](O)(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000547295479 1211453090 /nfs/dbraw/zinc/45/30/90/1211453090.db2.gz YJGVYVWBUGXCAF-SFHVURJKSA-N 1 1 362.430 0.994 20 5 FCBDMO C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000932697879 1211816959 /nfs/dbraw/zinc/81/69/59/1211816959.db2.gz XIMGEYLYTBTITL-CVEARBPZSA-N 1 1 360.414 0.979 20 5 FCBDMO CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-])[NH+]1CCCC1 ZINC000969001538 1212220401 /nfs/dbraw/zinc/22/04/01/1212220401.db2.gz PHWOBBWUSHSDDF-LXTVHRRPSA-N 1 1 364.446 0.728 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC1)CN(Cc1ccccn1)CCO2 ZINC000949362656 1212362057 /nfs/dbraw/zinc/36/20/57/1212362057.db2.gz UKBVDLRSYCECTF-HZPDHXFCSA-N 1 1 360.414 0.940 20 5 FCBDMO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000795690785 1213274230 /nfs/dbraw/zinc/27/42/30/1213274230.db2.gz KYGNQCCSDRTTSX-OCCSQVGLSA-N 1 1 374.397 0.943 20 5 FCBDMO CCN(C(=O)c1ccc2c[nH+]cn2c1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000968138600 1215290373 /nfs/dbraw/zinc/29/03/73/1215290373.db2.gz LXPWEQRZRPFDBN-HUUCEWRRSA-N 1 1 357.370 0.672 20 5 FCBDMO C=C/C(C)=C/CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055617807 1215891162 /nfs/dbraw/zinc/89/11/62/1215891162.db2.gz QOYNJKRJDMNIGA-UBYOVFKISA-N 1 1 364.446 0.871 20 5 FCBDMO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2nnnn2C2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001050326367 1216307801 /nfs/dbraw/zinc/30/78/01/1216307801.db2.gz ZHCOOGMGRVOPJT-HBJVGIJOSA-N 1 1 363.422 0.438 20 5 FCBDMO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ncnn2CCF)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001050326121 1216307818 /nfs/dbraw/zinc/30/78/18/1216307818.db2.gz RYYTZGGMEMWEPP-AAVRWANBSA-N 1 1 368.413 0.677 20 5 FCBDMO CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001069452454 1216791636 /nfs/dbraw/zinc/79/16/36/1216791636.db2.gz KQYGPYLHXXKWIN-HUUCEWRRSA-N 1 1 366.462 0.881 20 5 FCBDMO CC(C)[N@H+]1CCO[C@@H](COC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000802134583 1218210052 /nfs/dbraw/zinc/21/00/52/1218210052.db2.gz IUTLTUYFIQXIGF-OAHLLOKOSA-N 1 1 365.386 0.977 20 5 FCBDMO CC1CCN(C(=O)C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)CC1 ZINC001048812695 1218317738 /nfs/dbraw/zinc/31/77/38/1218317738.db2.gz NMVZPLCWEPSGLD-QKPAOTATSA-N 1 1 364.446 0.300 20 5 FCBDMO CC1CCN(C(=O)C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)CC1 ZINC001048812695 1218317733 /nfs/dbraw/zinc/31/77/33/1218317733.db2.gz NMVZPLCWEPSGLD-QKPAOTATSA-N 1 1 364.446 0.300 20 5 FCBDMO CC1CCN(C(=O)C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)CC1 ZINC001048812695 1218317745 /nfs/dbraw/zinc/31/77/45/1218317745.db2.gz NMVZPLCWEPSGLD-QKPAOTATSA-N 1 1 364.446 0.300 20 5 FCBDMO C/C(=C/C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001055532716 1219069996 /nfs/dbraw/zinc/06/99/96/1219069996.db2.gz JTIPRLNZZFHSFE-NLNHSMHESA-N 1 1 364.446 0.705 20 5 FCBDMO CC(C)(C)/C=C\C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055544994 1219074851 /nfs/dbraw/zinc/07/48/51/1219074851.db2.gz BKHQGZMQFZKHOQ-DGPIVGRDSA-N 1 1 366.462 0.951 20 5 FCBDMO O=C(NCC[NH+]1CCC(NC(=O)C2(C3CC3)CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001055575300 1219083838 /nfs/dbraw/zinc/08/38/38/1219083838.db2.gz RCORSDVIOUREOW-HUUCEWRRSA-N 1 1 364.446 0.539 20 5 FCBDMO C=C/C(C)=C\CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575619 1219084468 /nfs/dbraw/zinc/08/44/68/1219084468.db2.gz HBKZGOZILOBKRC-ZNVHKUPMSA-N 1 1 364.446 0.871 20 5 FCBDMO NC(=O)c1ccc(C[N@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cc1 ZINC001072725497 1219620533 /nfs/dbraw/zinc/62/05/33/1219620533.db2.gz NOXFTKLYCIWWNX-HUUCEWRRSA-N 1 1 358.398 0.485 20 5 FCBDMO NC(=O)c1ccc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)cc1 ZINC001072725497 1219620535 /nfs/dbraw/zinc/62/05/35/1219620535.db2.gz NOXFTKLYCIWWNX-HUUCEWRRSA-N 1 1 358.398 0.485 20 5 FCBDMO NC(=O)c1ccc(C[N@H+]2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)cc1 ZINC001072725497 1219620541 /nfs/dbraw/zinc/62/05/41/1219620541.db2.gz NOXFTKLYCIWWNX-HUUCEWRRSA-N 1 1 358.398 0.485 20 5 FCBDMO Cc1cncc(C[N@@H+](CCO)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001098366198 1219766628 /nfs/dbraw/zinc/76/66/28/1219766628.db2.gz WUXUXMDRTNTSMI-IAGOWNOFSA-N 1 1 362.430 0.841 20 5 FCBDMO Cc1cncc(C[N@H+](CCO)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001098366198 1219766631 /nfs/dbraw/zinc/76/66/31/1219766631.db2.gz WUXUXMDRTNTSMI-IAGOWNOFSA-N 1 1 362.430 0.841 20 5 FCBDMO Cc1cncc(C[N@@H+](CCO)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001098366198 1219766636 /nfs/dbraw/zinc/76/66/36/1219766636.db2.gz WUXUXMDRTNTSMI-IAGOWNOFSA-N 1 1 362.430 0.841 20 5 FCBDMO C[C@H](NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@H]1C[N@H+](C)CCO1 ZINC000781740752 1221096588 /nfs/dbraw/zinc/09/65/88/1221096588.db2.gz QRMLLVIJSGXDHC-KNXALSJPSA-N 1 1 362.386 0.923 20 5 FCBDMO C[C@H](NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@H]1C[N@@H+](C)CCO1 ZINC000781740752 1221096594 /nfs/dbraw/zinc/09/65/94/1221096594.db2.gz QRMLLVIJSGXDHC-KNXALSJPSA-N 1 1 362.386 0.923 20 5 FCBDMO O=C(C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1)Nc1ccon1 ZINC001115530896 1221311782 /nfs/dbraw/zinc/31/17/82/1221311782.db2.gz XHTNBKBTWXDBPA-VXGBXAGGSA-N 1 1 365.390 0.687 20 5 FCBDMO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001117269928 1221501424 /nfs/dbraw/zinc/50/14/24/1221501424.db2.gz YGUPQFUSXREGKC-OAHLLOKOSA-N 1 1 360.414 0.854 20 5 FCBDMO O=C(C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)NC1CCCC1 ZINC001121081697 1222145948 /nfs/dbraw/zinc/14/59/48/1222145948.db2.gz QJWGBMDURKKMOX-BSGOTLCWSA-N 1 1 364.446 0.727 20 5 FCBDMO CCC(CC)NC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001121087259 1222146682 /nfs/dbraw/zinc/14/66/82/1222146682.db2.gz BGSHQOPMHYAUFI-BSGOTLCWSA-N 1 1 366.462 0.973 20 5 FCBDMO COCC[NH+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])c(N)n3)n2C)CC1 ZINC001122905706 1222306128 /nfs/dbraw/zinc/30/61/28/1222306128.db2.gz RVJXDXSXOORGAA-UHFFFAOYSA-N 1 1 362.394 0.136 20 5 FCBDMO O=C(NCC[NH+]1CCCC1)c1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839676631 1222754277 /nfs/dbraw/zinc/75/42/77/1222754277.db2.gz MPRBRRLJJMOJJU-HZPDHXFCSA-N 1 1 360.414 0.794 20 5 FCBDMO CCOC(=O)C1(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCN(C)CC1 ZINC001158573581 1223102421 /nfs/dbraw/zinc/10/24/21/1223102421.db2.gz JBLOSJZHRBXCMN-UHFFFAOYSA-N 1 1 364.406 0.511 20 5 FCBDMO CCN(C(=O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001160090179 1223145453 /nfs/dbraw/zinc/14/54/53/1223145453.db2.gz DESMLKSGKBKQOU-HZPDHXFCSA-N 1 1 364.446 0.801 20 5 FCBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC([C@H]([NH3+])C(=O)OC(C)(C)C)C1 ZINC001163117504 1223225886 /nfs/dbraw/zinc/22/58/86/1223225886.db2.gz ILQAZRNDSIYHPL-LBPRGKRZSA-N 1 1 366.374 0.882 20 5 FCBDMO COC(=O)c1cnc(N2CC([C@H]([NH3+])C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001163117037 1223225899 /nfs/dbraw/zinc/22/58/99/1223225899.db2.gz AFJHKXJBNVFDLO-LBPRGKRZSA-N 1 1 366.374 0.882 20 5 FCBDMO Nc1cn(-c2ccc(O)c([N+](=O)[O-])c2)ccc1=[NH+]CCN1CCOCC1 ZINC001210394035 1223687177 /nfs/dbraw/zinc/68/71/77/1223687177.db2.gz MCRZFXGIWPJXGQ-UHFFFAOYSA-N 1 1 359.386 0.906 20 5 FCBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000765551720 1245302582 /nfs/dbraw/zinc/30/25/82/1245302582.db2.gz HAXNQNNSWYDUJA-ZDUSSCGKSA-N 1 1 358.402 0.985 20 5 FCBDMO O=Cc1ccc(OCC(=O)N2CCN(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000847943835 1245352420 /nfs/dbraw/zinc/35/24/20/1245352420.db2.gz SQHKDCQYQOVXND-UHFFFAOYSA-N 1 1 359.342 0.858 20 5 FCBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000920257823 1245618480 /nfs/dbraw/zinc/61/84/80/1245618480.db2.gz MKURAJOHLRWADJ-GFCCVEGCSA-N 1 1 364.402 0.742 20 5 FCBDMO O=C(C[NH+]1CCCC1)N1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000944385271 1247544155 /nfs/dbraw/zinc/54/41/55/1247544155.db2.gz QKMNJBODXIJXEW-HUUCEWRRSA-N 1 1 364.446 0.589 20 5 FCBDMO COc1ccc(CNC(=O)C(=O)NCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC001327791555 1265425851 /nfs/dbraw/zinc/42/58/51/1265425851.db2.gz PMLHKLWRNISLLE-UHFFFAOYSA-N 1 1 361.358 0.541 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2nnc3n2CCCCC3)CC1 ZINC000996429870 1251344480 /nfs/dbraw/zinc/34/44/80/1251344480.db2.gz WLWAMFHMEOYAQX-ZIAGYGMSSA-N 1 1 362.434 0.750 20 5 FCBDMO C[NH+](C)Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001001807620 1252352545 /nfs/dbraw/zinc/35/25/45/1252352545.db2.gz POGXQVZWBQAYNW-HZPDHXFCSA-N 1 1 360.414 0.602 20 5 FCBDMO Cn1c(-c2csc([N+](=O)[O-])c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001519416890 1265720021 /nfs/dbraw/zinc/72/00/21/1265720021.db2.gz YIRFCXHOTORESF-NSHDSACASA-N 1 1 350.404 0.973 20 5 FCBDMO Cn1c(-c2csc([N+](=O)[O-])c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001519416890 1265720026 /nfs/dbraw/zinc/72/00/26/1265720026.db2.gz YIRFCXHOTORESF-NSHDSACASA-N 1 1 350.404 0.973 20 5 FCBDMO CCn1nncc1C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035186927 1254019757 /nfs/dbraw/zinc/01/97/57/1254019757.db2.gz LNYZKPFHKLNQJD-HUUCEWRRSA-N 1 1 362.434 0.778 20 5 FCBDMO CCn1nncc1C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001035186927 1254019769 /nfs/dbraw/zinc/01/97/69/1254019769.db2.gz LNYZKPFHKLNQJD-HUUCEWRRSA-N 1 1 362.434 0.778 20 5 FCBDMO CCn1nncc1C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001035186927 1254019772 /nfs/dbraw/zinc/01/97/72/1254019772.db2.gz LNYZKPFHKLNQJD-HUUCEWRRSA-N 1 1 362.434 0.778 20 5 FCBDMO C[NH+](C)C1(C(=O)NC[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CCC1 ZINC001060730193 1254134744 /nfs/dbraw/zinc/13/47/44/1254134744.db2.gz CHUAVBFOJHLIBT-KBUPBQIOSA-N 1 1 366.462 0.927 20 5 FCBDMO C[NH+](C)C1(C(=O)N[C@H]2CC[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CCC1 ZINC001060748598 1254136353 /nfs/dbraw/zinc/13/63/53/1254136353.db2.gz JJIPFKVSQREJFN-KBUPBQIOSA-N 1 1 366.462 0.927 20 5 FCBDMO CCN(C(=O)CC1([NH+](C)C)CCCC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080152852 1255761924 /nfs/dbraw/zinc/76/19/24/1255761924.db2.gz OOCWAQFTPVIXGJ-HUUCEWRRSA-N 1 1 366.462 0.975 20 5 FCBDMO CN(CC(=O)N1CC[NH+](C)CC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC001307968152 1263205718 /nfs/dbraw/zinc/20/57/18/1263205718.db2.gz LSSQICGESADSDO-UHFFFAOYSA-N 1 1 374.401 0.851 20 5 FCBDMO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)C[NH+]1CCOCC1 ZINC001311240577 1263252607 /nfs/dbraw/zinc/25/26/07/1263252607.db2.gz DZGYMCKUPMNXPP-NSHDSACASA-N 1 1 365.390 0.784 20 5 FCBDMO O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)Nc1ccc(F)cc1 ZINC001316614767 1263386189 /nfs/dbraw/zinc/38/61/89/1263386189.db2.gz FNQOGMQUIYXZAQ-AQNFWKISSA-N 1 1 364.377 0.914 20 5 FCBDMO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001322254679 1264175995 /nfs/dbraw/zinc/17/59/95/1264175995.db2.gz UTJBSDAZBIXUOZ-ZBFHGGJFSA-N 1 1 360.414 0.997 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001323696875 1264488599 /nfs/dbraw/zinc/48/85/99/1264488599.db2.gz YQCAESZFHXXLSM-AAEUAGOBSA-N 1 1 364.402 0.819 20 5 FCBDMO C[C@H]1C[C@@H](NC(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC001326571951 1265137423 /nfs/dbraw/zinc/13/74/23/1265137423.db2.gz LYKQPFGUKTXHTP-STQMWFEESA-N 1 1 364.402 0.689 20 5 FCBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001327321883 1265284524 /nfs/dbraw/zinc/28/45/24/1265284524.db2.gz KTZVLPGBDPSYDV-ZDUSSCGKSA-N 1 1 366.422 0.144 20 5 FCBDMO COCCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001514611776 1265363048 /nfs/dbraw/zinc/36/30/48/1265363048.db2.gz WZIDBSRTASIVNE-ZIAGYGMSSA-N 1 1 368.438 0.563 20 5 FCBDMO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001342900271 1269668741 /nfs/dbraw/zinc/66/87/41/1269668741.db2.gz TTYVRMJUHRZDFO-OAHLLOKOSA-N 1 1 360.414 0.950 20 5 FCBDMO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC001342900632 1269670396 /nfs/dbraw/zinc/67/03/96/1269670396.db2.gz ZQLQTKGDLARERT-UHFFFAOYSA-N 1 1 360.414 0.808 20 5 FCBDMO C[C@H](c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@@H]1CCOC1)[N+](=O)[O-] ZINC001344206873 1270112524 /nfs/dbraw/zinc/11/25/24/1270112524.db2.gz XDGILWLTBSLJCA-RDBSUJKOSA-N 1 1 366.422 0.173 20 5 FCBDMO C[C@H](c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@@H]1CCOC1)[N+](=O)[O-] ZINC001344206873 1270112530 /nfs/dbraw/zinc/11/25/30/1270112530.db2.gz XDGILWLTBSLJCA-RDBSUJKOSA-N 1 1 366.422 0.173 20 5 FCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001582803681 1282030027 /nfs/dbraw/zinc/03/00/27/1282030027.db2.gz QNXOCQSZQMIPCX-NEPJUHHUSA-N 1 1 360.378 0.205 20 5 FCBDMO C[C@H]1CN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC001590316366 1283459295 /nfs/dbraw/zinc/45/92/95/1283459295.db2.gz LDPDQECEGUTDDT-JTQLQIEISA-N 1 1 362.394 0.451 20 5 FCBDMO C[N@H+](CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001591098947 1284168088 /nfs/dbraw/zinc/16/80/88/1284168088.db2.gz FVIAXVFWWUHCOZ-UHFFFAOYSA-N 1 1 370.373 0.965 20 5 FCBDMO C[N@@H+](CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001591098947 1284168096 /nfs/dbraw/zinc/16/80/96/1284168096.db2.gz FVIAXVFWWUHCOZ-UHFFFAOYSA-N 1 1 370.373 0.965 20 5 FCBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1cc(F)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591192215 1284311396 /nfs/dbraw/zinc/31/13/96/1284311396.db2.gz UEGMKIYWFBVWIE-VIFPVBQESA-N 1 1 350.358 0.572 20 5 FCBDMO CN(CCC[NH+]1CCN(C)CC1)c1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001591193369 1284311867 /nfs/dbraw/zinc/31/18/67/1284311867.db2.gz QNXUDYLBNUORDD-UHFFFAOYSA-N 1 1 360.422 0.849 20 5 FCBDMO CNC(=O)C[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC001591208611 1284337712 /nfs/dbraw/zinc/33/77/12/1284337712.db2.gz DVIJWHPPEMRUQH-UHFFFAOYSA-N 1 1 374.405 0.706 20 5 FCBDMO Cn1ncc([N+](=O)[O-])c1N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001592601944 1285537203 /nfs/dbraw/zinc/53/72/03/1285537203.db2.gz DQAJAFHMLZERQM-UHFFFAOYSA-N 1 1 369.389 0.831 20 5 FCBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001593482490 1286174711 /nfs/dbraw/zinc/17/47/11/1286174711.db2.gz BWQAAELLMNINON-UHFFFAOYSA-N 1 1 361.362 0.636 20 5 FCBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NCC[N@H+]1CCC2(C1)OCCO2 ZINC001593482490 1286174713 /nfs/dbraw/zinc/17/47/13/1286174713.db2.gz BWQAAELLMNINON-UHFFFAOYSA-N 1 1 361.362 0.636 20 5 FCBDMO O=C([O-])C[NH+]1CCC([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001602061655 1286916138 /nfs/dbraw/zinc/91/61/38/1286916138.db2.gz WYYNXHKXOVKCPF-GDBMZVCRSA-N 1 1 353.375 0.128 20 5 FCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001609600329 1289256752 /nfs/dbraw/zinc/25/67/52/1289256752.db2.gz DETMWRWRMGQJOC-LBPRGKRZSA-N 1 1 360.378 0.471 20 5 FCBDMO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)Nc1ccc(F)c(F)c1 ZINC001752725275 1290615146 /nfs/dbraw/zinc/61/51/46/1290615146.db2.gz AODFVIUERIJVBF-FBKDDSFISA-N 1 1 368.340 0.805 20 5 FCBDMO CC(C)N(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1CC[NH+](C)CC1 ZINC001688520466 1294502370 /nfs/dbraw/zinc/50/23/70/1294502370.db2.gz KGKCZXINIQHQKG-HUUCEWRRSA-N 1 1 354.451 0.737 20 5 FCBDMO CN(Cc1ccsc1)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001690336893 1294864185 /nfs/dbraw/zinc/86/41/85/1294864185.db2.gz WLLOAXSKDJQHCN-XJFOESAGSA-N 1 1 366.443 0.609 20 5 FCBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740391 720726202 /nfs/dbraw/zinc/72/62/02/720726202.db2.gz KNGORUSZKDRTSD-KGLIPLIRSA-N 1 1 372.385 0.669 20 5 FCBDMO COCC[N@H+]1CCO[C@H]2CN(c3ncnc(OC)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164860947 720854702 /nfs/dbraw/zinc/85/47/02/720854702.db2.gz XMKAGTAGHSYPNX-OLZOCXBDSA-N 1 1 367.406 0.567 20 5 FCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CCCN1CCCC1=O)C2 ZINC001072726687 837742943 /nfs/dbraw/zinc/74/29/43/837742943.db2.gz PIBCUUYYGJIXEE-ZIAGYGMSSA-N 1 1 350.419 0.198 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCCN1CCCC1=O)C2 ZINC001072726687 837742949 /nfs/dbraw/zinc/74/29/49/837742949.db2.gz PIBCUUYYGJIXEE-ZIAGYGMSSA-N 1 1 350.419 0.198 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CCCN1CCCC1=O)C2 ZINC001072726687 837742956 /nfs/dbraw/zinc/74/29/56/837742956.db2.gz PIBCUUYYGJIXEE-ZIAGYGMSSA-N 1 1 350.419 0.198 20 5 FCBDMO CCC[N@@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001061065439 836679809 /nfs/dbraw/zinc/67/98/09/836679809.db2.gz WMHNNEWWVRWBBG-ZIAGYGMSSA-N 1 1 352.435 0.444 20 5 FCBDMO CCC[N@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001061065439 836679817 /nfs/dbraw/zinc/67/98/17/836679817.db2.gz WMHNNEWWVRWBBG-ZIAGYGMSSA-N 1 1 352.435 0.444 20 5 FCBDMO CCC[N@@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001061065439 836679826 /nfs/dbraw/zinc/67/98/26/836679826.db2.gz WMHNNEWWVRWBBG-ZIAGYGMSSA-N 1 1 352.435 0.444 20 5 FCBDMO CCN(C(=O)CCC[NH+]1CCCC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079924634 839626044 /nfs/dbraw/zinc/62/60/44/839626044.db2.gz VTQBIQJBONOIHF-HUUCEWRRSA-N 1 1 352.435 0.587 20 5 FCBDMO Cc1ccc(CNC(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1F ZINC001126938553 848713200 /nfs/dbraw/zinc/71/32/00/848713200.db2.gz DZTGVTRXPHMSLG-TZMCWYRMSA-N 1 1 352.366 0.121 20 5 FCBDMO O=C(NCC[NH2+]Cc1cc2c(cc1Cl)OCCO2)[C@@H]1CC1[N+](=O)[O-] ZINC001126936941 848713729 /nfs/dbraw/zinc/71/37/29/848713729.db2.gz XWWCGFSSIOYKAP-ZYHUDNBSSA-N 1 1 355.778 0.982 20 5 FCBDMO NC(=O)C[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001133395803 849150265 /nfs/dbraw/zinc/15/02/65/849150265.db2.gz AYELZZNFPQPQIP-CHWSQXEVSA-N 1 1 354.794 0.409 20 5 FCBDMO CCc1nnc(C[NH2+]CC2(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1C ZINC001164491060 850414276 /nfs/dbraw/zinc/41/42/76/850414276.db2.gz YZVXDCWADOUSTH-VXGBXAGGSA-N 1 1 350.423 0.419 20 5 FCBDMO COCCC[NH+]1CCN(c2nc(NC(C)=O)nc(C)c2[N+](=O)[O-])CC1 ZINC001165098157 850423448 /nfs/dbraw/zinc/42/34/48/850423448.db2.gz SZEXQAMMKQMAQG-UHFFFAOYSA-N 1 1 352.395 0.810 20 5 FCBDMO CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169023466 850602277 /nfs/dbraw/zinc/60/22/77/850602277.db2.gz ULVLAVQUZIMSCT-QSJFSLAZSA-N 1 1 355.435 0.818 20 5 FCBDMO O=C(NCCCCCC[NH2+]CCN1C(=O)CCC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178450063 850899424 /nfs/dbraw/zinc/89/94/24/850899424.db2.gz QALMYCMGEIBUMX-CHWSQXEVSA-N 1 1 354.407 0.067 20 5 FCBDMO O=C(NCCCCCC[NH2+]CCCN1CCCC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178449656 850899918 /nfs/dbraw/zinc/89/99/18/850899918.db2.gz CGDJDVGZEBRWHI-HUUCEWRRSA-N 1 1 354.451 0.930 20 5 FCBDMO CCC(C)(C)NC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205224364 853600716 /nfs/dbraw/zinc/60/07/16/853600716.db2.gz PYYSXQOKNQAUKJ-ZIAGYGMSSA-N 1 1 354.451 0.785 20 5 FCBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OCC(=O)N1CC([N+](=O)[O-])([N+](=O)[O-])C1)C2 ZINC001224799674 857002576 /nfs/dbraw/zinc/00/25/76/857002576.db2.gz KJMZHMZABYIBEC-ITGUQSILSA-N 1 1 356.379 0.499 20 5 FCBDMO CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[N@H+](CC[N+](=O)[O-])C2)C(=O)C1 ZINC001262263574 858841808 /nfs/dbraw/zinc/84/18/08/858841808.db2.gz UFCBEYDDFZFLGT-CYBMUJFWSA-N 1 1 356.423 0.807 20 5 FCBDMO CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)C(=O)C1 ZINC001262263574 858841817 /nfs/dbraw/zinc/84/18/17/858841817.db2.gz UFCBEYDDFZFLGT-CYBMUJFWSA-N 1 1 356.423 0.807 20 5 FCBDMO CN1CCN(CCC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001262558280 859000075 /nfs/dbraw/zinc/00/00/75/859000075.db2.gz ZTTFEAQYYUZSHN-UHFFFAOYSA-N 1 1 370.475 0.596 20 5 FCBDMO CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@H]1CC[N@H+]1C ZINC001303899607 866479628 /nfs/dbraw/zinc/47/96/28/866479628.db2.gz PISWEYQCDPLQTB-MNOVXSKESA-N 1 1 370.431 0.860 20 5 FCBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(CCC[N+](=O)[O-])n1C ZINC001350550128 866625633 /nfs/dbraw/zinc/62/56/33/866625633.db2.gz QFMRROJTNRVLGH-CYBMUJFWSA-N 1 1 352.439 0.714 20 5 FCBDMO C[N@@H+]1CC[C@@H]1CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC001307214487 866649702 /nfs/dbraw/zinc/64/97/02/866649702.db2.gz HAYYMWGNEISLJX-GFCCVEGCSA-N 1 1 370.431 0.732 20 5 FCBDMO C[N@H+]1CC[C@@H]1CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC001307214487 866649721 /nfs/dbraw/zinc/64/97/21/866649721.db2.gz HAYYMWGNEISLJX-GFCCVEGCSA-N 1 1 370.431 0.732 20 5 FCBDMO COC(=O)[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)OC ZINC001308154109 866706593 /nfs/dbraw/zinc/70/65/93/866706593.db2.gz ZVWWKWMTWSQPFF-OKILXGFUSA-N 1 1 352.343 0.868 20 5 FCBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(OCC(N)=O)CC1 ZINC001319934310 868035973 /nfs/dbraw/zinc/03/59/73/868035973.db2.gz LCLGITWGOTVLSA-LLVKDONJSA-N 1 1 350.375 0.888 20 5 FCBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001321328262 868433355 /nfs/dbraw/zinc/43/33/55/868433355.db2.gz IYTDHAAAEQEJOE-CZUORRHYSA-N 1 1 353.423 0.337 20 5 FCBDMO COCC[N@@H+](C)CCNC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001322002606 868702763 /nfs/dbraw/zinc/70/27/63/868702763.db2.gz OBKKOBLKSQFBJX-UHFFFAOYSA-N 1 1 352.391 0.248 20 5 FCBDMO C[C@H](NC(=O)C(=O)NCC[NH+]1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC001322315302 868787717 /nfs/dbraw/zinc/78/77/17/868787717.db2.gz JBGNWLZDAJZXQV-LBPRGKRZSA-N 1 1 366.443 0.937 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCNS(C)(=O)=O ZINC001322784346 868943671 /nfs/dbraw/zinc/94/36/71/868943671.db2.gz MOFOZEZHEVTVED-UHFFFAOYSA-N 1 1 374.419 0.413 20 5 FCBDMO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)NCC[NH+]1CCSCC1 ZINC001325294397 869843431 /nfs/dbraw/zinc/84/34/31/869843431.db2.gz UCDQSJVAELQMAE-UHFFFAOYSA-N 1 1 366.443 0.419 20 5 FCBDMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001325748766 870017518 /nfs/dbraw/zinc/01/75/18/870017518.db2.gz OEGYDKOUHWESMT-LBPRGKRZSA-N 1 1 352.391 0.466 20 5 FCBDMO O=[N+]([O-])Cc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1Cc1cccs1 ZINC001344680945 870979578 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FCBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001332322233 873454554 /nfs/dbraw/zinc/45/45/54/873454554.db2.gz GPBVXKVCRVAVEC-OCCSQVGLSA-N 1 1 356.448 0.816 20 5 FCBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001332322233 873454560 /nfs/dbraw/zinc/45/45/60/873454560.db2.gz GPBVXKVCRVAVEC-OCCSQVGLSA-N 1 1 356.448 0.816 20 5 FCBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292330495 214094442 /nfs/dbraw/zinc/09/44/42/214094442.db2.gz WGTRUZUCEJHPGW-UONOGXRCSA-N 1 1 373.431 0.300 20 5 FCBDMO COc1nccc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000294921819 214270851 /nfs/dbraw/zinc/27/08/51/214270851.db2.gz CQPXKXMAUYDIOC-UHFFFAOYSA-N 1 1 367.387 0.462 20 5 FCBDMO COC(=O)[C@@H]([NH2+]CCCNc1nccc(C(N)=O)c1[N+](=O)[O-])C(C)C ZINC000294970188 214271789 /nfs/dbraw/zinc/27/17/89/214271789.db2.gz NZMQDRAOJQBTNA-NSHDSACASA-N 1 1 353.379 0.678 20 5 FCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c(F)c1 ZINC000295282003 214289179 /nfs/dbraw/zinc/28/91/79/214289179.db2.gz MTUYARNZVKJGSF-LLVKDONJSA-N 1 1 361.395 0.859 20 5 FCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c(F)c1 ZINC000295282003 214289181 /nfs/dbraw/zinc/28/91/81/214289181.db2.gz MTUYARNZVKJGSF-LLVKDONJSA-N 1 1 361.395 0.859 20 5 FCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000295296034 214290223 /nfs/dbraw/zinc/29/02/23/214290223.db2.gz UUBFLUCBQXACNU-BDJLRTHQSA-N 1 1 352.366 0.873 20 5 FCBDMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000295619434 214308242 /nfs/dbraw/zinc/30/82/42/214308242.db2.gz YNDIPEMFOQDPTF-GFCCVEGCSA-N 1 1 365.386 0.943 20 5 FCBDMO C[N@@H+](CCCO)C1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000162123456 529893692 /nfs/dbraw/zinc/89/36/92/529893692.db2.gz TVVSBKLYAWPMOU-UHFFFAOYSA-N 1 1 354.411 0.280 20 5 FCBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000265575331 210171020 /nfs/dbraw/zinc/17/10/20/210171020.db2.gz PPUNMGULNUCFPB-HNNXBMFYSA-N 1 1 364.402 0.886 20 5 FCBDMO C[N@@H+](CCCO)C1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000265258514 210082405 /nfs/dbraw/zinc/08/24/05/210082405.db2.gz XRQLFXDDXOOWKO-UHFFFAOYSA-N 1 1 372.447 0.525 20 5 FCBDMO C[NH+]1CCN(C(=O)CCNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000265113410 210059976 /nfs/dbraw/zinc/05/99/76/210059976.db2.gz LFINSIWFCCZKAH-UHFFFAOYSA-N 1 1 364.402 0.644 20 5 FCBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000264464028 209887513 /nfs/dbraw/zinc/88/75/13/209887513.db2.gz FGPNMIRCBLGWKU-CQSZACIVSA-N 1 1 350.375 0.673 20 5 FCBDMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000285066857 213276566 /nfs/dbraw/zinc/27/65/66/213276566.db2.gz OLINGDWSIFIAIS-HOTGVXAUSA-N 1 1 369.443 0.872 20 5 FCBDMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2)CC1 ZINC000285037397 213271179 /nfs/dbraw/zinc/27/11/79/213271179.db2.gz GLPRSFCUCBBMFL-UHFFFAOYSA-N 1 1 358.358 0.958 20 5 FCBDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000367482780 216128260 /nfs/dbraw/zinc/12/82/60/216128260.db2.gz APKRZFSSJIIBHG-AWEZNQCLSA-N 1 1 370.431 0.937 20 5 FCBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000368335375 216235235 /nfs/dbraw/zinc/23/52/35/216235235.db2.gz YVLAQNSSHFSLJK-LSDHHAIUSA-N 1 1 351.403 0.741 20 5 FCBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186618375 209194892 /nfs/dbraw/zinc/19/48/92/209194892.db2.gz IMMQWTVWMYCZBW-GFCCVEGCSA-N 1 1 350.350 0.770 20 5 FCBDMO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186674730 209194670 /nfs/dbraw/zinc/19/46/70/209194670.db2.gz KHIBYQSGPHEVJX-GFCCVEGCSA-N 1 1 372.385 0.508 20 5 FCBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1=CC[N@@H+](C)CC1 ZINC000276384966 212223801 /nfs/dbraw/zinc/22/38/01/212223801.db2.gz QQWPSCVNZPBWMY-UHFFFAOYSA-N 1 1 369.399 0.922 20 5 FCBDMO 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C[C@@](O)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCOCC1 ZINC000081817208 488444512 /nfs/dbraw/zinc/44/45/12/488444512.db2.gz XNROHLPWWMZLCP-MRXNPFEDSA-N 1 1 371.821 0.990 20 5 FCBDMO C[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CC(F)(F)F ZINC000245645716 488465389 /nfs/dbraw/zinc/46/53/89/488465389.db2.gz BGBZAMKAABFZDI-CMPLNLGQSA-N 1 1 351.329 0.721 20 5 FCBDMO C[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CC(F)(F)F ZINC000245645716 488465390 /nfs/dbraw/zinc/46/53/90/488465390.db2.gz BGBZAMKAABFZDI-CMPLNLGQSA-N 1 1 351.329 0.721 20 5 FCBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000269072542 488466354 /nfs/dbraw/zinc/46/63/54/488466354.db2.gz UDFSHCCVKHONNI-ZDUSSCGKSA-N 1 1 363.374 0.074 20 5 FCBDMO Cn1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(=O)n(C)c1=O ZINC000093534715 488479422 /nfs/dbraw/zinc/47/94/22/488479422.db2.gz BRFTYPKRRDBYGS-LBPRGKRZSA-N 1 1 360.374 0.074 20 5 FCBDMO C[C@H](O)C[N@H+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000247567609 488488427 /nfs/dbraw/zinc/48/84/27/488488427.db2.gz GUOGSKIHIZPFLF-KBPBESRZSA-N 1 1 362.430 0.871 20 5 FCBDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000104102335 488504272 /nfs/dbraw/zinc/50/42/72/488504272.db2.gz HXIJVKXVCIJLBY-UHFFFAOYSA-N 1 1 358.464 0.850 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000104792694 488505992 /nfs/dbraw/zinc/50/59/92/488505992.db2.gz QASZKFJXRSDITK-CQSZACIVSA-N 1 1 363.418 0.981 20 5 FCBDMO Cc1nn(CCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000251707169 488516971 /nfs/dbraw/zinc/51/69/71/488516971.db2.gz JWPNXUCCJCJVQL-RYUDHWBXSA-N 1 1 353.423 0.712 20 5 FCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)[C@@H](C)C1 ZINC000271643357 488534658 /nfs/dbraw/zinc/53/46/58/488534658.db2.gz GJGFTEAOMXUYNB-LBPRGKRZSA-N 1 1 367.406 0.586 20 5 FCBDMO 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ZINC000273040075 488627117 /nfs/dbraw/zinc/62/71/17/488627117.db2.gz HKGQGLHPVPAZNI-UHFFFAOYSA-N 1 1 364.402 0.887 20 5 FCBDMO COCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000273088742 488631010 /nfs/dbraw/zinc/63/10/10/488631010.db2.gz QYAZSWIHDOBDPR-CQSZACIVSA-N 1 1 364.402 0.470 20 5 FCBDMO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000273349766 488645407 /nfs/dbraw/zinc/64/54/07/488645407.db2.gz OZVPZCZAWBRJMJ-CHWSQXEVSA-N 1 1 358.416 0.844 20 5 FCBDMO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000273349766 488645408 /nfs/dbraw/zinc/64/54/08/488645408.db2.gz OZVPZCZAWBRJMJ-CHWSQXEVSA-N 1 1 358.416 0.844 20 5 FCBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000264585425 488687574 /nfs/dbraw/zinc/68/75/74/488687574.db2.gz VFDQDFDPSCRABR-CQSZACIVSA-N 1 1 350.375 0.430 20 5 FCBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000152694827 488721566 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C[C@@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H](C)C[N@H+]1C ZINC000512132993 490661468 /nfs/dbraw/zinc/66/14/68/490661468.db2.gz WVAWUUDQQBFMCZ-MNOVXSKESA-N 1 1 360.370 0.742 20 5 FCBDMO CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000565030485 491346349 /nfs/dbraw/zinc/34/63/49/491346349.db2.gz BWCYSAYZAJYQLP-JKSUJKDBSA-N 1 1 360.414 0.979 20 5 FCBDMO C[C@H]1[C@@H](NC(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC[N@H+]1C ZINC000502831486 490723730 /nfs/dbraw/zinc/72/37/30/490723730.db2.gz XFAHLNUPAMVURK-JQWIXIFHSA-N 1 1 374.401 0.686 20 5 FCBDMO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000539041931 490762436 /nfs/dbraw/zinc/76/24/36/490762436.db2.gz UZKUJTTWIHORSR-MLGOLLRUSA-N 1 1 368.459 0.945 20 5 FCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000539041931 490762438 /nfs/dbraw/zinc/76/24/38/490762438.db2.gz UZKUJTTWIHORSR-MLGOLLRUSA-N 1 1 368.459 0.945 20 5 FCBDMO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516124582 490852135 /nfs/dbraw/zinc/85/21/35/490852135.db2.gz PVPYUBQYJGNFDR-UHFFFAOYSA-N 1 1 352.376 0.292 20 5 FCBDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)Cn3cnc([N+](=O)[O-])n3)c2)CCO1 ZINC000516358225 490861555 /nfs/dbraw/zinc/86/15/55/490861555.db2.gz CAZLAZRCQYRJOM-CYBMUJFWSA-N 1 1 374.401 0.723 20 5 FCBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)Cn3cnc([N+](=O)[O-])n3)c2)CCO1 ZINC000516358225 490861556 /nfs/dbraw/zinc/86/15/56/490861556.db2.gz CAZLAZRCQYRJOM-CYBMUJFWSA-N 1 1 374.401 0.723 20 5 FCBDMO COc1ccc(C(=O)NCC(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000542079597 490884819 /nfs/dbraw/zinc/88/48/19/490884819.db2.gz LOXSATAPYWWGDB-GFCCVEGCSA-N 1 1 364.402 0.791 20 5 FCBDMO C[C@H]1C[N@H+](CCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)[C@@H](C)CO1 ZINC000596430303 491985655 /nfs/dbraw/zinc/98/56/55/491985655.db2.gz LNBNKMSHQRZLPF-QWRGUYRKSA-N 1 1 358.420 0.763 20 5 FCBDMO C[C@H]1C[N@@H+](CCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)[C@@H](C)CO1 ZINC000596430303 491985656 /nfs/dbraw/zinc/98/56/56/491985656.db2.gz LNBNKMSHQRZLPF-QWRGUYRKSA-N 1 1 358.420 0.763 20 5 FCBDMO Cc1[nH+]ccn1CC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000565605356 491388218 /nfs/dbraw/zinc/38/82/18/491388218.db2.gz ZCZXAXDSWOBVGU-UHFFFAOYSA-N 1 1 355.358 1.271 20 5 FCBDMO CS(=O)(=O)NCC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000573343953 491427795 /nfs/dbraw/zinc/42/77/95/491427795.db2.gz BRMAGFBHFXKUGD-CYBMUJFWSA-N 1 1 373.431 0.348 20 5 FCBDMO CS(=O)(=O)NCC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000573343953 491427798 /nfs/dbraw/zinc/42/77/98/491427798.db2.gz BRMAGFBHFXKUGD-CYBMUJFWSA-N 1 1 373.431 0.348 20 5 FCBDMO COC(=O)c1ccc2c(c1)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000560826272 491559116 /nfs/dbraw/zinc/55/91/16/491559116.db2.gz ZAVDAERFROJXMD-INIZCTEOSA-N 1 1 360.370 0.997 20 5 FCBDMO COC(=O)c1ccc2c(c1)C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000560826272 491559117 /nfs/dbraw/zinc/55/91/17/491559117.db2.gz ZAVDAERFROJXMD-INIZCTEOSA-N 1 1 360.370 0.997 20 5 FCBDMO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC000577388340 491618259 /nfs/dbraw/zinc/61/82/59/491618259.db2.gz FFDKPWKLLAPXQD-UHFFFAOYSA-N 1 1 357.432 0.513 20 5 FCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)n1 ZINC000577022706 491665326 /nfs/dbraw/zinc/66/53/26/491665326.db2.gz QQDKDQJZMGYUHX-LBPRGKRZSA-N 1 1 357.436 0.585 20 5 FCBDMO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000581199742 491763980 /nfs/dbraw/zinc/76/39/80/491763980.db2.gz MABNFZALPZOMHD-UHFFFAOYSA-N 1 1 366.422 0.391 20 5 FCBDMO O=C(NC[C@@H]1CCCN(Cc2ncon2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000590362473 491774069 /nfs/dbraw/zinc/77/40/69/491774069.db2.gz LXKUHHITBAQVIN-JTQLQIEISA-N 1 1 362.346 0.720 20 5 FCBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000590387680 491775121 /nfs/dbraw/zinc/77/51/21/491775121.db2.gz HLERXYHRNNXLRL-ZDUSSCGKSA-N 1 1 351.407 0.893 20 5 FCBDMO C[NH+]1CCN(CC2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000590564021 491779533 /nfs/dbraw/zinc/77/95/33/491779533.db2.gz WVWUBQJGTHECOD-UHFFFAOYSA-N 1 1 358.402 0.791 20 5 FCBDMO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000582795606 491827171 /nfs/dbraw/zinc/82/71/71/491827171.db2.gz WAHHFJDNTSVBFV-UHFFFAOYSA-N 1 1 351.407 0.986 20 5 FCBDMO C[C@H](CN1CCN(C)CC1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000582900488 491831387 /nfs/dbraw/zinc/83/13/87/491831387.db2.gz OXYOXAACNZNDHO-ZBFHGGJFSA-N 1 1 352.435 0.560 20 5 FCBDMO Cn1cc(C(=O)NCC[N@H+]2CC[C@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600809078 491883876 /nfs/dbraw/zinc/88/38/76/491883876.db2.gz RWMGLXAXPHWVST-AWEZNQCLSA-N 1 1 359.386 0.792 20 5 FCBDMO CCOc1cc(C(=O)NCC[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000600808232 491883882 /nfs/dbraw/zinc/88/38/82/491883882.db2.gz NHWRYDIQZTXUAD-NSHDSACASA-N 1 1 353.375 0.799 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](CCN2CCOCC2)CC2CC2)c1 ZINC000595809012 491954885 /nfs/dbraw/zinc/95/48/85/491954885.db2.gz QXKAPHCWWQEHRQ-MRXNPFEDSA-N 1 1 353.423 0.196 20 5 FCBDMO COC(=O)CN1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000602154841 491964392 /nfs/dbraw/zinc/96/43/92/491964392.db2.gz MCJFTTDQFOFLDJ-AWEZNQCLSA-N 1 1 353.375 0.125 20 5 FCBDMO NS(=O)(=O)c1ccc(N2CCN(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000596211502 491979620 /nfs/dbraw/zinc/97/96/20/491979620.db2.gz SXBXTUROKVQJEA-UHFFFAOYSA-N 1 1 352.376 0.292 20 5 FCBDMO CCOc1ccc(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000603825294 492042460 /nfs/dbraw/zinc/04/24/60/492042460.db2.gz JDUFMNSTFVUFBA-UHFFFAOYSA-N 1 1 364.402 0.840 20 5 FCBDMO COc1cc(CCNC(=O)CN2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000603837024 492043251 /nfs/dbraw/zinc/04/32/51/492043251.db2.gz NPPGOTJAKCSLRC-UHFFFAOYSA-N 1 1 366.418 0.518 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597710931 492060787 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0.947 20 5 FCBDMO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000609383411 492207433 /nfs/dbraw/zinc/20/74/33/492207433.db2.gz NKDJULWAXAWCIE-ZDUSSCGKSA-N 1 1 374.397 0.921 20 5 FCBDMO COc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])cc1OC ZINC000609530924 492211893 /nfs/dbraw/zinc/21/18/93/492211893.db2.gz CPEXOSILJCPCFO-LLVKDONJSA-N 1 1 352.391 0.588 20 5 FCBDMO COc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])cc1OC ZINC000609530924 492211895 /nfs/dbraw/zinc/21/18/95/492211895.db2.gz CPEXOSILJCPCFO-LLVKDONJSA-N 1 1 352.391 0.588 20 5 FCBDMO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000599936790 492218775 /nfs/dbraw/zinc/21/87/75/492218775.db2.gz BZTBTFOLKJKSMO-AAEUAGOBSA-N 1 1 363.370 0.647 20 5 FCBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609989640 492230338 /nfs/dbraw/zinc/23/03/38/492230338.db2.gz REMJMQQCRVMUJC-GFCCVEGCSA-N 1 1 370.431 0.378 20 5 FCBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609989640 492230340 /nfs/dbraw/zinc/23/03/40/492230340.db2.gz REMJMQQCRVMUJC-GFCCVEGCSA-N 1 1 370.431 0.378 20 5 FCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000610885710 492266230 /nfs/dbraw/zinc/26/62/30/492266230.db2.gz PIBVFHDOWBKKSL-CQSZACIVSA-N 1 1 352.395 0.298 20 5 FCBDMO Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000610907044 492268809 /nfs/dbraw/zinc/26/88/09/492268809.db2.gz XSOTTZIYBWPOML-SMDDNHRTSA-N 1 1 350.375 0.677 20 5 FCBDMO Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000610907044 492268811 /nfs/dbraw/zinc/26/88/11/492268811.db2.gz XSOTTZIYBWPOML-SMDDNHRTSA-N 1 1 350.375 0.677 20 5 FCBDMO CC[N@@H+]1CCN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C[C@H]1C ZINC000611088164 492277652 /nfs/dbraw/zinc/27/76/52/492277652.db2.gz HMVRPGYHUYICHT-SNVBAGLBSA-N 1 1 370.431 0.717 20 5 FCBDMO 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CC(=O)NCC(=O)N1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000859781942 1209829257 /nfs/dbraw/zinc/82/92/57/1209829257.db2.gz JOJPFPMJRTUUEU-MRXNPFEDSA-N 1 1 364.402 0.299 20 5 FCBDMO C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000932697881 1211817197 /nfs/dbraw/zinc/81/71/97/1211817197.db2.gz XIMGEYLYTBTITL-HOTGVXAUSA-N 1 1 360.414 0.979 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC2(CC[NH+](CC3CCOCC3)CC2)C1 ZINC000949092292 1212289042 /nfs/dbraw/zinc/28/90/42/1212289042.db2.gz SPJPMDIKXDCOPZ-HZPDHXFCSA-N 1 1 367.446 0.772 20 5 FCBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000954241399 1213050974 /nfs/dbraw/zinc/05/09/74/1213050974.db2.gz JAEAUNRXSYMJNE-HZPDHXFCSA-N 1 1 360.414 0.696 20 5 FCBDMO CC1CC[NH+](CC(=O)N2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)CC1 ZINC001019015285 1214180097 /nfs/dbraw/zinc/18/00/97/1214180097.db2.gz PXPUCBXQROQHNE-HUUCEWRRSA-N 1 1 364.446 0.444 20 5 FCBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2cnnn2-c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139529 1214313998 /nfs/dbraw/zinc/31/39/98/1214313998.db2.gz CYDFZMBABGIWLW-CZPYZCIJSA-N 1 1 356.386 0.669 20 5 FCBDMO Cn1cnnc1C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001039486054 1214378758 /nfs/dbraw/zinc/37/87/58/1214378758.db2.gz ZSPLXESOZJGLLX-HUUCEWRRSA-N 1 1 362.434 0.683 20 5 FCBDMO NC(=O)c1cccc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)c1 ZINC001048814367 1218318857 /nfs/dbraw/zinc/31/88/57/1218318857.db2.gz HSNVAUKTELQHOH-QKPAOTATSA-N 1 1 358.398 0.341 20 5 FCBDMO NC(=O)c1cccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)c1 ZINC001048814367 1218318861 /nfs/dbraw/zinc/31/88/61/1218318861.db2.gz HSNVAUKTELQHOH-QKPAOTATSA-N 1 1 358.398 0.341 20 5 FCBDMO NC(=O)c1cccc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)c1 ZINC001048814367 1218318865 /nfs/dbraw/zinc/31/88/65/1218318865.db2.gz HSNVAUKTELQHOH-QKPAOTATSA-N 1 1 358.398 0.341 20 5 FCBDMO O=C(Cc1ccoc1)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055574858 1219083722 /nfs/dbraw/zinc/08/37/22/1219083722.db2.gz AOFKITMBKMNTTR-HUUCEWRRSA-N 1 1 364.402 0.184 20 5 FCBDMO O=C(NCC[NH+]1CCC(NC(=O)C2(CCF)CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001055575015 1219084119 /nfs/dbraw/zinc/08/41/19/1219084119.db2.gz IHOKRTPGAZGVPQ-ZIAGYGMSSA-N 1 1 370.425 0.488 20 5 FCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@@H+](CCO)CCC2CCOCC2)CC1 ZINC001098365374 1219767135 /nfs/dbraw/zinc/76/71/35/1219767135.db2.gz LQCMROLWQUZXMH-IAGOWNOFSA-N 1 1 369.462 0.754 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@H+](CCO)CCC2CCOCC2)CC1 ZINC001098365374 1219767138 /nfs/dbraw/zinc/76/71/38/1219767138.db2.gz LQCMROLWQUZXMH-IAGOWNOFSA-N 1 1 369.462 0.754 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@@H+](CCO)CCC2CCOCC2)CC1 ZINC001098365374 1219767141 /nfs/dbraw/zinc/76/71/41/1219767141.db2.gz LQCMROLWQUZXMH-IAGOWNOFSA-N 1 1 369.462 0.754 20 5 FCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001117347969 1221526944 /nfs/dbraw/zinc/52/69/44/1221526944.db2.gz XZFMNMZRQNBRDT-WBMJQRKESA-N 1 1 360.414 0.852 20 5 FCBDMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001117809312 1221625002 /nfs/dbraw/zinc/62/50/02/1221625002.db2.gz GOZAGADKIUDJFO-HNNXBMFYSA-N 1 1 361.402 0.908 20 5 FCBDMO CC(C)NC(=O)NCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001121087509 1222146752 /nfs/dbraw/zinc/14/67/52/1222146752.db2.gz LGLNALLHPIGORN-FZOOGMQUSA-N 1 1 367.450 0.376 20 5 FCBDMO COCC[NH+]1CCN(c2nnc(-c3c[nH]c(=O)c([N+](=O)[O-])c3)n2C)CC1 ZINC001122905028 1222305682 /nfs/dbraw/zinc/30/56/82/1222305682.db2.gz MXMJYHABDKJKNG-UHFFFAOYSA-N 1 1 363.378 0.259 20 5 FCBDMO O=[N+]([O-])Cc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@H]1CCCCO1 ZINC001123277129 1222327743 /nfs/dbraw/zinc/32/77/43/1222327743.db2.gz ZMSQYKULQVCVPQ-ZIAGYGMSSA-N 1 1 366.422 0.145 20 5 FCBDMO O=[N+]([O-])Cc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@H]1CCCCO1 ZINC001123277129 1222327751 /nfs/dbraw/zinc/32/77/51/1222327751.db2.gz ZMSQYKULQVCVPQ-ZIAGYGMSSA-N 1 1 366.422 0.145 20 5 FCBDMO O=[N+]([O-])Cc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@@H]1CCCCO1 ZINC001123277126 1222328290 /nfs/dbraw/zinc/32/82/90/1222328290.db2.gz ZMSQYKULQVCVPQ-KBPBESRZSA-N 1 1 366.422 0.145 20 5 FCBDMO O=[N+]([O-])Cc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@@H]1CCCCO1 ZINC001123277126 1222328292 /nfs/dbraw/zinc/32/82/92/1222328292.db2.gz ZMSQYKULQVCVPQ-KBPBESRZSA-N 1 1 366.422 0.145 20 5 FCBDMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001123667853 1222348016 /nfs/dbraw/zinc/34/80/16/1222348016.db2.gz KPHJUUBSXVUPRK-IPYPFGDCSA-N 1 1 360.418 0.391 20 5 FCBDMO C[NH+](C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841061512 1222806799 /nfs/dbraw/zinc/80/67/99/1222806799.db2.gz ZWVLYRDEMDTACG-BZUAXINKSA-N 1 1 360.414 0.283 20 5 FCBDMO NC(=O)c1cccc(C[NH2+]CC2(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001164490189 1223239206 /nfs/dbraw/zinc/23/92/06/1223239206.db2.gz BVBSBUNCPNNOQI-HUUCEWRRSA-N 1 1 360.414 0.827 20 5 FCBDMO CC(C)(C)NC(=O)NCC[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164494584 1223239358 /nfs/dbraw/zinc/23/93/58/1223239358.db2.gz NKEPBNUQHFJZMO-CHWSQXEVSA-N 1 1 369.466 0.625 20 5 FCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000775503049 1245307966 /nfs/dbraw/zinc/30/79/66/1245307966.db2.gz BOZQMHIKSFBSGV-GFCCVEGCSA-N 1 1 367.406 0.622 20 5 FCBDMO COC(=O)CC[N@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000775503049 1245307967 /nfs/dbraw/zinc/30/79/67/1245307967.db2.gz BOZQMHIKSFBSGV-GFCCVEGCSA-N 1 1 367.406 0.622 20 5 FCBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000800617931 1245312272 /nfs/dbraw/zinc/31/22/72/1245312272.db2.gz ZTUSMVBGKZGDGB-MFKMUULPSA-N 1 1 368.365 0.816 20 5 FCBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000800617931 1245312274 /nfs/dbraw/zinc/31/22/74/1245312274.db2.gz ZTUSMVBGKZGDGB-MFKMUULPSA-N 1 1 368.365 0.816 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCN(C(=O)C13CC[NH+](CC1)C3)CC2 ZINC000944983361 1247700664 /nfs/dbraw/zinc/70/06/64/1247700664.db2.gz YYABOMIKULYDRZ-ZIAGYGMSSA-N 1 1 362.430 0.198 20 5 FCBDMO CN1CCN(c2ccccc2C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001327977892 1265466173 /nfs/dbraw/zinc/46/61/73/1265466173.db2.gz KIPQSDNVVTWCGG-QGZVFWFLSA-N 1 1 374.445 0.694 20 5 FCBDMO CN1CCN(c2ccccc2C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001327977890 1265466186 /nfs/dbraw/zinc/46/61/86/1265466186.db2.gz KIPQSDNVVTWCGG-KRWDZBQOSA-N 1 1 374.445 0.694 20 5 FCBDMO Cn1nnc2cc(C[NH2+]C3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC3)ccc21 ZINC000996428846 1251345524 /nfs/dbraw/zinc/34/55/24/1251345524.db2.gz IXIHKIRWPWUUAL-CZUORRHYSA-N 1 1 358.402 0.714 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2nnnn2-c2ccccc2)CC1 ZINC000996439923 1251347755 /nfs/dbraw/zinc/34/77/55/1251347755.db2.gz JNRYGTMVLZVHLX-HUUCEWRRSA-N 1 1 371.401 0.408 20 5 FCBDMO CC(C)(C)n1nnnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000997767506 1251694224 /nfs/dbraw/zinc/69/42/24/1251694224.db2.gz GIPBLZMKODERSY-CHWSQXEVSA-N 1 1 365.438 0.422 20 5 FCBDMO CN(C)c1[nH+]cc(CNC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])n1C ZINC001329473634 1265763444 /nfs/dbraw/zinc/76/34/44/1265763444.db2.gz PXMJJTHVVJSIPJ-UHFFFAOYSA-N 1 1 374.401 0.369 20 5 FCBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001079746682 1255591074 /nfs/dbraw/zinc/59/10/74/1255591074.db2.gz DIQPIKBGQLSMFD-HZPDHXFCSA-N 1 1 366.462 0.977 20 5 FCBDMO Cc1c(C(=O)N2CC([NH2+]C3COC3)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC001304207310 1263136510 /nfs/dbraw/zinc/13/65/10/1263136510.db2.gz DQMATTXFNHDRMI-UHFFFAOYSA-N 1 1 358.358 0.297 20 5 FCBDMO C[C@@H]1C[N@H+](CCCCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC001319370371 1263685098 /nfs/dbraw/zinc/68/50/98/1263685098.db2.gz QTDNLUADYPIQHW-OKILXGFUSA-N 1 1 366.418 0.762 20 5 FCBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001321781552 1264059527 /nfs/dbraw/zinc/05/95/27/1264059527.db2.gz ZBLWACVCEDLLNB-MRXNPFEDSA-N 1 1 360.414 0.950 20 5 FCBDMO COc1ccc(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC001321813552 1264069107 /nfs/dbraw/zinc/06/91/07/1264069107.db2.gz HRZRBBMCGPWGOF-UHFFFAOYSA-N 1 1 364.402 0.772 20 5 FCBDMO CC[N@H+]1CCCN(C(=O)C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC001323941013 1264544893 /nfs/dbraw/zinc/54/48/93/1264544893.db2.gz NGKSPZDMWNPMKH-UHFFFAOYSA-N 1 1 364.402 0.774 20 5 FCBDMO COCCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001514611756 1265363598 /nfs/dbraw/zinc/36/35/98/1265363598.db2.gz WZIDBSRTASIVNE-KBPBESRZSA-N 1 1 368.438 0.563 20 5 FCBDMO COCC[NH+]1CCN(c2nnc(-c3ccc(N)c([N+](=O)[O-])c3)n2C)CC1 ZINC001514983793 1265390585 /nfs/dbraw/zinc/39/05/85/1265390585.db2.gz DWDHQOWLLCFJHE-UHFFFAOYSA-N 1 1 361.406 0.741 20 5 FCBDMO Cn1c(C[N+](=O)[O-])nnc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC001338839348 1268104963 /nfs/dbraw/zinc/10/49/63/1268104963.db2.gz VNARAKSMLAJBKV-UHFFFAOYSA-N 1 1 374.401 0.685 20 5 FCBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(CCC[N+](=O)[O-])n1C ZINC001339628773 1268286174 /nfs/dbraw/zinc/28/61/74/1268286174.db2.gz JKUYWUUZWUXDIS-UHFFFAOYSA-N 1 1 354.455 0.819 20 5 FCBDMO CCn1c(CCC[N+](=O)[O-])nnc1N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001340763618 1268648692 /nfs/dbraw/zinc/64/86/92/1268648692.db2.gz RXNURBHYYLGLJV-UHFFFAOYSA-N 1 1 365.482 0.724 20 5 FCBDMO COCCn1c(C[N+](=O)[O-])nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001341623692 1269116728 /nfs/dbraw/zinc/11/67/28/1269116728.db2.gz OJYOZJJHPFXNSO-ZDUSSCGKSA-N 1 1 368.438 0.391 20 5 FCBDMO COCCn1c(C[N+](=O)[O-])nnc1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC001343046821 1269745843 /nfs/dbraw/zinc/74/58/43/1269745843.db2.gz GZVBIAFPBSQXFV-BETUJISGSA-N 1 1 356.427 0.247 20 5 FCBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3nc[nH]c3C23CC[NH2+]CC3)n1 ZINC001578350769 1275720063 /nfs/dbraw/zinc/72/00/63/1275720063.db2.gz YUWFQYGLVHZKCC-UHFFFAOYSA-N 1 1 359.390 0.812 20 5 FCBDMO Cc1cc(N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)c(F)cc1[N+](=O)[O-] ZINC001579622687 1277668830 /nfs/dbraw/zinc/66/88/30/1277668830.db2.gz SRORYRQQNVJFBS-UHFFFAOYSA-N 1 1 358.395 0.466 20 5 FCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001582660573 1281850042 /nfs/dbraw/zinc/85/00/42/1281850042.db2.gz XNOJATZTFRAJEU-HUUCEWRRSA-N 1 1 371.401 0.566 20 5 FCBDMO C[C@@H](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)[NH+](C)C ZINC001589831452 1283072359 /nfs/dbraw/zinc/07/23/59/1283072359.db2.gz YRXVBSSUTOXKFY-VIFPVBQESA-N 1 1 369.407 0.393 20 5 FCBDMO CC1(C)COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1 ZINC001590111054 1283223886 /nfs/dbraw/zinc/22/38/86/1283223886.db2.gz GFZFUSLVPAWJQS-UHFFFAOYSA-N 1 1 362.394 0.880 20 5 FCBDMO CC1(C)COCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1 ZINC001590111054 1283223888 /nfs/dbraw/zinc/22/38/88/1283223888.db2.gz GFZFUSLVPAWJQS-UHFFFAOYSA-N 1 1 362.394 0.880 20 5 FCBDMO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001591003240 1284062745 /nfs/dbraw/zinc/06/27/45/1284062745.db2.gz NHUIKJFTOKPWIC-ZDUSSCGKSA-N 1 1 374.405 0.963 20 5 FCBDMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001591003240 1284062750 /nfs/dbraw/zinc/06/27/50/1284062750.db2.gz NHUIKJFTOKPWIC-ZDUSSCGKSA-N 1 1 374.405 0.963 20 5 FCBDMO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001593117268 1286014502 /nfs/dbraw/zinc/01/45/02/1286014502.db2.gz QNXWCSIFMGIMEI-NMFUWQPSSA-N 1 1 371.401 0.516 20 5 FCBDMO C[N@H+]1CCC[C@H](N2CCN(c3cc(-c4nn[nH]n4)ccc3[N+](=O)[O-])CC2)C1 ZINC001609284234 1289046826 /nfs/dbraw/zinc/04/68/26/1289046826.db2.gz GXJKVCQLQILSIU-AWEZNQCLSA-N 1 1 372.433 0.991 20 5 FCBDMO Nc1cc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001606451783 1288324803 /nfs/dbraw/zinc/32/48/03/1288324803.db2.gz YMJVEBPTZCJZAF-PHIMTYICSA-N 1 1 360.378 0.632 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001609502013 1289183513 /nfs/dbraw/zinc/18/35/13/1289183513.db2.gz DKYPKZDLNSJSFU-LLVKDONJSA-N 1 1 374.405 0.774 20 5 FCBDMO CC(C)NC(=O)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001699687545 1289561253 /nfs/dbraw/zinc/56/12/53/1289561253.db2.gz DSPDXNRIKKQGQO-HZPDHXFCSA-N 1 1 366.462 0.879 20 5 FCBDMO CC(C)NC(=O)C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001699687545 1289561260 /nfs/dbraw/zinc/56/12/60/1289561260.db2.gz DSPDXNRIKKQGQO-HZPDHXFCSA-N 1 1 366.462 0.879 20 5 FCBDMO CC(C)NC(=O)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001699687545 1289561268 /nfs/dbraw/zinc/56/12/68/1289561268.db2.gz DSPDXNRIKKQGQO-HZPDHXFCSA-N 1 1 366.462 0.879 20 5 FCBDMO COC(=O)c1nc(Cl)nc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001164667556 719379418 /nfs/dbraw/zinc/37/94/18/719379418.db2.gz KDKGRCGBIPGWAR-JGVFFNPUSA-N 1 1 357.754 0.344 20 5 FCBDMO COc1nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164741693 720605217 /nfs/dbraw/zinc/60/52/17/720605217.db2.gz LXZOPHVMGVIRFO-RYUDHWBXSA-N 1 1 373.373 0.525 20 5 FCBDMO COc1ncnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164737829 720696084 /nfs/dbraw/zinc/69/60/84/720696084.db2.gz HFWGBYXBWWZHEF-RYUDHWBXSA-N 1 1 373.373 0.525 20 5 FCBDMO Nc1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164740516 720716152 /nfs/dbraw/zinc/71/61/52/720716152.db2.gz QROFRKNYXFRCNX-NEPJUHHUSA-N 1 1 357.374 0.704 20 5 FCBDMO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+](CCCCO)CC1 ZINC000750172253 836409054 /nfs/dbraw/zinc/40/90/54/836409054.db2.gz XHCVWZKGEIQNFV-UHFFFAOYSA-N 1 1 358.420 0.137 20 5 FCBDMO O=C(NCC1([NH2+]CCN2CCCC2=O)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001115530674 846561219 /nfs/dbraw/zinc/56/12/19/846561219.db2.gz KNXJSWJWBMFSKC-ZIAGYGMSSA-N 1 1 352.435 0.683 20 5 FCBDMO CCN(CC)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001115530710 846561801 /nfs/dbraw/zinc/56/18/01/846561801.db2.gz NALBKHQRZJJNSG-ZIAGYGMSSA-N 1 1 354.451 0.929 20 5 FCBDMO O=C(NCCC[NH2+]CCCS(=O)(=O)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767715 849991863 /nfs/dbraw/zinc/99/18/63/849991863.db2.gz SACXLQYFFTWWLY-HUUCEWRRSA-N 1 1 369.443 0.612 20 5 FCBDMO CS(=O)(=O)c1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001157767664 849992165 /nfs/dbraw/zinc/99/21/65/849992165.db2.gz RGPMGSUBIKZRGE-ZIAGYGMSSA-N 1 1 355.416 0.351 20 5 FCBDMO CCN(C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC001157775633 849994591 /nfs/dbraw/zinc/99/45/91/849994591.db2.gz SUMPDEHBFBMPGG-HUUCEWRRSA-N 1 1 354.451 0.929 20 5 FCBDMO COC(=O)c1nc(Cl)nc(-n2[nH]c(=O)c(CC[NH3+])c2C)c1[N+](=O)[O-] ZINC001159294155 850106716 /nfs/dbraw/zinc/10/67/16/850106716.db2.gz VSTQDKXHFVCVLA-UHFFFAOYSA-N 1 1 356.726 0.526 20 5 FCBDMO CC(C)N(C)C(=O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160098067 850153754 /nfs/dbraw/zinc/15/37/54/850153754.db2.gz RMTKWXYBBOMOMT-HUUCEWRRSA-N 1 1 352.435 0.657 20 5 FCBDMO Cc1nc(C)n(CC[NH2+]CC2(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001164494382 850413962 /nfs/dbraw/zinc/41/39/62/850413962.db2.gz HZPBBRALGSQORT-ZIAGYGMSSA-N 1 1 350.423 0.436 20 5 FCBDMO COCCC[NH+]1CCN(c2nc(Cl)nc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC001165097156 850423326 /nfs/dbraw/zinc/42/33/26/850423326.db2.gz FXFJMVIFWYGBHR-UHFFFAOYSA-N 1 1 373.797 0.983 20 5 FCBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[NH2+][C@@H](C(N)=O)C1 ZINC001166724323 850497585 /nfs/dbraw/zinc/49/75/85/850497585.db2.gz SHOOWXRVSTZGKI-MRVPVSSYSA-N 1 1 357.754 0.083 20 5 FCBDMO COCCN1CCO[C@H]2C[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@H]2C1=O ZINC001169025720 850603154 /nfs/dbraw/zinc/60/31/54/850603154.db2.gz UHOOYGQUCUQQOR-JONQDZQNSA-N 1 1 355.435 0.628 20 5 FCBDMO CN(C)S(=O)(=O)N1CC[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]2C1 ZINC001169023584 850603605 /nfs/dbraw/zinc/60/36/05/850603605.db2.gz PCIRDQUKHBOSBJ-APIJFGDWSA-N 1 1 360.480 0.492 20 5 FCBDMO COC(=O)C[N@H+](C)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173699234 850734081 /nfs/dbraw/zinc/73/40/81/850734081.db2.gz HCVSRKDJHKPEBC-UHFFFAOYSA-N 1 1 371.415 0.853 20 5 FCBDMO COC(=O)C[N@@H+](C)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173699234 850734091 /nfs/dbraw/zinc/73/40/91/850734091.db2.gz HCVSRKDJHKPEBC-UHFFFAOYSA-N 1 1 371.415 0.853 20 5 FCBDMO CNC(=O)C[N@@H+](C)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173697971 850734537 /nfs/dbraw/zinc/73/45/37/850734537.db2.gz YIROUYZBPDYBOZ-UHFFFAOYSA-N 1 1 370.431 0.426 20 5 FCBDMO NC(=O)C1(N2CCCCC2)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001308039931 866692696 /nfs/dbraw/zinc/69/26/96/866692696.db2.gz MRBACPRTIKTPJT-UHFFFAOYSA-N 1 1 350.423 0.597 20 5 FCBDMO CNC(=O)C1([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001308084759 866697463 /nfs/dbraw/zinc/69/74/63/866697463.db2.gz ZZFXKTIXPYRZGN-UHFFFAOYSA-N 1 1 371.415 0.253 20 5 FCBDMO COc1c(O)ccc(C[NH2+]CC2(S(=O)(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC001308943808 866724203 /nfs/dbraw/zinc/72/42/03/866724203.db2.gz SUUKKLSQJXCPRR-UHFFFAOYSA-N 1 1 359.404 0.823 20 5 FCBDMO C[C@H](NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC001321513102 868500252 /nfs/dbraw/zinc/50/02/52/868500252.db2.gz RXWGSFNXFDQNLS-FZMZJTMJSA-N 1 1 350.375 0.046 20 5 FCBDMO C[C@H](NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC001321513102 868500258 /nfs/dbraw/zinc/50/02/58/868500258.db2.gz RXWGSFNXFDQNLS-FZMZJTMJSA-N 1 1 350.375 0.046 20 5 FCBDMO C[C@@H](c1nnc(N2CC[NH+]([C@@H]3CCOC3)CC2)n1CC1CC1)[N+](=O)[O-] ZINC001348155481 872611808 /nfs/dbraw/zinc/61/18/08/872611808.db2.gz ZOBOKNBXKDZZDW-GXTWGEPZSA-N 1 1 350.423 0.937 20 5 FCBDMO CC[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H](C)CO ZINC000292077339 214075499 /nfs/dbraw/zinc/07/54/99/214075499.db2.gz DGQJCNKMMPPYPL-CQSZACIVSA-N 1 1 350.419 0.946 20 5 FCBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292196120 214084797 /nfs/dbraw/zinc/08/47/97/214084797.db2.gz NNWXREHZXHFAGK-QWHCGFSZSA-N 1 1 373.431 0.300 20 5 FCBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292292547 214091697 /nfs/dbraw/zinc/09/16/97/214091697.db2.gz UIDMCHHMYSGZRW-GFCCVEGCSA-N 1 1 370.431 0.889 20 5 FCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000294684894 214259906 /nfs/dbraw/zinc/25/99/06/214259906.db2.gz SBSZNOGEXZWRCH-AWEZNQCLSA-N 1 1 358.402 0.961 20 5 FCBDMO COC[C@]1(C(=O)OC)CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000295150299 214280467 /nfs/dbraw/zinc/28/04/67/214280467.db2.gz MADGXVSUQVEKGN-DYVFJYSZSA-N 1 1 368.386 0.846 20 5 FCBDMO Cc1cc(F)c(NC(=O)C(=O)NCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000296000956 214327623 /nfs/dbraw/zinc/32/76/23/214327623.db2.gz LSCQKUFJCIOGRQ-UHFFFAOYSA-N 1 1 368.365 0.819 20 5 FCBDMO COC[C@]1(C(=O)OC)CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000296175389 214335552 /nfs/dbraw/zinc/33/55/52/214335552.db2.gz IAXXYIUZNOLKOM-PBHICJAKSA-N 1 1 368.386 0.846 20 5 FCBDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)C1 ZINC000296594139 214355795 /nfs/dbraw/zinc/35/57/95/214355795.db2.gz QTYHETMTNDSRKX-NSHDSACASA-N 1 1 368.365 0.818 20 5 FCBDMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000299014581 214649804 /nfs/dbraw/zinc/64/98/04/214649804.db2.gz LBWSDYUITDIJQG-STQMWFEESA-N 1 1 372.381 0.934 20 5 FCBDMO CN(CC(=O)NC[C@H]1CCC[N@H+]1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000265719857 210206097 /nfs/dbraw/zinc/20/60/97/210206097.db2.gz YSJGXEDROALFLE-CYBMUJFWSA-N 1 1 370.431 0.426 20 5 FCBDMO COCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N(C)C ZINC000265480296 210145283 /nfs/dbraw/zinc/14/52/83/210145283.db2.gz KOVDURQJYOAENG-UHFFFAOYSA-N 1 1 352.391 0.960 20 5 FCBDMO COCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N(C)C ZINC000265480296 210145287 /nfs/dbraw/zinc/14/52/87/210145287.db2.gz KOVDURQJYOAENG-UHFFFAOYSA-N 1 1 352.391 0.960 20 5 FCBDMO Cc1c(C(=O)N2CC[NH+](C(C)C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000265440520 210135336 /nfs/dbraw/zinc/13/53/36/210135336.db2.gz YXGMPXFIIRPLOY-UHFFFAOYSA-N 1 1 370.431 0.717 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262548917 209610473 /nfs/dbraw/zinc/61/04/73/209610473.db2.gz UGRMDLBHWZGIPP-CYBMUJFWSA-N 1 1 362.386 0.640 20 5 FCBDMO Cc1cc(NC(=O)C(=O)NCCC[N@H+](C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000411530513 237005537 /nfs/dbraw/zinc/00/55/37/237005537.db2.gz UUCJFPZTVAGNGH-UHFFFAOYSA-N 1 1 365.434 0.841 20 5 FCBDMO Cc1cc(NC(=O)C(=O)NCCCN(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000411530513 237005551 /nfs/dbraw/zinc/00/55/51/237005551.db2.gz UUCJFPZTVAGNGH-UHFFFAOYSA-N 1 1 365.434 0.841 20 5 FCBDMO NC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000411968121 237128520 /nfs/dbraw/zinc/12/85/20/237128520.db2.gz NRWUUBZBDNHTBO-SFHVURJKSA-N 1 1 356.382 0.886 20 5 FCBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000368855553 216309074 /nfs/dbraw/zinc/30/90/74/216309074.db2.gz KZQDMBVWLVUEQE-KBPBESRZSA-N 1 1 355.416 0.877 20 5 FCBDMO C[N@H+]1CCC[C@H](N2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)C1 ZINC000369359205 216389827 /nfs/dbraw/zinc/38/98/27/216389827.db2.gz PYTUGQMJODKSDZ-INIZCTEOSA-N 1 1 361.446 0.906 20 5 FCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@H](C)C1 ZINC000188689787 209235317 /nfs/dbraw/zinc/23/53/17/209235317.db2.gz WBOHLQMLMDEMTA-CHWSQXEVSA-N 1 1 374.401 0.703 20 5 FCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@H](C)C1 ZINC000188689787 209235322 /nfs/dbraw/zinc/23/53/22/209235322.db2.gz WBOHLQMLMDEMTA-CHWSQXEVSA-N 1 1 374.401 0.703 20 5 FCBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000276223040 212189418 /nfs/dbraw/zinc/18/94/18/212189418.db2.gz NBIBVRRZAGSNKT-GFCCVEGCSA-N 1 1 369.399 0.850 20 5 FCBDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000275916954 212119445 /nfs/dbraw/zinc/11/94/45/212119445.db2.gz LPQOXAVMMROTGX-GFCCVEGCSA-N 1 1 364.402 0.837 20 5 FCBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000275916954 212119446 /nfs/dbraw/zinc/11/94/46/212119446.db2.gz LPQOXAVMMROTGX-GFCCVEGCSA-N 1 1 364.402 0.837 20 5 FCBDMO CC[NH+]1CCN(CCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000275868570 212107159 /nfs/dbraw/zinc/10/71/59/212107159.db2.gz JYBMIHOHYPNRCS-UHFFFAOYSA-N 1 1 360.411 0.650 20 5 FCBDMO C[C@@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC[N@@H+]1CC(C)(C)O ZINC000275476197 212033500 /nfs/dbraw/zinc/03/35/00/212033500.db2.gz IWZLQHQEYZHAPJ-LLVKDONJSA-N 1 1 372.447 0.524 20 5 FCBDMO C[C@@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC[N@H+]1CC(C)(C)O ZINC000275476197 212033503 /nfs/dbraw/zinc/03/35/03/212033503.db2.gz IWZLQHQEYZHAPJ-LLVKDONJSA-N 1 1 372.447 0.524 20 5 FCBDMO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)nn1 ZINC000375210468 217232612 /nfs/dbraw/zinc/23/26/12/217232612.db2.gz JLNUDDGIMCEIDN-GFCCVEGCSA-N 1 1 374.357 0.519 20 5 FCBDMO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)nn1 ZINC000375210468 217232616 /nfs/dbraw/zinc/23/26/16/217232616.db2.gz JLNUDDGIMCEIDN-GFCCVEGCSA-N 1 1 374.357 0.519 20 5 FCBDMO NC(=O)CN1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000181771210 209122578 /nfs/dbraw/zinc/12/25/78/209122578.db2.gz BACNPHNUUKWOEH-UHFFFAOYSA-N 1 1 353.354 0.165 20 5 FCBDMO C[C@H](CO)[N@H+]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000375500310 217274484 /nfs/dbraw/zinc/27/44/84/217274484.db2.gz XPQPULHYMVMNDQ-ZBFHGGJFSA-N 1 1 353.419 0.723 20 5 FCBDMO C[C@H](CO)N1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000375500310 217274487 /nfs/dbraw/zinc/27/44/87/217274487.db2.gz XPQPULHYMVMNDQ-ZBFHGGJFSA-N 1 1 353.419 0.723 20 5 FCBDMO C[C@H](CO)N1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000375500310 217274490 /nfs/dbraw/zinc/27/44/90/217274490.db2.gz XPQPULHYMVMNDQ-ZBFHGGJFSA-N 1 1 353.419 0.723 20 5 FCBDMO COC(=O)c1cnc([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000424729505 247271806 /nfs/dbraw/zinc/27/18/06/247271806.db2.gz MBFDORIKTUWKHD-WCBMZHEXSA-N 1 1 355.376 0.746 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445186126 248375445 /nfs/dbraw/zinc/37/54/45/248375445.db2.gz RHPWPWGUESIDJU-SNVBAGLBSA-N 1 1 351.363 0.013 20 5 FCBDMO Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000446226132 248385614 /nfs/dbraw/zinc/38/56/14/248385614.db2.gz KFYZIFDNDPLEML-UHFFFAOYSA-N 1 1 350.375 0.680 20 5 FCBDMO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000446226132 248385616 /nfs/dbraw/zinc/38/56/16/248385616.db2.gz KFYZIFDNDPLEML-UHFFFAOYSA-N 1 1 350.375 0.680 20 5 FCBDMO COC(=O)c1cc(C(=O)NC[C@H]2CCC[N@H+]2CCCO)cc([N+](=O)[O-])c1 ZINC000452354617 249309919 /nfs/dbraw/zinc/30/99/19/249309919.db2.gz VUNYTNFDJAATQF-CQSZACIVSA-N 1 1 365.386 0.958 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000453927066 249388974 /nfs/dbraw/zinc/38/89/74/249388974.db2.gz DOFLALNDCMIINJ-BETUJISGSA-N 1 1 364.402 0.755 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000453927066 249388978 /nfs/dbraw/zinc/38/89/78/249388978.db2.gz DOFLALNDCMIINJ-BETUJISGSA-N 1 1 364.402 0.755 20 5 FCBDMO COC(=O)C1(O)CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000271415779 211396437 /nfs/dbraw/zinc/39/64/37/211396437.db2.gz OEZMSUPICGKXPX-CYBMUJFWSA-N 1 1 354.359 0.334 20 5 FCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000270889449 211293499 /nfs/dbraw/zinc/29/34/99/211293499.db2.gz QAWDVDYDEFVAQA-RDJZCZTQSA-N 1 1 373.413 0.791 20 5 FCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000270857510 211285353 /nfs/dbraw/zinc/28/53/53/211285353.db2.gz JEZMOQNLWOKDQW-ZDUSSCGKSA-N 1 1 364.402 0.757 20 5 FCBDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000270583704 211229511 /nfs/dbraw/zinc/22/95/11/211229511.db2.gz RGQVLDSRDCIBLZ-KGLIPLIRSA-N 1 1 366.418 0.620 20 5 FCBDMO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472563299 250161064 /nfs/dbraw/zinc/16/10/64/250161064.db2.gz KUYIWSOKYJXICY-UHFFFAOYSA-N 1 1 356.354 0.757 20 5 FCBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000472599657 250165708 /nfs/dbraw/zinc/16/57/08/250165708.db2.gz NTENILQMCKDXOV-MNOVXSKESA-N 1 1 368.365 0.586 20 5 FCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000472599657 250165710 /nfs/dbraw/zinc/16/57/10/250165710.db2.gz NTENILQMCKDXOV-MNOVXSKESA-N 1 1 368.365 0.586 20 5 FCBDMO CC[N@@H+](CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269704643 211050396 /nfs/dbraw/zinc/05/03/96/211050396.db2.gz SDDUUCLQAALHMF-UHFFFAOYSA-N 1 1 370.431 0.474 20 5 FCBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000068602359 208027872 /nfs/dbraw/zinc/02/78/72/208027872.db2.gz QKYGMGBJVNGKQJ-UHFFFAOYSA-N 1 1 363.418 0.676 20 5 FCBDMO COc1ccccc1C[N@@H+](CCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075713380 208060918 /nfs/dbraw/zinc/06/09/18/208060918.db2.gz NRWPTBPKIRPIKU-OAHLLOKOSA-N 1 1 350.375 0.655 20 5 FCBDMO C[C@H]1CN=C(N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)S1 ZINC000079496985 208091887 /nfs/dbraw/zinc/09/18/87/208091887.db2.gz QLMMJYXVCIHYDR-WCQYABFASA-N 1 1 354.436 0.261 20 5 FCBDMO Cn1cc(N2CC[NH+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000080624823 208093777 /nfs/dbraw/zinc/09/37/77/208093777.db2.gz JRSDLMNOBIVURX-INIZCTEOSA-N 1 1 361.402 0.890 20 5 FCBDMO CN1CC[NH+](CCCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000104211012 208180529 /nfs/dbraw/zinc/18/05/29/208180529.db2.gz DKTRWHNCFFKIRW-UHFFFAOYSA-N 1 1 354.382 0.866 20 5 FCBDMO C[C@@H](C[NH+]1CCN(C)CC1)Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000106483361 208227762 /nfs/dbraw/zinc/22/77/62/208227762.db2.gz ZGEROUUAFXPBBE-NSHDSACASA-N 1 1 357.436 0.290 20 5 FCBDMO C[NH+](C)CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000119986972 208373351 /nfs/dbraw/zinc/37/33/51/208373351.db2.gz QYROPMVBASYOPT-OAHLLOKOSA-N 1 1 369.443 0.715 20 5 FCBDMO CCc1n[nH]c(C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000178004072 209040227 /nfs/dbraw/zinc/04/02/27/209040227.db2.gz LTRDPRVEHPPMSA-GFCCVEGCSA-N 1 1 364.406 0.259 20 5 FCBDMO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000189710063 229256992 /nfs/dbraw/zinc/25/69/92/229256992.db2.gz FVUFRQFTXYGRHV-ZDUSSCGKSA-N 1 1 359.386 0.919 20 5 FCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(F)c1 ZINC000363690629 488874106 /nfs/dbraw/zinc/87/41/06/488874106.db2.gz IVZHBDNKUPPBAG-NWDGAFQWSA-N 1 1 359.379 0.875 20 5 FCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(F)c1 ZINC000363690629 488874107 /nfs/dbraw/zinc/87/41/07/488874107.db2.gz IVZHBDNKUPPBAG-NWDGAFQWSA-N 1 1 359.379 0.875 20 5 FCBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000278884357 488903372 /nfs/dbraw/zinc/90/33/72/488903372.db2.gz PMWQZEHWBBTYIF-ZDUSSCGKSA-N 1 1 351.407 0.893 20 5 FCBDMO C[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C[C@H]2C1 ZINC000279247225 488927138 /nfs/dbraw/zinc/92/71/38/488927138.db2.gz USRDSFCRUZPBFZ-PHIMTYICSA-N 1 1 358.354 0.211 20 5 FCBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)O1 ZINC000031672519 487763980 /nfs/dbraw/zinc/76/39/80/487763980.db2.gz WJCWRLHHUPEMPB-CHWSQXEVSA-N 1 1 366.418 0.761 20 5 FCBDMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000032333107 487771372 /nfs/dbraw/zinc/77/13/72/487771372.db2.gz VLOAKEVYXYPJHY-UHFFFAOYSA-N 1 1 360.374 0.920 20 5 FCBDMO C[C@@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[N@@H+](C)C1CC1 ZINC000057716010 488274556 /nfs/dbraw/zinc/27/45/56/488274556.db2.gz JLCSGDGPHALTFB-NSHDSACASA-N 1 1 362.386 0.919 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000068575100 488367775 /nfs/dbraw/zinc/36/77/75/488367775.db2.gz CEGXVLDPKNONNN-CQSZACIVSA-N 1 1 353.423 0.963 20 5 FCBDMO COc1ccc(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000068604967 488368380 /nfs/dbraw/zinc/36/83/80/488368380.db2.gz WNKMSIUKYQDPCN-UHFFFAOYSA-N 1 1 364.402 0.886 20 5 FCBDMO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000182663146 488389414 /nfs/dbraw/zinc/38/94/14/488389414.db2.gz WBPWDPNCFRRODU-NSHDSACASA-N 1 1 353.404 0.957 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(Cc3cscn3)CC2)c1 ZINC000075680858 488398434 /nfs/dbraw/zinc/39/84/34/488398434.db2.gz YTQFFBFCBODHGH-AWEZNQCLSA-N 1 1 352.420 0.427 20 5 FCBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000185572613 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C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000457104054 489635786 /nfs/dbraw/zinc/63/57/86/489635786.db2.gz CUSAEJYWFXEMHS-QWHCGFSZSA-N 1 1 364.402 0.238 20 5 FCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000457104054 489635788 /nfs/dbraw/zinc/63/57/88/489635788.db2.gz CUSAEJYWFXEMHS-QWHCGFSZSA-N 1 1 364.402 0.238 20 5 FCBDMO Cn1cc(N2CC[C@@H]([NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)C2=O)cn1 ZINC000376480130 489741257 /nfs/dbraw/zinc/74/12/57/489741257.db2.gz WSWIOOLNMLQKLB-CQSZACIVSA-N 1 1 359.390 0.967 20 5 FCBDMO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1N1CCN(C)CC1 ZINC000490653768 489779555 /nfs/dbraw/zinc/77/95/55/489779555.db2.gz YIOFEHCADNPRPT-HYVNUMGLSA-N 1 1 366.466 0.110 20 5 FCBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1N1CCN(C)CC1 ZINC000490653768 489779557 /nfs/dbraw/zinc/77/95/57/489779557.db2.gz YIOFEHCADNPRPT-HYVNUMGLSA-N 1 1 366.466 0.110 20 5 FCBDMO O=C1NC[C@@H]2C[N@H+](CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)CCN12 ZINC000430943162 489781149 /nfs/dbraw/zinc/78/11/49/489781149.db2.gz GOBQGIOSLOPJCS-GFCCVEGCSA-N 1 1 361.358 0.602 20 5 FCBDMO O=C1NC[C@@H]2C[N@@H+](CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)CCN12 ZINC000430943162 489781153 /nfs/dbraw/zinc/78/11/53/489781153.db2.gz GOBQGIOSLOPJCS-GFCCVEGCSA-N 1 1 361.358 0.602 20 5 FCBDMO NS(=O)(=O)c1cccc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000376898350 489813921 /nfs/dbraw/zinc/81/39/21/489813921.db2.gz VYGKFRYVTBQEQF-WDEREUQCSA-N 1 1 356.404 0.517 20 5 FCBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000563989877 491282339 /nfs/dbraw/zinc/28/23/39/491282339.db2.gz MNCTTWTZOJDZQR-LLVKDONJSA-N 1 1 356.404 0.408 20 5 FCBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000563989877 491282340 /nfs/dbraw/zinc/28/23/40/491282340.db2.gz MNCTTWTZOJDZQR-LLVKDONJSA-N 1 1 356.404 0.408 20 5 FCBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000475671756 489840762 /nfs/dbraw/zinc/84/07/62/489840762.db2.gz BSAFBFQDLJOEJB-MRXNPFEDSA-N 1 1 351.359 0.844 20 5 FCBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@](C)(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000475671755 489841232 /nfs/dbraw/zinc/84/12/32/489841232.db2.gz BSAFBFQDLJOEJB-INIZCTEOSA-N 1 1 351.359 0.844 20 5 FCBDMO CNc1nccc(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000571059821 491283370 /nfs/dbraw/zinc/28/33/70/491283370.db2.gz WMCAOZTWNRDHSY-LBPRGKRZSA-N 1 1 351.407 1.262 20 5 FCBDMO COc1c(C(=O)NCCC(=O)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000476041706 489863944 /nfs/dbraw/zinc/86/39/44/489863944.db2.gz MQJGOASUYYJHDO-UHFFFAOYSA-N 1 1 350.375 0.497 20 5 FCBDMO CCOc1ccc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000434321026 489922060 /nfs/dbraw/zinc/92/20/60/489922060.db2.gz IZRRCXQDGNQBHE-KRWDZBQOSA-N 1 1 367.402 0.807 20 5 FCBDMO [NH3+]CC(F)(F)CNC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000420177158 489941888 /nfs/dbraw/zinc/94/18/88/489941888.db2.gz RSFZRWXIDKMUIM-UHFFFAOYSA-N 1 1 356.329 0.796 20 5 FCBDMO O=C1C[C@@]2(CN1)CCC[N@@H+]([C@@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000462274246 489964805 /nfs/dbraw/zinc/96/48/05/489964805.db2.gz DHCBPGXMOVUORE-RDTXWAMCSA-N 1 1 372.381 0.829 20 5 FCBDMO O=C1C[C@@]2(CN1)CCC[N@H+]([C@@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000462274246 489964807 /nfs/dbraw/zinc/96/48/07/489964807.db2.gz DHCBPGXMOVUORE-RDTXWAMCSA-N 1 1 372.381 0.829 20 5 FCBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H](O)CN1CCOCC1 ZINC000435003848 489973702 /nfs/dbraw/zinc/97/37/02/489973702.db2.gz OEWGKGQDJDNJLF-INIZCTEOSA-N 1 1 366.418 0.548 20 5 FCBDMO C[C@@](O)(CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C[NH+]1CCOCC1 ZINC000478548477 490024380 /nfs/dbraw/zinc/02/43/80/490024380.db2.gz ADEXGNIWTJGYJA-QGZVFWFLSA-N 1 1 362.386 0.889 20 5 FCBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)n1 ZINC000378407238 490059943 /nfs/dbraw/zinc/05/99/43/490059943.db2.gz XQGYLNRBEZRFRM-KGLIPLIRSA-N 1 1 359.386 0.694 20 5 FCBDMO COC(=O)C[C@]1([NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCOC1 ZINC000464605299 490062382 /nfs/dbraw/zinc/06/23/82/490062382.db2.gz ZFBSUYDGDWNTQL-MRXNPFEDSA-N 1 1 367.358 0.854 20 5 FCBDMO CCOc1ccc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000495506105 490081906 /nfs/dbraw/zinc/08/19/06/490081906.db2.gz VDRWJYDTILTNMA-UHFFFAOYSA-N 1 1 364.402 0.887 20 5 FCBDMO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N[C@H]1CC[N@@H+](C3CC3)C1)OCCO2 ZINC000533175308 490189655 /nfs/dbraw/zinc/18/96/55/490189655.db2.gz PBMCTCJUDXACPU-JTQLQIEISA-N 1 1 369.399 0.881 20 5 FCBDMO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N[C@H]1CC[N@H+](C3CC3)C1)OCCO2 ZINC000533175308 490189661 /nfs/dbraw/zinc/18/96/61/490189661.db2.gz PBMCTCJUDXACPU-JTQLQIEISA-N 1 1 369.399 0.881 20 5 FCBDMO CN(CC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000480481311 490197679 /nfs/dbraw/zinc/19/76/79/490197679.db2.gz NLBMKLAOFKJUKI-KRWDZBQOSA-N 1 1 366.418 0.230 20 5 FCBDMO COC[C@H](C)OC[C@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000447305191 490216072 /nfs/dbraw/zinc/21/60/72/490216072.db2.gz LDAUMGWYZWMYDN-GZBFAFLISA-N 1 1 354.407 0.888 20 5 FCBDMO COC[C@H](C)OC[C@@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000447305193 490216189 /nfs/dbraw/zinc/21/61/89/490216189.db2.gz LDAUMGWYZWMYDN-YDHLFZDLSA-N 1 1 354.407 0.888 20 5 FCBDMO CC[NH+]1CCN(CCCCNC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000497967873 490241010 /nfs/dbraw/zinc/24/10/10/490241010.db2.gz KGOFTTYILVPONW-UHFFFAOYSA-N 1 1 352.439 0.634 20 5 FCBDMO C[NH+](C)CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000467642623 490324888 /nfs/dbraw/zinc/32/48/88/490324888.db2.gz ZVLJDISPQUZLPS-CYBMUJFWSA-N 1 1 373.406 0.925 20 5 FCBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CC4(CO)COC4)CC3)nc2c1 ZINC000548160158 490430720 /nfs/dbraw/zinc/43/07/20/490430720.db2.gz AZFPNYDHQAVIOV-UHFFFAOYSA-N 1 1 361.402 0.992 20 5 FCBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000411388379 490445847 /nfs/dbraw/zinc/44/58/47/490445847.db2.gz VKIKVJBNJKEAOU-UHFFFAOYSA-N 1 1 364.402 0.989 20 5 FCBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CCCOCC1 ZINC000411388379 490445852 /nfs/dbraw/zinc/44/58/52/490445852.db2.gz VKIKVJBNJKEAOU-UHFFFAOYSA-N 1 1 364.402 0.989 20 5 FCBDMO NS(=O)(=O)c1cc(NC[C@@H]2CCC[N@H+]2CCCO)cc([N+](=O)[O-])c1 ZINC000450589199 490474198 /nfs/dbraw/zinc/47/41/98/490474198.db2.gz CHAAFKWECIYISJ-LBPRGKRZSA-N 1 1 358.420 0.501 20 5 FCBDMO Nc1nccc(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000548386532 490477051 /nfs/dbraw/zinc/47/70/51/490477051.db2.gz CNKYQBMRYKATPU-CQSZACIVSA-N 1 1 371.397 1.069 20 5 FCBDMO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000564849694 491331183 /nfs/dbraw/zinc/33/11/83/491331183.db2.gz NZYFFCRFIIJHDZ-SNVBAGLBSA-N 1 1 350.418 0.391 20 5 FCBDMO C[C@@H]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000571824193 491331362 /nfs/dbraw/zinc/33/13/62/491331362.db2.gz NJDZOFGEVQYWPE-KOLCDFICSA-N 1 1 368.415 0.597 20 5 FCBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000535697867 490513604 /nfs/dbraw/zinc/51/36/04/490513604.db2.gz CGLJODYBMIGECO-UHFFFAOYSA-N 1 1 359.386 0.970 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC[N@@H+](C)C1 ZINC000413923972 490520689 /nfs/dbraw/zinc/52/06/89/490520689.db2.gz RQHCBZPQGQJWBU-CYBMUJFWSA-N 1 1 367.406 0.361 20 5 FCBDMO C[C@@H]1C[N@H+](CC2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)C[C@H](C)O1 ZINC000524267088 490528740 /nfs/dbraw/zinc/52/87/40/490528740.db2.gz COVJNRVFHRVXET-BETUJISGSA-N 1 1 366.422 0.534 20 5 FCBDMO C[C@@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC[N@@H+]1CC(C)(C)O ZINC000548693417 490530269 /nfs/dbraw/zinc/53/02/69/490530269.db2.gz ZGSUJFCAXBVSEI-LLVKDONJSA-N 1 1 372.447 0.524 20 5 FCBDMO C[C@@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC[N@H+]1CC(C)(C)O ZINC000548693417 490530278 /nfs/dbraw/zinc/53/02/78/490530278.db2.gz ZGSUJFCAXBVSEI-LLVKDONJSA-N 1 1 372.447 0.524 20 5 FCBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548715427 490534995 /nfs/dbraw/zinc/53/49/95/490534995.db2.gz BOAUMUQOJKQDPW-UHFFFAOYSA-N 1 1 351.407 1.002 20 5 FCBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000524417137 490536918 /nfs/dbraw/zinc/53/69/18/490536918.db2.gz LMSZZTSQHAHDSA-GFCCVEGCSA-N 1 1 364.402 0.921 20 5 FCBDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000486391982 490617392 /nfs/dbraw/zinc/61/73/92/490617392.db2.gz DDYXYGBBXHUNIT-VXGBXAGGSA-N 1 1 370.431 0.187 20 5 FCBDMO COc1ccc(C(=O)NCC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000525765881 490629445 /nfs/dbraw/zinc/62/94/45/490629445.db2.gz TYDNGRDAYQOYBY-AAEUAGOBSA-N 1 1 364.402 0.932 20 5 FCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000501739134 490638977 /nfs/dbraw/zinc/63/89/77/490638977.db2.gz KFKDTIYQQLFMLN-GJZGRUSLSA-N 1 1 373.413 0.941 20 5 FCBDMO Cc1c(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000540025410 490805487 /nfs/dbraw/zinc/80/54/87/490805487.db2.gz YXFDVXUCMZMMGY-MNOVXSKESA-N 1 1 370.431 0.715 20 5 FCBDMO Cc1c(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000540025410 490805488 /nfs/dbraw/zinc/80/54/88/490805488.db2.gz YXFDVXUCMZMMGY-MNOVXSKESA-N 1 1 370.431 0.715 20 5 FCBDMO CC(C)(O)C[NH+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000517343634 490904480 /nfs/dbraw/zinc/90/44/80/490904480.db2.gz KABLQEZCSCOHIU-UHFFFAOYSA-N 1 1 365.386 0.895 20 5 FCBDMO CCS(=O)(=O)C[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544572360 490972818 /nfs/dbraw/zinc/97/28/18/490972818.db2.gz JYGGZNAXEUOXEF-NSHDSACASA-N 1 1 364.445 0.781 20 5 FCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000531824189 490975927 /nfs/dbraw/zinc/97/59/27/490975927.db2.gz OFKRMOLHEGLEPK-LLVKDONJSA-N 1 1 358.420 0.124 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CNc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)c1 ZINC000569716660 491184682 /nfs/dbraw/zinc/18/46/82/491184682.db2.gz RSXJFGOPWCUWAN-IAGOWNOFSA-N 1 1 361.402 0.831 20 5 FCBDMO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000573600995 491443370 /nfs/dbraw/zinc/44/33/70/491443370.db2.gz FICWNOPLJOMMRB-GFCCVEGCSA-N 1 1 371.401 0.752 20 5 FCBDMO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000573600999 491443550 /nfs/dbraw/zinc/44/35/50/491443550.db2.gz FICWNOPLJOMMRB-LBPRGKRZSA-N 1 1 371.401 0.752 20 5 FCBDMO Nc1nccc(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000574463842 491498745 /nfs/dbraw/zinc/49/87/45/491498745.db2.gz VVQKZCNNUIVGKR-GOSISDBHSA-N 1 1 371.397 0.939 20 5 FCBDMO COC(=O)c1cc(C(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)cc([N+](=O)[O-])c1 ZINC000567916919 491541749 /nfs/dbraw/zinc/54/17/49/491541749.db2.gz NNHOJCUEUXHKIM-CQSZACIVSA-N 1 1 373.369 0.902 20 5 FCBDMO NC(=O)c1cccc(NCCCCN2CC[NH+](CCO)CC2)c1[N+](=O)[O-] ZINC000561233680 491586816 /nfs/dbraw/zinc/58/68/16/491586816.db2.gz SBFZSTZNKGHBCL-UHFFFAOYSA-N 1 1 365.434 0.496 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@H+](C)C1 ZINC000569329320 491652585 /nfs/dbraw/zinc/65/25/85/491652585.db2.gz ILJDHPIBYMUVAO-SNVBAGLBSA-N 1 1 365.342 0.500 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@@H+](C)C1 ZINC000569329320 491652587 /nfs/dbraw/zinc/65/25/87/491652587.db2.gz ILJDHPIBYMUVAO-SNVBAGLBSA-N 1 1 365.342 0.500 20 5 FCBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000589115414 491755706 /nfs/dbraw/zinc/75/57/06/491755706.db2.gz ZPDAYBQPLAPNPA-GHMZBOCLSA-N 1 1 358.420 0.134 20 5 FCBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000591016337 491793227 /nfs/dbraw/zinc/79/32/27/491793227.db2.gz QTXQHVMHIOWYNJ-SWLSCSKDSA-N 1 1 364.402 0.985 20 5 FCBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000591016337 491793229 /nfs/dbraw/zinc/79/32/29/491793229.db2.gz QTXQHVMHIOWYNJ-SWLSCSKDSA-N 1 1 364.402 0.985 20 5 FCBDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000592388676 491836593 /nfs/dbraw/zinc/83/65/93/491836593.db2.gz MYHVXHKLVJDTNC-ZDUSSCGKSA-N 1 1 357.388 0.262 20 5 FCBDMO CN(C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000583553368 491847362 /nfs/dbraw/zinc/84/73/62/491847362.db2.gz YPCZDNUITDNQIC-LLVKDONJSA-N 1 1 356.404 0.408 20 5 FCBDMO CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000594841881 491864888 /nfs/dbraw/zinc/86/48/88/491864888.db2.gz BOQQKUCIKRALFG-UHFFFAOYSA-N 1 1 372.447 0.376 20 5 FCBDMO Cc1cc(C(=O)NCC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000611851666 491878254 /nfs/dbraw/zinc/87/82/54/491878254.db2.gz DWRLFDGEKWUWJY-IUODEOHRSA-N 1 1 364.402 0.468 20 5 FCBDMO Cc1cc(C(=O)NCC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000611851666 491878257 /nfs/dbraw/zinc/87/82/57/491878257.db2.gz DWRLFDGEKWUWJY-IUODEOHRSA-N 1 1 364.402 0.468 20 5 FCBDMO COc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000611894059 491880991 /nfs/dbraw/zinc/88/09/91/491880991.db2.gz PNTSKBOMXQIBCW-IINYFYTJSA-N 1 1 366.374 0.377 20 5 FCBDMO COc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000611894059 491880992 /nfs/dbraw/zinc/88/09/92/491880992.db2.gz PNTSKBOMXQIBCW-IINYFYTJSA-N 1 1 366.374 0.377 20 5 FCBDMO COC(=O)CN1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000602154842 491964500 /nfs/dbraw/zinc/96/45/00/491964500.db2.gz MCJFTTDQFOFLDJ-CQSZACIVSA-N 1 1 353.375 0.125 20 5 FCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000602197724 491967252 /nfs/dbraw/zinc/96/72/52/491967252.db2.gz IFGGRKGZCBAOQC-UHFFFAOYSA-N 1 1 358.402 0.963 20 5 FCBDMO CN1CCN(C(=O)C[N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000602989552 492010857 /nfs/dbraw/zinc/01/08/57/492010857.db2.gz SYOMNHNEAGYPOO-UHFFFAOYSA-N 1 1 363.418 0.629 20 5 FCBDMO COCC(=O)NC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000603882213 492044567 /nfs/dbraw/zinc/04/45/67/492044567.db2.gz FHWSZVKSGBOLFJ-UHFFFAOYSA-N 1 1 350.375 0.421 20 5 FCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597709023 492060802 /nfs/dbraw/zinc/06/08/02/492060802.db2.gz FZQWXJOIYRRMSO-CYBMUJFWSA-N 1 1 350.375 0.080 20 5 FCBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C1 ZINC000598343454 492095514 /nfs/dbraw/zinc/09/55/14/492095514.db2.gz VLTSMYCMSVRLJD-LLVKDONJSA-N 1 1 370.431 0.765 20 5 FCBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C1 ZINC000598343455 492095563 /nfs/dbraw/zinc/09/55/63/492095563.db2.gz VLTSMYCMSVRLJD-NSHDSACASA-N 1 1 370.431 0.765 20 5 FCBDMO CCC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000598342011 492095665 /nfs/dbraw/zinc/09/56/65/492095665.db2.gz BDNQPPLBXHCRAN-LLVKDONJSA-N 1 1 360.370 0.791 20 5 FCBDMO COCC[N@H+]1CCC[C@@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598594886 492106622 /nfs/dbraw/zinc/10/66/22/492106622.db2.gz NLXWSKNLNMVGTJ-CYBMUJFWSA-N 1 1 366.422 0.744 20 5 FCBDMO COCC[N@@H+](C)CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598896965 492120856 /nfs/dbraw/zinc/12/08/56/492120856.db2.gz SSXWTRRBRPGWAL-UHFFFAOYSA-N 1 1 353.379 0.411 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000599531302 492184488 /nfs/dbraw/zinc/18/44/88/492184488.db2.gz QVULVYRQQQHLKF-SRVKXCTJSA-N 1 1 353.375 0.463 20 5 FCBDMO COCC[N@@H+](C)CCNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000608891297 492195005 /nfs/dbraw/zinc/19/50/05/492195005.db2.gz DVFASHINBBXFHS-LBPRGKRZSA-N 1 1 352.391 0.408 20 5 FCBDMO CNC(=O)c1ccc(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000608885310 492195084 /nfs/dbraw/zinc/19/50/84/492195084.db2.gz JYDURUQBGPKZHS-ZDUSSCGKSA-N 1 1 363.418 0.954 20 5 FCBDMO COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000609279208 492203000 /nfs/dbraw/zinc/20/30/00/492203000.db2.gz TVYSJJKGMOTSRH-LBPRGKRZSA-N 1 1 373.431 0.993 20 5 FCBDMO COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000609279208 492203002 /nfs/dbraw/zinc/20/30/02/492203002.db2.gz TVYSJJKGMOTSRH-LBPRGKRZSA-N 1 1 373.431 0.993 20 5 FCBDMO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000609285547 492203843 /nfs/dbraw/zinc/20/38/43/492203843.db2.gz MIXLPTLVEISTBK-JSGCOSHPSA-N 1 1 363.370 0.995 20 5 FCBDMO C[C@@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1C[N@H+](C)CCO1 ZINC000618394748 492227450 /nfs/dbraw/zinc/22/74/50/492227450.db2.gz NHQKJFUYDXWSIZ-YGRLFVJLSA-N 1 1 362.390 0.989 20 5 FCBDMO C[C@@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000618394748 492227451 /nfs/dbraw/zinc/22/74/51/492227451.db2.gz NHQKJFUYDXWSIZ-YGRLFVJLSA-N 1 1 362.390 0.989 20 5 FCBDMO CC(C)[N@@H+](C)CCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609993901 492230634 /nfs/dbraw/zinc/23/06/34/492230634.db2.gz BNWHAGDLHYDBEB-UHFFFAOYSA-N 1 1 372.447 0.672 20 5 FCBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000610261917 492240519 /nfs/dbraw/zinc/24/05/19/492240519.db2.gz NREFFOLMBJFNIX-ZDUSSCGKSA-N 1 1 370.431 0.865 20 5 FCBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000610261917 492240520 /nfs/dbraw/zinc/24/05/20/492240520.db2.gz NREFFOLMBJFNIX-ZDUSSCGKSA-N 1 1 370.431 0.865 20 5 FCBDMO CN(C(=O)C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000610367719 492243645 /nfs/dbraw/zinc/24/36/45/492243645.db2.gz DWWGDKWINOVYCY-HNNXBMFYSA-N 1 1 353.423 0.875 20 5 FCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000610901023 492267671 /nfs/dbraw/zinc/26/76/71/492267671.db2.gz WTJIGCYVJMNIQW-HUBLWGQQSA-N 1 1 364.402 0.548 20 5 FCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000610901023 492267673 /nfs/dbraw/zinc/26/76/73/492267673.db2.gz WTJIGCYVJMNIQW-HUBLWGQQSA-N 1 1 364.402 0.548 20 5 FCBDMO COC(=O)c1cc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC000610900977 492267959 /nfs/dbraw/zinc/26/79/59/492267959.db2.gz SYBCJRVLTIXXHI-HZMBPMFUSA-N 1 1 351.359 0.830 20 5 FCBDMO COC(=O)c1cc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC000610900977 492267961 /nfs/dbraw/zinc/26/79/61/492267961.db2.gz SYBCJRVLTIXXHI-HZMBPMFUSA-N 1 1 351.359 0.830 20 5 FCBDMO CC[N@H+]1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@H]1C ZINC000611088403 492277901 /nfs/dbraw/zinc/27/79/01/492277901.db2.gz TYWUGWSEKWKJFB-LLVKDONJSA-N 1 1 360.370 0.743 20 5 FCBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000611515918 492289389 /nfs/dbraw/zinc/28/93/89/492289389.db2.gz LBLAEKYKDMUPPN-UHFFFAOYSA-N 1 1 351.359 0.852 20 5 FCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000545862655 546887632 /nfs/dbraw/zinc/88/76/32/546887632.db2.gz QGWQFBRXZWDBLZ-IAQYHMDHSA-N 1 1 354.411 0.010 20 5 FCBDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000592389218 546949380 /nfs/dbraw/zinc/94/93/80/546949380.db2.gz VOJWDHBGJWEBPR-LBPRGKRZSA-N 1 1 373.387 0.129 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593317751 546967152 /nfs/dbraw/zinc/96/71/52/546967152.db2.gz WMLRYLMDLFVWQB-CQSZACIVSA-N 1 1 350.375 0.564 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593317751 546967156 /nfs/dbraw/zinc/96/71/56/546967156.db2.gz WMLRYLMDLFVWQB-CQSZACIVSA-N 1 1 350.375 0.564 20 5 FCBDMO CS(=O)(=O)N1CC[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000593664540 546988389 /nfs/dbraw/zinc/98/83/89/546988389.db2.gz SFNUXHIHWOFPIQ-NSHDSACASA-N 1 1 357.388 0.490 20 5 FCBDMO CC(C)Oc1nc(NC[C@@](C)(O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000594551666 547362722 /nfs/dbraw/zinc/36/27/22/547362722.db2.gz OTMLMSHJJKOWPD-MRXNPFEDSA-N 1 1 354.407 1.272 20 5 FCBDMO C[N@@H+](CCCO)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736797786 599059993 /nfs/dbraw/zinc/05/99/93/599059993.db2.gz LRTCJKASGRIUMC-UHFFFAOYSA-N 1 1 362.394 0.453 20 5 FCBDMO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000821609707 599304084 /nfs/dbraw/zinc/30/40/84/599304084.db2.gz IMCDAYDPGMQJJQ-AWEZNQCLSA-N 1 1 358.362 0.464 20 5 FCBDMO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000953928683 674486352 /nfs/dbraw/zinc/48/63/52/674486352.db2.gz JMPGYRXTGCXAEX-HUUCEWRRSA-N 1 1 352.435 0.585 20 5 FCBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000953928683 674486355 /nfs/dbraw/zinc/48/63/55/674486355.db2.gz JMPGYRXTGCXAEX-HUUCEWRRSA-N 1 1 352.435 0.585 20 5 FCBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000953928683 674486358 /nfs/dbraw/zinc/48/63/58/674486358.db2.gz JMPGYRXTGCXAEX-HUUCEWRRSA-N 1 1 352.435 0.585 20 5 FCBDMO CC[C@@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000820995889 606708257 /nfs/dbraw/zinc/70/82/57/606708257.db2.gz ZVFRMEOSLFWNGV-LLVKDONJSA-N 1 1 362.394 0.717 20 5 FCBDMO O=C(NC[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000978797256 664446016 /nfs/dbraw/zinc/44/60/16/664446016.db2.gz ZHTQMQMGTUWCKN-XJFOESAGSA-N 1 1 350.419 0.291 20 5 FCBDMO CC(C)(C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)[NH+]1CCCC1 ZINC000979747625 664462385 /nfs/dbraw/zinc/46/23/85/664462385.db2.gz LJQREYYODZZFAM-AAVRWANBSA-N 1 1 352.435 0.537 20 5 FCBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)C[C@]3(O)CCOC3)CC2)cc1 ZINC000905874547 666040376 /nfs/dbraw/zinc/04/03/76/666040376.db2.gz MCRPUAHIMLYFGN-DLBZAZTESA-N 1 1 351.403 0.619 20 5 FCBDMO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H](O)C[C@]3(O)CCOC3)CC2)c1 ZINC000905912908 666042332 /nfs/dbraw/zinc/04/23/32/666042332.db2.gz LJCYJXLBISGXIQ-IAGOWNOFSA-N 1 1 351.403 0.619 20 5 FCBDMO CC(C)(C)n1nnnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996429324 666921129 /nfs/dbraw/zinc/92/11/29/666921129.db2.gz PMSCCBGRTUWMRP-VXGBXAGGSA-N 1 1 351.411 0.174 20 5 FCBDMO C[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000919998962 667216751 /nfs/dbraw/zinc/21/67/51/667216751.db2.gz DEUULOVBEFQLRU-SWLSCSKDSA-N 1 1 356.448 0.649 20 5 FCBDMO C[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000919998962 667216752 /nfs/dbraw/zinc/21/67/52/667216752.db2.gz DEUULOVBEFQLRU-SWLSCSKDSA-N 1 1 356.448 0.649 20 5 FCBDMO CC(C)[NH+]1CCC(C(=O)NCC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001004067896 667647056 /nfs/dbraw/zinc/64/70/56/667647056.db2.gz BSSXGAKVVSCQPU-HUUCEWRRSA-N 1 1 352.435 0.347 20 5 FCBDMO O=[N+]([O-])c1cc(Cl)ccc1CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923433843 667835346 /nfs/dbraw/zinc/83/53/46/667835346.db2.gz FGSDSCIPQZPVIH-UHFFFAOYSA-N 1 1 374.850 0.667 20 5 FCBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000762554265 667920975 /nfs/dbraw/zinc/92/09/75/667920975.db2.gz FJXJBYJJKDRLNB-CYBMUJFWSA-N 1 1 363.823 0.902 20 5 FCBDMO COC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000777909560 668341862 /nfs/dbraw/zinc/34/18/62/668341862.db2.gz ZTXYQHUFDPVVEO-SECBINFHSA-N 1 1 358.376 0.756 20 5 FCBDMO COC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000777909560 668341863 /nfs/dbraw/zinc/34/18/63/668341863.db2.gz ZTXYQHUFDPVVEO-SECBINFHSA-N 1 1 358.376 0.756 20 5 FCBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000784514839 668661712 /nfs/dbraw/zinc/66/17/12/668661712.db2.gz AHKADFLSSWGMSJ-SNVBAGLBSA-N 1 1 351.363 0.281 20 5 FCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000818986025 668968051 /nfs/dbraw/zinc/96/80/51/668968051.db2.gz DBVZOOOUNQYJPR-HUUCEWRRSA-N 1 1 369.443 0.821 20 5 FCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000818986025 668968054 /nfs/dbraw/zinc/96/80/54/668968054.db2.gz DBVZOOOUNQYJPR-HUUCEWRRSA-N 1 1 369.443 0.821 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819005247 668970071 /nfs/dbraw/zinc/97/00/71/668970071.db2.gz ZLNBJPPOOQTGOX-GOEBONIOSA-N 1 1 350.419 0.805 20 5 FCBDMO CCc1[nH]nc(C(=O)O[C@H](C)C(=O)N2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000795610635 669048009 /nfs/dbraw/zinc/04/80/09/669048009.db2.gz AYTZJOLSRYCNRX-SNVBAGLBSA-N 1 1 353.379 0.590 20 5 FCBDMO C[NH+]1CCN(C(=O)CCNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000824003351 669369019 /nfs/dbraw/zinc/36/90/19/669369019.db2.gz YFPNFZXZFBBBNE-UHFFFAOYSA-N 1 1 350.379 0.463 20 5 FCBDMO COC(=O)Cc1ccc(NC2CC[NH+](CC(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000827342383 669557107 /nfs/dbraw/zinc/55/71/07/669557107.db2.gz IDSADOZIBYRQSX-UHFFFAOYSA-N 1 1 350.375 0.672 20 5 FCBDMO O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000963971706 675029021 /nfs/dbraw/zinc/02/90/21/675029021.db2.gz BFRHZNBTFUCTGR-KBUPBQIOSA-N 1 1 352.435 0.539 20 5 FCBDMO CS(=O)(=O)NCCC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171242 669829829 /nfs/dbraw/zinc/82/98/29/669829829.db2.gz RBPHGSPZWGEZTC-AWEZNQCLSA-N 1 1 371.415 0.652 20 5 FCBDMO CS(=O)(=O)NCCC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171242 669829837 /nfs/dbraw/zinc/82/98/37/669829837.db2.gz RBPHGSPZWGEZTC-AWEZNQCLSA-N 1 1 371.415 0.652 20 5 FCBDMO Cc1nn(C)c(Cl)c1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048814372 675898579 /nfs/dbraw/zinc/89/85/79/675898579.db2.gz ICVHMGQGONQGEF-GFQSEFKGSA-N 1 1 367.837 0.937 20 5 FCBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1COC(C)(C)O1 ZINC000852185393 671493558 /nfs/dbraw/zinc/49/35/58/671493558.db2.gz XNBQIZJPGOBBOA-CYBMUJFWSA-N 1 1 373.431 0.956 20 5 FCBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1COC(C)(C)O1 ZINC000852185393 671493563 /nfs/dbraw/zinc/49/35/63/671493563.db2.gz XNBQIZJPGOBBOA-CYBMUJFWSA-N 1 1 373.431 0.956 20 5 FCBDMO Cc1c(C(=O)NCC[N@H+]2CC[C@H](O)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000863832498 672158552 /nfs/dbraw/zinc/15/85/52/672158552.db2.gz YJFPLAJRMMHVLR-NSHDSACASA-N 1 1 352.347 0.916 20 5 FCBDMO C[NH+](C)CCC(=O)NC[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001054895289 676010001 /nfs/dbraw/zinc/01/00/01/676010001.db2.gz VXWDCQBTYHHHFB-KBUPBQIOSA-N 1 1 354.451 0.642 20 5 FCBDMO O=C(NCC[NH+]1CCC(NC(=O)C2(CF)CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001055575027 676024694 /nfs/dbraw/zinc/02/46/94/676024694.db2.gz IRSJNIHRBUMPGG-CHWSQXEVSA-N 1 1 356.398 0.098 20 5 FCBDMO Cc1nc(C)n(CC[NH+]2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001001399723 676070779 /nfs/dbraw/zinc/07/07/79/676070779.db2.gz NERQJUQOVAYAKP-HUUCEWRRSA-N 1 1 350.423 0.388 20 5 FCBDMO C[NH+]1CCC(C(=O)N2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001017441214 675411234 /nfs/dbraw/zinc/41/12/34/675411234.db2.gz ZKAHOMWGNVXXEQ-HUUCEWRRSA-N 1 1 350.419 0.268 20 5 FCBDMO Cc1c(-c2cc(C[NH2+]CCN(C)C(=O)[C@@H]3CC3[N+](=O)[O-])on2)cnn1C ZINC001691315004 1171076413 /nfs/dbraw/zinc/07/64/13/1171076413.db2.gz OSGGKUACPCOTMV-IUODEOHRSA-N 1 1 362.390 0.597 20 5 FCBDMO CNC(=O)c1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001025776826 1182833009 /nfs/dbraw/zinc/83/30/09/1182833009.db2.gz GIXLVCWHALIVGR-LJIZCISZSA-N 1 1 358.398 0.258 20 5 FCBDMO CNC(=O)c1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001025776826 1182833010 /nfs/dbraw/zinc/83/30/10/1182833010.db2.gz GIXLVCWHALIVGR-LJIZCISZSA-N 1 1 358.398 0.258 20 5 FCBDMO CNC(=O)c1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001025776826 1182833012 /nfs/dbraw/zinc/83/30/12/1182833012.db2.gz GIXLVCWHALIVGR-LJIZCISZSA-N 1 1 358.398 0.258 20 5 FCBDMO Cn1nccc1CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278559 1186694875 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PRAZAJOZKZGJFG-LBPRGKRZSA-N 1 1 364.402 0.689 20 5 FCBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000836847728 1222629821 /nfs/dbraw/zinc/62/98/21/1222629821.db2.gz CORNVDAWSZLZCH-SMDDNHRTSA-N 1 1 363.370 0.957 20 5 FCBDMO CNC(=O)[C@]1(C)CC[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840061027 1222768634 /nfs/dbraw/zinc/76/86/34/1222768634.db2.gz CFOWSBXUKHZRJB-NVXWUHKLSA-N 1 1 362.386 0.948 20 5 FCBDMO CNC(=O)[C@]1(C)CC[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840061027 1222768639 /nfs/dbraw/zinc/76/86/39/1222768639.db2.gz CFOWSBXUKHZRJB-NVXWUHKLSA-N 1 1 362.386 0.948 20 5 FCBDMO COC(=O)c1ccnc(NCc2cc(=O)n3c(n2)C[NH2+]CCC3)c1[N+](=O)[O-] ZINC001155489725 1223036600 /nfs/dbraw/zinc/03/66/00/1223036600.db2.gz ZAGWKJWUYHAFFD-UHFFFAOYSA-N 1 1 374.357 0.439 20 5 FCBDMO Cc1ccccc1CN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157774836 1223081738 /nfs/dbraw/zinc/08/17/38/1223081738.db2.gz CLESKBYKSZAWAI-HZPDHXFCSA-N 1 1 362.430 0.715 20 5 FCBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCCc2ccccc21 ZINC001157775835 1223082290 /nfs/dbraw/zinc/08/22/90/1223082290.db2.gz ZONXPJDKKRVNJC-GDBMZVCRSA-N 1 1 360.414 0.727 20 5 FCBDMO Cc1cc(C(=O)NCC(=O)N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001159098979 1223117231 /nfs/dbraw/zinc/11/72/31/1223117231.db2.gz VXIPGKNOHJDMKW-KBPBESRZSA-N 1 1 364.377 0.888 20 5 FCBDMO Cc1cc(C(=O)NCC(=O)N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001159098979 1223117235 /nfs/dbraw/zinc/11/72/35/1223117235.db2.gz VXIPGKNOHJDMKW-KBPBESRZSA-N 1 1 364.377 0.888 20 5 FCBDMO COCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](Cc2conc2C)CC1 ZINC001162264495 1223212143 /nfs/dbraw/zinc/21/21/43/1223212143.db2.gz OCFDKIUXLCNBAT-HUUCEWRRSA-N 1 1 366.418 0.993 20 5 FCBDMO COCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](Cc2cnn(C)c2)CC1 ZINC001162264488 1223212394 /nfs/dbraw/zinc/21/23/94/1223212394.db2.gz NYDUCKBHTSDWOD-HUUCEWRRSA-N 1 1 365.434 0.430 20 5 FCBDMO CN(C)C(=O)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001162810784 1223220013 /nfs/dbraw/zinc/22/00/13/1223220013.db2.gz PQVURRSQGKBOTD-HZPDHXFCSA-N 1 1 362.430 0.401 20 5 FCBDMO O=c1cc(CNc2ccc3ncc([N+](=O)[O-])n3c2)nc2n1CCC[NH2+]C2 ZINC001163118760 1223226656 /nfs/dbraw/zinc/22/66/56/1223226656.db2.gz ZDABAPGUVCKJFM-UHFFFAOYSA-N 1 1 355.358 0.905 20 5 FCBDMO C[C@H]1C[C@H](NC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC001327804624 1265429025 /nfs/dbraw/zinc/42/90/25/1265429025.db2.gz VUWJRYMIBRHFCA-JSGCOSHPSA-N 1 1 360.414 0.995 20 5 FCBDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001327804352 1265429757 /nfs/dbraw/zinc/42/97/57/1265429757.db2.gz TZADUTKIZWATKN-CQSZACIVSA-N 1 1 364.402 0.090 20 5 FCBDMO CN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1)C1CC1 ZINC000946589178 1247904561 /nfs/dbraw/zinc/90/45/61/1247904561.db2.gz KPQAPUQSJLDUAJ-OCVGTWLNSA-N 1 1 364.446 0.443 20 5 FCBDMO 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CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC001329710978 1265819026 /nfs/dbraw/zinc/81/90/26/1265819026.db2.gz PCTCOAZOKDZXRJ-QWHCGFSZSA-N 1 1 366.422 0.239 20 5 FCBDMO COCC[NH+]1CCN(c2nnc(CCC[N+](=O)[O-])n2CC2CC2)CC1 ZINC001520573080 1265938839 /nfs/dbraw/zinc/93/88/39/1265938839.db2.gz MDZZBWAMWKAVKR-UHFFFAOYSA-N 1 1 352.439 0.666 20 5 FCBDMO CCN1CCN([C@H](C)C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001335351831 1259621426 /nfs/dbraw/zinc/62/14/26/1259621426.db2.gz PSFDLRUTQJBRFW-HZPDHXFCSA-N 1 1 366.462 0.950 20 5 FCBDMO C[C@H](CCN1CCN(C)CC1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001335986295 1259931355 /nfs/dbraw/zinc/93/13/55/1259931355.db2.gz MPASHHFLSLYDDE-NVXWUHKLSA-N 1 1 366.462 0.950 20 5 FCBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001345305694 1261669529 /nfs/dbraw/zinc/66/95/29/1261669529.db2.gz WRIXEFZXMMBRSJ-CQSZACIVSA-N 1 1 364.402 0.642 20 5 FCBDMO 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COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC001326491116 1265121574 /nfs/dbraw/zinc/12/15/74/1265121574.db2.gz JKTGRDQYBKEHCW-AWEZNQCLSA-N 1 1 364.402 0.090 20 5 FCBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001327624885 1265378410 /nfs/dbraw/zinc/37/84/10/1265378410.db2.gz RDMAUDXKLZNENH-CQSZACIVSA-N 1 1 360.414 0.854 20 5 FCBDMO COCC[NH+]1CCN(c2nnc(CCC[N+](=O)[O-])n2CC(C)C)CC1 ZINC001525019878 1266734377 /nfs/dbraw/zinc/73/43/77/1266734377.db2.gz PSNACAFARWNMSD-UHFFFAOYSA-N 1 1 354.455 0.912 20 5 FCBDMO CCn1c(CCC[N+](=O)[O-])nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001339353250 1268218480 /nfs/dbraw/zinc/21/84/80/1268218480.db2.gz IJTZSDDOJXJDLH-CQSZACIVSA-N 1 1 352.439 0.808 20 5 FCBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CCc2nc[nH]c2[C@]12CC[NH2+]C2 ZINC001580562182 1278487847 /nfs/dbraw/zinc/48/78/47/1278487847.db2.gz LERFXZGKBWRGLT-QGZVFWFLSA-N 1 1 357.370 0.970 20 5 FCBDMO COCCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001343067084 1269755791 /nfs/dbraw/zinc/75/57/91/1269755791.db2.gz XQOVISNHONDCBT-AWEZNQCLSA-N 1 1 370.454 0.809 20 5 FCBDMO C[C@]([NH3+])(C(=O)N1CCN(c2cccnn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC001576080725 1272852839 /nfs/dbraw/zinc/85/28/39/1272852839.db2.gz HBUQEPHKWRICEX-QGZVFWFLSA-N 1 1 356.386 0.908 20 5 FCBDMO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NC2(CCO)C[NH2+]C2)cc1Cl ZINC001580874605 1279081530 /nfs/dbraw/zinc/08/15/30/1279081530.db2.gz DTZYJOQCZXQTHF-UHFFFAOYSA-N 1 1 353.759 0.390 20 5 FCBDMO CN(CC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001579206156 1276994037 /nfs/dbraw/zinc/99/40/37/1276994037.db2.gz AAORZXOEHXWKAV-DGCLKSJQSA-N 1 1 363.353 0.219 20 5 FCBDMO C[C@H](Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1)[C@@H]1C[N@@H+](C)CCN1C ZINC001603684068 1287469004 /nfs/dbraw/zinc/46/90/04/1287469004.db2.gz UHSMQWQKXBNHTI-CABZTGNLSA-N 1 1 361.410 0.403 20 5 FCBDMO C[C@H](Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001603684068 1287469005 /nfs/dbraw/zinc/46/90/05/1287469005.db2.gz UHSMQWQKXBNHTI-CABZTGNLSA-N 1 1 361.410 0.403 20 5 FCBDMO C[C@H](Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1)[C@@H]1CN(C)CC[N@H+]1C ZINC001603684068 1287469008 /nfs/dbraw/zinc/46/90/08/1287469008.db2.gz UHSMQWQKXBNHTI-CABZTGNLSA-N 1 1 361.410 0.403 20 5 FCBDMO CC(C)[N@@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 ZINC001589679062 1282940484 /nfs/dbraw/zinc/94/04/84/1282940484.db2.gz YWCCLXSJHMRLPY-UHFFFAOYSA-N 1 1 369.407 0.393 20 5 FCBDMO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001590196051 1283303201 /nfs/dbraw/zinc/30/32/01/1283303201.db2.gz GHQSIYZDJQCLTB-DTWKUNHWSA-N 1 1 367.391 0.275 20 5 FCBDMO CCC[N@@H+](C)CC(=O)NCCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590619626 1283659275 /nfs/dbraw/zinc/65/92/75/1283659275.db2.gz CZJVZWLAKUJWIY-UHFFFAOYSA-N 1 1 362.394 0.645 20 5 FCBDMO CN(C)CC[NH+]1CCC(Nc2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001591020427 1284075055 /nfs/dbraw/zinc/07/50/55/1284075055.db2.gz KPSWFUHFWKBKED-UHFFFAOYSA-N 1 1 361.410 0.608 20 5 FCBDMO CN(CCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001591078333 1284146416 /nfs/dbraw/zinc/14/64/16/1284146416.db2.gz BCZZXNPEGMJTKD-ZIAGYGMSSA-N 1 1 359.390 0.470 20 5 FCBDMO C[N@H+](CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001591098166 1284168297 /nfs/dbraw/zinc/16/82/97/1284168297.db2.gz NYJMESOLIKJGTK-UHFFFAOYSA-N 1 1 370.373 0.965 20 5 FCBDMO C[N@@H+](CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001591098166 1284168303 /nfs/dbraw/zinc/16/83/03/1284168303.db2.gz NYJMESOLIKJGTK-UHFFFAOYSA-N 1 1 370.373 0.965 20 5 FCBDMO COCC[N@@H+](C)CCCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1 ZINC001591420937 1284570807 /nfs/dbraw/zinc/57/08/07/1284570807.db2.gz TUHHGFHXGYXCCM-UHFFFAOYSA-N 1 1 350.383 0.737 20 5 FCBDMO Cn1nc2c(cc1=O)C[N@@H+](Cc1c(-c3nn[nH]n3)cccc1[N+](=O)[O-])CC2 ZINC001592595602 1285528705 /nfs/dbraw/zinc/52/87/05/1285528705.db2.gz FEHBMADUPIEXID-UHFFFAOYSA-N 1 1 368.357 0.427 20 5 FCBDMO Cn1nc2c(cc1=O)C[N@H+](Cc1c(-c3nn[nH]n3)cccc1[N+](=O)[O-])CC2 ZINC001592595602 1285528714 /nfs/dbraw/zinc/52/87/14/1285528714.db2.gz FEHBMADUPIEXID-UHFFFAOYSA-N 1 1 368.357 0.427 20 5 FCBDMO Nc1c([N+](=O)[O-])ccc(NC2CC([NH+]3CCOCC3)C2)c1-c1nn[nH]n1 ZINC001592756980 1285679255 /nfs/dbraw/zinc/67/92/55/1285679255.db2.gz FYZYKJLEWVTFFE-UHFFFAOYSA-N 1 1 360.378 0.632 20 5 FCBDMO CNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC001609288540 1289055601 /nfs/dbraw/zinc/05/56/01/1289055601.db2.gz WXSKNMWFMOCMHC-UHFFFAOYSA-N 1 1 360.378 0.397 20 5 FCBDMO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@H+]2C2CCOCC2)c(-c2nn[nH]n2)c1 ZINC001593484868 1286173502 /nfs/dbraw/zinc/17/35/02/1286173502.db2.gz KXWHYHQIYPNZMV-LLVKDONJSA-N 1 1 360.378 0.835 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[NH2+]C[C@H]1C(=O)[O-] ZINC001600488282 1286497251 /nfs/dbraw/zinc/49/72/51/1286497251.db2.gz PCNOCRLQTNVKAA-AWEZNQCLSA-N 1 1 350.375 0.980 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[NH2+]C[C@H]1C(=O)[O-] ZINC001600488282 1286497255 /nfs/dbraw/zinc/49/72/55/1286497255.db2.gz PCNOCRLQTNVKAA-AWEZNQCLSA-N 1 1 350.375 0.980 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[NH2+]C[C@@H]1C(=O)[O-] ZINC001600488283 1286497395 /nfs/dbraw/zinc/49/73/95/1286497395.db2.gz PCNOCRLQTNVKAA-CQSZACIVSA-N 1 1 350.375 0.980 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[NH2+]C[C@@H]1C(=O)[O-] ZINC001600488283 1286497396 /nfs/dbraw/zinc/49/73/96/1286497396.db2.gz PCNOCRLQTNVKAA-CQSZACIVSA-N 1 1 350.375 0.980 20 5 FCBDMO CNC(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001604885439 1287807443 /nfs/dbraw/zinc/80/74/43/1287807443.db2.gz XEOLDYBSHVGENF-UHFFFAOYSA-N 1 1 360.378 0.668 20 5 FCBDMO COCC[N@@H+]1[C@H](C)CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1C ZINC001605105665 1287883726 /nfs/dbraw/zinc/88/37/26/1287883726.db2.gz AEEHGPOWFMYZAN-PHIMTYICSA-N 1 1 362.394 0.715 20 5 FCBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](Oc3ccc(-c4nn[nH]n4)cn3)C2)c1 ZINC001607085801 1288654383 /nfs/dbraw/zinc/65/43/83/1288654383.db2.gz PJFFYURDOXKDEA-ZDUSSCGKSA-N 1 1 371.361 0.520 20 5 FCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)c1-c1nn[nH]n1 ZINC001609602925 1289257825 /nfs/dbraw/zinc/25/78/25/1289257825.db2.gz PKAAMCRXESWJEP-VIFPVBQESA-N 1 1 367.391 0.195 20 5 FCBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncc([N+](=O)[O-])c(OC)n1)CC2 ZINC001164684186 719695414 /nfs/dbraw/zinc/69/54/14/719695414.db2.gz HPIPMQNTSLUDSX-UHFFFAOYSA-N 1 1 364.406 0.574 20 5 FCBDMO COCC[N@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c(N)n3)CC[C@H]2C1 ZINC001164858892 720862510 /nfs/dbraw/zinc/86/25/10/720862510.db2.gz SFJCOAXZIKKAJJ-JSGCOSHPSA-N 1 1 351.407 0.746 20 5 FCBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001164932181 721851217 /nfs/dbraw/zinc/85/12/17/721851217.db2.gz WZMDXHSPHGQBKW-LSDHHAIUSA-N 1 1 363.418 0.991 20 5 FCBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001164932181 721851219 /nfs/dbraw/zinc/85/12/19/721851219.db2.gz WZMDXHSPHGQBKW-LSDHHAIUSA-N 1 1 363.418 0.991 20 5 FCBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001164932180 721851391 /nfs/dbraw/zinc/85/13/91/721851391.db2.gz WZMDXHSPHGQBKW-HUUCEWRRSA-N 1 1 363.418 0.991 20 5 FCBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001164932180 721851392 /nfs/dbraw/zinc/85/13/92/721851392.db2.gz WZMDXHSPHGQBKW-HUUCEWRRSA-N 1 1 363.418 0.991 20 5 FCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CC1CCS(=O)(=O)CC1)C2 ZINC001072725592 837742906 /nfs/dbraw/zinc/74/29/06/837742906.db2.gz PYTKQBTZEAYGDA-ZIAGYGMSSA-N 1 1 371.459 0.011 20 5 FCBDMO C[NH+](C)CCCCC(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073174719 837759161 /nfs/dbraw/zinc/75/91/61/837759161.db2.gz RTOQKYAMUBOQGQ-ZIAGYGMSSA-N 1 1 354.451 0.881 20 5 FCBDMO C[N@@H+](CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)CC(C)(C)C ZINC001062993426 836746731 /nfs/dbraw/zinc/74/67/31/836746731.db2.gz VHDLTCANCMJTSA-CHWSQXEVSA-N 1 1 354.451 0.785 20 5 FCBDMO C[N@H+](CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)CC(C)(C)C ZINC001062993426 836746742 /nfs/dbraw/zinc/74/67/42/836746742.db2.gz VHDLTCANCMJTSA-CHWSQXEVSA-N 1 1 354.451 0.785 20 5 FCBDMO C[N@@H+](CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)CC(C)(C)C ZINC001062993426 836746750 /nfs/dbraw/zinc/74/67/50/836746750.db2.gz VHDLTCANCMJTSA-CHWSQXEVSA-N 1 1 354.451 0.785 20 5 FCBDMO CS(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001086084145 842119282 /nfs/dbraw/zinc/11/92/82/842119282.db2.gz FIUWNUGYVQYNOE-LYIQGSDWSA-N 1 1 371.415 0.333 20 5 FCBDMO CCCCOCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001098365987 843911455 /nfs/dbraw/zinc/91/14/55/843911455.db2.gz SYNFEXVALLMCJD-HZPDHXFCSA-N 1 1 357.451 0.754 20 5 FCBDMO CCCCOCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098365987 843911457 /nfs/dbraw/zinc/91/14/57/843911457.db2.gz SYNFEXVALLMCJD-HZPDHXFCSA-N 1 1 357.451 0.754 20 5 FCBDMO CCCCOCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098365987 843911463 /nfs/dbraw/zinc/91/14/63/843911463.db2.gz SYNFEXVALLMCJD-HZPDHXFCSA-N 1 1 357.451 0.754 20 5 FCBDMO COc1ccc(C)cc1NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126943538 848714315 /nfs/dbraw/zinc/71/43/15/848714315.db2.gz QGSAVFIWWMOPRS-DGCLKSJQSA-N 1 1 350.375 0.313 20 5 FCBDMO Cc1ccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1Cl ZINC001126939444 848714774 /nfs/dbraw/zinc/71/47/74/848714774.db2.gz YOKDZMBZEVWQST-DGCLKSJQSA-N 1 1 354.794 0.958 20 5 FCBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001151816648 849695440 /nfs/dbraw/zinc/69/54/40/849695440.db2.gz DASPLOTXPQSOAV-MRXNPFEDSA-N 1 1 352.391 0.254 20 5 FCBDMO O=C(NCCC[NH2+]Cc1csc(-c2ncccn2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001157775807 849994509 /nfs/dbraw/zinc/99/45/09/849994509.db2.gz XWTROGNLLYCRFX-VXGBXAGGSA-N 1 1 362.415 0.861 20 5 FCBDMO O=C(C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCCC1 ZINC001160090892 850152944 /nfs/dbraw/zinc/15/29/44/850152944.db2.gz SVARFLUGBOYZPR-HUUCEWRRSA-N 1 1 350.419 0.412 20 5 FCBDMO COc1cc(CN2CC=C(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)on1 ZINC001160107628 850154330 /nfs/dbraw/zinc/15/43/30/850154330.db2.gz QCHYVGPOEORUJD-ZIAGYGMSSA-N 1 1 350.375 0.987 20 5 FCBDMO CC(C)[C@@H](CNC(=O)c1cnc(N)c([N+](=O)[O-])c1)[NH+]1CCN(C)CC1 ZINC001160885677 850211314 /nfs/dbraw/zinc/21/13/14/850211314.db2.gz IEBHEJGTPJUYMR-CQSZACIVSA-N 1 1 350.423 0.574 20 5 FCBDMO Cc1nn(C)c(C(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)c1[N+](=O)[O-] ZINC001161578438 850273106 /nfs/dbraw/zinc/27/31/06/850273106.db2.gz GRJWYSDPYIKQBN-NWDGAFQWSA-N 1 1 351.407 0.866 20 5 FCBDMO Cc1noc(CCC[NH2+]CC2(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001164494413 850413737 /nfs/dbraw/zinc/41/37/37/850413737.db2.gz IYWWSSUNPFOYGI-CHWSQXEVSA-N 1 1 351.407 0.852 20 5 FCBDMO NC(=O)[C@H]1CN(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])CC[NH2+]1 ZINC001166725272 850498026 /nfs/dbraw/zinc/49/80/26/850498026.db2.gz ZZRWGLJTYJFDOY-SCSAIBSYSA-N 1 1 354.676 0.321 20 5 FCBDMO CNC(=O)CN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169017516 850602353 /nfs/dbraw/zinc/60/23/53/850602353.db2.gz AEVRQZZKTQEDFF-VBQJREDUSA-N 1 1 352.435 0.635 20 5 FCBDMO Cc1cc(NC(=O)C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)no1 ZINC001200461719 853499165 /nfs/dbraw/zinc/49/91/65/853499165.db2.gz HOJLFIAPJBLVSU-VXGBXAGGSA-N 1 1 351.363 0.167 20 5 FCBDMO C[NH+]1CCN(C(=O)CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC001305896765 866592527 /nfs/dbraw/zinc/59/25/27/866592527.db2.gz ZNUIDGIRZCZNTH-UHFFFAOYSA-N 1 1 354.338 0.003 20 5 FCBDMO COCC[N@@H+](C)CCN1C[C@@H](Nc2ncc([N+](=O)[O-])c(C)n2)CC1=O ZINC001307145513 866645599 /nfs/dbraw/zinc/64/55/99/866645599.db2.gz APEZUWCFBJMYRE-LBPRGKRZSA-N 1 1 352.395 0.284 20 5 FCBDMO NS(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])c1 ZINC001307226161 866651203 /nfs/dbraw/zinc/65/12/03/866651203.db2.gz CKXUQIPZVARDBC-QWHCGFSZSA-N 1 1 370.431 0.278 20 5 FCBDMO COC[C@@H](C(N)=O)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC001307800005 866674318 /nfs/dbraw/zinc/67/43/18/866674318.db2.gz PGSRKNJPFGAFLN-LBPRGKRZSA-N 1 1 354.363 0.364 20 5 FCBDMO COC[C@@H](C(N)=O)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC001307800005 866674325 /nfs/dbraw/zinc/67/43/25/866674325.db2.gz PGSRKNJPFGAFLN-LBPRGKRZSA-N 1 1 354.363 0.364 20 5 FCBDMO NC(=O)[C@H]1C[NH+](Cc2cc([N+](=O)[O-])ccc2Br)C[C@@H]1C(N)=O ZINC001307927211 866685261 /nfs/dbraw/zinc/68/52/61/866685261.db2.gz AAHYZUVDXJRJGB-UWVGGRQHSA-N 1 1 371.191 0.376 20 5 FCBDMO Nc1cc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nc[nH+]1 ZINC001318265096 867630405 /nfs/dbraw/zinc/63/04/05/867630405.db2.gz FTAJMJBDBSLATP-UHFFFAOYSA-N 1 1 364.387 0.478 20 5 FCBDMO COCCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001355663690 867832184 /nfs/dbraw/zinc/83/21/84/867832184.db2.gz SSOZCSRWGUQTNO-STQMWFEESA-N 1 1 354.411 0.173 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCNS(C)(=O)=O ZINC001319418171 867913023 /nfs/dbraw/zinc/91/30/23/867913023.db2.gz ZFSLHDFWAHLJHZ-UHFFFAOYSA-N 1 1 358.420 0.713 20 5 FCBDMO COc1ccc(CNC(=O)C(=O)NCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC001321795650 868615638 /nfs/dbraw/zinc/61/56/38/868615638.db2.gz RZFQNYPPXOZPDO-UHFFFAOYSA-N 1 1 350.375 0.430 20 5 FCBDMO Cc1cc(C)c(S(=O)(=O)NCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000295326582 214291615 /nfs/dbraw/zinc/29/16/15/214291615.db2.gz MLAPXIBFMBSWAJ-UHFFFAOYSA-N 1 1 357.432 0.947 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000290904663 214001937 /nfs/dbraw/zinc/00/19/37/214001937.db2.gz LDEHEAPKCFJUTA-TZMCWYRMSA-N 1 1 351.407 0.811 20 5 FCBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000411757174 529871417 /nfs/dbraw/zinc/87/14/17/529871417.db2.gz LBFKBSFYOBIZCN-AWEZNQCLSA-N 1 1 370.431 0.889 20 5 FCBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)C[NH+]1CCOCC1 ZINC000265615767 210179392 /nfs/dbraw/zinc/17/93/92/210179392.db2.gz WIPQCSIJDHHZEX-NSHDSACASA-N 1 1 358.420 0.622 20 5 FCBDMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000265404189 210124284 /nfs/dbraw/zinc/12/42/84/210124284.db2.gz VAJZJFUEIBBECY-UHFFFAOYSA-N 1 1 358.782 0.881 20 5 FCBDMO Cc1c(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000265335133 210098555 /nfs/dbraw/zinc/09/85/55/210098555.db2.gz HISJSNOOZUIEDF-GOEBONIOSA-N 1 1 369.443 0.491 20 5 FCBDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000265239413 210079031 /nfs/dbraw/zinc/07/90/31/210079031.db2.gz QXZYZFXZLSAURR-OCCSQVGLSA-N 1 1 373.431 0.335 20 5 FCBDMO Cc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1[N+](=O)[O-] ZINC000265213339 210073557 /nfs/dbraw/zinc/07/35/57/210073557.db2.gz FABYOUTVYZAJGF-ZBFHGGJFSA-N 1 1 369.443 0.491 20 5 FCBDMO COc1ccc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000265002071 210035142 /nfs/dbraw/zinc/03/51/42/210035142.db2.gz DWXPDKYJWHDCJK-UHFFFAOYSA-N 1 1 350.375 0.497 20 5 FCBDMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000367095903 216075160 /nfs/dbraw/zinc/07/51/60/216075160.db2.gz DULOYBQIDSVERU-KRWDZBQOSA-N 1 1 359.430 0.633 20 5 FCBDMO O=C1NCCN1[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000368807823 216298244 /nfs/dbraw/zinc/29/82/44/216298244.db2.gz ZFNOLGILKOPVSG-GJZGRUSLSA-N 1 1 364.402 0.824 20 5 FCBDMO C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1CO ZINC000190908598 209278480 /nfs/dbraw/zinc/27/84/80/209278480.db2.gz SHHZOOHLQNDKPZ-CABCVRRESA-N 1 1 362.430 0.804 20 5 FCBDMO CCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000369258477 216372795 /nfs/dbraw/zinc/37/27/95/216372795.db2.gz WDQCJRIDPVLELM-NSHDSACASA-N 1 1 350.423 0.779 20 5 FCBDMO CCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000369258477 216372799 /nfs/dbraw/zinc/37/27/99/216372799.db2.gz WDQCJRIDPVLELM-NSHDSACASA-N 1 1 350.423 0.779 20 5 FCBDMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000369349502 216388297 /nfs/dbraw/zinc/38/82/97/216388297.db2.gz ZCNJUYLYKRDBIZ-CYBMUJFWSA-N 1 1 366.393 0.870 20 5 FCBDMO O=C(NCCC[NH+]1CCOCC1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277689107 212388271 /nfs/dbraw/zinc/38/82/71/212388271.db2.gz BSJOEHYMUAXFOZ-UHFFFAOYSA-N 1 1 362.390 0.993 20 5 FCBDMO C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1CC(C)(C)O ZINC000188714412 209235581 /nfs/dbraw/zinc/23/55/81/209235581.db2.gz JMVGBXHTYPQJQC-LBPRGKRZSA-N 1 1 352.391 0.060 20 5 FCBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000276578229 212259207 /nfs/dbraw/zinc/25/92/07/212259207.db2.gz MWIALZCQAADXKR-UHFFFAOYSA-N 1 1 364.402 0.852 20 5 FCBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 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/nfs/dbraw/zinc/10/92/86/212109286.db2.gz GSTNXWWUUYPYIN-UHFFFAOYSA-N 1 1 360.374 0.958 20 5 FCBDMO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000291027044 214010216 /nfs/dbraw/zinc/01/02/16/214010216.db2.gz YITRHSYCBABSQG-UHFFFAOYSA-N 1 1 352.376 0.292 20 5 FCBDMO CC1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@]2(CCCOC2)O1 ZINC000373760253 217055728 /nfs/dbraw/zinc/05/57/28/217055728.db2.gz VPCYGAIKBALTAS-GOEBONIOSA-N 1 1 354.407 0.812 20 5 FCBDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000374422723 217127333 /nfs/dbraw/zinc/12/73/33/217127333.db2.gz SMHCBEZGXLEROP-MIGQKNRLSA-N 1 1 353.423 0.336 20 5 FCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000183415787 209146001 /nfs/dbraw/zinc/14/60/01/209146001.db2.gz OREXGWATZYXORB-MRXNPFEDSA-N 1 1 359.386 0.674 20 5 FCBDMO Cn1nc2c(cc1=O)C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000182250228 209129684 /nfs/dbraw/zinc/12/96/84/209129684.db2.gz YZCNNAAESLEKSW-ZDUSSCGKSA-N 1 1 360.370 0.487 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000375963691 217339224 /nfs/dbraw/zinc/33/92/24/217339224.db2.gz RWXFQWNEHZXZLP-HZPDHXFCSA-N 1 1 350.350 0.885 20 5 FCBDMO COc1cccc(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1[N+](=O)[O-] ZINC000423554848 247050319 /nfs/dbraw/zinc/05/03/19/247050319.db2.gz XDZMPBWFELWCLO-LBPRGKRZSA-N 1 1 362.386 0.640 20 5 FCBDMO Cc1cc(C(=O)NCC(=O)N2CC[NH2+]C[C@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000423696912 247112764 /nfs/dbraw/zinc/11/27/64/247112764.db2.gz YGIAFYOYGNFUHS-INIZCTEOSA-N 1 1 352.366 0.793 20 5 FCBDMO C[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000444545275 248363639 /nfs/dbraw/zinc/36/36/39/248363639.db2.gz GHJAPWLSWADQJS-LBPRGKRZSA-N 1 1 352.391 0.060 20 5 FCBDMO C[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000444545275 248363641 /nfs/dbraw/zinc/36/36/41/248363641.db2.gz GHJAPWLSWADQJS-LBPRGKRZSA-N 1 1 352.391 0.060 20 5 FCBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000453829134 249375603 /nfs/dbraw/zinc/37/56/03/249375603.db2.gz YQLHTOJANUEDKG-ZDUSSCGKSA-N 1 1 368.365 0.635 20 5 FCBDMO COC(=O)C1(O)CC[NH+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000271400085 211395241 /nfs/dbraw/zinc/39/52/41/211395241.db2.gz MLMRVHUNYPWSEH-UHFFFAOYSA-N 1 1 354.359 0.982 20 5 FCBDMO CCNS(=O)(=O)[C@@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000271364993 211388515 /nfs/dbraw/zinc/38/85/15/211388515.db2.gz QJARNPLEDZDJCI-CYBMUJFWSA-N 1 1 373.431 0.996 20 5 FCBDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000271364993 211388521 /nfs/dbraw/zinc/38/85/21/211388521.db2.gz QJARNPLEDZDJCI-CYBMUJFWSA-N 1 1 373.431 0.996 20 5 FCBDMO CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000271284882 211370024 /nfs/dbraw/zinc/37/00/24/211370024.db2.gz AXCSEDYBFWBCQC-DZGCQCFKSA-N 1 1 373.431 0.348 20 5 FCBDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000271284882 211370027 /nfs/dbraw/zinc/37/00/27/211370027.db2.gz AXCSEDYBFWBCQC-DZGCQCFKSA-N 1 1 373.431 0.348 20 5 FCBDMO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000469701341 250000507 /nfs/dbraw/zinc/00/05/07/250000507.db2.gz MYICHVJVPWMXGR-GXSJLCMTSA-N 1 1 370.431 0.763 20 5 FCBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472712601 250176211 /nfs/dbraw/zinc/17/62/11/250176211.db2.gz OAKWMPAEESEMGZ-LLVKDONJSA-N 1 1 368.365 0.588 20 5 FCBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472710771 250175650 /nfs/dbraw/zinc/17/56/50/250175650.db2.gz BXNBDOLOAWSIPL-CQSZACIVSA-N 1 1 368.365 0.588 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000413405375 532991020 /nfs/dbraw/zinc/99/10/20/532991020.db2.gz PQRCUSQYUSTWNI-CQSZACIVSA-N 1 1 364.402 0.884 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)C1 ZINC000413158100 532991170 /nfs/dbraw/zinc/99/11/70/532991170.db2.gz IRYFFGMCNOZVDQ-CQSZACIVSA-N 1 1 364.402 0.884 20 5 FCBDMO COC(=O)[C@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000411915101 533006301 /nfs/dbraw/zinc/00/63/01/533006301.db2.gz YOVWZEQWQHRSQI-UKRRQHHQSA-N 1 1 367.402 0.371 20 5 FCBDMO COC(=O)[C@@H]1CN(C)CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000411915101 533006307 /nfs/dbraw/zinc/00/63/07/533006307.db2.gz YOVWZEQWQHRSQI-UKRRQHHQSA-N 1 1 367.402 0.371 20 5 FCBDMO COC(=O)[C@@H]1CN(C)CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000411915101 533006314 /nfs/dbraw/zinc/00/63/14/533006314.db2.gz YOVWZEQWQHRSQI-UKRRQHHQSA-N 1 1 367.402 0.371 20 5 FCBDMO COC(=O)[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@@H+](C)C1 ZINC000411906186 533007640 /nfs/dbraw/zinc/00/76/40/533007640.db2.gz NMZOPSGIZHIESP-CQSZACIVSA-N 1 1 365.386 0.998 20 5 FCBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000057552462 208007937 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0.714 20 5 FCBDMO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1nc(-c2nc[nH]n2)no1 ZINC000120800856 208389457 /nfs/dbraw/zinc/38/94/57/208389457.db2.gz BXVAGPRNNPPMMY-LBPRGKRZSA-N 1 1 374.361 0.912 20 5 FCBDMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266718046 210389141 /nfs/dbraw/zinc/38/91/41/210389141.db2.gz GRSHVYRDEODLEI-WCQYABFASA-N 1 1 357.411 0.997 20 5 FCBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266719715 210388639 /nfs/dbraw/zinc/38/86/39/210388639.db2.gz JFBISCIQTMGKSZ-OAHLLOKOSA-N 1 1 363.418 0.776 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266719713 210387911 /nfs/dbraw/zinc/38/79/11/210387911.db2.gz JFBISCIQTMGKSZ-HNNXBMFYSA-N 1 1 363.418 0.776 20 5 FCBDMO C[C@@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000180417450 209096068 /nfs/dbraw/zinc/09/60/68/209096068.db2.gz MEXQMUFSBOVLCU-SECBINFHSA-N 1 1 361.358 0.108 20 5 FCBDMO 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COC(=O)[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC[N@@H+](C)C1 ZINC000413490840 533491087 /nfs/dbraw/zinc/49/10/87/533491087.db2.gz ANWXIIRTBVHEQE-JTQLQIEISA-N 1 1 361.358 0.785 20 5 FCBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000299714933 488869330 /nfs/dbraw/zinc/86/93/30/488869330.db2.gz VOZHFVPLKQHDBN-UHFFFAOYSA-N 1 1 350.375 0.544 20 5 FCBDMO CCNC(=O)CN1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000029673373 487728977 /nfs/dbraw/zinc/72/89/77/487728977.db2.gz QOANKZYXJIIWEA-UHFFFAOYSA-N 1 1 363.418 0.677 20 5 FCBDMO C[C@@H]1C[N@H+](CCCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)O1 ZINC000031672533 487763890 /nfs/dbraw/zinc/76/38/90/487763890.db2.gz RVNPVTJPLUISLV-BETUJISGSA-N 1 1 352.391 0.372 20 5 FCBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCC[NH+]1CCOCC1 ZINC000047465751 488030370 /nfs/dbraw/zinc/03/03/70/488030370.db2.gz YONLOLJBNCQPPB-UHFFFAOYSA-N 1 1 350.375 0.163 20 5 FCBDMO CC[N@@H+](C)CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000066373522 488328496 /nfs/dbraw/zinc/32/84/96/488328496.db2.gz DQZUAZJQHVMURT-UHFFFAOYSA-N 1 1 372.447 0.979 20 5 FCBDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069149556 488371365 /nfs/dbraw/zinc/37/13/65/488371365.db2.gz MJGMLSUEXMGAPD-CQSZACIVSA-N 1 1 365.434 0.909 20 5 FCBDMO C[NH+]1CCN(C(=O)CCNC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000073650767 488385711 /nfs/dbraw/zinc/38/57/11/488385711.db2.gz MIWHPYOIQOKHHT-UHFFFAOYSA-N 1 1 363.418 0.601 20 5 FCBDMO O=C1CCCN1C[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075738242 488398811 /nfs/dbraw/zinc/39/88/11/488398811.db2.gz SSOLELOUVXQSCI-UKRRQHHQSA-N 1 1 351.407 0.629 20 5 FCBDMO O=C1CCCN1C[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075738243 488399076 /nfs/dbraw/zinc/39/90/76/488399076.db2.gz SSOLELOUVXQSCI-HIFRSBDPSA-N 1 1 351.407 0.629 20 5 FCBDMO CC[NH+]1CCN(CCCCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000188483743 488412425 /nfs/dbraw/zinc/41/24/25/488412425.db2.gz NLJWEDVLIMCIHE-UHFFFAOYSA-N 1 1 351.407 0.843 20 5 FCBDMO CNC(=O)C[NH+]1CCC(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000193829881 488429767 /nfs/dbraw/zinc/42/97/67/488429767.db2.gz MDDRGARKVDSSSB-UHFFFAOYSA-N 1 1 363.418 0.947 20 5 FCBDMO CCN1CCC([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000268810592 488451261 /nfs/dbraw/zinc/45/12/61/488451261.db2.gz IVBWDICBGDEWEA-UHFFFAOYSA-N 1 1 356.448 0.947 20 5 FCBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000245431677 488464291 /nfs/dbraw/zinc/46/42/91/488464291.db2.gz OESKOVSKMIWKSH-IHRRRGAJSA-N 1 1 360.436 0.440 20 5 FCBDMO C[C@H](O)C[N@H+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000249091167 488506304 /nfs/dbraw/zinc/50/63/04/488506304.db2.gz UQSHOMFMHJJKBN-KGLIPLIRSA-N 1 1 362.430 0.871 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000110826168 488527002 /nfs/dbraw/zinc/52/70/02/488527002.db2.gz KWUXDCSLOMMRFT-ZDUSSCGKSA-N 1 1 364.402 0.677 20 5 FCBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000261689313 488530945 /nfs/dbraw/zinc/53/09/45/488530945.db2.gz IDLDWDGHVADMNE-ZDUSSCGKSA-N 1 1 355.358 0.991 20 5 FCBDMO O=C1C[NH2+]CCN1[C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000262500478 488573659 /nfs/dbraw/zinc/57/36/59/488573659.db2.gz IBJMFTWOCPJSTC-GFCCVEGCSA-N 1 1 368.415 0.180 20 5 FCBDMO COC(=O)C1(O)CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273149253 488634594 /nfs/dbraw/zinc/63/45/94/488634594.db2.gz LPNIMFNCVNNUNK-LBPRGKRZSA-N 1 1 354.359 0.334 20 5 FCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000129938144 488634889 /nfs/dbraw/zinc/63/48/89/488634889.db2.gz DRLYTSHNGVAMJD-UONOGXRCSA-N 1 1 359.386 0.694 20 5 FCBDMO C[C@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000273487192 488653988 /nfs/dbraw/zinc/65/39/88/488653988.db2.gz OFIJQDKADFDZPK-LLVKDONJSA-N 1 1 358.420 0.622 20 5 FCBDMO CC[NH+]1CCN(CCCCNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000133621187 488661160 /nfs/dbraw/zinc/66/11/60/488661160.db2.gz OJEDXIUWPBQXLV-UHFFFAOYSA-N 1 1 367.454 0.508 20 5 FCBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000264445396 488674335 /nfs/dbraw/zinc/67/43/35/488674335.db2.gz CFEDIOSNFJUQJX-CYBMUJFWSA-N 1 1 360.374 0.626 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000264449625 488674764 /nfs/dbraw/zinc/67/47/64/488674764.db2.gz CPRMVMWYPABHLS-AWEZNQCLSA-N 1 1 368.365 0.569 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000264471099 488677244 /nfs/dbraw/zinc/67/72/44/488677244.db2.gz GHWGRVBQSNGNSJ-ZDUSSCGKSA-N 1 1 365.346 0.573 20 5 FCBDMO C[N@@H+](CC(=O)N1CCOCC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000274030379 488679867 /nfs/dbraw/zinc/67/98/67/488679867.db2.gz CLNHOGKHGPQCSG-AWEZNQCLSA-N 1 1 353.375 0.125 20 5 FCBDMO C[N@H+](CC(=O)N1CCOCC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000274030379 488679869 /nfs/dbraw/zinc/67/98/69/488679869.db2.gz CLNHOGKHGPQCSG-AWEZNQCLSA-N 1 1 353.375 0.125 20 5 FCBDMO O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CC[NH+](CCO)CC1 ZINC000264534788 488683145 /nfs/dbraw/zinc/68/31/45/488683145.db2.gz YTMKVUYMJYKXTI-UHFFFAOYSA-N 1 1 370.793 0.115 20 5 FCBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000264571114 488686764 /nfs/dbraw/zinc/68/67/64/488686764.db2.gz SEKNSEMSTFQZKI-LLVKDONJSA-N 1 1 353.354 0.386 20 5 FCBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000264598198 488688816 /nfs/dbraw/zinc/68/88/16/488688816.db2.gz XGOCEURXBHPRDK-CYBMUJFWSA-N 1 1 351.359 0.832 20 5 FCBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000554635060 491214624 /nfs/dbraw/zinc/21/46/24/491214624.db2.gz ABBZNKDEEKKXJY-AWEZNQCLSA-N 1 1 363.418 0.947 20 5 FCBDMO COc1ccc(NC(=O)CN2CC[NH+](C[C@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000275041870 488755958 /nfs/dbraw/zinc/75/59/58/488755958.db2.gz HJSNRUPLQCSFLJ-LBPRGKRZSA-N 1 1 352.391 0.540 20 5 FCBDMO C[C@@H]1C[C@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000161956850 488799696 /nfs/dbraw/zinc/79/96/96/488799696.db2.gz UBMNOONBIFJAQG-CHWSQXEVSA-N 1 1 356.448 0.945 20 5 FCBDMO C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000161956850 488799702 /nfs/dbraw/zinc/79/97/02/488799702.db2.gz UBMNOONBIFJAQG-CHWSQXEVSA-N 1 1 356.448 0.945 20 5 FCBDMO Cc1csc(N2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000174780498 488851229 /nfs/dbraw/zinc/85/12/29/488851229.db2.gz VCHRAGGOYWQIQK-ZDUSSCGKSA-N 1 1 352.420 0.739 20 5 FCBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000563199234 491226454 /nfs/dbraw/zinc/22/64/54/491226454.db2.gz IMCFIXZVFPILNT-UHFFFAOYSA-N 1 1 368.365 0.636 20 5 FCBDMO CCOC(=O)c1cc(N2CCC[N@H+](CC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000365273340 489056979 /nfs/dbraw/zinc/05/69/79/489056979.db2.gz ZGLLWCARSWMJHV-UHFFFAOYSA-N 1 1 350.375 0.769 20 5 FCBDMO CCOC(=O)c1cc(N2CCC[N@@H+](CC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000365273340 489056981 /nfs/dbraw/zinc/05/69/81/489056981.db2.gz ZGLLWCARSWMJHV-UHFFFAOYSA-N 1 1 350.375 0.769 20 5 FCBDMO COc1cc(OCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000281617559 489092215 /nfs/dbraw/zinc/09/22/15/489092215.db2.gz PAMJKPPRUBCPBY-STQMWFEESA-N 1 1 367.402 0.896 20 5 FCBDMO COc1cc(OCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000281617559 489092219 /nfs/dbraw/zinc/09/22/19/489092219.db2.gz PAMJKPPRUBCPBY-STQMWFEESA-N 1 1 367.402 0.896 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000290242277 489123827 /nfs/dbraw/zinc/12/38/27/489123827.db2.gz XAZUGNACCPABGZ-UHFFFAOYSA-N 1 1 354.455 0.832 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000290242277 489123832 /nfs/dbraw/zinc/12/38/32/489123832.db2.gz XAZUGNACCPABGZ-UHFFFAOYSA-N 1 1 354.455 0.832 20 5 FCBDMO Cc1nn(CCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c(C)c1[N+](=O)[O-] ZINC000366042300 489138266 /nfs/dbraw/zinc/13/82/66/489138266.db2.gz RPFYNJQNPIPSML-CQSZACIVSA-N 1 1 351.407 0.731 20 5 FCBDMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000282441881 489164517 /nfs/dbraw/zinc/16/45/17/489164517.db2.gz JPIURSQZMDRAPT-UHFFFAOYSA-N 1 1 356.354 0.675 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000282843897 489193673 /nfs/dbraw/zinc/19/36/73/489193673.db2.gz AVYOQRSHWQFJOG-OLZOCXBDSA-N 1 1 366.418 0.929 20 5 FCBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1F ZINC000283163693 489221495 /nfs/dbraw/zinc/22/14/95/489221495.db2.gz PCKLGWIGSRLWGH-UKRRQHHQSA-N 1 1 373.406 0.321 20 5 FCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000370545911 489373111 /nfs/dbraw/zinc/37/31/11/489373111.db2.gz IUGGHLKWPKLPJH-LSDHHAIUSA-N 1 1 364.402 0.516 20 5 FCBDMO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000362079218 489374684 /nfs/dbraw/zinc/37/46/84/489374684.db2.gz OZUVXVLWIWHIBE-HNNXBMFYSA-N 1 1 356.386 1.313 20 5 FCBDMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000299014570 489394906 /nfs/dbraw/zinc/39/49/06/489394906.db2.gz LBWSDYUITDIJQG-CHWSQXEVSA-N 1 1 372.381 0.934 20 5 FCBDMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)C1 ZINC000371825505 489514276 /nfs/dbraw/zinc/51/42/76/489514276.db2.gz VILOZMHBHWNOSY-HNNXBMFYSA-N 1 1 366.466 0.555 20 5 FCBDMO CN(C(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371973263 489531108 /nfs/dbraw/zinc/53/11/08/489531108.db2.gz JBBVJTAHVSNCMR-CYBMUJFWSA-N 1 1 363.418 0.936 20 5 FCBDMO COc1cc(S(=O)(=O)NCC[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000451993174 489536377 /nfs/dbraw/zinc/53/63/77/489536377.db2.gz MPILDKZZOYFLPR-UHFFFAOYSA-N 1 1 359.404 0.338 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000426948851 489588240 /nfs/dbraw/zinc/58/82/40/489588240.db2.gz QDTJTVSRTRBLFQ-GFCCVEGCSA-N 1 1 364.402 0.921 20 5 FCBDMO CNc1nc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000456009185 489604832 /nfs/dbraw/zinc/60/48/32/489604832.db2.gz DUZIMOYOMRMROW-LLVKDONJSA-N 1 1 351.407 0.949 20 5 FCBDMO COc1cc(C(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000457081181 489635056 /nfs/dbraw/zinc/63/50/56/489635056.db2.gz BCAFZIYWKLARSE-NSHDSACASA-N 1 1 353.375 0.751 20 5 FCBDMO COc1cc(C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000457081181 489635057 /nfs/dbraw/zinc/63/50/57/489635057.db2.gz BCAFZIYWKLARSE-NSHDSACASA-N 1 1 353.375 0.751 20 5 FCBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000457125259 489637644 /nfs/dbraw/zinc/63/76/44/489637644.db2.gz NZDGWGHDJDNBHQ-GFCCVEGCSA-N 1 1 365.386 0.434 20 5 FCBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000457125259 489637646 /nfs/dbraw/zinc/63/76/46/489637646.db2.gz NZDGWGHDJDNBHQ-GFCCVEGCSA-N 1 1 365.386 0.434 20 5 FCBDMO CCN1CC[NH+](CC(C)(C)NC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 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ZINC000888988475 663576127 /nfs/dbraw/zinc/57/61/27/663576127.db2.gz MHFAFOUKIUVJHJ-UHFFFAOYSA-N 1 1 364.431 0.919 20 5 FCBDMO CN1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC[N@@H+](C)CC1 ZINC000888988475 663576129 /nfs/dbraw/zinc/57/61/29/663576129.db2.gz MHFAFOUKIUVJHJ-UHFFFAOYSA-N 1 1 364.431 0.919 20 5 FCBDMO CN(C(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1)C1CC1 ZINC000981764607 664838777 /nfs/dbraw/zinc/83/87/77/664838777.db2.gz VHGOKLGLTIHDPS-ZIAGYGMSSA-N 1 1 350.419 0.197 20 5 FCBDMO C[C@@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H]1C[N@@H+](C)CCN1C ZINC000896550060 665093456 /nfs/dbraw/zinc/09/34/56/665093456.db2.gz QLEYKSKCLQUEKC-MFKMUULPSA-N 1 1 350.375 0.688 20 5 FCBDMO Cc1nn(CCC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c(C)c1[N+](=O)[O-] ZINC000896565027 665095198 /nfs/dbraw/zinc/09/51/98/665095198.db2.gz UBLHOEZHBCXKSD-SMDDNHRTSA-N 1 1 352.439 0.549 20 5 FCBDMO Cc1nn(CCC(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)c(C)c1[N+](=O)[O-] ZINC000896565027 665095200 /nfs/dbraw/zinc/09/52/00/665095200.db2.gz UBLHOEZHBCXKSD-SMDDNHRTSA-N 1 1 352.439 0.549 20 5 FCBDMO Cc1nn(CCC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)c(C)c1[N+](=O)[O-] ZINC000896565027 665095202 /nfs/dbraw/zinc/09/52/02/665095202.db2.gz UBLHOEZHBCXKSD-SMDDNHRTSA-N 1 1 352.439 0.549 20 5 FCBDMO Cc1nn(CCC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)c(C)c1[N+](=O)[O-] ZINC000896565027 665095203 /nfs/dbraw/zinc/09/52/03/665095203.db2.gz UBLHOEZHBCXKSD-SMDDNHRTSA-N 1 1 352.439 0.549 20 5 FCBDMO CC1CCN(C(=O)C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000996429245 666921199 /nfs/dbraw/zinc/92/11/99/666921199.db2.gz NNXQEKBZWABXNA-HUUCEWRRSA-N 1 1 352.435 0.491 20 5 FCBDMO Cc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000920023140 667220707 /nfs/dbraw/zinc/22/07/07/667220707.db2.gz XWLYSCHXVMDZRA-SWLSCSKDSA-N 1 1 356.448 0.816 20 5 FCBDMO Cc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000920023140 667220708 /nfs/dbraw/zinc/22/07/08/667220708.db2.gz XWLYSCHXVMDZRA-SWLSCSKDSA-N 1 1 356.448 0.816 20 5 FCBDMO O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1)NC1CC1 ZINC000946589176 667669011 /nfs/dbraw/zinc/66/90/11/667669011.db2.gz KPHFYLFTXYXTMO-AYRXBEOTSA-N 1 1 350.419 0.101 20 5 FCBDMO O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1)NC1CC1 ZINC000946589176 667669014 /nfs/dbraw/zinc/66/90/14/667669014.db2.gz KPHFYLFTXYXTMO-AYRXBEOTSA-N 1 1 350.419 0.101 20 5 FCBDMO O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1)NC1CC1 ZINC000946589176 667669015 /nfs/dbraw/zinc/66/90/15/667669015.db2.gz KPHFYLFTXYXTMO-AYRXBEOTSA-N 1 1 350.419 0.101 20 5 FCBDMO CCn1nnc(C)c1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001034643416 667762027 /nfs/dbraw/zinc/76/20/27/667762027.db2.gz OPKLHYJBCCHLQP-AAVRWANBSA-N 1 1 350.423 0.789 20 5 FCBDMO COC(=O)CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000743872353 668053005 /nfs/dbraw/zinc/05/30/05/668053005.db2.gz PBMZQFGRAITRPE-CQSZACIVSA-N 1 1 356.379 0.196 20 5 FCBDMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000769266663 668124617 /nfs/dbraw/zinc/12/46/17/668124617.db2.gz FZIMDYGVLBIYOZ-UHFFFAOYSA-N 1 1 358.782 0.617 20 5 FCBDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000808334190 668536117 /nfs/dbraw/zinc/53/61/17/668536117.db2.gz DKOVVWIBIQVVFS-UHFFFAOYSA-N 1 1 350.466 0.818 20 5 FCBDMO CN(CCCNS(=O)(=O)c1csc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000808334190 668536122 /nfs/dbraw/zinc/53/61/22/668536122.db2.gz DKOVVWIBIQVVFS-UHFFFAOYSA-N 1 1 350.466 0.818 20 5 FCBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000785801217 668732373 /nfs/dbraw/zinc/73/23/73/668732373.db2.gz QGABHLFIWLEDCC-NWDGAFQWSA-N 1 1 356.404 0.517 20 5 FCBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000785801219 668732384 /nfs/dbraw/zinc/73/23/84/668732384.db2.gz QGABHLFIWLEDCC-VXGBXAGGSA-N 1 1 356.404 0.517 20 5 FCBDMO COC(=O)COc1ccc(C[NH2+]C2CN(C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000788962405 668845950 /nfs/dbraw/zinc/84/59/50/668845950.db2.gz DENNFRKRULPBMH-UHFFFAOYSA-N 1 1 353.331 0.687 20 5 FCBDMO NC(=O)C[NH+]1CCC(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790493947 668877554 /nfs/dbraw/zinc/87/75/54/668877554.db2.gz DTGLEALLKZVELD-UHFFFAOYSA-N 1 1 372.784 0.996 20 5 FCBDMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000824003170 669369083 /nfs/dbraw/zinc/36/90/83/669369083.db2.gz RFPUMYVVLVCROF-UHFFFAOYSA-N 1 1 350.379 0.509 20 5 FCBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000827350947 669557693 /nfs/dbraw/zinc/55/76/93/669557693.db2.gz ZFCUJKIHDDTZGZ-CVEARBPZSA-N 1 1 351.403 0.981 20 5 FCBDMO COC(=O)Nc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000842697931 670714763 /nfs/dbraw/zinc/71/47/63/670714763.db2.gz JBDKTQQUXGYQNM-VIFPVBQESA-N 1 1 358.376 0.756 20 5 FCBDMO C[C@H]1CN(S(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000842717698 670720007 /nfs/dbraw/zinc/72/00/07/670720007.db2.gz NMCUZOSFAFYPCF-JTQLQIEISA-N 1 1 370.387 0.534 20 5 FCBDMO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC(F)(F)C[NH3+])c(C)c1[N+](=O)[O-] ZINC000842769428 670728982 /nfs/dbraw/zinc/72/89/82/670728982.db2.gz NWIQYNBHJHGWRE-UHFFFAOYSA-N 1 1 368.318 0.992 20 5 FCBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1CCS(=O)(=O)N1 ZINC000845575410 671025262 /nfs/dbraw/zinc/02/52/62/671025262.db2.gz HHKNGQNFUNWNTL-UONOGXRCSA-N 1 1 369.399 0.404 20 5 FCBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1CCS(=O)(=O)N1 ZINC000845575410 671025267 /nfs/dbraw/zinc/02/52/67/671025267.db2.gz HHKNGQNFUNWNTL-UONOGXRCSA-N 1 1 369.399 0.404 20 5 FCBDMO Cc1csc(=O)n1CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048813046 675898352 /nfs/dbraw/zinc/89/83/52/675898352.db2.gz XEMYJXGFGUEIJG-XJFOESAGSA-N 1 1 366.443 0.274 20 5 FCBDMO Cc1csc(=O)n1CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048813046 675898354 /nfs/dbraw/zinc/89/83/54/675898354.db2.gz XEMYJXGFGUEIJG-XJFOESAGSA-N 1 1 366.443 0.274 20 5 FCBDMO Cc1csc(=O)n1CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048813046 675898358 /nfs/dbraw/zinc/89/83/58/675898358.db2.gz XEMYJXGFGUEIJG-XJFOESAGSA-N 1 1 366.443 0.274 20 5 FCBDMO NS(=O)(=O)c1ccc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000853241187 671544436 /nfs/dbraw/zinc/54/44/36/671544436.db2.gz JEHOQYULHIIIDS-NEPJUHHUSA-N 1 1 356.404 0.517 20 5 FCBDMO CN(C)C(=O)CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000853833131 671558781 /nfs/dbraw/zinc/55/87/81/671558781.db2.gz LHUKOEIQRIXJMQ-UHFFFAOYSA-N 1 1 372.447 0.455 20 5 FCBDMO O=C(CCC(F)F)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055600372 676026377 /nfs/dbraw/zinc/02/63/77/676026377.db2.gz SVHGGKBIPFECNC-VXGBXAGGSA-N 1 1 362.377 0.394 20 5 FCBDMO O=C(CC[NH+]1CCCCC1)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000947044928 673910724 /nfs/dbraw/zinc/91/07/24/673910724.db2.gz ZOPDLRQJGHRAQJ-HUUCEWRRSA-N 1 1 352.435 0.635 20 5 FCBDMO C[NH+]1CCC(C(=O)NCC2=CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001017545708 675412913 /nfs/dbraw/zinc/41/29/13/675412913.db2.gz LOXGIXGMFLMXQG-HUUCEWRRSA-N 1 1 350.419 0.268 20 5 FCBDMO O=C(N[C@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)OCCO3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064083 1170553654 /nfs/dbraw/zinc/55/36/54/1170553654.db2.gz VGKUIAMFUSSRSO-LXTVHRRPSA-N 1 1 361.398 0.902 20 5 FCBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cnnn2-c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063529 1170556385 /nfs/dbraw/zinc/55/63/85/1170556385.db2.gz CYDFZMBABGIWLW-NOXHYTERSA-N 1 1 356.386 0.669 20 5 FCBDMO O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NCC1CCCCC1 ZINC001691093375 1170794889 /nfs/dbraw/zinc/79/48/89/1170794889.db2.gz POPHCFKZUIPCCE-QKPAOTATSA-N 1 1 366.462 0.833 20 5 FCBDMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])cc2)CC1 ZINC000548927036 1181341554 /nfs/dbraw/zinc/34/15/54/1181341554.db2.gz DQFPTSRHPNBWJX-UHFFFAOYSA-N 1 1 372.385 0.887 20 5 FCBDMO O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC[NH+](CC2CC2)CC1 ZINC000974110894 1182999982 /nfs/dbraw/zinc/99/99/82/1182999982.db2.gz HLBGLZVOXBXQDO-QKPAOTATSA-N 1 1 364.446 0.537 20 5 FCBDMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000725894494 1183040643 /nfs/dbraw/zinc/04/06/43/1183040643.db2.gz BQUITOQOAKWMPG-CABCVRRESA-N 1 1 359.386 0.924 20 5 FCBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000894955648 1188340432 /nfs/dbraw/zinc/34/04/32/1188340432.db2.gz SKZYFVVJVRXKCZ-UHFFFAOYSA-N 1 1 361.402 0.690 20 5 FCBDMO COc1cc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])cc1OC ZINC000896582869 1190103803 /nfs/dbraw/zinc/10/38/03/1190103803.db2.gz VUGMOJOMDMEKIS-RISCZKNCSA-N 1 1 366.418 0.976 20 5 FCBDMO COc1cc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])cc1OC ZINC000896582868 1190104063 /nfs/dbraw/zinc/10/40/63/1190104063.db2.gz VUGMOJOMDMEKIS-FZMZJTMJSA-N 1 1 366.418 0.976 20 5 FCBDMO CC(C)N(Cc1ccccc1)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126942672 1194947053 /nfs/dbraw/zinc/94/70/53/1194947053.db2.gz DJICKRDIHARPIF-HZPDHXFCSA-N 1 1 362.430 0.795 20 5 FCBDMO COCCOCC[NH+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000593118983 1196751099 /nfs/dbraw/zinc/75/10/99/1196751099.db2.gz XYWCVFKXXHFVMP-UHFFFAOYSA-N 1 1 366.418 0.814 20 5 FCBDMO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cnnn2-c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086082792 1198140957 /nfs/dbraw/zinc/14/09/57/1198140957.db2.gz DEJCWMSNIGTDSY-DLTLXFJOSA-N 1 1 370.413 0.917 20 5 FCBDMO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000743373095 1198263687 /nfs/dbraw/zinc/26/36/87/1198263687.db2.gz JJZKYISHJZGEIQ-CYBMUJFWSA-N 1 1 374.397 0.945 20 5 FCBDMO O=C(N[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001169027082 1199043600 /nfs/dbraw/zinc/04/36/00/1199043600.db2.gz ZTWKWJGWUDIIHO-STGWMILLSA-N 1 1 361.402 0.351 20 5 FCBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818592616 1203143250 /nfs/dbraw/zinc/14/32/50/1203143250.db2.gz CVZHWPJNDZDQPE-HNNXBMFYSA-N 1 1 369.385 0.851 20 5 FCBDMO COC(=O)Cc1ccc(N2CC(CN3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000858610618 1209797316 /nfs/dbraw/zinc/79/73/16/1209797316.db2.gz FRALQQJWULFCRC-UHFFFAOYSA-N 1 1 362.430 0.994 20 5 FCBDMO C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C[C@H]1C[C@@H](O)C1 ZINC000859967844 1209834268 /nfs/dbraw/zinc/83/42/68/1209834268.db2.gz OATUREFZQYYIAQ-KDYLLFBJSA-N 1 1 362.430 0.946 20 5 FCBDMO C[C@]1(C(N)=O)CC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000794701839 1209961381 /nfs/dbraw/zinc/96/13/81/1209961381.db2.gz DASAMRVJXSEEHJ-INIZCTEOSA-N 1 1 361.358 0.518 20 5 FCBDMO C[C@]1(C(N)=O)CC[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000794701839 1209961384 /nfs/dbraw/zinc/96/13/84/1209961384.db2.gz DASAMRVJXSEEHJ-INIZCTEOSA-N 1 1 361.358 0.518 20 5 FCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)C[N@@H+](CCOC1CCC1)CCO2 ZINC000949365728 1212363494 /nfs/dbraw/zinc/36/34/94/1212363494.db2.gz CMIRILRXVBHTAT-HZPDHXFCSA-N 1 1 367.446 0.914 20 5 FCBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000953929032 1213024883 /nfs/dbraw/zinc/02/48/83/1213024883.db2.gz STHMIDZTIRMEJD-HZPDHXFCSA-N 1 1 366.462 0.833 20 5 FCBDMO CN(C(=O)C1CC[NH+](CC2CC2)CC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000955389491 1213151594 /nfs/dbraw/zinc/15/15/94/1213151594.db2.gz ZQHSXBUZXFCSQH-HZPDHXFCSA-N 1 1 364.446 0.443 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](CCn1cncn1)CC2 ZINC000957547777 1213320404 /nfs/dbraw/zinc/32/04/04/1213320404.db2.gz QFISGMWTPMEFTG-HUUCEWRRSA-N 1 1 362.434 0.648 20 5 FCBDMO CC1(C)CC[N@@H+](CC(=O)N2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)C1 ZINC001019443036 1214243070 /nfs/dbraw/zinc/24/30/70/1214243070.db2.gz FPNKVRQGZTWVQL-ZIAGYGMSSA-N 1 1 364.446 0.444 20 5 FCBDMO CC1(C)CC[N@H+](CC(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C3)C1 ZINC001019443036 1214243079 /nfs/dbraw/zinc/24/30/79/1214243079.db2.gz FPNKVRQGZTWVQL-ZIAGYGMSSA-N 1 1 364.446 0.444 20 5 FCBDMO CC1(C)CC[N@@H+](CC(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C3)C1 ZINC001019443036 1214243088 /nfs/dbraw/zinc/24/30/88/1214243088.db2.gz FPNKVRQGZTWVQL-ZIAGYGMSSA-N 1 1 364.446 0.444 20 5 FCBDMO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000965222528 1215035144 /nfs/dbraw/zinc/03/51/44/1215035144.db2.gz VXQYZJDYCUVLCA-QKPAOTATSA-N 1 1 364.446 0.728 20 5 FCBDMO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000965222528 1215035146 /nfs/dbraw/zinc/03/51/46/1215035146.db2.gz VXQYZJDYCUVLCA-QKPAOTATSA-N 1 1 364.446 0.728 20 5 FCBDMO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000965222528 1215035149 /nfs/dbraw/zinc/03/51/49/1215035149.db2.gz VXQYZJDYCUVLCA-QKPAOTATSA-N 1 1 364.446 0.728 20 5 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IKFAZMIGBXGOED-GXTWGEPZSA-N 1 1 359.404 0.087 20 5 FCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000370545909 489372943 /nfs/dbraw/zinc/37/29/43/489372943.db2.gz IUGGHLKWPKLPJH-HUUCEWRRSA-N 1 1 364.402 0.516 20 5 FCBDMO CNS(=O)(=O)[C@@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000362130369 489376075 /nfs/dbraw/zinc/37/60/75/489376075.db2.gz MMZYEBWGWVQOIN-GFCCVEGCSA-N 1 1 359.404 0.606 20 5 FCBDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000362130369 489376078 /nfs/dbraw/zinc/37/60/78/489376078.db2.gz MMZYEBWGWVQOIN-GFCCVEGCSA-N 1 1 359.404 0.606 20 5 FCBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000362218329 489379172 /nfs/dbraw/zinc/37/91/72/489379172.db2.gz KUNQLABOPCLSEM-HZPDHXFCSA-N 1 1 351.403 0.741 20 5 FCBDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000286369911 489384499 /nfs/dbraw/zinc/38/44/99/489384499.db2.gz GGOGCMJPDGZYGC-CMPLNLGQSA-N 1 1 366.296 0.580 20 5 FCBDMO CC[N@@H+]1CCO[C@@H](C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000363115971 489425463 /nfs/dbraw/zinc/42/54/63/489425463.db2.gz ZFHWUCZYIYWAGW-MRXNPFEDSA-N 1 1 367.402 0.991 20 5 FCBDMO CC[N@H+]1CCO[C@@H](C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000363115971 489425465 /nfs/dbraw/zinc/42/54/65/489425465.db2.gz ZFHWUCZYIYWAGW-MRXNPFEDSA-N 1 1 367.402 0.991 20 5 FCBDMO COc1ccc(C(=O)NCC(=O)NCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000299280271 489427908 /nfs/dbraw/zinc/42/79/08/489427908.db2.gz RCMRZVSRWRWKFJ-UHFFFAOYSA-N 1 1 350.375 0.544 20 5 FCBDMO COc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000363370148 489458467 /nfs/dbraw/zinc/45/84/67/489458467.db2.gz BBQPSQDDJHWKGH-RYUDHWBXSA-N 1 1 371.415 0.745 20 5 FCBDMO COc1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000363370148 489458470 /nfs/dbraw/zinc/45/84/70/489458470.db2.gz BBQPSQDDJHWKGH-RYUDHWBXSA-N 1 1 371.415 0.745 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000287257661 489473368 /nfs/dbraw/zinc/47/33/68/489473368.db2.gz SCIKTAZVSYCSEO-LBPRGKRZSA-N 1 1 352.391 0.811 20 5 FCBDMO O=C(NCC(F)F)[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451800020 489525086 /nfs/dbraw/zinc/52/50/86/489525086.db2.gz YQQPAQKFZWLVEA-RYUDHWBXSA-N 1 1 361.349 0.388 20 5 FCBDMO O=C(NCC(F)F)[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451800020 489525090 /nfs/dbraw/zinc/52/50/90/489525090.db2.gz YQQPAQKFZWLVEA-RYUDHWBXSA-N 1 1 361.349 0.388 20 5 FCBDMO O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000372246908 489563465 /nfs/dbraw/zinc/56/34/65/489563465.db2.gz IBWGUPVURCYLBF-ZDUSSCGKSA-N 1 1 364.402 0.437 20 5 FCBDMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC[N@@H+]1C[C@@H](C)O ZINC000455784553 489600349 /nfs/dbraw/zinc/60/03/49/489600349.db2.gz IJGJQTIDYJHOPF-NEPJUHHUSA-N 1 1 351.407 0.949 20 5 FCBDMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC[N@H+]1C[C@@H](C)O ZINC000455784553 489600352 /nfs/dbraw/zinc/60/03/52/489600352.db2.gz IJGJQTIDYJHOPF-NEPJUHHUSA-N 1 1 351.407 0.949 20 5 FCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000456159710 489608544 /nfs/dbraw/zinc/60/85/44/489608544.db2.gz FWAVGSFWGBZESN-YPMHNXCESA-N 1 1 368.415 0.036 20 5 FCBDMO Cc1nn(CCC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000456213889 489610517 /nfs/dbraw/zinc/61/05/17/489610517.db2.gz RJETYDHKHXHTNW-TXEJJXNPSA-N 1 1 353.423 0.712 20 5 FCBDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000373150765 489674412 /nfs/dbraw/zinc/67/44/12/489674412.db2.gz DGYRSNCVZNHHCU-LBPRGKRZSA-N 1 1 370.431 0.937 20 5 FCBDMO CNc1ccc(C(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000570933516 491274130 /nfs/dbraw/zinc/27/41/30/491274130.db2.gz UBTIUUCUIIKYDB-LBPRGKRZSA-N 1 1 350.375 0.813 20 5 FCBDMO CNc1ccc(C(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000570933516 491274133 /nfs/dbraw/zinc/27/41/33/491274133.db2.gz UBTIUUCUIIKYDB-LBPRGKRZSA-N 1 1 350.375 0.813 20 5 FCBDMO COC(=O)CN1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000475310665 489820084 /nfs/dbraw/zinc/82/00/84/489820084.db2.gz DQHSGOWFBNUXBH-ZDUSSCGKSA-N 1 1 353.375 0.125 20 5 FCBDMO C[C@@](O)(CNC(=O)CCOc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000434324166 489922673 /nfs/dbraw/zinc/92/26/73/489922673.db2.gz MSUYQYLEOAWXFM-QGZVFWFLSA-N 1 1 367.402 0.563 20 5 FCBDMO COc1cc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c([N+](=O)[O-])cc1OC ZINC000571171206 491290105 /nfs/dbraw/zinc/29/01/05/491290105.db2.gz GOAARQVNYJMTJM-NSHDSACASA-N 1 1 359.404 0.736 20 5 FCBDMO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000377739717 489951524 /nfs/dbraw/zinc/95/15/24/489951524.db2.gz JIRQNXYJHPDMPL-MRXNPFEDSA-N 1 1 362.430 0.660 20 5 FCBDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000462507461 489978987 /nfs/dbraw/zinc/97/89/87/489978987.db2.gz XSJXZJYUIWICIW-UHFFFAOYSA-N 1 1 361.420 0.850 20 5 FCBDMO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000478065001 490003816 /nfs/dbraw/zinc/00/38/16/490003816.db2.gz JINYGMRERPXOTG-UHFFFAOYSA-N 1 1 372.385 0.968 20 5 FCBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCN1CCOCC1 ZINC000421021537 490044233 /nfs/dbraw/zinc/04/42/33/490044233.db2.gz OKJAAEAIJMDTCH-UHFFFAOYSA-N 1 1 372.447 0.137 20 5 FCBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCN1CCOCC1 ZINC000421021537 490044236 /nfs/dbraw/zinc/04/42/36/490044236.db2.gz OKJAAEAIJMDTCH-UHFFFAOYSA-N 1 1 372.447 0.137 20 5 FCBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)n1 ZINC000378407540 490059517 /nfs/dbraw/zinc/05/95/17/490059517.db2.gz XQGYLNRBEZRFRM-ZIAGYGMSSA-N 1 1 359.386 0.694 20 5 FCBDMO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000378422388 490061630 /nfs/dbraw/zinc/06/16/30/490061630.db2.gz ODWTXXAXPAONDW-HUUCEWRRSA-N 1 1 362.386 0.591 20 5 FCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000545164265 490089146 /nfs/dbraw/zinc/08/91/46/490089146.db2.gz UOUMADDGJAIXOU-CQSZACIVSA-N 1 1 356.766 0.370 20 5 FCBDMO Cc1[nH]nc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000497462876 490163889 /nfs/dbraw/zinc/16/38/89/490163889.db2.gz PZKAEACAAWGGKL-DGCLKSJQSA-N 1 1 350.423 0.724 20 5 FCBDMO CN(C)C(=O)C(C)(C)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533064302 490165021 /nfs/dbraw/zinc/16/50/21/490165021.db2.gz MOEBGRJRUCLKKU-UHFFFAOYSA-N 1 1 352.347 0.718 20 5 FCBDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000447394656 490229159 /nfs/dbraw/zinc/22/91/59/490229159.db2.gz MJEGCTBMJNROFS-UKRRQHHQSA-N 1 1 355.391 0.102 20 5 FCBDMO CNC(=O)N[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000466935968 490231132 /nfs/dbraw/zinc/23/11/32/490231132.db2.gz MNKZDWMCKDJQMA-LLVKDONJSA-N 1 1 365.390 0.935 20 5 FCBDMO CCn1cc(S(=O)(=O)NCCNc2cccc(C)[nH+]2)c([N+](=O)[O-])n1 ZINC000533634869 490269579 /nfs/dbraw/zinc/26/95/79/490269579.db2.gz VMNPGGDXZRLNHF-UHFFFAOYSA-N 1 1 354.392 0.905 20 5 FCBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000498722527 490332340 /nfs/dbraw/zinc/33/23/40/490332340.db2.gz OTGXQIRHQKDTKT-LBPRGKRZSA-N 1 1 362.386 0.873 20 5 FCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448951880 490391084 /nfs/dbraw/zinc/39/10/84/490391084.db2.gz CZEFFXHLBJSBIO-CQSZACIVSA-N 1 1 358.402 0.756 20 5 FCBDMO CCC[C@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000548059980 490414000 /nfs/dbraw/zinc/41/40/00/490414000.db2.gz SSDFVRFLEZIHNV-LBPRGKRZSA-N 1 1 351.407 1.145 20 5 FCBDMO CCC[C@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000548059980 490414009 /nfs/dbraw/zinc/41/40/09/490414009.db2.gz SSDFVRFLEZIHNV-LBPRGKRZSA-N 1 1 351.407 1.145 20 5 FCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[NH+]1CCSCC1 ZINC000468819814 490452420 /nfs/dbraw/zinc/45/24/20/490452420.db2.gz DRFNCEZNFVLBKB-GFCCVEGCSA-N 1 1 370.479 0.992 20 5 FCBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@H](C)[N@H+]1CCO ZINC000556674339 491327266 /nfs/dbraw/zinc/32/72/66/491327266.db2.gz FMTJAQFZIZQPHB-TXEJJXNPSA-N 1 1 365.386 0.893 20 5 FCBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@H](C)[N@@H+]1CCO ZINC000556674339 491327268 /nfs/dbraw/zinc/32/72/68/491327268.db2.gz FMTJAQFZIZQPHB-TXEJJXNPSA-N 1 1 365.386 0.893 20 5 FCBDMO Cc1nc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)ncc1[N+](=O)[O-] ZINC000450311217 490459484 /nfs/dbraw/zinc/45/94/84/490459484.db2.gz GXERYZKRPZQFHK-HNNXBMFYSA-N 1 1 364.450 0.924 20 5 FCBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+](C)C(C)C ZINC000468939776 490468093 /nfs/dbraw/zinc/46/80/93/490468093.db2.gz KSMZSMDXVXMHRA-UHFFFAOYSA-N 1 1 359.404 1.000 20 5 FCBDMO NS(=O)(=O)c1cc(NC[C@H]2CCC[N@H+]2CCCO)cc([N+](=O)[O-])c1 ZINC000450589190 490475340 /nfs/dbraw/zinc/47/53/40/490475340.db2.gz CHAAFKWECIYISJ-GFCCVEGCSA-N 1 1 358.420 0.501 20 5 FCBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CCC[N@H+]1CCCO ZINC000450598771 490476700 /nfs/dbraw/zinc/47/67/00/490476700.db2.gz RDJSBESWOSITPL-LBPRGKRZSA-N 1 1 358.420 0.501 20 5 FCBDMO CC(C)[NH+]1CCN([C@H]2CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC000535582145 490504250 /nfs/dbraw/zinc/50/42/50/490504250.db2.gz PDMMZDFZJQUUMW-INIZCTEOSA-N 1 1 363.462 0.857 20 5 FCBDMO C[C@@H]1CC[NH2+]CC[C@@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422980074 490509806 /nfs/dbraw/zinc/50/98/06/490509806.db2.gz KRMDBAGIOYDDJW-OLZOCXBDSA-N 1 1 356.448 0.851 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000536751472 490612094 /nfs/dbraw/zinc/61/20/94/490612094.db2.gz GTRYCGTWJVIOQN-LLVKDONJSA-N 1 1 372.403 0.295 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000511644437 490612456 /nfs/dbraw/zinc/61/24/56/490612456.db2.gz CIYIYEPSIGDCPK-WCQGTBRESA-N 1 1 352.313 0.645 20 5 FCBDMO 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FCBDMO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC001329641414 1265797036 /nfs/dbraw/zinc/79/70/36/1265797036.db2.gz JKALLZQQGTYFNJ-HUBLWGQQSA-N 1 1 364.402 0.607 20 5 FCBDMO COc1ccc(CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC001321775059 1264058265 /nfs/dbraw/zinc/05/82/65/1264058265.db2.gz XJFAEWXHQWQVRY-NSHDSACASA-N 1 1 364.402 0.819 20 5 FCBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001321781551 1264059583 /nfs/dbraw/zinc/05/95/83/1264059583.db2.gz ZBLWACVCEDLLNB-INIZCTEOSA-N 1 1 360.414 0.950 20 5 FCBDMO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001322254678 1264175542 /nfs/dbraw/zinc/17/55/42/1264175542.db2.gz UTJBSDAZBIXUOZ-HOCLYGCPSA-N 1 1 360.414 0.997 20 5 FCBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001322646199 1264234337 /nfs/dbraw/zinc/23/43/37/1264234337.db2.gz NHXWHQWRGUBMKI-INIZCTEOSA-N 1 1 360.414 0.950 20 5 FCBDMO C[C@H](NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001323833136 1264525195 /nfs/dbraw/zinc/52/51/95/1264525195.db2.gz AJILRKPQWUNCKG-WFASDCNBSA-N 1 1 364.402 0.089 20 5 FCBDMO C[C@H](NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001323833136 1264525200 /nfs/dbraw/zinc/52/52/00/1264525200.db2.gz AJILRKPQWUNCKG-WFASDCNBSA-N 1 1 364.402 0.089 20 5 FCBDMO CC[NH+]1CCN(CCCCNC(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC001339084856 1268164566 /nfs/dbraw/zinc/16/45/66/1268164566.db2.gz VYBHCFNYFPKSIR-UHFFFAOYSA-N 1 1 352.439 0.784 20 5 FCBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001578874062 1276403595 /nfs/dbraw/zinc/40/35/95/1276403595.db2.gz IEWMHVCHGUUYSU-AOOOYVTPSA-N 1 1 357.388 0.752 20 5 FCBDMO [NH3+]CCC(=O)NC[C@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001580281859 1278084470 /nfs/dbraw/zinc/08/44/70/1278084470.db2.gz VUQNYDPQAYPJNH-HZPDHXFCSA-N 1 1 350.419 0.948 20 5 FCBDMO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001590578746 1283617388 /nfs/dbraw/zinc/61/73/88/1283617388.db2.gz KRJXKMFGCUOPOG-VIFPVBQESA-N 1 1 369.407 0.571 20 5 FCBDMO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001591018958 1284075433 /nfs/dbraw/zinc/07/54/33/1284075433.db2.gz CKXMLKHDIBZCJV-ZIAGYGMSSA-N 1 1 359.390 0.422 20 5 FCBDMO CN(CCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001591067005 1284126364 /nfs/dbraw/zinc/12/63/64/1284126364.db2.gz NPAIJLOTQBYYPY-HUUCEWRRSA-N 1 1 373.417 0.812 20 5 FCBDMO CN(CCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001591067005 1284126369 /nfs/dbraw/zinc/12/63/69/1284126369.db2.gz NPAIJLOTQBYYPY-HUUCEWRRSA-N 1 1 373.417 0.812 20 5 FCBDMO CN(CCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001591067005 1284126373 /nfs/dbraw/zinc/12/63/73/1284126373.db2.gz NPAIJLOTQBYYPY-HUUCEWRRSA-N 1 1 373.417 0.812 20 5 FCBDMO C[N@H+]1CCN(CCNc2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1(C)C ZINC001591193637 1284314781 /nfs/dbraw/zinc/31/47/81/1284314781.db2.gz USHVSOPZGQRUCO-UHFFFAOYSA-N 1 1 361.410 0.608 20 5 FCBDMO COCC[N@@H+]1[C@H](C)CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@@H]1C ZINC001591430308 1284577394 /nfs/dbraw/zinc/57/73/94/1284577394.db2.gz JOZRTPDPVIZCOE-PHIMTYICSA-N 1 1 362.394 0.715 20 5 FCBDMO O=c1cc2c(n[nH]1)CC[N@@H+](Cc1c(-c3nn[nH]n3)cccc1[N+](=O)[O-])C2 ZINC001593495757 1286181419 /nfs/dbraw/zinc/18/14/19/1286181419.db2.gz ULGCMPHFMOUKPH-UHFFFAOYSA-N 1 1 354.330 0.829 20 5 FCBDMO O=c1cc2c(n[nH]1)CC[N@H+](Cc1c(-c3nn[nH]n3)cccc1[N+](=O)[O-])C2 ZINC001593495757 1286181423 /nfs/dbraw/zinc/18/14/23/1286181423.db2.gz ULGCMPHFMOUKPH-UHFFFAOYSA-N 1 1 354.330 0.829 20 5 FCBDMO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001609289943 1289058435 /nfs/dbraw/zinc/05/84/35/1289058435.db2.gz XSHRIUCBHVTSLD-SECBINFHSA-N 1 1 367.391 0.147 20 5 FCBDMO COC(=O)C[C@]1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CCOC1 ZINC001609298741 1289068798 /nfs/dbraw/zinc/06/87/98/1289068798.db2.gz ZGJJUJXSYATKMJ-OAHLLOKOSA-N 1 1 362.346 0.587 20 5 FCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC001607077996 1288650377 /nfs/dbraw/zinc/65/03/77/1288650377.db2.gz XJNPPFMVZMXBHE-ZDUSSCGKSA-N 1 1 373.417 0.929 20 5 FCBDMO CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCN(C)c1cc[nH+]cc1 ZINC001689078701 1294599381 /nfs/dbraw/zinc/59/93/81/1294599381.db2.gz AUIYSLPKDCVZRC-HUUCEWRRSA-N 1 1 363.418 0.490 20 5 FCBDMO O=[N+]([O-])c1cc[n+]([O-])c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164738622 720612352 /nfs/dbraw/zinc/61/23/52/720612352.db2.gz CBYLUTBBEIHFIV-KGLIPLIRSA-N 1 1 358.358 0.360 20 5 FCBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC001165043326 721925203 /nfs/dbraw/zinc/92/52/03/721925203.db2.gz JBCDACWHLIXMSX-ZDUSSCGKSA-N 1 1 364.406 0.953 20 5 FCBDMO CCC1(NC(=O)CCC[NH+](C)C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001069368491 837528674 /nfs/dbraw/zinc/52/86/74/837528674.db2.gz UVZSBYLFYJFXLX-ZIAGYGMSSA-N 1 1 354.451 0.881 20 5 FCBDMO CC[N@@H+](C)CCC(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001061005448 836677298 /nfs/dbraw/zinc/67/72/98/836677298.db2.gz BAEBQBZHIXOXOV-ZIAGYGMSSA-N 1 1 352.435 0.444 20 5 FCBDMO CC[N@H+](C)CCC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001061005448 836677305 /nfs/dbraw/zinc/67/73/05/836677305.db2.gz BAEBQBZHIXOXOV-ZIAGYGMSSA-N 1 1 352.435 0.444 20 5 FCBDMO CC[N@@H+](C)CCC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001061005448 836677320 /nfs/dbraw/zinc/67/73/20/836677320.db2.gz BAEBQBZHIXOXOV-ZIAGYGMSSA-N 1 1 352.435 0.444 20 5 FCBDMO CC(C)[N@@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001061031459 836679758 /nfs/dbraw/zinc/67/97/58/836679758.db2.gz ADIDETGAHJVBDC-ZIAGYGMSSA-N 1 1 352.435 0.443 20 5 FCBDMO CC(C)[N@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001061031459 836679766 /nfs/dbraw/zinc/67/97/66/836679766.db2.gz ADIDETGAHJVBDC-ZIAGYGMSSA-N 1 1 352.435 0.443 20 5 FCBDMO CC(C)[N@@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001061031459 836679771 /nfs/dbraw/zinc/67/97/71/836679771.db2.gz ADIDETGAHJVBDC-ZIAGYGMSSA-N 1 1 352.435 0.443 20 5 FCBDMO Cc1ncc(C[N@@H+](CCO)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC001098364395 843909722 /nfs/dbraw/zinc/90/97/22/843909722.db2.gz SHTLMSCFDHFUKA-HUUCEWRRSA-N 1 1 368.459 0.902 20 5 FCBDMO Cc1ncc(C[N@H+](CCO)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC001098364395 843909726 /nfs/dbraw/zinc/90/97/26/843909726.db2.gz SHTLMSCFDHFUKA-HUUCEWRRSA-N 1 1 368.459 0.902 20 5 FCBDMO Cc1ncc(C[N@@H+](CCO)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC001098364395 843909730 /nfs/dbraw/zinc/90/97/30/843909730.db2.gz SHTLMSCFDHFUKA-HUUCEWRRSA-N 1 1 368.459 0.902 20 5 FCBDMO CC(C)OCCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098366212 843911352 /nfs/dbraw/zinc/91/13/52/843911352.db2.gz XBJMHWMOHMXNCF-HZPDHXFCSA-N 1 1 357.451 0.752 20 5 FCBDMO CC(C)OCCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001098366212 843911344 /nfs/dbraw/zinc/91/13/44/843911344.db2.gz XBJMHWMOHMXNCF-HZPDHXFCSA-N 1 1 357.451 0.752 20 5 FCBDMO CC(C)OCCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098366212 843911356 /nfs/dbraw/zinc/91/13/56/843911356.db2.gz XBJMHWMOHMXNCF-HZPDHXFCSA-N 1 1 357.451 0.752 20 5 FCBDMO CS(=O)(=O)CCC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001115530587 846561416 /nfs/dbraw/zinc/56/14/16/846561416.db2.gz FXRZQWVONHOBMF-CHWSQXEVSA-N 1 1 361.464 0.495 20 5 FCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C[C@H]1C ZINC001152770716 849725044 /nfs/dbraw/zinc/72/50/44/849725044.db2.gz HCTHMOMZUDIXIF-LLVKDONJSA-N 1 1 350.375 0.886 20 5 FCBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C[C@H]1C ZINC001152770716 849725050 /nfs/dbraw/zinc/72/50/50/849725050.db2.gz HCTHMOMZUDIXIF-LLVKDONJSA-N 1 1 350.375 0.886 20 5 FCBDMO Cc1ccc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(F)c1 ZINC001157775050 849993563 /nfs/dbraw/zinc/99/35/63/849993563.db2.gz JJJRSZDUNQKGMI-BXUZGUMPSA-N 1 1 352.366 0.834 20 5 FCBDMO Cc1nn(C)c(C(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)c1[N+](=O)[O-] ZINC001161578439 850273383 /nfs/dbraw/zinc/27/33/83/850273383.db2.gz GRJWYSDPYIKQBN-RYUDHWBXSA-N 1 1 351.407 0.866 20 5 FCBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC([N@H+](C)[C@@H]3CCOC3)C2)n1 ZINC001165206042 850428934 /nfs/dbraw/zinc/42/89/34/850428934.db2.gz NJEFJGZTGNTDMD-LLVKDONJSA-N 1 1 350.379 0.561 20 5 FCBDMO COCCN1CCO[C@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@H]2C1=O ZINC001169025717 850603533 /nfs/dbraw/zinc/60/35/33/850603533.db2.gz UHOOYGQUCUQQOR-FPCVCCKLSA-N 1 1 355.435 0.628 20 5 FCBDMO CCc1nnc(C[NH2+]CCCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1C ZINC001178458791 850900742 /nfs/dbraw/zinc/90/07/42/850900742.db2.gz YIJVPVRBIQLPJX-CHWSQXEVSA-N 1 1 352.439 0.809 20 5 FCBDMO CC(C)S(=O)(=O)CCC[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001200471751 853499145 /nfs/dbraw/zinc/49/91/45/853499145.db2.gz JARBCMTXPBLXNW-ZIAGYGMSSA-N 1 1 361.464 0.446 20 5 FCBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@]1(CO)COCC[NH2+]1 ZINC001307201217 866648463 /nfs/dbraw/zinc/64/84/63/866648463.db2.gz SZJHEXDSRMPMAK-CQSZACIVSA-N 1 1 359.766 0.798 20 5 FCBDMO NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])c1 ZINC001307226160 866651050 /nfs/dbraw/zinc/65/10/50/866651050.db2.gz CKXUQIPZVARDBC-OLZOCXBDSA-N 1 1 370.431 0.278 20 5 FCBDMO CC(C)([NH2+]CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC001324152802 869488251 /nfs/dbraw/zinc/48/82/51/869488251.db2.gz AAKPRHYFNVNXHJ-LLVKDONJSA-N 1 1 355.416 0.723 20 5 FCBDMO C[C@@H](c1nnc(N2CC[NH+]([C@H]3CCOC3)CC2)n1CC1CC1)[N+](=O)[O-] ZINC001348155482 872611787 /nfs/dbraw/zinc/61/17/87/872611787.db2.gz ZOBOKNBXKDZZDW-JSGCOSHPSA-N 1 1 350.423 0.937 20 5 FCBDMO O=C1NCCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1Cc1ccccc1 ZINC000292859881 214129126 /nfs/dbraw/zinc/12/91/26/214129126.db2.gz CINFBAKZOLEDFO-IAGOWNOFSA-N 1 1 373.413 0.585 20 5 FCBDMO O=C1NCCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1Cc1ccccc1 ZINC000292859881 214129128 /nfs/dbraw/zinc/12/91/28/214129128.db2.gz CINFBAKZOLEDFO-IAGOWNOFSA-N 1 1 373.413 0.585 20 5 FCBDMO CC(C)[NH+]1CC(NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000297048735 214376228 /nfs/dbraw/zinc/37/62/28/214376228.db2.gz JZZZAXVHDUTDRL-UHFFFAOYSA-N 1 1 370.431 0.424 20 5 FCBDMO CNS(=O)(=O)NC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000291167212 214016960 /nfs/dbraw/zinc/01/69/60/214016960.db2.gz MUSSFJNFGNHZSA-AWEZNQCLSA-N 1 1 358.420 0.146 20 5 FCBDMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000188076669 529973731 /nfs/dbraw/zinc/97/37/31/529973731.db2.gz CQQUHTXNMSYQNE-GOSISDBHSA-N 1 1 373.413 0.887 20 5 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Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000268506878 488425848 /nfs/dbraw/zinc/42/58/48/488425848.db2.gz YVSBQDGCPZGICN-YGRLFVJLSA-N 1 1 350.375 0.806 20 5 FCBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000268506878 488425850 /nfs/dbraw/zinc/42/58/50/488425850.db2.gz YVSBQDGCPZGICN-YGRLFVJLSA-N 1 1 350.375 0.806 20 5 FCBDMO CCS(=O)(=O)N(C)C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090554251 488460351 /nfs/dbraw/zinc/46/03/51/488460351.db2.gz XGFBYCBTKCKMMP-UHFFFAOYSA-N 1 1 372.447 0.502 20 5 FCBDMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247511522 488486784 /nfs/dbraw/zinc/48/67/84/488486784.db2.gz MNSJLAQZXSUTFB-HIFRSBDPSA-N 1 1 351.407 0.390 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CC(C)(CO)CO ZINC000269333955 488493253 /nfs/dbraw/zinc/49/32/53/488493253.db2.gz YZRYQYPGPPRMHX-NSHDSACASA-N 1 1 355.391 0.853 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CC(C)(CO)CO ZINC000269333955 488493254 /nfs/dbraw/zinc/49/32/54/488493254.db2.gz YZRYQYPGPPRMHX-NSHDSACASA-N 1 1 355.391 0.853 20 5 FCBDMO Cc1nn(CCC(=O)NCCCCN2CC[NH+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000102488332 488497745 /nfs/dbraw/zinc/49/77/45/488497745.db2.gz GVHQMOXXYNXNCU-UHFFFAOYSA-N 1 1 366.466 0.942 20 5 FCBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000102489104 488497970 /nfs/dbraw/zinc/49/79/70/488497970.db2.gz YVWWDVPSYVNYCJ-AWEZNQCLSA-N 1 1 366.466 0.916 20 5 FCBDMO C[C@H](O)C[N@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000249529093 488511567 /nfs/dbraw/zinc/51/15/67/488511567.db2.gz ZTBWNGUGMZJKBS-IJEWVQPXSA-N 1 1 353.419 0.721 20 5 FCBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262533952 488575801 /nfs/dbraw/zinc/57/58/01/488575801.db2.gz PWQVGQQGWSITEY-AWEZNQCLSA-N 1 1 362.386 0.396 20 5 FCBDMO CC[N@@H+](C)CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000263703781 488619973 /nfs/dbraw/zinc/61/99/73/488619973.db2.gz JARORDGQPFTXGK-UHFFFAOYSA-N 1 1 373.435 0.124 20 5 FCBDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273415278 488649293 /nfs/dbraw/zinc/64/92/93/488649293.db2.gz YDAGKMRRKNFLNO-OLZOCXBDSA-N 1 1 373.431 0.335 20 5 FCBDMO CC(C)[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000133046675 488657060 /nfs/dbraw/zinc/65/70/60/488657060.db2.gz VXLCBQFOURHZFC-CQSZACIVSA-N 1 1 354.411 0.447 20 5 FCBDMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000273542773 488657699 /nfs/dbraw/zinc/65/76/99/488657699.db2.gz FJNNWYVPVGKILZ-UHFFFAOYSA-N 1 1 365.415 0.980 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000133377276 488659257 /nfs/dbraw/zinc/65/92/57/488659257.db2.gz SVVHXEBVNCFWRJ-CYBMUJFWSA-N 1 1 352.439 0.490 20 5 FCBDMO C[C@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C[NH+]1CCOCC1 ZINC000134042598 488664030 /nfs/dbraw/zinc/66/40/30/488664030.db2.gz MMGSCVDGAMSRLQ-CYBMUJFWSA-N 1 1 374.401 0.874 20 5 FCBDMO CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)CCn1ccc([N+](=O)[O-])n1 ZINC000273870678 488673560 /nfs/dbraw/zinc/67/35/60/488673560.db2.gz QBOMZBXXUZKHRN-GFCCVEGCSA-N 1 1 354.411 0.274 20 5 FCBDMO CCOC(=O)c1cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC000264667728 488696372 /nfs/dbraw/zinc/69/63/72/488696372.db2.gz ITUFKURLBOOZDG-HNNXBMFYSA-N 1 1 364.402 0.747 20 5 FCBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000152586536 488720031 /nfs/dbraw/zinc/72/00/31/488720031.db2.gz MKKOAMKVWVRZAX-INIZCTEOSA-N 1 1 360.414 0.902 20 5 FCBDMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000266873005 488739742 /nfs/dbraw/zinc/73/97/42/488739742.db2.gz AKQGTVRLPDZFQM-NSHDSACASA-N 1 1 350.375 0.886 20 5 FCBDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000266873002 488739910 /nfs/dbraw/zinc/73/99/10/488739910.db2.gz AKQGTVRLPDZFQM-LLVKDONJSA-N 1 1 350.375 0.886 20 5 FCBDMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266906988 488742631 /nfs/dbraw/zinc/74/26/31/488742631.db2.gz KDBQOGLCIHWGBA-CYBMUJFWSA-N 1 1 367.406 0.525 20 5 FCBDMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266906988 488742632 /nfs/dbraw/zinc/74/26/32/488742632.db2.gz KDBQOGLCIHWGBA-CYBMUJFWSA-N 1 1 367.406 0.525 20 5 FCBDMO Cn1cc[nH+]c1N1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000266969604 488748979 /nfs/dbraw/zinc/74/89/79/488748979.db2.gz ZNHHLQZPBVTJKF-OAHLLOKOSA-N 1 1 361.402 0.890 20 5 FCBDMO COc1cc(OCC(=O)N2CC[NH+](C[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000275097910 488761623 /nfs/dbraw/zinc/76/16/23/488761623.db2.gz BIKGQNKXGLVUPV-LBPRGKRZSA-N 1 1 353.375 0.507 20 5 FCBDMO CCN1CCN(c2nc(N3CC[NH+](CC)CC3)nc(C)c2[N+](=O)[O-])CC1 ZINC000159718608 488787028 /nfs/dbraw/zinc/78/70/28/488787028.db2.gz QUMCVMWOTXELBX-UHFFFAOYSA-N 1 1 363.466 0.977 20 5 FCBDMO O=C([C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O)N1CCOCC1 ZINC000159797845 488787262 /nfs/dbraw/zinc/78/72/62/488787262.db2.gz SMQJNCXKEBTGQP-OAHLLOKOSA-N 1 1 364.402 0.470 20 5 FCBDMO O=C([C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O)N1CCOCC1 ZINC000159797845 488787266 /nfs/dbraw/zinc/78/72/66/488787266.db2.gz SMQJNCXKEBTGQP-OAHLLOKOSA-N 1 1 364.402 0.470 20 5 FCBDMO COCC[N@H+]1CC[C@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000277978090 488795495 /nfs/dbraw/zinc/79/54/95/488795495.db2.gz FQLYXMCYJDMMQG-NSHDSACASA-N 1 1 362.390 0.991 20 5 FCBDMO C[C@H]1C[C@@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000161957226 488799334 /nfs/dbraw/zinc/79/93/34/488799334.db2.gz UBMNOONBIFJAQG-STQMWFEESA-N 1 1 356.448 0.945 20 5 FCBDMO C[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000161957226 488799339 /nfs/dbraw/zinc/79/93/39/488799339.db2.gz UBMNOONBIFJAQG-STQMWFEESA-N 1 1 356.448 0.945 20 5 FCBDMO C[N@@H+](C[C@@H](O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000289374100 489062253 /nfs/dbraw/zinc/06/22/53/489062253.db2.gz OTOJJANHKOHRIZ-QGZVFWFLSA-N 1 1 362.430 0.808 20 5 FCBDMO O=C1N[C@H]2CC[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]2CO1 ZINC000281513900 489082126 /nfs/dbraw/zinc/08/21/26/489082126.db2.gz YWSDHEJFQCVRSJ-UPJWGTAASA-N 1 1 351.359 0.765 20 5 FCBDMO NS(=O)(=O)c1ccc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000365588884 489091217 /nfs/dbraw/zinc/09/12/17/489091217.db2.gz NDQLPONVOAAXCJ-GHMZBOCLSA-N 1 1 356.404 0.517 20 5 FCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@@H](C)C1 ZINC000281742267 489102376 /nfs/dbraw/zinc/10/23/76/489102376.db2.gz YOWIVIDYCPDYCN-WDEREUQCSA-N 1 1 351.359 0.851 20 5 FCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@@H](C)C1 ZINC000281742267 489102378 /nfs/dbraw/zinc/10/23/78/489102378.db2.gz YOWIVIDYCPDYCN-WDEREUQCSA-N 1 1 351.359 0.851 20 5 FCBDMO Cc1nn(C)c(C(=O)NC(C)(C)CCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000331052034 489169990 /nfs/dbraw/zinc/16/99/90/489169990.db2.gz YPJHJRQHGNNTFT-UHFFFAOYSA-N 1 1 352.439 0.783 20 5 FCBDMO CCC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)N(C)C1=O ZINC000282621112 489179145 /nfs/dbraw/zinc/17/91/45/489179145.db2.gz ZVAZCJNAQBJYAQ-GXTWGEPZSA-N 1 1 365.386 0.804 20 5 FCBDMO COc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000295314986 489192016 /nfs/dbraw/zinc/19/20/16/489192016.db2.gz PFJHJUOJYUSOSI-LBPRGKRZSA-N 1 1 373.431 0.729 20 5 FCBDMO COc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000295314986 489192020 /nfs/dbraw/zinc/19/20/20/489192020.db2.gz PFJHJUOJYUSOSI-LBPRGKRZSA-N 1 1 373.431 0.729 20 5 FCBDMO O=C(Nc1ccccn1)[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000369831816 489280022 /nfs/dbraw/zinc/28/00/22/489280022.db2.gz WISZDYJCRXCZGR-HIFRSBDPSA-N 1 1 374.401 0.898 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[NH+](CCO)CC1 ZINC000298646221 489348578 /nfs/dbraw/zinc/34/85/78/489348578.db2.gz VSJZGNQRJSSBJK-LBPRGKRZSA-N 1 1 352.391 0.540 20 5 FCBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000362218327 489379355 /nfs/dbraw/zinc/37/93/55/489379355.db2.gz KUNQLABOPCLSEM-CVEARBPZSA-N 1 1 351.403 0.741 20 5 FCBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](CC(=O)N(C)C)CC2)n1 ZINC000286418925 489389615 /nfs/dbraw/zinc/38/96/15/489389615.db2.gz BDNQMHWCVBDJTE-UHFFFAOYSA-N 1 1 365.390 0.741 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370843751 489410777 /nfs/dbraw/zinc/41/07/77/489410777.db2.gz SIBUEBOPWXNHNI-HNNXBMFYSA-N 1 1 364.450 0.727 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370843751 489410779 /nfs/dbraw/zinc/41/07/79/489410779.db2.gz SIBUEBOPWXNHNI-HNNXBMFYSA-N 1 1 364.450 0.727 20 5 FCBDMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000363219492 489440077 /nfs/dbraw/zinc/44/00/77/489440077.db2.gz SJIJCTFPMDSUOC-CQSZACIVSA-N 1 1 366.393 0.870 20 5 FCBDMO COC(=O)c1cc(C)nc(NCCC[N@H+]2CCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000287345367 489479203 /nfs/dbraw/zinc/47/92/03/489479203.db2.gz NCYZRQCHMMBJRS-LBPRGKRZSA-N 1 1 365.390 0.837 20 5 FCBDMO CC(C)[N@H+]1CCO[C@H](CN2CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)C1 ZINC000371825506 489514314 /nfs/dbraw/zinc/51/43/14/489514314.db2.gz VILOZMHBHWNOSY-OAHLLOKOSA-N 1 1 366.466 0.555 20 5 FCBDMO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000372246907 489563581 /nfs/dbraw/zinc/56/35/81/489563581.db2.gz IBWGUPVURCYLBF-CYBMUJFWSA-N 1 1 364.402 0.437 20 5 FCBDMO NS(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000373254199 489683337 /nfs/dbraw/zinc/68/33/37/489683337.db2.gz XSPURCCWSRWHCO-RYUDHWBXSA-N 1 1 359.404 0.087 20 5 FCBDMO NS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000373254199 489683340 /nfs/dbraw/zinc/68/33/40/489683340.db2.gz XSPURCCWSRWHCO-RYUDHWBXSA-N 1 1 359.404 0.087 20 5 FCBDMO CC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)C1 ZINC000469063472 489687284 /nfs/dbraw/zinc/68/72/84/489687284.db2.gz QWDWHBHUXGVFAW-SNVBAGLBSA-N 1 1 357.388 0.754 20 5 FCBDMO CC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)C1 ZINC000469063472 489687287 /nfs/dbraw/zinc/68/72/87/489687287.db2.gz QWDWHBHUXGVFAW-SNVBAGLBSA-N 1 1 357.388 0.754 20 5 FCBDMO [NH3+]CC(F)(F)CNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418509647 489703176 /nfs/dbraw/zinc/70/31/76/489703176.db2.gz GNFBHURZFGJECX-UHFFFAOYSA-N 1 1 371.344 0.656 20 5 FCBDMO Cc1c(C(=O)N2CC[N@H+](C)CC[C@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000469506286 489709635 /nfs/dbraw/zinc/70/96/35/489709635.db2.gz FEUSCTVCCOHDLL-SNVBAGLBSA-N 1 1 370.431 0.717 20 5 FCBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000475569002 489836840 /nfs/dbraw/zinc/83/68/40/489836840.db2.gz HSMRXVUIUXEARG-GFCCVEGCSA-N 1 1 351.359 0.844 20 5 FCBDMO Nc1c(C(=O)NCCCCN2CC[NH+](CCO)CC2)cccc1[N+](=O)[O-] ZINC000432543213 489847526 /nfs/dbraw/zinc/84/75/26/489847526.db2.gz SLFMDLDYKGZOHW-UHFFFAOYSA-N 1 1 365.434 0.297 20 5 FCBDMO CS[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1N1CCCC1 ZINC000460360489 489865010 /nfs/dbraw/zinc/86/50/10/489865010.db2.gz DMMCLZXTRANRLN-QLFBSQMISA-N 1 1 355.464 0.664 20 5 FCBDMO CS[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1N1CCCC1 ZINC000460360489 489865012 /nfs/dbraw/zinc/86/50/12/489865012.db2.gz DMMCLZXTRANRLN-QLFBSQMISA-N 1 1 355.464 0.664 20 5 FCBDMO COc1ccc(NC(=O)[C@@H](C)N2CC[NH+](C[C@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000494466610 489892743 /nfs/dbraw/zinc/89/27/43/489892743.db2.gz ZPVMVFKRYBBWGD-QWHCGFSZSA-N 1 1 366.418 0.929 20 5 FCBDMO CN(C)CC[N@@H+](C)CCCN(C)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000564063624 491286395 /nfs/dbraw/zinc/28/63/95/491286395.db2.gz QHNMAIKZJUBTFZ-UHFFFAOYSA-N 1 1 373.479 0.562 20 5 FCBDMO CN(CCCN(C)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])CC[NH+](C)C ZINC000564063624 491286397 /nfs/dbraw/zinc/28/63/97/491286397.db2.gz QHNMAIKZJUBTFZ-UHFFFAOYSA-N 1 1 373.479 0.562 20 5 FCBDMO COC(=O)c1ccc(S(=O)(=O)NCC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000420412795 489973661 /nfs/dbraw/zinc/97/36/61/489973661.db2.gz CGAFYYDJWOWKRD-UHFFFAOYSA-N 1 1 353.303 0.254 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000437708908 490027252 /nfs/dbraw/zinc/02/72/52/490027252.db2.gz ZEIVKLCUTCHMPV-INIZCTEOSA-N 1 1 368.390 0.808 20 5 FCBDMO CSC[C@@H](O)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420972113 490036948 /nfs/dbraw/zinc/03/69/48/490036948.db2.gz JPKQCPWXKHQVAQ-LBPRGKRZSA-N 1 1 363.461 0.529 20 5 FCBDMO COC(=O)C[C@@]1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCOC1 ZINC000464611923 490062300 /nfs/dbraw/zinc/06/23/00/490062300.db2.gz XBRBVRWNBIMYLV-INIZCTEOSA-N 1 1 367.358 0.854 20 5 FCBDMO COc1cccc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000444134481 490079902 /nfs/dbraw/zinc/07/99/02/490079902.db2.gz WBOZMFHGMKJKRV-GFCCVEGCSA-N 1 1 364.402 0.921 20 5 FCBDMO COCC[N@H+]1CC[C@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000465130605 490084897 /nfs/dbraw/zinc/08/48/97/490084897.db2.gz WIPOVKMYAGSVJG-ZDUSSCGKSA-N 1 1 365.386 0.745 20 5 FCBDMO CCCNC(=O)C[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000520100757 490112005 /nfs/dbraw/zinc/11/20/05/490112005.db2.gz PHMRLGZGIDACHL-UHFFFAOYSA-N 1 1 366.422 0.207 20 5 FCBDMO CCn1cc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c([N+](=O)[O-])n1 ZINC000407990986 490196688 /nfs/dbraw/zinc/19/66/88/490196688.db2.gz RKJBOCKGOXQBKO-NWDGAFQWSA-N 1 1 357.436 0.916 20 5 FCBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000564490622 491310271 /nfs/dbraw/zinc/31/02/71/491310271.db2.gz JADCOYWGEQJTAU-BXUZGUMPSA-N 1 1 351.359 0.568 20 5 FCBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000498722526 490332615 /nfs/dbraw/zinc/33/26/15/490332615.db2.gz OTGXQIRHQKDTKT-GFCCVEGCSA-N 1 1 362.386 0.873 20 5 FCBDMO COCC[N@H+]1CC[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000522974607 490424352 /nfs/dbraw/zinc/42/43/52/490424352.db2.gz WDJFSVWIECQAHK-ZDUSSCGKSA-N 1 1 352.391 0.994 20 5 FCBDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000535041760 490442757 /nfs/dbraw/zinc/44/27/57/490442757.db2.gz FEVPALYVYYBMLL-UHFFFAOYSA-N 1 1 372.491 0.892 20 5 FCBDMO Cc1cc(NC(=O)C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000411444081 490464764 /nfs/dbraw/zinc/46/47/64/490464764.db2.gz ZJAQYDGIYWVCAX-CYBMUJFWSA-N 1 1 364.402 0.757 20 5 FCBDMO C[C@@H]1CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C[C@H](C)[N@@H+]1CCO ZINC000450795132 490489221 /nfs/dbraw/zinc/48/92/21/490489221.db2.gz SQXHFJJCJYSEMX-PHIMTYICSA-N 1 1 358.420 0.134 20 5 FCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCCS2(=O)=O)cc1 ZINC000564852817 491331284 /nfs/dbraw/zinc/33/12/84/491331284.db2.gz RHPYOLCLBAVGJJ-CYBMUJFWSA-N 1 1 362.429 0.535 20 5 FCBDMO CNc1nc(C(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000413894507 490505744 /nfs/dbraw/zinc/50/57/44/490505744.db2.gz ONCJKIQRCUZJML-JTQLQIEISA-N 1 1 351.363 0.208 20 5 FCBDMO CNc1nc(C(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000413894507 490505747 /nfs/dbraw/zinc/50/57/47/490505747.db2.gz ONCJKIQRCUZJML-JTQLQIEISA-N 1 1 351.363 0.208 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC[N@H+](C)C1 ZINC000413899363 490508129 /nfs/dbraw/zinc/50/81/29/490508129.db2.gz CTGSTPMASYIYFI-GFCCVEGCSA-N 1 1 351.359 0.780 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC[N@@H+](C)C1 ZINC000413899363 490508131 /nfs/dbraw/zinc/50/81/31/490508131.db2.gz CTGSTPMASYIYFI-GFCCVEGCSA-N 1 1 351.359 0.780 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413926563 490523225 /nfs/dbraw/zinc/52/32/25/490523225.db2.gz WLIBCIIHXMSTGN-ZDUSSCGKSA-N 1 1 364.402 0.960 20 5 FCBDMO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423041643 490529044 /nfs/dbraw/zinc/52/90/44/490529044.db2.gz XLSRKGHDEYBKOU-ZIAGYGMSSA-N 1 1 371.415 0.252 20 5 FCBDMO C[C@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC[N@@H+]1CC(C)(C)O ZINC000548693418 490530958 /nfs/dbraw/zinc/53/09/58/490530958.db2.gz ZGSUJFCAXBVSEI-NSHDSACASA-N 1 1 372.447 0.524 20 5 FCBDMO C[C@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC[N@H+]1CC(C)(C)O ZINC000548693418 490530960 /nfs/dbraw/zinc/53/09/60/490530960.db2.gz ZGSUJFCAXBVSEI-NSHDSACASA-N 1 1 372.447 0.524 20 5 FCBDMO C[C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CC[NH+](C)CC1 ZINC000524572341 490544869 /nfs/dbraw/zinc/54/48/69/490544869.db2.gz UVKPRKODKFKSMB-UONOGXRCSA-N 1 1 362.434 0.639 20 5 FCBDMO C[C@H]1CC[N@@H+](CCNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000524775654 490559266 /nfs/dbraw/zinc/55/92/66/490559266.db2.gz LUAWSQGJQCLQHS-ZDUSSCGKSA-N 1 1 363.418 0.852 20 5 FCBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000501130378 490581787 /nfs/dbraw/zinc/58/17/87/490581787.db2.gz VLSOZFMKYATSAZ-LLVKDONJSA-N 1 1 352.395 0.001 20 5 FCBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000536597662 490596145 /nfs/dbraw/zinc/59/61/45/490596145.db2.gz ACMVPPSFGBFFED-QWRGUYRKSA-N 1 1 360.370 0.742 20 5 FCBDMO COC(=O)c1cc(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000486869129 490677529 /nfs/dbraw/zinc/67/75/29/490677529.db2.gz PDCFITHLIOLCBM-MRXNPFEDSA-N 1 1 366.374 0.878 20 5 FCBDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000487159084 490698789 /nfs/dbraw/zinc/69/87/89/490698789.db2.gz WKAMQUVQKRGTKG-SMDDNHRTSA-N 1 1 355.416 0.682 20 5 FCBDMO C[C@@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1C ZINC000513267488 490718659 /nfs/dbraw/zinc/71/86/59/490718659.db2.gz MEHYBEIOAAULSN-BETUJISGSA-N 1 1 363.418 0.945 20 5 FCBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000516524824 490867296 /nfs/dbraw/zinc/86/72/96/490867296.db2.gz NGFIXFDCFBKFCK-UHFFFAOYSA-N 1 1 360.374 0.335 20 5 FCBDMO COc1ccc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000542065899 490883812 /nfs/dbraw/zinc/88/38/12/490883812.db2.gz SKJDXVLYDDVGJK-LLVKDONJSA-N 1 1 350.375 1.000 20 5 FCBDMO CCOc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])cc1OC ZINC000517641546 490915485 /nfs/dbraw/zinc/91/54/85/490915485.db2.gz SXNCCIWDMMVEFY-GFCCVEGCSA-N 1 1 366.418 0.978 20 5 FCBDMO CCOc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])cc1OC ZINC000517641546 490915488 /nfs/dbraw/zinc/91/54/88/490915488.db2.gz SXNCCIWDMMVEFY-GFCCVEGCSA-N 1 1 366.418 0.978 20 5 FCBDMO C[C@@](O)(CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)C[NH+]1CCOCC1 ZINC000530959347 490933444 /nfs/dbraw/zinc/93/34/44/490933444.db2.gz BYMJZDOPWMKYET-QGZVFWFLSA-N 1 1 362.386 0.889 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)CNc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)c1 ZINC000569716664 491184963 /nfs/dbraw/zinc/18/49/63/491184963.db2.gz RSXJFGOPWCUWAN-SJORKVTESA-N 1 1 361.402 0.831 20 5 FCBDMO CNc1nccc(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000557633414 491388465 /nfs/dbraw/zinc/38/84/65/491388465.db2.gz IYZXGMPVZAKZJB-GFCCVEGCSA-N 1 1 350.423 0.645 20 5 FCBDMO Cc1c(CNC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)cccc1[N+](=O)[O-] ZINC000558060245 491410864 /nfs/dbraw/zinc/41/08/64/491410864.db2.gz HJLRCBVPDWRPJU-UHFFFAOYSA-N 1 1 374.401 0.635 20 5 FCBDMO CCN1CCN(C[C@H](C)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000567043359 491482374 /nfs/dbraw/zinc/48/23/74/491482374.db2.gz RSCFWAPVMLWSKO-GDBMZVCRSA-N 1 1 354.455 0.015 20 5 FCBDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000574593134 491507456 /nfs/dbraw/zinc/50/74/56/491507456.db2.gz NINMZBNSASOJAX-AWEZNQCLSA-N 1 1 364.402 0.356 20 5 FCBDMO CC[N@@H+](C)C[C@H](O)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000568413126 491575469 /nfs/dbraw/zinc/57/54/69/491575469.db2.gz VKCAPKBDGBHNMV-BBRMVZONSA-N 1 1 350.375 0.674 20 5 FCBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCO)CC2)c(F)c1N1CCOCC1 ZINC000577917054 491663214 /nfs/dbraw/zinc/66/32/14/491663214.db2.gz 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COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000592388772 491836357 /nfs/dbraw/zinc/83/63/57/491836357.db2.gz NKYPGCDYLYMGMX-NSHDSACASA-N 1 1 361.351 0.260 20 5 FCBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000594843816 491865230 /nfs/dbraw/zinc/86/52/30/491865230.db2.gz RUPMHAUQVWICHK-UHFFFAOYSA-N 1 1 372.447 0.544 20 5 FCBDMO Cc1cc(C(=O)NCC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000611851665 491878236 /nfs/dbraw/zinc/87/82/36/491878236.db2.gz DWRLFDGEKWUWJY-DOMZBBRYSA-N 1 1 364.402 0.468 20 5 FCBDMO Cc1cc(C(=O)NCC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000611851665 491878238 /nfs/dbraw/zinc/87/82/38/491878238.db2.gz DWRLFDGEKWUWJY-DOMZBBRYSA-N 1 1 364.402 0.468 20 5 FCBDMO COc1ccc(C(=O)NCC(=O)N2CC[N@@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000611856775 491878496 /nfs/dbraw/zinc/87/84/96/491878496.db2.gz CGVRLXSBDWLXQA-UHFFFAOYSA-N 1 1 364.402 0.886 20 5 FCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](N2CCOCC2)CC1 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O=C(NC[C@H]1C[C@H]([NH2+]Cc2cnn(-c3ccccc3)n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086364107 1198328577 /nfs/dbraw/zinc/32/85/77/1198328577.db2.gz UGHSECDYUQLYGN-BQGCOEIASA-N 1 1 370.413 0.917 20 5 FCBDMO COCCNC(=O)[C@H]1Cn2nccc2C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169021412 1199044224 /nfs/dbraw/zinc/04/42/24/1199044224.db2.gz NRXPOJFFOPDWJH-RBSFLKMASA-N 1 1 365.434 0.523 20 5 FCBDMO COCCNC(=O)[C@H]1Cn2nccc2C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169021412 1199044233 /nfs/dbraw/zinc/04/42/33/1199044233.db2.gz NRXPOJFFOPDWJH-RBSFLKMASA-N 1 1 365.434 0.523 20 5 FCBDMO COCCNC(=O)[C@H]1Cn2nccc2C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169021409 1199045038 /nfs/dbraw/zinc/04/50/38/1199045038.db2.gz NRXPOJFFOPDWJH-KFWWJZLASA-N 1 1 365.434 0.523 20 5 FCBDMO COCCNC(=O)[C@H]1Cn2nccc2C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169021409 1199045047 /nfs/dbraw/zinc/04/50/47/1199045047.db2.gz NRXPOJFFOPDWJH-KFWWJZLASA-N 1 1 365.434 0.523 20 5 FCBDMO 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C[NH+]1CCC(C(=O)N2CC3(C2)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C3)CC1 ZINC001010718965 1213811646 /nfs/dbraw/zinc/81/16/46/1213811646.db2.gz DKWBRLACGIITQX-HUUCEWRRSA-N 1 1 364.446 0.444 20 5 FCBDMO C[NH+]1CCC(CC(=O)N2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001017446271 1214096281 /nfs/dbraw/zinc/09/62/81/1214096281.db2.gz OHRMOEMKWDSXST-HZPDHXFCSA-N 1 1 364.446 0.658 20 5 FCBDMO O=C(N[C@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000963967833 1214880375 /nfs/dbraw/zinc/88/03/75/1214880375.db2.gz NDCCOMPXFRUIGK-KBUPBQIOSA-N 1 1 364.446 0.539 20 5 FCBDMO O=C(C[NH+]1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1)N1CCCC1 ZINC001000151313 1216012869 /nfs/dbraw/zinc/01/28/69/1216012869.db2.gz SXLRCYLMZAULBL-HUUCEWRRSA-N 1 1 364.446 0.635 20 5 FCBDMO O=C(C[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)N1CCCCCC1 ZINC001001398343 1216188582 /nfs/dbraw/zinc/18/85/82/1216188582.db2.gz CCQRYZVJTAZKMA-HZPDHXFCSA-N 1 1 366.462 0.882 20 5 FCBDMO Cn1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1=O ZINC001050326072 1216307087 /nfs/dbraw/zinc/30/70/87/1216307087.db2.gz QPVWVRVCNSMXMX-DTZQCDIJSA-N 1 1 362.430 0.815 20 5 FCBDMO CCn1cc(C[NH2+]C[C@H]2CC[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC001048608068 1218295156 /nfs/dbraw/zinc/29/51/56/1218295156.db2.gz RSMNFEKCCFMLRN-RRCSTGOVSA-N 1 1 364.450 0.975 20 5 FCBDMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000826746711 1218904776 /nfs/dbraw/zinc/90/47/76/1218904776.db2.gz JVAKOQCUGXUHID-LRDDRELGSA-N 1 1 365.386 0.724 20 5 FCBDMO C[NH+](C)CCC(=O)N(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccccc1 ZINC001055101703 1218998420 /nfs/dbraw/zinc/99/84/20/1218998420.db2.gz UHXLQPPJWAZIDW-HZPDHXFCSA-N 1 1 362.430 0.748 20 5 FCBDMO CC[N@@H+](C)C(C)(C)C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001070114315 1219188539 /nfs/dbraw/zinc/18/85/39/1219188539.db2.gz KFAIDULHRAMVBJ-CHWSQXEVSA-N 1 1 370.450 0.164 20 5 FCBDMO CC[N@H+](C)C(C)(C)C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070114315 1219188542 /nfs/dbraw/zinc/18/85/42/1219188542.db2.gz KFAIDULHRAMVBJ-CHWSQXEVSA-N 1 1 370.450 0.164 20 5 FCBDMO CC[N@@H+](C)C(C)(C)C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070114315 1219188544 /nfs/dbraw/zinc/18/85/44/1219188544.db2.gz KFAIDULHRAMVBJ-CHWSQXEVSA-N 1 1 370.450 0.164 20 5 FCBDMO CCc1nocc1C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001098365052 1219767268 /nfs/dbraw/zinc/76/72/68/1219767268.db2.gz IOYBHVOSBMABBQ-GDBMZVCRSA-N 1 1 366.418 0.688 20 5 FCBDMO CCc1nocc1C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098365052 1219767273 /nfs/dbraw/zinc/76/72/73/1219767273.db2.gz IOYBHVOSBMABBQ-GDBMZVCRSA-N 1 1 366.418 0.688 20 5 FCBDMO CCc1nocc1C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098365052 1219767279 /nfs/dbraw/zinc/76/72/79/1219767279.db2.gz IOYBHVOSBMABBQ-GDBMZVCRSA-N 1 1 366.418 0.688 20 5 FCBDMO Cn1nncc1C[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001101540771 1220378195 /nfs/dbraw/zinc/37/81/95/1220378195.db2.gz SNQXBUMNKUSMKC-HUUCEWRRSA-N 1 1 364.450 0.835 20 5 FCBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001117160096 1221485450 /nfs/dbraw/zinc/48/54/50/1221485450.db2.gz WZPGSINKPCAFDK-CYBMUJFWSA-N 1 1 366.422 0.144 20 5 FCBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2nc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829850485 1222448893 /nfs/dbraw/zinc/44/88/93/1222448893.db2.gz RORJQAFVRFDNIZ-NSHDSACASA-N 1 1 370.366 0.173 20 5 FCBDMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000833565484 1222556249 /nfs/dbraw/zinc/55/62/49/1222556249.db2.gz HYYRBROBJBTDSQ-CQSZACIVSA-N 1 1 361.402 0.908 20 5 FCBDMO COC(=O)[C@]1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000840392174 1222787004 /nfs/dbraw/zinc/78/70/04/1222787004.db2.gz UTYQTUMJHXZWMT-RKVPGOIHSA-N 1 1 361.398 0.976 20 5 FCBDMO COCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](CC2CCOCC2)CC1 ZINC001162270908 1223212066 /nfs/dbraw/zinc/21/20/66/1223212066.db2.gz UVHWWVGXVGDELH-HZPDHXFCSA-N 1 1 369.462 0.923 20 5 FCBDMO CCc1cc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001162445127 1223216516 /nfs/dbraw/zinc/21/65/16/1223216516.db2.gz FDFWXDFWUWSHAC-YQQAZPJKSA-N 1 1 370.417 0.111 20 5 FCBDMO COC(=O)c1ccnc(N2CC([C@H]([NH3+])C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC001163119229 1223226879 /nfs/dbraw/zinc/22/68/79/1223226879.db2.gz OWSMGKVIRZBJQK-NSHDSACASA-N 1 1 366.374 0.882 20 5 FCBDMO COc1nc(N2CC([C@H]([NH3+])C(=O)OC(C)(C)C)C2)nc(OC)c1[N+](=O)[O-] ZINC001163118853 1223226892 /nfs/dbraw/zinc/22/68/92/1223226892.db2.gz FBPWDYGTXZMCJJ-VIFPVBQESA-N 1 1 369.378 0.507 20 5 FCBDMO O=C(NCCC1(C[NH2+]CCCCCn2cncn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164494383 1223239230 /nfs/dbraw/zinc/23/92/30/1223239230.db2.gz IAHUXCGTGJARFN-HUUCEWRRSA-N 1 1 364.450 0.990 20 5 FCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000775503051 1245307905 /nfs/dbraw/zinc/30/79/05/1245307905.db2.gz BOZQMHIKSFBSGV-LBPRGKRZSA-N 1 1 367.406 0.622 20 5 FCBDMO COC(=O)CC[N@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000775503051 1245307909 /nfs/dbraw/zinc/30/79/09/1245307909.db2.gz BOZQMHIKSFBSGV-LBPRGKRZSA-N 1 1 367.406 0.622 20 5 FCBDMO NC(=O)C[NH+]1CCC(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000916159921 1245532787 /nfs/dbraw/zinc/53/27/87/1245532787.db2.gz QNZMBNXVSNHOOJ-UHFFFAOYSA-N 1 1 372.385 0.460 20 5 FCBDMO O=C([C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCNCC1 ZINC000923283768 1245704862 /nfs/dbraw/zinc/70/48/62/1245704862.db2.gz YCVKKXNNEBRXSK-WBVHZDCISA-N 1 1 362.430 0.772 20 5 FCBDMO O=C([C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCNCC1 ZINC000923283768 1245704866 /nfs/dbraw/zinc/70/48/66/1245704866.db2.gz YCVKKXNNEBRXSK-WBVHZDCISA-N 1 1 362.430 0.772 20 5 FCBDMO C[C@H]1C[C@@H](NC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC001327804623 1265429094 /nfs/dbraw/zinc/42/90/94/1265429094.db2.gz VUWJRYMIBRHFCA-GXTWGEPZSA-N 1 1 360.414 0.995 20 5 FCBDMO O=C(NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccc2c[nH+]cn2c1 ZINC000946703426 1247961094 /nfs/dbraw/zinc/96/10/94/1247961094.db2.gz ZCEKKBICCZXOTK-HUUCEWRRSA-N 1 1 357.370 0.720 20 5 FCBDMO Cc1nnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1C1CC1 ZINC000997770841 1251699171 /nfs/dbraw/zinc/69/91/71/1251699171.db2.gz ZHFRRBMIUJGJKT-HUUCEWRRSA-N 1 1 362.434 0.915 20 5 FCBDMO C[NH+](C)Cc1cccc(C(=O)NCC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001002473246 1252568861 /nfs/dbraw/zinc/56/88/61/1252568861.db2.gz JYGQWTABGPXHPS-HZPDHXFCSA-N 1 1 360.414 0.602 20 5 FCBDMO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC001329641417 1265796859 /nfs/dbraw/zinc/79/68/59/1265796859.db2.gz JKALLZQQGTYFNJ-ZOWXZIJZSA-N 1 1 364.402 0.607 20 5 FCBDMO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC001329641417 1265796866 /nfs/dbraw/zinc/79/68/66/1265796866.db2.gz JKALLZQQGTYFNJ-ZOWXZIJZSA-N 1 1 364.402 0.607 20 5 FCBDMO Cc1nc(C)n(CC[NH+]2CC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC3)n1 ZINC001035704242 1254057445 /nfs/dbraw/zinc/05/74/45/1254057445.db2.gz HLLVCBPXMKQXDP-HUUCEWRRSA-N 1 1 362.434 0.485 20 5 FCBDMO CSc1ccc(C(=O)NCC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001520646540 1265955822 /nfs/dbraw/zinc/95/58/22/1265955822.db2.gz CNANPLODBISJCJ-UHFFFAOYSA-N 1 1 352.416 0.821 20 5 FCBDMO CNC(=O)CN1CCO[C@H]2C[N@@H+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001254556932 1259889700 /nfs/dbraw/zinc/88/97/00/1259889700.db2.gz NKOIYWKSAZNYEY-XYPHTWIQSA-N 1 1 362.430 0.657 20 5 FCBDMO CNC(=O)CN1CCO[C@H]2C[N@H+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001254556932 1259889708 /nfs/dbraw/zinc/88/97/08/1259889708.db2.gz NKOIYWKSAZNYEY-XYPHTWIQSA-N 1 1 362.430 0.657 20 5 FCBDMO C[N@@H+](CCO)CCNC(=O)CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O ZINC001303625690 1263110390 /nfs/dbraw/zinc/11/03/90/1263110390.db2.gz BEGIQBACZZTGTK-UHFFFAOYSA-N 1 1 372.328 0.074 20 5 FCBDMO Cc1c(NC(=O)CC[N@@H+]2CCC(=O)NCC23COC3)cccc1[N+](=O)[O-] ZINC001308035081 1263208805 /nfs/dbraw/zinc/20/88/05/1263208805.db2.gz HSRWJVWJUZXYJV-UHFFFAOYSA-N 1 1 362.386 0.823 20 5 FCBDMO Cc1c(NC(=O)CC[N@H+]2CCC(=O)NCC23COC3)cccc1[N+](=O)[O-] ZINC001308035081 1263208809 /nfs/dbraw/zinc/20/88/09/1263208809.db2.gz HSRWJVWJUZXYJV-UHFFFAOYSA-N 1 1 362.386 0.823 20 5 FCBDMO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)C[NH+]1CCOCC1 ZINC001311240576 1263252724 /nfs/dbraw/zinc/25/27/24/1263252724.db2.gz DZGYMCKUPMNXPP-LLVKDONJSA-N 1 1 365.390 0.784 20 5 FCBDMO Cc1[nH+]ccn1CCNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001322033820 1264134748 /nfs/dbraw/zinc/13/47/48/1264134748.db2.gz NMRMXENJIVBPHN-UHFFFAOYSA-N 1 1 361.358 0.411 20 5 FCBDMO C[C@@H](NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC001323429487 1264428674 /nfs/dbraw/zinc/42/86/74/1264428674.db2.gz WJMBLKXXXNGASJ-DOMZBBRYSA-N 1 1 364.402 0.089 20 5 FCBDMO C[C@@H](NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC001323429487 1264428678 /nfs/dbraw/zinc/42/86/78/1264428678.db2.gz WJMBLKXXXNGASJ-DOMZBBRYSA-N 1 1 364.402 0.089 20 5 FCBDMO O=C(C(=O)N1CC[NH+](CC2CC2)CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001325851703 1265008744 /nfs/dbraw/zinc/00/87/44/1265008744.db2.gz ADSHYTAGBSOCGN-UHFFFAOYSA-N 1 1 358.398 0.991 20 5 FCBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC001326126875 1265061291 /nfs/dbraw/zinc/06/12/91/1265061291.db2.gz BOFILJNLNMRJFU-HNNXBMFYSA-N 1 1 372.381 0.962 20 5 FCBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC001326382908 1265101660 /nfs/dbraw/zinc/10/16/60/1265101660.db2.gz CTHNDFPUPWQQBT-CYBMUJFWSA-N 1 1 361.402 0.673 20 5 FCBDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC001326491117 1265121799 /nfs/dbraw/zinc/12/17/99/1265121799.db2.gz JKTGRDQYBKEHCW-CQSZACIVSA-N 1 1 364.402 0.090 20 5 FCBDMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C2)CC1 ZINC001334866622 1267208201 /nfs/dbraw/zinc/20/82/01/1267208201.db2.gz DVTISLXBNFRFOP-CYBMUJFWSA-N 1 1 363.418 0.041 20 5 FCBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C2)CC1 ZINC001334866622 1267208212 /nfs/dbraw/zinc/20/82/12/1267208212.db2.gz DVTISLXBNFRFOP-CYBMUJFWSA-N 1 1 363.418 0.041 20 5 FCBDMO C[C@H](c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@@H]1CCOC1)[N+](=O)[O-] ZINC001344206870 1270112358 /nfs/dbraw/zinc/11/23/58/1270112358.db2.gz XDGILWLTBSLJCA-HZSPNIEDSA-N 1 1 366.422 0.173 20 5 FCBDMO C[C@H](c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@@H]1CCOC1)[N+](=O)[O-] ZINC001344206870 1270112363 /nfs/dbraw/zinc/11/23/63/1270112363.db2.gz XDGILWLTBSLJCA-HZSPNIEDSA-N 1 1 366.422 0.173 20 5 FCBDMO CN(C)C(=O)C[N@@H+]1CCCN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 ZINC001578959877 1276504249 /nfs/dbraw/zinc/50/42/49/1276504249.db2.gz XQVQTNKRGAEDRA-UHFFFAOYSA-N 1 1 374.405 0.375 20 5 FCBDMO CN(C)C(=O)C[N@H+]1CCCN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 ZINC001578959877 1276504254 /nfs/dbraw/zinc/50/42/54/1276504254.db2.gz XQVQTNKRGAEDRA-UHFFFAOYSA-N 1 1 374.405 0.375 20 5 FCBDMO COCC[N@H+]1[C@H](C)CN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1C ZINC001591430324 1284575692 /nfs/dbraw/zinc/57/56/92/1284575692.db2.gz KVVSASIVGUVHII-PHIMTYICSA-N 1 1 362.394 0.715 20 5 FCBDMO COCC[N@@H+]1[C@H](C)CN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1C ZINC001591430324 1284575699 /nfs/dbraw/zinc/57/56/99/1284575699.db2.gz KVVSASIVGUVHII-PHIMTYICSA-N 1 1 362.394 0.715 20 5 FCBDMO CN(C1CC[NH2+]CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001609271376 1289035691 /nfs/dbraw/zinc/03/56/91/1289035691.db2.gz MZEMWJFMJRPLIG-UHFFFAOYSA-N 1 1 367.391 0.147 20 5 FCBDMO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001593407746 1286130928 /nfs/dbraw/zinc/13/09/28/1286130928.db2.gz NXLWLNYWGJPQNT-CYBMUJFWSA-N 1 1 372.389 0.765 20 5 FCBDMO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001593407746 1286130932 /nfs/dbraw/zinc/13/09/32/1286130932.db2.gz NXLWLNYWGJPQNT-CYBMUJFWSA-N 1 1 372.389 0.765 20 5 FCBDMO CNC(=O)C[NH+]1CCC(Nc2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 ZINC001609288459 1289055159 /nfs/dbraw/zinc/05/51/59/1289055159.db2.gz SEINGNZQSSYPNV-UHFFFAOYSA-N 1 1 360.378 0.397 20 5 FCBDMO O=[N+]([O-])c1c(-c2nn[nH]n2)cccc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001593466538 1286171400 /nfs/dbraw/zinc/17/14/00/1286171400.db2.gz JAJAPOUPQRCLPN-LBPRGKRZSA-N 1 1 359.390 0.810 20 5 FCBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001593481245 1286174567 /nfs/dbraw/zinc/17/45/67/1286174567.db2.gz PPDJVSZPLSKTCM-STQMWFEESA-N 1 1 359.390 0.810 20 5 FCBDMO O=[N+]([O-])c1sc(-c2nn[nH]n2)cc1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001593487214 1286176346 /nfs/dbraw/zinc/17/63/46/1286176346.db2.gz FPGQVFADOXTAQN-ZJUUUORDSA-N 1 1 365.419 0.872 20 5 FCBDMO O=[N+]([O-])c1sc(-c2nn[nH]n2)cc1N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001593487214 1286176349 /nfs/dbraw/zinc/17/63/49/1286176349.db2.gz FPGQVFADOXTAQN-ZJUUUORDSA-N 1 1 365.419 0.872 20 5 FCBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001606883038 1288546285 /nfs/dbraw/zinc/54/62/85/1288546285.db2.gz MZPPYOQUGRZHFD-XJFOESAGSA-N 1 1 357.374 0.269 20 5 FCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC001607077010 1288650640 /nfs/dbraw/zinc/65/06/40/1288650640.db2.gz FPNLYFFBASZHDD-UHFFFAOYSA-N 1 1 355.362 0.820 20 5 FCBDMO C[NH+](C)CCCC(=O)N1CCC(C)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001689762026 1294837506 /nfs/dbraw/zinc/83/75/06/1294837506.db2.gz QBLNHAPEIIBKMQ-ZIAGYGMSSA-N 1 1 354.451 0.738 20 5 FCBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740390 720725137 /nfs/dbraw/zinc/72/51/37/720725137.db2.gz KNGORUSZKDRTSD-KBPBESRZSA-N 1 1 372.385 0.669 20 5 FCBDMO COc1nc(N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)nc(OC)c1[N+](=O)[O-] ZINC001164925290 721862802 /nfs/dbraw/zinc/86/28/02/721862802.db2.gz NMCPOAYGMRSKQI-NWDGAFQWSA-N 1 1 366.422 0.617 20 5 FCBDMO COc1nc(N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)nc(OC)c1[N+](=O)[O-] ZINC001164925290 721862803 /nfs/dbraw/zinc/86/28/03/721862803.db2.gz NMCPOAYGMRSKQI-NWDGAFQWSA-N 1 1 366.422 0.617 20 5 FCBDMO CCC[N@@H+](C)CC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001060730390 836670480 /nfs/dbraw/zinc/67/04/80/836670480.db2.gz JTIUTVRPJLYWDZ-KBUPBQIOSA-N 1 1 354.451 0.785 20 5 FCBDMO CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060730390 836670486 /nfs/dbraw/zinc/67/04/86/836670486.db2.gz JTIUTVRPJLYWDZ-KBUPBQIOSA-N 1 1 354.451 0.785 20 5 FCBDMO CCC[N@@H+](C)CC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060730390 836670490 /nfs/dbraw/zinc/67/04/90/836670490.db2.gz JTIUTVRPJLYWDZ-KBUPBQIOSA-N 1 1 354.451 0.785 20 5 FCBDMO CC[NH+](CC)CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001061016795 836678808 /nfs/dbraw/zinc/67/88/08/836678808.db2.gz ZVHOZGJRRCTESN-ZIAGYGMSSA-N 1 1 352.435 0.444 20 5 FCBDMO C[NH+](C)CCCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001061108769 836681326 /nfs/dbraw/zinc/68/13/26/836681326.db2.gz RLNSCSFCAQWXQJ-ZIAGYGMSSA-N 1 1 352.435 0.444 20 5 FCBDMO O=C(CCC[NH+]1CCCC1)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062988740 836745446 /nfs/dbraw/zinc/74/54/46/836745446.db2.gz APEPBEBIXJNKGV-ZIAGYGMSSA-N 1 1 352.435 0.683 20 5 FCBDMO O=C(C[NH2+][C@@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)N1CCCCCC1 ZINC001086083447 842118283 /nfs/dbraw/zinc/11/82/83/842118283.db2.gz ZAEQMJDSHMMXTB-LXTVHRRPSA-N 1 1 352.435 0.539 20 5 FCBDMO COCCCCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001098365079 843910068 /nfs/dbraw/zinc/91/00/68/843910068.db2.gz JMJNGTLISZWYNB-HZPDHXFCSA-N 1 1 357.451 0.754 20 5 FCBDMO COCCCCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098365079 843910071 /nfs/dbraw/zinc/91/00/71/843910071.db2.gz JMJNGTLISZWYNB-HZPDHXFCSA-N 1 1 357.451 0.754 20 5 FCBDMO COCCCCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098365079 843910076 /nfs/dbraw/zinc/91/00/76/843910076.db2.gz JMJNGTLISZWYNB-HZPDHXFCSA-N 1 1 357.451 0.754 20 5 FCBDMO CC(C)(C)NC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001121076483 848315382 /nfs/dbraw/zinc/31/53/82/848315382.db2.gz ADXZJLNSCOZQSS-UETSVZEDSA-N 1 1 352.435 0.583 20 5 FCBDMO CC(C)N(C)C(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001121081094 848315734 /nfs/dbraw/zinc/31/57/34/848315734.db2.gz HRVMSTDFUMGNII-FZOOGMQUSA-N 1 1 352.435 0.535 20 5 FCBDMO C[NH+]1CCN(C(=O)CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001124074016 848675714 /nfs/dbraw/zinc/67/57/14/848675714.db2.gz WMFMQVXYQJCTQU-UHFFFAOYSA-N 1 1 372.784 0.820 20 5 FCBDMO CCS(=O)(=O)c1ccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001126936267 848713280 /nfs/dbraw/zinc/71/32/80/848713280.db2.gz DNBFWPDIFIBYGS-ZIAGYGMSSA-N 1 1 355.416 0.351 20 5 FCBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccc(F)c(Cl)c1 ZINC001126936639 848713339 /nfs/dbraw/zinc/71/33/39/848713339.db2.gz NPFNJQDGQDPPHN-BXKDBHETSA-N 1 1 358.757 0.789 20 5 FCBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@]1(CO)COCC[NH2+]1 ZINC001151816647 849695800 /nfs/dbraw/zinc/69/58/00/849695800.db2.gz DASPLOTXPQSOAV-INIZCTEOSA-N 1 1 352.391 0.254 20 5 FCBDMO CC(=O)N(C)Cc1nnc2n1CCC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169023616 850603089 /nfs/dbraw/zinc/60/30/89/850603089.db2.gz PDYLUYMXLXMNAJ-ZIAGYGMSSA-N 1 1 350.423 0.908 20 5 FCBDMO CC(=O)N(C)Cc1nnc2n1CCC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169023616 850603093 /nfs/dbraw/zinc/60/30/93/850603093.db2.gz PDYLUYMXLXMNAJ-ZIAGYGMSSA-N 1 1 350.423 0.908 20 5 FCBDMO CC(=O)N1CC2(C1)C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C[C@@H]2C(=O)N(C)C ZINC001169054602 850604635 /nfs/dbraw/zinc/60/46/35/850604635.db2.gz MSYNDQARIBXCLX-RRFJBIMHSA-N 1 1 352.435 0.300 20 5 FCBDMO CCOC(=O)C1C[NH2+]CCC1=Nc1cc([N+](=O)[O-])cnc1C(=O)OC ZINC001170521729 850656928 /nfs/dbraw/zinc/65/69/28/850656928.db2.gz MSXZRDGQRBIQSJ-UHFFFAOYSA-N 1 1 350.331 0.999 20 5 FCBDMO CN(C)C(=O)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001177313849 850837274 /nfs/dbraw/zinc/83/72/74/850837274.db2.gz SWLWRHIHEGRJTK-HUUCEWRRSA-N 1 1 354.451 0.738 20 5 FCBDMO Cn1ccc(C[NH2+]CCCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1=O ZINC001178458718 850900805 /nfs/dbraw/zinc/90/08/05/850900805.db2.gz UUIZIXUUMVPJRJ-HUUCEWRRSA-N 1 1 350.419 0.817 20 5 FCBDMO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3nc(C)[nH]c(=O)c3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001229378250 857266594 /nfs/dbraw/zinc/26/65/94/857266594.db2.gz GKLPKQAYEXOWLM-YFKTTZPYSA-N 1 1 352.347 0.944 20 5 FCBDMO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3nc(C)[nH]c(=O)c3[N+](=O)[O-])C[C@H]1[N@H+]2C ZINC001229378250 857266606 /nfs/dbraw/zinc/26/66/06/857266606.db2.gz GKLPKQAYEXOWLM-YFKTTZPYSA-N 1 1 352.347 0.944 20 5 FCBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCC(N)=O)CC1 ZINC001253346651 857881871 /nfs/dbraw/zinc/88/18/71/857881871.db2.gz RWCMOIUYPBLRLI-LLVKDONJSA-N 1 1 350.375 0.888 20 5 FCBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@]1(CO)COCC[NH2+]1 ZINC001307201215 866648341 /nfs/dbraw/zinc/64/83/41/866648341.db2.gz SZJHEXDSRMPMAK-AWEZNQCLSA-N 1 1 359.766 0.798 20 5 FCBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001309516691 866825155 /nfs/dbraw/zinc/82/51/55/866825155.db2.gz XAEAMIKIDOSQMK-MFKMUULPSA-N 1 1 369.399 0.706 20 5 FCBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001309516691 866825170 /nfs/dbraw/zinc/82/51/70/866825170.db2.gz XAEAMIKIDOSQMK-MFKMUULPSA-N 1 1 369.399 0.706 20 5 FCBDMO Cc1cc(S(=O)(=O)NCC(=O)N2CC[NH+](C)CC2)c(C)cc1[N+](=O)[O-] ZINC001309858058 866933959 /nfs/dbraw/zinc/93/39/59/866933959.db2.gz YGZMIVDZKUJLLL-UHFFFAOYSA-N 1 1 370.431 0.264 20 5 FCBDMO C[NH+]1CCN(C(=O)CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001348581016 872730043 /nfs/dbraw/zinc/73/00/43/872730043.db2.gz ABOQWZJZJPOQRG-UHFFFAOYSA-N 1 1 356.329 0.577 20 5 FCBDMO COC[C@]1(C(=O)OC)CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000295150302 214279948 /nfs/dbraw/zinc/27/99/48/214279948.db2.gz MADGXVSUQVEKGN-GUYCJALGSA-N 1 1 368.386 0.846 20 5 FCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000295296036 214289213 /nfs/dbraw/zinc/28/92/13/214289213.db2.gz UUBFLUCBQXACNU-BZNIZROVSA-N 1 1 352.366 0.873 20 5 FCBDMO COc1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000296246034 214338880 /nfs/dbraw/zinc/33/88/80/214338880.db2.gz PBQRWZOWODAJTK-GFCCVEGCSA-N 1 1 373.431 0.729 20 5 FCBDMO COc1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000296246034 214338884 /nfs/dbraw/zinc/33/88/84/214338884.db2.gz PBQRWZOWODAJTK-GFCCVEGCSA-N 1 1 373.431 0.729 20 5 FCBDMO COC[C@@]1(C(=O)OC)CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000296175400 214335226 /nfs/dbraw/zinc/33/52/26/214335226.db2.gz IAXXYIUZNOLKOM-WMLDXEAASA-N 1 1 368.386 0.846 20 5 FCBDMO COC[C@]1(C(=O)OC)CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000296175404 214335826 /nfs/dbraw/zinc/33/58/26/214335826.db2.gz IAXXYIUZNOLKOM-YOEHRIQHSA-N 1 1 368.386 0.846 20 5 FCBDMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000297417292 214398351 /nfs/dbraw/zinc/39/83/51/214398351.db2.gz OMAYOOVUMWQNDW-UHFFFAOYSA-N 1 1 356.354 0.411 20 5 FCBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000265575337 210170038 /nfs/dbraw/zinc/17/00/38/210170038.db2.gz PPUNMGULNUCFPB-OAHLLOKOSA-N 1 1 364.402 0.886 20 5 FCBDMO CCOC(=O)c1ccnc(NCCC[N@H+]2CCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000265553868 210165086 /nfs/dbraw/zinc/16/50/86/210165086.db2.gz HMQLYDPMNQLELU-LBPRGKRZSA-N 1 1 365.390 0.918 20 5 FCBDMO Cc1cc(S(=O)(=O)N2CCC([N@@H+](C)CCO)CC2)ccc1[N+](=O)[O-] 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/nfs/dbraw/zinc/46/85/45/488468545.db2.gz VJQXGVPKYSGORV-GDBMZVCRSA-N 1 1 355.439 0.585 20 5 FCBDMO C[C@H](O)C[N@H+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000247567617 488488138 /nfs/dbraw/zinc/48/81/38/488488138.db2.gz GUOGSKIHIZPFLF-KGLIPLIRSA-N 1 1 362.430 0.871 20 5 FCBDMO CC(C)c1n[nH]c(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c1[N+](=O)[O-] ZINC000269318907 488491247 /nfs/dbraw/zinc/49/12/47/488491247.db2.gz AOJQZXWUCXLIRW-SNVBAGLBSA-N 1 1 352.395 0.511 20 5 FCBDMO Cn1cc([C@H]2CSCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000248702292 488501239 /nfs/dbraw/zinc/50/12/39/488501239.db2.gz FUSOUOMWUDLKPD-ZIAGYGMSSA-N 1 1 352.420 0.676 20 5 FCBDMO Cn1cc([C@H]2CSCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000248702292 488501242 /nfs/dbraw/zinc/50/12/42/488501242.db2.gz FUSOUOMWUDLKPD-ZIAGYGMSSA-N 1 1 352.420 0.676 20 5 FCBDMO C[C@H](O)C[N@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249529092 488511439 /nfs/dbraw/zinc/51/14/39/488511439.db2.gz ZTBWNGUGMZJKBS-DZKIICNBSA-N 1 1 353.419 0.721 20 5 FCBDMO COC(=O)CC[N@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000271786169 488546085 /nfs/dbraw/zinc/54/60/85/488546085.db2.gz TWSAGYIBZZFBGE-GFCCVEGCSA-N 1 1 364.402 0.763 20 5 FCBDMO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000121441197 488567788 /nfs/dbraw/zinc/56/77/88/488567788.db2.gz QLAOCWTXNJURNC-ZDUSSCGKSA-N 1 1 374.401 0.337 20 5 FCBDMO C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000122201370 488575912 /nfs/dbraw/zinc/57/59/12/488575912.db2.gz WOTYLUPCVPOZLW-ZDUSSCGKSA-N 1 1 363.418 0.533 20 5 FCBDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272505584 488584629 /nfs/dbraw/zinc/58/46/29/488584629.db2.gz TZAKVYIRVHANLF-UHFFFAOYSA-N 1 1 363.418 0.897 20 5 FCBDMO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2cccnc2[N+](=O)[O-])CCCO1 ZINC000570026816 491210769 /nfs/dbraw/zinc/21/07/69/491210769.db2.gz BMVSWYNNLJDASP-GFCCVEGCSA-N 1 1 358.420 0.769 20 5 FCBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000272712130 488599820 /nfs/dbraw/zinc/59/98/20/488599820.db2.gz KWDMBFDAZATIRS-UHFFFAOYSA-N 1 1 350.379 0.664 20 5 FCBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000126479534 488609541 /nfs/dbraw/zinc/60/95/41/488609541.db2.gz ZJVCDSJEHHSYPF-UHFFFAOYSA-N 1 1 368.353 0.962 20 5 FCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000128016801 488621638 /nfs/dbraw/zinc/62/16/38/488621638.db2.gz GWIPBERGLLEFOC-HUUCEWRRSA-N 1 1 373.413 0.941 20 5 FCBDMO C[C@@H](CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[N@@H+](C)C1CC1 ZINC000263960599 488639138 /nfs/dbraw/zinc/63/91/38/488639138.db2.gz WWLJYDKOYIZOLP-JTQLQIEISA-N 1 1 360.370 0.790 20 5 FCBDMO CC[N@H+](C)CCNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273512341 488655677 /nfs/dbraw/zinc/65/56/77/488655677.db2.gz XCVSUDLFLDYGND-UHFFFAOYSA-N 1 1 358.420 0.619 20 5 FCBDMO CC[N@@H+](C)CCNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273512341 488655680 /nfs/dbraw/zinc/65/56/80/488655680.db2.gz XCVSUDLFLDYGND-UHFFFAOYSA-N 1 1 358.420 0.619 20 5 FCBDMO C[N@@H+](CCO)C1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000264325946 488664171 /nfs/dbraw/zinc/66/41/71/488664171.db2.gz AWQLZQHUARQQHO-UHFFFAOYSA-N 1 1 361.395 0.811 20 5 FCBDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000264452120 488675356 /nfs/dbraw/zinc/67/53/56/488675356.db2.gz SROGIHHEJIJTJS-CYBMUJFWSA-N 1 1 363.418 0.077 20 5 FCBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000264464025 488676228 /nfs/dbraw/zinc/67/62/28/488676228.db2.gz FGPNMIRCBLGWKU-AWEZNQCLSA-N 1 1 350.375 0.673 20 5 FCBDMO O=C(NC1CC1)N[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273994388 488678333 /nfs/dbraw/zinc/67/83/33/488678333.db2.gz MHCWFSIMDLECHJ-KGLIPLIRSA-N 1 1 364.402 0.870 20 5 FCBDMO Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000264629061 488691973 /nfs/dbraw/zinc/69/19/73/488691973.db2.gz TTXFZEXBQWMZKV-ZDUSSCGKSA-N 1 1 370.431 0.521 20 5 FCBDMO Cc1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000264629061 488691975 /nfs/dbraw/zinc/69/19/75/488691975.db2.gz TTXFZEXBQWMZKV-ZDUSSCGKSA-N 1 1 370.431 0.521 20 5 FCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000264735416 488704860 /nfs/dbraw/zinc/70/48/60/488704860.db2.gz JQWZKPRHKYSKEB-IUODEOHRSA-N 1 1 363.418 0.075 20 5 FCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264771611 488710082 /nfs/dbraw/zinc/71/00/82/488710082.db2.gz QCCCJRXLUAEUPC-HNNXBMFYSA-N 1 1 363.418 0.077 20 5 FCBDMO O=C(CO)N1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000152773350 488722936 /nfs/dbraw/zinc/72/29/36/488722936.db2.gz TYZDXRVLNKGIFU-UHFFFAOYSA-N 1 1 360.370 0.929 20 5 FCBDMO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000275135869 488765290 /nfs/dbraw/zinc/76/52/90/488765290.db2.gz SXZUOHSHKDKLQL-SNVBAGLBSA-N 1 1 362.308 0.757 20 5 FCBDMO C[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C[NH+]1CCN(C)CC1 ZINC000158064664 488775239 /nfs/dbraw/zinc/77/52/39/488775239.db2.gz OLEIBVUUZDQTBD-AWEZNQCLSA-N 1 1 370.475 0.898 20 5 FCBDMO Cc1cc[nH+]c(N2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)c1 ZINC000158868183 488780920 /nfs/dbraw/zinc/78/09/20/488780920.db2.gz JRLRMAFCMATYBQ-UHFFFAOYSA-N 1 1 357.370 0.809 20 5 FCBDMO O=[N+]([O-])c1cnc2ccc(NCCCCN3CC[NH+](CCO)CC3)nn21 ZINC000159775420 488787405 /nfs/dbraw/zinc/78/74/05/488787405.db2.gz DFRRNYHEIXEVKS-UHFFFAOYSA-N 1 1 363.422 0.440 20 5 FCBDMO CCCc1n[nH]c(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000160104598 488789587 /nfs/dbraw/zinc/78/95/87/488789587.db2.gz RGSQGTTYRPTNEO-LBPRGKRZSA-N 1 1 352.439 0.884 20 5 FCBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000278129327 488801952 /nfs/dbraw/zinc/80/19/52/488801952.db2.gz MNQUIVLXXIVBME-GFCCVEGCSA-N 1 1 363.374 0.074 20 5 FCBDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000278215605 488805857 /nfs/dbraw/zinc/80/58/57/488805857.db2.gz ROFJWFSHGZIMRT-SNVBAGLBSA-N 1 1 352.347 0.405 20 5 FCBDMO CCC[C@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@H+]1CCOC ZINC000163644147 488808462 /nfs/dbraw/zinc/80/84/62/488808462.db2.gz QHCDIVPTGQKJHW-AWEZNQCLSA-N 1 1 368.438 0.934 20 5 FCBDMO C[C@H](O)C[NH+]1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000288355119 488973752 /nfs/dbraw/zinc/97/37/52/488973752.db2.gz GXGIUCXWANJJLK-NSHDSACASA-N 1 1 362.390 0.679 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000288858155 489022705 /nfs/dbraw/zinc/02/27/05/489022705.db2.gz QTEATSHJQYAORI-UHFFFAOYSA-N 1 1 365.434 0.841 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCN(C)CC[NH+](C)C ZINC000288858155 489022709 /nfs/dbraw/zinc/02/27/09/489022709.db2.gz QTEATSHJQYAORI-UHFFFAOYSA-N 1 1 365.434 0.841 20 5 FCBDMO CCOC(=O)CCCNC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365128086 489041413 /nfs/dbraw/zinc/04/14/13/489041413.db2.gz XQGWEMXAIUDDHF-UHFFFAOYSA-N 1 1 367.406 0.888 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000365808153 489115692 /nfs/dbraw/zinc/11/56/92/489115692.db2.gz YOCSNIJUQUUZQS-GFCCVEGCSA-N 1 1 363.374 0.641 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000365808153 489115694 /nfs/dbraw/zinc/11/56/94/489115694.db2.gz YOCSNIJUQUUZQS-GFCCVEGCSA-N 1 1 363.374 0.641 20 5 FCBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000290249449 489124891 /nfs/dbraw/zinc/12/48/91/489124891.db2.gz MXEKOIYZOSGDSH-CQSZACIVSA-N 1 1 363.418 0.458 20 5 FCBDMO CC[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+]1C[C@H](C)O ZINC000330683062 489132428 /nfs/dbraw/zinc/13/24/28/489132428.db2.gz IIFBYUOIRJNBQF-STQMWFEESA-N 1 1 353.423 0.830 20 5 FCBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000282329067 489155427 /nfs/dbraw/zinc/15/54/27/489155427.db2.gz CZYYAFDKIMPJPR-LLVKDONJSA-N 1 1 367.381 0.343 20 5 FCBDMO C[N@@H+](C[C@H](O)CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000290760019 489163432 /nfs/dbraw/zinc/16/34/32/489163432.db2.gz JYTVTZUXPZTASC-WMLDXEAASA-N 1 1 362.386 0.817 20 5 FCBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@@H]2C1 ZINC000291491999 489174321 /nfs/dbraw/zinc/17/43/21/489174321.db2.gz BHZCGDZYJYQGTJ-BXUZGUMPSA-N 1 1 372.381 0.743 20 5 FCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000366423367 489179705 /nfs/dbraw/zinc/17/97/05/489179705.db2.gz JETXVTIXDCVENS-CABCVRRESA-N 1 1 366.422 0.734 20 5 FCBDMO CN(C)c1cc(F)c(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000295402310 489193178 /nfs/dbraw/zinc/19/31/78/489193178.db2.gz ZPFIFEPLNDPGAL-NSHDSACASA-N 1 1 353.398 0.776 20 5 FCBDMO CC(C)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[NH+]1CCOCC1 ZINC000298521111 489334467 /nfs/dbraw/zinc/33/44/67/489334467.db2.gz TTXOEYFBEHUUQE-AWEZNQCLSA-N 1 1 352.391 0.230 20 5 FCBDMO NS(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000370250824 489335275 /nfs/dbraw/zinc/33/52/75/489335275.db2.gz IKFAZMIGBXGOED-JSGCOSHPSA-N 1 1 359.404 0.087 20 5 FCBDMO NS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000370250824 489335279 /nfs/dbraw/zinc/33/52/79/489335279.db2.gz IKFAZMIGBXGOED-JSGCOSHPSA-N 1 1 359.404 0.087 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000370547652 489373144 /nfs/dbraw/zinc/37/31/44/489373144.db2.gz RBUVAEONVCYZND-ZIAGYGMSSA-N 1 1 351.407 0.859 20 5 FCBDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000286369915 489384573 /nfs/dbraw/zinc/38/45/73/489384573.db2.gz GGOGCMJPDGZYGC-JQWIXIFHSA-N 1 1 366.296 0.580 20 5 FCBDMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363026243 489413274 /nfs/dbraw/zinc/41/32/74/489413274.db2.gz AANDYLBOSKEXAO-VXGBXAGGSA-N 1 1 372.381 0.934 20 5 FCBDMO C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000451665923 489516087 /nfs/dbraw/zinc/51/60/87/489516087.db2.gz RDEDJEVCFSEVNE-QLFBSQMISA-N 1 1 353.419 0.721 20 5 FCBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)N1CCO ZINC000451665923 489516089 /nfs/dbraw/zinc/51/60/89/489516089.db2.gz RDEDJEVCFSEVNE-QLFBSQMISA-N 1 1 353.419 0.721 20 5 FCBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)N1CCO ZINC000451665923 489516092 /nfs/dbraw/zinc/51/60/92/489516092.db2.gz RDEDJEVCFSEVNE-QLFBSQMISA-N 1 1 353.419 0.721 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@H]1CC(N)=O ZINC000452079943 489543971 /nfs/dbraw/zinc/54/39/71/489543971.db2.gz GNKXZUMPUCUTIJ-CYBMUJFWSA-N 1 1 350.375 0.808 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOC[C@H]1CC(N)=O ZINC000452079943 489543973 /nfs/dbraw/zinc/54/39/73/489543973.db2.gz GNKXZUMPUCUTIJ-CYBMUJFWSA-N 1 1 350.375 0.808 20 5 FCBDMO 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COc1ccc(CC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000896564056 665094647 /nfs/dbraw/zinc/09/46/47/665094647.db2.gz NNACJRPNNNUFTP-IUODEOHRSA-N 1 1 350.419 0.896 20 5 FCBDMO COc1ccc(CC(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000896564056 665094650 /nfs/dbraw/zinc/09/46/50/665094650.db2.gz NNACJRPNNNUFTP-IUODEOHRSA-N 1 1 350.419 0.896 20 5 FCBDMO COc1ccc(CC(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000896564056 665094651 /nfs/dbraw/zinc/09/46/51/665094651.db2.gz NNACJRPNNNUFTP-IUODEOHRSA-N 1 1 350.419 0.896 20 5 FCBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC000906478241 666054926 /nfs/dbraw/zinc/05/49/26/666054926.db2.gz MOPIOGIZYCUODK-NSHDSACASA-N 1 1 350.375 0.886 20 5 FCBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000916618699 667009980 /nfs/dbraw/zinc/00/99/80/667009980.db2.gz TUPUCTMMUYYHEP-LLVKDONJSA-N 1 1 350.375 0.886 20 5 FCBDMO Cc1cc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)cc([N+](=O)[O-])c1F ZINC000919999220 667216747 /nfs/dbraw/zinc/21/67/47/667216747.db2.gz FZYBMJUHMXEDOB-SMDDNHRTSA-N 1 1 374.438 0.955 20 5 FCBDMO Cc1cc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)cc([N+](=O)[O-])c1F ZINC000919999220 667216749 /nfs/dbraw/zinc/21/67/49/667216749.db2.gz FZYBMJUHMXEDOB-SMDDNHRTSA-N 1 1 374.438 0.955 20 5 FCBDMO O=C(NCC1CN(C(=O)C23CCC[NH+](CCC2)C3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001798286 667505270 /nfs/dbraw/zinc/50/52/70/667505270.db2.gz ADSBPBPRONMFNX-ZIAGYGMSSA-N 1 1 350.419 0.102 20 5 FCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@H+](Cc3cnns3)C[C@H]2CC1 ZINC000946589368 667669108 /nfs/dbraw/zinc/66/91/08/667669108.db2.gz VSKDQMZBGHWSAI-ZMJPVWNMSA-N 1 1 351.432 0.874 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](Cc3cnns3)C[C@H]2CC1 ZINC000946589368 667669109 /nfs/dbraw/zinc/66/91/09/667669109.db2.gz VSKDQMZBGHWSAI-ZMJPVWNMSA-N 1 1 351.432 0.874 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2C[N@H+](Cc3cnns3)C[C@H]2CC1 ZINC000946589368 667669110 /nfs/dbraw/zinc/66/91/10/667669110.db2.gz VSKDQMZBGHWSAI-ZMJPVWNMSA-N 1 1 351.432 0.874 20 5 FCBDMO Cc1csc(=O)n1CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001034645003 667762004 /nfs/dbraw/zinc/76/20/04/667762004.db2.gz PMLNXLGOUPVZGW-AAVRWANBSA-N 1 1 368.459 0.900 20 5 FCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000762701798 667926298 /nfs/dbraw/zinc/92/62/98/667926298.db2.gz RNVFMGXDKFOAIV-CQSZACIVSA-N 1 1 356.766 0.370 20 5 FCBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000742254867 668030711 /nfs/dbraw/zinc/03/07/11/668030711.db2.gz HLBPWGBRCFUWBI-TZMCWYRMSA-N 1 1 370.431 0.278 20 5 FCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000777771067 668337427 /nfs/dbraw/zinc/33/74/27/668337427.db2.gz DATGYCPDFJVRPC-NSHDSACASA-N 1 1 350.375 0.886 20 5 FCBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000777771067 668337431 /nfs/dbraw/zinc/33/74/31/668337431.db2.gz DATGYCPDFJVRPC-NSHDSACASA-N 1 1 350.375 0.886 20 5 FCBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000783262268 668607590 /nfs/dbraw/zinc/60/75/90/668607590.db2.gz BJGSDIQRRZWXRS-NSHDSACASA-N 1 1 353.379 0.196 20 5 FCBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000827350950 669557644 /nfs/dbraw/zinc/55/76/44/669557644.db2.gz ZFCUJKIHDDTZGZ-JKSUJKDBSA-N 1 1 351.403 0.981 20 5 FCBDMO C[C@@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000830593717 669795443 /nfs/dbraw/zinc/79/54/43/669795443.db2.gz GBGXWUVGVGNHCJ-DOMZBBRYSA-N 1 1 351.403 0.932 20 5 FCBDMO CCN(C(=O)C12CCC[NH+]1CCC2)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000968155871 675185679 /nfs/dbraw/zinc/18/56/79/675185679.db2.gz LKFMVPHPMLSHEA-ZIAGYGMSSA-N 1 1 350.419 0.339 20 5 FCBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000862120541 672029095 /nfs/dbraw/zinc/02/90/95/672029095.db2.gz DTGOKBOFHWFOSL-SNVBAGLBSA-N 1 1 356.766 0.370 20 5 FCBDMO O=C(NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1=CCCC1 ZINC001055558733 676023889 /nfs/dbraw/zinc/02/38/89/676023889.db2.gz CVDHAFLKDMVVSU-HUUCEWRRSA-N 1 1 350.419 0.459 20 5 FCBDMO O=C(NCC[NH+]1CCC(NC(=O)C2CCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001055575498 676025131 /nfs/dbraw/zinc/02/51/31/676025131.db2.gz WVXNNAMUVAZXTA-HUUCEWRRSA-N 1 1 352.435 0.539 20 5 FCBDMO O=C(NCC1=CC[N@@H+](CCCN2CCCC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000675818 676058951 /nfs/dbraw/zinc/05/89/51/676058951.db2.gz VZRKTYWEODGHMX-HUUCEWRRSA-N 1 1 350.419 0.412 20 5 FCBDMO O=C(NCC1=CC[N@H+](CCCN2CCCC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000675818 676058954 /nfs/dbraw/zinc/05/89/54/676058954.db2.gz VZRKTYWEODGHMX-HUUCEWRRSA-N 1 1 350.419 0.412 20 5 FCBDMO O=C(NCC1=CC[N@@H+](CCCN2CCCC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000675818 676058957 /nfs/dbraw/zinc/05/89/57/676058957.db2.gz VZRKTYWEODGHMX-HUUCEWRRSA-N 1 1 350.419 0.412 20 5 FCBDMO Cc1noc(CCC[NH+]2CCC(C)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001045437657 675653786 /nfs/dbraw/zinc/65/37/86/675653786.db2.gz XIZZCVIGRSFGFA-CHWSQXEVSA-N 1 1 351.407 0.947 20 5 FCBDMO NS(=O)(=O)c1ccc(C(=O)OCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000801439297 675784531 /nfs/dbraw/zinc/78/45/31/675784531.db2.gz CEMUMGSJRQRVSE-UHFFFAOYSA-N 1 1 373.387 0.121 20 5 FCBDMO Cc1nc[nH]c1CC(=O)N1CCC(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000988582021 1192309818 /nfs/dbraw/zinc/30/98/18/1192309818.db2.gz NGUXWSSQOFFMFD-UKRRQHHQSA-N 1 1 363.418 0.623 20 5 FCBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000828195411 1183282113 /nfs/dbraw/zinc/28/21/13/1183282113.db2.gz DITZQVUFFVRXLR-HZPDHXFCSA-N 1 1 360.414 0.931 20 5 FCBDMO CC(C)[NH+]1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000976484010 1185958385 /nfs/dbraw/zinc/95/83/85/1185958385.db2.gz OVBHESHDHRYUPK-LJIZCISZSA-N 1 1 364.446 0.345 20 5 FCBDMO O=C(NC[C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000979750459 1186113849 /nfs/dbraw/zinc/11/38/49/1186113849.db2.gz UIRMXHQZXIMIBY-KBUPBQIOSA-N 1 1 364.446 0.539 20 5 FCBDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000896241639 1190019354 /nfs/dbraw/zinc/01/93/54/1190019354.db2.gz ALPPTHODBNZCFY-UHFFFAOYSA-N 1 1 361.402 0.720 20 5 FCBDMO CC[N@H+]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000552987488 1193963530 /nfs/dbraw/zinc/96/35/30/1193963530.db2.gz PXBBSLMNNVVBOZ-GFCCVEGCSA-N 1 1 362.386 0.873 20 5 FCBDMO COc1ccccc1CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126943529 1194948389 /nfs/dbraw/zinc/94/83/89/1194948389.db2.gz PZLKEYHMTJBFOM-ZIAGYGMSSA-N 1 1 364.402 0.025 20 5 FCBDMO O=C1C[C@@H](N2CC[NH+]([C@H]3CCOC3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000594660543 1196734451 /nfs/dbraw/zinc/73/44/51/1196734451.db2.gz OHEPRULVYALYLX-JKSUJKDBSA-N 1 1 374.397 0.633 20 5 FCBDMO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593502974 1196798338 /nfs/dbraw/zinc/79/83/38/1196798338.db2.gz GTABQDHITQSDCP-MRXNPFEDSA-N 1 1 362.430 0.682 20 5 FCBDMO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593502974 1196798345 /nfs/dbraw/zinc/79/83/45/1196798345.db2.gz GTABQDHITQSDCP-MRXNPFEDSA-N 1 1 362.430 0.682 20 5 FCBDMO CNC(=O)c1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001086082982 1198140323 /nfs/dbraw/zinc/14/03/23/1198140323.db2.gz JRRKYISLYIHQHL-SLBVQIDZSA-N 1 1 360.414 0.696 20 5 FCBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000769701436 1200351385 /nfs/dbraw/zinc/35/13/85/1200351385.db2.gz OVCKPWADDBBCJZ-OAHLLOKOSA-N 1 1 363.418 0.850 20 5 FCBDMO NC(=O)[C@@](O)(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000851844052 1209522432 /nfs/dbraw/zinc/52/24/32/1209522432.db2.gz QENNTCZYHUPHGA-RDTXWAMCSA-N 1 1 371.397 0.849 20 5 FCBDMO O=Cc1ccc(OCC(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000861712431 1209876133 /nfs/dbraw/zinc/87/61/33/1209876133.db2.gz OHNYURUKWJAVSS-UONOGXRCSA-N 1 1 363.370 0.454 20 5 FCBDMO O=Cc1ccc(OCC(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000861712429 1209876360 /nfs/dbraw/zinc/87/63/60/1209876360.db2.gz OHNYURUKWJAVSS-KBPBESRZSA-N 1 1 363.370 0.454 20 5 FCBDMO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000866711020 1210003546 /nfs/dbraw/zinc/00/35/46/1210003546.db2.gz ZSMBEGVSNHMBIV-XPKDYRNWSA-N 1 1 362.386 0.841 20 5 FCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883155825 1210656194 /nfs/dbraw/zinc/65/61/94/1210656194.db2.gz UMKGGFCIQAZKMS-CQSZACIVSA-N 1 1 365.434 0.460 20 5 FCBDMO COC(=O)c1cc(C(=O)N2CCN(C)CC[N@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC000888999104 1210932079 /nfs/dbraw/zinc/93/20/79/1210932079.db2.gz UPSIYJYWPRLDIU-UHFFFAOYSA-N 1 1 364.402 0.701 20 5 FCBDMO COC(=O)c1cc(C(=O)N2CCN(C)CC[N@@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC000888999104 1210932082 /nfs/dbraw/zinc/93/20/82/1210932082.db2.gz UPSIYJYWPRLDIU-UHFFFAOYSA-N 1 1 364.402 0.701 20 5 FCBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000363197490 1211290249 /nfs/dbraw/zinc/29/02/49/1211290249.db2.gz OKRILMSKGCLGHA-KGLIPLIRSA-N 1 1 372.385 0.769 20 5 FCBDMO Cn1cc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000546571773 1211437434 /nfs/dbraw/zinc/43/74/34/1211437434.db2.gz WKGFAKJASQIEKU-QGZVFWFLSA-N 1 1 359.386 0.792 20 5 FCBDMO CN(C(=O)c1ccccc1C[NH+](C)C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954501693 1213080190 /nfs/dbraw/zinc/08/01/90/1213080190.db2.gz YPVMKVPYPIWVIT-HZPDHXFCSA-N 1 1 360.414 0.696 20 5 FCBDMO CCCc1[nH]nc(C(=O)O[C@@H](C)C(=O)N2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000796260950 1213396798 /nfs/dbraw/zinc/39/67/98/1213396798.db2.gz HZPQFUQKNIDFOG-NSHDSACASA-N 1 1 367.406 0.980 20 5 FCBDMO O=C(NC1(C2CC[NH+](CCN3CCNC3=O)CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000154922 1216013055 /nfs/dbraw/zinc/01/30/55/1216013055.db2.gz PNJZZTVFBNLUMB-ZIAGYGMSSA-N 1 1 365.434 0.038 20 5 FCBDMO Cn1ccc(C[NH+]2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)CC2)cc1=O ZINC001050516483 1216329039 /nfs/dbraw/zinc/32/90/39/1216329039.db2.gz DAMMXJZHQUUFIM-HUUCEWRRSA-N 1 1 360.414 0.475 20 5 FCBDMO CN(CCCN(C)C(=O)C12CCC[NH+](CCC1)C2)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067391769 1217403216 /nfs/dbraw/zinc/40/32/16/1217403216.db2.gz BYCVRJKPLGWHTP-HUUCEWRRSA-N 1 1 366.462 0.835 20 5 FCBDMO O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCCC[NH+]1CCOCC1 ZINC000748498690 1218759261 /nfs/dbraw/zinc/75/92/61/1218759261.db2.gz CUTGELHITGEYPS-UHFFFAOYSA-N 1 1 365.342 0.768 20 5 FCBDMO C=C/C(C)=C/CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575618 1219084814 /nfs/dbraw/zinc/08/48/14/1219084814.db2.gz HBKZGOZILOBKRC-UBYOVFKISA-N 1 1 364.446 0.871 20 5 FCBDMO C[NH+](C)CCCCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070114481 1219189220 /nfs/dbraw/zinc/18/92/20/1219189220.db2.gz RWHMORCHHAVEGW-ZIAGYGMSSA-N 1 1 370.450 0.165 20 5 FCBDMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC001074330880 1219686153 /nfs/dbraw/zinc/68/61/53/1219686153.db2.gz VIDBARITKGSFJT-QKPAOTATSA-N 1 1 366.462 0.689 20 5 FCBDMO CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC001074330880 1219686154 /nfs/dbraw/zinc/68/61/54/1219686154.db2.gz VIDBARITKGSFJT-QKPAOTATSA-N 1 1 366.462 0.689 20 5 FCBDMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC001074330880 1219686155 /nfs/dbraw/zinc/68/61/55/1219686155.db2.gz VIDBARITKGSFJT-QKPAOTATSA-N 1 1 366.462 0.689 20 5 FCBDMO CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2CC1 ZINC001074349843 1219686642 /nfs/dbraw/zinc/68/66/42/1219686642.db2.gz YCKHIGBQMQWSTQ-QKPAOTATSA-N 1 1 366.462 0.690 20 5 FCBDMO CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2CC1 ZINC001074349843 1219686644 /nfs/dbraw/zinc/68/66/44/1219686644.db2.gz YCKHIGBQMQWSTQ-QKPAOTATSA-N 1 1 366.462 0.690 20 5 FCBDMO CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2CC1 ZINC001074349843 1219686646 /nfs/dbraw/zinc/68/66/46/1219686646.db2.gz YCKHIGBQMQWSTQ-QKPAOTATSA-N 1 1 366.462 0.690 20 5 FCBDMO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OCCC[NH+]1CCOCC1 ZINC000750875434 1220024749 /nfs/dbraw/zinc/02/47/49/1220024749.db2.gz PTVFEWKWMCCDMS-UHFFFAOYSA-N 1 1 365.386 0.980 20 5 FCBDMO Cc1nc(C)n(CC[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCCC2)n1 ZINC001115530784 1221311545 /nfs/dbraw/zinc/31/15/45/1221311545.db2.gz RDRWZTWCKYMHME-HUUCEWRRSA-N 1 1 364.450 0.969 20 5 FCBDMO C[C@H](NC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[C@H]1C[N@H+](C)CCO1 ZINC001117594784 1221581369 /nfs/dbraw/zinc/58/13/69/1221581369.db2.gz MVVDWIUZDGUKEC-XHDPSFHLSA-N 1 1 362.386 0.272 20 5 FCBDMO C[C@H](NC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[C@H]1C[N@@H+](C)CCO1 ZINC001117594784 1221581373 /nfs/dbraw/zinc/58/13/73/1221581373.db2.gz MVVDWIUZDGUKEC-XHDPSFHLSA-N 1 1 362.386 0.272 20 5 FCBDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000830866309 1222484446 /nfs/dbraw/zinc/48/44/46/1222484446.db2.gz XCSRRZXTKGYXSK-JQWIXIFHSA-N 1 1 369.349 0.918 20 5 FCBDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000830866307 1222484500 /nfs/dbraw/zinc/48/45/00/1222484500.db2.gz XCSRRZXTKGYXSK-CMPLNLGQSA-N 1 1 369.349 0.918 20 5 FCBDMO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NCC[N@@H+](C)CCO)c1 ZINC001155250894 1223030535 /nfs/dbraw/zinc/03/05/35/1223030535.db2.gz DTSMDDDCYMYUCE-UHFFFAOYSA-N 1 1 361.402 0.802 20 5 FCBDMO COC(=O)[C@H]1C[N@H+](C)CCN1c1ncnc2cc(OC)c([N+](=O)[O-])cc21 ZINC001157771958 1223081608 /nfs/dbraw/zinc/08/16/08/1223081608.db2.gz BEOXYCZJCRUUFY-CYBMUJFWSA-N 1 1 361.358 0.840 20 5 FCBDMO COC(=O)[C@H]1C[N@@H+](C)CCN1c1ncnc2cc(OC)c([N+](=O)[O-])cc21 ZINC001157771958 1223081611 /nfs/dbraw/zinc/08/16/11/1223081611.db2.gz BEOXYCZJCRUUFY-CYBMUJFWSA-N 1 1 361.358 0.840 20 5 FCBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCc1cc(F)cc(F)c1 ZINC001157774844 1223081900 /nfs/dbraw/zinc/08/19/00/1223081900.db2.gz CSBBNODXYYUVIN-ZIAGYGMSSA-N 1 1 370.356 0.342 20 5 FCBDMO CN(Cc1ccc(F)cc1)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775368 1223082473 /nfs/dbraw/zinc/08/24/73/1223082473.db2.gz PRZZXAZZHBIOLT-HUUCEWRRSA-N 1 1 366.393 0.545 20 5 FCBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1NC1CC[NH+](CC(=O)NC)CC1 ZINC001161140235 1223187240 /nfs/dbraw/zinc/18/72/40/1223187240.db2.gz XNBCMAIUVLRBLO-UHFFFAOYSA-N 1 1 365.390 0.789 20 5 FCBDMO COc1nc(N2CC([C@@H]([NH3+])C(=O)OC(C)(C)C)C2)nc(OC)c1[N+](=O)[O-] ZINC001163118852 1223226584 /nfs/dbraw/zinc/22/65/84/1223226584.db2.gz FBPWDYGTXZMCJJ-SECBINFHSA-N 1 1 369.378 0.507 20 5 FCBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000916558405 1245536739 /nfs/dbraw/zinc/53/67/39/1245536739.db2.gz QECPTVKQRNBVHE-UHFFFAOYSA-N 1 1 363.418 0.507 20 5 FCBDMO CC(C)[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]32)CC1 ZINC000977104862 1248545657 /nfs/dbraw/zinc/54/56/57/1248545657.db2.gz NJXABCSFSLYFGY-LJIZCISZSA-N 1 1 364.446 0.345 20 5 FCBDMO CCOCC[NH+]1CCN(c2nnc(C[N+](=O)[O-])n2C[C@H]2CCOC2)CC1 ZINC001516205633 1265540755 /nfs/dbraw/zinc/54/07/55/1265540755.db2.gz OGXHYMLXODSRKL-CQSZACIVSA-N 1 1 368.438 0.250 20 5 FCBDMO CCCCn1nnnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000997777385 1251701725 /nfs/dbraw/zinc/70/17/25/1251701725.db2.gz SYJDGRWUWCSTCM-ZIAGYGMSSA-N 1 1 365.438 0.467 20 5 FCBDMO CC(C)(C)n1nnc(CC[NH+]2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001002787243 1252673106 /nfs/dbraw/zinc/67/31/06/1252673106.db2.gz IGPOYFDVJYPWGR-CHWSQXEVSA-N 1 1 365.438 0.216 20 5 FCBDMO O=C(NCC1C[NH+](CCc2ccc3c(c2)OCCO3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031663110 1253879683 /nfs/dbraw/zinc/87/96/83/1253879683.db2.gz UOLAWYIDXIXXRU-HUUCEWRRSA-N 1 1 361.398 0.714 20 5 FCBDMO O=C(C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)Nc1ccc(O)cc1 ZINC001200470921 1259415395 /nfs/dbraw/zinc/41/53/95/1259415395.db2.gz APTYZSDNJCKQKU-HUUCEWRRSA-N 1 1 362.386 0.577 20 5 FCBDMO CCN1CCN([C@@H](C)C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001335351842 1259620426 /nfs/dbraw/zinc/62/04/26/1259620426.db2.gz PSFDLRUTQJBRFW-JKSUJKDBSA-N 1 1 366.462 0.950 20 5 FCBDMO O=C1CN(C2C[NH+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)CCN1 ZINC001254480265 1259886767 /nfs/dbraw/zinc/88/67/67/1259886767.db2.gz ZYSFEEVDVIEMLF-UHFFFAOYSA-N 1 1 359.430 0.680 20 5 FCBDMO C[C@H](NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC001323570651 1264457564 /nfs/dbraw/zinc/45/75/64/1264457564.db2.gz ORNXMNZCXIDJGS-SWLSCSKDSA-N 1 1 364.402 0.389 20 5 FCBDMO C[C@H](NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC001323570651 1264457567 /nfs/dbraw/zinc/45/75/67/1264457567.db2.gz ORNXMNZCXIDJGS-SWLSCSKDSA-N 1 1 364.402 0.389 20 5 FCBDMO O=Cc1ccc(OCC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c([N+](=O)[O-])c1 ZINC001324823750 1264709464 /nfs/dbraw/zinc/70/94/64/1264709464.db2.gz ZMQHSLPZDRPNAY-AWEZNQCLSA-N 1 1 365.386 0.749 20 5 FCBDMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001326571074 1265137145 /nfs/dbraw/zinc/13/71/45/1265137145.db2.gz DLOXVVSOFATVBU-UHFFFAOYSA-N 1 1 364.402 0.642 20 5 FCBDMO C[C@@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC001327742685 1265411163 /nfs/dbraw/zinc/41/11/63/1265411163.db2.gz VZCFHXGGOBLETR-DOMZBBRYSA-N 1 1 363.418 0.134 20 5 FCBDMO C[NH+]1CCN(C(=O)CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC001522452410 1266558271 /nfs/dbraw/zinc/55/82/71/1266558271.db2.gz CQKLQURYEVLWOZ-UHFFFAOYSA-N 1 1 352.416 0.577 20 5 FCBDMO CN1CCC([N@@H+]2CC[C@H](NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C2)CC1 ZINC001334866624 1267207975 /nfs/dbraw/zinc/20/79/75/1267207975.db2.gz DVTISLXBNFRFOP-ZDUSSCGKSA-N 1 1 363.418 0.041 20 5 FCBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C2)CC1 ZINC001334866624 1267207982 /nfs/dbraw/zinc/20/79/82/1267207982.db2.gz DVTISLXBNFRFOP-ZDUSSCGKSA-N 1 1 363.418 0.041 20 5 FCBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(CCC[N+](=O)[O-])n1C ZINC001341332134 1268940566 /nfs/dbraw/zinc/94/05/66/1268940566.db2.gz QFMRROJTNRVLGH-ZDUSSCGKSA-N 1 1 352.439 0.714 20 5 FCBDMO C[C@H](C(=O)OCc1ccc(N(C)C)c([N+](=O)[O-])c1)N1CC[NH2+]CC1=O ZINC001575081112 1271711835 /nfs/dbraw/zinc/71/18/35/1271711835.db2.gz HHCMMLJPIFLAAL-LLVKDONJSA-N 1 1 350.375 0.524 20 5 FCBDMO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001580281858 1278084843 /nfs/dbraw/zinc/08/48/43/1278084843.db2.gz VUQNYDPQAYPJNH-HOTGVXAUSA-N 1 1 350.419 0.948 20 5 FCBDMO CC(C)[N@@H+](C)CC(=O)NCCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001603318399 1287352903 /nfs/dbraw/zinc/35/29/03/1287352903.db2.gz KIXDOQZKVJYHRK-UHFFFAOYSA-N 1 1 362.394 0.643 20 5 FCBDMO C[C@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC[NH2+]1 ZINC001590207111 1283330257 /nfs/dbraw/zinc/33/02/57/1283330257.db2.gz OOTZVTCZWPWTDX-DTWKUNHWSA-N 1 1 367.391 0.194 20 5 FCBDMO C[N@@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[C@@H]1CCN2CCO[C@H]1C2 ZINC001591126161 1284200464 /nfs/dbraw/zinc/20/04/64/1284200464.db2.gz PUNYMJSFCWAYLB-CABCVRRESA-N 1 1 359.390 0.680 20 5 FCBDMO CNC(=O)C[N@@H+]1CCCN(c2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001591208914 1284336927 /nfs/dbraw/zinc/33/69/27/1284336927.db2.gz NMMZFWCRMPFKPI-UHFFFAOYSA-N 1 1 360.378 0.033 20 5 FCBDMO CNC(=O)C[N@H+]1CCCN(c2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001591208914 1284336932 /nfs/dbraw/zinc/33/69/32/1284336932.db2.gz NMMZFWCRMPFKPI-UHFFFAOYSA-N 1 1 360.378 0.033 20 5 FCBDMO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001593405744 1286127989 /nfs/dbraw/zinc/12/79/89/1286127989.db2.gz MXFQSMQOQOPLSV-ZDUSSCGKSA-N 1 1 373.373 0.160 20 5 FCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001593466456 1286170393 /nfs/dbraw/zinc/17/03/93/1286170393.db2.gz CNFMWDFCCGMLPH-OAHLLOKOSA-N 1 1 373.417 0.806 20 5 FCBDMO CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001604885353 1287808248 /nfs/dbraw/zinc/80/82/48/1287808248.db2.gz UCAOGMRMNOVLCU-GFCCVEGCSA-N 1 1 360.378 0.668 20 5 FCBDMO CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001604885353 1287808249 /nfs/dbraw/zinc/80/82/49/1287808249.db2.gz UCAOGMRMNOVLCU-GFCCVEGCSA-N 1 1 360.378 0.668 20 5 FCBDMO O=C1CC[C@@H]2C[N@@H+](Cc3c(-c4nn[nH]n4)cccc3[N+](=O)[O-])CC[C@H]2N1 ZINC001607043797 1288612351 /nfs/dbraw/zinc/61/23/51/1288612351.db2.gz KKHWPGDJZDFVLZ-ZWNOBZJWSA-N 1 1 357.374 0.875 20 5 FCBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC001607085180 1288652825 /nfs/dbraw/zinc/65/28/25/1288652825.db2.gz LVCJRJULRYANTJ-UHFFFAOYSA-N 1 1 369.389 0.794 20 5 FCBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](Oc3ccc(-c4nn[nH]n4)cn3)C2)c1 ZINC001607085800 1288653239 /nfs/dbraw/zinc/65/32/39/1288653239.db2.gz PJFFYURDOXKDEA-CYBMUJFWSA-N 1 1 371.361 0.520 20 5 FCBDMO CC(C)[NH2+]CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001609100270 1288919143 /nfs/dbraw/zinc/91/91/43/1288919143.db2.gz CNGDQWFGKJGSJW-UHFFFAOYSA-N 1 1 369.407 0.441 20 5 FCBDMO C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001610116105 1289380471 /nfs/dbraw/zinc/38/04/71/1289380471.db2.gz FDICNFZHOOBIKT-UHFFFAOYSA-N 1 1 352.391 0.395 20 5 FCBDMO CC(C)N(C)C(=O)C[NH+]1CCC(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001698720979 1289533518 /nfs/dbraw/zinc/53/35/18/1289533518.db2.gz GUWQXIMZYDWNMA-HUUCEWRRSA-N 1 1 354.451 0.737 20 5 FCBDMO CN(CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(=O)C1([NH+](C)C)CCC1 ZINC001688579534 1294510625 /nfs/dbraw/zinc/51/06/25/1294510625.db2.gz QTRFBLXXFZRXKH-HUUCEWRRSA-N 1 1 366.462 0.833 20 5 FCBDMO O=C(NC1(CNC(=O)C23CC[NH+](CC2)C3)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001688791237 1294531942 /nfs/dbraw/zinc/53/19/42/1294531942.db2.gz BBRSTEDLPKHDBP-CHWSQXEVSA-N 1 1 350.419 0.293 20 5 FCBDMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cccc([N+](=O)[O-])n3)C2)C1 ZINC001164718852 720225594 /nfs/dbraw/zinc/22/55/94/720225594.db2.gz NGKIVXUJJRIWJQ-KRWDZBQOSA-N 1 1 363.418 0.655 20 5 FCBDMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cccc([N+](=O)[O-])n3)C2)C1 ZINC001164718852 720225604 /nfs/dbraw/zinc/22/56/04/720225604.db2.gz NGKIVXUJJRIWJQ-KRWDZBQOSA-N 1 1 363.418 0.655 20 5 FCBDMO Nc1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164740520 720716315 /nfs/dbraw/zinc/71/63/15/720716315.db2.gz QROFRKNYXFRCNX-NWDGAFQWSA-N 1 1 357.374 0.704 20 5 FCBDMO COCC[N@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])c(C)n3)CC[C@@H]2C1 ZINC001164853346 720885975 /nfs/dbraw/zinc/88/59/75/720885975.db2.gz BZWAQWKVTLBPPH-UKRRQHHQSA-N 1 1 351.407 0.867 20 5 FCBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc([N+](=O)[O-])cc[n+]4[O-])C[C@@H]3C2)cn1 ZINC001164765033 721076469 /nfs/dbraw/zinc/07/64/69/721076469.db2.gz IGLGSNGBQUVQEF-GJZGRUSLSA-N 1 1 358.402 0.920 20 5 FCBDMO CC(C)(C)CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001070963509 837705529 /nfs/dbraw/zinc/70/55/29/837705529.db2.gz UURHJPOTNBJAMP-ZIAGYGMSSA-N 1 1 354.451 0.738 20 5 FCBDMO CC(C)(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001070963509 837705533 /nfs/dbraw/zinc/70/55/33/837705533.db2.gz UURHJPOTNBJAMP-ZIAGYGMSSA-N 1 1 354.451 0.738 20 5 FCBDMO CC(C)(C)CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001070963509 837705540 /nfs/dbraw/zinc/70/55/40/837705540.db2.gz UURHJPOTNBJAMP-ZIAGYGMSSA-N 1 1 354.451 0.738 20 5 FCBDMO COc1ccc(C(=O)NCC(=O)N2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000748352962 836296260 /nfs/dbraw/zinc/29/62/60/836296260.db2.gz MKALMXSYTQYEFZ-LLVKDONJSA-N 1 1 350.375 0.496 20 5 FCBDMO COc1ccc(C(=O)NCC(=O)N2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000748352962 836296272 /nfs/dbraw/zinc/29/62/72/836296272.db2.gz MKALMXSYTQYEFZ-LLVKDONJSA-N 1 1 350.375 0.496 20 5 FCBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCCC[NH+]1CCOCC1 ZINC000748491356 836309520 /nfs/dbraw/zinc/30/95/20/836309520.db2.gz GYHXZIWHGDGMEL-UHFFFAOYSA-N 1 1 351.359 0.590 20 5 FCBDMO NC(=O)NC(=O)OCCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000750615302 836432597 /nfs/dbraw/zinc/43/25/97/836432597.db2.gz MCOCXRSKTBHTGX-UHFFFAOYSA-N 1 1 352.351 0.307 20 5 FCBDMO CC[N@@H+](C)CCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001060730322 836670394 /nfs/dbraw/zinc/67/03/94/836670394.db2.gz HUHLQIIKRGFGRL-KBUPBQIOSA-N 1 1 354.451 0.785 20 5 FCBDMO CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060730322 836670397 /nfs/dbraw/zinc/67/03/97/836670397.db2.gz HUHLQIIKRGFGRL-KBUPBQIOSA-N 1 1 354.451 0.785 20 5 FCBDMO CC[N@@H+](C)CCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060730322 836670401 /nfs/dbraw/zinc/67/04/01/836670401.db2.gz HUHLQIIKRGFGRL-KBUPBQIOSA-N 1 1 354.451 0.785 20 5 FCBDMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001060730373 836670846 /nfs/dbraw/zinc/67/08/46/836670846.db2.gz JCIPXYZCQGDCER-KBUPBQIOSA-N 1 1 354.451 0.783 20 5 FCBDMO CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060730373 836670855 /nfs/dbraw/zinc/67/08/55/836670855.db2.gz JCIPXYZCQGDCER-KBUPBQIOSA-N 1 1 354.451 0.783 20 5 FCBDMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060730373 836670862 /nfs/dbraw/zinc/67/08/62/836670862.db2.gz JCIPXYZCQGDCER-KBUPBQIOSA-N 1 1 354.451 0.783 20 5 FCBDMO CCC[N@@H+](C)CC(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001061005438 836677743 /nfs/dbraw/zinc/67/77/43/836677743.db2.gz AQJZQVSOIIUDCW-ZIAGYGMSSA-N 1 1 352.435 0.444 20 5 FCBDMO CCC[N@H+](C)CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001061005438 836677747 /nfs/dbraw/zinc/67/77/47/836677747.db2.gz AQJZQVSOIIUDCW-ZIAGYGMSSA-N 1 1 352.435 0.444 20 5 FCBDMO CCC[N@@H+](C)CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001061005438 836677751 /nfs/dbraw/zinc/67/77/51/836677751.db2.gz AQJZQVSOIIUDCW-ZIAGYGMSSA-N 1 1 352.435 0.444 20 5 FCBDMO CC(C)(C)n1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086082734 842117907 /nfs/dbraw/zinc/11/79/07/842117907.db2.gz BUQNPEORCOIDHL-WRWGMCAJSA-N 1 1 351.411 0.078 20 5 FCBDMO CCOCC[NH+]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CCOC)CC1 ZINC001122334649 848493078 /nfs/dbraw/zinc/49/30/78/848493078.db2.gz RLFFCWMKFBXRQE-ZDUSSCGKSA-N 1 1 356.427 0.421 20 5 FCBDMO COc1ccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1Cl ZINC001126936490 848713389 /nfs/dbraw/zinc/71/33/89/848713389.db2.gz LDJARMAGZUENOR-ZYHUDNBSSA-N 1 1 370.793 0.658 20 5 FCBDMO CN(Cc1cccs1)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775567 849994696 /nfs/dbraw/zinc/99/46/96/849994696.db2.gz QTERWFGYROLGLE-CHWSQXEVSA-N 1 1 354.432 0.468 20 5 FCBDMO CN(C)S(=O)(=O)N1CC[C@@H]2C[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]2C1 ZINC001169023591 850603124 /nfs/dbraw/zinc/60/31/24/850603124.db2.gz PCIRDQUKHBOSBJ-XGUBFFRZSA-N 1 1 360.480 0.492 20 5 FCBDMO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1C(N)=O ZINC001169038268 850603182 /nfs/dbraw/zinc/60/31/82/850603182.db2.gz XNOLTNOMGTYFIE-YNEHKIRRSA-N 1 1 356.423 0.838 20 5 FCBDMO CC[C@](N)(CO)[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173694638 850734346 /nfs/dbraw/zinc/73/43/46/850734346.db2.gz YTROZRXLSSIHIE-OAHLLOKOSA-N 1 1 372.447 0.395 20 5 FCBDMO CC(C)(C)CNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205230946 853602274 /nfs/dbraw/zinc/60/22/74/853602274.db2.gz ZOVLPCNACQFIKS-ZIAGYGMSSA-N 1 1 354.451 0.642 20 5 FCBDMO COc1cc(N2CCC([N@H+]3C[C@H](O)[C@@H](CO)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093095 858052921 /nfs/dbraw/zinc/05/29/21/858052921.db2.gz GIVIMBAJDACOMM-WBMJQRKESA-N 1 1 351.403 0.857 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC001325844319 870056619 /nfs/dbraw/zinc/05/66/19/870056619.db2.gz QCPPOKFXZBRODZ-XJKSGUPXSA-N 1 1 353.423 0.243 20 5 FCBDMO O=[N+]([O-])CCCc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC1CC1 ZINC001345804345 871496745 /nfs/dbraw/zinc/49/67/45/871496745.db2.gz BZTVXTLBOAMPNJ-CQSZACIVSA-N 1 1 350.423 0.418 20 5 FCBDMO O=[N+]([O-])CCCc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC1CC1 ZINC001345804345 871496772 /nfs/dbraw/zinc/49/67/72/871496772.db2.gz BZTVXTLBOAMPNJ-CQSZACIVSA-N 1 1 350.423 0.418 20 5 FCBDMO CS(=O)(=O)C[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000292092378 214076363 /nfs/dbraw/zinc/07/63/63/214076363.db2.gz DJRCEPFXOBSUEP-JSGCOSHPSA-N 1 1 358.416 0.701 20 5 FCBDMO CS(=O)(=O)C[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000292092378 214076367 /nfs/dbraw/zinc/07/63/67/214076367.db2.gz DJRCEPFXOBSUEP-JSGCOSHPSA-N 1 1 358.416 0.701 20 5 FCBDMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000294570334 214253357 /nfs/dbraw/zinc/25/33/57/214253357.db2.gz NYPHJWLIAGYIJM-HNNXBMFYSA-N 1 1 362.386 0.210 20 5 FCBDMO C[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000294570334 214253360 /nfs/dbraw/zinc/25/33/60/214253360.db2.gz NYPHJWLIAGYIJM-HNNXBMFYSA-N 1 1 362.386 0.210 20 5 FCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000294684897 214259359 /nfs/dbraw/zinc/25/93/59/214259359.db2.gz SBSZNOGEXZWRCH-CQSZACIVSA-N 1 1 358.402 0.961 20 5 FCBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000295290730 214289190 /nfs/dbraw/zinc/28/91/90/214289190.db2.gz NIUMRFCKDUWIIZ-CQSZACIVSA-N 1 1 357.432 0.861 20 5 FCBDMO CNC(=O)C[NH+]1CCC(Nc2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000296572435 214356245 /nfs/dbraw/zinc/35/62/45/214356245.db2.gz QNKDMKFUDPYSER-UHFFFAOYSA-N 1 1 364.402 0.933 20 5 FCBDMO COCC[N@@H+](C)CCNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296750139 214362087 /nfs/dbraw/zinc/36/20/87/214362087.db2.gz VVFMZQWNBXJLNS-UHFFFAOYSA-N 1 1 366.422 0.400 20 5 FCBDMO CNS(=O)(=O)c1ccc(NC[C@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000265628877 210181628 /nfs/dbraw/zinc/18/16/28/210181628.db2.gz ZVLNJNBYZNOJOU-LBPRGKRZSA-N 1 1 372.447 0.883 20 5 FCBDMO C[C@H](CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)C[NH+]1CCOCC1 ZINC000265589202 210173049 /nfs/dbraw/zinc/17/30/49/210173049.db2.gz PCJNCCJZPKGYAT-LLVKDONJSA-N 1 1 358.420 0.622 20 5 FCBDMO COc1ccc(C(=O)NCC(=O)NC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000265552525 210164319 /nfs/dbraw/zinc/16/43/19/210164319.db2.gz TVZOFIYHKGCNTG-LLVKDONJSA-N 1 1 350.375 0.401 20 5 FCBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000265378944 210113401 /nfs/dbraw/zinc/11/34/01/210113401.db2.gz QREZHWLSCCTJKP-DZGCQCFKSA-N 1 1 355.416 0.182 20 5 FCBDMO Cc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1[N+](=O)[O-] ZINC000265213328 210073391 /nfs/dbraw/zinc/07/33/91/210073391.db2.gz FABYOUTVYZAJGF-GDBMZVCRSA-N 1 1 369.443 0.491 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000265050809 210045860 /nfs/dbraw/zinc/04/58/60/210045860.db2.gz OIMQSHBMNLZKQU-UHFFFAOYSA-N 1 1 352.439 0.490 20 5 FCBDMO C[NH+]1CCN(C(=O)CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000265037030 210042968 /nfs/dbraw/zinc/04/29/68/210042968.db2.gz LJCFPYOEDPUZKO-UHFFFAOYSA-N 1 1 366.443 0.967 20 5 FCBDMO CCOCC[NH+]1CCN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000264895201 210009332 /nfs/dbraw/zinc/00/93/32/210009332.db2.gz UVADWOYJSIALFW-UHFFFAOYSA-N 1 1 372.447 0.661 20 5 FCBDMO COCC[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000264864705 210003668 /nfs/dbraw/zinc/00/36/68/210003668.db2.gz FPOWOXUMJRZNPH-UHFFFAOYSA-N 1 1 353.375 0.773 20 5 FCBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c([N+](=O)[O-])c1 ZINC000411958381 237123099 /nfs/dbraw/zinc/12/30/99/237123099.db2.gz UDWGBHJFLTZSPR-NSHDSACASA-N 1 1 350.375 0.952 20 5 FCBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](C(=O)N(C)C)C2)c([N+](=O)[O-])c1 ZINC000411958381 237123109 /nfs/dbraw/zinc/12/31/09/237123109.db2.gz UDWGBHJFLTZSPR-NSHDSACASA-N 1 1 350.375 0.952 20 5 FCBDMO C[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1CC[NH+](C)CC1 ZINC000194670626 209328925 /nfs/dbraw/zinc/32/89/25/209328925.db2.gz YQESKHQQRNYBAF-OAHLLOKOSA-N 1 1 361.446 0.879 20 5 FCBDMO Nc1c(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc(F)cc1[N+](=O)[O-] ZINC000368666553 216278033 /nfs/dbraw/zinc/27/80/33/216278033.db2.gz FBSDVDAHFZQLDK-JSGCOSHPSA-N 1 1 352.366 0.987 20 5 FCBDMO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CC[NH2+]CC1 ZINC000236616021 209341315 /nfs/dbraw/zinc/34/13/15/209341315.db2.gz PKJCKIDMBOIQQE-UHFFFAOYSA-N 1 1 350.194 0.951 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188672582 209234691 /nfs/dbraw/zinc/23/46/91/209234691.db2.gz HLINGANAYNZXNE-GFCCVEGCSA-N 1 1 353.423 0.793 20 5 FCBDMO C[C@@H](O)C[NH+]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000186788103 209198960 /nfs/dbraw/zinc/19/89/60/209198960.db2.gz NXHJKCMCKJYMEO-CYBMUJFWSA-N 1 1 359.386 0.919 20 5 FCBDMO C[C@H](O)C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](C)CO ZINC000276176618 212179202 /nfs/dbraw/zinc/17/92/02/212179202.db2.gz JNSYUKIQBYPWPB-UWVGGRQHSA-N 1 1 355.347 0.326 20 5 FCBDMO C[C@H](O)C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](C)CO ZINC000276176618 212179206 /nfs/dbraw/zinc/17/92/06/212179206.db2.gz JNSYUKIQBYPWPB-UWVGGRQHSA-N 1 1 355.347 0.326 20 5 FCBDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000275642721 212066019 /nfs/dbraw/zinc/06/60/19/212066019.db2.gz KKRPGOCWCOOPPB-NSHDSACASA-N 1 1 359.404 0.602 20 5 FCBDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000275642721 212066021 /nfs/dbraw/zinc/06/60/21/212066021.db2.gz KKRPGOCWCOOPPB-NSHDSACASA-N 1 1 359.404 0.602 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000275439750 212028138 /nfs/dbraw/zinc/02/81/38/212028138.db2.gz IYQGFCGUCSGJAZ-CHWSQXEVSA-N 1 1 366.418 0.929 20 5 FCBDMO C[C@@H](O)C[NH+]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000275440203 212027785 /nfs/dbraw/zinc/02/77/85/212027785.db2.gz JJMJHSOGBJCYNI-LLVKDONJSA-N 1 1 366.374 0.260 20 5 FCBDMO COc1ccc(NC(=O)CN2CC[NH+](C[C@@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000275428819 212025640 /nfs/dbraw/zinc/02/56/40/212025640.db2.gz HJSNRUPLQCSFLJ-GFCCVEGCSA-N 1 1 352.391 0.540 20 5 FCBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000373675071 217043745 /nfs/dbraw/zinc/04/37/45/217043745.db2.gz RGTSDYFLOLPJPS-RYUDHWBXSA-N 1 1 356.404 0.517 20 5 FCBDMO C[C@H](O)C[NH+]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000275127183 211967361 /nfs/dbraw/zinc/96/73/61/211967361.db2.gz JHVMCRJBPJOJKC-LBPRGKRZSA-N 1 1 351.359 0.311 20 5 FCBDMO Cn1cc(N2CC[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000182250898 209129931 /nfs/dbraw/zinc/12/99/31/209129931.db2.gz WBOCVCAEGNMINX-HNNXBMFYSA-N 1 1 361.402 0.890 20 5 FCBDMO C[C@@H]1C[C@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[N@H+]1C1CC1 ZINC000440930412 248224586 /nfs/dbraw/zinc/22/45/86/248224586.db2.gz UJLLQLDKYBTDIW-MNOVXSKESA-N 1 1 372.381 0.932 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000440499687 248191176 /nfs/dbraw/zinc/19/11/76/248191176.db2.gz BDKQDVVJSNQIDY-GOSISDBHSA-N 1 1 373.413 0.853 20 5 FCBDMO COc1cccc(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000444178432 248349773 /nfs/dbraw/zinc/34/97/73/248349773.db2.gz AKVXUZKCHQUTIM-LBPRGKRZSA-N 1 1 350.375 0.673 20 5 FCBDMO Cc1c(NC(=O)CC[NH+]2CCN(C(=O)[C@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000270822118 211276080 /nfs/dbraw/zinc/27/60/80/211276080.db2.gz BHWVTLVRBQCVEK-ZDUSSCGKSA-N 1 1 364.402 0.757 20 5 FCBDMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000270560842 211222725 /nfs/dbraw/zinc/22/27/25/211222725.db2.gz KIDQCPGJFGFSBN-LBPRGKRZSA-N 1 1 358.420 0.018 20 5 FCBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000270573108 211225056 /nfs/dbraw/zinc/22/50/56/211225056.db2.gz BVUVNACVQNTTPT-JKSUJKDBSA-N 1 1 373.413 0.791 20 5 FCBDMO CN1CC[NH+](CCCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472563347 250160350 /nfs/dbraw/zinc/16/03/50/250160350.db2.gz OFFOEFNALBKTDH-UHFFFAOYSA-N 1 1 367.381 0.426 20 5 FCBDMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472609149 250166257 /nfs/dbraw/zinc/16/62/57/250166257.db2.gz BRHWFAJDJGERBG-UHFFFAOYSA-N 1 1 368.365 0.588 20 5 FCBDMO COC(=O)COc1ccc(C[NH2+][C@@H](CO)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000474004284 250262940 /nfs/dbraw/zinc/26/29/40/250262940.db2.gz DRRXNJOWZBSUJN-ZDUSSCGKSA-N 1 1 364.358 0.703 20 5 FCBDMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000269605279 211020821 /nfs/dbraw/zinc/02/08/21/211020821.db2.gz WYMHOQCNVZRQAA-UHFFFAOYSA-N 1 1 369.378 0.978 20 5 FCBDMO COC(=O)[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000411904214 533003529 /nfs/dbraw/zinc/00/35/29/533003529.db2.gz AFIPQDCFAANTIM-CYBMUJFWSA-N 1 1 364.402 0.960 20 5 FCBDMO COC(=O)[C@@H]1CN(C)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000411904214 533003531 /nfs/dbraw/zinc/00/35/31/533003531.db2.gz AFIPQDCFAANTIM-CYBMUJFWSA-N 1 1 364.402 0.960 20 5 FCBDMO COC(=O)[C@@H]1CN(C)CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000411904214 533003536 /nfs/dbraw/zinc/00/35/36/533003536.db2.gz AFIPQDCFAANTIM-CYBMUJFWSA-N 1 1 364.402 0.960 20 5 FCBDMO COC(=O)[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)C1 ZINC000411907676 533004923 /nfs/dbraw/zinc/00/49/23/533004923.db2.gz DDHIZGPBLVPMAN-CYBMUJFWSA-N 1 1 364.402 0.594 20 5 FCBDMO C[C@H](c1cccnc1)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075766906 208063363 /nfs/dbraw/zinc/06/33/63/208063363.db2.gz NERKESZYFCGXMH-RHSMWYFYSA-N 1 1 360.418 0.926 20 5 FCBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCN(S(C)(=O)=O)CC1 ZINC000090552323 208129878 /nfs/dbraw/zinc/12/98/78/208129878.db2.gz SQKJIGCHAPUYQF-UHFFFAOYSA-N 1 1 358.420 0.112 20 5 FCBDMO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090559621 208130849 /nfs/dbraw/zinc/13/08/49/208130849.db2.gz FXOJDJJGTGYCAJ-CYBMUJFWSA-N 1 1 358.420 0.159 20 5 FCBDMO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090559621 208130852 /nfs/dbraw/zinc/13/08/52/208130852.db2.gz FXOJDJJGTGYCAJ-CYBMUJFWSA-N 1 1 358.420 0.159 20 5 FCBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000119810222 208368811 /nfs/dbraw/zinc/36/88/11/208368811.db2.gz ZODOLWHNSRNLNA-OAHLLOKOSA-N 1 1 359.386 0.327 20 5 FCBDMO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000266757737 210398131 /nfs/dbraw/zinc/39/81/31/210398131.db2.gz SGJWNQGOQMDDFA-JGGQBBKZSA-N 1 1 369.443 0.743 20 5 FCBDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000266709206 210386629 /nfs/dbraw/zinc/38/66/29/210386629.db2.gz XVEOBMIPEXGDLS-ZDUSSCGKSA-N 1 1 350.375 0.679 20 5 FCBDMO C[C@@H]1C[C@@H](NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000180942273 209105339 /nfs/dbraw/zinc/10/53/39/209105339.db2.gz HQRQZKYCWFEUNQ-OLZOCXBDSA-N 1 1 356.448 0.945 20 5 FCBDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000266521826 210349118 /nfs/dbraw/zinc/34/91/18/210349118.db2.gz AQMDCQGCCYEZGA-LLVKDONJSA-N 1 1 366.374 0.379 20 5 FCBDMO COCCC[N@@H+](C)CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000266492780 210345931 /nfs/dbraw/zinc/34/59/31/210345931.db2.gz JLMYJUDFJCRLLY-UHFFFAOYSA-N 1 1 352.391 0.409 20 5 FCBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1F ZINC000412268001 533215442 /nfs/dbraw/zinc/21/54/42/533215442.db2.gz HSMGVTHMVWFLPZ-LLVKDONJSA-N 1 1 355.366 0.810 20 5 FCBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1F ZINC000412268001 533215446 /nfs/dbraw/zinc/21/54/46/533215446.db2.gz HSMGVTHMVWFLPZ-LLVKDONJSA-N 1 1 355.366 0.810 20 5 FCBDMO COC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)C1 ZINC000411921802 533489938 /nfs/dbraw/zinc/48/99/38/533489938.db2.gz SLXMFTJERHTCAO-STQMWFEESA-N 1 1 364.402 0.958 20 5 FCBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2cnc[nH]2)CC1 ZINC000179538915 209082344 /nfs/dbraw/zinc/08/23/44/209082344.db2.gz QCDZLMMSHZKHBV-UHFFFAOYSA-N 1 1 351.388 0.824 20 5 FCBDMO COc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000363690265 488873807 /nfs/dbraw/zinc/87/38/07/488873807.db2.gz IDFGNPAAXZERRR-DGCLKSJQSA-N 1 1 371.415 0.745 20 5 FCBDMO COc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000363690265 488873810 /nfs/dbraw/zinc/87/38/10/488873810.db2.gz IDFGNPAAXZERRR-DGCLKSJQSA-N 1 1 371.415 0.745 20 5 FCBDMO COCC[NH+]1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278805829 488897382 /nfs/dbraw/zinc/89/73/82/488897382.db2.gz YBOKJSNPNJVZRV-UHFFFAOYSA-N 1 1 362.390 0.945 20 5 FCBDMO COc1ccc(NC(=O)CC[NH+]2CCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000041886339 487844999 /nfs/dbraw/zinc/84/49/99/487844999.db2.gz DRLQKVIJDLIGEN-UHFFFAOYSA-N 1 1 352.391 0.542 20 5 FCBDMO CC1(C)C[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1O ZINC000279711313 488963172 /nfs/dbraw/zinc/96/31/72/488963172.db2.gz HYZQTZKFDKTISW-INIZCTEOSA-N 1 1 362.430 0.946 20 5 FCBDMO Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000048599859 488076397 /nfs/dbraw/zinc/07/63/97/488076397.db2.gz BGAMFTMSYIFLGP-UHFFFAOYSA-N 1 1 350.375 0.680 20 5 FCBDMO CC[N@H+]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000288311616 488968853 /nfs/dbraw/zinc/96/88/53/488968853.db2.gz HOROJSGABGOXAO-LBPRGKRZSA-N 1 1 370.431 0.426 20 5 FCBDMO C[C@@H](CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000057705643 488274308 /nfs/dbraw/zinc/27/43/08/488274308.db2.gz RMTLPHSJCLDWQK-LBPRGKRZSA-N 1 1 363.418 0.993 20 5 FCBDMO C[C@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[N@@H+](C)C1CC1 ZINC000057716014 488274368 /nfs/dbraw/zinc/27/43/68/488274368.db2.gz JLCSGDGPHALTFB-LLVKDONJSA-N 1 1 362.386 0.919 20 5 FCBDMO O=C(CN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 ZINC000059385660 488287955 /nfs/dbraw/zinc/28/79/55/488287955.db2.gz LCVWLTWPSHFRME-UHFFFAOYSA-N 1 1 362.430 0.614 20 5 FCBDMO CN1CC[NH+](CCCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067246181 488346225 /nfs/dbraw/zinc/34/62/25/488346225.db2.gz SLGZBNGJZHBCNP-UHFFFAOYSA-N 1 1 373.417 0.543 20 5 FCBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000068467657 488365816 /nfs/dbraw/zinc/36/58/16/488365816.db2.gz XGJCGYZHZPIFSL-CYBMUJFWSA-N 1 1 352.439 0.490 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000074138949 488387806 /nfs/dbraw/zinc/38/78/06/488387806.db2.gz PYHQBZQUWCBOTE-UHFFFAOYSA-N 1 1 366.466 0.880 20 5 FCBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000076454071 488405198 /nfs/dbraw/zinc/40/51/98/488405198.db2.gz VKQNCOCYFSGYGO-AWEZNQCLSA-N 1 1 366.422 0.240 20 5 FCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000268477701 488422674 /nfs/dbraw/zinc/42/26/74/488422674.db2.gz RLTOUZPZRTVUTN-BXUZGUMPSA-N 1 1 350.375 0.806 20 5 FCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000268477701 488422676 /nfs/dbraw/zinc/42/26/76/488422676.db2.gz RLTOUZPZRTVUTN-BXUZGUMPSA-N 1 1 350.375 0.806 20 5 FCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000245871428 488466805 /nfs/dbraw/zinc/46/68/05/488466805.db2.gz GWIPBERGLLEFOC-GJZGRUSLSA-N 1 1 373.413 0.941 20 5 FCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000269137911 488472785 /nfs/dbraw/zinc/47/27/85/488472785.db2.gz KODAIQVKZNNKET-MRXNPFEDSA-N 1 1 359.386 0.809 20 5 FCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000269137911 488472788 /nfs/dbraw/zinc/47/27/88/488472788.db2.gz KODAIQVKZNNKET-MRXNPFEDSA-N 1 1 359.386 0.809 20 5 FCBDMO C[C@H](O)C[N@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249529094 488511739 /nfs/dbraw/zinc/51/17/39/488511739.db2.gz ZTBWNGUGMZJKBS-OFQRWUPVSA-N 1 1 353.419 0.721 20 5 FCBDMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000250152327 488515646 /nfs/dbraw/zinc/51/56/46/488515646.db2.gz YKEVKFSBNYKNMV-MGPQQGTHSA-N 1 1 351.407 0.892 20 5 FCBDMO CC(C)[N@@H+](C)CC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000109310792 488522756 /nfs/dbraw/zinc/52/27/56/488522756.db2.gz SGFXVHDGUYTFOI-UHFFFAOYSA-N 1 1 372.447 0.867 20 5 FCBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000261689311 488530747 /nfs/dbraw/zinc/53/07/47/488530747.db2.gz IDLDWDGHVADMNE-CYBMUJFWSA-N 1 1 355.358 0.991 20 5 FCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000271698258 488539788 /nfs/dbraw/zinc/53/97/88/488539788.db2.gz GVHJXCFAFLZHKE-NSHDSACASA-N 1 1 350.375 0.886 20 5 FCBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000271698258 488539790 /nfs/dbraw/zinc/53/97/90/488539790.db2.gz GVHJXCFAFLZHKE-NSHDSACASA-N 1 1 350.375 0.886 20 5 FCBDMO COc1cc(CCNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000261952226 488542928 /nfs/dbraw/zinc/54/29/28/488542928.db2.gz OMAAXBUXYHYNIW-BMIGLBTASA-N 1 1 353.375 0.648 20 5 FCBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000262620014 488581970 /nfs/dbraw/zinc/58/19/70/488581970.db2.gz CLJBBASNERYXJY-ZDUSSCGKSA-N 1 1 350.400 0.542 20 5 FCBDMO C[C@H]1C[N@@H+](CCCNS(=O)(=O)c2cccnc2[N+](=O)[O-])CCCO1 ZINC000570026817 491210615 /nfs/dbraw/zinc/21/06/15/491210615.db2.gz BMVSWYNNLJDASP-LBPRGKRZSA-N 1 1 358.420 0.769 20 5 FCBDMO C[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1=CC[N@@H+](C)CC1 ZINC000272744163 488602785 /nfs/dbraw/zinc/60/27/85/488602785.db2.gz DBXFGUBDPWIZFY-NSHDSACASA-N 1 1 372.381 0.957 20 5 FCBDMO Cc1c(CC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000126585599 488609808 /nfs/dbraw/zinc/60/98/08/488609808.db2.gz BJAQAJKPOSTXSA-KRWDZBQOSA-N 1 1 351.403 0.645 20 5 FCBDMO COCC[N@@H+](C)CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000263741029 488623483 /nfs/dbraw/zinc/62/34/83/488623483.db2.gz INRDJTUOXCPKDD-UHFFFAOYSA-N 1 1 352.391 0.409 20 5 FCBDMO COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000273006536 488624878 /nfs/dbraw/zinc/62/48/78/488624878.db2.gz QNPLRIJLHBBCET-BLLLJJGKSA-N 1 1 362.386 0.925 20 5 FCBDMO O=C1CCN(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000273098633 488631662 /nfs/dbraw/zinc/63/16/62/488631662.db2.gz PIQLQHHXWGPJPG-UHFFFAOYSA-N 1 1 356.404 0.085 20 5 FCBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H](C(N)=O)O1 ZINC000273204371 488637515 /nfs/dbraw/zinc/63/75/15/488637515.db2.gz SNLOAUTXFRIOKU-NOZJJQNGSA-N 1 1 354.338 0.637 20 5 FCBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H](C(N)=O)O1 ZINC000273204371 488637517 /nfs/dbraw/zinc/63/75/17/488637517.db2.gz SNLOAUTXFRIOKU-NOZJJQNGSA-N 1 1 354.338 0.637 20 5 FCBDMO CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273241354 488639812 /nfs/dbraw/zinc/63/98/12/488639812.db2.gz XIRQHCMRSYHBGI-CHWSQXEVSA-N 1 1 373.431 0.348 20 5 FCBDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273241354 488639814 /nfs/dbraw/zinc/63/98/14/488639814.db2.gz XIRQHCMRSYHBGI-CHWSQXEVSA-N 1 1 373.431 0.348 20 5 FCBDMO C[NH+]1CCC(NC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000273264573 488641134 /nfs/dbraw/zinc/64/11/34/488641134.db2.gz IVUGLTZLKZKZBJ-UHFFFAOYSA-N 1 1 370.431 0.762 20 5 FCBDMO CN(C)c1[nH+]cc(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])n1C ZINC000273456644 488652374 /nfs/dbraw/zinc/65/23/74/488652374.db2.gz HGBZZGNSDWOBNM-UHFFFAOYSA-N 1 1 354.392 0.654 20 5 FCBDMO CC(C)(C(=O)NCCCC[N@H+]1CCC[C@@H]1CO)n1cc([N+](=O)[O-])cn1 ZINC000134002557 488663861 /nfs/dbraw/zinc/66/38/61/488663861.db2.gz UUIWEUCZSDSLEE-CYBMUJFWSA-N 1 1 353.423 0.880 20 5 FCBDMO CCCNC(=O)C[C@@H](C(N)=O)[N@@H+](CCC)CCn1ccc([N+](=O)[O-])n1 ZINC000273870680 488673312 /nfs/dbraw/zinc/67/33/12/488673312.db2.gz QBOMZBXXUZKHRN-LBPRGKRZSA-N 1 1 354.411 0.274 20 5 FCBDMO COCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000264445398 488674434 /nfs/dbraw/zinc/67/44/34/488674434.db2.gz CFEDIOSNFJUQJX-ZDUSSCGKSA-N 1 1 360.374 0.626 20 5 FCBDMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000264613720 488690437 /nfs/dbraw/zinc/69/04/37/488690437.db2.gz HIPDOIVSKPMJFO-LLVKDONJSA-N 1 1 372.381 0.791 20 5 FCBDMO COC(=O)CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(OC)OC ZINC000274307000 488697279 /nfs/dbraw/zinc/69/72/79/488697279.db2.gz LGFHAFCSFGDBDM-UHFFFAOYSA-N 1 1 357.363 0.241 20 5 FCBDMO COC(=O)CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(OC)OC ZINC000274307000 488697281 /nfs/dbraw/zinc/69/72/81/488697281.db2.gz LGFHAFCSFGDBDM-UHFFFAOYSA-N 1 1 357.363 0.241 20 5 FCBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000152586428 488719732 /nfs/dbraw/zinc/71/97/32/488719732.db2.gz MKKOAMKVWVRZAX-MRXNPFEDSA-N 1 1 360.414 0.902 20 5 FCBDMO NS(=O)(=O)c1ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000266208016 488725136 /nfs/dbraw/zinc/72/51/36/488725136.db2.gz FNTNBIBATLEJFU-GFCCVEGCSA-N 1 1 370.431 0.401 20 5 FCBDMO COc1cc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc([N+](=O)[O-])c1OC ZINC000275168008 488768348 /nfs/dbraw/zinc/76/83/48/488768348.db2.gz WHVAAEFZYPUHKE-NSHDSACASA-N 1 1 353.375 0.751 20 5 FCBDMO C[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C[NH+]1CCN(C)CC1 ZINC000158064823 488775388 /nfs/dbraw/zinc/77/53/88/488775388.db2.gz OLEIBVUUZDQTBD-CQSZACIVSA-N 1 1 370.475 0.898 20 5 FCBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(CN2CCOCC2)CC1 ZINC000159755992 488787460 /nfs/dbraw/zinc/78/74/60/488787460.db2.gz ZFRPCAJUYSVPIQ-UHFFFAOYSA-N 1 1 350.419 0.801 20 5 FCBDMO COc1ccc(OCC[N@@H+](C)C[C@H](O)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000267646678 488809211 /nfs/dbraw/zinc/80/92/11/488809211.db2.gz WWOXUVKQZGTFDS-AWEZNQCLSA-N 1 1 369.418 0.607 20 5 FCBDMO Cc1cc(OCC(=O)NCCC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000280434689 489007739 /nfs/dbraw/zinc/00/77/39/489007739.db2.gz CQABMKLUSFJMSY-UHFFFAOYSA-N 1 1 364.402 0.562 20 5 FCBDMO C[N@@H+](CCn1cc(Br)cn1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000288779904 489014898 /nfs/dbraw/zinc/01/48/98/489014898.db2.gz KHFZQGYXNFYFEX-LBPRGKRZSA-N 1 1 373.211 0.743 20 5 FCBDMO CNC(=O)[C@@]1(C)CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000280661064 489023398 /nfs/dbraw/zinc/02/33/98/489023398.db2.gz DTZITGODWKZWPP-HNNXBMFYSA-N 1 1 355.416 0.827 20 5 FCBDMO CNC(=O)[C@@]1(C)CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000280661064 489023402 /nfs/dbraw/zinc/02/34/02/489023402.db2.gz DTZITGODWKZWPP-HNNXBMFYSA-N 1 1 355.416 0.827 20 5 FCBDMO C[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000280935926 489042016 /nfs/dbraw/zinc/04/20/16/489042016.db2.gz KYCSPMKXLOYNFU-NSHDSACASA-N 1 1 370.431 0.472 20 5 FCBDMO CC[NH+]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000281219285 489061466 /nfs/dbraw/zinc/06/14/66/489061466.db2.gz REYQBZCUQDQFFJ-UHFFFAOYSA-N 1 1 356.404 0.037 20 5 FCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000281732678 489101906 /nfs/dbraw/zinc/10/19/06/489101906.db2.gz XXFLCPREXKEVIF-QWHCGFSZSA-N 1 1 374.401 0.703 20 5 FCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000281732678 489101909 /nfs/dbraw/zinc/10/19/09/489101909.db2.gz XXFLCPREXKEVIF-QWHCGFSZSA-N 1 1 374.401 0.703 20 5 FCBDMO C[N@H+]1CCN(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000282568844 489175968 /nfs/dbraw/zinc/17/59/68/489175968.db2.gz OTAMZXBAHKRIOU-UHFFFAOYSA-N 1 1 356.448 0.899 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000282843892 489193866 /nfs/dbraw/zinc/19/38/66/489193866.db2.gz AVYOQRSHWQFJOG-CHWSQXEVSA-N 1 1 366.418 0.929 20 5 FCBDMO C[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+]1CC(C)(C)O ZINC000331308419 489196554 /nfs/dbraw/zinc/19/65/54/489196554.db2.gz XHDHPVZQQXXMOB-GFCCVEGCSA-N 1 1 353.423 0.830 20 5 FCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCn3ccnc32)cc1 ZINC000297700958 489226562 /nfs/dbraw/zinc/22/65/62/489226562.db2.gz MHTUFJWIAAEVRS-CYBMUJFWSA-N 1 1 351.388 0.804 20 5 FCBDMO COC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369697692 489265890 /nfs/dbraw/zinc/26/58/90/489265890.db2.gz ZPESAIWPVIAKFM-LLVKDONJSA-N 1 1 368.394 0.289 20 5 FCBDMO CS(=O)(=O)N1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000298156585 489298216 /nfs/dbraw/zinc/29/82/16/489298216.db2.gz FOWUXHHTOVOUIM-CQSZACIVSA-N 1 1 373.431 0.302 20 5 FCBDMO CS(=O)(=O)N1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000298156585 489298219 /nfs/dbraw/zinc/29/82/19/489298219.db2.gz FOWUXHHTOVOUIM-CQSZACIVSA-N 1 1 373.431 0.302 20 5 FCBDMO COc1ccc(C(=O)NCC(=O)N2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000298275963 489310956 /nfs/dbraw/zinc/31/09/56/489310956.db2.gz NIQXZBDUVNXFHM-UHFFFAOYSA-N 1 1 350.375 0.497 20 5 FCBDMO Cc1[nH+]ccn1CCNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000286007028 489344848 /nfs/dbraw/zinc/34/48/48/489344848.db2.gz UOMDFBKGKNFWAP-UHFFFAOYSA-N 1 1 371.357 0.409 20 5 FCBDMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363026242 489413448 /nfs/dbraw/zinc/41/34/48/489413448.db2.gz AANDYLBOSKEXAO-RYUDHWBXSA-N 1 1 372.381 0.934 20 5 FCBDMO Cc1n[nH]c(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c1[N+](=O)[O-] ZINC000299432556 489441240 /nfs/dbraw/zinc/44/12/40/489441240.db2.gz FCHMUIKQZQPJPQ-UHFFFAOYSA-N 1 1 374.405 0.358 20 5 FCBDMO Nc1nc(NCCCN2CCN(c3cc[nH+]cc3)CC2)ncc1[N+](=O)[O-] ZINC000299567894 489456736 /nfs/dbraw/zinc/45/67/36/489456736.db2.gz OXQMBEWDMHDPCF-UHFFFAOYSA-N 1 1 358.406 0.986 20 5 FCBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000371359656 489480425 /nfs/dbraw/zinc/48/04/25/489480425.db2.gz KXGVFVVGOAYYDY-TZMCWYRMSA-N 1 1 364.450 0.978 20 5 FCBDMO O=C(CN1CC[NH+]([C@H]2CCOC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000371372331 489481901 /nfs/dbraw/zinc/48/19/01/489481901.db2.gz WHHQQWBLGWEMIN-INIZCTEOSA-N 1 1 360.414 0.890 20 5 FCBDMO Cc1cc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])nn1C ZINC000414391592 489497643 /nfs/dbraw/zinc/49/76/43/489497643.db2.gz LFZOGMPRPYBXRD-UHFFFAOYSA-N 1 1 353.404 0.705 20 5 FCBDMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC[N@@H+]1C[C@H](C)O ZINC000455784555 489600276 /nfs/dbraw/zinc/60/02/76/489600276.db2.gz IJGJQTIDYJHOPF-RYUDHWBXSA-N 1 1 351.407 0.949 20 5 FCBDMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC[N@H+]1C[C@H](C)O ZINC000455784555 489600279 /nfs/dbraw/zinc/60/02/79/489600279.db2.gz IJGJQTIDYJHOPF-RYUDHWBXSA-N 1 1 351.407 0.949 20 5 FCBDMO CNc1nc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000455981404 489604048 /nfs/dbraw/zinc/60/40/48/489604048.db2.gz DJYGDKGEGXPVNS-GFCCVEGCSA-N 1 1 351.407 0.998 20 5 FCBDMO CNc1nc(C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000455989547 489604060 /nfs/dbraw/zinc/60/40/60/489604060.db2.gz GFTPOFMUXMCYHC-NSHDSACASA-N 1 1 365.390 0.741 20 5 FCBDMO CNc1nc(C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000455989547 489604064 /nfs/dbraw/zinc/60/40/64/489604064.db2.gz GFTPOFMUXMCYHC-NSHDSACASA-N 1 1 365.390 0.741 20 5 FCBDMO COC(=O)CN1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000475310664 489820163 /nfs/dbraw/zinc/82/01/63/489820163.db2.gz DQHSGOWFBNUXBH-CYBMUJFWSA-N 1 1 353.375 0.125 20 5 FCBDMO CC(C)c1n[nH]c(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000433932728 489905734 /nfs/dbraw/zinc/90/57/34/489905734.db2.gz SONHGVZRUVSFCL-NSHDSACASA-N 1 1 366.422 0.759 20 5 FCBDMO 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/nfs/dbraw/zinc/41/35/71/490413571.db2.gz YJTRPNNKOQHYCM-XHDPSFHLSA-N 1 1 356.402 0.987 20 5 FCBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000411359743 490438342 /nfs/dbraw/zinc/43/83/42/490438342.db2.gz VMMDCBORZSBWFH-MRXNPFEDSA-N 1 1 350.375 0.333 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413907121 490512228 /nfs/dbraw/zinc/51/22/28/490512228.db2.gz SOGZNDAVSOCXBG-NSHDSACASA-N 1 1 351.359 0.780 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413907121 490512234 /nfs/dbraw/zinc/51/22/34/490512234.db2.gz SOGZNDAVSOCXBG-NSHDSACASA-N 1 1 351.359 0.780 20 5 FCBDMO C[C@](O)(CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)C[NH+]1CCOCC1 ZINC000535694727 490513528 /nfs/dbraw/zinc/51/35/28/490513528.db2.gz GKTPGWPINILWLX-KRWDZBQOSA-N 1 1 362.386 0.889 20 5 FCBDMO CCCc1n[nH]c(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000524633317 490547936 /nfs/dbraw/zinc/54/79/36/490547936.db2.gz 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C[C@@H]1C[C@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC[N@H+]1C ZINC000525616192 490614711 /nfs/dbraw/zinc/61/47/11/490614711.db2.gz LCHFKSYDJZHKOJ-GHMZBOCLSA-N 1 1 360.370 0.790 20 5 FCBDMO NC(=O)c1ccc(CN2CCC[C@H](N3CC[NH2+]CC3=O)C2)c([N+](=O)[O-])c1 ZINC000486456694 490631226 /nfs/dbraw/zinc/63/12/26/490631226.db2.gz DCIVURDVTUGQRO-AWEZNQCLSA-N 1 1 361.402 0.090 20 5 FCBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000550158282 490632346 /nfs/dbraw/zinc/63/23/46/490632346.db2.gz RPCJTMSZEWSCAH-NSHDSACASA-N 1 1 370.431 0.656 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(C(=O)CO)CC1 ZINC000503198852 490743842 /nfs/dbraw/zinc/74/38/42/490743842.db2.gz DCFWTELUIBGRMY-UHFFFAOYSA-N 1 1 366.374 0.069 20 5 FCBDMO COC(=O)COc1ccc(C[NH+]2C[C@H](OC)[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000488557887 490764504 /nfs/dbraw/zinc/76/45/04/490764504.db2.gz LWMJDGLEWSHWAI-GJZGRUSLSA-N 1 1 354.359 0.992 20 5 FCBDMO 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355.464 0.931 20 5 FCBDMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000597284111 492027193 /nfs/dbraw/zinc/02/71/93/492027193.db2.gz ZZYLSCYPQXOOEG-LLVKDONJSA-N 1 1 374.401 0.688 20 5 FCBDMO CC1(C)CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000614829114 492058196 /nfs/dbraw/zinc/05/81/96/492058196.db2.gz IKDMFVJCLFKDMI-UHFFFAOYSA-N 1 1 358.420 0.135 20 5 FCBDMO CC1(C)CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000614829114 492058197 /nfs/dbraw/zinc/05/81/97/492058197.db2.gz IKDMFVJCLFKDMI-UHFFFAOYSA-N 1 1 358.420 0.135 20 5 FCBDMO CN(C(=O)CN1CC[N@@H+](CCO)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000614920555 492063890 /nfs/dbraw/zinc/06/38/90/492063890.db2.gz KBTHUIPWRODPFB-UHFFFAOYSA-N 1 1 350.419 0.946 20 5 FCBDMO COCC[N@H+]1CC[C@@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598594481 492106839 /nfs/dbraw/zinc/10/68/39/492106839.db2.gz AAWCRHFAHGWRTB-GFCCVEGCSA-N 1 1 352.395 0.354 20 5 FCBDMO COc1cc(CNCCC[N@@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])cc1O ZINC000598990375 492128793 /nfs/dbraw/zinc/12/87/93/492128793.db2.gz MBNYFNPYFHVVFG-LBPRGKRZSA-N 1 1 352.391 0.738 20 5 FCBDMO COc1cc(CNCCC[N@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])cc1O ZINC000598990375 492128795 /nfs/dbraw/zinc/12/87/95/492128795.db2.gz MBNYFNPYFHVVFG-LBPRGKRZSA-N 1 1 352.391 0.738 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000608867028 492194772 /nfs/dbraw/zinc/19/47/72/492194772.db2.gz IVQTXQAZGOICIH-LBPRGKRZSA-N 1 1 364.402 0.921 20 5 FCBDMO COCC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000609282910 492203471 /nfs/dbraw/zinc/20/34/71/492203471.db2.gz HEDUIGWCHHDCMO-ZDUSSCGKSA-N 1 1 350.375 0.760 20 5 FCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000619251643 492256303 /nfs/dbraw/zinc/25/63/03/492256303.db2.gz IEUINBAKUFLPNJ-LBPRGKRZSA-N 1 1 372.385 0.785 20 5 FCBDMO O=[N+]([O-])c1ccc(N2CCN(c3nc(N4CCOCC4)cc[nH+]3)CC2)cn1 ZINC000610908888 492269097 /nfs/dbraw/zinc/26/90/97/492269097.db2.gz WVTKXISKAYMECW-UHFFFAOYSA-N 1 1 371.401 0.943 20 5 FCBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611516009 492289519 /nfs/dbraw/zinc/28/95/19/492289519.db2.gz MOYGFXYVVIRHPW-UHFFFAOYSA-N 1 1 365.386 0.895 20 5 FCBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425070910 536488538 /nfs/dbraw/zinc/48/85/38/536488538.db2.gz XNJDJKWPPVMODN-WCQYABFASA-N 1 1 368.415 0.408 20 5 FCBDMO C[C@H](CN1CCN(C)CC1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591736275 546939149 /nfs/dbraw/zinc/93/91/49/546939149.db2.gz NAKIGLFMBNLALW-HUUCEWRRSA-N 1 1 352.435 0.560 20 5 FCBDMO C[C@@H](CN1CCN(C)CC1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591736274 546939313 /nfs/dbraw/zinc/93/93/13/546939313.db2.gz NAKIGLFMBNLALW-GJZGRUSLSA-N 1 1 352.435 0.560 20 5 FCBDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000592388239 546949371 /nfs/dbraw/zinc/94/93/71/546949371.db2.gz DSBNQDLKEWWXGP-ZDUSSCGKSA-N 1 1 357.388 0.429 20 5 FCBDMO C[NH+](C)CCN1CCC(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000594290134 547381962 /nfs/dbraw/zinc/38/19/62/547381962.db2.gz JDKHVENMDIEBOS-UHFFFAOYSA-N 1 1 350.423 0.575 20 5 FCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000823629691 599051205 /nfs/dbraw/zinc/05/12/05/599051205.db2.gz FASVQIYBJUQZKS-GFCCVEGCSA-N 1 1 359.390 0.933 20 5 FCBDMO CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000973254396 664084179 /nfs/dbraw/zinc/08/41/79/664084179.db2.gz LSBNOZKRTSVPAO-KBUPBQIOSA-N 1 1 352.435 0.535 20 5 FCBDMO Cc1csc(=O)n1CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430441 665166663 /nfs/dbraw/zinc/16/66/63/665166663.db2.gz BNZVFMFSIMJLQC-ZIAGYGMSSA-N 1 1 368.459 0.806 20 5 FCBDMO Cc1csc(=O)n1CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985430441 665166666 /nfs/dbraw/zinc/16/66/66/665166666.db2.gz BNZVFMFSIMJLQC-ZIAGYGMSSA-N 1 1 368.459 0.806 20 5 FCBDMO Cc1csc(=O)n1CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985430441 665166667 /nfs/dbraw/zinc/16/66/67/665166667.db2.gz BNZVFMFSIMJLQC-ZIAGYGMSSA-N 1 1 368.459 0.806 20 5 FCBDMO COCCOc1cc([N+](=O)[O-])c(C(=O)NCC(F)(F)C[NH3+])cc1OC ZINC000262719461 665201922 /nfs/dbraw/zinc/20/19/22/665201922.db2.gz UTDBSZRSNKVDSS-UHFFFAOYSA-N 1 1 363.317 0.952 20 5 FCBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000915351514 666846990 /nfs/dbraw/zinc/84/69/90/666846990.db2.gz AVCXMKIVOGFLQQ-UHFFFAOYSA-N 1 1 370.431 0.298 20 5 FCBDMO CC(C)c1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1C ZINC000996428408 666921257 /nfs/dbraw/zinc/92/12/57/666921257.db2.gz BUPPADNGXWUSTP-CHWSQXEVSA-N 1 1 350.423 0.684 20 5 FCBDMO C[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)CO ZINC000736311478 667095481 /nfs/dbraw/zinc/09/54/81/667095481.db2.gz LDZXNFIBKCRIGC-UHFFFAOYSA-N 1 1 350.419 0.946 20 5 FCBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000920018483 667219839 /nfs/dbraw/zinc/21/98/39/667219839.db2.gz GTKYZBZMQZDZGU-GXTWGEPZSA-N 1 1 356.448 0.816 20 5 FCBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000920018483 667219843 /nfs/dbraw/zinc/21/98/43/667219843.db2.gz GTKYZBZMQZDZGU-GXTWGEPZSA-N 1 1 356.448 0.816 20 5 FCBDMO C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCN1C ZINC000920022516 667220732 /nfs/dbraw/zinc/22/07/32/667220732.db2.gz XACDNLZGIBFSCI-SWLSCSKDSA-N 1 1 356.448 0.649 20 5 FCBDMO C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000920022516 667220733 /nfs/dbraw/zinc/22/07/33/667220733.db2.gz XACDNLZGIBFSCI-SWLSCSKDSA-N 1 1 356.448 0.649 20 5 FCBDMO O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C12CCC[NH+](CCC1)C2 ZINC001002879320 667576665 /nfs/dbraw/zinc/57/66/65/667576665.db2.gz YBHCURIDTYOGEB-ZIAGYGMSSA-N 1 1 350.419 0.102 20 5 FCBDMO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000796549935 669107206 /nfs/dbraw/zinc/10/72/06/669107206.db2.gz RHUMGWMKBRWDOS-OCCSQVGLSA-N 1 1 355.395 0.705 20 5 FCBDMO C[C@@H]1CN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C[C@H](C)[N@@H+]1CCO ZINC000840133617 669560008 /nfs/dbraw/zinc/56/00/08/669560008.db2.gz FKDCMUOHPWSOIK-TXEJJXNPSA-N 1 1 350.375 0.847 20 5 FCBDMO CN(CC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)S(C)(=O)=O ZINC000813173854 669829873 /nfs/dbraw/zinc/82/98/73/669829873.db2.gz LJMVTRYERZWYJL-AWEZNQCLSA-N 1 1 371.415 0.604 20 5 FCBDMO CN(CC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)S(C)(=O)=O ZINC000813173854 669829878 /nfs/dbraw/zinc/82/98/78/669829878.db2.gz LJMVTRYERZWYJL-AWEZNQCLSA-N 1 1 371.415 0.604 20 5 FCBDMO O=[N+]([O-])c1ccc(Cl)c(CN2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)c1 ZINC000843054806 670771829 /nfs/dbraw/zinc/77/18/29/670771829.db2.gz IWXHEWYXQIGNNW-UHFFFAOYSA-N 1 1 374.850 0.667 20 5 FCBDMO COCCOCC[NH+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000844467417 670924972 /nfs/dbraw/zinc/92/49/72/670924972.db2.gz KIVRJKQJKKBRFY-QGZVFWFLSA-N 1 1 353.419 0.909 20 5 FCBDMO O=C1OCCN1[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000852434142 671506875 /nfs/dbraw/zinc/50/68/75/671506875.db2.gz JTFYQHRIYQVSMR-KGLIPLIRSA-N 1 1 351.359 0.861 20 5 FCBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000862118190 672028447 /nfs/dbraw/zinc/02/84/47/672028447.db2.gz AEAPXKPZSXPVMA-SNVBAGLBSA-N 1 1 356.766 0.370 20 5 FCBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000862207099 672038528 /nfs/dbraw/zinc/03/85/28/672038528.db2.gz ZHBOMDVMEUUHAV-JTQLQIEISA-N 1 1 354.338 0.164 20 5 FCBDMO O=C(NCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccoc1 ZINC001055516204 676022083 /nfs/dbraw/zinc/02/20/83/676022083.db2.gz XEZYHRVFOUJNPD-ZIAGYGMSSA-N 1 1 350.375 0.255 20 5 FCBDMO O=C(C[NH+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1)N1CCCC1 ZINC001050516805 676085276 /nfs/dbraw/zinc/08/52/76/676085276.db2.gz KFDQSQGGPVQCOK-ZIAGYGMSSA-N 1 1 350.419 0.198 20 5 FCBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccn(CC(F)(F)F)n2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139746 675435475 /nfs/dbraw/zinc/43/54/75/675435475.db2.gz MFVMIZFXFBYPJZ-DDHJBXDOSA-N 1 1 361.324 0.847 20 5 FCBDMO CS(=O)(=O)c1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001020139803 675435632 /nfs/dbraw/zinc/43/56/32/675435632.db2.gz NFZVDKUXAINTGK-QHSBEEBCSA-N 1 1 367.427 0.492 20 5 FCBDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119711375 675438514 /nfs/dbraw/zinc/43/85/14/675438514.db2.gz YYGXSGLQKBXFBD-UHFFFAOYSA-N 1 1 350.466 0.770 20 5 FCBDMO Cn1nncc1C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001048608532 675866590 /nfs/dbraw/zinc/86/65/90/675866590.db2.gz WXKCKKYQZOKGQG-QHSBEEBCSA-N 1 1 350.423 0.493 20 5 FCBDMO O=C(NC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000947247319 1179877124 /nfs/dbraw/zinc/87/71/24/1179877124.db2.gz WBVOASDXEKGKBS-HUUCEWRRSA-N 1 1 364.446 0.635 20 5 FCBDMO Cc1nn(C)c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000377636167 1182864540 /nfs/dbraw/zinc/86/45/40/1182864540.db2.gz FBSCVENQXWNRMC-CQSZACIVSA-N 1 1 364.450 0.877 20 5 FCBDMO Cc1nn(C)c(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000377636167 1182864541 /nfs/dbraw/zinc/86/45/41/1182864541.db2.gz FBSCVENQXWNRMC-CQSZACIVSA-N 1 1 364.450 0.877 20 5 FCBDMO CC(C)[NH+]1CCC(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000980400910 1186212689 /nfs/dbraw/zinc/21/26/89/1186212689.db2.gz XLBKMKJDQPFIQR-DTZQCDIJSA-N 1 1 366.462 0.783 20 5 FCBDMO Cc1nc(C)n(CC[N@H+]2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)n1 ZINC000981765059 1186514025 /nfs/dbraw/zinc/51/40/25/1186514025.db2.gz OHJKOIJROYUETC-HUUCEWRRSA-N 1 1 362.434 0.485 20 5 FCBDMO Cc1nc(C)n(CC[N@@H+]2CCCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)n1 ZINC000981765059 1186514028 /nfs/dbraw/zinc/51/40/28/1186514028.db2.gz OHJKOIJROYUETC-HUUCEWRRSA-N 1 1 362.434 0.485 20 5 FCBDMO Cc1nc(C)n(CC[N@H+]2CCCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)n1 ZINC000981765059 1186514033 /nfs/dbraw/zinc/51/40/33/1186514033.db2.gz OHJKOIJROYUETC-HUUCEWRRSA-N 1 1 362.434 0.485 20 5 FCBDMO CCn1ncnc1CN1C[C@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@]2(C)C1 ZINC000982278803 1186694894 /nfs/dbraw/zinc/69/48/94/1186694894.db2.gz RMVYFIQOFGYHHO-KFZJALRRSA-N 1 1 362.434 0.634 20 5 FCBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@@H]1C[N@@H+](C)CCN1C ZINC000896563309 1190093549 /nfs/dbraw/zinc/09/35/49/1190093549.db2.gz KDDUIBWZGAFBMN-FZMZJTMJSA-N 1 1 364.402 0.730 20 5 FCBDMO C[C@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000840672762 1190265245 /nfs/dbraw/zinc/26/52/45/1190265245.db2.gz NGJJJPVPQQLESU-LCGIIJARSA-N 1 1 361.398 0.974 20 5 FCBDMO C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000840672762 1190265254 /nfs/dbraw/zinc/26/52/54/1190265254.db2.gz NGJJJPVPQQLESU-LCGIIJARSA-N 1 1 361.398 0.974 20 5 FCBDMO C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000840672762 1190265255 /nfs/dbraw/zinc/26/52/55/1190265255.db2.gz NGJJJPVPQQLESU-LCGIIJARSA-N 1 1 361.398 0.974 20 5 FCBDMO CC(C)(CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC001126936651 1194608218 /nfs/dbraw/zinc/60/82/18/1194608218.db2.gz OUFJZUBZSIPBBN-HUUCEWRRSA-N 1 1 362.430 0.451 20 5 FCBDMO CNc1nccc(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000594349432 1196713896 /nfs/dbraw/zinc/71/38/96/1196713896.db2.gz MWSXCIRTZYWDNZ-UHFFFAOYSA-N 1 1 359.390 1.164 20 5 FCBDMO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593855398 1196827016 /nfs/dbraw/zinc/82/70/16/1196827016.db2.gz PDNXSMHGGIBQSB-CQSZACIVSA-N 1 1 358.358 0.067 20 5 FCBDMO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593855398 1196827017 /nfs/dbraw/zinc/82/70/17/1196827017.db2.gz PDNXSMHGGIBQSB-CQSZACIVSA-N 1 1 358.358 0.067 20 5 FCBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000787636511 1200895677 /nfs/dbraw/zinc/89/56/77/1200895677.db2.gz RZTHODGFDBFGJS-BETUJISGSA-N 1 1 363.370 0.815 20 5 FCBDMO COC(=O)c1cc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc([N+](=O)[O-])c1 ZINC000747325405 1202727251 /nfs/dbraw/zinc/72/72/51/1202727251.db2.gz IUJWPRPLEHPCPN-UKRRQHHQSA-N 1 1 363.370 0.974 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC(n2cc(C[NH2+]CC3CC(F)(F)C3)nn2)C1 ZINC001093318066 1206075152 /nfs/dbraw/zinc/07/51/52/1206075152.db2.gz BJGWACGKWGDODP-CHWSQXEVSA-N 1 1 370.360 0.462 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC1)CN(Cc1cccnc1)CCO2 ZINC000949362807 1212361943 /nfs/dbraw/zinc/36/19/43/1212361943.db2.gz WUIZSAYYDSPIDB-HZPDHXFCSA-N 1 1 360.414 0.940 20 5 FCBDMO C[C@@]12CN(C(=O)C[NH+]3CCCC3)C[C@]1(C)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001010976761 1213824532 /nfs/dbraw/zinc/82/45/32/1213824532.db2.gz LKXFGJZYXRIPHH-DTDBQYNISA-N 1 1 364.446 0.444 20 5 FCBDMO Cn1ncnc1C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001039485482 1214378353 /nfs/dbraw/zinc/37/83/53/1214378353.db2.gz AKZSEGHAEQYBHO-HUUCEWRRSA-N 1 1 362.434 0.683 20 5 FCBDMO O=C(NC[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000963981043 1214882151 /nfs/dbraw/zinc/88/21/51/1214882151.db2.gz DZMXTZSLGHXXNM-KBUPBQIOSA-N 1 1 364.446 0.539 20 5 FCBDMO CC1(CCC(=O)NCC[NH+]2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001055634565 1215893030 /nfs/dbraw/zinc/89/30/30/1215893030.db2.gz OGXRQEHLEMABHA-HUUCEWRRSA-N 1 1 366.462 0.929 20 5 FCBDMO Cn1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCCC2)cc1=O ZINC001115529264 1221311591 /nfs/dbraw/zinc/31/15/91/1221311591.db2.gz IWGRTTAIJCSSHN-HUUCEWRRSA-N 1 1 362.430 0.959 20 5 FCBDMO COCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](CCOCC2CC2)CC1 ZINC001162271022 1223212208 /nfs/dbraw/zinc/21/22/08/1223212208.db2.gz WWEFKVFCLKHHTO-HZPDHXFCSA-N 1 1 369.462 0.923 20 5 FCBDMO [NH3+][C@@H]1NCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[C@H]2NCN[C@H]21 ZINC001162443489 1223215490 /nfs/dbraw/zinc/21/54/90/1223215490.db2.gz HITGAYZQQLNGNK-ARFHVFGLSA-N 1 1 359.365 0.293 20 5 FCBDMO COc1nc(NCc2cc(=O)n3c(n2)C[NH2+]CCC3)nc(C)c1[N+](=O)[O-] ZINC001163111630 1223226134 /nfs/dbraw/zinc/22/61/34/1223226134.db2.gz HQULCUDFOXUTCS-UHFFFAOYSA-N 1 1 361.362 0.364 20 5 FCBDMO O=c1cc(CNc2cc([N+](=O)[O-])c3nncn3c2)nc2n1CCC[NH2+]C2 ZINC001163120335 1223226495 /nfs/dbraw/zinc/22/64/95/1223226495.db2.gz KNMIQJBSSCRQCP-UHFFFAOYSA-N 1 1 356.346 0.300 20 5 FCBDMO O=C(NCCC1(C[NH2+]Cc2nnc3n2CCCC3)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164491053 1223239388 /nfs/dbraw/zinc/23/93/88/1223239388.db2.gz YQPFMLFLCIIMOB-CHWSQXEVSA-N 1 1 362.434 0.656 20 5 FCBDMO COc1cc(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)ncc1[N+](=O)[O-] ZINC001165081498 1223241904 /nfs/dbraw/zinc/24/19/04/1223241904.db2.gz DRRQQPDWLRCMBF-UHFFFAOYSA-N 1 1 363.418 0.989 20 5 FCBDMO CN1CCN(C2CN(c3cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn3)C2)CC1=O ZINC001165111613 1223242315 /nfs/dbraw/zinc/24/23/15/1223242315.db2.gz HWCBWIVNUVSYEE-PLNGDYQASA-N 1 1 360.418 0.485 20 5 FCBDMO CC1CC[NH+](CC(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000943699956 1247389618 /nfs/dbraw/zinc/38/96/18/1247389618.db2.gz SVUYLYMDNCFKMZ-KLHDSHLOSA-N 1 1 366.462 0.927 20 5 FCBDMO Cn1nccc1CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589155 1247905353 /nfs/dbraw/zinc/90/53/53/1247905353.db2.gz JGCLUPMPQRGMCC-YALNPMBYSA-N 1 1 361.446 0.798 20 5 FCBDMO Cn1nccc1CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589155 1247905363 /nfs/dbraw/zinc/90/53/63/1247905363.db2.gz JGCLUPMPQRGMCC-YALNPMBYSA-N 1 1 361.446 0.798 20 5 FCBDMO Cn1nccc1CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589155 1247905373 /nfs/dbraw/zinc/90/53/73/1247905373.db2.gz JGCLUPMPQRGMCC-YALNPMBYSA-N 1 1 361.446 0.798 20 5 FCBDMO O=C(N[C@@H]1[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000976478333 1248224294 /nfs/dbraw/zinc/22/42/94/1248224294.db2.gz TWGORILIWIHNLL-QMIVOQANSA-N 1 1 355.354 0.186 20 5 FCBDMO CNC(=O)c1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC000996428691 1251345059 /nfs/dbraw/zinc/34/50/59/1251345059.db2.gz GESUJIYJDSERNE-HZPDHXFCSA-N 1 1 360.414 0.792 20 5 FCBDMO COc1ccc(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 ZINC001029964656 1253875420 /nfs/dbraw/zinc/87/54/20/1253875420.db2.gz UDMJASYCHRBFRF-HUUCEWRRSA-N 1 1 363.418 0.821 20 5 FCBDMO COc1ccc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC001029964656 1253875433 /nfs/dbraw/zinc/87/54/33/1253875433.db2.gz UDMJASYCHRBFRF-HUUCEWRRSA-N 1 1 363.418 0.821 20 5 FCBDMO COc1ccc(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC001029964656 1253875442 /nfs/dbraw/zinc/87/54/42/1253875442.db2.gz UDMJASYCHRBFRF-HUUCEWRRSA-N 1 1 363.418 0.821 20 5 FCBDMO O=C(C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2)N1CCCC1 ZINC001035187568 1254020853 /nfs/dbraw/zinc/02/08/53/1254020853.db2.gz XDURLSZLNZOPHX-HUUCEWRRSA-N 1 1 364.446 0.589 20 5 FCBDMO O=C(C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2)N1CCCC1 ZINC001035187568 1254020859 /nfs/dbraw/zinc/02/08/59/1254020859.db2.gz XDURLSZLNZOPHX-HUUCEWRRSA-N 1 1 364.446 0.589 20 5 FCBDMO O=C(C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2)N1CCCC1 ZINC001035187568 1254020867 /nfs/dbraw/zinc/02/08/67/1254020867.db2.gz XDURLSZLNZOPHX-HUUCEWRRSA-N 1 1 364.446 0.589 20 5 FCBDMO C[NH+](C)CCCCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001061065630 1254157078 /nfs/dbraw/zinc/15/70/78/1254157078.db2.gz HVNBPKYIAGDTAH-HUUCEWRRSA-N 1 1 366.462 0.835 20 5 FCBDMO CCN(C(=O)CCC[NH+]1CCCCC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079814821 1255617374 /nfs/dbraw/zinc/61/73/74/1255617374.db2.gz LXHIKCVDPSCXOK-HZPDHXFCSA-N 1 1 366.462 0.977 20 5 FCBDMO CN(C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccccc1 ZINC001200461337 1259415405 /nfs/dbraw/zinc/41/54/05/1259415405.db2.gz BDCHHITXRALIJQ-HZPDHXFCSA-N 1 1 360.414 0.895 20 5 FCBDMO CCN1CCN([C@H](C)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC001335934525 1259908278 /nfs/dbraw/zinc/90/82/78/1259908278.db2.gz RXWYIWNJLPEBAU-NVXWUHKLSA-N 1 1 366.462 0.950 20 5 FCBDMO CN(CC(=O)N1CC[NH+](C)CC1)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001307966854 1263204931 /nfs/dbraw/zinc/20/49/31/1263204931.db2.gz FQUNSWSWXYCSSW-UHFFFAOYSA-N 1 1 374.401 0.851 20 5 FCBDMO COc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC001321991757 1264124413 /nfs/dbraw/zinc/12/44/13/1264124413.db2.gz NMBGJQRREDLOSD-DGCLKSJQSA-N 1 1 364.402 0.819 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC001323060139 1264327316 /nfs/dbraw/zinc/32/73/16/1264327316.db2.gz VXTDNVMZIKKXEJ-LLVKDONJSA-N 1 1 364.402 0.819 20 5 FCBDMO Cc1[nH+]ccn1CCCNC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001323110305 1264342521 /nfs/dbraw/zinc/34/25/21/1264342521.db2.gz CBWXLOFMQGKGTJ-UHFFFAOYSA-N 1 1 359.386 0.965 20 5 FCBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001323239490 1264374312 /nfs/dbraw/zinc/37/43/12/1264374312.db2.gz RKPVJAOPWDNHCH-GDBMZVCRSA-N 1 1 360.414 0.997 20 5 FCBDMO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001327436107 1265320560 /nfs/dbraw/zinc/32/05/60/1265320560.db2.gz ILIATRRDBBGQGZ-CABCVRRESA-N 1 1 362.386 0.190 20 5 FCBDMO COCCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001514611772 1265363422 /nfs/dbraw/zinc/36/34/22/1265363422.db2.gz WZIDBSRTASIVNE-UONOGXRCSA-N 1 1 368.438 0.563 20 5 FCBDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC001340387834 1268531026 /nfs/dbraw/zinc/53/10/26/1268531026.db2.gz QZURFESECNKQEP-ZDUSSCGKSA-N 1 1 350.375 0.048 20 5 FCBDMO COCCn1c(C[N+](=O)[O-])nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001342292974 1269422144 /nfs/dbraw/zinc/42/21/44/1269422144.db2.gz BNYQPZDJHMFSOD-CYBMUJFWSA-N 1 1 354.411 0.002 20 5 FCBDMO CN(C1(C[NH3+])CCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001591038222 1284095981 /nfs/dbraw/zinc/09/59/81/1284095981.db2.gz MMQLGWIKGLHIFP-UHFFFAOYSA-N 1 1 367.391 0.277 20 5 FCBDMO C[N@@H+](CCCO)C1CCN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001591087506 1284159384 /nfs/dbraw/zinc/15/93/84/1284159384.db2.gz XBIWHIOWDZECIH-UHFFFAOYSA-N 1 1 362.394 0.453 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])C1 ZINC001592720570 1285622449 /nfs/dbraw/zinc/62/24/49/1285622449.db2.gz NCNZAQBXGHRLGL-LBPRGKRZSA-N 1 1 374.405 0.774 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001592733495 1285645606 /nfs/dbraw/zinc/64/56/06/1285645606.db2.gz VTOLTKDLBMTKAC-ZDUSSCGKSA-N 1 1 360.378 0.527 20 5 FCBDMO COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC[N@@H+](C)C1 ZINC001609297239 1289068054 /nfs/dbraw/zinc/06/80/54/1289068054.db2.gz IWJNITODZPRGON-JTQLQIEISA-N 1 1 361.362 0.316 20 5 FCBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(-c2nn[nH]n2)c1 ZINC001607086011 1288653316 /nfs/dbraw/zinc/65/33/16/1288653316.db2.gz HCTCBCNFWDAVCT-OLZOCXBDSA-N 1 1 360.378 0.205 20 5 FCBDMO O=C1N[C@H]2C[N@H+](Cc3c(-c4nn[nH]n4)cccc3[N+](=O)[O-])CC[C@@H]2CO1 ZINC001609589795 1289247466 /nfs/dbraw/zinc/24/74/66/1289247466.db2.gz IPUFUSKHBYTYPA-SKDRFNHKSA-N 1 1 359.346 0.705 20 5 FCBDMO O=C1N[C@H]2C[N@@H+](Cc3c(-c4nn[nH]n4)cccc3[N+](=O)[O-])CC[C@@H]2CO1 ZINC001609589795 1289247471 /nfs/dbraw/zinc/24/74/71/1289247471.db2.gz IPUFUSKHBYTYPA-SKDRFNHKSA-N 1 1 359.346 0.705 20 5 FCBDMO CN(C)C(=O)c1cccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001699257027 1289547579 /nfs/dbraw/zinc/54/75/79/1289547579.db2.gz JNKSTRZHXWSLNL-JGPFYOFESA-N 1 1 360.414 0.816 20 5 FCBDMO O=C(C[NH2+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)N1CCCC1 ZINC001754952160 1290639260 /nfs/dbraw/zinc/63/92/60/1290639260.db2.gz SWVXTGHYUKTVSD-KBUPBQIOSA-N 1 1 352.435 0.539 20 5 FCBDMO CC(C)OCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001755173786 1290641609 /nfs/dbraw/zinc/64/16/09/1290641609.db2.gz ARRBXGKSFLQOIA-HUUCEWRRSA-N 1 1 355.435 0.770 20 5 FCBDMO COCCC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001689357154 1294770090 /nfs/dbraw/zinc/77/00/90/1294770090.db2.gz KONPMWLKLUBRJX-ZYHUDNBSSA-N 1 1 354.432 0.819 20 5 FCBDMO Nc1nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164741430 720719117 /nfs/dbraw/zinc/71/91/17/720719117.db2.gz TUMXVNVCQFBLRG-NWDGAFQWSA-N 1 1 357.374 0.704 20 5 FCBDMO O=C(C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1)N1CCCCC1 ZINC001072725782 837743249 /nfs/dbraw/zinc/74/32/49/837743249.db2.gz RJVCNEMSKWOPFT-ZIAGYGMSSA-N 1 1 350.419 0.198 20 5 FCBDMO C[NH+](C)CC1(C(=O)NC2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001073015553 837752273 /nfs/dbraw/zinc/75/22/73/837752273.db2.gz JSZFGRKUVFIABQ-CHWSQXEVSA-N 1 1 352.435 0.491 20 5 FCBDMO NC(=O)C[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000746232701 836167267 /nfs/dbraw/zinc/16/72/67/836167267.db2.gz YGORAFCGADJYPU-UHFFFAOYSA-N 1 1 354.338 0.179 20 5 FCBDMO CCC(CC)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001105235907 844983250 /nfs/dbraw/zinc/98/32/50/844983250.db2.gz ZLMQGPBGMNKPAH-HUUCEWRRSA-N 1 1 350.423 0.852 20 5 FCBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCc1ccc(Cl)s1 ZINC001126936265 848713209 /nfs/dbraw/zinc/71/32/09/848713209.db2.gz DGKHKBHHXQEQDZ-NXEZZACHSA-N 1 1 360.823 0.389 20 5 FCBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCc2sccc2C1 ZINC001126939202 848714938 /nfs/dbraw/zinc/71/49/38/848714938.db2.gz RITJVKVNXYITPM-VXGBXAGGSA-N 1 1 352.416 0.004 20 5 FCBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCc2sccc2C1 ZINC001157775297 849992774 /nfs/dbraw/zinc/99/27/74/849992774.db2.gz NZQSTJGAGMLHIC-CHWSQXEVSA-N 1 1 366.443 0.394 20 5 FCBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCCC1=CCCCC1 ZINC001157775793 849994782 /nfs/dbraw/zinc/99/47/82/849994782.db2.gz XBNYUYPQOWLNCP-HUUCEWRRSA-N 1 1 352.435 0.754 20 5 FCBDMO CC(C)(C)OC(=O)[C@@H]([NH3+])C1CN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001163118975 850356071 /nfs/dbraw/zinc/35/60/71/850356071.db2.gz IOFKMPRILWKYGG-LBPRGKRZSA-N 1 1 358.782 0.987 20 5 FCBDMO CC(C)NC(=O)NCC[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164494856 850413769 /nfs/dbraw/zinc/41/37/69/850413769.db2.gz VZIFZOXZIKXYPO-CHWSQXEVSA-N 1 1 355.439 0.235 20 5 FCBDMO CCN1C[C@@]23C[N@H+]([C@@H]4CC[C@H](C[N+](=O)[O-])C4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001169017966 850602201 /nfs/dbraw/zinc/60/22/01/850602201.db2.gz BCSFSFZKRWQIML-QRTUWBSPSA-N 1 1 359.448 0.309 20 5 FCBDMO CN(C)S(=O)(=O)N1CC[C@@H]2C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]2C1 ZINC001169023587 850603529 /nfs/dbraw/zinc/60/35/29/850603529.db2.gz PCIRDQUKHBOSBJ-KBXIAJHMSA-N 1 1 360.480 0.492 20 5 FCBDMO COC(=O)C(C(=O)OC)c1cc(N[C@H](N)CCC[NH3+])ccc1[N+](=O)[O-] ZINC001170903255 850670955 /nfs/dbraw/zinc/67/09/55/850670955.db2.gz IPIATXMYYYOIHG-LBPRGKRZSA-N 1 1 354.363 0.460 20 5 FCBDMO COc1ccc(C[NH2+]CCCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001178458605 850900548 /nfs/dbraw/zinc/90/05/48/850900548.db2.gz NWIASDVVJNMMJU-ZIAGYGMSSA-N 1 1 351.407 0.917 20 5 FCBDMO CCCn1nnnc1C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178464260 850900643 /nfs/dbraw/zinc/90/06/43/850900643.db2.gz RXSRUUZHWVACCK-CHWSQXEVSA-N 1 1 353.427 0.515 20 5 FCBDMO CS(=O)(=O)CC1(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001200472173 853499039 /nfs/dbraw/zinc/49/90/39/853499039.db2.gz NQUWQWISWOIZER-CHWSQXEVSA-N 1 1 359.448 0.057 20 5 FCBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CCNS(C)(=O)=O ZINC001253338450 857881338 /nfs/dbraw/zinc/88/13/38/857881338.db2.gz QOIWCKWEYRCWNV-UHFFFAOYSA-N 1 1 372.403 0.374 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC001257377114 858142996 /nfs/dbraw/zinc/14/29/96/858142996.db2.gz CBTDUTBWXSRWTM-UHFFFAOYSA-N 1 1 350.375 0.430 20 5 FCBDMO CCOCCCn1c(C[N+](=O)[O-])nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001343204030 870290887 /nfs/dbraw/zinc/29/08/87/870290887.db2.gz MPGUNYZPUYAZFX-CYBMUJFWSA-N 1 1 354.411 0.002 20 5 FCBDMO CCOCCCn1c(C[N+](=O)[O-])nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001343204030 870290909 /nfs/dbraw/zinc/29/09/09/870290909.db2.gz MPGUNYZPUYAZFX-CYBMUJFWSA-N 1 1 354.411 0.002 20 5 FCBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292292551 214091333 /nfs/dbraw/zinc/09/13/33/214091333.db2.gz UIDMCHHMYSGZRW-LBPRGKRZSA-N 1 1 370.431 0.889 20 5 FCBDMO COc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc([N+](=O)[O-])c1OC ZINC000265966977 210257328 /nfs/dbraw/zinc/25/73/28/210257328.db2.gz SWVPGYYUUPHVIU-GFCCVEGCSA-N 1 1 352.391 0.588 20 5 FCBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000265937968 210253503 /nfs/dbraw/zinc/25/35/03/210253503.db2.gz GNMNBGZCEJPSLH-WCQYABFASA-N 1 1 374.397 0.989 20 5 FCBDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)C1 ZINC000296594138 214356301 /nfs/dbraw/zinc/35/63/01/214356301.db2.gz QTYHETMTNDSRKX-LLVKDONJSA-N 1 1 368.365 0.818 20 5 FCBDMO Cc1c(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000265689885 210199201 /nfs/dbraw/zinc/19/92/01/210199201.db2.gz FSYGPBBYYLKPAJ-LBPRGKRZSA-N 1 1 364.402 0.926 20 5 FCBDMO Cc1c(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000265335140 210099135 /nfs/dbraw/zinc/09/91/35/210099135.db2.gz HISJSNOOZUIEDF-ZBFHGGJFSA-N 1 1 369.443 0.491 20 5 FCBDMO CC[NH+]1CCN(CCCCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000265098503 210055308 /nfs/dbraw/zinc/05/53/08/210055308.db2.gz GMNJBUBDJCIBFN-UHFFFAOYSA-N 1 1 352.439 0.715 20 5 FCBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCC[NH+]1CCSCC1 ZINC000264894330 210009484 /nfs/dbraw/zinc/00/94/84/210009484.db2.gz XSIOFNKCZRCYJA-UHFFFAOYSA-N 1 1 352.416 0.490 20 5 FCBDMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)CC1 ZINC000332443607 215152018 /nfs/dbraw/zinc/15/20/18/215152018.db2.gz BSEMDHIRJDSVIE-UHFFFAOYSA-N 1 1 363.418 0.939 20 5 FCBDMO COCC(COC)[NH+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000413886614 237394174 /nfs/dbraw/zinc/39/41/74/237394174.db2.gz VVBTVKJAOJZSHA-UHFFFAOYSA-N 1 1 366.418 0.812 20 5 FCBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000195212074 209333189 /nfs/dbraw/zinc/33/31/89/209333189.db2.gz YKEVKFSBNYKNMV-MJBXVCDLSA-N 1 1 351.407 0.892 20 5 FCBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000195212074 209333194 /nfs/dbraw/zinc/33/31/94/209333194.db2.gz YKEVKFSBNYKNMV-MJBXVCDLSA-N 1 1 351.407 0.892 20 5 FCBDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000195212098 209332902 /nfs/dbraw/zinc/33/29/02/209332902.db2.gz YKEVKFSBNYKNMV-MCIONIFRSA-N 1 1 351.407 0.892 20 5 FCBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000369116527 216351068 /nfs/dbraw/zinc/35/10/68/216351068.db2.gz LDERFXZPRXBDMJ-GJZGRUSLSA-N 1 1 372.385 0.769 20 5 FCBDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000369287142 216378303 /nfs/dbraw/zinc/37/83/03/216378303.db2.gz FHUPIOMBRVAICR-GFCCVEGCSA-N 1 1 370.431 0.937 20 5 FCBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000189431059 209252579 /nfs/dbraw/zinc/25/25/79/209252579.db2.gz PHUJYYACSANSDV-GFCCVEGCSA-N 1 1 354.411 0.278 20 5 FCBDMO CCOc1cc(C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000276905812 212305676 /nfs/dbraw/zinc/30/56/76/212305676.db2.gz MJYKOIGPVOQRAB-CYBMUJFWSA-N 1 1 372.447 0.999 20 5 FCBDMO CCOc1cc(C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000276905812 212305680 /nfs/dbraw/zinc/30/56/80/212305680.db2.gz MJYKOIGPVOQRAB-CYBMUJFWSA-N 1 1 372.447 0.999 20 5 FCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H](C)C1 ZINC000276377634 212223823 /nfs/dbraw/zinc/22/38/23/212223823.db2.gz PWEIQLIPYPKCFX-LLVKDONJSA-N 1 1 350.375 0.886 20 5 FCBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H](C)C1 ZINC000276377634 212223825 /nfs/dbraw/zinc/22/38/25/212223825.db2.gz PWEIQLIPYPKCFX-LLVKDONJSA-N 1 1 350.375 0.886 20 5 FCBDMO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CCCOCC1 ZINC000275828825 212099481 /nfs/dbraw/zinc/09/94/81/212099481.db2.gz KSCIXXUPFPKPJK-UHFFFAOYSA-N 1 1 364.402 0.553 20 5 FCBDMO CNC(=O)[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000275621603 212062341 /nfs/dbraw/zinc/06/23/41/212062341.db2.gz OROYCWIJOWEPQX-CYBMUJFWSA-N 1 1 354.338 0.509 20 5 FCBDMO CNC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000275621603 212062344 /nfs/dbraw/zinc/06/23/44/212062344.db2.gz OROYCWIJOWEPQX-CYBMUJFWSA-N 1 1 354.338 0.509 20 5 FCBDMO CCOc1ccc(NC(=O)CN2CC[NH+](C[C@@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000275507082 212040485 /nfs/dbraw/zinc/04/04/85/212040485.db2.gz WOZOMJCNRZEYTE-CYBMUJFWSA-N 1 1 366.418 0.930 20 5 FCBDMO C[C@H]1CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC[N@H+]1CC(C)(C)O ZINC000275430157 212026911 /nfs/dbraw/zinc/02/69/11/212026911.db2.gz DWXRPDOTZCHVOJ-NSHDSACASA-N 1 1 372.447 0.524 20 5 FCBDMO CC1(C)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@]2(CCCOC2)O1 ZINC000373760250 217055840 /nfs/dbraw/zinc/05/58/40/217055840.db2.gz VPCYGAIKBALTAS-GDBMZVCRSA-N 1 1 354.407 0.812 20 5 FCBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000374362784 217122023 /nfs/dbraw/zinc/12/20/23/217122023.db2.gz AAEDOLKWZGTXNO-JTQLQIEISA-N 1 1 351.388 0.970 20 5 FCBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000374698265 217158985 /nfs/dbraw/zinc/15/89/85/217158985.db2.gz QESIYMPBICLGKX-SNVBAGLBSA-N 1 1 351.388 0.970 20 5 FCBDMO C[C@H](O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000183156050 209142987 /nfs/dbraw/zinc/14/29/87/209142987.db2.gz NQYYDDOZPWHXAK-LSDHHAIUSA-N 1 1 362.430 0.946 20 5 FCBDMO Cc1ccc(NCCCNC(=O)C(=O)NCC(F)(F)C[NH3+])c([N+](=O)[O-])c1 ZINC000419453296 246170610 /nfs/dbraw/zinc/17/06/10/246170610.db2.gz JFUYAWIFKZPBFG-UHFFFAOYSA-N 1 1 373.360 0.532 20 5 FCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000440519855 248194236 /nfs/dbraw/zinc/19/42/36/248194236.db2.gz WYKCAZYZTCVMRJ-KRWDZBQOSA-N 1 1 359.386 0.545 20 5 FCBDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000444174527 248349593 /nfs/dbraw/zinc/34/95/93/248349593.db2.gz HAWKWMUCVOUSJU-NSHDSACASA-N 1 1 359.404 0.602 20 5 FCBDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000444174527 248349594 /nfs/dbraw/zinc/34/95/94/248349594.db2.gz HAWKWMUCVOUSJU-NSHDSACASA-N 1 1 359.404 0.602 20 5 FCBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000452366140 249312195 /nfs/dbraw/zinc/31/21/95/249312195.db2.gz OMAJXRBNLORNRW-LBPRGKRZSA-N 1 1 351.359 0.900 20 5 FCBDMO COc1cc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)c([N+](=O)[O-])cc1OC 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/nfs/dbraw/zinc/03/08/03/211030803.db2.gz JAFHKLSIQGGZER-SMDDNHRTSA-N 1 1 358.420 0.133 20 5 FCBDMO COC(=O)[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000411916347 533007155 /nfs/dbraw/zinc/00/71/55/533007155.db2.gz MJVPQIPCOUJGGO-KGLIPLIRSA-N 1 1 367.402 0.371 20 5 FCBDMO COC(=O)[C@@H]1CN(C)CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000411916347 533007162 /nfs/dbraw/zinc/00/71/62/533007162.db2.gz MJVPQIPCOUJGGO-KGLIPLIRSA-N 1 1 367.402 0.371 20 5 FCBDMO COC(=O)[C@@H]1CN(C)CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000411916347 533007165 /nfs/dbraw/zinc/00/71/65/533007165.db2.gz MJVPQIPCOUJGGO-KGLIPLIRSA-N 1 1 367.402 0.371 20 5 FCBDMO COC(=O)[C@H]1CN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000411910871 533008801 /nfs/dbraw/zinc/00/88/01/533008801.db2.gz GZWQLEURZURIGS-QWHCGFSZSA-N 1 1 364.402 0.958 20 5 FCBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000078877693 208086470 /nfs/dbraw/zinc/08/64/70/208086470.db2.gz 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COCC[N@@H+](C)C[C@@H](O)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000566572304 491454055 /nfs/dbraw/zinc/45/40/55/491454055.db2.gz QUFWEUJNKWCAKV-OAHLLOKOSA-N 1 1 362.386 0.758 20 5 FCBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000567671976 491521636 /nfs/dbraw/zinc/52/16/36/491521636.db2.gz YPANDDOXOIYSEU-ZDUSSCGKSA-N 1 1 373.369 0.886 20 5 FCBDMO COC(=O)c1ccc2c(c1)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000560826273 491559044 /nfs/dbraw/zinc/55/90/44/491559044.db2.gz ZAVDAERFROJXMD-MRXNPFEDSA-N 1 1 360.370 0.997 20 5 FCBDMO COC(=O)c1ccc2c(c1)C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000560826273 491559045 /nfs/dbraw/zinc/55/90/45/491559045.db2.gz ZAVDAERFROJXMD-MRXNPFEDSA-N 1 1 360.370 0.997 20 5 FCBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000584485228 491596722 /nfs/dbraw/zinc/59/67/22/491596722.db2.gz AOXBWMZNDFIZFY-UHFFFAOYSA-N 1 1 350.375 0.497 20 5 FCBDMO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000577418373 491621378 /nfs/dbraw/zinc/62/13/78/491621378.db2.gz RNQYFBSKLFZCKF-NEPJUHHUSA-N 1 1 368.415 0.599 20 5 FCBDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000580250443 491723418 /nfs/dbraw/zinc/72/34/18/491723418.db2.gz CWZHEIQZHOSYMT-UHFFFAOYSA-N 1 1 358.464 0.898 20 5 FCBDMO CN(CCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000580250443 491723420 /nfs/dbraw/zinc/72/34/20/491723420.db2.gz CWZHEIQZHOSYMT-UHFFFAOYSA-N 1 1 358.464 0.898 20 5 FCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000587979622 491736276 /nfs/dbraw/zinc/73/62/76/491736276.db2.gz VFSHLYSLYYHHKS-CYBMUJFWSA-N 1 1 363.418 0.993 20 5 FCBDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)CC1=O ZINC000588882379 491750950 /nfs/dbraw/zinc/75/09/50/491750950.db2.gz XTMXYIBAZCZXKF-NSHDSACASA-N 1 1 354.363 0.097 20 5 FCBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000589408079 491761256 /nfs/dbraw/zinc/76/12/56/491761256.db2.gz FFBCWKPVHLEBPN-XHDPSFHLSA-N 1 1 364.402 0.931 20 5 FCBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000589408079 491761258 /nfs/dbraw/zinc/76/12/58/491761258.db2.gz FFBCWKPVHLEBPN-XHDPSFHLSA-N 1 1 364.402 0.931 20 5 FCBDMO Cc1nn(C)c(C(=O)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000590554574 491779238 /nfs/dbraw/zinc/77/92/38/491779238.db2.gz DPXJWRIYEFPQII-LLVKDONJSA-N 1 1 351.407 0.962 20 5 FCBDMO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H](C)[N@H+]1CCO ZINC000582649636 491821021 /nfs/dbraw/zinc/82/10/21/491821021.db2.gz CKLWHHMFCOYGIU-PHIMTYICSA-N 1 1 351.359 0.851 20 5 FCBDMO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H](C)[N@@H+]1CCO ZINC000582649636 491821022 /nfs/dbraw/zinc/82/10/22/491821022.db2.gz CKLWHHMFCOYGIU-PHIMTYICSA-N 1 1 351.359 0.851 20 5 FCBDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000592388771 491836474 /nfs/dbraw/zinc/83/64/74/491836474.db2.gz NKYPGCDYLYMGMX-LLVKDONJSA-N 1 1 361.351 0.260 20 5 FCBDMO COc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000611894060 491881017 /nfs/dbraw/zinc/88/10/17/491881017.db2.gz PNTSKBOMXQIBCW-QMTHXVAHSA-N 1 1 366.374 0.377 20 5 FCBDMO COc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000611894060 491881019 /nfs/dbraw/zinc/88/10/19/491881019.db2.gz PNTSKBOMXQIBCW-QMTHXVAHSA-N 1 1 366.374 0.377 20 5 FCBDMO COc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000611894058 491881055 /nfs/dbraw/zinc/88/10/55/491881055.db2.gz PNTSKBOMXQIBCW-HZMBPMFUSA-N 1 1 366.374 0.377 20 5 FCBDMO COc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000611894058 491881057 /nfs/dbraw/zinc/88/10/57/491881057.db2.gz PNTSKBOMXQIBCW-HZMBPMFUSA-N 1 1 366.374 0.377 20 5 FCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000600808823 491883940 /nfs/dbraw/zinc/88/39/40/491883940.db2.gz SHMPTOGWLFBCOZ-NWDGAFQWSA-N 1 1 354.411 0.010 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000612566771 491934337 /nfs/dbraw/zinc/93/43/37/491934337.db2.gz QCFVSQPVRJEJHF-UHFFFAOYSA-N 1 1 350.375 0.449 20 5 FCBDMO COCC[N@H+]1CCC[C@@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000612657012 491942399 /nfs/dbraw/zinc/94/23/99/491942399.db2.gz NAKIRDBMVSVTIB-LLVKDONJSA-N 1 1 358.420 0.765 20 5 FCBDMO NC(=O)C1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000595729485 491950559 /nfs/dbraw/zinc/95/05/59/491950559.db2.gz SQCPKHXYQJUUCC-UHFFFAOYSA-N 1 1 356.766 0.811 20 5 FCBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+]C1(CO)CCNCC1 ZINC000595896852 491959914 /nfs/dbraw/zinc/95/99/14/491959914.db2.gz LURNLYBVRNEEIY-UHFFFAOYSA-N 1 1 350.375 0.597 20 5 FCBDMO C[C@@H](CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[NH+]1CCN(C)CC1 ZINC000596105171 491975516 /nfs/dbraw/zinc/97/55/16/491975516.db2.gz RJRNEXGWGQOERB-NSHDSACASA-N 1 1 357.436 0.290 20 5 FCBDMO CCOCC[NH+]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596114721 491975885 /nfs/dbraw/zinc/97/58/85/491975885.db2.gz LUUDHWDMWLBSCI-UHFFFAOYSA-N 1 1 358.420 0.401 20 5 FCBDMO C[C@H](Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000596114691 491975948 /nfs/dbraw/zinc/97/59/48/491975948.db2.gz MXLJHUOXRLNKIR-QWRGUYRKSA-N 1 1 358.420 0.763 20 5 FCBDMO NS(=O)(=O)c1ccc(N2CC[NH+]([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000596167870 491978194 /nfs/dbraw/zinc/97/81/94/491978194.db2.gz PBWNHKUJJCLNJZ-LBPRGKRZSA-N 1 1 356.404 0.153 20 5 FCBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000596173843 491978525 /nfs/dbraw/zinc/97/85/25/491978525.db2.gz AQKWBRVMZSECNT-JTQLQIEISA-N 1 1 351.388 0.970 20 5 FCBDMO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596231179 491980928 /nfs/dbraw/zinc/98/09/28/491980928.db2.gz GYYWYDWDVFGTFI-WCQYABFASA-N 1 1 370.431 0.542 20 5 FCBDMO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000602483887 491989015 /nfs/dbraw/zinc/98/90/15/491989015.db2.gz JTLVPNQZIZKAFH-LLVKDONJSA-N 1 1 350.350 0.770 20 5 FCBDMO O=[N+]([O-])c1cnn(CC[N@@H+](CCN2CCOCC2)[C@@H]2CCSC2)c1 ZINC000602881233 492002564 /nfs/dbraw/zinc/00/25/64/492002564.db2.gz KNAYTIDWCSOKIJ-CQSZACIVSA-N 1 1 355.464 0.931 20 5 FCBDMO Cc1nn(C)c(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000603421647 492031751 /nfs/dbraw/zinc/03/17/51/492031751.db2.gz AALRKEBGDVJYTA-CQSZACIVSA-N 1 1 352.439 0.845 20 5 FCBDMO COC(=O)[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000599683724 492199425 /nfs/dbraw/zinc/19/94/25/492199425.db2.gz XLHFGRPZOBGCMX-ZBFHGGJFSA-N 1 1 360.370 0.925 20 5 FCBDMO CC(C)(C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)n1cc([N+](=O)[O-])cn1 ZINC000609286078 492204464 /nfs/dbraw/zinc/20/44/64/492204464.db2.gz WTTMNXAWGSSKMG-ZIAGYGMSSA-N 1 1 351.407 0.584 20 5 FCBDMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000609382295 492207348 /nfs/dbraw/zinc/20/73/48/492207348.db2.gz AHYCQVHCPBKHNJ-GFCCVEGCSA-N 1 1 372.381 0.791 20 5 FCBDMO COc1cc(OCC(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599938388 492219110 /nfs/dbraw/zinc/21/91/10/492219110.db2.gz OHAUWXXSWNGZRX-OLZOCXBDSA-N 1 1 365.386 0.650 20 5 FCBDMO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000609709168 492219606 /nfs/dbraw/zinc/21/96/06/492219606.db2.gz RFNCWSGQDXGIEX-CABCVRRESA-N 1 1 355.416 0.182 20 5 FCBDMO CCOC(=O)c1ccnc(NC2CC[NH+](CC(=O)NC)CC2)c1[N+](=O)[O-] ZINC000609961219 492229880 /nfs/dbraw/zinc/22/98/80/492229880.db2.gz AYERKBNBSZUJJQ-UHFFFAOYSA-N 1 1 365.390 0.789 20 5 FCBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600070078 492241308 /nfs/dbraw/zinc/24/13/08/492241308.db2.gz DLTCRPOVACQQRX-GFCCVEGCSA-N 1 1 366.374 0.115 20 5 FCBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000610387477 492244004 /nfs/dbraw/zinc/24/40/04/492244004.db2.gz VGDGWNRQJBSFNT-UHFFFAOYSA-N 1 1 363.418 0.263 20 5 FCBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000611100928 492278347 /nfs/dbraw/zinc/27/83/47/492278347.db2.gz WLNNYKRWNUVHOI-ZDUSSCGKSA-N 1 1 362.390 0.007 20 5 FCBDMO CC(C)[NH+]1CCN(C2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000611176980 492280750 /nfs/dbraw/zinc/28/07/50/492280750.db2.gz QFIMXWOCRYIVQG-UHFFFAOYSA-N 1 1 364.450 0.808 20 5 FCBDMO C[C@@H](O)C[N@@H+](C)CC(=O)Nc1cc(N(C)C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000611206483 492281257 /nfs/dbraw/zinc/28/12/57/492281257.db2.gz DANMGGAUJRQEQE-NEPJUHHUSA-N 1 1 354.407 0.663 20 5 FCBDMO C[C@@H](O)C[N@H+](C)CC(=O)Nc1cc(N(C)C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000611206483 492281258 /nfs/dbraw/zinc/28/12/58/492281258.db2.gz DANMGGAUJRQEQE-NEPJUHHUSA-N 1 1 354.407 0.663 20 5 FCBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000611522673 492289489 /nfs/dbraw/zinc/28/94/89/492289489.db2.gz RSOMYYZKELBQOD-CYBMUJFWSA-N 1 1 363.418 0.628 20 5 FCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000444389275 535809324 /nfs/dbraw/zinc/80/93/24/535809324.db2.gz IHXWESNTDRBCHS-DGCLKSJQSA-N 1 1 368.438 0.352 20 5 FCBDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000592202331 546946272 /nfs/dbraw/zinc/94/62/72/546946272.db2.gz FGMORYOTUYWNTO-FRRDWIJNSA-N 1 1 354.359 0.190 20 5 FCBDMO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1CCOC ZINC000736409581 598501654 /nfs/dbraw/zinc/50/16/54/598501654.db2.gz WNWZWJBDAFQEBU-LLVKDONJSA-N 1 1 362.394 0.717 20 5 FCBDMO CC[C@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000820994174 606708227 /nfs/dbraw/zinc/70/82/27/606708227.db2.gz FRXSNVGSQDBMDO-QWRGUYRKSA-N 1 1 362.394 0.451 20 5 FCBDMO CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000979746003 664462059 /nfs/dbraw/zinc/46/20/59/664462059.db2.gz FPGCZPXCAKKHIS-AAVRWANBSA-N 1 1 352.435 0.395 20 5 FCBDMO CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000979746003 664462061 /nfs/dbraw/zinc/46/20/61/664462061.db2.gz FPGCZPXCAKKHIS-AAVRWANBSA-N 1 1 352.435 0.395 20 5 FCBDMO CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000979746003 664462063 /nfs/dbraw/zinc/46/20/63/664462063.db2.gz FPGCZPXCAKKHIS-AAVRWANBSA-N 1 1 352.435 0.395 20 5 FCBDMO CC(C)(C)n1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC000983656582 664980301 /nfs/dbraw/zinc/98/03/01/664980301.db2.gz FOPAZBPTHOWKCF-HBJVGIJOSA-N 1 1 350.423 0.683 20 5 FCBDMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000991290038 666287937 /nfs/dbraw/zinc/28/79/37/666287937.db2.gz LOQLQHPCTBQMMP-ZIAGYGMSSA-N 1 1 352.435 0.632 20 5 FCBDMO C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991290038 666287939 /nfs/dbraw/zinc/28/79/39/666287939.db2.gz LOQLQHPCTBQMMP-ZIAGYGMSSA-N 1 1 352.435 0.632 20 5 FCBDMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991290038 666287942 /nfs/dbraw/zinc/28/79/42/666287942.db2.gz LOQLQHPCTBQMMP-ZIAGYGMSSA-N 1 1 352.435 0.632 20 5 FCBDMO O=C(C[NH+]1CCCC1)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000944936730 666872911 /nfs/dbraw/zinc/87/29/11/666872911.db2.gz XKXUYNJTDHAHHT-ZIAGYGMSSA-N 1 1 350.419 0.198 20 5 FCBDMO Cc1cc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)cc([N+](=O)[O-])c1F ZINC000919999219 667216673 /nfs/dbraw/zinc/21/66/73/667216673.db2.gz FZYBMJUHMXEDOB-RISCZKNCSA-N 1 1 374.438 0.955 20 5 FCBDMO Cc1cc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc([N+](=O)[O-])c1F ZINC000919999219 667216675 /nfs/dbraw/zinc/21/66/75/667216675.db2.gz FZYBMJUHMXEDOB-RISCZKNCSA-N 1 1 374.438 0.955 20 5 FCBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000920661755 667253071 /nfs/dbraw/zinc/25/30/71/667253071.db2.gz GOTMSFMTJYGMLE-LLVKDONJSA-N 1 1 353.379 0.346 20 5 FCBDMO CC(C)(C(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)[NH+]1CCCCC1 ZINC001001811013 667509779 /nfs/dbraw/zinc/50/97/79/667509779.db2.gz UNQGDRVCPWJASP-ZIAGYGMSSA-N 1 1 352.435 0.491 20 5 FCBDMO NC(=O)NC(=O)OCCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000769660455 668147319 /nfs/dbraw/zinc/14/73/19/668147319.db2.gz PGMAFIXYSQGABC-JTQLQIEISA-N 1 1 352.351 0.671 20 5 FCBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000784124035 668643382 /nfs/dbraw/zinc/64/33/82/668643382.db2.gz WJEBXHMGIRPCSO-LLVKDONJSA-N 1 1 350.375 0.886 20 5 FCBDMO NS(=O)(=O)c1cc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc([N+](=O)[O-])c1 ZINC000785801207 668732407 /nfs/dbraw/zinc/73/24/07/668732407.db2.gz QCQMAPNXRUGXFT-YPMHNXCESA-N 1 1 356.404 0.517 20 5 FCBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000818986636 668968735 /nfs/dbraw/zinc/96/87/35/668968735.db2.gz 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COc1ccc(CN2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000843055329 670772276 /nfs/dbraw/zinc/77/22/76/670772276.db2.gz YTSIQJLVTBJACQ-UHFFFAOYSA-N 1 1 370.431 0.023 20 5 FCBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000843999129 670877453 /nfs/dbraw/zinc/87/74/53/670877453.db2.gz GETQSDNZGDYVPN-GFCCVEGCSA-N 1 1 350.331 0.702 20 5 FCBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000843999129 670877457 /nfs/dbraw/zinc/87/74/57/670877457.db2.gz GETQSDNZGDYVPN-GFCCVEGCSA-N 1 1 350.331 0.702 20 5 FCBDMO COc1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)sn1 ZINC001048813142 675898273 /nfs/dbraw/zinc/89/82/73/675898273.db2.gz BAAOUWDOGGXBKP-LYIQGSDWSA-N 1 1 352.416 0.707 20 5 FCBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000862206214 672038473 /nfs/dbraw/zinc/03/84/73/672038473.db2.gz JESMSHAGICFTAF-VIFPVBQESA-N 1 1 356.766 0.370 20 5 FCBDMO C[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001053809435 675998679 /nfs/dbraw/zinc/99/86/79/675998679.db2.gz HJVLBMAOJMGFLE-XLWJZTARSA-N 1 1 352.435 0.489 20 5 FCBDMO O=C(CCC1CC1)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055547386 676023657 /nfs/dbraw/zinc/02/36/57/676023657.db2.gz XFJSLOIJXTYVKZ-HUUCEWRRSA-N 1 1 352.435 0.539 20 5 FCBDMO O=C(C[NH+]1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1)N1CCC1 ZINC001000154853 676051734 /nfs/dbraw/zinc/05/17/34/676051734.db2.gz OXAZHCIDBWSMNO-ZIAGYGMSSA-N 1 1 350.419 0.245 20 5 FCBDMO Cc1[nH+]ccn1CCOC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000801439397 675784520 /nfs/dbraw/zinc/78/45/20/675784520.db2.gz GIDQNUUEYDMZCP-UHFFFAOYSA-N 1 1 354.344 0.604 20 5 FCBDMO Cc1nnc(C[NH2+]C[C@H]2CC[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)[nH]1 ZINC001048607472 675866543 /nfs/dbraw/zinc/86/65/43/675866543.db2.gz CWHNSYSJFBMVAE-AAVRWANBSA-N 1 1 350.423 0.791 20 5 FCBDMO CNC(=O)c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001025775371 1182831233 /nfs/dbraw/zinc/83/12/33/1182831233.db2.gz SKGULZLUGXPMIR-LJIZCISZSA-N 1 1 358.398 0.258 20 5 FCBDMO CNC(=O)c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001025775371 1182831234 /nfs/dbraw/zinc/83/12/34/1182831234.db2.gz SKGULZLUGXPMIR-LJIZCISZSA-N 1 1 358.398 0.258 20 5 FCBDMO CNC(=O)c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001025775371 1182831237 /nfs/dbraw/zinc/83/12/37/1182831237.db2.gz SKGULZLUGXPMIR-LJIZCISZSA-N 1 1 358.398 0.258 20 5 FCBDMO CCn1cc(CN2C[C@]3(C)CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@]3(C)C2)nn1 ZINC000982278996 1186694570 /nfs/dbraw/zinc/69/45/70/1186694570.db2.gz WUEDXPHYAPLKIN-SRABZTEZSA-N 1 1 362.434 0.634 20 5 FCBDMO COC(=O)Cc1ccc(N(C)CC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000894958170 1188340681 /nfs/dbraw/zinc/34/06/81/1188340681.db2.gz MOWXBGYJBHSNJZ-UHFFFAOYSA-N 1 1 364.402 0.521 20 5 FCBDMO C[C@@H](Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895247487 1189804340 /nfs/dbraw/zinc/80/43/40/1189804340.db2.gz USNRXRWTRFXYBX-OLZOCXBDSA-N 1 1 365.438 0.268 20 5 FCBDMO C[C@@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000840672764 1190265699 /nfs/dbraw/zinc/26/56/99/1190265699.db2.gz NGJJJPVPQQLESU-SLBVQIDZSA-N 1 1 361.398 0.974 20 5 FCBDMO C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000840672764 1190265706 /nfs/dbraw/zinc/26/57/06/1190265706.db2.gz NGJJJPVPQQLESU-SLBVQIDZSA-N 1 1 361.398 0.974 20 5 FCBDMO C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000840672764 1190265719 /nfs/dbraw/zinc/26/57/19/1190265719.db2.gz NGJJJPVPQQLESU-SLBVQIDZSA-N 1 1 361.398 0.974 20 5 FCBDMO COc1ccc(OC)c(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001126936977 1194610572 /nfs/dbraw/zinc/61/05/72/1194610572.db2.gz ZNMRCAGNVRSBMZ-DGCLKSJQSA-N 1 1 366.374 0.013 20 5 FCBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(Cn4cnc([N+](=O)[O-])n4)cc3)C[C@H]2C1 ZINC000906563034 1195638634 /nfs/dbraw/zinc/63/86/34/1195638634.db2.gz XAUIHJLDRXMAFC-GASCZTMLSA-N 1 1 356.386 0.868 20 5 FCBDMO CC[NH+](CC)Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC000991288795 1195861768 /nfs/dbraw/zinc/86/17/68/1195861768.db2.gz UUVJTFUUUGUPBN-ZIAGYGMSSA-N 1 1 364.402 0.727 20 5 FCBDMO COC(=O)COc1ccc(CN(C)CCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592428374 1196619030 /nfs/dbraw/zinc/61/90/30/1196619030.db2.gz DOKPFZFLCURBAP-UHFFFAOYSA-N 1 1 366.418 0.484 20 5 FCBDMO NC(=O)C[NH+]1CCC(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000129785815 1196625882 /nfs/dbraw/zinc/62/58/82/1196625882.db2.gz WSYOEJLJDQEXJU-UHFFFAOYSA-N 1 1 372.385 0.460 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000786863959 1200855773 /nfs/dbraw/zinc/85/57/73/1200855773.db2.gz AFCGRUAVOJPQDD-HNNXBMFYSA-N 1 1 361.402 0.731 20 5 FCBDMO O=C(C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-])NC1CC1 ZINC001177313827 1206335436 /nfs/dbraw/zinc/33/54/36/1206335436.db2.gz RYUOIMJPCRKORD-HZPDHXFCSA-N 1 1 366.462 0.929 20 5 FCBDMO Cn1cnnc1C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001177313861 1206335519 /nfs/dbraw/zinc/33/55/19/1206335519.db2.gz UKUYQILWTRXACJ-HUUCEWRRSA-N 1 1 364.450 0.979 20 5 FCBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776585936 1209541635 /nfs/dbraw/zinc/54/16/35/1209541635.db2.gz DVJOZEUIJVJROS-IAGOWNOFSA-N 1 1 362.430 0.867 20 5 FCBDMO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000853551084 1209597533 /nfs/dbraw/zinc/59/75/33/1209597533.db2.gz SIHWHCXAMPEKMM-ZDUSSCGKSA-N 1 1 360.370 0.555 20 5 FCBDMO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000825869104 1210410932 /nfs/dbraw/zinc/41/09/32/1210410932.db2.gz PBIXCRNAYRGIIJ-WMLDXEAASA-N 1 1 362.430 0.913 20 5 FCBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000825869104 1210410936 /nfs/dbraw/zinc/41/09/36/1210410936.db2.gz PBIXCRNAYRGIIJ-WMLDXEAASA-N 1 1 362.430 0.913 20 5 FCBDMO CC(C)[NH+]1CCC(C(=O)N2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000948147876 1212139324 /nfs/dbraw/zinc/13/93/24/1212139324.db2.gz QBXXQBBBXWYTRD-HZPDHXFCSA-N 1 1 366.462 0.879 20 5 FCBDMO CN(C(=O)c1cccc(C[NH+](C)C)c1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954499343 1213080019 /nfs/dbraw/zinc/08/00/19/1213080019.db2.gz GQIUMBVVRZQQGD-HZPDHXFCSA-N 1 1 360.414 0.696 20 5 FCBDMO C[NH+](C)C1(C(=O)N2CCCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)CCC1 ZINC001010651859 1213805795 /nfs/dbraw/zinc/80/57/95/1213805795.db2.gz DGMHHZCOWYMQCA-ZIAGYGMSSA-N 1 1 364.446 0.587 20 5 FCBDMO CC1CC[NH+](CC(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C3)CC1 ZINC001019332270 1214232279 /nfs/dbraw/zinc/23/22/79/1214232279.db2.gz SNXRDUWNYHJNFS-HUUCEWRRSA-N 1 1 364.446 0.444 20 5 FCBDMO 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363.389 0.873 20 5 FCBDMO O=C(CCC[NH+]1CCCC1)N1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2C1 ZINC001055331555 1219028546 /nfs/dbraw/zinc/02/85/46/1219028546.db2.gz NRQPTNXAVZXFGR-QKPAOTATSA-N 1 1 364.446 0.444 20 5 FCBDMO CCOCCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575315 1219084274 /nfs/dbraw/zinc/08/42/74/1219084274.db2.gz RWAAKAHPDFGFOX-HUUCEWRRSA-N 1 1 370.450 0.165 20 5 FCBDMO O=C(NCC[NH+]1CCC(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001055576517 1219084491 /nfs/dbraw/zinc/08/44/91/1219084491.db2.gz ZFBMLHZDLUMFST-YCLREWFLSA-N 1 1 364.446 0.395 20 5 FCBDMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc([N+](=O)[O-])ccc1F ZINC000827957549 1219590314 /nfs/dbraw/zinc/59/03/14/1219590314.db2.gz VNYGYNDSYBSMLZ-ZDUSSCGKSA-N 1 1 366.393 0.870 20 5 FCBDMO Cn1nnc2cc(C[N@H+]3CCC4(CN(C(=O)[C@@H]5C[C@H]5[N+](=O)[O-])C4)C3)ccc21 ZINC001072721334 1219619788 /nfs/dbraw/zinc/61/97/88/1219619788.db2.gz NHVYYLQXUIWCQO-CZUORRHYSA-N 1 1 370.413 0.668 20 5 FCBDMO Cn1nnc2cc(C[N@@H+]3CCC4(CN(C(=O)[C@@H]5CC5[N+](=O)[O-])C4)C3)ccc21 ZINC001072721334 1219619791 /nfs/dbraw/zinc/61/97/91/1219619791.db2.gz NHVYYLQXUIWCQO-CZUORRHYSA-N 1 1 370.413 0.668 20 5 FCBDMO Cn1nnc2cc(C[N@H+]3CCC4(CN(C(=O)[C@@H]5CC5[N+](=O)[O-])C4)C3)ccc21 ZINC001072721334 1219619792 /nfs/dbraw/zinc/61/97/92/1219619792.db2.gz NHVYYLQXUIWCQO-CZUORRHYSA-N 1 1 370.413 0.668 20 5 FCBDMO O=C(C[N@@H+]1C[C@H]2C[C@@]2(CO)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000782626520 1221178242 /nfs/dbraw/zinc/17/82/42/1221178242.db2.gz YBERLUCZWKPKRM-KDOFPFPSSA-N 1 1 360.414 0.558 20 5 FCBDMO CN1CC[NH+](Cc2cccc(CNC(=O)Cn3cc([N+](=O)[O-])cn3)c2)CC1 ZINC001115974899 1221328491 /nfs/dbraw/zinc/32/84/91/1221328491.db2.gz BQUKUIVSYDUFQE-UHFFFAOYSA-N 1 1 372.429 0.855 20 5 FCBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001117124683 1221474276 /nfs/dbraw/zinc/47/42/76/1221474276.db2.gz ZKTHOGWUSJPZEL-AWEZNQCLSA-N 1 1 360.414 0.949 20 5 FCBDMO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001117269927 1221500740 /nfs/dbraw/zinc/50/07/40/1221500740.db2.gz YGUPQFUSXREGKC-HNNXBMFYSA-N 1 1 360.414 0.854 20 5 FCBDMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001123667856 1222347950 /nfs/dbraw/zinc/34/79/50/1222347950.db2.gz KPHJUUBSXVUPRK-VNHYZAJKSA-N 1 1 360.418 0.391 20 5 FCBDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000830866311 1222484646 /nfs/dbraw/zinc/48/46/46/1222484646.db2.gz XCSRRZXTKGYXSK-PWSUYJOCSA-N 1 1 369.349 0.918 20 5 FCBDMO COC(=O)c1cc([N+](=O)[O-])cnc1NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001155487581 1223035506 /nfs/dbraw/zinc/03/55/06/1223035506.db2.gz HVJYHSXJHNAKIX-UHFFFAOYSA-N 1 1 374.357 0.439 20 5 FCBDMO O=C(NCCC[NH2+]CCn1cnc2ccccc2c1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157767692 1223081578 /nfs/dbraw/zinc/08/15/78/1223081578.db2.gz RQFSLBLHRXOFJL-UKRRQHHQSA-N 1 1 359.386 0.158 20 5 FCBDMO CN(Cc1ccccc1F)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775013 1223081697 /nfs/dbraw/zinc/08/16/97/1223081697.db2.gz HQLMFFYNJWVTQB-UKRRQHHQSA-N 1 1 366.393 0.545 20 5 FCBDMO Cc1nc(Nc2ccc([N+](=O)[O-])nc2)cc(N2CC[NH+](CCO)CC2)n1 ZINC001203566113 1223294679 /nfs/dbraw/zinc/29/46/79/1223294679.db2.gz DDJCFICBWSHLQG-UHFFFAOYSA-N 1 1 359.390 0.946 20 5 FCBDMO O=C(C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)N1CCCCCC1 ZINC001205224355 1223318153 /nfs/dbraw/zinc/31/81/53/1223318153.db2.gz PUZAXPXTGSGRBL-HZPDHXFCSA-N 1 1 366.462 0.882 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]CCCCCn2cncn2)CC1 ZINC001205229374 1223318499 /nfs/dbraw/zinc/31/84/99/1223318499.db2.gz AQVGTUGKLUOTQZ-HZPDHXFCSA-N 1 1 364.450 0.942 20 5 FCBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000064334055 1245301461 /nfs/dbraw/zinc/30/14/61/1245301461.db2.gz OKRILMSKGCLGHA-UONOGXRCSA-N 1 1 372.385 0.769 20 5 FCBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC001327804038 1265429774 /nfs/dbraw/zinc/42/97/74/1265429774.db2.gz QQHJXZCLOYUEMY-UHFFFAOYSA-N 1 1 360.414 0.950 20 5 FCBDMO CCc1nnc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)o1 ZINC000946589130 1247904889 /nfs/dbraw/zinc/90/48/89/1247904889.db2.gz HWMJITQKOLTIBL-XJFOESAGSA-N 1 1 363.418 0.968 20 5 FCBDMO Cn1ccc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)cc1=O ZINC001034816922 1254004080 /nfs/dbraw/zinc/00/40/80/1254004080.db2.gz WJYILBYRFBNVFK-IAGOWNOFSA-N 1 1 370.409 0.957 20 5 FCBDMO C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001060801314 1254140208 /nfs/dbraw/zinc/14/02/08/1254140208.db2.gz XXWJAHHCARXCIE-KBUPBQIOSA-N 1 1 366.462 0.785 20 5 FCBDMO C[NH+](C)CC1(C(=O)N2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)CC2)CC1 ZINC001061005920 1254148729 /nfs/dbraw/zinc/14/87/29/1254148729.db2.gz MFGAMXQVVYLGPS-ZIAGYGMSSA-N 1 1 364.446 0.444 20 5 FCBDMO Cc1[nH+]ccn1CCCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001062989295 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ZQWDWDCTXUTFHQ-CJNGLKHVSA-N 1 1 364.450 0.940 20 5 FCBDMO C[C@@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC001313427282 1263317330 /nfs/dbraw/zinc/31/73/30/1263317330.db2.gz ZQWDWDCTXUTFHQ-CJNGLKHVSA-N 1 1 364.450 0.940 20 5 FCBDMO O=C(CC[NH+]1CCOCC1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001318136678 1263547517 /nfs/dbraw/zinc/54/75/17/1263547517.db2.gz WEKQYNDOOWPJIN-UHFFFAOYSA-N 1 1 362.430 0.961 20 5 FCBDMO Cc1nn(C)c(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC001318318097 1263563340 /nfs/dbraw/zinc/56/33/40/1263563340.db2.gz WCBURQHAJPYAAK-LBPRGKRZSA-N 1 1 364.406 0.191 20 5 FCBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001321376331 1263948313 /nfs/dbraw/zinc/94/83/13/1263948313.db2.gz QWVQCALKAURVLO-CYBMUJFWSA-N 1 1 364.402 0.468 20 5 FCBDMO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC001322254676 1264175403 /nfs/dbraw/zinc/17/54/03/1264175403.db2.gz UTJBSDAZBIXUOZ-GDBMZVCRSA-N 1 1 360.414 0.997 20 5 FCBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001323239495 1264374198 /nfs/dbraw/zinc/37/41/98/1264374198.db2.gz RKPVJAOPWDNHCH-ZBFHGGJFSA-N 1 1 360.414 0.997 20 5 FCBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001324281573 1264610643 /nfs/dbraw/zinc/61/06/43/1264610643.db2.gz VTDFJTMXXWLXNT-QWHCGFSZSA-N 1 1 366.422 0.144 20 5 FCBDMO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001325650772 1264960144 /nfs/dbraw/zinc/96/01/44/1264960144.db2.gz DSKNINHJAMNLJA-CYBMUJFWSA-N 1 1 360.414 0.854 20 5 FCBDMO CCn1c(CCC[N+](=O)[O-])nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001339353249 1268218824 /nfs/dbraw/zinc/21/88/24/1268218824.db2.gz IJTZSDDOJXJDLH-AWEZNQCLSA-N 1 1 352.439 0.808 20 5 FCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001582803603 1282028492 /nfs/dbraw/zinc/02/84/92/1282028492.db2.gz NMMBBOAJEBIGIF-GFCCVEGCSA-N 1 1 360.378 0.835 20 5 FCBDMO CC(C)[C@H]([NH3+])CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001589465883 1282887387 /nfs/dbraw/zinc/88/73/87/1282887387.db2.gz AHSPHFLURDPQNW-MRVPVSSYSA-N 1 1 355.380 0.037 20 5 FCBDMO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001590196052 1283304886 /nfs/dbraw/zinc/30/48/86/1283304886.db2.gz GHQSIYZDJQCLTB-IUCAKERBSA-N 1 1 367.391 0.275 20 5 FCBDMO C[N@@H+](CCNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-])CCOCCO ZINC001591106116 1284179323 /nfs/dbraw/zinc/17/93/23/1284179323.db2.gz SKUMVJSSXJNJQJ-UHFFFAOYSA-N 1 1 351.367 0.128 20 5 FCBDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)C1 ZINC001591177248 1284273237 /nfs/dbraw/zinc/27/32/37/1284273237.db2.gz YGAPRGHTVVQSHW-VIFPVBQESA-N 1 1 367.391 0.005 20 5 FCBDMO Cn1cc[nH+]c1N1CCN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001592585717 1285509327 /nfs/dbraw/zinc/50/93/27/1285509327.db2.gz QFLOXIDLSIJJTM-UHFFFAOYSA-N 1 1 356.350 0.230 20 5 FCBDMO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001592967500 1285850738 /nfs/dbraw/zinc/85/07/38/1285850738.db2.gz PGYHESJBLUBXKH-ZDUSSCGKSA-N 1 1 372.389 0.811 20 5 FCBDMO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001592967500 1285850749 /nfs/dbraw/zinc/85/07/49/1285850749.db2.gz PGYHESJBLUBXKH-ZDUSSCGKSA-N 1 1 372.389 0.811 20 5 FCBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ncc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC2)C1 ZINC001609284365 1289046275 /nfs/dbraw/zinc/04/62/75/1289046275.db2.gz MJOASXITRYNYTH-CYBMUJFWSA-N 1 1 373.421 0.386 20 5 FCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001593193209 1286035670 /nfs/dbraw/zinc/03/56/70/1286035670.db2.gz CZHOCEIWBOZTKH-QMIVOQANSA-N 1 1 369.385 0.078 20 5 FCBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001593193209 1286035676 /nfs/dbraw/zinc/03/56/76/1286035676.db2.gz CZHOCEIWBOZTKH-QMIVOQANSA-N 1 1 369.385 0.078 20 5 FCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001593193209 1286035687 /nfs/dbraw/zinc/03/56/87/1286035687.db2.gz CZHOCEIWBOZTKH-QMIVOQANSA-N 1 1 369.385 0.078 20 5 FCBDMO O=[N+]([O-])c1sc(-c2nn[nH]n2)cc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001593487744 1286175644 /nfs/dbraw/zinc/17/56/44/1286175644.db2.gz KNQDZCQDQAVNPI-JTQLQIEISA-N 1 1 365.419 0.872 20 5 FCBDMO C[N@H+]1CCN(CCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1(C)C ZINC001604866232 1287804344 /nfs/dbraw/zinc/80/43/44/1287804344.db2.gz IQENVYPSOQOSOU-UHFFFAOYSA-N 1 1 361.410 0.608 20 5 FCBDMO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001606653815 1288425081 /nfs/dbraw/zinc/42/50/81/1288425081.db2.gz SHMBDIMEYZDOKI-NSHDSACASA-N 1 1 372.389 0.811 20 5 FCBDMO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001606653815 1288425083 /nfs/dbraw/zinc/42/50/83/1288425083.db2.gz SHMBDIMEYZDOKI-NSHDSACASA-N 1 1 372.389 0.811 20 5 FCBDMO O=C1NCCN1[C@H]1CCC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001607053324 1288622789 /nfs/dbraw/zinc/62/27/89/1288622789.db2.gz PHLZKCGXSKSTEI-NSHDSACASA-N 1 1 372.389 0.765 20 5 FCBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001607083452 1288652655 /nfs/dbraw/zinc/65/26/55/1288652655.db2.gz GURXNVJXDACJAV-LBPRGKRZSA-N 1 1 359.390 0.810 20 5 FCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)c1-c1nn[nH]n1 ZINC001607085184 1288653948 /nfs/dbraw/zinc/65/39/48/1288653948.db2.gz LXOIGYMYCLYALG-VIFPVBQESA-N 1 1 367.391 0.053 20 5 FCBDMO CC(C)(CC[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001609083538 1288909429 /nfs/dbraw/zinc/90/94/29/1288909429.db2.gz IDTQNXCNSNLOGL-UHFFFAOYSA-N 1 1 355.380 0.181 20 5 FCBDMO CC(C)[N@@H+](C)CC(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001756235693 1290651056 /nfs/dbraw/zinc/65/10/56/1290651056.db2.gz CZUYPGUZANZIGM-ZIAGYGMSSA-N 1 1 352.435 0.443 20 5 FCBDMO 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COc1nc(N2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)nc(OC)c1[N+](=O)[O-] ZINC001164925292 721862720 /nfs/dbraw/zinc/86/27/20/721862720.db2.gz NMCPOAYGMRSKQI-RYUDHWBXSA-N 1 1 366.422 0.617 20 5 FCBDMO CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001069571469 837532749 /nfs/dbraw/zinc/53/27/49/837532749.db2.gz URNFERZVIMODHP-ZIAGYGMSSA-N 1 1 354.451 0.881 20 5 FCBDMO CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001060839439 836673086 /nfs/dbraw/zinc/67/30/86/836673086.db2.gz WJSUZKXPMMOTSO-KBUPBQIOSA-N 1 1 354.451 0.785 20 5 FCBDMO CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060839439 836673090 /nfs/dbraw/zinc/67/30/90/836673090.db2.gz WJSUZKXPMMOTSO-KBUPBQIOSA-N 1 1 354.451 0.785 20 5 FCBDMO CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060839439 836673091 /nfs/dbraw/zinc/67/30/91/836673091.db2.gz WJSUZKXPMMOTSO-KBUPBQIOSA-N 1 1 354.451 0.785 20 5 FCBDMO 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ZINC000295269089 214288022 /nfs/dbraw/zinc/28/80/22/214288022.db2.gz LVCKDIWCJDLKLV-LBPRGKRZSA-N 1 1 373.431 0.729 20 5 FCBDMO COc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c([N+](=O)[O-])c1 ZINC000295269089 214288024 /nfs/dbraw/zinc/28/80/24/214288024.db2.gz LVCKDIWCJDLKLV-LBPRGKRZSA-N 1 1 373.431 0.729 20 5 FCBDMO COc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c([N+](=O)[O-])c1 ZINC000295269087 214288312 /nfs/dbraw/zinc/28/83/12/214288312.db2.gz LVCKDIWCJDLKLV-GFCCVEGCSA-N 1 1 373.431 0.729 20 5 FCBDMO COc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c([N+](=O)[O-])c1 ZINC000295269087 214288313 /nfs/dbraw/zinc/28/83/13/214288313.db2.gz LVCKDIWCJDLKLV-GFCCVEGCSA-N 1 1 373.431 0.729 20 5 FCBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000332396668 215143387 /nfs/dbraw/zinc/14/33/87/215143387.db2.gz WZLVPKBKJRQPRN-RYUDHWBXSA-N 1 1 362.386 0.871 20 5 FCBDMO C[C@H]1C[N@@H+](C2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000360889872 215374838 /nfs/dbraw/zinc/37/48/38/215374838.db2.gz WBERQHGAROLFNH-XJKSGUPXSA-N 1 1 353.423 0.337 20 5 FCBDMO C[C@H]1C[N@H+](C2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000360889872 215374842 /nfs/dbraw/zinc/37/48/42/215374842.db2.gz WBERQHGAROLFNH-XJKSGUPXSA-N 1 1 353.423 0.337 20 5 FCBDMO Cc1nn(CCC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(C)c1[N+](=O)[O-] ZINC000361504559 215396018 /nfs/dbraw/zinc/39/60/18/215396018.db2.gz VQCPXYXZBRCXJS-ZIAGYGMSSA-N 1 1 351.407 0.778 20 5 FCBDMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2)CC1 ZINC000285180037 213297773 /nfs/dbraw/zinc/29/77/73/213297773.db2.gz SOMOGBKPRLQDJG-UHFFFAOYSA-N 1 1 372.385 0.887 20 5 FCBDMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000284901822 213245078 /nfs/dbraw/zinc/24/50/78/213245078.db2.gz GFVDAXFZNWORDJ-HZPDHXFCSA-N 1 1 369.443 0.872 20 5 FCBDMO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)ccc1[N+](=O)[O-] ZINC000411547019 237003464 /nfs/dbraw/zinc/00/34/64/237003464.db2.gz BTPOHMLIDNLPFM-CQSZACIVSA-N 1 1 362.386 0.821 20 5 FCBDMO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)ccc1[N+](=O)[O-] ZINC000411547019 237003474 /nfs/dbraw/zinc/00/34/74/237003474.db2.gz BTPOHMLIDNLPFM-CQSZACIVSA-N 1 1 362.386 0.821 20 5 FCBDMO Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000411592854 237013892 /nfs/dbraw/zinc/01/38/92/237013892.db2.gz YGFUASLRTHBRNI-BETUJISGSA-N 1 1 364.402 0.755 20 5 FCBDMO Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000411592854 237013898 /nfs/dbraw/zinc/01/38/98/237013898.db2.gz YGFUASLRTHBRNI-BETUJISGSA-N 1 1 364.402 0.755 20 5 FCBDMO Cc1nn(CCC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000246758787 209398480 /nfs/dbraw/zinc/39/84/80/209398480.db2.gz ONUSFFOPSAFGMF-RYUDHWBXSA-N 1 1 353.423 0.712 20 5 FCBDMO CC[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C[C@H](C)O ZINC000246683734 209396413 /nfs/dbraw/zinc/39/64/13/209396413.db2.gz BAGLGIVJNPEUDL-STQMWFEESA-N 1 1 352.391 0.060 20 5 FCBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCNS(=O)(=O)NC(C)C ZINC000276947947 212309681 /nfs/dbraw/zinc/30/96/81/212309681.db2.gz BPGIXSVKFFQRLG-UHFFFAOYSA-N 1 1 360.436 0.916 20 5 FCBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000186952210 209201970 /nfs/dbraw/zinc/20/19/70/209201970.db2.gz KPVHKPBNPPOWIL-GFCCVEGCSA-N 1 1 352.391 0.060 20 5 FCBDMO O=C(C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)C(F)(F)F ZINC000186003954 209183111 /nfs/dbraw/zinc/18/31/11/209183111.db2.gz FMYQXVUCEQGGAU-NSHDSACASA-N 1 1 350.297 0.996 20 5 FCBDMO CN(C)c1noc([C@H]2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000374636956 217152545 /nfs/dbraw/zinc/15/25/45/217152545.db2.gz PFBNSPZLSOPRJQ-AAEUAGOBSA-N 1 1 365.394 0.481 20 5 FCBDMO Cn1nc2c(cc1=O)C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000182250246 209128734 /nfs/dbraw/zinc/12/87/34/209128734.db2.gz YZCNNAAESLEKSW-CYBMUJFWSA-N 1 1 360.370 0.487 20 5 FCBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000181913286 209124233 /nfs/dbraw/zinc/12/42/33/209124233.db2.gz RIDGFXQFRPWHSV-HZPDHXFCSA-N 1 1 365.430 0.989 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000375963689 217338060 /nfs/dbraw/zinc/33/80/60/217338060.db2.gz RWXFQWNEHZXZLP-HOTGVXAUSA-N 1 1 350.350 0.885 20 5 FCBDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000270583715 211228006 /nfs/dbraw/zinc/22/80/06/211228006.db2.gz RGQVLDSRDCIBLZ-UONOGXRCSA-N 1 1 366.418 0.620 20 5 FCBDMO O=C(C[NH+]1CCC2(CC1)NC(=O)NC2=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000270564218 211224751 /nfs/dbraw/zinc/22/47/51/211224751.db2.gz YJHRKFQFEMSHBX-UHFFFAOYSA-N 1 1 373.369 0.158 20 5 FCBDMO COc1cc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000470013582 250021005 /nfs/dbraw/zinc/02/10/05/250021005.db2.gz YOHSYWHAVQKDJP-LBPRGKRZSA-N 1 1 366.418 0.899 20 5 FCBDMO COC(=O)[C@H]1CN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000411910869 533009795 /nfs/dbraw/zinc/00/97/95/533009795.db2.gz GZWQLEURZURIGS-CHWSQXEVSA-N 1 1 364.402 0.958 20 5 FCBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000068605945 208028536 /nfs/dbraw/zinc/02/85/36/208028536.db2.gz NBBQYCUPDMMQLD-UHFFFAOYSA-N 1 1 374.401 0.754 20 5 FCBDMO C[C@H](c1cccnc1)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075766904 208061708 /nfs/dbraw/zinc/06/17/08/208061708.db2.gz NERKESZYFCGXMH-PBHICJAKSA-N 1 1 360.418 0.926 20 5 FCBDMO Cc1nn(C)c(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000098104593 208161978 /nfs/dbraw/zinc/16/19/78/208161978.db2.gz YRXXYGVFDFXBSG-GFCCVEGCSA-N 1 1 364.406 0.015 20 5 FCBDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000266709204 210386820 /nfs/dbraw/zinc/38/68/20/210386820.db2.gz XVEOBMIPEXGDLS-CYBMUJFWSA-N 1 1 350.375 0.679 20 5 FCBDMO C[C@H]([NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000266757738 210397276 /nfs/dbraw/zinc/39/72/76/210397276.db2.gz SGJWNQGOQMDDFA-NOLJZWGESA-N 1 1 369.443 0.743 20 5 FCBDMO NC(=O)c1ccc(C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000266509642 210346728 /nfs/dbraw/zinc/34/67/28/210346728.db2.gz YCOKMVJDOOTRBK-INIZCTEOSA-N 1 1 359.386 0.916 20 5 FCBDMO C[C@@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000150729156 208711002 /nfs/dbraw/zinc/71/10/02/208711002.db2.gz XHLNVAUKUAYGFO-ZDUSSCGKSA-N 1 1 374.401 0.874 20 5 FCBDMO COC(=O)[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)C1 ZINC000411907677 533487398 /nfs/dbraw/zinc/48/73/98/533487398.db2.gz DDHIZGPBLVPMAN-ZDUSSCGKSA-N 1 1 364.402 0.594 20 5 FCBDMO C[NH+](C)CCN1CCC(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000193592468 229269686 /nfs/dbraw/zinc/26/96/86/229269686.db2.gz LYCOZGYTXOUJBV-UHFFFAOYSA-N 1 1 351.407 0.699 20 5 FCBDMO CCOC(=O)CN1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000363652243 488868652 /nfs/dbraw/zinc/86/86/52/488868652.db2.gz RFQKXMOYLRAXIE-UHFFFAOYSA-N 1 1 352.347 0.406 20 5 FCBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000363691740 488874972 /nfs/dbraw/zinc/87/49/72/488874972.db2.gz LDZMLZFNDWBYAG-NEPJUHHUSA-N 1 1 363.370 0.959 20 5 FCBDMO CCc1n[nH]c(C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000278427573 488875259 /nfs/dbraw/zinc/87/52/59/488875259.db2.gz CQMNWCTXEWBDRF-SNVBAGLBSA-N 1 1 373.435 0.071 20 5 FCBDMO CCc1[nH]nc(C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000278427573 488875261 /nfs/dbraw/zinc/87/52/61/488875261.db2.gz CQMNWCTXEWBDRF-SNVBAGLBSA-N 1 1 373.435 0.071 20 5 FCBDMO COc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000363690266 488874075 /nfs/dbraw/zinc/87/40/75/488874075.db2.gz IDFGNPAAXZERRR-WCQYABFASA-N 1 1 371.415 0.745 20 5 FCBDMO COc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000363690266 488874077 /nfs/dbraw/zinc/87/40/77/488874077.db2.gz IDFGNPAAXZERRR-WCQYABFASA-N 1 1 371.415 0.745 20 5 FCBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000326330821 488914577 /nfs/dbraw/zinc/91/45/77/488914577.db2.gz GWAZIMCHMNRJBL-WDEREUQCSA-N 1 1 359.379 0.875 20 5 FCBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000326330821 488914580 /nfs/dbraw/zinc/91/45/80/488914580.db2.gz GWAZIMCHMNRJBL-WDEREUQCSA-N 1 1 359.379 0.875 20 5 FCBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)COC[C@H]3CCCO3)CC2)cn1 ZINC000027231655 487691130 /nfs/dbraw/zinc/69/11/30/487691130.db2.gz OCQLTONFSYZRAZ-JKSUJKDBSA-N 1 1 366.418 0.668 20 5 FCBDMO CS(=O)(=O)N1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000043614484 487900266 /nfs/dbraw/zinc/90/02/66/487900266.db2.gz FOWUXHHTOVOUIM-AWEZNQCLSA-N 1 1 373.431 0.302 20 5 FCBDMO CS(=O)(=O)N1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000043614484 487900271 /nfs/dbraw/zinc/90/02/71/487900271.db2.gz FOWUXHHTOVOUIM-AWEZNQCLSA-N 1 1 373.431 0.302 20 5 FCBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000047975131 488052307 /nfs/dbraw/zinc/05/23/07/488052307.db2.gz OSGBVNYAEYLMQI-INIZCTEOSA-N 1 1 360.414 0.902 20 5 FCBDMO CC1(C)C[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1O ZINC000279711315 488963295 /nfs/dbraw/zinc/96/32/95/488963295.db2.gz HYZQTZKFDKTISW-MRXNPFEDSA-N 1 1 362.430 0.946 20 5 FCBDMO CS(=O)(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000052670861 488176169 /nfs/dbraw/zinc/17/61/69/488176169.db2.gz SEMYBDVQWXUPLV-OCCSQVGLSA-N 1 1 373.431 0.348 20 5 FCBDMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000052670861 488176173 /nfs/dbraw/zinc/17/61/73/488176173.db2.gz SEMYBDVQWXUPLV-OCCSQVGLSA-N 1 1 373.431 0.348 20 5 FCBDMO Cc1c(C(=O)NCCC[NH+]2CCOCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000069181616 488371464 /nfs/dbraw/zinc/37/14/64/488371464.db2.gz XZUVLRIHVVOOGP-UHFFFAOYSA-N 1 1 374.401 0.936 20 5 FCBDMO COc1ccc(CC(=O)NCCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000069544052 488373277 /nfs/dbraw/zinc/37/32/77/488373277.db2.gz ZTZCWYJHDXKMGJ-UHFFFAOYSA-N 1 1 350.419 0.900 20 5 FCBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000076454074 488404780 /nfs/dbraw/zinc/40/47/80/488404780.db2.gz VKQNCOCYFSGYGO-CQSZACIVSA-N 1 1 366.422 0.240 20 5 FCBDMO CN1C(=O)CC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000569836996 491196772 /nfs/dbraw/zinc/19/67/72/491196772.db2.gz CQEHABYAKDOPIN-LBPRGKRZSA-N 1 1 355.372 0.106 20 5 FCBDMO CN(C)CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000077841658 488418884 /nfs/dbraw/zinc/41/88/84/488418884.db2.gz OTXZELZLWNYPKS-UHFFFAOYSA-N 1 1 363.418 0.676 20 5 FCBDMO CCc1n[nH]c(C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000268482156 488422988 /nfs/dbraw/zinc/42/29/88/488422988.db2.gz ZAIAGZNCJHZXQK-LBPRGKRZSA-N 1 1 352.439 0.884 20 5 FCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000269137908 488472868 /nfs/dbraw/zinc/47/28/68/488472868.db2.gz KODAIQVKZNNKET-INIZCTEOSA-N 1 1 359.386 0.809 20 5 FCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000269137908 488472871 /nfs/dbraw/zinc/47/28/71/488472871.db2.gz KODAIQVKZNNKET-INIZCTEOSA-N 1 1 359.386 0.809 20 5 FCBDMO O=C(NCc1ccco1)[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247451240 488485899 /nfs/dbraw/zinc/48/58/99/488485899.db2.gz HNFZZNDGHQLKLW-UKRRQHHQSA-N 1 1 363.374 0.526 20 5 FCBDMO O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247451240 488485902 /nfs/dbraw/zinc/48/59/02/488485902.db2.gz HNFZZNDGHQLKLW-UKRRQHHQSA-N 1 1 363.374 0.526 20 5 FCBDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247490618 488486244 /nfs/dbraw/zinc/48/62/44/488486244.db2.gz KXBNTENQOKLWLN-DZGCQCFKSA-N 1 1 353.423 0.636 20 5 FCBDMO CC(C)(C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)n1cc([N+](=O)[O-])cn1 ZINC000104382363 488504682 /nfs/dbraw/zinc/50/46/82/488504682.db2.gz NXTMXMFCNIDCAA-GFCCVEGCSA-N 1 1 366.422 0.230 20 5 FCBDMO CNS(=O)(=O)c1ccc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000249853688 488514852 /nfs/dbraw/zinc/51/48/52/488514852.db2.gz NYBAGXOTMAUAQS-RYUDHWBXSA-N 1 1 370.431 0.778 20 5 FCBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000252465861 488517773 /nfs/dbraw/zinc/51/77/73/488517773.db2.gz PPJKPZBMYVVZKJ-DOTOQJQBSA-N 1 1 365.430 0.989 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000110442685 488525680 /nfs/dbraw/zinc/52/56/80/488525680.db2.gz BQIYALQTEGUNTJ-CYBMUJFWSA-N 1 1 364.402 0.677 20 5 FCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@H](C)C1 ZINC000271698257 488539832 /nfs/dbraw/zinc/53/98/32/488539832.db2.gz GVHJXCFAFLZHKE-LLVKDONJSA-N 1 1 350.375 0.886 20 5 FCBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@H](C)C1 ZINC000271698257 488539833 /nfs/dbraw/zinc/53/98/33/488539833.db2.gz GVHJXCFAFLZHKE-LLVKDONJSA-N 1 1 350.375 0.886 20 5 FCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000271735564 488542934 /nfs/dbraw/zinc/54/29/34/488542934.db2.gz OGCDVCWNIAKCNC-GFCCVEGCSA-N 1 1 353.379 0.277 20 5 FCBDMO COC(=O)CC[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000271735564 488542935 /nfs/dbraw/zinc/54/29/35/488542935.db2.gz OGCDVCWNIAKCNC-GFCCVEGCSA-N 1 1 353.379 0.277 20 5 FCBDMO COCC[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H](C)C(N)=O ZINC000117340243 488550620 /nfs/dbraw/zinc/55/06/20/488550620.db2.gz ONGWIMQLHWSMEB-LLVKDONJSA-N 1 1 366.374 0.715 20 5 FCBDMO C[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000119024826 488555158 /nfs/dbraw/zinc/55/51/58/488555158.db2.gz QZBSTRXQBKITCZ-IAQYHMDHSA-N 1 1 360.374 0.624 20 5 FCBDMO C[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000119024826 488555160 /nfs/dbraw/zinc/55/51/60/488555160.db2.gz QZBSTRXQBKITCZ-IAQYHMDHSA-N 1 1 360.374 0.624 20 5 FCBDMO Cc1c(C(=O)NCC2=CC[N@@H+](C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000271990033 488557357 /nfs/dbraw/zinc/55/73/57/488557357.db2.gz PWPWOJDMRCNACG-UHFFFAOYSA-N 1 1 368.415 0.542 20 5 FCBDMO C[C@](O)(CNC(=O)CCc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000121653584 488569904 /nfs/dbraw/zinc/56/99/04/488569904.db2.gz BVDAWMQCZYDFNA-KRWDZBQOSA-N 1 1 351.403 0.727 20 5 FCBDMO CCC[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1CCOC ZINC000121712361 488570335 /nfs/dbraw/zinc/57/03/35/488570335.db2.gz VJQXGVPKYSGORV-HOCLYGCPSA-N 1 1 355.439 0.585 20 5 FCBDMO CCC[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CCOC ZINC000121712361 488570338 /nfs/dbraw/zinc/57/03/38/488570338.db2.gz VJQXGVPKYSGORV-HOCLYGCPSA-N 1 1 355.439 0.585 20 5 FCBDMO CCC[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CCOC ZINC000121712361 488570339 /nfs/dbraw/zinc/57/03/39/488570339.db2.gz VJQXGVPKYSGORV-HOCLYGCPSA-N 1 1 355.439 0.585 20 5 FCBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000262511978 488574503 /nfs/dbraw/zinc/57/45/03/488574503.db2.gz KIEGYQPXBYDSIA-LBPRGKRZSA-N 1 1 362.386 0.640 20 5 FCBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262533953 488575873 /nfs/dbraw/zinc/57/58/73/488575873.db2.gz PWQVGQQGWSITEY-CQSZACIVSA-N 1 1 362.386 0.396 20 5 FCBDMO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1[nH]ncc1[N+](=O)[O-] ZINC000272420646 488579763 /nfs/dbraw/zinc/57/97/63/488579763.db2.gz HMPUOGJVMCRJRI-KBPBESRZSA-N 1 1 359.386 0.931 20 5 FCBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1n[nH]cc1[N+](=O)[O-] ZINC000272420646 488579764 /nfs/dbraw/zinc/57/97/64/488579764.db2.gz HMPUOGJVMCRJRI-KBPBESRZSA-N 1 1 359.386 0.931 20 5 FCBDMO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1n[nH]cc1[N+](=O)[O-] ZINC000272420646 488579766 /nfs/dbraw/zinc/57/97/66/488579766.db2.gz HMPUOGJVMCRJRI-KBPBESRZSA-N 1 1 359.386 0.931 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000126992887 488613402 /nfs/dbraw/zinc/61/34/02/488613402.db2.gz LAJMKRGGLKYNKY-HZPDHXFCSA-N 1 1 373.413 0.851 20 5 FCBDMO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[N@H+](C)CC1 ZINC000273127528 488633615 /nfs/dbraw/zinc/63/36/15/488633615.db2.gz ICWMFZVALZIWCM-UHFFFAOYSA-N 1 1 357.388 0.708 20 5 FCBDMO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[N@@H+](C)CC1 ZINC000273127528 488633617 /nfs/dbraw/zinc/63/36/17/488633617.db2.gz ICWMFZVALZIWCM-UHFFFAOYSA-N 1 1 357.388 0.708 20 5 FCBDMO C[C@@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000273487195 488653953 /nfs/dbraw/zinc/65/39/53/488653953.db2.gz OFIJQDKADFDZPK-NSHDSACASA-N 1 1 358.420 0.622 20 5 FCBDMO C[C@@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C[NH+]1CCOCC1 ZINC000134042417 488663664 /nfs/dbraw/zinc/66/36/64/488663664.db2.gz MMGSCVDGAMSRLQ-ZDUSSCGKSA-N 1 1 374.401 0.874 20 5 FCBDMO O=C(NC1CC1)N[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000273629933 488663669 /nfs/dbraw/zinc/66/36/69/488663669.db2.gz BJZKRMRXJSNUND-ZFWWWQNUSA-N 1 1 364.402 0.870 20 5 FCBDMO COCC[N@H+]1CC[C@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000264476925 488677668 /nfs/dbraw/zinc/67/76/68/488677668.db2.gz HDVDAGTUJMMMKO-AWEZNQCLSA-N 1 1 364.402 0.552 20 5 FCBDMO O=C(NC1CC1)N[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273994393 488678304 /nfs/dbraw/zinc/67/83/04/488678304.db2.gz MHCWFSIMDLECHJ-UONOGXRCSA-N 1 1 364.402 0.870 20 5 FCBDMO CN(C)c1nc(N2CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000570104638 491216820 /nfs/dbraw/zinc/21/68/20/491216820.db2.gz MYJUJYAFQIBEFX-UHFFFAOYSA-N 1 1 372.389 0.390 20 5 FCBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000264659460 488695581 /nfs/dbraw/zinc/69/55/81/488695581.db2.gz YIIPDFVAGODJMM-CYBMUJFWSA-N 1 1 370.431 0.521 20 5 FCBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000264659460 488695582 /nfs/dbraw/zinc/69/55/82/488695582.db2.gz YIIPDFVAGODJMM-CYBMUJFWSA-N 1 1 370.431 0.521 20 5 FCBDMO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000274316746 488697804 /nfs/dbraw/zinc/69/78/04/488697804.db2.gz XVLISEQRFKAYPX-CQSZACIVSA-N 1 1 355.416 0.786 20 5 FCBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000151703064 488708867 /nfs/dbraw/zinc/70/88/67/488708867.db2.gz YAENOGZDEHMSQD-CHWSQXEVSA-N 1 1 368.438 0.978 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000264782057 488710914 /nfs/dbraw/zinc/71/09/14/488710914.db2.gz YIPRLCHBTRIBQU-CQSZACIVSA-N 1 1 351.407 0.648 20 5 FCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[NH+]1CCSCC1 ZINC000264798458 488713478 /nfs/dbraw/zinc/71/34/78/488713478.db2.gz MJLVCNYBZFKKAV-LBPRGKRZSA-N 1 1 366.443 0.878 20 5 FCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 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/nfs/dbraw/zinc/79/75/51/488797551.db2.gz ABKQDMRPIMOGOF-AWEZNQCLSA-N 1 1 366.418 0.548 20 5 FCBDMO C[NH+]1CCN([C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)c2ccccc2)CC1 ZINC000164423359 488810479 /nfs/dbraw/zinc/81/04/79/488810479.db2.gz SQJJPLPRRIHFFI-KRWDZBQOSA-N 1 1 372.429 0.896 20 5 FCBDMO Cn1c(=O)cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n(C)c1=O ZINC000172358291 488833416 /nfs/dbraw/zinc/83/34/16/488833416.db2.gz CRDWWENRWHEZTP-LLVKDONJSA-N 1 1 360.374 0.074 20 5 FCBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1ccc(CO)o1 ZINC000174404600 488848887 /nfs/dbraw/zinc/84/88/87/488848887.db2.gz RRTGNQOEIOFUPZ-UHFFFAOYSA-N 1 1 355.372 0.748 20 5 FCBDMO CN1CCN(CCC[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000174729264 488850806 /nfs/dbraw/zinc/85/08/06/488850806.db2.gz PFBMSGXJIYDKCY-KRWDZBQOSA-N 1 1 366.462 0.904 20 5 FCBDMO CN1CCN(CCC[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000174729264 488850807 /nfs/dbraw/zinc/85/08/07/488850807.db2.gz PFBMSGXJIYDKCY-KRWDZBQOSA-N 1 1 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CNS(=O)(=O)c1ccc(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000610909374 492269081 /nfs/dbraw/zinc/26/90/81/492269081.db2.gz DINWKAQHYQIDLB-YGRLFVJLSA-N 1 1 358.420 0.634 20 5 FCBDMO Cc1cc(OCC(=O)N(C)CC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000619535688 492269076 /nfs/dbraw/zinc/26/90/76/492269076.db2.gz IBVDQDRHQANXSN-UHFFFAOYSA-N 1 1 364.402 0.514 20 5 FCBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000611527853 492289570 /nfs/dbraw/zinc/28/95/70/492289570.db2.gz QZQGLFUNLLJWLE-CQSZACIVSA-N 1 1 361.402 0.731 20 5 FCBDMO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000175475300 528886952 /nfs/dbraw/zinc/88/69/52/528886952.db2.gz YGAHHBGTJSWYSL-CYBMUJFWSA-N 1 1 372.385 0.911 20 5 FCBDMO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000175475300 528886957 /nfs/dbraw/zinc/88/69/57/528886957.db2.gz YGAHHBGTJSWYSL-CYBMUJFWSA-N 1 1 372.385 0.911 20 5 FCBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@@H]2C1 ZINC000425053609 536487958 /nfs/dbraw/zinc/48/79/58/536487958.db2.gz YIWGIPAYRGPCFG-SMDDNHRTSA-N 1 1 372.381 0.743 20 5 FCBDMO CCc1n[nH]c(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000553673339 547330746 /nfs/dbraw/zinc/33/07/46/547330746.db2.gz RXNUNCNNNZNSSU-JTQLQIEISA-N 1 1 352.395 0.198 20 5 FCBDMO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000420420533 547340501 /nfs/dbraw/zinc/34/05/01/547340501.db2.gz NXODIYRBAUVMOW-NXEZZACHSA-N 1 1 357.388 0.752 20 5 FCBDMO C[NH+]1CCC(C(=O)N2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000949116580 674394884 /nfs/dbraw/zinc/39/48/84/674394884.db2.gz WPIWVWBNLXSRHX-HUUCEWRRSA-N 1 1 352.435 0.348 20 5 FCBDMO CCOCC[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1C ZINC000736623105 598501665 /nfs/dbraw/zinc/50/16/65/598501665.db2.gz ADGXYDHBCRDGQT-NSHDSACASA-N 1 1 362.394 0.717 20 5 FCBDMO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000821609708 599304018 /nfs/dbraw/zinc/30/40/18/599304018.db2.gz IMCDAYDPGMQJJQ-CQSZACIVSA-N 1 1 358.362 0.464 20 5 FCBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1[NH+]1CCOCC1 ZINC000820775885 606226887 /nfs/dbraw/zinc/22/68/87/606226887.db2.gz JQTQNJNMMDIYSK-XHDPSFHLSA-N 1 1 359.390 0.932 20 5 FCBDMO CC[C@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000820995890 606708088 /nfs/dbraw/zinc/70/80/88/606708088.db2.gz ZVFRMEOSLFWNGV-NSHDSACASA-N 1 1 362.394 0.717 20 5 FCBDMO O=C(N[C@H]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000979035703 664453032 /nfs/dbraw/zinc/45/30/32/664453032.db2.gz VSOUXZHURSUSCA-XJFOESAGSA-N 1 1 350.419 0.291 20 5 FCBDMO CC(=O)Nc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cs1 ZINC000983657658 664980362 /nfs/dbraw/zinc/98/03/62/664980362.db2.gz LBTQICOYHLKGGH-FPQZTECRSA-N 1 1 367.431 0.751 20 5 FCBDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC2)CC1 ZINC000896229875 665077099 /nfs/dbraw/zinc/07/70/99/665077099.db2.gz KLLWFJBPRMKOPW-UHFFFAOYSA-N 1 1 355.439 0.334 20 5 FCBDMO COc1ccc(CC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000896564057 665094786 /nfs/dbraw/zinc/09/47/86/665094786.db2.gz NNACJRPNNNUFTP-SWLSCSKDSA-N 1 1 350.419 0.896 20 5 FCBDMO COc1ccc(CC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000896564057 665094791 /nfs/dbraw/zinc/09/47/91/665094791.db2.gz NNACJRPNNNUFTP-SWLSCSKDSA-N 1 1 350.419 0.896 20 5 FCBDMO COc1ccc(CC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000896564057 665094793 /nfs/dbraw/zinc/09/47/93/665094793.db2.gz NNACJRPNNNUFTP-SWLSCSKDSA-N 1 1 350.419 0.896 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2noc3c2COCC3)CC1 ZINC000996441325 666920750 /nfs/dbraw/zinc/92/07/50/666920750.db2.gz PVPALJKFQBNZFY-BXUZGUMPSA-N 1 1 350.375 0.493 20 5 FCBDMO Cc1cc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000920009798 667218907 /nfs/dbraw/zinc/21/89/07/667218907.db2.gz MXNDRHHOKGJVIO-SWLSCSKDSA-N 1 1 356.448 0.816 20 5 FCBDMO Cc1cc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000920009798 667218909 /nfs/dbraw/zinc/21/89/09/667218909.db2.gz MXNDRHHOKGJVIO-SWLSCSKDSA-N 1 1 356.448 0.816 20 5 FCBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000920018496 667219641 /nfs/dbraw/zinc/21/96/41/667219641.db2.gz GTKYZBZMQZDZGU-OCCSQVGLSA-N 1 1 356.448 0.816 20 5 FCBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000920018496 667219643 /nfs/dbraw/zinc/21/96/43/667219643.db2.gz GTKYZBZMQZDZGU-OCCSQVGLSA-N 1 1 356.448 0.816 20 5 FCBDMO Cc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000920023141 667220780 /nfs/dbraw/zinc/22/07/80/667220780.db2.gz XWLYSCHXVMDZRA-WFASDCNBSA-N 1 1 356.448 0.816 20 5 FCBDMO Cc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000920023141 667220784 /nfs/dbraw/zinc/22/07/84/667220784.db2.gz XWLYSCHXVMDZRA-WFASDCNBSA-N 1 1 356.448 0.816 20 5 FCBDMO O=C(C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2)NC1CC1 ZINC001035186689 667775347 /nfs/dbraw/zinc/77/53/47/667775347.db2.gz JLTIBJQYUUZGNY-ZIAGYGMSSA-N 1 1 350.419 0.245 20 5 FCBDMO O=C(C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2)NC1CC1 ZINC001035186689 667775349 /nfs/dbraw/zinc/77/53/49/667775349.db2.gz JLTIBJQYUUZGNY-ZIAGYGMSSA-N 1 1 350.419 0.245 20 5 FCBDMO O=C(C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2)NC1CC1 ZINC001035186689 667775352 /nfs/dbraw/zinc/77/53/52/667775352.db2.gz JLTIBJQYUUZGNY-ZIAGYGMSSA-N 1 1 350.419 0.245 20 5 FCBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000742254861 668030630 /nfs/dbraw/zinc/03/06/30/668030630.db2.gz HLBPWGBRCFUWBI-GXTWGEPZSA-N 1 1 370.431 0.278 20 5 FCBDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000773960218 668115039 /nfs/dbraw/zinc/11/50/39/668115039.db2.gz DZXXXKDQFWPSIL-XYPHTWIQSA-N 1 1 354.403 0.974 20 5 FCBDMO CC(C)S(=O)(=O)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000819315929 668997109 /nfs/dbraw/zinc/99/71/09/668997109.db2.gz BOAOECVQIHAIDR-UHFFFAOYSA-N 1 1 364.445 0.781 20 5 FCBDMO CCc1[nH]nc(C(=O)O[C@@H](C)C(=O)N2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000795610633 669047845 /nfs/dbraw/zinc/04/78/45/669047845.db2.gz AYTZJOLSRYCNRX-JTQLQIEISA-N 1 1 353.379 0.590 20 5 FCBDMO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000796549932 669107344 /nfs/dbraw/zinc/10/73/44/669107344.db2.gz RHUMGWMKBRWDOS-JSGCOSHPSA-N 1 1 355.395 0.705 20 5 FCBDMO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000796549930 669107500 /nfs/dbraw/zinc/10/75/00/669107500.db2.gz RHUMGWMKBRWDOS-GXTWGEPZSA-N 1 1 355.395 0.705 20 5 FCBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000825293015 669446222 /nfs/dbraw/zinc/44/62/22/669446222.db2.gz MBGYXECAEWALIK-UHFFFAOYSA-N 1 1 352.366 0.509 20 5 FCBDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000808334769 669563042 /nfs/dbraw/zinc/56/30/42/669563042.db2.gz UYAMEGDGHHYBGK-UHFFFAOYSA-N 1 1 362.427 0.896 20 5 FCBDMO CN(CCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CC[NH+](C)C ZINC000808334769 669563048 /nfs/dbraw/zinc/56/30/48/669563048.db2.gz UYAMEGDGHHYBGK-UHFFFAOYSA-N 1 1 362.427 0.896 20 5 FCBDMO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000842165641 670642875 /nfs/dbraw/zinc/64/28/75/670642875.db2.gz CRBISVIGECSNOR-KGLIPLIRSA-N 1 1 351.359 0.382 20 5 FCBDMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000842165641 670642877 /nfs/dbraw/zinc/64/28/77/670642877.db2.gz CRBISVIGECSNOR-KGLIPLIRSA-N 1 1 351.359 0.382 20 5 FCBDMO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)c(C)c1[N+](=O)[O-] ZINC000858627995 671770463 /nfs/dbraw/zinc/77/04/63/671770463.db2.gz DZQRCWZFADQMID-JTQLQIEISA-N 1 1 374.375 0.387 20 5 FCBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861708830 671982401 /nfs/dbraw/zinc/98/24/01/671982401.db2.gz BVYMWGDSJJSOAD-VXGBXAGGSA-N 1 1 353.350 0.780 20 5 FCBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861708829 671982414 /nfs/dbraw/zinc/98/24/14/671982414.db2.gz BVYMWGDSJJSOAD-RYUDHWBXSA-N 1 1 353.350 0.780 20 5 FCBDMO O=C(CCC1CC1)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575097 676024736 /nfs/dbraw/zinc/02/47/36/676024736.db2.gz MEQKJKNHLMMRIV-HUUCEWRRSA-N 1 1 352.435 0.539 20 5 FCBDMO C[NH+]1CCC(C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C3)CC1 ZINC001019155049 675421870 /nfs/dbraw/zinc/42/18/70/675421870.db2.gz DMFOTYLPHMSSRF-ZIAGYGMSSA-N 1 1 350.419 0.054 20 5 FCBDMO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCS(C)(=O)=O ZINC000117338784 675425022 /nfs/dbraw/zinc/42/50/22/675425022.db2.gz XZDDEMSZZVTLOA-UHFFFAOYSA-N 1 1 357.388 0.869 20 5 FCBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCS(C)(=O)=O ZINC000117338784 675425030 /nfs/dbraw/zinc/42/50/30/675425030.db2.gz XZDDEMSZZVTLOA-UHFFFAOYSA-N 1 1 357.388 0.869 20 5 FCBDMO Cc1ccccc1CN(C)C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001691315119 1171076489 /nfs/dbraw/zinc/07/64/89/1171076489.db2.gz UQWSRYNDZDBPBN-HZPDHXFCSA-N 1 1 362.430 0.667 20 5 FCBDMO NC(=O)C[NH+]1CCC(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000247777429 1171371371 /nfs/dbraw/zinc/37/13/71/1171371371.db2.gz YEDPXSDGFTWBCE-UHFFFAOYSA-N 1 1 372.385 0.460 20 5 FCBDMO O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccc2c[nH+]cn2c1 ZINC000978797029 1186009263 /nfs/dbraw/zinc/00/92/63/1186009263.db2.gz WZACIEOHUFZZPL-DZGBDDFRSA-N 1 1 357.370 0.624 20 5 FCBDMO Cc1c(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)ccc2c[nH+]cn21 ZINC000980005165 1186161531 /nfs/dbraw/zinc/16/15/31/1186161531.db2.gz OLBYCYLODYYUCE-CZPYZCIJSA-N 1 1 371.397 0.933 20 5 FCBDMO COc1cncc(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001029964268 1191036617 /nfs/dbraw/zinc/03/66/17/1191036617.db2.gz CIJFLCSBUYWWSY-HUUCEWRRSA-N 1 1 363.418 0.821 20 5 FCBDMO COc1cncc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001029964268 1191036619 /nfs/dbraw/zinc/03/66/19/1191036619.db2.gz CIJFLCSBUYWWSY-HUUCEWRRSA-N 1 1 363.418 0.821 20 5 FCBDMO COc1cncc(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001029964268 1191036623 /nfs/dbraw/zinc/03/66/23/1191036623.db2.gz CIJFLCSBUYWWSY-HUUCEWRRSA-N 1 1 363.418 0.821 20 5 FCBDMO CC[N@H+]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000552987489 1193963822 /nfs/dbraw/zinc/96/38/22/1193963822.db2.gz PXBBSLMNNVVBOZ-LBPRGKRZSA-N 1 1 362.386 0.873 20 5 FCBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1OC ZINC000593853893 1196826666 /nfs/dbraw/zinc/82/66/66/1196826666.db2.gz HMMVPBWRZNIBKZ-GFCCVEGCSA-N 1 1 365.386 0.893 20 5 FCBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1OC ZINC000593853893 1196826667 /nfs/dbraw/zinc/82/66/67/1196826667.db2.gz HMMVPBWRZNIBKZ-GFCCVEGCSA-N 1 1 365.386 0.893 20 5 FCBDMO CCOC(=O)c1cc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc([N+](=O)[O-])c1 ZINC000593854407 1196826959 /nfs/dbraw/zinc/82/69/59/1196826959.db2.gz JQKOHQZTODQPLQ-OAHLLOKOSA-N 1 1 363.370 0.663 20 5 FCBDMO CCOC(=O)c1cc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc([N+](=O)[O-])c1 ZINC000593854407 1196826961 /nfs/dbraw/zinc/82/69/61/1196826961.db2.gz JQKOHQZTODQPLQ-OAHLLOKOSA-N 1 1 363.370 0.663 20 5 FCBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000915287543 1198008253 /nfs/dbraw/zinc/00/82/53/1198008253.db2.gz MBVRBSMDXOKBJO-UHFFFAOYSA-N 1 1 374.401 0.177 20 5 FCBDMO CC(C)(C)n1nnc(CC[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001086084312 1198142535 /nfs/dbraw/zinc/14/25/35/1198142535.db2.gz LSNSIMHRGYNGKA-YVECIDJPSA-N 1 1 365.438 0.120 20 5 FCBDMO 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QYYSKJIULPDRBJ-IUODEOHRSA-N 1 1 357.370 0.922 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](Cc1ccc3nonc3c1)C2 ZINC001072725752 1219620818 /nfs/dbraw/zinc/62/08/18/1219620818.db2.gz QYYSKJIULPDRBJ-IUODEOHRSA-N 1 1 357.370 0.922 20 5 FCBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001117124684 1221474215 /nfs/dbraw/zinc/47/42/15/1221474215.db2.gz ZKTHOGWUSJPZEL-CQSZACIVSA-N 1 1 360.414 0.949 20 5 FCBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001117151250 1221482429 /nfs/dbraw/zinc/48/24/29/1221482429.db2.gz LCQSOINVANXEIO-HZPDHXFCSA-N 1 1 374.397 0.416 20 5 FCBDMO C[C@H](NC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[C@@H]1C[N@H+](C)CCO1 ZINC001117594782 1221581961 /nfs/dbraw/zinc/58/19/61/1221581961.db2.gz MVVDWIUZDGUKEC-NHYWBVRUSA-N 1 1 362.386 0.272 20 5 FCBDMO C[C@H](NC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001117594782 1221581968 /nfs/dbraw/zinc/58/19/68/1221581968.db2.gz MVVDWIUZDGUKEC-NHYWBVRUSA-N 1 1 362.386 0.272 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC001118083955 1221707525 /nfs/dbraw/zinc/70/75/25/1221707525.db2.gz HKGDNPHELVIXOP-CQSZACIVSA-N 1 1 364.402 0.772 20 5 FCBDMO C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC001121021803 1222139882 /nfs/dbraw/zinc/13/98/82/1222139882.db2.gz RZQOFDLSOUHIGV-SNVBAGLBSA-N 1 1 364.358 0.515 20 5 FCBDMO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000839483843 1222741404 /nfs/dbraw/zinc/74/14/04/1222741404.db2.gz GOZDHXOJGFXWDL-UONOGXRCSA-N 1 1 362.386 0.821 20 5 FCBDMO COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000840392172 1222787458 /nfs/dbraw/zinc/78/74/58/1222787458.db2.gz UTYQTUMJHXZWMT-IIDMSEBBSA-N 1 1 361.398 0.976 20 5 FCBDMO [NH3+]C1(c2nc(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)no2)CC1 ZINC000843215915 1222861146 /nfs/dbraw/zinc/86/11/46/1222861146.db2.gz JXWDEWMIUVVIFS-UHFFFAOYSA-N 1 1 372.385 0.817 20 5 FCBDMO CC[NH2+]Cc1nc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000843215391 1222861249 /nfs/dbraw/zinc/86/12/49/1222861249.db2.gz FNWFXSZJKLKMAW-UHFFFAOYSA-N 1 1 374.401 0.979 20 5 FCBDMO C[NH2+]Cc1nc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000843217684 1222861773 /nfs/dbraw/zinc/86/17/73/1222861773.db2.gz YBOLXANMAJODLB-UHFFFAOYSA-N 1 1 360.374 0.589 20 5 FCBDMO COCCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](CCn2cccn2)CC1 ZINC001151121223 1222916549 /nfs/dbraw/zinc/91/65/49/1222916549.db2.gz IBWOENDNZBEDGX-HUUCEWRRSA-N 1 1 365.434 0.536 20 5 FCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC([C@H]([NH3+])C(=O)OC(C)(C)C)C2)n1 ZINC001163122439 1223226452 /nfs/dbraw/zinc/22/64/52/1223226452.db2.gz KQJJWRADUAONMO-LBPRGKRZSA-N 1 1 366.374 0.882 20 5 FCBDMO Cc1nnc(C[NH2+]CC2(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1C1CC1 ZINC001164490425 1223239433 /nfs/dbraw/zinc/23/94/33/1223239433.db2.gz JBOOERZLVFRFEG-ZIAGYGMSSA-N 1 1 362.434 0.963 20 5 FCBDMO CCCn1c(C)nnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000997768978 1251697392 /nfs/dbraw/zinc/69/73/92/1251697392.db2.gz LSKPHWXONOJYDK-HUUCEWRRSA-N 1 1 364.450 0.990 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2noc3c2COCC3)CC1 ZINC000997772694 1251699732 /nfs/dbraw/zinc/69/97/32/1251699732.db2.gz QOSRBGFNZNFNNM-IUODEOHRSA-N 1 1 364.402 0.741 20 5 FCBDMO CC[N@@H+](C)C(C)(C)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001061005784 1254148405 /nfs/dbraw/zinc/14/84/05/1254148405.db2.gz KKQQSNCCWBDUCL-ZIAGYGMSSA-N 1 1 366.462 0.833 20 5 FCBDMO CC[N@H+](C)C(C)(C)C(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001061005784 1254148413 /nfs/dbraw/zinc/14/84/13/1254148413.db2.gz KKQQSNCCWBDUCL-ZIAGYGMSSA-N 1 1 366.462 0.833 20 5 FCBDMO CC[N@@H+](C)C(C)(C)C(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001061005784 1254148419 /nfs/dbraw/zinc/14/84/19/1254148419.db2.gz KKQQSNCCWBDUCL-ZIAGYGMSSA-N 1 1 366.462 0.833 20 5 FCBDMO 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Cc1nn(C)c(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC001318318090 1263563172 /nfs/dbraw/zinc/56/31/72/1263563172.db2.gz WCBURQHAJPYAAK-GFCCVEGCSA-N 1 1 364.406 0.191 20 5 FCBDMO C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC001333489643 1266611343 /nfs/dbraw/zinc/61/13/43/1266611343.db2.gz NQPWBDMJBDVSNG-WFASDCNBSA-N 1 1 356.448 0.649 20 5 FCBDMO C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001333489643 1266611352 /nfs/dbraw/zinc/61/13/52/1266611352.db2.gz NQPWBDMJBDVSNG-WFASDCNBSA-N 1 1 356.448 0.649 20 5 FCBDMO COc1ccc(CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC001321775058 1264058671 /nfs/dbraw/zinc/05/86/71/1264058671.db2.gz XJFAEWXHQWQVRY-LLVKDONJSA-N 1 1 364.402 0.819 20 5 FCBDMO C[C@@H](CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)[N@H+]1CCC[C@@H](C)C1 ZINC001323906171 1264537992 /nfs/dbraw/zinc/53/79/92/1264537992.db2.gz QQICXHDFGUPGPY-OLZOCXBDSA-N 1 1 366.422 0.144 20 5 FCBDMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC001323942212 1264546127 /nfs/dbraw/zinc/54/61/27/1264546127.db2.gz QKAPSVJNPNGEJD-AWEZNQCLSA-N 1 1 364.402 0.820 20 5 FCBDMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC001325806248 1264998695 /nfs/dbraw/zinc/99/86/95/1264998695.db2.gz UPPSAOUUDISAKE-ZDUSSCGKSA-N 1 1 364.402 0.820 20 5 FCBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001327321882 1265283955 /nfs/dbraw/zinc/28/39/55/1265283955.db2.gz KTZVLPGBDPSYDV-CYBMUJFWSA-N 1 1 366.422 0.144 20 5 FCBDMO COCCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001514611762 1265363177 /nfs/dbraw/zinc/36/31/77/1265363177.db2.gz WZIDBSRTASIVNE-KGLIPLIRSA-N 1 1 368.438 0.563 20 5 FCBDMO C[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC001327742688 1265411419 /nfs/dbraw/zinc/41/14/19/1265411419.db2.gz VZCFHXGGOBLETR-IUODEOHRSA-N 1 1 363.418 0.134 20 5 FCBDMO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001339338144 1268215479 /nfs/dbraw/zinc/21/54/79/1268215479.db2.gz FOYIMVZWZXRQMB-CYBMUJFWSA-N 1 1 351.455 0.852 20 5 FCBDMO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[NH+](CCOCCOC)CC1 ZINC001339340159 1268216399 /nfs/dbraw/zinc/21/63/99/1268216399.db2.gz MUDDYTCRWRSRLR-ZDUSSCGKSA-N 1 1 356.427 0.421 20 5 FCBDMO COCC[NH+]1CCN(c2nnc(-c3cc([N+](=O)[O-])c[nH]c3=O)n2C)CC1 ZINC001343530899 1269938217 /nfs/dbraw/zinc/93/82/17/1269938217.db2.gz NTISMNDLEAJEJE-UHFFFAOYSA-N 1 1 363.378 0.259 20 5 FCBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1)[C@@H]1C[N@@H+](C)CCN1C ZINC001603684170 1287469272 /nfs/dbraw/zinc/46/92/72/1287469272.db2.gz UHSMQWQKXBNHTI-SKDRFNHKSA-N 1 1 361.410 0.403 20 5 FCBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001603684170 1287469276 /nfs/dbraw/zinc/46/92/76/1287469276.db2.gz UHSMQWQKXBNHTI-SKDRFNHKSA-N 1 1 361.410 0.403 20 5 FCBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1)[C@@H]1CN(C)CC[N@H+]1C ZINC001603684170 1287469282 /nfs/dbraw/zinc/46/92/82/1287469282.db2.gz UHSMQWQKXBNHTI-SKDRFNHKSA-N 1 1 361.410 0.403 20 5 FCBDMO C[C@@H](O)C[N@H+]1CCN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC001590002111 1283171914 /nfs/dbraw/zinc/17/19/14/1283171914.db2.gz QHRYZOWZPSNHSE-VXGBXAGGSA-N 1 1 361.406 0.662 20 5 FCBDMO C[N@@H+](CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001591098100 1284168111 /nfs/dbraw/zinc/16/81/11/1284168111.db2.gz FBNGHYILXWHLIA-UHFFFAOYSA-N 1 1 370.373 0.965 20 5 FCBDMO CN(C)CC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC001604687317 1287733214 /nfs/dbraw/zinc/73/32/14/1287733214.db2.gz HFVDWEPAXKYLCE-UHFFFAOYSA-N 1 1 361.410 0.608 20 5 FCBDMO C[C@@H]1C[N@@H+](CCN(C)c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H](C)O1 ZINC001591773439 1284893606 /nfs/dbraw/zinc/89/36/06/1284893606.db2.gz OGKFHFYPOADJSB-PHIMTYICSA-N 1 1 362.394 0.715 20 5 FCBDMO C[C@@H]1C[N@H+](CCN(C)c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H](C)O1 ZINC001591773439 1284893622 /nfs/dbraw/zinc/89/36/22/1284893622.db2.gz OGKFHFYPOADJSB-PHIMTYICSA-N 1 1 362.394 0.715 20 5 FCBDMO Nc1c([N+](=O)[O-])ccc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1-c1nn[nH]n1 ZINC001592757514 1285678820 /nfs/dbraw/zinc/67/88/20/1285678820.db2.gz KSLBOSHKHRRNFU-ZJUUUORDSA-N 1 1 360.378 0.632 20 5 FCBDMO Nc1cc(NC[C@@H]2CCC[N@H+]2CCCO)cc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001592759655 1285682235 /nfs/dbraw/zinc/68/22/35/1285682235.db2.gz FTDWOKAFGTXLMR-NSHDSACASA-N 1 1 362.394 0.616 20 5 FCBDMO O=[N+]([O-])c1sc(-c2nn[nH]n2)cc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001593487745 1286176032 /nfs/dbraw/zinc/17/60/32/1286176032.db2.gz KNQDZCQDQAVNPI-SNVBAGLBSA-N 1 1 365.419 0.872 20 5 FCBDMO Cn1cc[nH+]c1N1CCN(c2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001609480992 1289174165 /nfs/dbraw/zinc/17/41/65/1289174165.db2.gz OAJOVZPWYDTOJA-UHFFFAOYSA-N 1 1 355.362 0.835 20 5 FCBDMO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001607077082 1288650993 /nfs/dbraw/zinc/65/09/93/1288650993.db2.gz KEFBISFYBGUVRN-VXGBXAGGSA-N 1 1 360.378 0.205 20 5 FCBDMO CC[NH+]1CCN(C(=O)CNc2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 ZINC001609228302 1289000868 /nfs/dbraw/zinc/00/08/68/1289000868.db2.gz LCYPKHZSJBVROG-UHFFFAOYSA-N 1 1 360.378 0.351 20 5 FCBDMO O=C(C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1)N1CCCC1 ZINC001698713674 1289532798 /nfs/dbraw/zinc/53/27/98/1289532798.db2.gz IABDBGFKMDCTQL-HZPDHXFCSA-N 1 1 360.414 0.680 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N(CCO)CC[NH2+]Cc1cccc2c1CCOC2 ZINC001754882467 1290633870 /nfs/dbraw/zinc/63/38/70/1290633870.db2.gz DRJZXCDBGPPLQU-IAGOWNOFSA-N 1 1 363.414 0.335 20 5 FCBDMO CN(CC(F)(F)F)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001754980705 1290639021 /nfs/dbraw/zinc/63/90/21/1290639021.db2.gz NYSGITACWAHWDZ-NXEZZACHSA-N 1 1 366.340 0.301 20 5 FCBDMO C[NH+](C)C1(C(=O)NCC2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CCC1 ZINC001689763064 1294837802 /nfs/dbraw/zinc/83/78/02/1294837802.db2.gz FTHHCADJOAMEII-ZIAGYGMSSA-N 1 1 366.462 0.881 20 5 FCBDMO CCOC(=O)c1nc(Cl)nc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001164669080 719372808 /nfs/dbraw/zinc/37/28/08/719372808.db2.gz PPTJXRIBFFHSFE-RKDXNWHRSA-N 1 1 371.781 0.734 20 5 FCBDMO COC(=O)c1nc(Cl)nc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001164667555 719379244 /nfs/dbraw/zinc/37/92/44/719379244.db2.gz KDKGRCGBIPGWAR-HTQZYQBOSA-N 1 1 357.754 0.344 20 5 FCBDMO COc1nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164741686 720603579 /nfs/dbraw/zinc/60/35/79/720603579.db2.gz LXZOPHVMGVIRFO-NEPJUHHUSA-N 1 1 373.373 0.525 20 5 FCBDMO COc1nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164741690 720604567 /nfs/dbraw/zinc/60/45/67/720604567.db2.gz LXZOPHVMGVIRFO-NWDGAFQWSA-N 1 1 373.373 0.525 20 5 FCBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740392 720726592 /nfs/dbraw/zinc/72/65/92/720726592.db2.gz KNGORUSZKDRTSD-UONOGXRCSA-N 1 1 372.385 0.669 20 5 FCBDMO COCC[N@H+]1CCO[C@@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])CC[C@H]2C1 ZINC001164851874 720833586 /nfs/dbraw/zinc/83/35/86/720833586.db2.gz ILRBVSMRZITMCC-DZGCQCFKSA-N 1 1 352.391 0.402 20 5 FCBDMO COCC[N@H+]1CCO[C@@H]2CN(c3ncnc(OC)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164860950 720854958 /nfs/dbraw/zinc/85/49/58/720854958.db2.gz XMKAGTAGHSYPNX-QWHCGFSZSA-N 1 1 367.406 0.567 20 5 FCBDMO CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCC[NH+]1CCCC1 ZINC001067391789 837457434 /nfs/dbraw/zinc/45/74/34/837457434.db2.gz DDHDXYAXOJIOMY-HUUCEWRRSA-N 1 1 354.451 0.835 20 5 FCBDMO O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060730318 836670270 /nfs/dbraw/zinc/67/02/70/836670270.db2.gz HPNAARONLKRZNF-KBUPBQIOSA-N 1 1 352.435 0.539 20 5 FCBDMO CC[NH+](CC)CC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060730341 836670680 /nfs/dbraw/zinc/67/06/80/836670680.db2.gz IFZORPSUONEMAZ-KBUPBQIOSA-N 1 1 354.451 0.785 20 5 FCBDMO CC1(C)CC[N@@H+](CC(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)C1 ZINC001062993722 836747162 /nfs/dbraw/zinc/74/71/62/836747162.db2.gz ZDUCGCQOVOVKHW-CHWSQXEVSA-N 1 1 352.435 0.539 20 5 FCBDMO CC1(C)CC[N@H+](CC(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)C1 ZINC001062993722 836747170 /nfs/dbraw/zinc/74/71/70/836747170.db2.gz ZDUCGCQOVOVKHW-CHWSQXEVSA-N 1 1 352.435 0.539 20 5 FCBDMO CC1(C)CC[N@@H+](CC(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)C1 ZINC001062993722 836747179 /nfs/dbraw/zinc/74/71/79/836747179.db2.gz ZDUCGCQOVOVKHW-CHWSQXEVSA-N 1 1 352.435 0.539 20 5 FCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@@H+](CCO)CC2CCOCC2)CC1 ZINC001098365621 843911573 /nfs/dbraw/zinc/91/15/73/843911573.db2.gz OQKNMMQPSCKYFR-HZPDHXFCSA-N 1 1 355.435 0.364 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@H+](CCO)CC2CCOCC2)CC1 ZINC001098365621 843911577 /nfs/dbraw/zinc/91/15/77/843911577.db2.gz OQKNMMQPSCKYFR-HZPDHXFCSA-N 1 1 355.435 0.364 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@@H+](CCO)CC2CCOCC2)CC1 ZINC001098365621 843911581 /nfs/dbraw/zinc/91/15/81/843911581.db2.gz OQKNMMQPSCKYFR-HZPDHXFCSA-N 1 1 355.435 0.364 20 5 FCBDMO O=C(C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1)N1CCCC1 ZINC001115530738 846561493 /nfs/dbraw/zinc/56/14/93/846561493.db2.gz OKOXHGTWNRBHDL-ZIAGYGMSSA-N 1 1 352.435 0.683 20 5 FCBDMO CC(C)S(=O)(=O)c1ccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001126936683 848713189 /nfs/dbraw/zinc/71/31/89/848713189.db2.gz QKNWDTIVCXAPED-HUUCEWRRSA-N 1 1 369.443 0.740 20 5 FCBDMO Cc1ccc(S(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001126936933 848713648 /nfs/dbraw/zinc/71/36/48/848713648.db2.gz XNXIKCQNHLZJHU-HUUCEWRRSA-N 1 1 369.443 0.530 20 5 FCBDMO CC(C)(C)c1ccc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)cc1[N+](=O)[O-] ZINC001151816644 849695359 /nfs/dbraw/zinc/69/53/59/849695359.db2.gz CWMBRZMIKHFDGW-QGZVFWFLSA-N 1 1 351.403 0.973 20 5 FCBDMO Cn1ncc(Br)c1C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157766985 849991608 /nfs/dbraw/zinc/99/16/08/849991608.db2.gz CVWPGJJILZDPDO-PSASIEDQSA-N 1 1 360.212 0.444 20 5 FCBDMO Cc1ccsc1CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157767475 849991776 /nfs/dbraw/zinc/99/17/76/849991776.db2.gz NZSHIXCIJJLEBT-VXGBXAGGSA-N 1 1 354.432 0.434 20 5 FCBDMO Cc1nn(C)c(C(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)c1[N+](=O)[O-] ZINC001161578437 850273409 /nfs/dbraw/zinc/27/34/09/850273409.db2.gz GRJWYSDPYIKQBN-NEPJUHHUSA-N 1 1 351.407 0.866 20 5 FCBDMO CC(C)(C)CNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164494542 850414104 /nfs/dbraw/zinc/41/41/04/850414104.db2.gz LMPVEDSAQALCEK-CHWSQXEVSA-N 1 1 354.451 0.690 20 5 FCBDMO CCOC(=O)c1ccnc(N2CCC([NH3+])(C(=O)OC)CC2)c1[N+](=O)[O-] ZINC001166800378 850505492 /nfs/dbraw/zinc/50/54/92/850505492.db2.gz AYVDBAWABITPBL-UHFFFAOYSA-N 1 1 352.347 0.637 20 5 FCBDMO CCN(C(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001205230525 853600931 /nfs/dbraw/zinc/60/09/31/853600931.db2.gz PZUCOXIENHPODV-HUUCEWRRSA-N 1 1 352.435 0.491 20 5 FCBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001303273792 866405962 /nfs/dbraw/zinc/40/59/62/866405962.db2.gz OFEPAFYCEHJCQD-NEPJUHHUSA-N 1 1 368.415 0.551 20 5 FCBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001303273798 866406199 /nfs/dbraw/zinc/40/61/99/866406199.db2.gz OFEPAFYCEHJCQD-VXGBXAGGSA-N 1 1 368.415 0.551 20 5 FCBDMO CNS(=O)(=O)c1ccc(N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC001307214511 866649270 /nfs/dbraw/zinc/64/92/70/866649270.db2.gz IDJHGCSDMKWQBQ-IAQYHMDHSA-N 1 1 371.463 0.549 20 5 FCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001307734370 866671039 /nfs/dbraw/zinc/67/10/39/866671039.db2.gz OFLIVGIJQIOEHO-ZDUSSCGKSA-N 1 1 357.436 0.600 20 5 FCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001307734370 866671049 /nfs/dbraw/zinc/67/10/49/866671049.db2.gz OFLIVGIJQIOEHO-ZDUSSCGKSA-N 1 1 357.436 0.600 20 5 FCBDMO C[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CCn1ccnc1 ZINC001307872173 866681489 /nfs/dbraw/zinc/68/14/89/866681489.db2.gz NRXZKANPDWRWNB-UHFFFAOYSA-N 1 1 353.404 0.702 20 5 FCBDMO C[N@@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CCn1ccnc1 ZINC001307872173 866681494 /nfs/dbraw/zinc/68/14/94/866681494.db2.gz NRXZKANPDWRWNB-UHFFFAOYSA-N 1 1 353.404 0.702 20 5 FCBDMO O=C(NC[C@H]1C[C@@H]([NH2+]CCCNC(=O)C(F)(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001316615983 867365945 /nfs/dbraw/zinc/36/59/45/867365945.db2.gz NBMCUQXLHODPGM-LMLFDSFASA-N 1 1 366.340 0.205 20 5 FCBDMO COc1ccc(CC(=O)NCC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001347710765 872469804 /nfs/dbraw/zinc/46/98/04/872469804.db2.gz AANDVJKNXILNON-UHFFFAOYSA-N 1 1 350.375 0.036 20 5 FCBDMO CS(=O)(=O)C[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000292092376 214076594 /nfs/dbraw/zinc/07/65/94/214076594.db2.gz DJRCEPFXOBSUEP-GXTWGEPZSA-N 1 1 358.416 0.701 20 5 FCBDMO CS(=O)(=O)C[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000292092376 214076596 /nfs/dbraw/zinc/07/65/96/214076596.db2.gz DJRCEPFXOBSUEP-GXTWGEPZSA-N 1 1 358.416 0.701 20 5 FCBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292196117 214083917 /nfs/dbraw/zinc/08/39/17/214083917.db2.gz NNWXREHZXHFAGK-OLZOCXBDSA-N 1 1 373.431 0.300 20 5 FCBDMO C[N@@H+](C[C@H](O)CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000293322442 214164781 /nfs/dbraw/zinc/16/47/81/214164781.db2.gz XOLUKMZEYRVTCC-HNNXBMFYSA-N 1 1 362.430 0.808 20 5 FCBDMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000188076695 529958444 /nfs/dbraw/zinc/95/84/44/529958444.db2.gz CQQUHTXNMSYQNE-SFHVURJKSA-N 1 1 373.413 0.887 20 5 FCBDMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000188076288 529973663 /nfs/dbraw/zinc/97/36/63/529973663.db2.gz NVCZJJPUPZWHDM-GOSISDBHSA-N 1 1 373.413 0.887 20 5 FCBDMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000265435948 210135945 /nfs/dbraw/zinc/13/59/45/210135945.db2.gz GWIHXQFWTJRKEV-CQSZACIVSA-N 1 1 373.417 0.513 20 5 FCBDMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000265375649 210111102 /nfs/dbraw/zinc/11/11/02/210111102.db2.gz BLWLWCXIALFDRH-GFCCVEGCSA-N 1 1 358.406 0.985 20 5 FCBDMO Cc1n[nH]c(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC000332167567 215105016 /nfs/dbraw/zinc/10/50/16/215105016.db2.gz RYWFYSSTLTXMBE-UHFFFAOYSA-N 1 1 350.423 0.915 20 5 FCBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000332222240 215112295 /nfs/dbraw/zinc/11/22/95/215112295.db2.gz YEEXYWNEPYWNLT-CQSZACIVSA-N 1 1 374.397 0.989 20 5 FCBDMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2)CC1 ZINC000285208646 213303814 /nfs/dbraw/zinc/30/38/14/213303814.db2.gz PGTCLAORFRRYHL-UHFFFAOYSA-N 1 1 372.385 0.636 20 5 FCBDMO COc1c(F)cc(S(=O)(=O)N2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000192922993 209307369 /nfs/dbraw/zinc/30/73/69/209307369.db2.gz XBDDQKSPPYDXLH-AOOOYVTPSA-N 1 1 359.379 0.925 20 5 FCBDMO O=Cc1ccc(OCC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000369150138 216355110 /nfs/dbraw/zinc/35/51/10/216355110.db2.gz HMPCGBJSZYQRTK-UONOGXRCSA-N 1 1 363.370 0.766 20 5 FCBDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000369284447 216378929 /nfs/dbraw/zinc/37/89/29/216378929.db2.gz RFBOQVLNWQTLPD-VNQPRFMTSA-N 1 1 364.406 0.474 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000277645838 212383518 /nfs/dbraw/zinc/38/35/18/212383518.db2.gz UJELUYNTNATVGB-UHFFFAOYSA-N 1 1 350.375 0.497 20 5 FCBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000185876918 209184101 /nfs/dbraw/zinc/18/41/01/209184101.db2.gz NQXNBJSIIOVKBH-ZDUSSCGKSA-N 1 1 353.427 0.117 20 5 FCBDMO C[C@H](CO)[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C[C@H](C)O ZINC000276176626 212179186 /nfs/dbraw/zinc/17/91/86/212179186.db2.gz JNSYUKIQBYPWPB-ZJUUUORDSA-N 1 1 355.347 0.326 20 5 FCBDMO C[C@H](CO)[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C[C@H](C)O ZINC000276176626 212179192 /nfs/dbraw/zinc/17/91/92/212179192.db2.gz JNSYUKIQBYPWPB-ZJUUUORDSA-N 1 1 355.347 0.326 20 5 FCBDMO O=C(NCC[N@H+]1CCCOCC1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000275812543 212095874 /nfs/dbraw/zinc/09/58/74/212095874.db2.gz IYJJRQOFUFIHOB-INIZCTEOSA-N 1 1 362.386 0.926 20 5 FCBDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273415276 211710676 /nfs/dbraw/zinc/71/06/76/211710676.db2.gz YDAGKMRRKNFLNO-CHWSQXEVSA-N 1 1 373.431 0.335 20 5 FCBDMO COC(=O)c1cnc([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000424729508 247272187 /nfs/dbraw/zinc/27/21/87/247272187.db2.gz MBFDORIKTUWKHD-WPRPVWTQSA-N 1 1 355.376 0.746 20 5 FCBDMO C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H](C)[NH2+]1 ZINC000440452308 248185942 /nfs/dbraw/zinc/18/59/42/248185942.db2.gz YJILNAPMBKBVII-NXEZZACHSA-N 1 1 357.388 0.737 20 5 FCBDMO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440507621 248192702 /nfs/dbraw/zinc/19/27/02/248192702.db2.gz UCFIJVHPLOIVSY-WDEREUQCSA-N 1 1 351.363 0.154 20 5 FCBDMO COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440507621 248192704 /nfs/dbraw/zinc/19/27/04/248192704.db2.gz UCFIJVHPLOIVSY-WDEREUQCSA-N 1 1 351.363 0.154 20 5 FCBDMO COC(=O)CNC(=O)c1ccc(N2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000443433511 248326154 /nfs/dbraw/zinc/32/61/54/248326154.db2.gz SKBPYDAFKKWGMN-LLVKDONJSA-N 1 1 350.375 0.638 20 5 FCBDMO COC(=O)CNC(=O)c1ccc(N2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000443433511 248326156 /nfs/dbraw/zinc/32/61/56/248326156.db2.gz SKBPYDAFKKWGMN-LLVKDONJSA-N 1 1 350.375 0.638 20 5 FCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCO)CCOCC(F)(F)F ZINC000270564043 211223320 /nfs/dbraw/zinc/22/33/20/211223320.db2.gz LHXMYLFPMDQEBL-UHFFFAOYSA-N 1 1 353.297 0.630 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270356542 211190771 /nfs/dbraw/zinc/19/07/71/211190771.db2.gz QASSATMUUCSVOY-HNNXBMFYSA-N 1 1 363.418 0.776 20 5 FCBDMO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC[NH+](CCO)CC1 ZINC000472030252 250128508 /nfs/dbraw/zinc/12/85/08/250128508.db2.gz SONGAMSXCWMPQQ-UHFFFAOYSA-N 1 1 350.419 0.541 20 5 FCBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000481808759 250363345 /nfs/dbraw/zinc/36/33/45/250363345.db2.gz DHAIZGIMMZSVBO-KRWDZBQOSA-N 1 1 359.386 0.695 20 5 FCBDMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269681903 211044227 /nfs/dbraw/zinc/04/42/27/211044227.db2.gz YGKZYRHGLROWFZ-SWLSCSKDSA-N 1 1 357.432 0.889 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413313500 532992104 /nfs/dbraw/zinc/99/21/04/532992104.db2.gz HLHSHQHAHVBXLZ-CQSZACIVSA-N 1 1 364.402 0.884 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413894620 533003117 /nfs/dbraw/zinc/00/31/17/533003117.db2.gz PCIPKINYMMMOPJ-SNVBAGLBSA-N 1 1 369.349 0.919 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413894620 533003120 /nfs/dbraw/zinc/00/31/20/533003120.db2.gz PCIPKINYMMMOPJ-SNVBAGLBSA-N 1 1 369.349 0.919 20 5 FCBDMO CN(CC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000080247719 208093369 /nfs/dbraw/zinc/09/33/69/208093369.db2.gz AIAIIRUVZLPVKW-UHFFFAOYSA-N 1 1 363.418 0.311 20 5 FCBDMO Cc1cnc(N2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)s1 ZINC000267412843 210535096 /nfs/dbraw/zinc/53/50/96/210535096.db2.gz IOTUFKDZWWAPQQ-ZDUSSCGKSA-N 1 1 352.420 0.739 20 5 FCBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000112921532 208303793 /nfs/dbraw/zinc/30/37/93/208303793.db2.gz AXGTTXLHXPABJZ-UHFFFAOYSA-N 1 1 365.434 0.241 20 5 FCBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000112921532 208303797 /nfs/dbraw/zinc/30/37/97/208303797.db2.gz AXGTTXLHXPABJZ-UHFFFAOYSA-N 1 1 365.434 0.241 20 5 FCBDMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266531435 210352154 /nfs/dbraw/zinc/35/21/54/210352154.db2.gz MDHFAVPKORASIG-GXTWGEPZSA-N 1 1 369.422 0.999 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](CCO)CCOCC(F)(F)F)c1 ZINC000266510142 210347530 /nfs/dbraw/zinc/34/75/30/210347530.db2.gz DDJVDPXPWYTRHM-NSHDSACASA-N 1 1 356.301 0.025 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](CCO)CCOCC(F)(F)F)c1 ZINC000266510141 210347288 /nfs/dbraw/zinc/34/72/88/210347288.db2.gz DDJVDPXPWYTRHM-LLVKDONJSA-N 1 1 356.301 0.025 20 5 FCBDMO COCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000266145821 210292481 /nfs/dbraw/zinc/29/24/81/210292481.db2.gz IRUWNTJEMPJWKC-UHFFFAOYSA-N 1 1 373.431 0.696 20 5 FCBDMO COCCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000266145821 210292483 /nfs/dbraw/zinc/29/24/83/210292483.db2.gz IRUWNTJEMPJWKC-UHFFFAOYSA-N 1 1 373.431 0.696 20 5 FCBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[NH+](C[C@H](C)O)CC2)c1F ZINC000412251862 533216424 /nfs/dbraw/zinc/21/64/24/533216424.db2.gz BDNNTZAAVPTYNV-NSHDSACASA-N 1 1 355.366 0.810 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@H+](C)C1 ZINC000413895610 533485670 /nfs/dbraw/zinc/48/56/70/533485670.db2.gz FGYACFSPMXKLGF-NSHDSACASA-N 1 1 365.342 0.500 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@@H+](C)C1 ZINC000413895610 533485673 /nfs/dbraw/zinc/48/56/73/533485673.db2.gz FGYACFSPMXKLGF-NSHDSACASA-N 1 1 365.342 0.500 20 5 FCBDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000278422833 488874203 /nfs/dbraw/zinc/87/42/03/488874203.db2.gz ZKNNAQSOCPYWHL-XKQJLSEDSA-N 1 1 354.403 0.974 20 5 FCBDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000278422831 488874315 /nfs/dbraw/zinc/87/43/15/488874315.db2.gz ZKNNAQSOCPYWHL-KBRIMQKVSA-N 1 1 354.403 0.974 20 5 FCBDMO CCc1n[nH]c(C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000278427570 488874998 /nfs/dbraw/zinc/87/49/98/488874998.db2.gz CQMNWCTXEWBDRF-JTQLQIEISA-N 1 1 373.435 0.071 20 5 FCBDMO CCc1[nH]nc(C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000278427570 488875002 /nfs/dbraw/zinc/87/50/02/488875002.db2.gz CQMNWCTXEWBDRF-JTQLQIEISA-N 1 1 373.435 0.071 20 5 FCBDMO CNS(=O)(=O)c1ccc(N2CCN(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000278730314 488892570 /nfs/dbraw/zinc/89/25/70/488892570.db2.gz PWRRYCKOLUOSPU-UHFFFAOYSA-N 1 1 366.403 0.553 20 5 FCBDMO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)N1 ZINC000278997119 488909996 /nfs/dbraw/zinc/90/99/96/488909996.db2.gz CGQHUTSAYKTDFT-MRXNPFEDSA-N 1 1 372.341 0.819 20 5 FCBDMO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)N1 ZINC000278997119 488909999 /nfs/dbraw/zinc/90/99/99/488909999.db2.gz CGQHUTSAYKTDFT-MRXNPFEDSA-N 1 1 372.341 0.819 20 5 FCBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)C[C@H]2C1 ZINC000278970403 488908082 /nfs/dbraw/zinc/90/80/82/488908082.db2.gz CHESDHDGTUNWQS-TXEJJXNPSA-N 1 1 353.400 0.632 20 5 FCBDMO CNS(=O)(=O)c1ccc(NCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000015206664 487576723 /nfs/dbraw/zinc/57/67/23/487576723.db2.gz RULONZGGHYKLRO-UHFFFAOYSA-N 1 1 358.420 0.637 20 5 FCBDMO CCOc1ccc(C(=O)NC2CC[NH+](CC(=O)NC)CC2)cc1[N+](=O)[O-] ZINC000025230706 487661880 /nfs/dbraw/zinc/66/18/80/487661880.db2.gz YGETZHZLIOJRSI-UHFFFAOYSA-N 1 1 364.402 0.934 20 5 FCBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)COC[C@H]3CCCO3)CC2)cn1 ZINC000027231649 487690824 /nfs/dbraw/zinc/69/08/24/487690824.db2.gz OCQLTONFSYZRAZ-HZPDHXFCSA-N 1 1 366.418 0.668 20 5 FCBDMO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 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/nfs/dbraw/zinc/19/23/69/491192369.db2.gz JRVGTRNTKQGBQW-VIFPVBQESA-N 1 1 356.429 0.603 20 5 FCBDMO O=C(NCCC[NH+]1CCOCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067133371 488344305 /nfs/dbraw/zinc/34/43/05/488344305.db2.gz NNHGKYVVWOLWQW-UHFFFAOYSA-N 1 1 360.374 0.628 20 5 FCBDMO O=C(NCCC[NH+]1CCOCC1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069379160 488372162 /nfs/dbraw/zinc/37/21/62/488372162.db2.gz XKUAQXOSEOCEEM-UHFFFAOYSA-N 1 1 352.391 0.995 20 5 FCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000268214810 488397174 /nfs/dbraw/zinc/39/71/74/488397174.db2.gz PIMNVVUTUSFVKE-MFKMUULPSA-N 1 1 372.381 0.790 20 5 FCBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000185279300 488399967 /nfs/dbraw/zinc/39/99/67/488399967.db2.gz WPJUBSLQAAYWPS-LBPRGKRZSA-N 1 1 350.423 0.575 20 5 FCBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000268377754 488413126 /nfs/dbraw/zinc/41/31/26/488413126.db2.gz MCRKCIHLMCHCKZ-UHFFFAOYSA-N 1 1 370.431 0.550 20 5 FCBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000268393210 488414248 /nfs/dbraw/zinc/41/42/48/488414248.db2.gz RKWJEFBBLDPSRN-UHFFFAOYSA-N 1 1 370.431 0.889 20 5 FCBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000268847637 488453257 /nfs/dbraw/zinc/45/32/57/488453257.db2.gz PZNSNZURRPGYSG-CYBMUJFWSA-N 1 1 360.374 0.874 20 5 FCBDMO CN1CC[NH+](CCCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000272189736 488567300 /nfs/dbraw/zinc/56/73/00/488567300.db2.gz JZJWURKNMFCKIP-UHFFFAOYSA-N 1 1 350.375 0.691 20 5 FCBDMO C[NH+]1CCN(C(=O)CCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272327491 488573416 /nfs/dbraw/zinc/57/34/16/488573416.db2.gz KYTMPNAGEMWUFO-UHFFFAOYSA-N 1 1 370.356 0.967 20 5 FCBDMO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1[nH]ncc1[N+](=O)[O-] ZINC000272421785 488579745 /nfs/dbraw/zinc/57/97/45/488579745.db2.gz HMPUOGJVMCRJRI-ZIAGYGMSSA-N 1 1 359.386 0.931 20 5 FCBDMO 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488654161 /nfs/dbraw/zinc/65/41/61/488654161.db2.gz NPZQMMUWRLECOO-UHFFFAOYSA-N 1 1 357.436 0.292 20 5 FCBDMO COCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000264230269 488656723 /nfs/dbraw/zinc/65/67/23/488656723.db2.gz XTMBGADKMOQLMO-UHFFFAOYSA-N 1 1 373.431 0.649 20 5 FCBDMO O=C(NC1CC1)N[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000273629928 488663561 /nfs/dbraw/zinc/66/35/61/488663561.db2.gz BJZKRMRXJSNUND-UKRRQHHQSA-N 1 1 364.402 0.870 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000264426314 488672693 /nfs/dbraw/zinc/67/26/93/488672693.db2.gz JSXFWXAPGUKULQ-UHFFFAOYSA-N 1 1 357.432 0.980 20 5 FCBDMO C[N@@H+](CCO)C1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000264464586 488676801 /nfs/dbraw/zinc/67/68/01/488676801.db2.gz QIUOQPATGNHLNE-UHFFFAOYSA-N 1 1 357.432 0.813 20 5 FCBDMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000142259105 488689876 /nfs/dbraw/zinc/68/98/76/488689876.db2.gz 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Cc1nc(CN2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cs1 ZINC000173478258 488843133 /nfs/dbraw/zinc/84/31/33/488843133.db2.gz XWJRIJAYHWARNH-OAHLLOKOSA-N 1 1 366.447 0.735 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCN(c3nccs3)CC2)c1 ZINC000173571123 488843650 /nfs/dbraw/zinc/84/36/50/488843650.db2.gz SKWBSSDMEHRKFR-ZDUSSCGKSA-N 1 1 352.420 0.821 20 5 FCBDMO CN(C)CC[N@@H+](C)CCCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000288809197 489017853 /nfs/dbraw/zinc/01/78/53/489017853.db2.gz GNAVSZRMNZTJNS-UHFFFAOYSA-N 1 1 359.452 0.538 20 5 FCBDMO CN(CCCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])CC[NH+](C)C ZINC000288809197 489017856 /nfs/dbraw/zinc/01/78/56/489017856.db2.gz GNAVSZRMNZTJNS-UHFFFAOYSA-N 1 1 359.452 0.538 20 5 FCBDMO C[C@@]1(C(N)=O)CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000280755529 489028689 /nfs/dbraw/zinc/02/86/89/489028689.db2.gz NQQVRKMBBKHMNL-OAHLLOKOSA-N 1 1 350.331 0.459 20 5 FCBDMO C[C@@]1(C(N)=O)CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000280755529 489028693 /nfs/dbraw/zinc/02/86/93/489028693.db2.gz NQQVRKMBBKHMNL-OAHLLOKOSA-N 1 1 350.331 0.459 20 5 FCBDMO CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000281308838 489065752 /nfs/dbraw/zinc/06/57/52/489065752.db2.gz XLWXZYNXAAWJSA-INIZCTEOSA-N 1 1 350.375 1.000 20 5 FCBDMO CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000281308838 489065754 /nfs/dbraw/zinc/06/57/54/489065754.db2.gz XLWXZYNXAAWJSA-INIZCTEOSA-N 1 1 350.375 1.000 20 5 FCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000281517155 489082400 /nfs/dbraw/zinc/08/24/00/489082400.db2.gz IDCPYCNRCYWVFF-QWHCGFSZSA-N 1 1 365.386 0.700 20 5 FCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000281517155 489082401 /nfs/dbraw/zinc/08/24/01/489082401.db2.gz IDCPYCNRCYWVFF-QWHCGFSZSA-N 1 1 365.386 0.700 20 5 FCBDMO CC(C)[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000290524190 489146351 /nfs/dbraw/zinc/14/63/51/489146351.db2.gz NGYZFCWNXNEQQF-CYBMUJFWSA-N 1 1 350.423 0.773 20 5 FCBDMO COC(=O)c1cc(C(=O)NCCC[N@@H+](C)CCN(C)C)cc([N+](=O)[O-])c1 ZINC000290594007 489151898 /nfs/dbraw/zinc/15/18/98/489151898.db2.gz IVLDQJROLRYBDJ-UHFFFAOYSA-N 1 1 366.418 0.995 20 5 FCBDMO COC(=O)c1cc(C(=O)NCCCN(C)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000290594007 489151902 /nfs/dbraw/zinc/15/19/02/489151902.db2.gz IVLDQJROLRYBDJ-UHFFFAOYSA-N 1 1 366.418 0.995 20 5 FCBDMO CCN1CC[NH+](C[C@@H](C)CNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290603727 489152608 /nfs/dbraw/zinc/15/26/08/489152608.db2.gz ZGWXXLGNAVTIPY-LBPRGKRZSA-N 1 1 350.423 0.774 20 5 FCBDMO C[N@@H+](C[C@H](O)CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000290760020 489163714 /nfs/dbraw/zinc/16/37/14/489163714.db2.gz JYTVTZUXPZTASC-YOEHRIQHSA-N 1 1 362.386 0.817 20 5 FCBDMO COc1ccc(NC(=O)CN2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000366502660 489189998 /nfs/dbraw/zinc/18/99/98/489189998.db2.gz DLNCAFARMBCRIW-ZDUSSCGKSA-N 1 1 364.402 0.948 20 5 FCBDMO COc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000295314983 489192266 /nfs/dbraw/zinc/19/22/66/489192266.db2.gz PFJHJUOJYUSOSI-GFCCVEGCSA-N 1 1 373.431 0.729 20 5 FCBDMO COc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000295314983 489192267 /nfs/dbraw/zinc/19/22/67/489192267.db2.gz PFJHJUOJYUSOSI-GFCCVEGCSA-N 1 1 373.431 0.729 20 5 FCBDMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000295410511 489192999 /nfs/dbraw/zinc/19/29/99/489192999.db2.gz JHIHVRHORVOQNH-CYBMUJFWSA-N 1 1 374.401 0.752 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CC(n3cc(-c4ccccc4)nn3)C2)c1 ZINC000369988947 489301304 /nfs/dbraw/zinc/30/13/04/489301304.db2.gz XHSZNRMJGDIBRZ-INIZCTEOSA-N 1 1 369.385 0.968 20 5 FCBDMO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000362079219 489374652 /nfs/dbraw/zinc/37/46/52/489374652.db2.gz OZUVXVLWIWHIBE-OAHLLOKOSA-N 1 1 356.386 1.313 20 5 FCBDMO CNS(=O)(=O)[C@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000362130371 489375750 /nfs/dbraw/zinc/37/57/50/489375750.db2.gz MMZYEBWGWVQOIN-LBPRGKRZSA-N 1 1 359.404 0.606 20 5 FCBDMO CNS(=O)(=O)[C@H]1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000362130371 489375751 /nfs/dbraw/zinc/37/57/51/489375751.db2.gz MMZYEBWGWVQOIN-LBPRGKRZSA-N 1 1 359.404 0.606 20 5 FCBDMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000299014578 489395049 /nfs/dbraw/zinc/39/50/49/489395049.db2.gz LBWSDYUITDIJQG-QWHCGFSZSA-N 1 1 372.381 0.934 20 5 FCBDMO CNS(=O)(=O)c1ccc(NCCC[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000299460516 489444281 /nfs/dbraw/zinc/44/42/81/489444281.db2.gz XGNHFJFGVGHYOX-UHFFFAOYSA-N 1 1 371.463 0.552 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000287257657 489473438 /nfs/dbraw/zinc/47/34/38/489473438.db2.gz SCIKTAZVSYCSEO-GFCCVEGCSA-N 1 1 352.391 0.811 20 5 FCBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000371359653 489480384 /nfs/dbraw/zinc/48/03/84/489480384.db2.gz KXGVFVVGOAYYDY-GXTWGEPZSA-N 1 1 364.450 0.978 20 5 FCBDMO O=C(CN1CC[NH+]([C@@H]2CCOC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000371372332 489481905 /nfs/dbraw/zinc/48/19/05/489481905.db2.gz WHHQQWBLGWEMIN-MRXNPFEDSA-N 1 1 360.414 0.890 20 5 FCBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000563712241 491264973 /nfs/dbraw/zinc/26/49/73/491264973.db2.gz CDECSOMHCKGLMM-ZDUSSCGKSA-N 1 1 364.450 1.035 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCN(c3ncccc3F)CC2)c1 ZINC000372610172 489608612 /nfs/dbraw/zinc/60/86/12/489608612.db2.gz LDPIZDKGEQNGBY-AWEZNQCLSA-N 1 1 364.381 0.899 20 5 FCBDMO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H](C)[N@H+]1CCO ZINC000456225911 489612657 /nfs/dbraw/zinc/61/26/57/489612657.db2.gz OAQJSKQSGYFDDR-TXEJJXNPSA-N 1 1 365.386 0.893 20 5 FCBDMO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H](C)[N@@H+]1CCO ZINC000456225911 489612660 /nfs/dbraw/zinc/61/26/60/489612660.db2.gz OAQJSKQSGYFDDR-TXEJJXNPSA-N 1 1 365.386 0.893 20 5 FCBDMO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000372824202 489640918 /nfs/dbraw/zinc/64/09/18/489640918.db2.gz QVWPUOONVUALPY-LSDHHAIUSA-N 1 1 369.443 0.920 20 5 FCBDMO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000570918059 491273416 /nfs/dbraw/zinc/27/34/16/491273416.db2.gz ACVSFGWNMDCENB-GFCCVEGCSA-N 1 1 370.431 0.283 20 5 FCBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000470447988 489726068 /nfs/dbraw/zinc/72/60/68/489726068.db2.gz IWCUJBAPLSYUEU-BETUJISGSA-N 1 1 372.381 0.882 20 5 FCBDMO [NH3+]CC(F)(F)CNC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000418808387 489732477 /nfs/dbraw/zinc/73/24/77/489732477.db2.gz LKDFCDNBXUAQDZ-UHFFFAOYSA-N 1 1 364.736 0.617 20 5 FCBDMO COC(=O)COc1ccc(C[NH2+][C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000474346347 489755828 /nfs/dbraw/zinc/75/58/28/489755828.db2.gz PRNQFGJZHULFGR-NSHDSACASA-N 1 1 358.372 0.423 20 5 FCBDMO CN(CC[N@@H+](C)C1CC1)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000474570545 489769885 /nfs/dbraw/zinc/76/98/85/489769885.db2.gz PWVOYEBFICVJCY-UHFFFAOYSA-N 1 1 362.386 0.873 20 5 FCBDMO Cc1ccc(S(=O)(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)c([N+](=O)[O-])c1 ZINC000490510649 489771481 /nfs/dbraw/zinc/77/14/81/489771481.db2.gz VXIHQDWILDZMGB-CHWSQXEVSA-N 1 1 357.432 0.979 20 5 FCBDMO O=C(NCCCCN1CC[NH+](CCO)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000432543752 489847176 /nfs/dbraw/zinc/84/71/76/489847176.db2.gz ACDNCZZILFJDID-UHFFFAOYSA-N 1 1 368.409 0.854 20 5 FCBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000476371569 489883047 /nfs/dbraw/zinc/88/30/47/489883047.db2.gz COBBUBPZPDLMLB-ZDUSSCGKSA-N 1 1 350.423 0.570 20 5 FCBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494754468 489911445 /nfs/dbraw/zinc/91/14/45/489911445.db2.gz YIMGCXXURQKCED-CQSZACIVSA-N 1 1 370.431 0.937 20 5 FCBDMO C[NH+]1CCN(C(=O)CCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000477248975 489952981 /nfs/dbraw/zinc/95/29/81/489952981.db2.gz CNJGKWWHCRIISZ-UHFFFAOYSA-N 1 1 352.366 0.557 20 5 FCBDMO CC[NH+]1CCN(C(=O)CNc2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000478263705 490012976 /nfs/dbraw/zinc/01/29/76/490012976.db2.gz SPPALIYWDFVECA-UHFFFAOYSA-N 1 1 351.363 0.352 20 5 FCBDMO Cc1c(CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000480052747 490155515 /nfs/dbraw/zinc/15/55/15/490155515.db2.gz AEEAOLZAKDRUSS-QGZVFWFLSA-N 1 1 366.418 0.786 20 5 FCBDMO Cc1[nH]nc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000497462881 490164002 /nfs/dbraw/zinc/16/40/02/490164002.db2.gz PZKAEACAAWGGKL-WCQYABFASA-N 1 1 350.423 0.724 20 5 FCBDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000546084541 490185149 /nfs/dbraw/zinc/18/51/49/490185149.db2.gz YIKQLSWZISSDRO-UHFFFAOYSA-N 1 1 364.406 0.292 20 5 FCBDMO CCn1cc(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c([N+](=O)[O-])n1 ZINC000407990985 490195871 /nfs/dbraw/zinc/19/58/71/490195871.db2.gz RKJBOCKGOXQBKO-NEPJUHHUSA-N 1 1 357.436 0.916 20 5 FCBDMO COc1ccc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000467491865 490300353 /nfs/dbraw/zinc/30/03/53/490300353.db2.gz VCSNZZBAESMCIX-INIZCTEOSA-N 1 1 353.375 0.416 20 5 FCBDMO C[C@@](O)(CNC(=O)CSc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000467502505 490304571 /nfs/dbraw/zinc/30/45/71/490304571.db2.gz LIYDUHMLGGPNIA-MRXNPFEDSA-N 1 1 369.443 0.886 20 5 FCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000534665241 490394324 /nfs/dbraw/zinc/39/43/24/490394324.db2.gz TYGKZJHRAAPSPM-UHFFFAOYSA-N 1 1 353.423 0.053 20 5 FCBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000411357482 490438142 /nfs/dbraw/zinc/43/81/42/490438142.db2.gz ROLFYAHTCHXJAE-MRXNPFEDSA-N 1 1 350.375 0.333 20 5 FCBDMO C[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000564855641 491331132 /nfs/dbraw/zinc/33/11/32/491331132.db2.gz GCMDZFWZCHQZLX-CVEARBPZSA-N 1 1 366.462 0.808 20 5 FCBDMO C[C@H](C[C@H]1COCC[NH2+]1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423034869 490525536 /nfs/dbraw/zinc/52/55/36/490525536.db2.gz IRABTKKMBUPLEJ-OLZOCXBDSA-N 1 1 357.432 0.725 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000524272611 490528639 /nfs/dbraw/zinc/52/86/39/490528639.db2.gz FMBSPIXFKZLHJJ-GFCCVEGCSA-N 1 1 370.431 0.461 20 5 FCBDMO C[C@](O)(CNC(=O)NCCc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000536235849 490563776 /nfs/dbraw/zinc/56/37/76/490563776.db2.gz WKTBCTTWEBPPGO-KRWDZBQOSA-N 1 1 366.418 0.520 20 5 FCBDMO COc1ccc(C(=O)NCC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000536586754 490595486 /nfs/dbraw/zinc/59/54/86/490595486.db2.gz FCALNNFBTXASMV-NEPJUHHUSA-N 1 1 364.402 0.884 20 5 FCBDMO CC(C)[NH+]1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000549759702 490600590 /nfs/dbraw/zinc/60/05/90/490600590.db2.gz RZBFYMWKJNARKQ-UHFFFAOYSA-N 1 1 356.404 0.408 20 5 FCBDMO CCc1nn(C)c(NCCCCN2CC[NH+](CCO)CC2)c1[N+](=O)[O-] ZINC000536707344 490609569 /nfs/dbraw/zinc/60/95/69/490609569.db2.gz IGSAGKXIGKAICP-UHFFFAOYSA-N 1 1 354.455 0.693 20 5 FCBDMO C[C@H]1C[N@H+](C)CC[C@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000536828205 490619160 /nfs/dbraw/zinc/61/91/60/490619160.db2.gz RMQQPVSGFDHEHE-SWLSCSKDSA-N 1 1 356.448 0.803 20 5 FCBDMO C[C@H]1C[N@@H+](C)CC[C@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000536828205 490619168 /nfs/dbraw/zinc/61/91/68/490619168.db2.gz RMQQPVSGFDHEHE-SWLSCSKDSA-N 1 1 356.448 0.803 20 5 FCBDMO C[C@H]1CN(C)CC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000536828205 490619174 /nfs/dbraw/zinc/61/91/74/490619174.db2.gz RMQQPVSGFDHEHE-SWLSCSKDSA-N 1 1 356.448 0.803 20 5 FCBDMO COC(=O)c1cc(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000486869128 490677255 /nfs/dbraw/zinc/67/72/55/490677255.db2.gz PDCFITHLIOLCBM-INIZCTEOSA-N 1 1 366.374 0.878 20 5 FCBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000538917706 490756550 /nfs/dbraw/zinc/75/65/50/490756550.db2.gz GLDOSPLGUUPGTD-CHWSQXEVSA-N 1 1 363.418 0.945 20 5 FCBDMO CCn1c(N)c(C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(=O)[nH]c1=O ZINC000539276678 490775007 /nfs/dbraw/zinc/77/50/07/490775007.db2.gz OWZZQWMTKFMBBV-VIFPVBQESA-N 1 1 361.358 0.993 20 5 FCBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCN(Cc2ncc[nH]2)CC1 ZINC000543202546 490924905 /nfs/dbraw/zinc/92/49/05/490924905.db2.gz GUIMZNDLJFEEDT-CQSZACIVSA-N 1 1 361.402 0.875 20 5 FCBDMO CN(C)c1nc(N2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)cc[nH+]1 ZINC000530904666 490930951 /nfs/dbraw/zinc/93/09/51/490930951.db2.gz KPGYPWVQNPBSDI-UHFFFAOYSA-N 1 1 372.389 0.271 20 5 FCBDMO NS(=O)(=O)c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000596055915 491973757 /nfs/dbraw/zinc/97/37/57/491973757.db2.gz ZOZFNMYQEPYULY-ZDUSSCGKSA-N 1 1 370.431 0.543 20 5 FCBDMO COCCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596290732 491982362 /nfs/dbraw/zinc/98/23/62/491982362.db2.gz DEHWWLCBQFZJOT-UHFFFAOYSA-N 1 1 352.391 0.479 20 5 FCBDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)CC1=O ZINC000569516600 491165394 /nfs/dbraw/zinc/16/53/94/491165394.db2.gz RISCIERGQYRQEE-LLVKDONJSA-N 1 1 370.431 0.565 20 5 FCBDMO COC[C@H](C)OC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000562489987 491169663 /nfs/dbraw/zinc/16/96/63/491169663.db2.gz QWIBOAJDZYVDMY-ZFWWWQNUSA-N 1 1 354.407 0.524 20 5 FCBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000573504221 491437438 /nfs/dbraw/zinc/43/74/38/491437438.db2.gz LZRRWJJMZPXIMM-UHFFFAOYSA-N 1 1 350.423 0.670 20 5 FCBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000573504221 491437439 /nfs/dbraw/zinc/43/74/39/491437439.db2.gz LZRRWJJMZPXIMM-UHFFFAOYSA-N 1 1 350.423 0.670 20 5 FCBDMO 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370.413 0.884 20 5 FCBDMO O=C(CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCc2ccccc21 ZINC001025778089 1182824565 /nfs/dbraw/zinc/82/45/65/1182824565.db2.gz RCDJBZROCOYDKH-CNKGYHKASA-N 1 1 370.409 0.287 20 5 FCBDMO Cc1nn(C)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000377636166 1182864723 /nfs/dbraw/zinc/86/47/23/1182864723.db2.gz FBSCVENQXWNRMC-AWEZNQCLSA-N 1 1 364.450 0.877 20 5 FCBDMO Cc1nn(C)c(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000377636166 1182864726 /nfs/dbraw/zinc/86/47/26/1182864726.db2.gz FBSCVENQXWNRMC-AWEZNQCLSA-N 1 1 364.450 0.877 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC(n2cc(C[NH2+]CCC3CCCC3)nn2)C1 ZINC001105235806 1183149412 /nfs/dbraw/zinc/14/94/12/1183149412.db2.gz UCCORWSAQAMRNW-HZPDHXFCSA-N 1 1 362.434 0.997 20 5 FCBDMO CN(CC(=O)NCC[N@@H+]1CCC2(C1)OCCO2)c1ccccc1[N+](=O)[O-] ZINC000899057576 1194100244 /nfs/dbraw/zinc/10/02/44/1194100244.db2.gz GSUDOQAIXHAIHD-UHFFFAOYSA-N 1 1 364.402 0.596 20 5 FCBDMO CN(CC(=O)NCC[N@H+]1CCC2(C1)OCCO2)c1ccccc1[N+](=O)[O-] ZINC000899057576 1194100246 /nfs/dbraw/zinc/10/02/46/1194100246.db2.gz GSUDOQAIXHAIHD-UHFFFAOYSA-N 1 1 364.402 0.596 20 5 FCBDMO COc1ccc2c(C[NH2+]CCNC(=O)[C@@H]3CC3[N+](=O)[O-])cc(=O)oc2c1 ZINC001126936234 1194601476 /nfs/dbraw/zinc/60/14/76/1194601476.db2.gz CBVMVXKZTRRCGL-ZIAGYGMSSA-N 1 1 361.354 0.673 20 5 FCBDMO O=[N+]([O-])c1ccc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c(F)c1N1CCOCC1 ZINC000594587085 1196729890 /nfs/dbraw/zinc/72/98/90/1196729890.db2.gz SKVGNTSAERIOPL-CYBMUJFWSA-N 1 1 366.393 0.826 20 5 FCBDMO O=[N+]([O-])c1ccc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c(F)c1N1CCOCC1 ZINC000594587085 1196729896 /nfs/dbraw/zinc/72/98/96/1196729896.db2.gz SKVGNTSAERIOPL-CYBMUJFWSA-N 1 1 366.393 0.826 20 5 FCBDMO O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593857405 1196827636 /nfs/dbraw/zinc/82/76/36/1196827636.db2.gz ZPZMXJMHTLBOIJ-CQSZACIVSA-N 1 1 357.370 0.672 20 5 FCBDMO O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593857405 1196827637 /nfs/dbraw/zinc/82/76/37/1196827637.db2.gz ZPZMXJMHTLBOIJ-CQSZACIVSA-N 1 1 357.370 0.672 20 5 FCBDMO NC(=O)C[NH+]1CCC(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000915258756 1198000808 /nfs/dbraw/zinc/00/08/08/1198000808.db2.gz DZOCGGVGZASYDO-UHFFFAOYSA-N 1 1 372.385 0.460 20 5 FCBDMO O=C(C[NH2+][C@@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)N1CCCCCCC1 ZINC001086363471 1198328362 /nfs/dbraw/zinc/32/83/62/1198328362.db2.gz VXZMUYXYXBIIJC-KLHDSHLOSA-N 1 1 366.462 0.929 20 5 FCBDMO CNC(=O)CN1CCOC[C@]2(CCC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169018178 1199043339 /nfs/dbraw/zinc/04/33/39/1199043339.db2.gz CAOOPAVDIAYIIX-XYJFISCASA-N 1 1 368.478 0.592 20 5 FCBDMO CC1(C)OCC(CO)([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CO1 ZINC000788000182 1200928330 /nfs/dbraw/zinc/92/83/30/1200928330.db2.gz RKIHQOZVRIDPCH-UHFFFAOYSA-N 1 1 365.386 0.588 20 5 FCBDMO 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CCN1CCN([C@H](C)C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001335351828 1259621501 /nfs/dbraw/zinc/62/15/01/1259621501.db2.gz PSFDLRUTQJBRFW-CVEARBPZSA-N 1 1 366.462 0.950 20 5 FCBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC001257240820 1260004336 /nfs/dbraw/zinc/00/43/36/1260004336.db2.gz DVSZOSQYNMNBQM-JKSUJKDBSA-N 1 1 360.414 0.997 20 5 FCBDMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001336414137 1260119113 /nfs/dbraw/zinc/11/91/13/1260119113.db2.gz XXPCOSHFPQBNMV-SFHVURJKSA-N 1 1 373.457 0.629 20 5 FCBDMO COCCn1c(C[N+](=O)[O-])nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001263260885 1260344246 /nfs/dbraw/zinc/34/42/46/1260344246.db2.gz OJYOZJJHPFXNSO-CYBMUJFWSA-N 1 1 368.438 0.391 20 5 FCBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H](O)CC3(O)CCOCC3)C2)nc1 ZINC001307546415 1263199716 /nfs/dbraw/zinc/19/97/16/1263199716.db2.gz VNPCNZVGWOTKOC-ZFWWWQNUSA-N 1 1 366.418 0.769 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+](CCO)C[C@H]1C ZINC001307836516 1263201207 /nfs/dbraw/zinc/20/12/07/1263201207.db2.gz HAXDQFBFNXSWTR-CYBMUJFWSA-N 1 1 366.418 0.930 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN(CCO)C[C@H]1C ZINC001307836516 1263201223 /nfs/dbraw/zinc/20/12/23/1263201223.db2.gz HAXDQFBFNXSWTR-CYBMUJFWSA-N 1 1 366.418 0.930 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(CCO)C[C@H]1C ZINC001307836516 1263201234 /nfs/dbraw/zinc/20/12/34/1263201234.db2.gz HAXDQFBFNXSWTR-CYBMUJFWSA-N 1 1 366.418 0.930 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001318178482 1263549249 /nfs/dbraw/zinc/54/92/49/1263549249.db2.gz DUBCFXHFYUMDHQ-ZDUSSCGKSA-N 1 1 364.406 0.040 20 5 FCBDMO C[C@@H](CNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC001321512075 1263980785 /nfs/dbraw/zinc/98/07/85/1263980785.db2.gz HQLLGTZFFNSJNF-ZDUSSCGKSA-N 1 1 364.402 0.296 20 5 FCBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001325030975 1264758098 /nfs/dbraw/zinc/75/80/98/1264758098.db2.gz PRNDFZWYMDMZFE-GOSISDBHSA-N 1 1 358.398 0.991 20 5 FCBDMO O=C(NCCC[NH+]1CCOCC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001327259283 1265269836 /nfs/dbraw/zinc/26/98/36/1265269836.db2.gz HJHVCTJGYUVURQ-UHFFFAOYSA-N 1 1 364.402 0.092 20 5 FCBDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC001340387833 1268531318 /nfs/dbraw/zinc/53/13/18/1268531318.db2.gz QZURFESECNKQEP-CYBMUJFWSA-N 1 1 350.375 0.048 20 5 FCBDMO COCC[NH2+]CC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001579045571 1276638833 /nfs/dbraw/zinc/63/88/33/1276638833.db2.gz VCSLDHYAJJONHM-UHFFFAOYSA-N 1 1 351.407 0.521 20 5 FCBDMO O=C(NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001582506623 1281685374 /nfs/dbraw/zinc/68/53/74/1281685374.db2.gz IUHCSDYMFNVMLV-DGCLKSJQSA-N 1 1 363.353 0.267 20 5 FCBDMO O=C(NCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001582513721 1281696515 /nfs/dbraw/zinc/69/65/15/1281696515.db2.gz PAPJTYFKIWPBKE-HUUCEWRRSA-N 1 1 371.401 0.613 20 5 FCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001582803684 1282030339 /nfs/dbraw/zinc/03/03/39/1282030339.db2.gz QNXOCQSZQMIPCX-VXGBXAGGSA-N 1 1 360.378 0.205 20 5 FCBDMO CC(C)(CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1)[NH+]1CCOCC1 ZINC001589293095 1282830894 /nfs/dbraw/zinc/83/08/94/1282830894.db2.gz PVCOSNSVQMTZQI-UHFFFAOYSA-N 1 1 362.394 0.880 20 5 FCBDMO C[C@@H](O)C[NH+]1CCN(c2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001590002341 1283172209 /nfs/dbraw/zinc/17/22/09/1283172209.db2.gz XINZAPRIGZNMCL-SECBINFHSA-N 1 1 351.342 0.417 20 5 FCBDMO CC[N@@H+](C)CCC(=O)NCCNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001590678638 1283729896 /nfs/dbraw/zinc/72/98/96/1283729896.db2.gz HKZGQGVZRYMRRL-UHFFFAOYSA-N 1 1 362.394 0.645 20 5 FCBDMO CN(CC(C)(C)[NH3+])S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001591044929 1284104057 /nfs/dbraw/zinc/10/40/57/1284104057.db2.gz RRLDLSOWNOMHGW-UHFFFAOYSA-N 1 1 355.380 0.133 20 5 FCBDMO C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccc(-c2nn[nH]n2)c1 ZINC001591073763 1284137170 /nfs/dbraw/zinc/13/71/70/1284137170.db2.gz CSLAAPLLYHMJJS-ZIAGYGMSSA-N 1 1 359.390 0.470 20 5 FCBDMO C[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cccc(-c2nn[nH]n2)c1 ZINC001591073763 1284137175 /nfs/dbraw/zinc/13/71/75/1284137175.db2.gz CSLAAPLLYHMJJS-ZIAGYGMSSA-N 1 1 359.390 0.470 20 5 FCBDMO C[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cccc(-c2nn[nH]n2)c1 ZINC001591073763 1284137185 /nfs/dbraw/zinc/13/71/85/1284137185.db2.gz CSLAAPLLYHMJJS-ZIAGYGMSSA-N 1 1 359.390 0.470 20 5 FCBDMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)C1 ZINC001591177247 1284275059 /nfs/dbraw/zinc/27/50/59/1284275059.db2.gz YGAPRGHTVVQSHW-SECBINFHSA-N 1 1 367.391 0.005 20 5 FCBDMO C[N@H+]1CC[C@](O)(CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001591181339 1284279882 /nfs/dbraw/zinc/27/98/82/1284279882.db2.gz ZIAMVOJGFITSDB-INIZCTEOSA-N 1 1 370.373 0.802 20 5 FCBDMO CN1CC[N@@H+](C)C[C@H]1CNc1cc(F)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591192214 1284310087 /nfs/dbraw/zinc/31/00/87/1284310087.db2.gz UEGMKIYWFBVWIE-SECBINFHSA-N 1 1 350.358 0.572 20 5 FCBDMO Cn1cc[nH+]c1N1CCN(Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001592585419 1285508125 /nfs/dbraw/zinc/50/81/25/1285508125.db2.gz JHBXIACHOZWKII-UHFFFAOYSA-N 1 1 369.389 0.831 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C1 ZINC001592721698 1285623872 /nfs/dbraw/zinc/62/38/72/1285623872.db2.gz UNZOOBPAOPLVFB-LLVKDONJSA-N 1 1 374.405 0.774 20 5 FCBDMO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001593392934 1286113334 /nfs/dbraw/zinc/11/33/34/1286113334.db2.gz QEKZINRQXKBWDR-CYBMUJFWSA-N 1 1 357.374 0.972 20 5 FCBDMO O=C1CCCN1[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001593392934 1286113337 /nfs/dbraw/zinc/11/33/37/1286113337.db2.gz QEKZINRQXKBWDR-CYBMUJFWSA-N 1 1 357.374 0.972 20 5 FCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](Oc3ccc(-c4nn[nH]n4)cn3)C2)n1 ZINC001593486764 1286176338 /nfs/dbraw/zinc/17/63/38/1286176338.db2.gz LAPRQQAYEVDTEY-LBPRGKRZSA-N 1 1 371.361 0.520 20 5 FCBDMO [NH3+]CC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC001606436772 1288316277 /nfs/dbraw/zinc/31/62/77/1288316277.db2.gz CLWPPADTITVLLL-UHFFFAOYSA-N 1 1 367.391 0.134 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001606993270 1288583316 /nfs/dbraw/zinc/58/33/16/1288583316.db2.gz OXCYMZKGTVDHMW-HUUCEWRRSA-N 1 1 371.401 0.613 20 5 FCBDMO CCc1nc(C)c(C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)o1 ZINC001699882097 1289569155 /nfs/dbraw/zinc/56/91/55/1289569155.db2.gz CHZSQLAGRWZXGW-CHWSQXEVSA-N 1 1 366.418 0.966 20 5 FCBDMO CN(Cc1ccccc1)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001754513970 1290630640 /nfs/dbraw/zinc/63/06/40/1290630640.db2.gz LOVXTHLEJIMRSH-HUUCEWRRSA-N 1 1 360.414 0.549 20 5 FCBDMO CCN(CC)C(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001754959846 1290638229 /nfs/dbraw/zinc/63/82/29/1290638229.db2.gz NPYJUJYBIDNOML-ZIAGYGMSSA-N 1 1 352.435 0.444 20 5 FCBDMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NC1CCCCCC1 ZINC001690274439 1294863378 /nfs/dbraw/zinc/86/33/78/1294863378.db2.gz QXXGCSINWVTGQR-KBUPBQIOSA-N 1 1 352.435 0.727 20 5 FCBDMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)Nc1ccc(F)cc1 ZINC001690274093 1294863581 /nfs/dbraw/zinc/86/35/81/1294863581.db2.gz FBKMTGMITFHKJV-AAVRWANBSA-N 1 1 350.350 0.666 20 5 FCBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(C)ncc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164851324 720850957 /nfs/dbraw/zinc/85/09/57/720850957.db2.gz GRRYJQDUPBPKSB-HIFRSBDPSA-N 1 1 351.407 0.867 20 5 FCBDMO COc1nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)nc(OC)c1[N+](=O)[O-] ZINC001164925281 721862767 /nfs/dbraw/zinc/86/27/67/721862767.db2.gz NMCPOAYGMRSKQI-NEPJUHHUSA-N 1 1 366.422 0.617 20 5 FCBDMO COc1nc(N2CC[C@@H]3[C@@H]2CC[N@H+]3CCN(C)C)nc(OC)c1[N+](=O)[O-] ZINC001164925281 721862769 /nfs/dbraw/zinc/86/27/69/721862769.db2.gz NMCPOAYGMRSKQI-NEPJUHHUSA-N 1 1 366.422 0.617 20 5 FCBDMO COc1nc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)nc(OC)c1[N+](=O)[O-] ZINC001164968025 722071811 /nfs/dbraw/zinc/07/18/11/722071811.db2.gz YPNGGWWTAHLCBH-TXEJJXNPSA-N 1 1 365.390 0.701 20 5 FCBDMO CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001069387418 837529078 /nfs/dbraw/zinc/52/90/78/837529078.db2.gz NRUJBGMUTVZUQC-ZIAGYGMSSA-N 1 1 352.435 0.635 20 5 FCBDMO C[NH+](C)CCCC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001061005925 836678520 /nfs/dbraw/zinc/67/85/20/836678520.db2.gz MGDUFIBKWAVLEI-ZIAGYGMSSA-N 1 1 352.435 0.444 20 5 FCBDMO CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001061132148 836681371 /nfs/dbraw/zinc/68/13/71/836681371.db2.gz RLFOKQKWKMZIIB-ZIAGYGMSSA-N 1 1 352.435 0.444 20 5 FCBDMO CC[N@H+](C)CCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001061132148 836681377 /nfs/dbraw/zinc/68/13/77/836681377.db2.gz RLFOKQKWKMZIIB-ZIAGYGMSSA-N 1 1 352.435 0.444 20 5 FCBDMO CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001061132148 836681380 /nfs/dbraw/zinc/68/13/80/836681380.db2.gz RLFOKQKWKMZIIB-ZIAGYGMSSA-N 1 1 352.435 0.444 20 5 FCBDMO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001079747016 839584097 /nfs/dbraw/zinc/58/40/97/839584097.db2.gz QPXKPWNUTYBREP-ZIAGYGMSSA-N 1 1 354.451 0.689 20 5 FCBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001079747016 839584104 /nfs/dbraw/zinc/58/41/04/839584104.db2.gz QPXKPWNUTYBREP-ZIAGYGMSSA-N 1 1 354.451 0.689 20 5 FCBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001079747016 839584115 /nfs/dbraw/zinc/58/41/15/839584115.db2.gz QPXKPWNUTYBREP-ZIAGYGMSSA-N 1 1 354.451 0.689 20 5 FCBDMO CCN(CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(=O)CC[NH+](C)C ZINC001081083632 839879496 /nfs/dbraw/zinc/87/94/96/839879496.db2.gz NKIPWBVTSCCYNB-HUUCEWRRSA-N 1 1 354.451 0.690 20 5 FCBDMO CC(C)(C)n1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086363104 842127194 /nfs/dbraw/zinc/12/71/94/842127194.db2.gz BUQNPEORCOIDHL-DDHJBXDOSA-N 1 1 351.411 0.078 20 5 FCBDMO CC1CCN(C(=O)C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001086363094 842127658 /nfs/dbraw/zinc/12/76/58/842127658.db2.gz BHEXQXVAPGNRQH-KBUPBQIOSA-N 1 1 352.435 0.395 20 5 FCBDMO CC(C)(C)CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])nn2)C1 ZINC001094290702 843543357 /nfs/dbraw/zinc/54/33/57/843543357.db2.gz GRNUJBCKCKHHCO-ZIAGYGMSSA-N 1 1 350.423 0.852 20 5 FCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@@H+](CCO)CCC(F)(F)F)CC1 ZINC001098364988 843909861 /nfs/dbraw/zinc/90/98/61/843909861.db2.gz HOZODPFGYOWPAH-VXGBXAGGSA-N 1 1 353.341 0.889 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@H+](CCO)CCC(F)(F)F)CC1 ZINC001098364988 843909862 /nfs/dbraw/zinc/90/98/62/843909862.db2.gz HOZODPFGYOWPAH-VXGBXAGGSA-N 1 1 353.341 0.889 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@@H+](CCO)CCC(F)(F)F)CC1 ZINC001098364988 843909868 /nfs/dbraw/zinc/90/98/68/843909868.db2.gz HOZODPFGYOWPAH-VXGBXAGGSA-N 1 1 353.341 0.889 20 5 FCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@@H+](CCO)CCOCC2CC2)CC1 ZINC001098365979 843911793 /nfs/dbraw/zinc/91/17/93/843911793.db2.gz SXAYNUYFQBYCAO-HZPDHXFCSA-N 1 1 355.435 0.364 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@H+](CCO)CCOCC2CC2)CC1 ZINC001098365979 843911798 /nfs/dbraw/zinc/91/17/98/843911798.db2.gz SXAYNUYFQBYCAO-HZPDHXFCSA-N 1 1 355.435 0.364 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@@H+](CCO)CCOCC2CC2)CC1 ZINC001098365979 843911803 /nfs/dbraw/zinc/91/18/03/843911803.db2.gz SXAYNUYFQBYCAO-HZPDHXFCSA-N 1 1 355.435 0.364 20 5 FCBDMO O=C(NCC1([NH2+]CCN2CCNC2=O)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001115530800 846561431 /nfs/dbraw/zinc/56/14/31/846561431.db2.gz RZMMOLOXDCBYPM-CHWSQXEVSA-N 1 1 353.423 0.086 20 5 FCBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])N(Cc1ccsc1)C1CC1 ZINC001126949697 848714294 /nfs/dbraw/zinc/71/42/94/848714294.db2.gz WOGAYOVWVXFIJN-ZIAGYGMSSA-N 1 1 366.443 0.610 20 5 FCBDMO CCc1ccc(CNC(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001126939257 848715056 /nfs/dbraw/zinc/71/50/56/848715056.db2.gz UUHSBWNOPNJPHX-CHWSQXEVSA-N 1 1 354.432 0.298 20 5 FCBDMO CCC(C)(C)NC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164490447 850414152 /nfs/dbraw/zinc/41/41/52/850414152.db2.gz KCOJYIPXKUDETH-CHWSQXEVSA-N 1 1 354.451 0.833 20 5 FCBDMO O=C(NCCC1(C[NH2+]CCCN2CCCC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164497297 850415415 /nfs/dbraw/zinc/41/54/15/850415415.db2.gz SHPGCAZSGMWBML-ZIAGYGMSSA-N 1 1 352.435 0.540 20 5 FCBDMO COC(=O)c1nc(Cl)nc(N2CC([N@@H+](C)[C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001165203724 850427689 /nfs/dbraw/zinc/42/76/89/850427689.db2.gz CGWMSCTVGJPSSX-MRVPVSSYSA-N 1 1 371.781 0.734 20 5 FCBDMO CCN1C[C@@]23C[N@H+]([C@H]4CC[C@H](C[N+](=O)[O-])C4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001169017968 850602405 /nfs/dbraw/zinc/60/24/05/850602405.db2.gz BCSFSFZKRWQIML-RMEBNNNOSA-N 1 1 359.448 0.309 20 5 FCBDMO O=C(C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccon1 ZINC001178450056 850899526 /nfs/dbraw/zinc/89/95/26/850899526.db2.gz PUSAAMHAESTZFH-VXGBXAGGSA-N 1 1 353.379 0.545 20 5 FCBDMO COc1cncc(C[NH2+]CCCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001178463253 850900388 /nfs/dbraw/zinc/90/03/88/850900388.db2.gz CBHLTSWFYFPYEG-ZIAGYGMSSA-N 1 1 351.407 0.917 20 5 FCBDMO O=C(C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NCc1cccs1 ZINC001200472649 853499614 /nfs/dbraw/zinc/49/96/14/853499614.db2.gz SMILROUABYIFRA-ZIAGYGMSSA-N 1 1 366.443 0.610 20 5 FCBDMO C[N@H+](CCO)CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC001307208203 866648162 /nfs/dbraw/zinc/64/81/62/866648162.db2.gz HUATZUOVPNNCSS-UHFFFAOYSA-N 1 1 353.347 0.927 20 5 FCBDMO C[N@@H+](CCO)CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC001307208203 866648177 /nfs/dbraw/zinc/64/81/77/866648177.db2.gz HUATZUOVPNNCSS-UHFFFAOYSA-N 1 1 353.347 0.927 20 5 FCBDMO CS(=O)(=O)N1CC(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC001307544223 866665167 /nfs/dbraw/zinc/66/51/67/866665167.db2.gz DSWAGVNAYCLFAI-GFCCVEGCSA-N 1 1 355.420 0.367 20 5 FCBDMO NC(=O)[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1C(N)=O ZINC001307927209 866684345 /nfs/dbraw/zinc/68/43/45/866684345.db2.gz AAHYZUVDXJRJGB-AOOOYVTPSA-N 1 1 371.191 0.376 20 5 FCBDMO NC(=O)[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1C(N)=O ZINC001307927209 866684354 /nfs/dbraw/zinc/68/43/54/866684354.db2.gz AAHYZUVDXJRJGB-AOOOYVTPSA-N 1 1 371.191 0.376 20 5 FCBDMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2c(C)cncc2[N+](=O)[O-])CC1 ZINC001310520385 867035490 /nfs/dbraw/zinc/03/54/90/867035490.db2.gz ZMLJRDRRAZLUHP-UHFFFAOYSA-N 1 1 350.379 0.052 20 5 FCBDMO C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC001356584409 868030485 /nfs/dbraw/zinc/03/04/85/868030485.db2.gz OKRZFIPWFUPSMN-GJZGRUSLSA-N 1 1 352.435 0.560 20 5 FCBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(OCC(N)=O)CC1 ZINC001319934311 868037029 /nfs/dbraw/zinc/03/70/29/868037029.db2.gz LCLGITWGOTVLSA-NSHDSACASA-N 1 1 350.375 0.888 20 5 FCBDMO O=[N+]([O-])Cc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CC1CC1 ZINC001345151454 871207517 /nfs/dbraw/zinc/20/75/17/871207517.db2.gz PYPDOLIENBQGBR-AWEZNQCLSA-N 1 1 350.423 0.623 20 5 FCBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000823651951 946461867 /nfs/dbraw/zinc/46/18/67/946461867.db2.gz SRLREBLDTIDKCM-UHFFFAOYSA-N 1 1 370.377 0.189 20 5 FCBDMO COc1cc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])cc1F ZINC000294924789 214270614 /nfs/dbraw/zinc/27/06/14/214270614.db2.gz KUOMBZHFVCTHDG-UHFFFAOYSA-N 1 1 368.365 0.636 20 5 FCBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CCn2ccnc21 ZINC000296668424 214358880 /nfs/dbraw/zinc/35/88/80/214358880.db2.gz FRIWWMQFTWKKAA-LLVKDONJSA-N 1 1 351.388 0.804 20 5 FCBDMO C[NH+]1CCN(C(=O)CCNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000265057322 210046243 /nfs/dbraw/zinc/04/62/43/210046243.db2.gz PXIWYBCWXIEEPG-UHFFFAOYSA-N 1 1 350.375 0.254 20 5 FCBDMO C[C@H]1C[C@@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000332163512 215103497 /nfs/dbraw/zinc/10/34/97/215103497.db2.gz QJPPNLDGNPQIFC-RYUDHWBXSA-N 1 1 362.386 0.919 20 5 FCBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c([N+](=O)[O-])c1 ZINC000411958379 237124695 /nfs/dbraw/zinc/12/46/95/237124695.db2.gz UDWGBHJFLTZSPR-LLVKDONJSA-N 1 1 350.375 0.952 20 5 FCBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c([N+](=O)[O-])c1 ZINC000411958379 237124707 /nfs/dbraw/zinc/12/47/07/237124707.db2.gz UDWGBHJFLTZSPR-LLVKDONJSA-N 1 1 350.375 0.952 20 5 FCBDMO NS(=O)(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000368681160 216281227 /nfs/dbraw/zinc/28/12/27/216281227.db2.gz UKIGHTQVPDCAHB-CYBMUJFWSA-N 1 1 356.404 0.676 20 5 FCBDMO O=C1NCCN1[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000368807824 216298380 /nfs/dbraw/zinc/29/83/80/216298380.db2.gz ZFNOLGILKOPVSG-HUUCEWRRSA-N 1 1 364.402 0.824 20 5 FCBDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000369284446 216378033 /nfs/dbraw/zinc/37/80/33/216378033.db2.gz RFBOQVLNWQTLPD-NUEKZKHPSA-N 1 1 364.406 0.474 20 5 FCBDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000369284444 216379059 /nfs/dbraw/zinc/37/90/59/216379059.db2.gz RFBOQVLNWQTLPD-CWRNSKLLSA-N 1 1 364.406 0.474 20 5 FCBDMO [NH3+]CC(F)(F)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000190270091 209269433 /nfs/dbraw/zinc/26/94/33/209269433.db2.gz UXZHCZWEWZETBX-QMMMGPOBSA-N 1 1 362.358 0.971 20 5 FCBDMO C[C@@H](O)C[N@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000189926964 209263373 /nfs/dbraw/zinc/26/33/73/209263373.db2.gz HDJOWKNSSQITJM-ZNMIVQPWSA-N 1 1 353.419 0.721 20 5 FCBDMO C[C@@H](O)C[N@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000189926947 209262798 /nfs/dbraw/zinc/26/27/98/209262798.db2.gz HDJOWKNSSQITJM-KFWWJZLASA-N 1 1 353.419 0.721 20 5 FCBDMO COC(=O)c1cnc(NCCC[N@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000276891636 212303811 /nfs/dbraw/zinc/30/38/11/212303811.db2.gz MFSLPCWVYQIZAM-NSHDSACASA-N 1 1 351.363 0.528 20 5 FCBDMO Cc1nn(CCC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000186984673 209204186 /nfs/dbraw/zinc/20/41/86/209204186.db2.gz JWPNXUCCJCJVQL-VXGBXAGGSA-N 1 1 353.423 0.712 20 5 FCBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186618200 209194209 /nfs/dbraw/zinc/19/42/09/209194209.db2.gz KXNUVCLXOICJMK-LBPRGKRZSA-N 1 1 350.350 0.770 20 5 FCBDMO COC(=O)c1cc(C(=O)NCC[N@@H+]2CCCOCC2)cc([N+](=O)[O-])c1 ZINC000275836509 212100150 /nfs/dbraw/zinc/10/01/50/212100150.db2.gz LIEPRYXFDRIMMV-UHFFFAOYSA-N 1 1 351.359 0.834 20 5 FCBDMO COC(=O)c1cc(C(=O)NCC[N@H+]2CCCOCC2)cc([N+](=O)[O-])c1 ZINC000275836509 212100152 /nfs/dbraw/zinc/10/01/52/212100152.db2.gz LIEPRYXFDRIMMV-UHFFFAOYSA-N 1 1 351.359 0.834 20 5 FCBDMO CC(C)(C)OC(=O)CNC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373286363 217003785 /nfs/dbraw/zinc/00/37/85/217003785.db2.gz RKKHBMDPDYURBB-UHFFFAOYSA-N 1 1 367.406 0.886 20 5 FCBDMO NS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000373254200 217000255 /nfs/dbraw/zinc/00/02/55/217000255.db2.gz XSPURCCWSRWHCO-VXGBXAGGSA-N 1 1 359.404 0.087 20 5 FCBDMO NS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000373254200 217000257 /nfs/dbraw/zinc/00/02/57/217000257.db2.gz XSPURCCWSRWHCO-VXGBXAGGSA-N 1 1 359.404 0.087 20 5 FCBDMO CNS(=O)(=O)c1ccc(N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000275400613 212020050 /nfs/dbraw/zinc/02/00/50/212020050.db2.gz RFMZHRSSMUDUFA-NEPJUHHUSA-N 1 1 372.447 0.394 20 5 FCBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000275388334 212017355 /nfs/dbraw/zinc/01/73/55/212017355.db2.gz NCAGRHGFLSKEDF-UHFFFAOYSA-N 1 1 365.383 0.335 20 5 FCBDMO CC1(C)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@]2(CCCOC2)O1 ZINC000373760259 217055715 /nfs/dbraw/zinc/05/57/15/217055715.db2.gz VPCYGAIKBALTAS-ZBFHGGJFSA-N 1 1 354.407 0.812 20 5 FCBDMO COC(=O)CC[N@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000182089559 209125241 /nfs/dbraw/zinc/12/52/41/209125241.db2.gz RZNQDAMJMIUAPJ-ZDUSSCGKSA-N 1 1 352.391 0.326 20 5 FCBDMO Cc1n[nH]c(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000440517088 248194043 /nfs/dbraw/zinc/19/40/43/248194043.db2.gz UUYXDEHHZSGMAI-QGZVFWFLSA-N 1 1 359.386 0.993 20 5 FCBDMO CN(CC(=O)NC[C@H]1CCC[N@H+]1CCCO)c1ccccc1[N+](=O)[O-] ZINC000452364514 249312607 /nfs/dbraw/zinc/31/26/07/249312607.db2.gz MTEVEGHGOWMOGW-CQSZACIVSA-N 1 1 350.419 0.994 20 5 FCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000453038732 249343089 /nfs/dbraw/zinc/34/30/89/249343089.db2.gz QNVNUFHLNAFWPT-YPMHNXCESA-N 1 1 364.427 0.948 20 5 FCBDMO NC(=O)c1ccc(N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)nc1 ZINC000270602808 211232768 /nfs/dbraw/zinc/23/27/68/211232768.db2.gz XCJYUYQTCQVKOA-UHFFFAOYSA-N 1 1 372.385 0.073 20 5 FCBDMO Cc1[nH+]ccn1CCNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000468799634 249937401 /nfs/dbraw/zinc/93/74/01/249937401.db2.gz CLZKOCVWUYGCCZ-UHFFFAOYSA-N 1 1 367.387 0.486 20 5 FCBDMO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270552931 211221319 /nfs/dbraw/zinc/22/13/19/211221319.db2.gz HHPZUBYENXSOLF-LBPRGKRZSA-N 1 1 358.420 0.160 20 5 FCBDMO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270552931 211221320 /nfs/dbraw/zinc/22/13/20/211221320.db2.gz HHPZUBYENXSOLF-LBPRGKRZSA-N 1 1 358.420 0.160 20 5 FCBDMO Cc1c(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000469701343 250000413 /nfs/dbraw/zinc/00/04/13/250000413.db2.gz MYICHVJVPWMXGR-KOLCDFICSA-N 1 1 370.431 0.763 20 5 FCBDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000472034872 250128638 /nfs/dbraw/zinc/12/86/38/250128638.db2.gz JPPBKSKOXXGILO-GFCCVEGCSA-N 1 1 367.406 0.622 20 5 FCBDMO COC(=O)c1cc(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000473366431 250223972 /nfs/dbraw/zinc/22/39/72/250223972.db2.gz BRZGYWVYLAFIQC-RYUDHWBXSA-N 1 1 365.386 0.909 20 5 FCBDMO COC(=O)c1cc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000473366431 250223975 /nfs/dbraw/zinc/22/39/75/250223975.db2.gz BRZGYWVYLAFIQC-RYUDHWBXSA-N 1 1 365.386 0.909 20 5 FCBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000481677558 250350155 /nfs/dbraw/zinc/35/01/55/250350155.db2.gz OHDXHPINIIPMAH-HUUCEWRRSA-N 1 1 373.413 0.941 20 5 FCBDMO CC[N@@H+](CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000269692684 211045821 /nfs/dbraw/zinc/04/58/21/211045821.db2.gz ONLILLWGBXPWIP-UHFFFAOYSA-N 1 1 370.431 0.474 20 5 FCBDMO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CC[NH2+]CC1 ZINC000236623777 209341927 /nfs/dbraw/zinc/34/19/27/209341927.db2.gz SLLHSWPOEXPIJY-UHFFFAOYSA-N 1 1 350.194 0.951 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@H+](C)C1 ZINC000413899160 533002226 /nfs/dbraw/zinc/00/22/26/533002226.db2.gz CPFPUHOTLBFGMK-SECBINFHSA-N 1 1 354.338 0.493 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@@H+](C)C1 ZINC000413899160 533002228 /nfs/dbraw/zinc/00/22/28/533002228.db2.gz CPFPUHOTLBFGMK-SECBINFHSA-N 1 1 354.338 0.493 20 5 FCBDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000057552468 208007069 /nfs/dbraw/zinc/00/70/69/208007069.db2.gz IUDLPXFRNURKRI-MCIONIFRSA-N 1 1 351.407 0.892 20 5 FCBDMO CN1CC[NH+](CCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000061211504 208012146 /nfs/dbraw/zinc/01/21/46/208012146.db2.gz GXIXFGDEVUQAIU-UHFFFAOYSA-N 1 1 351.363 0.870 20 5 FCBDMO C[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 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366.418 0.547 20 5 FCBDMO COc1ccc([C@H](CO)[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000173742778 488845076 /nfs/dbraw/zinc/84/50/76/488845076.db2.gz ZWKIJRJKXYGNAK-HOCLYGCPSA-N 1 1 350.375 0.826 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(Cc3cccc(O)c3)CC2)c1 ZINC000174660795 488850467 /nfs/dbraw/zinc/85/04/67/488850467.db2.gz GQKWEDVWHHPBKJ-KRWDZBQOSA-N 1 1 361.402 0.676 20 5 FCBDMO CNC(=O)[C@@]1(C)CC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000280305173 488996610 /nfs/dbraw/zinc/99/66/10/488996610.db2.gz BRBHERPVTKSVBK-DYVFJYSZSA-N 1 1 360.370 0.685 20 5 FCBDMO CCOc1cc(N2CC[NH+](CCCS(N)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000280324261 488998717 /nfs/dbraw/zinc/99/87/17/488998717.db2.gz YTAGVEZEZIQHBD-UHFFFAOYSA-N 1 1 372.447 0.794 20 5 FCBDMO C[N@H+]1CCN(CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1(C)C ZINC000281693665 489098339 /nfs/dbraw/zinc/09/83/39/489098339.db2.gz SANPTKLLIJYDLQ-UHFFFAOYSA-N 1 1 371.463 0.680 20 5 FCBDMO 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FCBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC1CC[NH+](CCO)CC1 ZINC000161419872 534886599 /nfs/dbraw/zinc/88/65/99/534886599.db2.gz SDDFLTZNZHDFRS-UHFFFAOYSA-N 1 1 361.395 0.717 20 5 FCBDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000592196543 546946452 /nfs/dbraw/zinc/94/64/52/546946452.db2.gz KZCLIONNOCNSTE-NWDGAFQWSA-N 1 1 354.359 0.838 20 5 FCBDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000592389621 546949382 /nfs/dbraw/zinc/94/93/82/546949382.db2.gz ZIGGVKKUGHFQRZ-CQSZACIVSA-N 1 1 371.415 0.304 20 5 FCBDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000592388175 546949391 /nfs/dbraw/zinc/94/93/91/546949391.db2.gz BSFQRJHVRVQRHD-CYBMUJFWSA-N 1 1 371.415 0.737 20 5 FCBDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000592388400 546949508 /nfs/dbraw/zinc/94/95/08/546949508.db2.gz JLXYFTWDSKTCFG-CYBMUJFWSA-N 1 1 371.415 0.737 20 5 FCBDMO COCCOCC[NH+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000593115139 546963128 /nfs/dbraw/zinc/96/31/28/546963128.db2.gz GGXXOYHRCJKIOX-UHFFFAOYSA-N 1 1 354.407 0.037 20 5 FCBDMO COCCOCC[NH+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000593518939 546969511 /nfs/dbraw/zinc/96/95/11/546969511.db2.gz WDWWRKNLMPNDGC-UHFFFAOYSA-N 1 1 350.379 0.423 20 5 FCBDMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000594008638 546995176 /nfs/dbraw/zinc/99/51/76/546995176.db2.gz XPNJOUURLPWUON-CQSZACIVSA-N 1 1 353.423 0.051 20 5 FCBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594766701 547007028 /nfs/dbraw/zinc/00/70/28/547007028.db2.gz JAQWDPYIOQZMMH-UHFFFAOYSA-N 1 1 368.415 0.736 20 5 FCBDMO C[N@H+]1CCC[C@H](N2CCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC2)C1 ZINC000736854196 599060296 /nfs/dbraw/zinc/06/02/96/599060296.db2.gz BJCFBWPUTYUJGW-AWEZNQCLSA-N 1 1 372.433 0.991 20 5 FCBDMO C[N@H+]1CCC[C@H](N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)C1 ZINC000736856711 599060457 /nfs/dbraw/zinc/06/04/57/599060457.db2.gz MJBNGQCDPIGZCD-LBPRGKRZSA-N 1 1 373.421 0.386 20 5 FCBDMO CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1CCOC ZINC000736409583 598501731 /nfs/dbraw/zinc/50/17/31/598501731.db2.gz WNWZWJBDAFQEBU-NSHDSACASA-N 1 1 362.394 0.717 20 5 FCBDMO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1C[C@@H](C)O ZINC000736410635 598501830 /nfs/dbraw/zinc/50/18/30/598501830.db2.gz ZEPQWIYYBYCJRN-GHMZBOCLSA-N 1 1 362.394 0.451 20 5 FCBDMO O=C(C[NH+]1CCCC1)N1[C@@H]2CCC[C@H]1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000952713452 674480002 /nfs/dbraw/zinc/48/00/02/674480002.db2.gz IDJXULWSDPJIKY-LXTVHRRPSA-N 1 1 350.419 0.339 20 5 FCBDMO CN(C(=O)C12CC[NH+](CC1)C2)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000954096106 674490266 /nfs/dbraw/zinc/49/02/66/674490266.db2.gz DIXYUELRFHROHK-ZIAGYGMSSA-N 1 1 350.419 0.197 20 5 FCBDMO CC[C@@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000820994172 606707710 /nfs/dbraw/zinc/70/77/10/606707710.db2.gz FRXSNVGSQDBMDO-GHMZBOCLSA-N 1 1 362.394 0.451 20 5 FCBDMO COCc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC000983647696 664978176 /nfs/dbraw/zinc/97/81/76/664978176.db2.gz BKITVKVDRQYZQR-FPQZTECRSA-N 1 1 354.432 0.939 20 5 FCBDMO CC(C)(C)n1ncnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983656201 664980137 /nfs/dbraw/zinc/98/01/37/664980137.db2.gz ZOCSFWJYQMPCRV-FDYHWXHSSA-N 1 1 350.423 0.683 20 5 FCBDMO Cc1cc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000920009799 667218663 /nfs/dbraw/zinc/21/86/63/667218663.db2.gz MXNDRHHOKGJVIO-WFASDCNBSA-N 1 1 356.448 0.816 20 5 FCBDMO Cc1cc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000920009799 667218666 /nfs/dbraw/zinc/21/86/66/667218666.db2.gz MXNDRHHOKGJVIO-WFASDCNBSA-N 1 1 356.448 0.816 20 5 FCBDMO Cc1cc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000920009786 667218860 /nfs/dbraw/zinc/21/88/60/667218860.db2.gz MXNDRHHOKGJVIO-DOMZBBRYSA-N 1 1 356.448 0.816 20 5 FCBDMO Cc1cc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000920009786 667218861 /nfs/dbraw/zinc/21/88/61/667218861.db2.gz MXNDRHHOKGJVIO-DOMZBBRYSA-N 1 1 356.448 0.816 20 5 FCBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](CCCN2CCCC2=O)CC1 ZINC001005380006 667739120 /nfs/dbraw/zinc/73/91/20/667739120.db2.gz AEXAWGCZHSJKHY-HUUCEWRRSA-N 1 1 352.435 0.587 20 5 FCBDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000773960217 668115078 /nfs/dbraw/zinc/11/50/78/668115078.db2.gz DZXXXKDQFWPSIL-XKQJLSEDSA-N 1 1 354.403 0.974 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000823927516 669366563 /nfs/dbraw/zinc/36/65/63/669366563.db2.gz ZVOBHBBAHMYKRQ-JTQLQIEISA-N 1 1 351.363 0.746 20 5 FCBDMO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000808159345 669544687 /nfs/dbraw/zinc/54/46/87/669544687.db2.gz NLLBSPAJGDRCTH-BXUZGUMPSA-N 1 1 350.331 0.784 20 5 FCBDMO O=C1OCCN1c1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000842679810 670711360 /nfs/dbraw/zinc/71/13/60/670711360.db2.gz UKWFWSCUYQTOPR-UHFFFAOYSA-N 1 1 356.360 0.145 20 5 FCBDMO O=C(C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1)NC1CCCC1 ZINC001048814305 675898589 /nfs/dbraw/zinc/89/85/89/675898589.db2.gz DJDOPVWYRMKBHY-AYRXBEOTSA-N 1 1 350.419 0.101 20 5 FCBDMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1)NC1CCCC1 ZINC001048814305 675898592 /nfs/dbraw/zinc/89/85/92/675898592.db2.gz DJDOPVWYRMKBHY-AYRXBEOTSA-N 1 1 350.419 0.101 20 5 FCBDMO O=C(C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1)NC1CCCC1 ZINC001048814305 675898593 /nfs/dbraw/zinc/89/85/93/675898593.db2.gz DJDOPVWYRMKBHY-AYRXBEOTSA-N 1 1 350.419 0.101 20 5 FCBDMO C[C@@H](C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)NC(=O)OC(C)(C)C ZINC000860093476 671869709 /nfs/dbraw/zinc/86/97/09/671869709.db2.gz BVDKCCURFQVVDN-WCQYABFASA-N 1 1 357.411 0.997 20 5 FCBDMO CC(C)(C)CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055520121 676022113 /nfs/dbraw/zinc/02/21/13/676022113.db2.gz PKJBBKJBDNIXSW-ZIAGYGMSSA-N 1 1 354.451 0.785 20 5 FCBDMO CC/C=C(/C)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055534147 676022863 /nfs/dbraw/zinc/02/28/63/676022863.db2.gz CNSSQVNLMOQYDN-GVEVTVJESA-N 1 1 352.435 0.705 20 5 FCBDMO O=C(C=C1CCC1)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055557418 676023906 /nfs/dbraw/zinc/02/39/06/676023906.db2.gz DDDAJEQVDDZGGZ-HUUCEWRRSA-N 1 1 350.419 0.459 20 5 FCBDMO CCn1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC001050326271 676081840 /nfs/dbraw/zinc/08/18/40/676081840.db2.gz VMBZRWKTNLXFIH-QHSBEEBCSA-N 1 1 350.423 0.728 20 5 FCBDMO C[NH+](C)C1(C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C3)CCC1 ZINC001019106691 675421118 /nfs/dbraw/zinc/42/11/18/675421118.db2.gz CFWPEJDORSQNMD-CHWSQXEVSA-N 1 1 350.419 0.197 20 5 FCBDMO O=C(C[NH2+][C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)N1CCCCCCC1 ZINC001020139528 675435494 /nfs/dbraw/zinc/43/54/94/675435494.db2.gz CXHQDBHBSYTBER-KBUPBQIOSA-N 1 1 352.435 0.681 20 5 FCBDMO O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC[NH+](CC2CC2)CC1 ZINC000973257038 1182147913 /nfs/dbraw/zinc/14/79/13/1182147913.db2.gz HLBGLZVOXBXQDO-KLHDSHLOSA-N 1 1 364.446 0.537 20 5 FCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cccc4c3CCOC4)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025777638 1182824726 /nfs/dbraw/zinc/82/47/26/1182824726.db2.gz NXFBPZZHLSNRIH-SFFUCWETSA-N 1 1 357.410 0.971 20 5 FCBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cccc4c3CCOC4)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025777638 1182824728 /nfs/dbraw/zinc/82/47/28/1182824728.db2.gz NXFBPZZHLSNRIH-SFFUCWETSA-N 1 1 357.410 0.971 20 5 FCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cccc4c3CCOC4)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025777638 1182824731 /nfs/dbraw/zinc/82/47/31/1182824731.db2.gz NXFBPZZHLSNRIH-SFFUCWETSA-N 1 1 357.410 0.971 20 5 FCBDMO Cn1cc(CC[N@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@]3(C)C2)cn1 ZINC000982278409 1186694647 /nfs/dbraw/zinc/69/46/47/1186694647.db2.gz BKLNSVUNZGSHCT-AHCXZYCDSA-N 1 1 361.446 0.798 20 5 FCBDMO Cn1cc(CC[N@@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@@]3(C)C2)cn1 ZINC000982278409 1186694651 /nfs/dbraw/zinc/69/46/51/1186694651.db2.gz BKLNSVUNZGSHCT-AHCXZYCDSA-N 1 1 361.446 0.798 20 5 FCBDMO Cn1cc(CC[N@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@@]3(C)C2)cn1 ZINC000982278409 1186694654 /nfs/dbraw/zinc/69/46/54/1186694654.db2.gz BKLNSVUNZGSHCT-AHCXZYCDSA-N 1 1 361.446 0.798 20 5 FCBDMO CCc1nnc(CN2C[C@]3(C)CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@]3(C)C2)o1 ZINC000982278513 1186694732 /nfs/dbraw/zinc/69/47/32/1186694732.db2.gz HAKXFVCHROFLTA-SKNMWMDOSA-N 1 1 363.418 0.968 20 5 FCBDMO CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000899139414 1194115500 /nfs/dbraw/zinc/11/55/00/1194115500.db2.gz GZCBDELDYNYCLH-CVEARBPZSA-N 1 1 360.414 0.979 20 5 FCBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCCCOC1CCCCC1 ZINC001126938744 1194624759 /nfs/dbraw/zinc/62/47/59/1194624759.db2.gz JEOFBOLQBDYKDO-HUUCEWRRSA-N 1 1 370.450 0.213 20 5 FCBDMO O=C1C[C@@H]([N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000594660268 1196733742 /nfs/dbraw/zinc/73/37/42/1196733742.db2.gz MLIQLFALBIDKND-BYCMXARLSA-N 1 1 372.381 0.827 20 5 FCBDMO O=C1C[C@@H]([N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000594660268 1196733753 /nfs/dbraw/zinc/73/37/53/1196733753.db2.gz MLIQLFALBIDKND-BYCMXARLSA-N 1 1 372.381 0.827 20 5 FCBDMO O=C(N[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001169027077 1199043023 /nfs/dbraw/zinc/04/30/23/1199043023.db2.gz ZTWKWJGWUDIIHO-GLKFPVFTSA-N 1 1 361.402 0.351 20 5 FCBDMO CN(C)C(=O)CN1CC[C@]2(CCC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1=O ZINC001169018365 1199043270 /nfs/dbraw/zinc/04/32/70/1199043270.db2.gz AVPZDMYBPQVIHS-MPGHIAIKSA-N 1 1 366.462 0.835 20 5 FCBDMO O=C([C@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]2OCC[C@H]21)N1CCOCC1 ZINC001169020970 1199044105 /nfs/dbraw/zinc/04/41/05/1199044105.db2.gz MRBDOSKJYJDMMC-QUSNUVHPSA-N 1 1 367.446 0.628 20 5 FCBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818592617 1203143104 /nfs/dbraw/zinc/14/31/04/1203143104.db2.gz CVZHWPJNDZDQPE-OAHLLOKOSA-N 1 1 369.385 0.851 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823999026 1203281558 /nfs/dbraw/zinc/28/15/58/1203281558.db2.gz ZCRDNQMZKRZEMR-LLVKDONJSA-N 1 1 364.406 0.886 20 5 FCBDMO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000843997408 1203327290 /nfs/dbraw/zinc/32/72/90/1203327290.db2.gz FLKZBLJFAJFLIL-WBMJQRKESA-N 1 1 360.370 0.365 20 5 FCBDMO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000843997408 1203327291 /nfs/dbraw/zinc/32/72/91/1203327291.db2.gz FLKZBLJFAJFLIL-WBMJQRKESA-N 1 1 360.370 0.365 20 5 FCBDMO CC1CC[NH+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000969003322 1212221353 /nfs/dbraw/zinc/22/13/53/1212221353.db2.gz DQBKWBOTDJOLPB-QKPAOTATSA-N 1 1 364.446 0.585 20 5 FCBDMO Cn1ncc(C[NH+]2CCC3(CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC3)CC2)n1 ZINC000957548024 1213320471 /nfs/dbraw/zinc/32/04/71/1213320471.db2.gz XLRBJGVPGGTWOO-HUUCEWRRSA-N 1 1 362.434 0.685 20 5 FCBDMO C[NH+](C)Cc1cccc(C(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001011114133 1213830274 /nfs/dbraw/zinc/83/02/74/1213830274.db2.gz GHBDFXJRVCPJHF-HZPDHXFCSA-N 1 1 360.414 0.698 20 5 FCBDMO O=C(CC[NH+]1CCCCC1)N1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001017446280 1214097024 /nfs/dbraw/zinc/09/70/24/1214097024.db2.gz OKDQEUGEDLJGSB-HZPDHXFCSA-N 1 1 364.446 0.803 20 5 FCBDMO O=C(c1ccc2c[nH+]cn2c1)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001019014903 1214179434 /nfs/dbraw/zinc/17/94/34/1214179434.db2.gz GFHWQJXGHIFELT-HUUCEWRRSA-N 1 1 369.381 0.674 20 5 FCBDMO CC(C)(C)/C=C/C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055544995 1219075077 /nfs/dbraw/zinc/07/50/77/1219075077.db2.gz BKHQGZMQFZKHOQ-HYBGQWMJSA-N 1 1 366.462 0.951 20 5 FCBDMO CC1(C(=O)NC2CC[NH+](CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CCCC1 ZINC001055575456 1219084620 /nfs/dbraw/zinc/08/46/20/1219084620.db2.gz FEKQLHVHOUXUJP-HUUCEWRRSA-N 1 1 366.462 0.929 20 5 FCBDMO O=C(NCC[NH+]1CCC(NC(=O)C2CC3(CC3)C2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001055575488 1219084846 /nfs/dbraw/zinc/08/48/46/1219084846.db2.gz WPBHYXYCQIXUAP-HUUCEWRRSA-N 1 1 364.446 0.539 20 5 FCBDMO CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC001074330776 1219686215 /nfs/dbraw/zinc/68/62/15/1219686215.db2.gz QLNHFIYVUQBCIY-QKPAOTATSA-N 1 1 366.462 0.690 20 5 FCBDMO CCC[N@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC001074330776 1219686217 /nfs/dbraw/zinc/68/62/17/1219686217.db2.gz QLNHFIYVUQBCIY-QKPAOTATSA-N 1 1 366.462 0.690 20 5 FCBDMO CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC001074330776 1219686218 /nfs/dbraw/zinc/68/62/18/1219686218.db2.gz QLNHFIYVUQBCIY-QKPAOTATSA-N 1 1 366.462 0.690 20 5 FCBDMO Cn1ncc(C[NH2+]CC(C)(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001101540559 1220377108 /nfs/dbraw/zinc/37/71/08/1220377108.db2.gz JQCVNRJPULYYIL-HUUCEWRRSA-N 1 1 364.450 0.835 20 5 FCBDMO O=C(NCC[NH+]1CC=CC1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC001116787500 1221390360 /nfs/dbraw/zinc/39/03/60/1221390360.db2.gz NQPUROHXPRZVBL-UHFFFAOYSA-N 1 1 358.354 0.850 20 5 FCBDMO O=C(NC1CC2(C1)CC([NH2+]CCCN1CCCC1=O)C2)[C@@H]1CC1[N+](=O)[O-] ZINC001121087856 1222146834 /nfs/dbraw/zinc/14/68/34/1222146834.db2.gz XMZGWRRVEMAOIH-BSGOTLCWSA-N 1 1 364.446 0.681 20 5 FCBDMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001123591559 1222342019 /nfs/dbraw/zinc/34/20/19/1222342019.db2.gz LZBBXEGLXHURIE-HIFRSBDPSA-N 1 1 360.418 0.027 20 5 FCBDMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001123591561 1222342076 /nfs/dbraw/zinc/34/20/76/1222342076.db2.gz LZBBXEGLXHURIE-ZFWWWQNUSA-N 1 1 360.418 0.027 20 5 FCBDMO C[N@H+]1CC[C@@H]2CN(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]21 ZINC000831724609 1222505330 /nfs/dbraw/zinc/50/53/30/1222505330.db2.gz ZGFYTDAHTAPUSE-QAPCUYQASA-N 1 1 373.457 0.879 20 5 FCBDMO C[C@@H]1CN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000836865973 1222631304 /nfs/dbraw/zinc/63/13/04/1222631304.db2.gz RUWSQCZRIDBILS-BETUJISGSA-N 1 1 365.386 0.700 20 5 FCBDMO C[C@@H]1CN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000836865973 1222631306 /nfs/dbraw/zinc/63/13/06/1222631306.db2.gz RUWSQCZRIDBILS-BETUJISGSA-N 1 1 365.386 0.700 20 5 FCBDMO COC(=O)[C@H]1[C@@H]2C[N@@H+](CN3C(=O)C[C@H]3Oc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000840076205 1222769527 /nfs/dbraw/zinc/76/95/27/1222769527.db2.gz KABSHGFPFMZTCG-CLWVCHIJSA-N 1 1 361.354 0.840 20 5 FCBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](CN3C(=O)C[C@H]3Oc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000840076205 1222769531 /nfs/dbraw/zinc/76/95/31/1222769531.db2.gz KABSHGFPFMZTCG-CLWVCHIJSA-N 1 1 361.354 0.840 20 5 FCBDMO CN(C)C(=O)[C@@H]1CC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840176241 1222777289 /nfs/dbraw/zinc/77/72/89/1222777289.db2.gz YTXSWPDMGXOHHZ-WBMJQRKESA-N 1 1 362.386 0.900 20 5 FCBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840176241 1222777291 /nfs/dbraw/zinc/77/72/91/1222777291.db2.gz YTXSWPDMGXOHHZ-WBMJQRKESA-N 1 1 362.386 0.900 20 5 FCBDMO CN(C)C(=O)[C@H]1CC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840176238 1222777454 /nfs/dbraw/zinc/77/74/54/1222777454.db2.gz YTXSWPDMGXOHHZ-LRDDRELGSA-N 1 1 362.386 0.900 20 5 FCBDMO CN(C)C(=O)[C@H]1CC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840176238 1222777457 /nfs/dbraw/zinc/77/74/57/1222777457.db2.gz YTXSWPDMGXOHHZ-LRDDRELGSA-N 1 1 362.386 0.900 20 5 FCBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCc2cc(=O)n3c(n2)C[NH2+]CCC3)n1 ZINC001155495097 1223036844 /nfs/dbraw/zinc/03/68/44/1223036844.db2.gz NDYKUBKTPGBFEI-UHFFFAOYSA-N 1 1 374.357 0.439 20 5 FCBDMO CC(C)(C)c1cc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC001157767866 1223081782 /nfs/dbraw/zinc/08/17/82/1223081782.db2.gz YRHGUPCGPGWTFO-GHMZBOCLSA-N 1 1 367.406 0.672 20 5 FCBDMO Cn1c2ccccc2c(NCC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1=O ZINC001162243581 1223212042 /nfs/dbraw/zinc/21/20/42/1223212042.db2.gz CBVSAQRRIREWSS-UHFFFAOYSA-N 1 1 359.386 0.633 20 5 FCBDMO COc1ncnc(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC001165082619 1223241517 /nfs/dbraw/zinc/24/15/17/1223241517.db2.gz RUSCFPOQDFWCTD-UHFFFAOYSA-N 1 1 364.406 0.384 20 5 FCBDMO O=C([C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCNCC1 ZINC000923283765 1245706019 /nfs/dbraw/zinc/70/60/19/1245706019.db2.gz YCVKKXNNEBRXSK-DOTOQJQBSA-N 1 1 362.430 0.772 20 5 FCBDMO O=C([C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCNCC1 ZINC000923283765 1245706023 /nfs/dbraw/zinc/70/60/23/1245706023.db2.gz YCVKKXNNEBRXSK-DOTOQJQBSA-N 1 1 362.430 0.772 20 5 FCBDMO C[C@@H]1C[C@H](NC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC001327804625 1265429849 /nfs/dbraw/zinc/42/98/49/1265429849.db2.gz VUWJRYMIBRHFCA-OCCSQVGLSA-N 1 1 360.414 0.995 20 5 FCBDMO O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21)C12CCC[NH+](CCC1)C2 ZINC000976760784 1248391741 /nfs/dbraw/zinc/39/17/41/1248391741.db2.gz PFGNYVWIGPZVHS-QMIVOQANSA-N 1 1 362.430 0.101 20 5 FCBDMO NC(=O)c1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC000997766788 1251695549 /nfs/dbraw/zinc/69/55/49/1251695549.db2.gz BKGMORCDBOVMRT-HZPDHXFCSA-N 1 1 360.414 0.779 20 5 FCBDMO CC(C)c1nnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1C ZINC000997770231 1251696956 /nfs/dbraw/zinc/69/69/56/1251696956.db2.gz UUMREPYVVOSJGU-ZIAGYGMSSA-N 1 1 364.450 0.932 20 5 FCBDMO C[NH+](C)Cc1cccc(C(=O)N2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001001806258 1252353293 /nfs/dbraw/zinc/35/32/93/1252353293.db2.gz VAFGAGNQAKPOAU-HZPDHXFCSA-N 1 1 360.414 0.602 20 5 FCBDMO CCN1CCN([C@@H](C)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC001335934528 1259908962 /nfs/dbraw/zinc/90/89/62/1259908962.db2.gz RXWYIWNJLPEBAU-RDJZCZTQSA-N 1 1 366.462 0.950 20 5 FCBDMO C[C@@H](NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)c1cccc([N+](=O)[O-])c1 ZINC001258254977 1260040329 /nfs/dbraw/zinc/04/03/29/1260040329.db2.gz DYBYEBAONWGDCD-LLVKDONJSA-N 1 1 374.401 0.888 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+](CCO)C[C@@H]1C ZINC001307836517 1263201460 /nfs/dbraw/zinc/20/14/60/1263201460.db2.gz HAXDQFBFNXSWTR-ZDUSSCGKSA-N 1 1 366.418 0.930 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN(CCO)C[C@@H]1C ZINC001307836517 1263201468 /nfs/dbraw/zinc/20/14/68/1263201468.db2.gz HAXDQFBFNXSWTR-ZDUSSCGKSA-N 1 1 366.418 0.930 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(CCO)C[C@@H]1C ZINC001307836517 1263201480 /nfs/dbraw/zinc/20/14/80/1263201480.db2.gz HAXDQFBFNXSWTR-ZDUSSCGKSA-N 1 1 366.418 0.930 20 5 FCBDMO C[C@H](CNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC001321512072 1263980858 /nfs/dbraw/zinc/98/08/58/1263980858.db2.gz HQLLGTZFFNSJNF-CYBMUJFWSA-N 1 1 364.402 0.296 20 5 FCBDMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001322217916 1264168164 /nfs/dbraw/zinc/16/81/64/1264168164.db2.gz CVMAHCHMTDYJMW-UHFFFAOYSA-N 1 1 373.369 0.506 20 5 FCBDMO C[C@@H](NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC001323570649 1264457739 /nfs/dbraw/zinc/45/77/39/1264457739.db2.gz ORNXMNZCXIDJGS-IUODEOHRSA-N 1 1 364.402 0.389 20 5 FCBDMO C[C@@H](NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC001323570649 1264457743 /nfs/dbraw/zinc/45/77/43/1264457743.db2.gz ORNXMNZCXIDJGS-IUODEOHRSA-N 1 1 364.402 0.389 20 5 FCBDMO C[C@@H]1C[C@H](NC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC001324522087 1264663879 /nfs/dbraw/zinc/66/38/79/1264663879.db2.gz LHFRGNHEOHNSGI-OCCSQVGLSA-N 1 1 360.414 0.995 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC001325607233 1264944322 /nfs/dbraw/zinc/94/43/22/1264944322.db2.gz OCTCSZIEADBJHM-UHFFFAOYSA-N 1 1 364.402 0.772 20 5 FCBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCC(=O)N2CC[NH+](C)CC2)c1 ZINC001522495141 1266560865 /nfs/dbraw/zinc/56/08/65/1266560865.db2.gz PJRSDTNVLMENJO-UHFFFAOYSA-N 1 1 352.416 0.821 20 5 FCBDMO Cc1[nH+]ccn1CCCCNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001342539453 1269506577 /nfs/dbraw/zinc/50/65/77/1269506577.db2.gz HFUPKYNRMYMXCB-UHFFFAOYSA-N 1 1 363.378 0.009 20 5 FCBDMO CCOCCCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001343211441 1269813755 /nfs/dbraw/zinc/81/37/55/1269813755.db2.gz WGTGXKQFBRFTTH-KGLIPLIRSA-N 1 1 368.438 0.563 20 5 FCBDMO CCOCCCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001343211441 1269813760 /nfs/dbraw/zinc/81/37/60/1269813760.db2.gz WGTGXKQFBRFTTH-KGLIPLIRSA-N 1 1 368.438 0.563 20 5 FCBDMO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001344031617 1270079270 /nfs/dbraw/zinc/07/92/70/1270079270.db2.gz LZKNBXFOWGIYBJ-UONOGXRCSA-N 1 1 372.385 0.457 20 5 FCBDMO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC001580874839 1279081425 /nfs/dbraw/zinc/08/14/25/1279081425.db2.gz LQDRWRWQGJCVFP-MRVPVSSYSA-N 1 1 353.759 0.654 20 5 FCBDMO C[C@H](Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1)[C@H]1C[N@@H+](C)CCN1C ZINC001603684069 1287469645 /nfs/dbraw/zinc/46/96/45/1287469645.db2.gz UHSMQWQKXBNHTI-JOYOIKCWSA-N 1 1 361.410 0.403 20 5 FCBDMO C[C@H](Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1)[C@H]1CN(C)CC[N@@H+]1C ZINC001603684069 1287469647 /nfs/dbraw/zinc/46/96/47/1287469647.db2.gz UHSMQWQKXBNHTI-JOYOIKCWSA-N 1 1 361.410 0.403 20 5 FCBDMO C[C@H](Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1)[C@H]1CN(C)CC[N@H+]1C ZINC001603684069 1287469652 /nfs/dbraw/zinc/46/96/52/1287469652.db2.gz UHSMQWQKXBNHTI-JOYOIKCWSA-N 1 1 361.410 0.403 20 5 FCBDMO CC1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC[NH2+]CC1 ZINC001590149424 1283246611 /nfs/dbraw/zinc/24/66/11/1283246611.db2.gz QAUWXDZJGPYJTN-UHFFFAOYSA-N 1 1 367.391 0.195 20 5 FCBDMO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001590196050 1283303055 /nfs/dbraw/zinc/30/30/55/1283303055.db2.gz GHQSIYZDJQCLTB-BDAKNGLRSA-N 1 1 367.391 0.275 20 5 FCBDMO CCNC(=O)C[N@@H+]1CCCN(c2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001590740254 1283785314 /nfs/dbraw/zinc/78/53/14/1283785314.db2.gz NPJJJVRYQLRTDV-UHFFFAOYSA-N 1 1 374.405 0.423 20 5 FCBDMO CCNC(=O)C[N@H+]1CCCN(c2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001590740254 1283785324 /nfs/dbraw/zinc/78/53/24/1283785324.db2.gz NPJJJVRYQLRTDV-UHFFFAOYSA-N 1 1 374.405 0.423 20 5 FCBDMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001591003918 1284064376 /nfs/dbraw/zinc/06/43/76/1284064376.db2.gz NHTVSZSOTTZQGI-NSHDSACASA-N 1 1 374.405 0.963 20 5 FCBDMO C[NH+](C)CC(C)(C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001591011994 1284073638 /nfs/dbraw/zinc/07/36/38/1284073638.db2.gz JIPNFJCWIWAPMV-UHFFFAOYSA-N 1 1 369.407 0.393 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001592733286 1285645384 /nfs/dbraw/zinc/64/53/84/1285645384.db2.gz RNZXGIWAZGESHZ-ZDUSSCGKSA-N 1 1 360.378 0.527 20 5 FCBDMO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC001592740505 1285659020 /nfs/dbraw/zinc/65/90/20/1285659020.db2.gz LBQJFZUEKBGJCE-DTWKUNHWSA-N 1 1 367.391 0.323 20 5 FCBDMO [NH3+]CC1(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC001592742511 1285660874 /nfs/dbraw/zinc/66/08/74/1285660874.db2.gz FDSDOUUSQLFHBC-UHFFFAOYSA-N 1 1 367.391 0.182 20 5 FCBDMO Nc1c([N+](=O)[O-])ccc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1-c1nn[nH]n1 ZINC001592757500 1285679968 /nfs/dbraw/zinc/67/99/68/1285679968.db2.gz KSLBOSHKHRRNFU-NXEZZACHSA-N 1 1 360.378 0.632 20 5 FCBDMO O=C(NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001593018305 1285899902 /nfs/dbraw/zinc/89/99/02/1285899902.db2.gz QRJMEEWNUSHMQG-CHWSQXEVSA-N 1 1 357.374 0.270 20 5 FCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)c1-c1nn[nH]n1 ZINC001607085517 1288654081 /nfs/dbraw/zinc/65/40/81/1288654081.db2.gz UAOXWPUKRPODPM-VIFPVBQESA-N 1 1 367.391 0.053 20 5 FCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)c1-c1nn[nH]n1 ZINC001607085516 1288654173 /nfs/dbraw/zinc/65/41/73/1288654173.db2.gz UAOXWPUKRPODPM-SECBINFHSA-N 1 1 367.391 0.053 20 5 FCBDMO O=C(NCCC1CC[NH+](CCCN2CCCC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001698720604 1289533586 /nfs/dbraw/zinc/53/35/86/1289533586.db2.gz AMNUJAGPKTWSDQ-HZPDHXFCSA-N 1 1 366.462 0.882 20 5 FCBDMO CN(C(=O)C[NH+]1CCC(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001698721092 1289533636 /nfs/dbraw/zinc/53/36/36/1289533636.db2.gz ITYVHRWNGRANDR-HUUCEWRRSA-N 1 1 352.435 0.491 20 5 FCBDMO COC(=O)c1nc(Cl)nc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001164667558 719379024 /nfs/dbraw/zinc/37/90/24/719379024.db2.gz KDKGRCGBIPGWAR-YUMQZZPRSA-N 1 1 357.754 0.344 20 5 FCBDMO O=[N+]([O-])c1cc[n+]([O-])c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164738624 720613517 /nfs/dbraw/zinc/61/35/17/720613517.db2.gz CBYLUTBBEIHFIV-ZIAGYGMSSA-N 1 1 358.358 0.360 20 5 FCBDMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)CC[C@@H]2C1 ZINC001164862143 720861843 /nfs/dbraw/zinc/86/18/43/720861843.db2.gz ZCZQRVGTUHTRPA-IUODEOHRSA-N 1 1 351.407 0.746 20 5 FCBDMO COCC[N@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])c(C)n3)CC[C@H]2C1 ZINC001164853348 720885991 /nfs/dbraw/zinc/88/59/91/720885991.db2.gz BZWAQWKVTLBPPH-ZFWWWQNUSA-N 1 1 351.407 0.867 20 5 FCBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc([N+](=O)[O-])cc[n+]4[O-])C[C@H]3C2)cn1 ZINC001164765047 721076800 /nfs/dbraw/zinc/07/68/00/721076800.db2.gz IGLGSNGBQUVQEF-LSDHHAIUSA-N 1 1 358.402 0.920 20 5 FCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(=O)NCC[N@H+](CC2CCCC2)CC1 ZINC001070963216 837704924 /nfs/dbraw/zinc/70/49/24/837704924.db2.gz HHEBIORXPGCJOX-HUUCEWRRSA-N 1 1 352.435 0.492 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(=O)NCC[N@@H+](CC2CCCC2)CC1 ZINC001070963216 837704929 /nfs/dbraw/zinc/70/49/29/837704929.db2.gz HHEBIORXPGCJOX-HUUCEWRRSA-N 1 1 352.435 0.492 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(=O)NCC[N@H+](CC2CCCC2)CC1 ZINC001070963216 837704939 /nfs/dbraw/zinc/70/49/39/837704939.db2.gz HHEBIORXPGCJOX-HUUCEWRRSA-N 1 1 352.435 0.492 20 5 FCBDMO CCC(CC)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001070963330 837706426 /nfs/dbraw/zinc/70/64/26/837706426.db2.gz MIQZEKBZJPFRJP-HUUCEWRRSA-N 1 1 354.451 0.738 20 5 FCBDMO CCC(CC)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001070963330 837706434 /nfs/dbraw/zinc/70/64/34/837706434.db2.gz MIQZEKBZJPFRJP-HUUCEWRRSA-N 1 1 354.451 0.738 20 5 FCBDMO CCC(CC)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001070963330 837706439 /nfs/dbraw/zinc/70/64/39/837706439.db2.gz MIQZEKBZJPFRJP-HUUCEWRRSA-N 1 1 354.451 0.738 20 5 FCBDMO CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001060769254 836672951 /nfs/dbraw/zinc/67/29/51/836672951.db2.gz CVCIWXKTDGJIGI-KBUPBQIOSA-N 1 1 354.451 0.785 20 5 FCBDMO CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060769254 836672954 /nfs/dbraw/zinc/67/29/54/836672954.db2.gz CVCIWXKTDGJIGI-KBUPBQIOSA-N 1 1 354.451 0.785 20 5 FCBDMO CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060769254 836672959 /nfs/dbraw/zinc/67/29/59/836672959.db2.gz CVCIWXKTDGJIGI-KBUPBQIOSA-N 1 1 354.451 0.785 20 5 FCBDMO Cc1csc(=O)n1CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363333 842127521 /nfs/dbraw/zinc/12/75/21/842127521.db2.gz OJWOZYUROHWKNX-FDYHWXHSSA-N 1 1 354.432 0.368 20 5 FCBDMO CCC(CC)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])nn2)C1 ZINC001094290730 843543666 /nfs/dbraw/zinc/54/36/66/843543666.db2.gz HQUVOSLJJWUMPU-HUUCEWRRSA-N 1 1 350.423 0.852 20 5 FCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@@H+](CCO)Cc2ccns2)CC1 ZINC001098365890 843911209 /nfs/dbraw/zinc/91/12/09/843911209.db2.gz RUFHLCSOLGGEHP-ZIAGYGMSSA-N 1 1 354.432 0.594 20 5 FCBDMO CC(C)(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001105235408 844983300 /nfs/dbraw/zinc/98/33/00/844983300.db2.gz DSBCKEHVNDWISC-ZIAGYGMSSA-N 1 1 350.423 0.852 20 5 FCBDMO C[N@@H+](CCNS(C)(=O)=O)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001116717719 846746370 /nfs/dbraw/zinc/74/63/70/846746370.db2.gz FIKOBNLERDLSMC-UHFFFAOYSA-N 1 1 362.383 0.544 20 5 FCBDMO CC(C)CN(CC(F)(F)F)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936469 848713709 /nfs/dbraw/zinc/71/37/09/848713709.db2.gz JOKRZERDQRIDHR-GHMZBOCLSA-N 1 1 368.356 0.404 20 5 FCBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])N(Cc1cccs1)C1CC1 ZINC001126939448 848714895 /nfs/dbraw/zinc/71/48/95/848714895.db2.gz YYKKXYQUFNCVKD-ZIAGYGMSSA-N 1 1 366.443 0.610 20 5 FCBDMO CS(=O)(=O)c1cccc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001157767802 849991665 /nfs/dbraw/zinc/99/16/65/849991665.db2.gz VGHDAONDOFSVCF-ZIAGYGMSSA-N 1 1 355.416 0.351 20 5 FCBDMO CNC(=O)C[NH+]1CCC(Nc2nc(OC)c([N+](=O)[O-])c(OC)n2)CC1 ZINC001161135846 850231290 /nfs/dbraw/zinc/23/12/90/850231290.db2.gz OSXURQYIUQATAW-UHFFFAOYSA-N 1 1 354.367 0.024 20 5 FCBDMO O=c1cc(CNc2ncnc(Cl)c2[N+](=O)[O-])nc2n1CCC[NH2+]C2 ZINC001163111824 850355185 /nfs/dbraw/zinc/35/51/85/850355185.db2.gz VWWQLBSTBKMBFW-UHFFFAOYSA-N 1 1 351.754 0.700 20 5 FCBDMO CN(C)C(=O)COC[C@]12COC[C@H]1C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169020200 850602580 /nfs/dbraw/zinc/60/25/80/850602580.db2.gz KGTCNZBPMLQZPQ-IVSAIRAKSA-N 1 1 355.435 0.485 20 5 FCBDMO O=C([C@H]1COC[C@H]2C[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]21)N1CCCO1 ZINC001169026627 850603560 /nfs/dbraw/zinc/60/35/60/850603560.db2.gz YDMZFWMDRJWSKD-NPJQDHAYSA-N 1 1 353.419 0.790 20 5 FCBDMO CCCN(CCC)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001200462392 853498993 /nfs/dbraw/zinc/49/89/93/853498993.db2.gz ZFRBERLFEOATAH-HUUCEWRRSA-N 1 1 354.451 0.881 20 5 FCBDMO CC(C)(C)CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001200461601 853499008 /nfs/dbraw/zinc/49/90/08/853499008.db2.gz FZSCJXHLZVTEFH-ZIAGYGMSSA-N 1 1 354.451 0.785 20 5 FCBDMO Cc1cc(NC(=O)C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)on1 ZINC001200461488 853499180 /nfs/dbraw/zinc/49/91/80/853499180.db2.gz FDPUOATZNYRJKW-VXGBXAGGSA-N 1 1 351.363 0.167 20 5 FCBDMO O=C(C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NC1CCCCC1 ZINC001200461820 853499223 /nfs/dbraw/zinc/49/92/23/853499223.db2.gz MFSMGIBCLNNQSV-HUUCEWRRSA-N 1 1 352.435 0.681 20 5 FCBDMO CC(C)NC(=O)NCC[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001223114933 856898137 /nfs/dbraw/zinc/89/81/37/856898137.db2.gz XMHZCDVOTMSZPK-ZIAGYGMSSA-N 1 1 355.439 0.187 20 5 FCBDMO COc1ccc(C(=O)NCC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC001303801608 866464880 /nfs/dbraw/zinc/46/48/80/866464880.db2.gz ORRVSTXKNIDRJT-CMPLNLGQSA-N 1 1 350.375 0.542 20 5 FCBDMO COc1ccc(C(=O)NCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC001303801611 866467263 /nfs/dbraw/zinc/46/72/63/866467263.db2.gz ORRVSTXKNIDRJT-ZYHUDNBSSA-N 1 1 350.375 0.542 20 5 FCBDMO CNS(=O)(=O)c1ccc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC001307214512 866649911 /nfs/dbraw/zinc/64/99/11/866649911.db2.gz IDJHGCSDMKWQBQ-NHYWBVRUSA-N 1 1 371.463 0.549 20 5 FCBDMO COC(=O)c1ccc(S(=O)(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC001309515334 866824894 /nfs/dbraw/zinc/82/48/94/866824894.db2.gz GWPQJIAUDNXAFB-YGRLFVJLSA-N 1 1 369.399 0.706 20 5 FCBDMO COCC[N@@H+](C)CCNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001322610122 868882533 /nfs/dbraw/zinc/88/25/33/868882533.db2.gz ZMIVHNSWTZWQOW-UHFFFAOYSA-N 1 1 350.375 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CS(=O)(=O)C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000292092381 214077333 /nfs/dbraw/zinc/07/73/33/214077333.db2.gz DJRCEPFXOBSUEP-OCCSQVGLSA-N 1 1 358.416 0.701 20 5 FCBDMO O=C1NCCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1Cc1ccccc1 ZINC000292859894 214128878 /nfs/dbraw/zinc/12/88/78/214128878.db2.gz CINFBAKZOLEDFO-SJORKVTESA-N 1 1 373.413 0.585 20 5 FCBDMO O=C1NCCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1Cc1ccccc1 ZINC000292859894 214128882 /nfs/dbraw/zinc/12/88/82/214128882.db2.gz CINFBAKZOLEDFO-SJORKVTESA-N 1 1 373.413 0.585 20 5 FCBDMO CC[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H](C)CO ZINC000293292183 214161469 /nfs/dbraw/zinc/16/14/69/214161469.db2.gz DGQJCNKMMPPYPL-AWEZNQCLSA-N 1 1 350.419 0.946 20 5 FCBDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000294570340 214253876 /nfs/dbraw/zinc/25/38/76/214253876.db2.gz NYPHJWLIAGYIJM-OAHLLOKOSA-N 1 1 362.386 0.210 20 5 FCBDMO 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/nfs/dbraw/zinc/68/61/20/489686120.db2.gz ISVAMOGVYCESTF-STQMWFEESA-N 1 1 358.416 0.701 20 5 FCBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000570893430 491271948 /nfs/dbraw/zinc/27/19/48/491271948.db2.gz JPQZJJCQRGPBQD-UHFFFAOYSA-N 1 1 370.431 0.723 20 5 FCBDMO CCNC(=O)C(C)(C)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000459564781 489739508 /nfs/dbraw/zinc/73/95/08/489739508.db2.gz SXSZQNMSKADDCB-UHFFFAOYSA-N 1 1 352.347 0.766 20 5 FCBDMO COC(=O)c1cccc2c1CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000459549396 489739575 /nfs/dbraw/zinc/73/95/75/489739575.db2.gz RHNKRCUPTMQJEC-CQSZACIVSA-N 1 1 360.370 0.997 20 5 FCBDMO COC(=O)c1cccc2c1CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000459549396 489739579 /nfs/dbraw/zinc/73/95/79/489739579.db2.gz RHNKRCUPTMQJEC-CQSZACIVSA-N 1 1 360.370 0.997 20 5 FCBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000376664550 489772194 /nfs/dbraw/zinc/77/21/94/489772194.db2.gz 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O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N[C@@H]1CC[N@H+](C3CC3)C1)OCCO2 ZINC000533175309 490189892 /nfs/dbraw/zinc/18/98/92/490189892.db2.gz PBMCTCJUDXACPU-SNVBAGLBSA-N 1 1 369.399 0.881 20 5 FCBDMO CNC(=O)N[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000466943222 490230391 /nfs/dbraw/zinc/23/03/91/490230391.db2.gz ODRPCWZISJDZQC-LLVKDONJSA-N 1 1 365.390 0.935 20 5 FCBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000422343397 490269345 /nfs/dbraw/zinc/26/93/45/490269345.db2.gz SRFDVJYTMLHTBJ-GFCCVEGCSA-N 1 1 374.401 0.640 20 5 FCBDMO C[C@@H](O)C[NH+]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447804866 490279399 /nfs/dbraw/zinc/27/93/99/490279399.db2.gz GZKIKFCTEFLDHJ-OAHLLOKOSA-N 1 1 364.446 0.930 20 5 FCBDMO COC(=O)c1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC000521921668 490312243 /nfs/dbraw/zinc/31/22/43/490312243.db2.gz HQHLMYLKBOKQDT-CQSZACIVSA-N 1 1 350.375 0.357 20 5 FCBDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000509457498 490430120 /nfs/dbraw/zinc/43/01/20/490430120.db2.gz JOYMNXKRHRIVNI-UHFFFAOYSA-N 1 1 351.407 0.654 20 5 FCBDMO CC[NH+]1CCN(CCCCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000509918727 490475787 /nfs/dbraw/zinc/47/57/87/490475787.db2.gz UMHWUPSWIDXRNX-UHFFFAOYSA-N 1 1 365.434 0.290 20 5 FCBDMO C[C@H]1CC[NH2+]CC[C@@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422948365 490504940 /nfs/dbraw/zinc/50/49/40/490504940.db2.gz RWTXGIMRHYLPMR-WFASDCNBSA-N 1 1 356.448 0.851 20 5 FCBDMO CC(C)[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000548714102 490533559 /nfs/dbraw/zinc/53/35/59/490533559.db2.gz LKSSDFZTOVTWQC-ZDUSSCGKSA-N 1 1 350.423 0.574 20 5 FCBDMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000548738745 490537418 /nfs/dbraw/zinc/53/74/18/490537418.db2.gz HIFHCTWWICTQQL-UHFFFAOYSA-N 1 1 360.378 0.050 20 5 FCBDMO Cc1c(NC(=O)CC[NH+]2CCN(C(=O)CO)CC2)cccc1[N+](=O)[O-] ZINC000536264498 490564647 /nfs/dbraw/zinc/56/46/47/490564647.db2.gz OOCLAIXDSNYYGV-UHFFFAOYSA-N 1 1 350.375 0.368 20 5 FCBDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000485979859 490577535 /nfs/dbraw/zinc/57/75/35/490577535.db2.gz PJGWRZBJHWYMJK-SMDDNHRTSA-N 1 1 370.431 0.187 20 5 FCBDMO NC(=O)c1ccc(CN2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c([N+](=O)[O-])c1 ZINC000486456697 490631610 /nfs/dbraw/zinc/63/16/10/490631610.db2.gz DCIVURDVTUGQRO-CQSZACIVSA-N 1 1 361.402 0.090 20 5 FCBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000512132995 490661355 /nfs/dbraw/zinc/66/13/55/490661355.db2.gz WVAWUUDQQBFMCZ-WDEREUQCSA-N 1 1 360.370 0.742 20 5 FCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@H]1C ZINC000538683210 490744005 /nfs/dbraw/zinc/74/40/05/490744005.db2.gz CVRXOKIZTCBGCJ-LLVKDONJSA-N 1 1 353.379 0.196 20 5 FCBDMO COC(=O)CC[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@H]1C ZINC000538683210 490744007 /nfs/dbraw/zinc/74/40/07/490744007.db2.gz CVRXOKIZTCBGCJ-LLVKDONJSA-N 1 1 353.379 0.196 20 5 FCBDMO C[NH+](C)CC(=O)Nc1ccc(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000515054847 490805880 /nfs/dbraw/zinc/80/58/80/490805880.db2.gz JSQOELXJTWXODE-HNNXBMFYSA-N 1 1 362.390 0.764 20 5 FCBDMO Cc1nn(C)c(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000540821319 490836665 /nfs/dbraw/zinc/83/66/65/490836665.db2.gz ULRRGTVLBNWYHR-CYBMUJFWSA-N 1 1 352.439 0.639 20 5 FCBDMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000517403913 490907904 /nfs/dbraw/zinc/90/79/04/490907904.db2.gz FTJXQPMLBKYHQE-SNVBAGLBSA-N 1 1 358.354 0.544 20 5 FCBDMO Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000517412646 490908096 /nfs/dbraw/zinc/90/80/96/490908096.db2.gz DQKAQIANFZGNLN-GFCCVEGCSA-N 1 1 370.431 0.521 20 5 FCBDMO Cc1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000517412646 490908098 /nfs/dbraw/zinc/90/80/98/490908098.db2.gz DQKAQIANFZGNLN-GFCCVEGCSA-N 1 1 370.431 0.521 20 5 FCBDMO C[C@H]1C[N@H+](C)CCN1C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000518791432 490951961 /nfs/dbraw/zinc/95/19/61/490951961.db2.gz RZVQNAJRSRZGFN-JTQLQIEISA-N 1 1 352.416 0.948 20 5 FCBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000518791432 490951962 /nfs/dbraw/zinc/95/19/62/490951962.db2.gz RZVQNAJRSRZGFN-JTQLQIEISA-N 1 1 352.416 0.948 20 5 FCBDMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)c1c[nH]nc1[N+](=O)[O-] ZINC000558764651 491445256 /nfs/dbraw/zinc/44/52/56/491445256.db2.gz NVRAQRVPFBVHNR-DZGCQCFKSA-N 1 1 359.386 0.931 20 5 FCBDMO CC(C)[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCN(C)CC1 ZINC000574444906 491497376 /nfs/dbraw/zinc/49/73/76/491497376.db2.gz HJZGNPCDQANHLG-JKSUJKDBSA-N 1 1 354.455 0.014 20 5 FCBDMO CC[NH+]1CCN(C(=O)CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000577248984 491606573 /nfs/dbraw/zinc/60/65/73/491606573.db2.gz VPDCQCKQNFICAG-UHFFFAOYSA-N 1 1 373.413 0.899 20 5 FCBDMO CC[NH+]1CCN(C(=O)CNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000576419314 491613053 /nfs/dbraw/zinc/61/30/53/491613053.db2.gz MXIGGOMNYPLWQG-UHFFFAOYSA-N 1 1 363.418 0.677 20 5 FCBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000561615774 491620945 /nfs/dbraw/zinc/62/09/45/491620945.db2.gz RURKIBMULOKPFL-NSHDSACASA-N 1 1 360.370 0.743 20 5 FCBDMO Nc1nccc(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000578081240 491669556 /nfs/dbraw/zinc/66/95/56/491669556.db2.gz PSNZROXRJMSWIX-UONOGXRCSA-N 1 1 371.397 0.937 20 5 FCBDMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000578481331 491678162 /nfs/dbraw/zinc/67/81/62/491678162.db2.gz BRZOZIHIXZQGDF-OAHLLOKOSA-N 1 1 352.435 0.656 20 5 FCBDMO COc1cc(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])cc1OC ZINC000588863004 491750836 /nfs/dbraw/zinc/75/08/36/491750836.db2.gz NSMHWKXMOYORGY-VXGBXAGGSA-N 1 1 365.386 0.893 20 5 FCBDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])CC1=O ZINC000588882238 491751066 /nfs/dbraw/zinc/75/10/66/491751066.db2.gz NSIGPEYLLQFKMS-CYBMUJFWSA-N 1 1 364.402 0.504 20 5 FCBDMO CNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000581082469 491758942 /nfs/dbraw/zinc/75/89/42/491758942.db2.gz MKYTWCCAEASBHV-UHFFFAOYSA-N 1 1 351.407 1.399 20 5 FCBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000589408077 491761271 /nfs/dbraw/zinc/76/12/71/491761271.db2.gz FFBCWKPVHLEBPN-IAQYHMDHSA-N 1 1 364.402 0.931 20 5 FCBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000589408077 491761273 /nfs/dbraw/zinc/76/12/73/491761273.db2.gz FFBCWKPVHLEBPN-IAQYHMDHSA-N 1 1 364.402 0.931 20 5 FCBDMO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000590550219 491778559 /nfs/dbraw/zinc/77/85/59/491778559.db2.gz OBGSFRBHJQVTIF-RYUDHWBXSA-N 1 1 363.370 0.647 20 5 FCBDMO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000590550214 491778665 /nfs/dbraw/zinc/77/86/65/491778665.db2.gz OBGSFRBHJQVTIF-NEPJUHHUSA-N 1 1 363.370 0.647 20 5 FCBDMO C[NH+]1CCN(CC2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2)CC1 ZINC000590563033 491779478 /nfs/dbraw/zinc/77/94/78/491779478.db2.gz OSVCHKBNNRAMFW-UHFFFAOYSA-N 1 1 351.382 0.636 20 5 FCBDMO CN(CC(=O)N1CC(CN2CC[NH+](C)CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000590562365 491779622 /nfs/dbraw/zinc/77/96/22/491779622.db2.gz JPHLMNYXKCULFR-UHFFFAOYSA-N 1 1 361.446 0.737 20 5 FCBDMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000590774476 491786228 /nfs/dbraw/zinc/78/62/28/491786228.db2.gz FJLQKYYPCQUJQL-LLVKDONJSA-N 1 1 351.359 0.900 20 5 FCBDMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000582227489 491803058 /nfs/dbraw/zinc/80/30/58/491803058.db2.gz IYVNJHXKCYEABC-ZDUSSCGKSA-N 1 1 360.414 0.890 20 5 FCBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000582406109 491811168 /nfs/dbraw/zinc/81/11/68/491811168.db2.gz HSFXQCNGKUBZQJ-GJZGRUSLSA-N 1 1 366.418 0.668 20 5 FCBDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000592388466 491836426 /nfs/dbraw/zinc/83/64/26/491836426.db2.gz IZQJPQNMVHHBIG-ZDUSSCGKSA-N 1 1 371.415 0.737 20 5 FCBDMO O=C(C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000583079365 491837530 /nfs/dbraw/zinc/83/75/30/491837530.db2.gz QSKHUVQQTGHGHB-UHFFFAOYSA-N 1 1 355.416 0.971 20 5 FCBDMO CC(C)Oc1nc(NCCC[N@H+]2CCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000583509984 491846586 /nfs/dbraw/zinc/84/65/86/491846586.db2.gz DCLONKGJTLAIFW-LBPRGKRZSA-N 1 1 351.407 1.529 20 5 FCBDMO CC[N@H+]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000584070549 491857989 /nfs/dbraw/zinc/85/79/89/491857989.db2.gz NCFZXKYOJIXIGL-CYBMUJFWSA-N 1 1 363.418 0.947 20 5 FCBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000594842977 491865257 /nfs/dbraw/zinc/86/52/57/491865257.db2.gz LAHMKDZBHHXMMR-UHFFFAOYSA-N 1 1 372.447 0.544 20 5 FCBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000600807717 491883847 /nfs/dbraw/zinc/88/38/47/491883847.db2.gz KLHRDNDSNVHINZ-HNNXBMFYSA-N 1 1 362.430 0.994 20 5 FCBDMO Cc1c(C(=O)NCC[N@H+]2CC[C@H](O)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000600810376 491884343 /nfs/dbraw/zinc/88/43/43/491884343.db2.gz YMAIKRJBKMEPEW-AWEZNQCLSA-N 1 1 360.374 0.280 20 5 FCBDMO CS(=O)(=O)N[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000612065570 491896719 /nfs/dbraw/zinc/89/67/19/491896719.db2.gz BRCFRSQTYIYKRJ-STQMWFEESA-N 1 1 373.431 0.348 20 5 FCBDMO CS(=O)(=O)N[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000612065570 491896721 /nfs/dbraw/zinc/89/67/21/491896721.db2.gz BRCFRSQTYIYKRJ-STQMWFEESA-N 1 1 373.431 0.348 20 5 FCBDMO C[NH+](C)C1(CS(=O)(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000601433626 491918684 /nfs/dbraw/zinc/91/86/84/491918684.db2.gz GJRPSLSATNPRRV-UHFFFAOYSA-N 1 1 369.447 0.536 20 5 FCBDMO C[N@H+]1CCCN(CCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000603398679 492030602 /nfs/dbraw/zinc/03/06/02/492030602.db2.gz CHHKJWOKSJIPJL-UHFFFAOYSA-N 1 1 356.448 0.901 20 5 FCBDMO CC1(C)CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000614829106 492058493 /nfs/dbraw/zinc/05/84/93/492058493.db2.gz HZVFFAYVDWISLB-UHFFFAOYSA-N 1 1 358.420 0.135 20 5 FCBDMO CC1(C)CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC[N@H+]1CCO ZINC000614829106 492058495 /nfs/dbraw/zinc/05/84/95/492058495.db2.gz HZVFFAYVDWISLB-UHFFFAOYSA-N 1 1 358.420 0.135 20 5 FCBDMO COC(=O)c1cc(C(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000614895221 492062936 /nfs/dbraw/zinc/06/29/36/492062936.db2.gz HNWJOHWHYJIRME-UHFFFAOYSA-N 1 1 365.386 0.910 20 5 FCBDMO COC(=O)c1cc(C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000614895221 492062939 /nfs/dbraw/zinc/06/29/39/492062939.db2.gz HNWJOHWHYJIRME-UHFFFAOYSA-N 1 1 365.386 0.910 20 5 FCBDMO CC1(C)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000614920925 492064285 /nfs/dbraw/zinc/06/42/85/492064285.db2.gz YYDHOXQLGRXWMW-AWEZNQCLSA-N 1 1 353.419 0.723 20 5 FCBDMO CC1(C)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1CCO ZINC000614920925 492064288 /nfs/dbraw/zinc/06/42/88/492064288.db2.gz YYDHOXQLGRXWMW-AWEZNQCLSA-N 1 1 353.419 0.723 20 5 FCBDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1CCO ZINC000614920925 492064290 /nfs/dbraw/zinc/06/42/90/492064290.db2.gz YYDHOXQLGRXWMW-AWEZNQCLSA-N 1 1 353.419 0.723 20 5 FCBDMO CC(C)(O)C[NH+]1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598593124 492106184 /nfs/dbraw/zinc/10/61/84/492106184.db2.gz QMGYZJIGDRANAC-UHFFFAOYSA-N 1 1 366.422 0.114 20 5 FCBDMO CN(C)CC[N@@H+](C)CCCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598626930 492110087 /nfs/dbraw/zinc/11/00/87/492110087.db2.gz LKONVVXPOFEHSX-UHFFFAOYSA-N 1 1 367.454 0.517 20 5 FCBDMO CN(CCCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])CC[NH+](C)C ZINC000598626930 492110088 /nfs/dbraw/zinc/11/00/88/492110088.db2.gz LKONVVXPOFEHSX-UHFFFAOYSA-N 1 1 367.454 0.517 20 5 FCBDMO COCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598896910 492120789 /nfs/dbraw/zinc/12/07/89/492120789.db2.gz RLVGYIADIIIRBD-CYBMUJFWSA-N 1 1 365.390 0.553 20 5 FCBDMO CCOC(=O)c1ccnc(N2CC(CN3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000599109609 492136460 /nfs/dbraw/zinc/13/64/60/492136460.db2.gz VJOBQURCPPIDKS-UHFFFAOYSA-N 1 1 363.418 0.850 20 5 FCBDMO O=C(c1ccc(NCC[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000599201673 492141753 /nfs/dbraw/zinc/14/17/53/492141753.db2.gz IMWNMUFZADIPGO-AWEZNQCLSA-N 1 1 364.402 0.546 20 5 FCBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000608811162 492193634 /nfs/dbraw/zinc/19/36/34/492193634.db2.gz CLBUKBCRFRBDDW-CQSZACIVSA-N 1 1 353.423 0.999 20 5 FCBDMO CC(=O)NCC(=O)N1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000599619929 492194019 /nfs/dbraw/zinc/19/40/19/492194019.db2.gz XWNGVFDQGSNXQB-UHFFFAOYSA-N 1 1 364.402 0.644 20 5 FCBDMO CC(=O)NCC(=O)N1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000599619929 492194020 /nfs/dbraw/zinc/19/40/20/492194020.db2.gz XWNGVFDQGSNXQB-UHFFFAOYSA-N 1 1 364.402 0.644 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000608861373 492194662 /nfs/dbraw/zinc/19/46/62/492194662.db2.gz QIRQNEIDEVVOND-ZDUSSCGKSA-N 1 1 363.374 0.250 20 5 FCBDMO Cc1[nH]nc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000608861442 492194778 /nfs/dbraw/zinc/19/47/78/492194778.db2.gz WQOOEQPHYZCTGB-NSHDSACASA-N 1 1 350.379 0.181 20 5 FCBDMO Cc1n[nH]c(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000608861442 492194781 /nfs/dbraw/zinc/19/47/81/492194781.db2.gz WQOOEQPHYZCTGB-NSHDSACASA-N 1 1 350.379 0.181 20 5 FCBDMO Cc1n[nH]c(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000608861442 492194783 /nfs/dbraw/zinc/19/47/83/492194783.db2.gz WQOOEQPHYZCTGB-NSHDSACASA-N 1 1 350.379 0.181 20 5 FCBDMO C[C@]1(CO)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000599623164 492194791 /nfs/dbraw/zinc/19/47/91/492194791.db2.gz HEIZGCFHJCGQCG-XYPHTWIQSA-N 1 1 354.403 0.647 20 5 FCBDMO COC(=O)[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000599683718 492199579 /nfs/dbraw/zinc/19/95/79/492199579.db2.gz XLHFGRPZOBGCMX-HOCLYGCPSA-N 1 1 360.370 0.925 20 5 FCBDMO C[N@H+]1CC[C@@H](C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000609200559 492200316 /nfs/dbraw/zinc/20/03/16/492200316.db2.gz MNSPDTPUYHJWGJ-LLVKDONJSA-N 1 1 370.431 0.478 20 5 FCBDMO COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000609279288 492203256 /nfs/dbraw/zinc/20/32/56/492203256.db2.gz ZNIACFLUDFSXMV-GFCCVEGCSA-N 1 1 373.431 0.993 20 5 FCBDMO COCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000609279288 492203258 /nfs/dbraw/zinc/20/32/58/492203258.db2.gz ZNIACFLUDFSXMV-GFCCVEGCSA-N 1 1 373.431 0.993 20 5 FCBDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000609387964 492207655 /nfs/dbraw/zinc/20/76/55/492207655.db2.gz UAXPIJVLJQJYLR-NSHDSACASA-N 1 1 371.415 0.986 20 5 FCBDMO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000609709169 492219970 /nfs/dbraw/zinc/21/99/70/492219970.db2.gz RFNCWSGQDXGIEX-GJZGRUSLSA-N 1 1 355.416 0.182 20 5 FCBDMO CNS(=O)(=O)c1ccc(N2CC[NH+](C(C)(C)CO)CC2)c([N+](=O)[O-])c1 ZINC000609839831 492223977 /nfs/dbraw/zinc/22/39/77/492223977.db2.gz YSWGMSQLHIDHBP-UHFFFAOYSA-N 1 1 372.447 0.396 20 5 FCBDMO COC(=O)c1cc(NC(=O)[C@H](C)N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000609884992 492226227 /nfs/dbraw/zinc/22/62/27/492226227.db2.gz MGFXTGAZGRWXLY-NSHDSACASA-N 1 1 350.375 0.956 20 5 FCBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600070177 492241170 /nfs/dbraw/zinc/24/11/70/492241170.db2.gz FYWOHXMBPZMEKL-CYBMUJFWSA-N 1 1 350.375 0.279 20 5 FCBDMO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000610276228 492241222 /nfs/dbraw/zinc/24/12/22/492241222.db2.gz DTDWNFQUUDLVQR-RISCZKNCSA-N 1 1 370.431 0.278 20 5 FCBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000600070711 492241806 /nfs/dbraw/zinc/24/18/06/492241806.db2.gz PLYIAPMYNXDCGO-SNVBAGLBSA-N 1 1 356.766 0.370 20 5 FCBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000618875888 492241977 /nfs/dbraw/zinc/24/19/77/492241977.db2.gz ABRMHWYXHANGLE-XQQFMLRXSA-N 1 1 350.423 0.847 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1 ZINC000610367544 492243403 /nfs/dbraw/zinc/24/34/03/492243403.db2.gz UJWLWPZDPSMLPY-JKSUJKDBSA-N 1 1 353.423 0.339 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCN(C[C@H]3CCCO3)CC2)c1 ZINC000610367544 492243404 /nfs/dbraw/zinc/24/34/04/492243404.db2.gz UJWLWPZDPSMLPY-JKSUJKDBSA-N 1 1 353.423 0.339 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCN(C[C@H]3CCCO3)CC2)c1 ZINC000610367544 492243405 /nfs/dbraw/zinc/24/34/05/492243405.db2.gz UJWLWPZDPSMLPY-JKSUJKDBSA-N 1 1 353.423 0.339 20 5 FCBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000600097030 492244416 /nfs/dbraw/zinc/24/44/16/492244416.db2.gz DLTCRPOVACQQRX-LBPRGKRZSA-N 1 1 366.374 0.115 20 5 FCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000610901024 492267841 /nfs/dbraw/zinc/26/78/41/492267841.db2.gz WTJIGCYVJMNIQW-SLEUVZQESA-N 1 1 364.402 0.548 20 5 FCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000610901024 492267842 /nfs/dbraw/zinc/26/78/42/492267842.db2.gz WTJIGCYVJMNIQW-SLEUVZQESA-N 1 1 364.402 0.548 20 5 FCBDMO CC[N@H+]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000611088166 492277688 /nfs/dbraw/zinc/27/76/88/492277688.db2.gz HPFVYAMRBIIOLZ-LBPRGKRZSA-N 1 1 362.386 0.873 20 5 FCBDMO CN(C)S(=O)(=O)c1ccc(NCC[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599175642 546515294 /nfs/dbraw/zinc/51/52/94/546515294.db2.gz FZTAGMMTSDHNBM-LLVKDONJSA-N 1 1 358.420 0.324 20 5 FCBDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000592202572 546946193 /nfs/dbraw/zinc/94/61/93/546946193.db2.gz FWPMEEFNQSCUBI-NWDGAFQWSA-N 1 1 351.359 0.779 20 5 FCBDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000592387966 546949406 /nfs/dbraw/zinc/94/94/06/546949406.db2.gz DGDKXLZHTRIKPD-ZDUSSCGKSA-N 1 1 371.415 0.737 20 5 FCBDMO CCc1ccc(S(=O)(=O)N2CCC[NH2+]C[C@H]2C(=O)OC)cc1[N+](=O)[O-] ZINC000592388406 546949410 /nfs/dbraw/zinc/94/94/10/546949410.db2.gz JMVBTJMYJADOKR-AWEZNQCLSA-N 1 1 371.415 0.683 20 5 FCBDMO CN(C(=O)C1CC[NH+](C)CC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000954052033 674489315 /nfs/dbraw/zinc/48/93/15/674489315.db2.gz WLXDJNQOPAVBMY-HUUCEWRRSA-N 1 1 352.435 0.443 20 5 FCBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1[NH+]1CCOCC1 ZINC000820775881 606226947 /nfs/dbraw/zinc/22/69/47/606226947.db2.gz JQTQNJNMMDIYSK-IAQYHMDHSA-N 1 1 359.390 0.932 20 5 FCBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1ncc([N+](=O)[O-])cc1Br ZINC000894959168 664994348 /nfs/dbraw/zinc/99/43/48/664994348.db2.gz VBZHNFCLLMZLED-UHFFFAOYSA-N 1 1 372.223 0.963 20 5 FCBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000732060334 666854494 /nfs/dbraw/zinc/85/44/94/666854494.db2.gz FMOZWFJHHQAQRC-NSHDSACASA-N 1 1 351.359 0.863 20 5 FCBDMO C[C@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000919999391 667217236 /nfs/dbraw/zinc/21/72/36/667217236.db2.gz IMHSSJFCDPEXKY-XJKSGUPXSA-N 1 1 370.475 0.691 20 5 FCBDMO C[C@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000919999391 667217239 /nfs/dbraw/zinc/21/72/39/667217239.db2.gz IMHSSJFCDPEXKY-XJKSGUPXSA-N 1 1 370.475 0.691 20 5 FCBDMO CCCn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001034644048 667761996 /nfs/dbraw/zinc/76/19/96/667761996.db2.gz ZTNSXAHJFHNSIT-AAVRWANBSA-N 1 1 350.423 0.870 20 5 FCBDMO CCn1nc(C)c(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001034645324 667762044 /nfs/dbraw/zinc/76/20/44/667762044.db2.gz SLYJEZDLFOEDOC-RGCMKSIDSA-N 1 1 350.423 0.789 20 5 FCBDMO CCc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1C ZINC001034642830 667762129 /nfs/dbraw/zinc/76/21/29/667762129.db2.gz GKVQVQAPPMTLBE-FDYHWXHSSA-N 1 1 350.423 0.560 20 5 FCBDMO O=C(NCCO)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774834825 668176561 /nfs/dbraw/zinc/17/65/61/668176561.db2.gz JEOIANWHJSVHPL-UHFFFAOYSA-N 1 1 352.347 0.824 20 5 FCBDMO C[C@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000771760628 668270772 /nfs/dbraw/zinc/27/07/72/668270772.db2.gz SGCJOPULVIBSBL-NHYWBVRUSA-N 1 1 351.359 0.621 20 5 FCBDMO C[C@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000771760628 668270775 /nfs/dbraw/zinc/27/07/75/668270775.db2.gz SGCJOPULVIBSBL-NHYWBVRUSA-N 1 1 351.359 0.621 20 5 FCBDMO NS(=O)(=O)c1cc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc([N+](=O)[O-])c1 ZINC000785801204 668732362 /nfs/dbraw/zinc/73/23/62/668732362.db2.gz QCQMAPNXRUGXFT-AAEUAGOBSA-N 1 1 356.404 0.517 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819005246 668969850 /nfs/dbraw/zinc/96/98/50/668969850.db2.gz ZLNBJPPOOQTGOX-GDBMZVCRSA-N 1 1 350.419 0.805 20 5 FCBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000795085298 669010504 /nfs/dbraw/zinc/01/05/04/669010504.db2.gz ICXQEHMFLSBSCO-VXGBXAGGSA-N 1 1 371.415 0.745 20 5 FCBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000795085298 669010509 /nfs/dbraw/zinc/01/05/09/669010509.db2.gz ICXQEHMFLSBSCO-VXGBXAGGSA-N 1 1 371.415 0.745 20 5 FCBDMO COCC[N@@H+]1[C@H](C)CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C[C@@H]1C ZINC000826628669 669505106 /nfs/dbraw/zinc/50/51/06/669505106.db2.gz DEFVPCLKKJYGFH-TXEJJXNPSA-N 1 1 372.447 0.788 20 5 FCBDMO COC(=O)Nc1ccc(S(=O)(=O)N2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000842717738 670720122 /nfs/dbraw/zinc/72/01/22/670720122.db2.gz ODRXHEAPCFBCKL-SECBINFHSA-N 1 1 358.376 0.756 20 5 FCBDMO COC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000842769435 670729027 /nfs/dbraw/zinc/72/90/27/670729027.db2.gz OCUBARUQBQFOKJ-UHFFFAOYSA-N 1 1 368.318 0.645 20 5 FCBDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000842858360 670745362 /nfs/dbraw/zinc/74/53/62/670745362.db2.gz AMGBGSNBWVJGGF-LBPRGKRZSA-N 1 1 373.387 0.129 20 5 FCBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCC(=O)O1 ZINC000852184074 671493541 /nfs/dbraw/zinc/49/35/41/671493541.db2.gz FKNCQWFEOOZXKX-GFCCVEGCSA-N 1 1 357.388 0.511 20 5 FCBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCC(=O)O1 ZINC000852184074 671493542 /nfs/dbraw/zinc/49/35/42/671493542.db2.gz FKNCQWFEOOZXKX-GFCCVEGCSA-N 1 1 357.388 0.511 20 5 FCBDMO NC(=O)C1([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC000852492935 671510463 /nfs/dbraw/zinc/51/04/63/671510463.db2.gz AVWVHWQBXWBWFL-UHFFFAOYSA-N 1 1 356.766 0.811 20 5 FCBDMO CC/C(C)=C\C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055571612 676024498 /nfs/dbraw/zinc/02/44/98/676024498.db2.gz IBQFNRXCIPOHME-QELFOPCUSA-N 1 1 352.435 0.705 20 5 FCBDMO CC(C)CCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575226 676025123 /nfs/dbraw/zinc/02/51/23/676025123.db2.gz OTBGPGSCBRIIAU-HUUCEWRRSA-N 1 1 354.451 0.785 20 5 FCBDMO C[N@H+]1CC[C@@H]1CNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000925404183 673790743 /nfs/dbraw/zinc/79/07/43/673790743.db2.gz QZYBMSLXRGCJIL-LLVKDONJSA-N 1 1 367.431 0.828 20 5 FCBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000800622300 675683248 /nfs/dbraw/zinc/68/32/48/675683248.db2.gz JWYUFVVCUFKONJ-OAHLLOKOSA-N 1 1 354.338 0.164 20 5 FCBDMO O=C(N[C@@H]1[C@H]2CN(Cc3cn(-c4ccccc4)nn3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025777428 1182823626 /nfs/dbraw/zinc/82/36/26/1182823626.db2.gz MGWRNIPWRGIXJT-UUAJXVIYSA-N 1 1 368.397 0.479 20 5 FCBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000828195412 1183278045 /nfs/dbraw/zinc/27/80/45/1183278045.db2.gz DITZQVUFFVRXLR-JKSUJKDBSA-N 1 1 360.414 0.931 20 5 FCBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2nncn2-c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983653803 1188248194 /nfs/dbraw/zinc/24/81/94/1188248194.db2.gz LGXXLKCOAAUARN-RRCSTGOVSA-N 1 1 370.413 0.917 20 5 FCBDMO C[C@@H]1CN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C[C@H](C)[N@@H+]1CCO ZINC000840133374 1189844681 /nfs/dbraw/zinc/84/46/81/1189844681.db2.gz GMFPHTCQRVENNF-TXEJJXNPSA-N 1 1 362.386 0.535 20 5 FCBDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000896242033 1190020166 /nfs/dbraw/zinc/02/01/66/1190020166.db2.gz NBSMVDFCSOFTDO-UHFFFAOYSA-N 1 1 361.402 0.720 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+](C)C1 ZINC000840504843 1190034655 /nfs/dbraw/zinc/03/46/55/1190034655.db2.gz SRRLXIKYMNWQLJ-LLVKDONJSA-N 1 1 369.349 0.676 20 5 FCBDMO CCc1nnc(CN(C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1C ZINC001029964604 1191036289 /nfs/dbraw/zinc/03/62/89/1191036289.db2.gz QQFRVOUARALTOH-ZIAGYGMSSA-N 1 1 364.450 0.713 20 5 FCBDMO CN(Cc1nc(N(C)C)no1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964548 1191037789 /nfs/dbraw/zinc/03/77/89/1191037789.db2.gz OGSXCFSUBXPWOD-CHWSQXEVSA-N 1 1 366.422 0.471 20 5 FCBDMO CC(C)CNC(=O)c1cccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001126938678 1194623553 /nfs/dbraw/zinc/62/35/53/1194623553.db2.gz GGVCASKRXSWIAX-HZPDHXFCSA-N 1 1 362.430 0.943 20 5 FCBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000592382857 1196561302 /nfs/dbraw/zinc/56/13/02/1196561302.db2.gz STPZZOSRYXGLIB-UHFFFAOYSA-N 1 1 364.358 0.170 20 5 FCBDMO CC(C)(C)n1nnc(CC[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001086363282 1198327222 /nfs/dbraw/zinc/32/72/22/1198327222.db2.gz LSNSIMHRGYNGKA-FDYHWXHSSA-N 1 1 365.438 0.120 20 5 FCBDMO CNC(=O)CN1CCOC[C@]2(CCC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169018173 1199042884 /nfs/dbraw/zinc/04/28/84/1199042884.db2.gz CAOOPAVDIAYIIX-LZLYRXPVSA-N 1 1 368.478 0.592 20 5 FCBDMO O=C(Cn1cnc([N+](=O)[O-])n1)OCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000817179780 1203097618 /nfs/dbraw/zinc/09/76/18/1203097618.db2.gz RVRJODXECLLKCO-UHFFFAOYSA-N 1 1 361.358 0.762 20 5 FCBDMO NC(=O)[C@](O)(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000851844050 1209521719 /nfs/dbraw/zinc/52/17/19/1209521719.db2.gz QENNTCZYHUPHGA-KDOFPFPSSA-N 1 1 371.397 0.849 20 5 FCBDMO NC(=O)[C@@](O)(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000851844049 1209521896 /nfs/dbraw/zinc/52/18/96/1209521896.db2.gz QENNTCZYHUPHGA-KBXCAEBGSA-N 1 1 371.397 0.849 20 5 FCBDMO COC(=O)c1cc(C(=O)NC2CC[NH+](CC(N)=O)CC2)cc([N+](=O)[O-])c1 ZINC000880179787 1210520416 /nfs/dbraw/zinc/52/04/16/1210520416.db2.gz QDJQFILSNBVREK-UHFFFAOYSA-N 1 1 364.358 0.061 20 5 FCBDMO O=C(C[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000886578367 1210832529 /nfs/dbraw/zinc/83/25/29/1210832529.db2.gz SXICAOIUNOIPHF-FHLIZLRMSA-N 1 1 374.441 0.946 20 5 FCBDMO C[C@H](O)C[NH+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000779189998 1212210425 /nfs/dbraw/zinc/21/04/25/1212210425.db2.gz VRZKCOXEUDLMKV-LBPRGKRZSA-N 1 1 366.374 0.961 20 5 FCBDMO C[NH+]1CCC(CC(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000969003751 1212221720 /nfs/dbraw/zinc/22/17/20/1212221720.db2.gz RDWJSEMTDKRAIW-QKPAOTATSA-N 1 1 364.446 0.585 20 5 FCBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000953927149 1213024961 /nfs/dbraw/zinc/02/49/61/1213024961.db2.gz SMIIGZQOCNSIIF-HUUCEWRRSA-N 1 1 364.446 0.729 20 5 FCBDMO CCn1nnc(C)c1C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000963786367 1214850613 /nfs/dbraw/zinc/85/06/13/1214850613.db2.gz CJCUAGSIJWZNEC-FZOOGMQUSA-N 1 1 362.434 0.789 20 5 FCBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967947602 1215265751 /nfs/dbraw/zinc/26/57/51/1215265751.db2.gz YIIQBUPVXCEPRC-HUUCEWRRSA-N 1 1 357.370 0.672 20 5 FCBDMO C=C/C(C)=C\CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055617808 1215891226 /nfs/dbraw/zinc/89/12/26/1215891226.db2.gz QOYNJKRJDMNIGA-ZNVHKUPMSA-N 1 1 364.446 0.871 20 5 FCBDMO COc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC001050325582 1216307666 /nfs/dbraw/zinc/30/76/66/1216307666.db2.gz IJRGWEMOMUDQQX-QHSBEEBCSA-N 1 1 363.418 0.915 20 5 FCBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1CCNC1=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525598 1218279390 /nfs/dbraw/zinc/27/93/90/1218279390.db2.gz ZLFSBVRHJADRRK-XLWJZTARSA-N 1 1 365.434 0.036 20 5 FCBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1CCNC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001048525598 1218279393 /nfs/dbraw/zinc/27/93/93/1218279393.db2.gz ZLFSBVRHJADRRK-XLWJZTARSA-N 1 1 365.434 0.036 20 5 FCBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1CCNC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001048525598 1218279396 /nfs/dbraw/zinc/27/93/96/1218279396.db2.gz ZLFSBVRHJADRRK-XLWJZTARSA-N 1 1 365.434 0.036 20 5 FCBDMO CC[NH+](CC)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001053809409 1218892443 /nfs/dbraw/zinc/89/24/43/1218892443.db2.gz GTSLWGQHDVADKA-YIDVYQOGSA-N 1 1 366.462 0.879 20 5 FCBDMO CCOCCCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055528965 1219068523 /nfs/dbraw/zinc/06/85/23/1219068523.db2.gz LENUSKCEKUXVBD-HUUCEWRRSA-N 1 1 370.450 0.165 20 5 FCBDMO CC1CC[NH+](CC(=O)NC2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001073015781 1219632457 /nfs/dbraw/zinc/63/24/57/1219632457.db2.gz TYECNPBIUXNKHA-HUUCEWRRSA-N 1 1 366.462 0.881 20 5 FCBDMO Cc1cccnc1C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001098366221 1219767368 /nfs/dbraw/zinc/76/73/68/1219767368.db2.gz XPYOSFSRFUCWMA-NVXWUHKLSA-N 1 1 362.430 0.841 20 5 FCBDMO Cc1cccnc1C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098366221 1219767369 /nfs/dbraw/zinc/76/73/69/1219767369.db2.gz XPYOSFSRFUCWMA-NVXWUHKLSA-N 1 1 362.430 0.841 20 5 FCBDMO Cc1cccnc1C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098366221 1219767371 /nfs/dbraw/zinc/76/73/71/1219767371.db2.gz XPYOSFSRFUCWMA-NVXWUHKLSA-N 1 1 362.430 0.841 20 5 FCBDMO C[C@H](NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@@H]1C[N@H+](C)CCO1 ZINC000781740755 1221096716 /nfs/dbraw/zinc/09/67/16/1221096716.db2.gz QRMLLVIJSGXDHC-XZJROXQQSA-N 1 1 362.386 0.923 20 5 FCBDMO C[C@H](NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@@H]1C[N@@H+](C)CCO1 ZINC000781740755 1221096721 /nfs/dbraw/zinc/09/67/21/1221096721.db2.gz QRMLLVIJSGXDHC-XZJROXQQSA-N 1 1 362.386 0.923 20 5 FCBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001117151251 1221482162 /nfs/dbraw/zinc/48/21/62/1221482162.db2.gz LCQSOINVANXEIO-JKSUJKDBSA-N 1 1 374.397 0.416 20 5 FCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC001117654449 1221601840 /nfs/dbraw/zinc/60/18/40/1221601840.db2.gz BNTWNEWWWPGNBC-ZDUSSCGKSA-N 1 1 364.406 0.041 20 5 FCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000828405563 1222403189 /nfs/dbraw/zinc/40/31/89/1222403189.db2.gz NNYOZMQBRPLUME-WBMJQRKESA-N 1 1 365.386 0.724 20 5 FCBDMO COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000828405563 1222403195 /nfs/dbraw/zinc/40/31/95/1222403195.db2.gz NNYOZMQBRPLUME-WBMJQRKESA-N 1 1 365.386 0.724 20 5 FCBDMO CN(C)C(=O)[C@H]1CC[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840176236 1222777270 /nfs/dbraw/zinc/77/72/70/1222777270.db2.gz YTXSWPDMGXOHHZ-BLLLJJGKSA-N 1 1 362.386 0.900 20 5 FCBDMO CN(C)C(=O)[C@H]1CC[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840176236 1222777272 /nfs/dbraw/zinc/77/72/72/1222777272.db2.gz YTXSWPDMGXOHHZ-BLLLJJGKSA-N 1 1 362.386 0.900 20 5 FCBDMO COc1cc(C)nc(NCc2cc(=O)n3c(n2)C[NH2+]CCC3)c1[N+](=O)[O-] ZINC001155488680 1223036815 /nfs/dbraw/zinc/03/68/15/1223036815.db2.gz FOIPVIIZHMZWTE-UHFFFAOYSA-N 1 1 360.374 0.969 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N(CC[NH2+]CCOCCO)CCc1ccccc1 ZINC001162810603 1223220031 /nfs/dbraw/zinc/22/00/31/1223220031.db2.gz NCTKQDGUGOJGPY-IAGOWNOFSA-N 1 1 365.430 0.321 20 5 FCBDMO Cc1cc(NC(=O)C[NH2+]CC2(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)no1 ZINC001164490757 1223239276 /nfs/dbraw/zinc/23/92/76/1223239276.db2.gz VCDVRFSIENXFGT-VXGBXAGGSA-N 1 1 365.390 0.463 20 5 FCBDMO Cc1cc(NC(=O)C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)on1 ZINC001205223809 1223318064 /nfs/dbraw/zinc/31/80/64/1223318064.db2.gz IUTSZBYURZKXOW-CHWSQXEVSA-N 1 1 365.390 0.415 20 5 FCBDMO Nc1ccc(Nc2cc(N3CC[NH+](CCO)CC3)ncn2)cc1[N+](=O)[O-] ZINC001209934791 1223657837 /nfs/dbraw/zinc/65/78/37/1223657837.db2.gz QAVRGFJAJCOGPG-UHFFFAOYSA-N 1 1 359.390 0.825 20 5 FCBDMO CC(C)(C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)[NH+]1CCCCC1 ZINC000978794001 1248772330 /nfs/dbraw/zinc/77/23/30/1248772330.db2.gz DMJWMTFRWHKEQB-LXTVHRRPSA-N 1 1 366.462 0.927 20 5 FCBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000920257824 1245618093 /nfs/dbraw/zinc/61/80/93/1245618093.db2.gz MKURAJOHLRWADJ-LBPRGKRZSA-N 1 1 364.402 0.742 20 5 FCBDMO O=C(C[NH+]1CCCC1)N1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000944385734 1247543780 /nfs/dbraw/zinc/54/37/80/1247543780.db2.gz ZCSWJQFDWFSNOA-HUUCEWRRSA-N 1 1 364.446 0.589 20 5 FCBDMO CN(C)c1[nH+]cc(CNC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)n1C ZINC001258287887 1260041918 /nfs/dbraw/zinc/04/19/18/1260041918.db2.gz MOHDACIRSJTVGQ-UHFFFAOYSA-N 1 1 374.401 0.369 20 5 FCBDMO CCOc1cc(NC(=O)NCC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001310944865 1263243925 /nfs/dbraw/zinc/24/39/25/1263243925.db2.gz IBGLRZBUHSOPOR-UHFFFAOYSA-N 1 1 365.390 0.889 20 5 FCBDMO Cc1nn(CCC(=O)N2CC(CN3CC[NH+](C)CC3)C2)c(C)c1[N+](=O)[O-] ZINC001324292956 1264613100 /nfs/dbraw/zinc/61/31/00/1264613100.db2.gz YRJMQLMRXRCRBH-UHFFFAOYSA-N 1 1 364.450 0.504 20 5 FCBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC001325806247 1264998862 /nfs/dbraw/zinc/99/88/62/1264998862.db2.gz UPPSAOUUDISAKE-CYBMUJFWSA-N 1 1 364.402 0.820 20 5 FCBDMO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001344031614 1270079030 /nfs/dbraw/zinc/07/90/30/1270079030.db2.gz LZKNBXFOWGIYBJ-KGLIPLIRSA-N 1 1 372.385 0.457 20 5 FCBDMO C[C@@H]1CS(=O)(=O)CCCN1C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001576862333 1273826833 /nfs/dbraw/zinc/82/68/33/1273826833.db2.gz ULNHBXMRUNIXJS-ABAIWWIYSA-N 1 1 355.416 0.804 20 5 FCBDMO C[N@@H+](CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001579197216 1276975311 /nfs/dbraw/zinc/97/53/11/1276975311.db2.gz DMPIFDHFDDWFTA-UHFFFAOYSA-N 1 1 370.373 0.965 20 5 FCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001582803682 1282029203 /nfs/dbraw/zinc/02/92/03/1282029203.db2.gz QNXOCQSZQMIPCX-NWDGAFQWSA-N 1 1 360.378 0.205 20 5 FCBDMO CC(C)C[N@H+]1CCO[C@H](CNc2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001589633123 1282923084 /nfs/dbraw/zinc/92/30/84/1282923084.db2.gz LPPRHWCDYNJYMX-GFCCVEGCSA-N 1 1 362.394 0.939 20 5 FCBDMO C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(-c2nn[nH]n2)s1 ZINC001591074693 1284138228 /nfs/dbraw/zinc/13/82/28/1284138228.db2.gz UMIAARHEQOWRCT-GHMZBOCLSA-N 1 1 365.419 0.532 20 5 FCBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001591250288 1284406334 /nfs/dbraw/zinc/40/63/34/1284406334.db2.gz LYPLKRAEISMDBE-VXGBXAGGSA-N 1 1 362.346 0.131 20 5 FCBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001591250288 1284406337 /nfs/dbraw/zinc/40/63/37/1284406337.db2.gz LYPLKRAEISMDBE-VXGBXAGGSA-N 1 1 362.346 0.131 20 5 FCBDMO Cc1[nH+]ccn1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001592418024 1285342702 /nfs/dbraw/zinc/34/27/02/1285342702.db2.gz ZDWMHEKSGVWHPS-UHFFFAOYSA-N 1 1 371.361 0.508 20 5 FCBDMO O=C(NCCC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001593073194 1285968453 /nfs/dbraw/zinc/96/84/53/1285968453.db2.gz KEGZZYNHCYUCHO-DGCLKSJQSA-N 1 1 363.353 0.267 20 5 FCBDMO O=C1N[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC[C@@H]2CO1 ZINC001593410462 1286133257 /nfs/dbraw/zinc/13/32/57/1286133257.db2.gz LSNZLWVOTACWKS-NEPJUHHUSA-N 1 1 359.346 0.705 20 5 FCBDMO C[C@@H]1CN(c2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC001605443095 1287965088 /nfs/dbraw/zinc/96/50/88/1287965088.db2.gz BJMQIISJNNUIKD-AOOOYVTPSA-N 1 1 365.369 0.805 20 5 FCBDMO C[C@@H]1CN(c2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC001605443095 1287965092 /nfs/dbraw/zinc/96/50/92/1287965092.db2.gz BJMQIISJNNUIKD-AOOOYVTPSA-N 1 1 365.369 0.805 20 5 FCBDMO O=C1N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC[C@H]2CO1 ZINC001607052546 1288623076 /nfs/dbraw/zinc/62/30/76/1288623076.db2.gz LSNZLWVOTACWKS-NWDGAFQWSA-N 1 1 359.346 0.705 20 5 FCBDMO O=C1N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC[C@H]2CO1 ZINC001607052546 1288623080 /nfs/dbraw/zinc/62/30/80/1288623080.db2.gz LSNZLWVOTACWKS-NWDGAFQWSA-N 1 1 359.346 0.705 20 5 FCBDMO C[N@@H+](CC(=O)NCCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CCC1 ZINC001688827537 1294539957 /nfs/dbraw/zinc/53/99/57/1294539957.db2.gz CBSMPLRDACPPMW-HZPDHXFCSA-N 1 1 366.462 0.881 20 5 FCBDMO C[N@H+](CC(=O)NCCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CCC1 ZINC001688827537 1294539967 /nfs/dbraw/zinc/53/99/67/1294539967.db2.gz CBSMPLRDACPPMW-HZPDHXFCSA-N 1 1 366.462 0.881 20 5 FCBDMO C[N@@H+](CC(=O)NCCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CCC1 ZINC001688827537 1294539973 /nfs/dbraw/zinc/53/99/73/1294539973.db2.gz CBSMPLRDACPPMW-HZPDHXFCSA-N 1 1 366.462 0.881 20 5 FCBDMO CCOC(=O)c1nc(Cl)nc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001164669073 719372985 /nfs/dbraw/zinc/37/29/85/719372985.db2.gz PPTJXRIBFFHSFE-DTWKUNHWSA-N 1 1 371.781 0.734 20 5 FCBDMO Cc1nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164752760 720796788 /nfs/dbraw/zinc/79/67/88/720796788.db2.gz ZRUPNYLOWOGEAG-QWHCGFSZSA-N 1 1 357.374 0.825 20 5 FCBDMO COc1nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)nc(OC)c1[N+](=O)[O-] ZINC001164925295 721862617 /nfs/dbraw/zinc/86/26/17/721862617.db2.gz NMCPOAYGMRSKQI-VXGBXAGGSA-N 1 1 366.422 0.617 20 5 FCBDMO COc1nc(N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)nc(OC)c1[N+](=O)[O-] ZINC001164925295 721862619 /nfs/dbraw/zinc/86/26/19/721862619.db2.gz NMCPOAYGMRSKQI-VXGBXAGGSA-N 1 1 366.422 0.617 20 5 FCBDMO COc1ccc(C(=O)NCC(=O)N2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000748352963 836296214 /nfs/dbraw/zinc/29/62/14/836296214.db2.gz MKALMXSYTQYEFZ-NSHDSACASA-N 1 1 350.375 0.496 20 5 FCBDMO COc1ccc(C(=O)NCC(=O)N2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000748352963 836296225 /nfs/dbraw/zinc/29/62/25/836296225.db2.gz MKALMXSYTQYEFZ-NSHDSACASA-N 1 1 350.375 0.496 20 5 FCBDMO CCN(C(=O)CC1CC[NH+](C)CC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079765229 839589453 /nfs/dbraw/zinc/58/94/53/839589453.db2.gz GUEPXVYTGUBKSO-HUUCEWRRSA-N 1 1 352.435 0.443 20 5 FCBDMO CCN(C(=O)CC[NH+]1CCCCC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079927622 839625697 /nfs/dbraw/zinc/62/56/97/839625697.db2.gz QZVTZTDRKRHWGQ-HUUCEWRRSA-N 1 1 352.435 0.587 20 5 FCBDMO CC(C)COCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001098366260 843911140 /nfs/dbraw/zinc/91/11/40/843911140.db2.gz YXAUXLKSKMGVSL-HZPDHXFCSA-N 1 1 357.451 0.610 20 5 FCBDMO CC(C)COCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098366260 843911144 /nfs/dbraw/zinc/91/11/44/843911144.db2.gz YXAUXLKSKMGVSL-HZPDHXFCSA-N 1 1 357.451 0.610 20 5 FCBDMO CC(C)COCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098366260 843911147 /nfs/dbraw/zinc/91/11/47/843911147.db2.gz YXAUXLKSKMGVSL-HZPDHXFCSA-N 1 1 357.451 0.610 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC(n2cc(C[NH2+]CCCCCF)nn2)C1 ZINC001105235595 844983019 /nfs/dbraw/zinc/98/30/19/844983019.db2.gz KOIZGSCROGTKBZ-ZIAGYGMSSA-N 1 1 354.386 0.556 20 5 FCBDMO CN(Cc1cccc(F)c1)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126949449 848714638 /nfs/dbraw/zinc/71/46/38/848714638.db2.gz TVNAROOKIFEGEK-ZIAGYGMSSA-N 1 1 352.366 0.155 20 5 FCBDMO O=C(C[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NC1CCCC1 ZINC001164490997 850413520 /nfs/dbraw/zinc/41/35/20/850413520.db2.gz WHOIVIYDJWRAIS-ZIAGYGMSSA-N 1 1 352.435 0.587 20 5 FCBDMO O=C([C@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)O1)N1CCOCC1 ZINC001169023566 850603202 /nfs/dbraw/zinc/60/32/02/850603202.db2.gz PAODYYSISRYKGH-UYJHQMFVSA-N 1 1 353.419 0.522 20 5 FCBDMO O=C(C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCCCC1 ZINC001178458764 850900508 /nfs/dbraw/zinc/90/05/08/850900508.db2.gz XEZNJLUOKRZGPS-HUUCEWRRSA-N 1 1 354.451 0.930 20 5 FCBDMO O=C(NCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C(F)(F)F ZINC001195761700 852823077 /nfs/dbraw/zinc/82/30/77/852823077.db2.gz PMKBULQCDRIGMU-GHMZBOCLSA-N 1 1 366.340 0.255 20 5 FCBDMO CN(C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1nccs1 ZINC001200473176 853499552 /nfs/dbraw/zinc/49/95/52/853499552.db2.gz YJHXQFOQZJBOLH-VXGBXAGGSA-N 1 1 367.431 0.352 20 5 FCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)n1 ZINC001307227297 866651363 /nfs/dbraw/zinc/65/13/63/866651363.db2.gz FIZJPWJBTBZULC-OLZOCXBDSA-N 1 1 350.375 0.812 20 5 FCBDMO O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)Nc1nccs1 ZINC001316614721 867365192 /nfs/dbraw/zinc/36/51/92/867365192.db2.gz FELVJGAOSVKCCM-LMLFDSFASA-N 1 1 353.404 0.231 20 5 FCBDMO C[NH+]1CCN(C(=O)CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC001353203209 867375127 /nfs/dbraw/zinc/37/51/27/867375127.db2.gz CRACWWDLPQLFSZ-UHFFFAOYSA-N 1 1 358.757 0.891 20 5 FCBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCSCC1 ZINC001321780594 868609248 /nfs/dbraw/zinc/60/92/48/868609248.db2.gz DHTSMNLGIBCTRT-UHFFFAOYSA-N 1 1 366.443 0.419 20 5 FCBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001332322234 873454443 /nfs/dbraw/zinc/45/44/43/873454443.db2.gz GPBVXKVCRVAVEC-TZMCWYRMSA-N 1 1 356.448 0.816 20 5 FCBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001332322234 873454445 /nfs/dbraw/zinc/45/44/45/873454445.db2.gz GPBVXKVCRVAVEC-TZMCWYRMSA-N 1 1 356.448 0.816 20 5 FCBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292330489 214094127 /nfs/dbraw/zinc/09/41/27/214094127.db2.gz WGTRUZUCEJHPGW-KBPBESRZSA-N 1 1 373.431 0.300 20 5 FCBDMO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000296343871 214344824 /nfs/dbraw/zinc/34/48/24/214344824.db2.gz VPJUAPKYZIMCJZ-OAHLLOKOSA-N 1 1 371.459 0.904 20 5 FCBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1CCn2ccnc21 ZINC000296668428 214358423 /nfs/dbraw/zinc/35/84/23/214358423.db2.gz FRIWWMQFTWKKAA-NSHDSACASA-N 1 1 351.388 0.804 20 5 FCBDMO NC(=O)c1cccc(C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)c1 ZINC000296959040 214371060 /nfs/dbraw/zinc/37/10/60/214371060.db2.gz YFMZNKXXBMALSJ-MRXNPFEDSA-N 1 1 359.386 0.916 20 5 FCBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000189769422 529887083 /nfs/dbraw/zinc/88/70/83/529887083.db2.gz RYZMBFDDNUEISV-UHFFFAOYSA-N 1 1 363.418 0.629 20 5 FCBDMO COc1cc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000265089998 210053111 /nfs/dbraw/zinc/05/31/11/210053111.db2.gz CKOLXHCHIQJQLX-UHFFFAOYSA-N 1 1 350.375 0.497 20 5 FCBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000264935852 210019565 /nfs/dbraw/zinc/01/95/65/210019565.db2.gz UKWVFUFNIYADJP-AWEZNQCLSA-N 1 1 365.434 0.146 20 5 FCBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000332222100 215111947 /nfs/dbraw/zinc/11/19/47/215111947.db2.gz YEEXYWNEPYWNLT-AWEZNQCLSA-N 1 1 374.397 0.989 20 5 FCBDMO C[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1CC[NH+](C)CC1 ZINC000332420606 215149740 /nfs/dbraw/zinc/14/97/40/215149740.db2.gz WHKWFFSQVLWJCK-ZDUSSCGKSA-N 1 1 350.423 0.591 20 5 FCBDMO COc1ccc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000264433585 209882189 /nfs/dbraw/zinc/88/21/89/209882189.db2.gz AYHZRHMPUJIZRU-GFCCVEGCSA-N 1 1 350.375 0.673 20 5 FCBDMO CCNC(=O)OC[C@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000285744760 213388589 /nfs/dbraw/zinc/38/85/89/213388589.db2.gz WDRHQRHOCCKHKP-OCCSQVGLSA-N 1 1 355.395 0.753 20 5 FCBDMO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285361233 213330339 /nfs/dbraw/zinc/33/03/39/213330339.db2.gz AHEZRMOGBXBCKD-UHFFFAOYSA-N 1 1 359.390 0.655 20 5 FCBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000283987429 213049410 /nfs/dbraw/zinc/04/94/10/213049410.db2.gz MYOIGKIQOBQRGH-UHFFFAOYSA-N 1 1 367.381 0.599 20 5 FCBDMO COCC(COC)[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000412434821 237207401 /nfs/dbraw/zinc/20/74/01/237207401.db2.gz JICSUGQRGOCOKE-UHFFFAOYSA-N 1 1 351.403 0.943 20 5 FCBDMO COc1ccc(OCC[NH+]2CCC(S(N)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000367122935 216078139 /nfs/dbraw/zinc/07/81/39/216078139.db2.gz JEKDXDQPRDWMEY-UHFFFAOYSA-N 1 1 359.404 0.735 20 5 FCBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000245604874 209371839 /nfs/dbraw/zinc/37/18/39/209371839.db2.gz YCMFNFLNRJOBAS-CVEARBPZSA-N 1 1 373.413 0.791 20 5 FCBDMO O=C1NCCN1[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000368807822 216298113 /nfs/dbraw/zinc/29/81/13/216298113.db2.gz ZFNOLGILKOPVSG-CABCVRRESA-N 1 1 364.402 0.824 20 5 FCBDMO C[C@H](O)C[NH+]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000189723311 209258258 /nfs/dbraw/zinc/25/82/58/209258258.db2.gz YUBNEXQGRNAIPQ-ZDUSSCGKSA-N 1 1 359.386 0.919 20 5 FCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@@H](C)C1 ZINC000188689812 209236341 /nfs/dbraw/zinc/23/63/41/209236341.db2.gz WBOHLQMLMDEMTA-QWHCGFSZSA-N 1 1 374.401 0.703 20 5 FCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@@H](C)C1 ZINC000188689812 209236344 /nfs/dbraw/zinc/23/63/44/209236344.db2.gz WBOHLQMLMDEMTA-QWHCGFSZSA-N 1 1 374.401 0.703 20 5 FCBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000187394853 209213594 /nfs/dbraw/zinc/21/35/94/209213594.db2.gz HRRVNDNZKRUNFN-ZDUSSCGKSA-N 1 1 363.418 0.676 20 5 FCBDMO COCCOCCOCC[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000276309027 212210423 /nfs/dbraw/zinc/21/04/23/212210423.db2.gz WUVJRMQTFBMPMV-INIZCTEOSA-N 1 1 372.418 0.946 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000275784128 212090560 /nfs/dbraw/zinc/09/05/60/212090560.db2.gz UAFIEFPVXXTYKG-UHFFFAOYSA-N 1 1 350.375 0.680 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CCCOCC1 ZINC000275784128 212090563 /nfs/dbraw/zinc/09/05/63/212090563.db2.gz UAFIEFPVXXTYKG-UHFFFAOYSA-N 1 1 350.375 0.680 20 5 FCBDMO C[C@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC[N@@H+]1CC(C)(C)O ZINC000275476200 212034157 /nfs/dbraw/zinc/03/41/57/212034157.db2.gz IWZLQHQEYZHAPJ-NSHDSACASA-N 1 1 372.447 0.524 20 5 FCBDMO C[C@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC[N@H+]1CC(C)(C)O ZINC000275476200 212034159 /nfs/dbraw/zinc/03/41/59/212034159.db2.gz IWZLQHQEYZHAPJ-NSHDSACASA-N 1 1 372.447 0.524 20 5 FCBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC[N@@H+]1CC(C)(C)O ZINC000275465445 212032506 /nfs/dbraw/zinc/03/25/06/212032506.db2.gz HYLTYBOYXQJGGW-NSHDSACASA-N 1 1 372.447 0.524 20 5 FCBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC[N@H+]1CC(C)(C)O ZINC000275465445 212032509 /nfs/dbraw/zinc/03/25/09/212032509.db2.gz HYLTYBOYXQJGGW-NSHDSACASA-N 1 1 372.447 0.524 20 5 FCBDMO [NH3+]CC(=O)N1CCC[C@@H](CN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000414677120 245312016 /nfs/dbraw/zinc/31/20/16/245312016.db2.gz WBVVRCPHANYAEK-HNNXBMFYSA-N 1 1 361.446 0.914 20 5 FCBDMO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000275071750 211957193 /nfs/dbraw/zinc/95/71/93/211957193.db2.gz AJUFGVUNBXVIDD-KOLCDFICSA-N 1 1 365.312 0.153 20 5 FCBDMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)O1 ZINC000374566158 217143821 /nfs/dbraw/zinc/14/38/21/217143821.db2.gz MNGVPHDTPVVBEA-DJIJKHNZSA-N 1 1 368.390 0.336 20 5 FCBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000181913305 209123351 /nfs/dbraw/zinc/12/33/51/209123351.db2.gz RIDGFXQFRPWHSV-CVEARBPZSA-N 1 1 365.430 0.989 20 5 FCBDMO C[C@H](CO)[N@H+]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000375500303 217274846 /nfs/dbraw/zinc/27/48/46/217274846.db2.gz XPQPULHYMVMNDQ-GDBMZVCRSA-N 1 1 353.419 0.723 20 5 FCBDMO C[C@H](CO)N1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000375500303 217274849 /nfs/dbraw/zinc/27/48/49/217274849.db2.gz XPQPULHYMVMNDQ-GDBMZVCRSA-N 1 1 353.419 0.723 20 5 FCBDMO C[C@H](CO)N1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000375500303 217274852 /nfs/dbraw/zinc/27/48/52/217274852.db2.gz XPQPULHYMVMNDQ-GDBMZVCRSA-N 1 1 353.419 0.723 20 5 FCBDMO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000440360449 248177525 /nfs/dbraw/zinc/17/75/25/248177525.db2.gz RMBZOWKZAPTZSU-UHFFFAOYSA-N 1 1 350.194 0.951 20 5 FCBDMO C[C@H]1C[C@@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[N@H+]1C1CC1 ZINC000440930417 248223665 /nfs/dbraw/zinc/22/36/65/248223665.db2.gz UJLLQLDKYBTDIW-WDEREUQCSA-N 1 1 372.381 0.932 20 5 FCBDMO COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440505555 248191829 /nfs/dbraw/zinc/19/18/29/248191829.db2.gz YYPKNUOVNFOLMY-LBPRGKRZSA-N 1 1 365.390 0.498 20 5 FCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000440519858 248193835 /nfs/dbraw/zinc/19/38/35/248193835.db2.gz WYKCAZYZTCVMRJ-QGZVFWFLSA-N 1 1 359.386 0.545 20 5 FCBDMO Cc1cc(=O)c(C(=O)NCC[NH+]2CCC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000443954450 248344882 /nfs/dbraw/zinc/34/48/82/248344882.db2.gz BUWRVFCSJNZYQW-UHFFFAOYSA-N 1 1 357.370 0.885 20 5 FCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000469976514 250016472 /nfs/dbraw/zinc/01/64/72/250016472.db2.gz YDXMXNMFNXZPMF-QWHCGFSZSA-N 1 1 367.454 0.189 20 5 FCBDMO CC(C)(C(N)=O)N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000470955657 250083475 /nfs/dbraw/zinc/08/34/75/250083475.db2.gz NKXHVDBUXOOZPG-UHFFFAOYSA-N 1 1 363.418 0.805 20 5 FCBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000472117952 250132571 /nfs/dbraw/zinc/13/25/71/250132571.db2.gz OJHHZSFJBZVODU-ZDUSSCGKSA-N 1 1 352.439 0.669 20 5 FCBDMO COC(=O)c1cc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000473366429 250223043 /nfs/dbraw/zinc/22/30/43/250223043.db2.gz BRZGYWVYLAFIQC-NWDGAFQWSA-N 1 1 365.386 0.909 20 5 FCBDMO COC(=O)c1cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000473366429 250223047 /nfs/dbraw/zinc/22/30/47/250223047.db2.gz BRZGYWVYLAFIQC-NWDGAFQWSA-N 1 1 365.386 0.909 20 5 FCBDMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269681896 211044546 /nfs/dbraw/zinc/04/45/46/211044546.db2.gz YGKZYRHGLROWFZ-DOMZBBRYSA-N 1 1 357.432 0.889 20 5 FCBDMO C[C@H]1C[C@@H](NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000180942294 209104361 /nfs/dbraw/zinc/10/43/61/209104361.db2.gz HQRQZKYCWFEUNQ-STQMWFEESA-N 1 1 356.448 0.945 20 5 FCBDMO COC(=O)[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[N@@H+](C)C1 ZINC000411915209 533487698 /nfs/dbraw/zinc/48/76/98/533487698.db2.gz LFSVVXOZCJNPOB-ZDUSSCGKSA-N 1 1 364.402 0.878 20 5 FCBDMO COC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000411908491 533489119 /nfs/dbraw/zinc/48/91/19/533489119.db2.gz DXBVSSOFXBCQJU-STQMWFEESA-N 1 1 364.402 0.958 20 5 FCBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[N@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000287576604 488883290 /nfs/dbraw/zinc/88/32/90/488883290.db2.gz XIDURTQCMJXPSW-LLVKDONJSA-N 1 1 351.363 0.528 20 5 FCBDMO C[C@H](CNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[N@@H+](C)C1CC1 ZINC000287761094 488902807 /nfs/dbraw/zinc/90/28/07/488902807.db2.gz HLVPGJWACAODJR-SNVBAGLBSA-N 1 1 374.401 0.686 20 5 FCBDMO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)N1 ZINC000279062048 488914181 /nfs/dbraw/zinc/91/41/81/488914181.db2.gz LQDDFLYFGXWOMJ-INIZCTEOSA-N 1 1 372.341 0.819 20 5 FCBDMO O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)N1 ZINC000279062048 488914183 /nfs/dbraw/zinc/91/41/83/488914183.db2.gz LQDDFLYFGXWOMJ-INIZCTEOSA-N 1 1 372.341 0.819 20 5 FCBDMO CN(C(=O)C[NH2+]C1(CO)COC(C)(C)OC1)c1ccc([N+](=O)[O-])cc1 ZINC000279188379 488923463 /nfs/dbraw/zinc/92/34/63/488923463.db2.gz DQSRNMPUEKDSMV-UHFFFAOYSA-N 1 1 353.375 0.661 20 5 FCBDMO CS(=O)(=O)N1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000024926448 487654246 /nfs/dbraw/zinc/65/42/46/487654246.db2.gz MNSKWWFGANESCA-UHFFFAOYSA-N 1 1 370.431 0.891 20 5 FCBDMO COC(=O)[C@H](C)NC(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000029066155 487717087 /nfs/dbraw/zinc/71/70/87/487717087.db2.gz RNECRQDGSOHHDJ-NSHDSACASA-N 1 1 350.375 0.638 20 5 FCBDMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000042744107 487875711 /nfs/dbraw/zinc/87/57/11/487875711.db2.gz RWDHZBYDEFDXGK-UHFFFAOYSA-N 1 1 356.404 0.037 20 5 FCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000047699981 488043326 /nfs/dbraw/zinc/04/33/26/488043326.db2.gz WLBYHIKJCJZZEU-CYBMUJFWSA-N 1 1 355.416 0.938 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000051131811 488125083 /nfs/dbraw/zinc/12/50/83/488125083.db2.gz SHZCJORLKKOGNJ-CYBMUJFWSA-N 1 1 352.347 0.118 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000051131811 488125086 /nfs/dbraw/zinc/12/50/86/488125086.db2.gz SHZCJORLKKOGNJ-CYBMUJFWSA-N 1 1 352.347 0.118 20 5 FCBDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000288306190 488968561 /nfs/dbraw/zinc/96/85/61/488968561.db2.gz HHGNIHUHAMEQDJ-UHFFFAOYSA-N 1 1 362.427 0.896 20 5 FCBDMO CN(CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CC[NH+](C)C ZINC000288306190 488968563 /nfs/dbraw/zinc/96/85/63/488968563.db2.gz HHGNIHUHAMEQDJ-UHFFFAOYSA-N 1 1 362.427 0.896 20 5 FCBDMO C[NH+](C)CCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000279811145 488969823 /nfs/dbraw/zinc/96/98/23/488969823.db2.gz PYQREPTUGMGJKZ-CQSZACIVSA-N 1 1 355.416 0.786 20 5 FCBDMO CN1CC[NH+](CCCNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000067190698 488345846 /nfs/dbraw/zinc/34/58/46/488345846.db2.gz KAFCUVKRBCRZRT-UHFFFAOYSA-N 1 1 364.402 0.733 20 5 FCBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000069425546 488372426 /nfs/dbraw/zinc/37/24/26/488372426.db2.gz LVXYTQWLRAQLAY-UHFFFAOYSA-N 1 1 363.418 0.947 20 5 FCBDMO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000182663164 488389533 /nfs/dbraw/zinc/38/95/33/488389533.db2.gz WBPWDPNCFRRODU-LLVKDONJSA-N 1 1 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CC(C)(O)C[NH+]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000106402295 488514198 /nfs/dbraw/zinc/51/41/98/488514198.db2.gz VQCKIVUDIONRTA-UHFFFAOYSA-N 1 1 374.401 0.704 20 5 FCBDMO Cc1nn(CCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000251707165 488516802 /nfs/dbraw/zinc/51/68/02/488516802.db2.gz JWPNXUCCJCJVQL-NEPJUHHUSA-N 1 1 353.423 0.712 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000116056840 488546140 /nfs/dbraw/zinc/54/61/40/488546140.db2.gz XTLLSKQJEXCAMQ-AWEZNQCLSA-N 1 1 353.423 0.963 20 5 FCBDMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000272827182 488608800 /nfs/dbraw/zinc/60/88/00/488608800.db2.gz JJWBDGKLJRWNGI-UHFFFAOYSA-N 1 1 358.782 0.881 20 5 FCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000272839239 488610089 /nfs/dbraw/zinc/61/00/89/488610089.db2.gz LTJZURNBXHWIOA-LLVKDONJSA-N 1 1 369.809 0.549 20 5 FCBDMO CC1(C)C[N@H+](CCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CCO1 ZINC000263694952 488619636 /nfs/dbraw/zinc/61/96/36/488619636.db2.gz KLHILVJUSYIDQY-UHFFFAOYSA-N 1 1 358.420 0.765 20 5 FCBDMO CC1(C)C[N@@H+](CCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CCO1 ZINC000263694952 488619637 /nfs/dbraw/zinc/61/96/37/488619637.db2.gz KLHILVJUSYIDQY-UHFFFAOYSA-N 1 1 358.420 0.765 20 5 FCBDMO O=C(Cn1nccc1[N+](=O)[O-])NCC1([NH+]2CCOCC2)CCCCC1 ZINC000127998771 488621659 /nfs/dbraw/zinc/62/16/59/488621659.db2.gz HWSXVLLEAFGQBZ-UHFFFAOYSA-N 1 1 351.407 0.943 20 5 FCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272979082 488622044 /nfs/dbraw/zinc/62/20/44/488622044.db2.gz KWMFMNQXQMEONT-LRDDRELGSA-N 1 1 361.402 0.450 20 5 FCBDMO Cc1ccn(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c(=O)c1[N+](=O)[O-] ZINC000130060432 488635280 /nfs/dbraw/zinc/63/52/80/488635280.db2.gz JOCNFRCUJAMXHR-CQSZACIVSA-N 1 1 366.418 0.538 20 5 FCBDMO Cc1n[nH]c(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000263961440 488639094 /nfs/dbraw/zinc/63/90/94/488639094.db2.gz PZEMRKMQUXFLHE-NSHDSACASA-N 1 1 352.395 0.299 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000131358180 488645151 /nfs/dbraw/zinc/64/51/51/488645151.db2.gz USYWLOASIXIJQY-AWEZNQCLSA-N 1 1 353.423 0.843 20 5 FCBDMO C[C@@H]1C[N@H+](CCCNC(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000133039812 488657186 /nfs/dbraw/zinc/65/71/86/488657186.db2.gz PKJZIJIFLWKPLJ-BETUJISGSA-N 1 1 354.411 0.590 20 5 FCBDMO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000264671318 488696685 /nfs/dbraw/zinc/69/66/85/488696685.db2.gz AYRITYSPQFRGOK-CQSZACIVSA-N 1 1 359.390 0.151 20 5 FCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000264671318 488696688 /nfs/dbraw/zinc/69/66/88/488696688.db2.gz AYRITYSPQFRGOK-CQSZACIVSA-N 1 1 359.390 0.151 20 5 FCBDMO CCc1n[nH]c(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000264683570 488698266 /nfs/dbraw/zinc/69/82/66/488698266.db2.gz QJHRLCUOGDCQKH-GFCCVEGCSA-N 1 1 366.422 0.553 20 5 FCBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000151702896 488708939 /nfs/dbraw/zinc/70/89/39/488708939.db2.gz YAENOGZDEHMSQD-BETUJISGSA-N 1 1 368.438 0.978 20 5 FCBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000151702896 488708942 /nfs/dbraw/zinc/70/89/42/488708942.db2.gz YAENOGZDEHMSQD-BETUJISGSA-N 1 1 368.438 0.978 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000264782054 488711027 /nfs/dbraw/zinc/71/10/27/488711027.db2.gz YIPRLCHBTRIBQU-AWEZNQCLSA-N 1 1 351.407 0.648 20 5 FCBDMO CNS(=O)(=O)c1ccc(NC[C@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000264806017 488714297 /nfs/dbraw/zinc/71/42/97/488714297.db2.gz VOKZUAWAFODNPY-NSHDSACASA-N 1 1 357.436 0.161 20 5 FCBDMO CC[N@@H+](CCO)CCNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000274579473 488721186 /nfs/dbraw/zinc/72/11/86/488721186.db2.gz SGBIYPWFFDYDCN-UHFFFAOYSA-N 1 1 370.431 0.216 20 5 FCBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000563138380 491219908 /nfs/dbraw/zinc/21/99/08/491219908.db2.gz PYTHAYYXZNOUOB-HUUCEWRRSA-N 1 1 353.419 0.771 20 5 FCBDMO C[C@H](O)C[NH+]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000275122486 488763464 /nfs/dbraw/zinc/76/34/64/488763464.db2.gz HOMFARPVRRBEBW-ZDUSSCGKSA-N 1 1 364.402 0.240 20 5 FCBDMO COC(=O)Cn1cc(CC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000161854259 488799373 /nfs/dbraw/zinc/79/93/73/488799373.db2.gz DRVCDRTZPHWZCN-UHFFFAOYSA-N 1 1 374.401 0.724 20 5 FCBDMO C[C@H]1C[N@H+](C)CC[C@@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162106796 488801005 /nfs/dbraw/zinc/80/10/05/488801005.db2.gz RMQQPVSGFDHEHE-WFASDCNBSA-N 1 1 356.448 0.803 20 5 FCBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162106796 488801006 /nfs/dbraw/zinc/80/10/06/488801006.db2.gz RMQQPVSGFDHEHE-WFASDCNBSA-N 1 1 356.448 0.803 20 5 FCBDMO C[C@H]1CN(C)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162106796 488801007 /nfs/dbraw/zinc/80/10/07/488801007.db2.gz RMQQPVSGFDHEHE-WFASDCNBSA-N 1 1 356.448 0.803 20 5 FCBDMO COc1ccc([C@H](CO)[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000173742796 488845011 /nfs/dbraw/zinc/84/50/11/488845011.db2.gz ZWKIJRJKXYGNAK-ZBFHGGJFSA-N 1 1 350.375 0.826 20 5 FCBDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000288639684 489000370 /nfs/dbraw/zinc/00/03/70/489000370.db2.gz OZDNVAGEPBRLNV-UHFFFAOYSA-N 1 1 358.464 0.898 20 5 FCBDMO CN(CCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)CC[NH+](C)C ZINC000288639684 489000373 /nfs/dbraw/zinc/00/03/73/489000373.db2.gz OZDNVAGEPBRLNV-UHFFFAOYSA-N 1 1 358.464 0.898 20 5 FCBDMO COCC[NH+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000281085713 489051865 /nfs/dbraw/zinc/05/18/65/489051865.db2.gz CLJNXBQRPOBXOG-UHFFFAOYSA-N 1 1 352.391 0.806 20 5 FCBDMO CC[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+]1C[C@H](C)O ZINC000330683061 489132696 /nfs/dbraw/zinc/13/26/96/489132696.db2.gz IIFBYUOIRJNBQF-QWHCGFSZSA-N 1 1 353.423 0.830 20 5 FCBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@H]2C1 ZINC000291492001 489174335 /nfs/dbraw/zinc/17/43/35/489174335.db2.gz BHZCGDZYJYQGTJ-RISCZKNCSA-N 1 1 372.381 0.743 20 5 FCBDMO C[N@H+]1CCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000282600913 489178027 /nfs/dbraw/zinc/17/80/27/489178027.db2.gz QRDFVUKMWQTIKR-UHFFFAOYSA-N 1 1 356.448 0.899 20 5 FCBDMO CN(C)c1cc(F)c(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000295402307 489192971 /nfs/dbraw/zinc/19/29/71/489192971.db2.gz ZPFIFEPLNDPGAL-LLVKDONJSA-N 1 1 353.398 0.776 20 5 FCBDMO CNc1nccc(C(=O)NCC2CCN(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000563382689 491240968 /nfs/dbraw/zinc/24/09/68/491240968.db2.gz GYNWWFXGFNGVSY-UHFFFAOYSA-N 1 1 364.450 1.035 20 5 FCBDMO COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369697693 489265499 /nfs/dbraw/zinc/26/54/99/489265499.db2.gz ZPESAIWPVIAKFM-NSHDSACASA-N 1 1 368.394 0.289 20 5 FCBDMO O=C(Nc1ccccn1)[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000369831818 489280053 /nfs/dbraw/zinc/28/00/53/489280053.db2.gz WISZDYJCRXCZGR-ZFWWWQNUSA-N 1 1 374.401 0.898 20 5 FCBDMO O=C(Nc1ccccn1)[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000369831815 489280073 /nfs/dbraw/zinc/28/00/73/489280073.db2.gz WISZDYJCRXCZGR-DZGCQCFKSA-N 1 1 374.401 0.898 20 5 FCBDMO O=C(CNC(=O)c1cc([N+](=O)[O-])n[nH]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000285896858 489331707 /nfs/dbraw/zinc/33/17/07/489331707.db2.gz GMVGBIZOBHBBSV-UHFFFAOYSA-N 1 1 372.385 0.392 20 5 FCBDMO CNC(=O)C[NH+]1CCC(Nc2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000286251234 489373777 /nfs/dbraw/zinc/37/37/77/489373777.db2.gz VHNPURDWJUZYDN-UHFFFAOYSA-N 1 1 351.363 0.399 20 5 FCBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000299008337 489394330 /nfs/dbraw/zinc/39/43/30/489394330.db2.gz LMYLLHQKUPSBGK-UHFFFAOYSA-N 1 1 359.386 0.970 20 5 FCBDMO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000362932100 489406255 /nfs/dbraw/zinc/40/62/55/489406255.db2.gz NNVRWGAHTHYCTI-KBPBESRZSA-N 1 1 362.386 0.821 20 5 FCBDMO CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370840521 489410133 /nfs/dbraw/zinc/41/01/33/489410133.db2.gz WCJGDCKYBGQAMM-CQSZACIVSA-N 1 1 350.423 0.418 20 5 FCBDMO CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370840521 489410137 /nfs/dbraw/zinc/41/01/37/489410137.db2.gz WCJGDCKYBGQAMM-CQSZACIVSA-N 1 1 350.423 0.418 20 5 FCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000299556815 489455505 /nfs/dbraw/zinc/45/55/05/489455505.db2.gz XHFQAOPOGPAEBS-UHFFFAOYSA-N 1 1 362.411 0.993 20 5 FCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC[N@H+]1CCc2sccc2C1 ZINC000299556815 489455506 /nfs/dbraw/zinc/45/55/06/489455506.db2.gz XHFQAOPOGPAEBS-UHFFFAOYSA-N 1 1 362.411 0.993 20 5 FCBDMO O=C(NCC(F)F)[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451800018 489525051 /nfs/dbraw/zinc/52/50/51/489525051.db2.gz YQQPAQKFZWLVEA-NEPJUHHUSA-N 1 1 361.349 0.388 20 5 FCBDMO O=C(NCC(F)F)[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451800018 489525054 /nfs/dbraw/zinc/52/50/54/489525054.db2.gz YQQPAQKFZWLVEA-NEPJUHHUSA-N 1 1 361.349 0.388 20 5 FCBDMO [NH3+]CC(F)(F)CNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000415596593 489534600 /nfs/dbraw/zinc/53/46/00/489534600.db2.gz CTDGFALJAGAKHJ-UHFFFAOYSA-N 1 1 374.300 0.405 20 5 FCBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000426182082 489557938 /nfs/dbraw/zinc/55/79/38/489557938.db2.gz COUYJWCOLFQERQ-LBPRGKRZSA-N 1 1 373.431 0.996 20 5 FCBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000426182082 489557941 /nfs/dbraw/zinc/55/79/41/489557941.db2.gz COUYJWCOLFQERQ-LBPRGKRZSA-N 1 1 373.431 0.996 20 5 FCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000372806987 489638399 /nfs/dbraw/zinc/63/83/99/489638399.db2.gz POCFZQSDOOUNLF-GJZGRUSLSA-N 1 1 351.407 0.941 20 5 FCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000428553527 489653870 /nfs/dbraw/zinc/65/38/70/489653870.db2.gz XGXZLMKCQSDAMH-INIZCTEOSA-N 1 1 372.381 0.962 20 5 FCBDMO C[C@H](C(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000555736811 491269507 /nfs/dbraw/zinc/26/95/07/491269507.db2.gz NJGXHYHCXSUSSK-GUYCJALGSA-N 1 1 351.403 0.898 20 5 FCBDMO COC[C@@H](C)OC[C@H](O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459515199 489735262 /nfs/dbraw/zinc/73/52/62/489735262.db2.gz UACRVBJOWXAPBE-ZIAGYGMSSA-N 1 1 354.407 0.524 20 5 FCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CC(=O)N1CC[NH2+]CC1 ZINC000430601222 489750563 /nfs/dbraw/zinc/75/05/63/489750563.db2.gz CYMMHPGOZNSCCD-UHFFFAOYSA-N 1 1 363.418 0.595 20 5 FCBDMO Cc1n[nH]c(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000490567268 489773871 /nfs/dbraw/zinc/77/38/71/489773871.db2.gz OBILJGXDHJTIJN-UHFFFAOYSA-N 1 1 350.379 0.007 20 5 FCBDMO [NH3+]CC(F)(F)CNC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420156577 489935225 /nfs/dbraw/zinc/93/52/25/489935225.db2.gz WBYWXQUXAFYRFH-UHFFFAOYSA-N 1 1 356.329 0.796 20 5 FCBDMO NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000564105962 491289199 /nfs/dbraw/zinc/28/91/99/491289199.db2.gz PTGKTCRDDBDQHR-JTQLQIEISA-N 1 1 368.415 0.456 20 5 FCBDMO COCC[N@@H+](C)CCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000477186620 489948713 /nfs/dbraw/zinc/94/87/13/489948713.db2.gz LAMWLEFJWOJHTD-UHFFFAOYSA-N 1 1 360.436 0.835 20 5 FCBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434981137 489972057 /nfs/dbraw/zinc/97/20/57/489972057.db2.gz DAFQEZGYAATPKO-CQSZACIVSA-N 1 1 366.418 0.467 20 5 FCBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434997730 489973109 /nfs/dbraw/zinc/97/31/09/489973109.db2.gz WTTSFOJLMQQXCV-BBRMVZONSA-N 1 1 366.418 0.547 20 5 FCBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434997730 489973110 /nfs/dbraw/zinc/97/31/10/489973110.db2.gz WTTSFOJLMQQXCV-BBRMVZONSA-N 1 1 366.418 0.547 20 5 FCBDMO COC(=O)C[C@@]1([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000464626095 490062785 /nfs/dbraw/zinc/06/27/85/490062785.db2.gz LLYITOWFMVAOMH-HNNXBMFYSA-N 1 1 372.399 0.680 20 5 FCBDMO CC[N@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000442966656 490063407 /nfs/dbraw/zinc/06/34/07/490063407.db2.gz MUJHPZOIRWLKRK-GFCCVEGCSA-N 1 1 351.359 0.857 20 5 FCBDMO CC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000442966656 490063411 /nfs/dbraw/zinc/06/34/11/490063411.db2.gz MUJHPZOIRWLKRK-GFCCVEGCSA-N 1 1 351.359 0.857 20 5 FCBDMO Cc1c(C(=O)NC[C@]2(O)CC[N@H+](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000545156710 490087133 /nfs/dbraw/zinc/08/71/33/490087133.db2.gz BOUXLFWVSZSLRY-MRXNPFEDSA-N 1 1 360.374 0.280 20 5 FCBDMO CC(C)[N@@H+](C)CC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421987943 490123416 /nfs/dbraw/zinc/12/34/16/490123416.db2.gz 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COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000759259031 667800166 /nfs/dbraw/zinc/80/01/66/667800166.db2.gz KQBLJVHYMZFNGQ-LBPRGKRZSA-N 1 1 373.431 0.993 20 5 FCBDMO COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000759259031 667800170 /nfs/dbraw/zinc/80/01/70/667800170.db2.gz KQBLJVHYMZFNGQ-LBPRGKRZSA-N 1 1 373.431 0.993 20 5 FCBDMO C[C@@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000771760627 668270810 /nfs/dbraw/zinc/27/08/10/668270810.db2.gz SGCJOPULVIBSBL-IAQYHMDHSA-N 1 1 351.359 0.621 20 5 FCBDMO C[C@@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000771760627 668270814 /nfs/dbraw/zinc/27/08/14/668270814.db2.gz SGCJOPULVIBSBL-IAQYHMDHSA-N 1 1 351.359 0.621 20 5 FCBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](CCCCO)CC1 ZINC000782333852 668555466 /nfs/dbraw/zinc/55/54/66/668555466.db2.gz BJGWRCCBLSWBGW-UHFFFAOYSA-N 1 1 358.420 0.137 20 5 FCBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000818986637 668968869 /nfs/dbraw/zinc/96/88/69/668968869.db2.gz QSNWOCTXLRBHRT-UXLLHSPISA-N 1 1 351.403 0.787 20 5 FCBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000818986637 668968871 /nfs/dbraw/zinc/96/88/71/668968871.db2.gz QSNWOCTXLRBHRT-UXLLHSPISA-N 1 1 351.403 0.787 20 5 FCBDMO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000796549938 669107353 /nfs/dbraw/zinc/10/73/53/669107353.db2.gz RHUMGWMKBRWDOS-TZMCWYRMSA-N 1 1 355.395 0.705 20 5 FCBDMO COCC[N@@H+]1[C@H](C)CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000826629520 669505317 /nfs/dbraw/zinc/50/53/17/669505317.db2.gz VJEJDTWMQPYMPB-TXEJJXNPSA-N 1 1 372.447 0.788 20 5 FCBDMO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000808160068 669544780 /nfs/dbraw/zinc/54/47/80/669544780.db2.gz MUORVXSVEFVMLT-QWRGUYRKSA-N 1 1 363.399 0.881 20 5 FCBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[C@H](C)[N@H+]1CCO ZINC000829015853 669680196 /nfs/dbraw/zinc/68/01/96/669680196.db2.gz UZKRPGVNCDYJFL-PHIMTYICSA-N 1 1 358.420 0.134 20 5 FCBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[C@H](C)[N@@H+]1CCO ZINC000829015853 669680198 /nfs/dbraw/zinc/68/01/98/669680198.db2.gz UZKRPGVNCDYJFL-PHIMTYICSA-N 1 1 358.420 0.134 20 5 FCBDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815034469 669896466 /nfs/dbraw/zinc/89/64/66/669896466.db2.gz PLYVLBKNWJORBX-LBPRGKRZSA-N 1 1 367.786 0.732 20 5 FCBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832823656 669927688 /nfs/dbraw/zinc/92/76/88/669927688.db2.gz UKEGMCZBXBYMEG-MRXNPFEDSA-N 1 1 352.435 0.970 20 5 FCBDMO CN(CCCN(C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000832823656 669927689 /nfs/dbraw/zinc/92/76/89/669927689.db2.gz UKEGMCZBXBYMEG-MRXNPFEDSA-N 1 1 352.435 0.970 20 5 FCBDMO C[C@@H]1CN(S(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000842717699 670720164 /nfs/dbraw/zinc/72/01/64/670720164.db2.gz NMCUZOSFAFYPCF-SNVBAGLBSA-N 1 1 370.387 0.534 20 5 FCBDMO C[NH+](C)CCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000849195607 671321029 /nfs/dbraw/zinc/32/10/29/671321029.db2.gz IAHNRYUALHRQKA-GFCCVEGCSA-N 1 1 370.431 0.368 20 5 FCBDMO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)c(C)c1[N+](=O)[O-] ZINC000858627997 671770361 /nfs/dbraw/zinc/77/03/61/671770361.db2.gz DZQRCWZFADQMID-SNVBAGLBSA-N 1 1 374.375 0.387 20 5 FCBDMO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCC[N@H+]1CC[C@H](O)C1 ZINC000858867912 671780224 /nfs/dbraw/zinc/78/02/24/671780224.db2.gz SKIKCQSJIQUUOL-JTQLQIEISA-N 1 1 354.319 0.768 20 5 FCBDMO O=C(/C=C\C1CC1)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575033 676024671 /nfs/dbraw/zinc/02/46/71/676024671.db2.gz IYBKISJEYIIXNS-LPUOJRKPSA-N 1 1 350.419 0.315 20 5 FCBDMO O=C(C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2)NC1CC1 ZINC001048525408 675859332 /nfs/dbraw/zinc/85/93/32/675859332.db2.gz TXPGWNVEMFPEFW-COWZWYNKSA-N 1 1 350.419 0.289 20 5 FCBDMO O=C(C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2)NC1CC1 ZINC001048525408 675859336 /nfs/dbraw/zinc/85/93/36/675859336.db2.gz TXPGWNVEMFPEFW-COWZWYNKSA-N 1 1 350.419 0.289 20 5 FCBDMO O=C(C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2)NC1CC1 ZINC001048525408 675859339 /nfs/dbraw/zinc/85/93/39/675859339.db2.gz TXPGWNVEMFPEFW-COWZWYNKSA-N 1 1 350.419 0.289 20 5 FCBDMO CN(CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000988554067 1192279078 /nfs/dbraw/zinc/27/90/78/1192279078.db2.gz DMYFQPBHXMXKMW-HUUCEWRRSA-N 1 1 366.462 0.833 20 5 FCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000894641503 1188237386 /nfs/dbraw/zinc/23/73/86/1188237386.db2.gz RZESPBPOHWBLNG-INIZCTEOSA-N 1 1 372.429 0.815 20 5 FCBDMO COCc1noc(CN(C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001029964605 1191036055 /nfs/dbraw/zinc/03/60/55/1191036055.db2.gz QQXLJZMPWUDXLD-CHWSQXEVSA-N 1 1 367.406 0.552 20 5 FCBDMO COC(=O)c1cn([C@H]2CC[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000760878163 1196525503 /nfs/dbraw/zinc/52/55/03/1196525503.db2.gz BFCJUTCIMPKRMD-DZGCQCFKSA-N 1 1 361.358 0.953 20 5 FCBDMO O=C1C[C@H]([N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000594660270 1196734464 /nfs/dbraw/zinc/73/44/64/1196734464.db2.gz MLIQLFALBIDKND-DFBGVHRSSA-N 1 1 372.381 0.827 20 5 FCBDMO O=C1C[C@H]([N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000594660270 1196734471 /nfs/dbraw/zinc/73/44/71/1196734471.db2.gz MLIQLFALBIDKND-DFBGVHRSSA-N 1 1 372.381 0.827 20 5 FCBDMO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593855235 1196826794 /nfs/dbraw/zinc/82/67/94/1196826794.db2.gz IDHMNZLNLSOFLU-CYBMUJFWSA-N 1 1 357.370 0.672 20 5 FCBDMO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593855235 1196826796 /nfs/dbraw/zinc/82/67/96/1196826796.db2.gz IDHMNZLNLSOFLU-CYBMUJFWSA-N 1 1 357.370 0.672 20 5 FCBDMO Cn1cccc1C(=O)N[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H]2COC[C@H]12 ZINC001169023691 1199044143 /nfs/dbraw/zinc/04/41/43/1199044143.db2.gz PPIIMPCLROBGRA-DEQQHWRFSA-N 1 1 362.430 0.900 20 5 FCBDMO COC(=O)CN1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000789399054 1201002438 /nfs/dbraw/zinc/00/24/38/1201002438.db2.gz SBOBNOFMNLXVEV-UHFFFAOYSA-N 1 1 368.365 0.853 20 5 FCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CCCCCn1cncn1)C2 ZINC001147506278 1204789784 /nfs/dbraw/zinc/78/97/84/1204789784.db2.gz FIXFBIHTWZSFPV-HUUCEWRRSA-N 1 1 362.434 0.648 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCCCCn1cncn1)C2 ZINC001147506278 1204789788 /nfs/dbraw/zinc/78/97/88/1204789788.db2.gz FIXFBIHTWZSFPV-HUUCEWRRSA-N 1 1 362.434 0.648 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CCCCCn1cncn1)C2 ZINC001147506278 1204789792 /nfs/dbraw/zinc/78/97/92/1204789792.db2.gz FIXFBIHTWZSFPV-HUUCEWRRSA-N 1 1 362.434 0.648 20 5 FCBDMO O=C(C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])NC1CCOCC1 ZINC001178458722 1206357775 /nfs/dbraw/zinc/35/77/75/1206357775.db2.gz VDRKAHDVYLPEMT-HUUCEWRRSA-N 1 1 370.450 0.213 20 5 FCBDMO NC(=O)[C@@H]1CC[C@H](C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)O1 ZINC000860781250 1209855679 /nfs/dbraw/zinc/85/56/79/1209855679.db2.gz XRNLJTCYKTWOTD-SOUVJXGZSA-N 1 1 363.370 0.745 20 5 FCBDMO NC(=O)[C@@H]1CC[C@H](C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)O1 ZINC000860781250 1209855681 /nfs/dbraw/zinc/85/56/81/1209855681.db2.gz XRNLJTCYKTWOTD-SOUVJXGZSA-N 1 1 363.370 0.745 20 5 FCBDMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861709981 1209875553 /nfs/dbraw/zinc/87/55/53/1209875553.db2.gz MOQPHWCVKSWQTO-CABCVRRESA-N 1 1 359.386 0.612 20 5 FCBDMO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000825869105 1210410663 /nfs/dbraw/zinc/41/06/63/1210410663.db2.gz PBIXCRNAYRGIIJ-YOEHRIQHSA-N 1 1 362.430 0.913 20 5 FCBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000825869105 1210410665 /nfs/dbraw/zinc/41/06/65/1210410665.db2.gz PBIXCRNAYRGIIJ-YOEHRIQHSA-N 1 1 362.430 0.913 20 5 FCBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000825972748 1210446491 /nfs/dbraw/zinc/44/64/91/1210446491.db2.gz BTXCKPGPHYXDOV-DLBZAZTESA-N 1 1 362.430 0.867 20 5 FCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000547293029 1211452593 /nfs/dbraw/zinc/45/25/93/1211452593.db2.gz JXYQHHOWGOPDCZ-QGZVFWFLSA-N 1 1 364.402 0.228 20 5 FCBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000547293028 1211452820 /nfs/dbraw/zinc/45/28/20/1211452820.db2.gz JXYQHHOWGOPDCZ-KRWDZBQOSA-N 1 1 364.402 0.228 20 5 FCBDMO O=C(c1ccc2c[nH+]cn2c1)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000968999073 1212219423 /nfs/dbraw/zinc/21/94/23/1212219423.db2.gz WJZIZJLWVHUNTK-QKPAOTATSA-N 1 1 369.381 0.815 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC2(CC[NH+](Cc3cccnc3)CC2)C1 ZINC000949092329 1212289271 /nfs/dbraw/zinc/28/92/71/1212289271.db2.gz UZNUZTYASVNLKJ-HZPDHXFCSA-N 1 1 360.414 0.940 20 5 FCBDMO O=C(NCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000949175056 1212313374 /nfs/dbraw/zinc/31/33/74/1212313374.db2.gz ZULLQGCKCAYOEU-HUUCEWRRSA-N 1 1 364.446 0.635 20 5 FCBDMO C[NH+]1CCC(CC(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@@H]3C2)CC1 ZINC000961552349 1214224725 /nfs/dbraw/zinc/22/47/25/1214224725.db2.gz YQZSRGBHWYNHMN-QKPAOTATSA-N 1 1 364.446 0.300 20 5 FCBDMO O=C(C[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000967348832 1215232354 /nfs/dbraw/zinc/23/23/54/1215232354.db2.gz LYFYYYIBACNAGS-QKPAOTATSA-N 1 1 364.446 0.444 20 5 FCBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967951714 1215266611 /nfs/dbraw/zinc/26/66/11/1215266611.db2.gz LFSKUTLGXORMKN-HZPDHXFCSA-N 1 1 371.397 0.981 20 5 FCBDMO CCN(C(=O)C12CCC[NH+](CCC1)C2)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000968089624 1215282308 /nfs/dbraw/zinc/28/23/08/1215282308.db2.gz KWNPIVQBRYPTKG-HUUCEWRRSA-N 1 1 364.446 0.587 20 5 FCBDMO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802231321 1218218324 /nfs/dbraw/zinc/21/83/24/1218218324.db2.gz CROAFUDJAVMTCB-CQSZACIVSA-N 1 1 368.365 0.981 20 5 FCBDMO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802231321 1218218326 /nfs/dbraw/zinc/21/83/26/1218218326.db2.gz CROAFUDJAVMTCB-CQSZACIVSA-N 1 1 368.365 0.981 20 5 FCBDMO CCn1ncc(C[NH2+]C[C@H]2CC[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001048607836 1218295361 /nfs/dbraw/zinc/29/53/61/1218295361.db2.gz NETNTWBNUIFNNE-RRCSTGOVSA-N 1 1 364.450 0.975 20 5 FCBDMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001053837487 1218893541 /nfs/dbraw/zinc/89/35/41/1218893541.db2.gz OQCKTLDUPKNBQQ-YIDVYQOGSA-N 1 1 366.462 0.878 20 5 FCBDMO CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001053837487 1218893542 /nfs/dbraw/zinc/89/35/42/1218893542.db2.gz OQCKTLDUPKNBQQ-YIDVYQOGSA-N 1 1 366.462 0.878 20 5 FCBDMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001053837487 1218893543 /nfs/dbraw/zinc/89/35/43/1218893543.db2.gz OQCKTLDUPKNBQQ-YIDVYQOGSA-N 1 1 366.462 0.878 20 5 FCBDMO CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001053862274 1218893853 /nfs/dbraw/zinc/89/38/53/1218893853.db2.gz MSIRYXYAXNKGMH-YIDVYQOGSA-N 1 1 366.462 0.879 20 5 FCBDMO CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001053862274 1218893857 /nfs/dbraw/zinc/89/38/57/1218893857.db2.gz MSIRYXYAXNKGMH-YIDVYQOGSA-N 1 1 366.462 0.879 20 5 FCBDMO CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001053862274 1218893858 /nfs/dbraw/zinc/89/38/58/1218893858.db2.gz MSIRYXYAXNKGMH-YIDVYQOGSA-N 1 1 366.462 0.879 20 5 FCBDMO CCCC1(C(=O)NC2CC[NH+](CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001055575476 1219085009 /nfs/dbraw/zinc/08/50/09/1219085009.db2.gz WMBUTUJGIVGNQP-HUUCEWRRSA-N 1 1 366.462 0.929 20 5 FCBDMO CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2CC1 ZINC001074342502 1219686208 /nfs/dbraw/zinc/68/62/08/1219686208.db2.gz SVBSVOQCUUGJIB-QKPAOTATSA-N 1 1 366.462 0.689 20 5 FCBDMO CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2CC1 ZINC001074342502 1219686210 /nfs/dbraw/zinc/68/62/10/1219686210.db2.gz SVBSVOQCUUGJIB-QKPAOTATSA-N 1 1 366.462 0.689 20 5 FCBDMO CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2CC1 ZINC001074342502 1219686211 /nfs/dbraw/zinc/68/62/11/1219686211.db2.gz SVBSVOQCUUGJIB-QKPAOTATSA-N 1 1 366.462 0.689 20 5 FCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781637499 1221087041 /nfs/dbraw/zinc/08/70/41/1221087041.db2.gz WJMYZQSHIXABJL-AWEZNQCLSA-N 1 1 365.390 0.798 20 5 FCBDMO COCC[NH+]1CCN(c2nnc(C[N+](=O)[O-])n2C[C@H]2CCCCO2)CC1 ZINC001123276502 1222328339 /nfs/dbraw/zinc/32/83/39/1222328339.db2.gz VUHLDDDHSXYZNF-CQSZACIVSA-N 1 1 368.438 0.392 20 5 FCBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001155156023 1223027262 /nfs/dbraw/zinc/02/72/62/1223027262.db2.gz KXKQTLZQXNOBCI-WCQYABFASA-N 1 1 357.374 0.879 20 5 FCBDMO COC(=O)c1cnc(NCc2cc(=O)n3c(n2)C[NH2+]CCC3)c([N+](=O)[O-])c1 ZINC001155488083 1223036292 /nfs/dbraw/zinc/03/62/92/1223036292.db2.gz YJWZDRJVGKQUBW-UHFFFAOYSA-N 1 1 374.357 0.439 20 5 FCBDMO Cn1ccc(C[N@@H+]2CC=C(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1=O ZINC001160097923 1223145240 /nfs/dbraw/zinc/14/52/40/1223145240.db2.gz QEFSZDRCWNEGCH-HZPDHXFCSA-N 1 1 360.414 0.689 20 5 FCBDMO Cn1ccc(C[N@H+]2CC=C(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1=O ZINC001160097923 1223145243 /nfs/dbraw/zinc/14/52/43/1223145243.db2.gz QEFSZDRCWNEGCH-HZPDHXFCSA-N 1 1 360.414 0.689 20 5 FCBDMO Cn1ccc(C[N@@H+]2CC=C(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1=O ZINC001160097923 1223145247 /nfs/dbraw/zinc/14/52/47/1223145247.db2.gz QEFSZDRCWNEGCH-HZPDHXFCSA-N 1 1 360.414 0.689 20 5 FCBDMO COc1nc(C)c(NCc2cc(=O)n3c(n2)C[NH2+]CCC3)cc1[N+](=O)[O-] ZINC001163117950 1223226489 /nfs/dbraw/zinc/22/64/89/1223226489.db2.gz JNKICTTWPYOCEJ-UHFFFAOYSA-N 1 1 360.374 0.969 20 5 FCBDMO O=C(C[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NC1CCCCC1 ZINC001164490708 1223239105 /nfs/dbraw/zinc/23/91/05/1223239105.db2.gz SRXYQWFSYBWOGE-HUUCEWRRSA-N 1 1 366.462 0.977 20 5 FCBDMO CC(C)(C)NC(=O)NCC[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205224043 1223317831 /nfs/dbraw/zinc/31/78/31/1223317831.db2.gz KHNRNQKXUQKQJI-ZIAGYGMSSA-N 1 1 369.466 0.578 20 5 FCBDMO NC(=O)C[NH+]1CCC(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000915292371 1245519309 /nfs/dbraw/zinc/51/93/09/1245519309.db2.gz HTYLMAVMHZSEBL-UHFFFAOYSA-N 1 1 360.374 0.010 20 5 FCBDMO O=C(N[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000943700151 1247388732 /nfs/dbraw/zinc/38/87/32/1247388732.db2.gz ZVZKXSKKBABHNO-KBUPBQIOSA-N 1 1 364.446 0.824 20 5 FCBDMO CC(C)Cn1ncnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000997766880 1251695669 /nfs/dbraw/zinc/69/56/69/1251695669.db2.gz DMYVTHVIDHEUKA-HUUCEWRRSA-N 1 1 364.450 0.928 20 5 FCBDMO Cn1c(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nnc1C1CC1 ZINC000997770153 1251697627 /nfs/dbraw/zinc/69/76/27/1251697627.db2.gz SRRGHUWEZMBPTD-ZIAGYGMSSA-N 1 1 362.434 0.686 20 5 FCBDMO Cn1cc(CC[N@H+]2CCC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)cn1 ZINC001035186899 1254018107 /nfs/dbraw/zinc/01/81/07/1254018107.db2.gz KNJXMVYXLSYXOM-HZPDHXFCSA-N 1 1 361.446 0.942 20 5 FCBDMO Cn1cc(CC[N@@H+]2CCC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC3)cn1 ZINC001035186899 1254018116 /nfs/dbraw/zinc/01/81/16/1254018116.db2.gz KNJXMVYXLSYXOM-HZPDHXFCSA-N 1 1 361.446 0.942 20 5 FCBDMO Cn1cc(CC[N@H+]2CCC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC3)cn1 ZINC001035186899 1254018124 /nfs/dbraw/zinc/01/81/24/1254018124.db2.gz KNJXMVYXLSYXOM-HZPDHXFCSA-N 1 1 361.446 0.942 20 5 FCBDMO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC001329641415 1265796823 /nfs/dbraw/zinc/79/68/23/1265796823.db2.gz JKALLZQQGTYFNJ-SLEUVZQESA-N 1 1 364.402 0.607 20 5 FCBDMO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC001329641415 1265796829 /nfs/dbraw/zinc/79/68/29/1265796829.db2.gz JKALLZQQGTYFNJ-SLEUVZQESA-N 1 1 364.402 0.607 20 5 FCBDMO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[NH+](C(COC)COC)CC1 ZINC001520820601 1266010385 /nfs/dbraw/zinc/01/03/85/1266010385.db2.gz NVDABIJPLFIAKD-LBPRGKRZSA-N 1 1 356.427 0.419 20 5 FCBDMO CN1CC[NH+](Cc2cccc(CNC(=O)Cn3ccc([N+](=O)[O-])n3)c2)CC1 ZINC001251573695 1259752489 /nfs/dbraw/zinc/75/24/89/1259752489.db2.gz IWKITARKJKGPBD-UHFFFAOYSA-N 1 1 372.429 0.855 20 5 FCBDMO CC(=O)N1CC(=O)NC[C@@]12CC[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254596773 1259890037 /nfs/dbraw/zinc/89/00/37/1259890037.db2.gz RFNZRAXDQFAOQO-SJLPKXTDSA-N 1 1 358.398 0.485 20 5 FCBDMO COC(=O)[C@H](CN)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256087469 1259933416 /nfs/dbraw/zinc/93/34/16/1259933416.db2.gz BIMDMSBLZKYFRC-GFCCVEGCSA-N 1 1 366.418 0.910 20 5 FCBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001258148710 1260037882 /nfs/dbraw/zinc/03/78/82/1260037882.db2.gz CRRNSYGFZYNMDQ-OAHLLOKOSA-N 1 1 360.414 0.854 20 5 FCBDMO C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC001333489641 1266611422 /nfs/dbraw/zinc/61/14/22/1266611422.db2.gz NQPWBDMJBDVSNG-SWLSCSKDSA-N 1 1 356.448 0.649 20 5 FCBDMO C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC001333489641 1266611428 /nfs/dbraw/zinc/61/14/28/1266611428.db2.gz NQPWBDMJBDVSNG-SWLSCSKDSA-N 1 1 356.448 0.649 20 5 FCBDMO C[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC001333489640 1266611729 /nfs/dbraw/zinc/61/17/29/1266611729.db2.gz NQPWBDMJBDVSNG-IUODEOHRSA-N 1 1 356.448 0.649 20 5 FCBDMO C[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC001333489640 1266611741 /nfs/dbraw/zinc/61/17/41/1266611741.db2.gz NQPWBDMJBDVSNG-IUODEOHRSA-N 1 1 356.448 0.649 20 5 FCBDMO O=C(NCCC[NH+]1CCOCC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001321766267 1264055486 /nfs/dbraw/zinc/05/54/86/1264055486.db2.gz AYTFIRYNTUFGPL-UHFFFAOYSA-N 1 1 364.402 0.092 20 5 FCBDMO COc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001321991755 1264124428 /nfs/dbraw/zinc/12/44/28/1264124428.db2.gz NMBGJQRREDLOSD-AAEUAGOBSA-N 1 1 364.402 0.819 20 5 FCBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001324092496 1264574998 /nfs/dbraw/zinc/57/49/98/1264574998.db2.gz RDSGXLKZQNONAW-WFASDCNBSA-N 1 1 360.414 0.852 20 5 FCBDMO O=Cc1ccc(OCC(=O)NC[C@H]2CCC[N@@H+]2CCCO)c([N+](=O)[O-])c1 ZINC001324823751 1264709310 /nfs/dbraw/zinc/70/93/10/1264709310.db2.gz ZMQHSLPZDRPNAY-CQSZACIVSA-N 1 1 365.386 0.749 20 5 FCBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC(=O)N2CC[NH+](C)CC2)c1F ZINC001529212396 1267044467 /nfs/dbraw/zinc/04/44/67/1267044467.db2.gz GQULAHUFWSZFOO-UHFFFAOYSA-N 1 1 356.329 0.685 20 5 FCBDMO CN(C)c1[nH+]cc(CNC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])n1C ZINC001341985879 1269291172 /nfs/dbraw/zinc/29/11/72/1269291172.db2.gz BNPLXZPIOQGYNU-UHFFFAOYSA-N 1 1 374.401 0.669 20 5 FCBDMO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001342900270 1269668858 /nfs/dbraw/zinc/66/88/58/1269668858.db2.gz TTYVRMJUHRZDFO-HNNXBMFYSA-N 1 1 360.414 0.950 20 5 FCBDMO CN(CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001579137209 1276838460 /nfs/dbraw/zinc/83/84/60/1276838460.db2.gz XLSLJOKEDQNBMQ-ZIAGYGMSSA-N 1 1 359.390 0.422 20 5 FCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001582803683 1282029530 /nfs/dbraw/zinc/02/95/30/1282029530.db2.gz QNXOCQSZQMIPCX-RYUDHWBXSA-N 1 1 360.378 0.205 20 5 FCBDMO C[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC001590316367 1283460469 /nfs/dbraw/zinc/46/04/69/1283460469.db2.gz LDPDQECEGUTDDT-SNVBAGLBSA-N 1 1 362.394 0.451 20 5 FCBDMO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001591003238 1284062553 /nfs/dbraw/zinc/06/25/53/1284062553.db2.gz NHUIKJFTOKPWIC-CYBMUJFWSA-N 1 1 374.405 0.963 20 5 FCBDMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001591003238 1284062563 /nfs/dbraw/zinc/06/25/63/1284062563.db2.gz NHUIKJFTOKPWIC-CYBMUJFWSA-N 1 1 374.405 0.963 20 5 FCBDMO CN1CCN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC001591192211 1284311981 /nfs/dbraw/zinc/31/19/81/1284311981.db2.gz UAGSLAJLLYPEMI-UHFFFAOYSA-N 1 1 360.422 0.454 20 5 FCBDMO Nc1cc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001592759450 1285681547 /nfs/dbraw/zinc/68/15/47/1285681547.db2.gz BGQKBCRLZFZGGG-LBPRGKRZSA-N 1 1 374.405 0.393 20 5 FCBDMO Nc1[nH+]c(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1-c1nn[nH]n1 ZINC001592762414 1285684619 /nfs/dbraw/zinc/68/46/19/1285684619.db2.gz ZJMCBZCUSNFCBO-UHFFFAOYSA-N 1 1 356.350 0.790 20 5 FCBDMO O=C([O-])[C@H]1C[NH2+]CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC001601852976 1286854036 /nfs/dbraw/zinc/85/40/36/1286854036.db2.gz QVNYDBZKNBCYBH-CYBMUJFWSA-N 1 1 364.358 0.641 20 5 FCBDMO O=C([O-])[C@H]1C[NH2+]CCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC001601852976 1286854050 /nfs/dbraw/zinc/85/40/50/1286854050.db2.gz QVNYDBZKNBCYBH-CYBMUJFWSA-N 1 1 364.358 0.641 20 5 FCBDMO Nc1[nH+]ccc2c1CN(c1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1)CC2 ZINC001606456692 1288327961 /nfs/dbraw/zinc/32/79/61/1288327961.db2.gz OYHNJIQSQAZNIJ-UHFFFAOYSA-N 1 1 353.346 0.897 20 5 FCBDMO O=C1CC[C@@H]2C[N@@H+](Cc3c(-c4nn[nH]n4)cccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC001607043796 1288612372 /nfs/dbraw/zinc/61/23/72/1288612372.db2.gz KKHWPGDJZDFVLZ-MFKMUULPSA-N 1 1 357.374 0.875 20 5 FCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)c1-c1nn[nH]n1 ZINC001609602924 1289258866 /nfs/dbraw/zinc/25/88/66/1289258866.db2.gz PKAAMCRXESWJEP-SECBINFHSA-N 1 1 367.391 0.195 20 5 FCBDMO CN(CC1CC1)C(=O)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001692011184 1289362371 /nfs/dbraw/zinc/36/23/71/1289362371.db2.gz JIQUNOZUYYBZPO-HZPDHXFCSA-N 1 1 366.462 0.690 20 5 FCBDMO CN(CC1CC1)C(=O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001692011184 1289362383 /nfs/dbraw/zinc/36/23/83/1289362383.db2.gz JIQUNOZUYYBZPO-HZPDHXFCSA-N 1 1 366.462 0.690 20 5 FCBDMO CN(CC1CC1)C(=O)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001692011184 1289362399 /nfs/dbraw/zinc/36/23/99/1289362399.db2.gz JIQUNOZUYYBZPO-HZPDHXFCSA-N 1 1 366.462 0.690 20 5 FCBDMO 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CC[N@H+](C)CCC(=O)NCCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001688827946 1294539593 /nfs/dbraw/zinc/53/95/93/1294539593.db2.gz RMVXWQFHHIEZSN-HUUCEWRRSA-N 1 1 354.451 0.738 20 5 FCBDMO CC[N@@H+](C)CCC(=O)NCCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001688827946 1294539602 /nfs/dbraw/zinc/53/96/02/1294539602.db2.gz RMVXWQFHHIEZSN-HUUCEWRRSA-N 1 1 354.451 0.738 20 5 FCBDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cccc([N+](=O)[O-])n3)C2)C1 ZINC001164718853 720224425 /nfs/dbraw/zinc/22/44/25/720224425.db2.gz NGKIVXUJJRIWJQ-QGZVFWFLSA-N 1 1 363.418 0.655 20 5 FCBDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cccc([N+](=O)[O-])n3)C2)C1 ZINC001164718853 720224428 /nfs/dbraw/zinc/22/44/28/720224428.db2.gz NGKIVXUJJRIWJQ-QGZVFWFLSA-N 1 1 363.418 0.655 20 5 FCBDMO Nc1nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164741428 720719937 /nfs/dbraw/zinc/71/99/37/720719937.db2.gz TUMXVNVCQFBLRG-NEPJUHHUSA-N 1 1 357.374 0.704 20 5 FCBDMO COCC[N@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])c(OC)n3)CC[C@H]2C1 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358.439 0.071 20 5 FCBDMO CC(C)N(C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(C)C ZINC001200462031 853499113 /nfs/dbraw/zinc/49/91/13/853499113.db2.gz QJPYJPZPNDUSEY-HUUCEWRRSA-N 1 1 354.451 0.878 20 5 FCBDMO O=C(C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NC1CCCC1 ZINC001205223811 853601327 /nfs/dbraw/zinc/60/13/27/853601327.db2.gz IWKDBTXCNHCGTP-HUUCEWRRSA-N 1 1 352.435 0.539 20 5 FCBDMO COC(=O)c1cc([N+](=O)[O-])c(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1O ZINC001228811162 857231325 /nfs/dbraw/zinc/23/13/25/857231325.db2.gz NNMZHZUKPNFYSE-SECBINFHSA-O 1 1 357.339 0.450 20 5 FCBDMO CNC(=O)c1ccc(NCC[N@@H+]2CCC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC001307214681 866649069 /nfs/dbraw/zinc/64/90/69/866649069.db2.gz PGXDMJIIGUWQII-UHFFFAOYSA-N 1 1 350.375 0.815 20 5 FCBDMO CNC(=O)c1ccc(NCC[N@H+]2CCC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC001307214681 866649076 /nfs/dbraw/zinc/64/90/76/866649076.db2.gz PGXDMJIIGUWQII-UHFFFAOYSA-N 1 1 350.375 0.815 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](C)C[C@@H]1CO ZINC001307946809 866686755 /nfs/dbraw/zinc/68/67/55/866686755.db2.gz ZIJUBYUBUJGUGI-CYBMUJFWSA-N 1 1 352.391 0.540 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(C)C[C@@H]1CO ZINC001307946809 866686763 /nfs/dbraw/zinc/68/67/63/866686763.db2.gz ZIJUBYUBUJGUGI-CYBMUJFWSA-N 1 1 352.391 0.540 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)C[C@@H]1CO ZINC001307946809 866686771 /nfs/dbraw/zinc/68/67/71/866686771.db2.gz ZIJUBYUBUJGUGI-CYBMUJFWSA-N 1 1 352.391 0.540 20 5 FCBDMO C[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC001353287710 867387573 /nfs/dbraw/zinc/38/75/73/867387573.db2.gz LQZAYOLSMVIBMV-ZBFHGGJFSA-N 1 1 352.435 0.560 20 5 FCBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001332322232 873454496 /nfs/dbraw/zinc/45/44/96/873454496.db2.gz GPBVXKVCRVAVEC-JSGCOSHPSA-N 1 1 356.448 0.816 20 5 FCBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C 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ILPASGYQRQTKTH-UHFFFAOYSA-N 1 1 364.402 0.886 20 5 FCBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000265335198 210098606 /nfs/dbraw/zinc/09/86/06/210098606.db2.gz HJVNVMNNIVVVNW-CABCVRRESA-N 1 1 355.416 0.182 20 5 FCBDMO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000264924847 210017810 /nfs/dbraw/zinc/01/78/10/210017810.db2.gz LLLKFAADZGKUKR-GFCCVEGCSA-N 1 1 351.363 0.787 20 5 FCBDMO C[C@@H]1[C@H](C)N(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000332303140 215126935 /nfs/dbraw/zinc/12/69/35/215126935.db2.gz FLIHKWCYEZRRIY-NEPJUHHUSA-N 1 1 362.386 0.871 20 5 FCBDMO CCNC(=O)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000285744751 213387309 /nfs/dbraw/zinc/38/73/09/213387309.db2.gz WDRHQRHOCCKHKP-GXTWGEPZSA-N 1 1 355.395 0.753 20 5 FCBDMO COC(=O)[C@]12C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]1CCCC2 ZINC000284806220 213224049 /nfs/dbraw/zinc/22/40/49/213224049.db2.gz OZNAZUACLHRIFT-IVMMDQJWSA-N 1 1 352.391 0.817 20 5 FCBDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000363491042 215538144 /nfs/dbraw/zinc/53/81/44/215538144.db2.gz VLHWWFAMBBGYNA-CYBMUJFWSA-N 1 1 356.404 0.547 20 5 FCBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000284137945 213082579 /nfs/dbraw/zinc/08/25/79/213082579.db2.gz VWINKGVVIXHKJF-UHFFFAOYSA-N 1 1 364.402 0.887 20 5 FCBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)CN1CC[NH+](C)CC1 ZINC000283827546 213013374 /nfs/dbraw/zinc/01/33/74/213013374.db2.gz FYFDXIMHOQVYIH-NSHDSACASA-N 1 1 353.398 0.929 20 5 FCBDMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000367095904 216075485 /nfs/dbraw/zinc/07/54/85/216075485.db2.gz DULOYBQIDSVERU-QGZVFWFLSA-N 1 1 359.430 0.633 20 5 FCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000245582207 209369610 /nfs/dbraw/zinc/36/96/10/209369610.db2.gz JVUNIXBAVOZSRA-WBVHZDCISA-N 1 1 373.413 0.791 20 5 FCBDMO O=C1CC[C@@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]2N1C1CC1 ZINC000246285325 209383302 /nfs/dbraw/zinc/38/33/02/209383302.db2.gz NYVJHROPGDIRDF-WQVCFCJDSA-N 1 1 363.418 0.628 20 5 FCBDMO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000193687490 209317337 /nfs/dbraw/zinc/31/73/37/209317337.db2.gz PCPJNWZOWKHWAR-GFCCVEGCSA-N 1 1 374.401 0.931 20 5 FCBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000368855555 216309164 /nfs/dbraw/zinc/30/91/64/216309164.db2.gz KZQDMBVWLVUEQE-UONOGXRCSA-N 1 1 355.416 0.877 20 5 FCBDMO [NH3+]CC(F)(F)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000190270076 209268774 /nfs/dbraw/zinc/26/87/74/209268774.db2.gz UXZHCZWEWZETBX-MRVPVSSYSA-N 1 1 362.358 0.971 20 5 FCBDMO C[C@@H](O)C[N@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000189563258 209255460 /nfs/dbraw/zinc/25/54/60/209255460.db2.gz ZTBWNGUGMZJKBS-LZWOXQAQSA-N 1 1 353.419 0.721 20 5 FCBDMO C[C@@H](O)C[N@H+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000189545391 209254517 /nfs/dbraw/zinc/25/45/17/209254517.db2.gz HVFKKBIEMCELJQ-ZIAGYGMSSA-N 1 1 350.419 0.945 20 5 FCBDMO C[C@@H](O)C[N@H+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000189545414 209253989 /nfs/dbraw/zinc/25/39/89/209253989.db2.gz HVFKKBIEMCELJQ-UONOGXRCSA-N 1 1 350.419 0.945 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000277607315 212379383 /nfs/dbraw/zinc/37/93/83/212379383.db2.gz PMFJSGHHBJOHBF-ZDUSSCGKSA-N 1 1 350.375 0.673 20 5 FCBDMO C[C@H]1C[N@@H+](CCCNC(=O)NCCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000277320606 212349302 /nfs/dbraw/zinc/34/93/02/212349302.db2.gz CDJONFYTXQCILY-ZDUSSCGKSA-N 1 1 354.411 0.591 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000277382484 212355930 /nfs/dbraw/zinc/35/59/30/212355930.db2.gz FDNKSTQDOQOQDD-UHFFFAOYSA-N 1 1 364.402 0.886 20 5 FCBDMO CCOc1cc(C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000276905818 212306508 /nfs/dbraw/zinc/30/65/08/212306508.db2.gz MJYKOIGPVOQRAB-ZDUSSCGKSA-N 1 1 372.447 0.999 20 5 FCBDMO CCOc1cc(C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000276905818 212306512 /nfs/dbraw/zinc/30/65/12/212306512.db2.gz MJYKOIGPVOQRAB-ZDUSSCGKSA-N 1 1 372.447 0.999 20 5 FCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000276627994 212267853 /nfs/dbraw/zinc/26/78/53/212267853.db2.gz PAHBEPQIQQEITB-QWHCGFSZSA-N 1 1 364.402 0.238 20 5 FCBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186618218 209194664 /nfs/dbraw/zinc/19/46/64/209194664.db2.gz KXNUVCLXOICJMK-GFCCVEGCSA-N 1 1 350.350 0.770 20 5 FCBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186616198 209194448 /nfs/dbraw/zinc/19/44/48/209194448.db2.gz UIWLAWTUWJQRKH-CYBMUJFWSA-N 1 1 361.402 0.430 20 5 FCBDMO Cc1nn(CCC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000186984652 209204591 /nfs/dbraw/zinc/20/45/91/209204591.db2.gz JWPNXUCCJCJVQL-NWDGAFQWSA-N 1 1 353.423 0.712 20 5 FCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H](C)C1 ZINC000276377637 212223963 /nfs/dbraw/zinc/22/39/63/212223963.db2.gz PWEIQLIPYPKCFX-NSHDSACASA-N 1 1 350.375 0.886 20 5 FCBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H](C)C1 ZINC000276377637 212223966 /nfs/dbraw/zinc/22/39/66/212223966.db2.gz PWEIQLIPYPKCFX-NSHDSACASA-N 1 1 350.375 0.886 20 5 FCBDMO C[C@@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000275596676 212057730 /nfs/dbraw/zinc/05/77/30/212057730.db2.gz RYIAILPIXWLYDF-LLVKDONJSA-N 1 1 372.447 0.524 20 5 FCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000185682875 209179059 /nfs/dbraw/zinc/17/90/59/209179059.db2.gz AOHTVVAMDMIRAJ-HIFRSBDPSA-N 1 1 371.397 0.937 20 5 FCBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000373675072 217043734 /nfs/dbraw/zinc/04/37/34/217043734.db2.gz RGTSDYFLOLPJPS-VXGBXAGGSA-N 1 1 356.404 0.517 20 5 FCBDMO CN1CCN(CCC[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182290415 209129609 /nfs/dbraw/zinc/12/96/09/209129609.db2.gz JPHRMRWJFUIQBB-INIZCTEOSA-N 1 1 366.462 0.904 20 5 FCBDMO CN1CCN(CCC[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182290415 209129611 /nfs/dbraw/zinc/12/96/11/209129611.db2.gz JPHRMRWJFUIQBB-INIZCTEOSA-N 1 1 366.462 0.904 20 5 FCBDMO [NH3+]CC(F)(F)CNC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418521775 245795264 /nfs/dbraw/zinc/79/52/64/245795264.db2.gz HJFZZYDAIZDEOC-UHFFFAOYSA-N 1 1 371.344 0.656 20 5 FCBDMO NS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273415280 211711534 /nfs/dbraw/zinc/71/15/34/211711534.db2.gz YDAGKMRRKNFLNO-QWHCGFSZSA-N 1 1 373.431 0.335 20 5 FCBDMO COC(=O)c1cnc([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000424729501 247272192 /nfs/dbraw/zinc/27/21/92/247272192.db2.gz MBFDORIKTUWKHD-PSASIEDQSA-N 1 1 355.376 0.746 20 5 FCBDMO CCOC(=O)CNC(=O)C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000441070003 248236136 /nfs/dbraw/zinc/23/61/36/248236136.db2.gz UWJVUCXPDJLKIJ-UHFFFAOYSA-N 1 1 353.379 0.220 20 5 FCBDMO Cc1nn(CCC(=O)NC[C@@H]2CCC[N@H+]2CCCO)c(C)c1[N+](=O)[O-] ZINC000452347085 249310074 /nfs/dbraw/zinc/31/00/74/249310074.db2.gz IBDONGHAHQGEEA-AWEZNQCLSA-N 1 1 353.423 0.761 20 5 FCBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000453808103 249372544 /nfs/dbraw/zinc/37/25/44/249372544.db2.gz QIJCHGLQVDUURN-CQSZACIVSA-N 1 1 350.375 0.496 20 5 FCBDMO CCC[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1CCOC ZINC000271026848 211319670 /nfs/dbraw/zinc/31/96/70/211319670.db2.gz ZZAPJUCLHSGNSC-CQSZACIVSA-N 1 1 366.418 0.716 20 5 FCBDMO CCC[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000270957789 211305744 /nfs/dbraw/zinc/30/57/44/211305744.db2.gz NACTWIGGEDHBBP-AWEZNQCLSA-N 1 1 366.418 0.716 20 5 FCBDMO CCC[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000270957789 211305746 /nfs/dbraw/zinc/30/57/46/211305746.db2.gz NACTWIGGEDHBBP-AWEZNQCLSA-N 1 1 366.418 0.716 20 5 FCBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270356544 211190441 /nfs/dbraw/zinc/19/04/41/211190441.db2.gz QASSATMUUCSVOY-OAHLLOKOSA-N 1 1 363.418 0.776 20 5 FCBDMO COC(=O)c1cc(C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)cc([N+](=O)[O-])c1 ZINC000470072152 250023535 /nfs/dbraw/zinc/02/35/35/250023535.db2.gz NVCANDBLSVZNNH-LBPRGKRZSA-N 1 1 365.386 0.910 20 5 FCBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000472599658 250165361 /nfs/dbraw/zinc/16/53/61/250165361.db2.gz NTENILQMCKDXOV-QWRGUYRKSA-N 1 1 368.365 0.586 20 5 FCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000472599658 250165364 /nfs/dbraw/zinc/16/53/64/250165364.db2.gz NTENILQMCKDXOV-QWRGUYRKSA-N 1 1 368.365 0.586 20 5 FCBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000481808761 250364031 /nfs/dbraw/zinc/36/40/31/250364031.db2.gz DHAIZGIMMZSVBO-QGZVFWFLSA-N 1 1 359.386 0.695 20 5 FCBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000481323094 250331809 /nfs/dbraw/zinc/33/18/09/250331809.db2.gz OJKSWFFTXRDMFD-UHFFFAOYSA-N 1 1 374.405 0.060 20 5 FCBDMO CN(C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1)S(C)(=O)=O ZINC000269670491 211041050 /nfs/dbraw/zinc/04/10/50/211041050.db2.gz UJQZGVXNXIIENO-HNNXBMFYSA-N 1 1 357.432 0.984 20 5 FCBDMO CN(C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1)S(C)(=O)=O ZINC000269670494 211040396 /nfs/dbraw/zinc/04/03/96/211040396.db2.gz UJQZGVXNXIIENO-OAHLLOKOSA-N 1 1 357.432 0.984 20 5 FCBDMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269640909 211031797 /nfs/dbraw/zinc/03/17/97/211031797.db2.gz JAFHKLSIQGGZER-FZMZJTMJSA-N 1 1 358.420 0.133 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000411756663 532987127 /nfs/dbraw/zinc/98/71/27/532987127.db2.gz KFSNSCVEAGVQOV-LLVKDONJSA-N 1 1 364.358 0.097 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000411756663 532987128 /nfs/dbraw/zinc/98/71/28/532987128.db2.gz KFSNSCVEAGVQOV-LLVKDONJSA-N 1 1 364.358 0.097 20 5 FCBDMO C[C@@H]1CN=C(N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)S1 ZINC000079496983 208091288 /nfs/dbraw/zinc/09/12/88/208091288.db2.gz QLMMJYXVCIHYDR-DGCLKSJQSA-N 1 1 354.436 0.261 20 5 FCBDMO CN(C)CCNS(=O)(=O)c1ccc(N(C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000080684719 208093978 /nfs/dbraw/zinc/09/39/78/208093978.db2.gz DSDAQTCFROVYRL-UHFFFAOYSA-N 1 1 373.479 0.433 20 5 FCBDMO C[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[NH+](C)CC1 ZINC000101627968 208165632 /nfs/dbraw/zinc/16/56/32/208165632.db2.gz LULXZXKNUKISGO-OAHLLOKOSA-N 1 1 361.446 0.879 20 5 FCBDMO C[C@@H](O)C[N@H+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000106098845 208209766 /nfs/dbraw/zinc/20/97/66/208209766.db2.gz WRFBCZBFYROOIV-ZIAGYGMSSA-N 1 1 362.430 0.871 20 5 FCBDMO Cc1nn(C)c(C(=O)NCC2CCN(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000114381403 208311207 /nfs/dbraw/zinc/31/12/07/208311207.db2.gz XFWLRPSSLZHCIV-UHFFFAOYSA-N 1 1 352.439 0.640 20 5 FCBDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000266521827 210349598 /nfs/dbraw/zinc/34/95/98/210349598.db2.gz AQMDCQGCCYEZGA-NSHDSACASA-N 1 1 366.374 0.379 20 5 FCBDMO CC(C)COC(=O)N1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000266516063 210348753 /nfs/dbraw/zinc/34/87/53/210348753.db2.gz GLTYCPPLXRRKIH-HNNXBMFYSA-N 1 1 369.422 0.953 20 5 FCBDMO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000278273590 488864761 /nfs/dbraw/zinc/86/47/61/488864761.db2.gz JJZOAYBQHVUJSO-WFASDCNBSA-N 1 1 367.402 0.540 20 5 FCBDMO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000278273590 488864763 /nfs/dbraw/zinc/86/47/63/488864763.db2.gz JJZOAYBQHVUJSO-WFASDCNBSA-N 1 1 367.402 0.540 20 5 FCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(F)c1 ZINC000363690630 488873669 /nfs/dbraw/zinc/87/36/69/488873669.db2.gz IVZHBDNKUPPBAG-RYUDHWBXSA-N 1 1 359.379 0.875 20 5 FCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c(F)c1 ZINC000363690630 488873672 /nfs/dbraw/zinc/87/36/72/488873672.db2.gz IVZHBDNKUPPBAG-RYUDHWBXSA-N 1 1 359.379 0.875 20 5 FCBDMO C[C@@H](C[NH+](C)C)NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000287820535 488909861 /nfs/dbraw/zinc/90/98/61/488909861.db2.gz BOXOEMMNLGQJPE-NSHDSACASA-N 1 1 358.420 0.618 20 5 FCBDMO CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[NH+]1CCOCC1 ZINC000026065433 487677394 /nfs/dbraw/zinc/67/73/94/487677394.db2.gz HWFVDLKTDFYLRW-LBPRGKRZSA-N 1 1 352.391 0.760 20 5 FCBDMO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1nccn1C ZINC000183283351 488391941 /nfs/dbraw/zinc/39/19/41/488391941.db2.gz FMVCFEDGDNHAMT-LLVKDONJSA-N 1 1 353.404 0.957 20 5 FCBDMO C[NH+](C)CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000268164203 488392052 /nfs/dbraw/zinc/39/20/52/488392052.db2.gz IQNPCWBBHLYMCQ-GFCCVEGCSA-N 1 1 373.406 0.925 20 5 FCBDMO Cc1n[nH]c(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000089962361 488459479 /nfs/dbraw/zinc/45/94/79/488459479.db2.gz FAFQSEGQRVFPEC-ZIAGYGMSSA-N 1 1 359.386 0.992 20 5 FCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000245871432 488466812 /nfs/dbraw/zinc/46/68/12/488466812.db2.gz GWIPBERGLLEFOC-LSDHHAIUSA-N 1 1 373.413 0.941 20 5 FCBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000269138014 488473007 /nfs/dbraw/zinc/47/30/07/488473007.db2.gz KUEHGAAMYLHLKM-GFCCVEGCSA-N 1 1 370.431 0.401 20 5 FCBDMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269203024 488478873 /nfs/dbraw/zinc/47/88/73/488478873.db2.gz RYSPQQJGBILVAA-OAHLLOKOSA-N 1 1 364.402 0.973 20 5 FCBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269203024 488478876 /nfs/dbraw/zinc/47/88/76/488478876.db2.gz RYSPQQJGBILVAA-OAHLLOKOSA-N 1 1 364.402 0.973 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000101696814 488496157 /nfs/dbraw/zinc/49/61/57/488496157.db2.gz NVKVGCBRONVKGM-ZDUSSCGKSA-N 1 1 366.422 0.159 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000104792689 488505967 /nfs/dbraw/zinc/50/59/67/488505967.db2.gz QASZKFJXRSDITK-AWEZNQCLSA-N 1 1 363.418 0.981 20 5 FCBDMO C[C@H](O)C[N@H+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000249091163 488506335 /nfs/dbraw/zinc/50/63/35/488506335.db2.gz UQSHOMFMHJJKBN-KBPBESRZSA-N 1 1 362.430 0.871 20 5 FCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000249161367 488506920 /nfs/dbraw/zinc/50/69/20/488506920.db2.gz YYBZGSUAKQRSMQ-KBPBESRZSA-N 1 1 350.419 0.945 20 5 FCBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000110865765 488527352 /nfs/dbraw/zinc/52/73/52/488527352.db2.gz SZIRUNZOYQYTON-UHFFFAOYSA-N 1 1 352.439 0.622 20 5 FCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000271604488 488530214 /nfs/dbraw/zinc/53/02/14/488530214.db2.gz BGQRQMBBUZGRJI-GFCCVEGCSA-N 1 1 368.394 0.070 20 5 FCBDMO COC(=O)CC[N@H+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000271604488 488530215 /nfs/dbraw/zinc/53/02/15/488530215.db2.gz BGQRQMBBUZGRJI-GFCCVEGCSA-N 1 1 368.394 0.070 20 5 FCBDMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000262310549 488563056 /nfs/dbraw/zinc/56/30/56/488563056.db2.gz QJZQCYFFQGAXKA-DOMZBBRYSA-N 1 1 362.386 0.256 20 5 FCBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000121404451 488567931 /nfs/dbraw/zinc/56/79/31/488567931.db2.gz UVJYXIGJVWELHF-ZDUSSCGKSA-N 1 1 363.418 0.512 20 5 FCBDMO C[C@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000125356083 488600382 /nfs/dbraw/zinc/60/03/82/488600382.db2.gz HWVMXCWYHBUROH-CYBMUJFWSA-N 1 1 363.418 0.077 20 5 FCBDMO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000272807805 488607262 /nfs/dbraw/zinc/60/72/62/488607262.db2.gz BNLZAKASXSTPSK-UHFFFAOYSA-N 1 1 368.390 0.626 20 5 FCBDMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000272893912 488615191 /nfs/dbraw/zinc/61/51/91/488615191.db2.gz ZDEKAZNKRWBFFS-UHFFFAOYSA-N 1 1 365.390 0.935 20 5 FCBDMO COC(=O)C1(O)CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273149252 488634707 /nfs/dbraw/zinc/63/47/07/488634707.db2.gz LPNIMFNCVNNUNK-GFCCVEGCSA-N 1 1 354.359 0.334 20 5 FCBDMO CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273241358 488639594 /nfs/dbraw/zinc/63/95/94/488639594.db2.gz XIRQHCMRSYHBGI-QWHCGFSZSA-N 1 1 373.431 0.348 20 5 FCBDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273241358 488639596 /nfs/dbraw/zinc/63/95/96/488639596.db2.gz XIRQHCMRSYHBGI-QWHCGFSZSA-N 1 1 373.431 0.348 20 5 FCBDMO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000131982738 488649520 /nfs/dbraw/zinc/64/95/20/488649520.db2.gz HMWMNNWWTWQLTG-SNVBAGLBSA-N 1 1 360.374 0.398 20 5 FCBDMO Cc1nn(CCC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000264454088 488675147 /nfs/dbraw/zinc/67/51/47/488675147.db2.gz QMKRKPFDPGYSER-LBPRGKRZSA-N 1 1 352.439 0.550 20 5 FCBDMO COCC[N@@H+](C)CCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000264488731 488678489 /nfs/dbraw/zinc/67/84/89/488678489.db2.gz NKWOAWLFNGSGTG-UHFFFAOYSA-N 1 1 372.809 0.672 20 5 FCBDMO CC(C)(C)[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(N)=O ZINC000264547714 488684117 /nfs/dbraw/zinc/68/41/17/488684117.db2.gz GYXSAPJYPFNVHU-CYBMUJFWSA-N 1 1 352.347 0.752 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000264562198 488685671 /nfs/dbraw/zinc/68/56/71/488685671.db2.gz VECZPJJMBZLZPC-LLVKDONJSA-N 1 1 358.420 0.609 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000264562198 488685673 /nfs/dbraw/zinc/68/56/73/488685673.db2.gz VECZPJJMBZLZPC-LLVKDONJSA-N 1 1 358.420 0.609 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000264571115 488686492 /nfs/dbraw/zinc/68/64/92/488686492.db2.gz SEKNSEMSTFQZKI-NSHDSACASA-N 1 1 353.354 0.386 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000264606135 488689648 /nfs/dbraw/zinc/68/96/48/488689648.db2.gz OPDSXQQTPNQLGM-HNNXBMFYSA-N 1 1 363.418 0.776 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264617322 488691061 /nfs/dbraw/zinc/69/10/61/488691061.db2.gz QZAKSDPGOFCEDP-CQSZACIVSA-N 1 1 370.431 0.354 20 5 FCBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264617322 488691063 /nfs/dbraw/zinc/69/10/63/488691063.db2.gz QZAKSDPGOFCEDP-CQSZACIVSA-N 1 1 370.431 0.354 20 5 FCBDMO COc1cc(OCC(=O)NC[C@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000264728954 488704185 /nfs/dbraw/zinc/70/41/85/488704185.db2.gz IMNSQCKGCUARMZ-LBPRGKRZSA-N 1 1 352.391 0.344 20 5 FCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000264735415 488704610 /nfs/dbraw/zinc/70/46/10/488704610.db2.gz JQWZKPRHKYSKEB-DOMZBBRYSA-N 1 1 363.418 0.075 20 5 FCBDMO Cc1c(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000264758056 488707812 /nfs/dbraw/zinc/70/78/12/488707812.db2.gz NPXKYLADWMKSJB-HNNXBMFYSA-N 1 1 373.417 0.460 20 5 FCBDMO Cc1c(C(=O)NC[C@H]2C[N@H+](C)CCN2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000264758056 488707813 /nfs/dbraw/zinc/70/78/13/488707813.db2.gz NPXKYLADWMKSJB-HNNXBMFYSA-N 1 1 373.417 0.460 20 5 FCBDMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000274437189 488707945 /nfs/dbraw/zinc/70/79/45/488707945.db2.gz KYOWJHYMWBXWEC-UHFFFAOYSA-N 1 1 358.782 0.617 20 5 FCBDMO C[C@H](O)C[NH+]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000275047753 488756239 /nfs/dbraw/zinc/75/62/39/488756239.db2.gz JJMJHSOGBJCYNI-NSHDSACASA-N 1 1 366.374 0.260 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[NH+](C[C@H](C)O)CC1 ZINC000275046248 488756248 /nfs/dbraw/zinc/75/62/48/488756248.db2.gz IYQGFCGUCSGJAZ-QWHCGFSZSA-N 1 1 366.418 0.929 20 5 FCBDMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267088370 488760417 /nfs/dbraw/zinc/76/04/17/488760417.db2.gz OWBQTYHEIZBSNW-CYBMUJFWSA-N 1 1 367.406 0.525 20 5 FCBDMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267088370 488760419 /nfs/dbraw/zinc/76/04/19/488760419.db2.gz OWBQTYHEIZBSNW-CYBMUJFWSA-N 1 1 367.406 0.525 20 5 FCBDMO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000267564085 488798100 /nfs/dbraw/zinc/79/81/00/488798100.db2.gz BLFSBWMFUIBXRJ-MRXNPFEDSA-N 1 1 366.418 0.183 20 5 FCBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H](O)CN1CCOCC1 ZINC000267601863 488803061 /nfs/dbraw/zinc/80/30/61/488803061.db2.gz LUFRPTSWHSBYIS-INIZCTEOSA-N 1 1 367.402 0.586 20 5 FCBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H](O)CN1CCOCC1 ZINC000267601863 488803063 /nfs/dbraw/zinc/80/30/63/488803063.db2.gz LUFRPTSWHSBYIS-INIZCTEOSA-N 1 1 367.402 0.586 20 5 FCBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000267662669 488810360 /nfs/dbraw/zinc/81/03/60/488810360.db2.gz ZRSKZEQQINUJEV-UONOGXRCSA-N 1 1 366.418 0.547 20 5 FCBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000267662669 488810362 /nfs/dbraw/zinc/81/03/62/488810362.db2.gz ZRSKZEQQINUJEV-UONOGXRCSA-N 1 1 366.418 0.547 20 5 FCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000174287149 488848242 /nfs/dbraw/zinc/84/82/42/488848242.db2.gz HHQVYSZFXIGBCW-VXGBXAGGSA-N 1 1 374.397 0.963 20 5 FCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000174287149 488848243 /nfs/dbraw/zinc/84/82/43/488848243.db2.gz HHQVYSZFXIGBCW-VXGBXAGGSA-N 1 1 374.397 0.963 20 5 FCBDMO CCc1ccc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000176487567 488858337 /nfs/dbraw/zinc/85/83/37/488858337.db2.gz JXMCPMZWOJKUGY-KRWDZBQOSA-N 1 1 351.403 0.970 20 5 FCBDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000288620423 488997750 /nfs/dbraw/zinc/99/77/50/488997750.db2.gz MHPWNLGBAKZBQO-UHFFFAOYSA-N 1 1 372.491 0.940 20 5 FCBDMO CN(CCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000288620423 488997752 /nfs/dbraw/zinc/99/77/52/488997752.db2.gz MHPWNLGBAKZBQO-UHFFFAOYSA-N 1 1 372.491 0.940 20 5 FCBDMO Cc1c(C(=O)NCC[N@H+]2CC=CCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000280369478 489002110 /nfs/dbraw/zinc/00/21/10/489002110.db2.gz YWUOLVASSRZNNS-UHFFFAOYSA-N 1 1 368.415 0.542 20 5 FCBDMO Cc1c(C(=O)NCC[N@@H+]2CC=CCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000280369478 489002114 /nfs/dbraw/zinc/00/21/14/489002114.db2.gz YWUOLVASSRZNNS-UHFFFAOYSA-N 1 1 368.415 0.542 20 5 FCBDMO O=C1N[C@H]2CC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]2CO1 ZINC000281513897 489082146 /nfs/dbraw/zinc/08/21/46/489082146.db2.gz YWSDHEJFQCVRSJ-AGIUHOORSA-N 1 1 351.359 0.765 20 5 FCBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000281517157 489082457 /nfs/dbraw/zinc/08/24/57/489082457.db2.gz IDCPYCNRCYWVFF-STQMWFEESA-N 1 1 365.386 0.700 20 5 FCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000281517157 489082459 /nfs/dbraw/zinc/08/24/59/489082459.db2.gz IDCPYCNRCYWVFF-STQMWFEESA-N 1 1 365.386 0.700 20 5 FCBDMO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)NCC(=O)N1CCCC1 ZINC000365519104 489083640 /nfs/dbraw/zinc/08/36/40/489083640.db2.gz WEAPVRGPQBZMMV-UHFFFAOYSA-N 1 1 364.406 0.167 20 5 FCBDMO CCCNC(=O)CN(C)C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365835048 489118336 /nfs/dbraw/zinc/11/83/36/489118336.db2.gz DOYAVIIXKYFSMA-UHFFFAOYSA-N 1 1 366.422 0.413 20 5 FCBDMO COc1cc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000366033391 489137412 /nfs/dbraw/zinc/13/74/12/489137412.db2.gz QPQHPXAXVCTUDE-NWDGAFQWSA-N 1 1 371.415 0.745 20 5 FCBDMO COc1cc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000366033391 489137417 /nfs/dbraw/zinc/13/74/17/489137417.db2.gz QPQHPXAXVCTUDE-NWDGAFQWSA-N 1 1 371.415 0.745 20 5 FCBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290633316 489154478 /nfs/dbraw/zinc/15/44/78/489154478.db2.gz MXTRDFXXOZFFJN-GFCCVEGCSA-N 1 1 364.406 0.443 20 5 FCBDMO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000282355289 489156941 /nfs/dbraw/zinc/15/69/41/489156941.db2.gz MYLOBKFESGUYTO-CLAHSXSESA-N 1 1 350.331 0.376 20 5 FCBDMO C[N@@H+](C[C@H](O)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C1CC1 ZINC000290762369 489164240 /nfs/dbraw/zinc/16/42/40/489164240.db2.gz KETKTPQNKJGJKR-WMLDXEAASA-N 1 1 362.386 0.817 20 5 FCBDMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000295410518 489193073 /nfs/dbraw/zinc/19/30/73/489193073.db2.gz JHIHVRHORVOQNH-ZDUSSCGKSA-N 1 1 374.401 0.752 20 5 FCBDMO C[C@H](CO)[N@H+]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000368966767 489223202 /nfs/dbraw/zinc/22/32/02/489223202.db2.gz RCNFDQUYGOGEKS-HUUCEWRRSA-N 1 1 353.419 0.723 20 5 FCBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000298203502 489303406 /nfs/dbraw/zinc/30/34/06/489303406.db2.gz KKMQCEIPZDTRKL-UHFFFAOYSA-N 1 1 350.375 0.497 20 5 FCBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000286143220 489360549 /nfs/dbraw/zinc/36/05/49/489360549.db2.gz WZKWJGKARGHNLE-BETUJISGSA-N 1 1 350.423 0.949 20 5 FCBDMO COCC(=O)N1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000298757831 489361114 /nfs/dbraw/zinc/36/11/14/489361114.db2.gz OFSLIDVGRKUPLE-UHFFFAOYSA-N 1 1 350.375 0.714 20 5 FCBDMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298831917 489371235 /nfs/dbraw/zinc/37/12/35/489371235.db2.gz AQVVTSPZMMXYIE-UHFFFAOYSA-N 1 1 370.431 0.178 20 5 FCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000370545901 489372762 /nfs/dbraw/zinc/37/27/62/489372762.db2.gz IUGGHLKWPKLPJH-GJZGRUSLSA-N 1 1 364.402 0.516 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000370547649 489373041 /nfs/dbraw/zinc/37/30/41/489373041.db2.gz RBUVAEONVCYZND-KBPBESRZSA-N 1 1 351.407 0.859 20 5 FCBDMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000298855684 489374317 /nfs/dbraw/zinc/37/43/17/489374317.db2.gz OJJBDBPPURMUQP-UHFFFAOYSA-N 1 1 356.404 0.037 20 5 FCBDMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000363219491 489440011 /nfs/dbraw/zinc/44/00/11/489440011.db2.gz SJIJCTFPMDSUOC-AWEZNQCLSA-N 1 1 366.393 0.870 20 5 FCBDMO CCc1n[nH]c(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000363218275 489440027 /nfs/dbraw/zinc/44/00/27/489440027.db2.gz HFPUTFMKEKUBQS-LBPRGKRZSA-N 1 1 350.423 0.732 20 5 FCBDMO CCc1[nH]nc(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000363218275 489440028 /nfs/dbraw/zinc/44/00/28/489440028.db2.gz HFPUTFMKEKUBQS-LBPRGKRZSA-N 1 1 350.423 0.732 20 5 FCBDMO CCc1[nH]nc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000363218275 489440029 /nfs/dbraw/zinc/44/00/29/489440029.db2.gz HFPUTFMKEKUBQS-LBPRGKRZSA-N 1 1 350.423 0.732 20 5 FCBDMO CNS(=O)(=O)[C@H]1CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000363350256 489456051 /nfs/dbraw/zinc/45/60/51/489456051.db2.gz WGJLSFBYJGMUNN-ZDUSSCGKSA-N 1 1 373.431 0.996 20 5 FCBDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000363350256 489456052 /nfs/dbraw/zinc/45/60/52/489456052.db2.gz WGJLSFBYJGMUNN-ZDUSSCGKSA-N 1 1 373.431 0.996 20 5 FCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000428037821 489634280 /nfs/dbraw/zinc/63/42/80/489634280.db2.gz KZCMCVJUGKPOIG-ZDUSSCGKSA-N 1 1 373.413 0.884 20 5 FCBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000457100216 489635792 /nfs/dbraw/zinc/63/57/92/489635792.db2.gz WGGRWPWAGFMQQD-GFCCVEGCSA-N 1 1 370.431 0.797 20 5 FCBDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000372859191 489645532 /nfs/dbraw/zinc/64/55/32/489645532.db2.gz QIBHAACLCCWWCR-JKSUJKDBSA-N 1 1 356.382 0.971 20 5 FCBDMO C[C@@H](NC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(=O)N(C)C ZINC000373227250 489680520 /nfs/dbraw/zinc/68/05/20/489680520.db2.gz JQAGTRYSVCSXRI-LLVKDONJSA-N 1 1 352.395 0.021 20 5 FCBDMO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCC[N@H+]1CCCOCC1 ZINC000474315730 489753630 /nfs/dbraw/zinc/75/36/30/489753630.db2.gz XLAOWWSXIPNSFM-UHFFFAOYSA-N 1 1 365.386 0.747 20 5 FCBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000474804268 489786823 /nfs/dbraw/zinc/78/68/23/489786823.db2.gz MQRFFLWQRWABLT-UHFFFAOYSA-N 1 1 352.439 0.714 20 5 FCBDMO COc1c(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000475529459 489834526 /nfs/dbraw/zinc/83/45/26/489834526.db2.gz QTSYXEIOZXHDRQ-GFCCVEGCSA-N 1 1 364.402 0.921 20 5 FCBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000493965213 489865493 /nfs/dbraw/zinc/86/54/93/489865493.db2.gz NJXXPIAOCMKJQL-XQQFMLRXSA-N 1 1 352.395 0.287 20 5 FCBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000493965213 489865497 /nfs/dbraw/zinc/86/54/97/489865497.db2.gz NJXXPIAOCMKJQL-XQQFMLRXSA-N 1 1 352.395 0.287 20 5 FCBDMO O=C(CC[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000377223702 489870804 /nfs/dbraw/zinc/87/08/04/489870804.db2.gz LOSWXYZYSVRIPW-KBPBESRZSA-N 1 1 366.349 0.652 20 5 FCBDMO C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000377736729 489950566 /nfs/dbraw/zinc/95/05/66/489950566.db2.gz BXLQLYXNXQNGSM-HNNXBMFYSA-N 1 1 368.459 0.995 20 5 FCBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCn1cncn1 ZINC000420975938 490037651 /nfs/dbraw/zinc/03/76/51/490037651.db2.gz RQBRMVTUDRMLJU-UHFFFAOYSA-N 1 1 354.392 0.097 20 5 FCBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCn1cncn1 ZINC000420975938 490037656 /nfs/dbraw/zinc/03/76/56/490037656.db2.gz RQBRMVTUDRMLJU-UHFFFAOYSA-N 1 1 354.392 0.097 20 5 FCBDMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000378321716 490048844 /nfs/dbraw/zinc/04/88/44/490048844.db2.gz UKAAVDUVLWBCRF-HIFRSBDPSA-N 1 1 360.418 0.393 20 5 FCBDMO COC(=O)C[C@@]1([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000464595407 490060927 /nfs/dbraw/zinc/06/09/27/490060927.db2.gz ITRGODDJDLCPAB-INIZCTEOSA-N 1 1 351.359 0.869 20 5 FCBDMO C[C@@H](O)C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H](C)CO ZINC000443330329 490070371 /nfs/dbraw/zinc/07/03/71/490070371.db2.gz NBDWZMOJVCAHRX-NWDGAFQWSA-N 1 1 353.375 0.956 20 5 FCBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000378536184 490083096 /nfs/dbraw/zinc/08/30/96/490083096.db2.gz BFXYZWLILVXKRD-CYBMUJFWSA-N 1 1 363.418 0.313 20 5 FCBDMO CNc1nccc(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000519834589 490094574 /nfs/dbraw/zinc/09/45/74/490094574.db2.gz UBELUOFKHAGCRY-UHFFFAOYSA-N 1 1 352.439 0.987 20 5 FCBDMO CNc1nccc(C(=O)N(C)CCCN(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000519834589 490094577 /nfs/dbraw/zinc/09/45/77/490094577.db2.gz UBELUOFKHAGCRY-UHFFFAOYSA-N 1 1 352.439 0.987 20 5 FCBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000421700098 490099382 /nfs/dbraw/zinc/09/93/82/490099382.db2.gz DDFCJYPBPSGJNO-LLVKDONJSA-N 1 1 360.370 0.743 20 5 FCBDMO CCN1CCC([N@@H+]2CCCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000422008831 490125840 /nfs/dbraw/zinc/12/58/40/490125840.db2.gz PZJSPVRTGHIITN-UHFFFAOYSA-N 1 1 364.450 0.810 20 5 FCBDMO CCN1CCC([N@H+]2CCCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000422008831 490125844 /nfs/dbraw/zinc/12/58/44/490125844.db2.gz PZJSPVRTGHIITN-UHFFFAOYSA-N 1 1 364.450 0.810 20 5 FCBDMO COCC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000386811882 490130920 /nfs/dbraw/zinc/13/09/20/490130920.db2.gz PVNCYSAAOPJRFD-JTQLQIEISA-N 1 1 364.196 0.458 20 5 FCBDMO COc1cc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000480507274 490205056 /nfs/dbraw/zinc/20/50/56/490205056.db2.gz XHRTVCCOSNHYCW-MRXNPFEDSA-N 1 1 353.375 0.416 20 5 FCBDMO COc1cc(C[NH2+]C[C@@H]2CS(=O)(=O)CCO2)c([N+](=O)[O-])cc1OC ZINC000507865254 490272105 /nfs/dbraw/zinc/27/21/05/490272105.db2.gz SBJLATVXSMHQQE-LLVKDONJSA-N 1 1 360.388 0.515 20 5 FCBDMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000408263242 490291278 /nfs/dbraw/zinc/29/12/78/490291278.db2.gz BWIXOPPJOHBNEQ-NSHDSACASA-N 1 1 368.415 0.271 20 5 FCBDMO C[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000408263242 490291285 /nfs/dbraw/zinc/29/12/85/490291285.db2.gz BWIXOPPJOHBNEQ-NSHDSACASA-N 1 1 368.415 0.271 20 5 FCBDMO C[N@@H+](CCCO)C1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000522404176 490375743 /nfs/dbraw/zinc/37/57/43/490375743.db2.gz RFDCBZURXLLRCM-UHFFFAOYSA-N 1 1 372.447 0.525 20 5 FCBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CC(C)(CO)CO)c([N+](=O)[O-])c1 ZINC000534669236 490397597 /nfs/dbraw/zinc/39/75/97/490397597.db2.gz ZRQOCWACOYOIAU-NSHDSACASA-N 1 1 355.391 0.853 20 5 FCBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC(C)(CO)CO)c([N+](=O)[O-])c1 ZINC000534669236 490397602 /nfs/dbraw/zinc/39/76/02/490397602.db2.gz ZRQOCWACOYOIAU-NSHDSACASA-N 1 1 355.391 0.853 20 5 FCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000523579083 490476548 /nfs/dbraw/zinc/47/65/48/490476548.db2.gz FFEYGPURIXYSSO-HNNXBMFYSA-N 1 1 350.423 0.552 20 5 FCBDMO NS(=O)(=O)c1cccc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000450791048 490489840 /nfs/dbraw/zinc/48/98/40/490489840.db2.gz LOKAZZFIKVHDNK-PHIMTYICSA-N 1 1 356.404 0.517 20 5 FCBDMO CC[NH+]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000485080965 490498967 /nfs/dbraw/zinc/49/89/67/490498967.db2.gz TZGVCYZLMYPKTN-UHFFFAOYSA-N 1 1 370.431 0.427 20 5 FCBDMO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000450957163 490503099 /nfs/dbraw/zinc/50/30/99/490503099.db2.gz KDYNFRRHCLOFDN-CYBMUJFWSA-N 1 1 359.386 0.919 20 5 FCBDMO C[C@H]1CC[NH2+]CC[C@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422948364 490504570 /nfs/dbraw/zinc/50/45/70/490504570.db2.gz RWTXGIMRHYLPMR-SWLSCSKDSA-N 1 1 356.448 0.851 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000413899060 490507256 /nfs/dbraw/zinc/50/72/56/490507256.db2.gz BZRNEWMOSOVMLN-GFCCVEGCSA-N 1 1 351.359 0.537 20 5 FCBDMO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000414072935 490536538 /nfs/dbraw/zinc/53/65/38/490536538.db2.gz FGTGPEFNYZMVBY-NSHDSACASA-N 1 1 353.404 0.957 20 5 FCBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC3(O)CCS(=O)(=O)CC3)C2)nc1 ZINC000536036493 490548148 /nfs/dbraw/zinc/54/81/48/490548148.db2.gz QOPHRWSPICDMGX-GFCCVEGCSA-N 1 1 370.431 0.416 20 5 FCBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3(O)CCS(=O)(=O)CC3)C2)nc1 ZINC000536036493 490548151 /nfs/dbraw/zinc/54/81/51/490548151.db2.gz QOPHRWSPICDMGX-GFCCVEGCSA-N 1 1 370.431 0.416 20 5 FCBDMO C[C@@](O)(CNC(=O)NCCc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000536235876 490563274 /nfs/dbraw/zinc/56/32/74/490563274.db2.gz WKTBCTTWEBPPGO-QGZVFWFLSA-N 1 1 366.418 0.520 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(C(=O)CO)CC1 ZINC000536266676 490564356 /nfs/dbraw/zinc/56/43/56/490564356.db2.gz MWURBOFXTQVDHP-UHFFFAOYSA-N 1 1 350.375 0.368 20 5 FCBDMO C[C@@H]1C[C@@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000525103046 490576097 /nfs/dbraw/zinc/57/60/97/490576097.db2.gz KFNGFNPOVNHFHZ-OCCSQVGLSA-N 1 1 363.418 0.993 20 5 FCBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000501130391 490582631 /nfs/dbraw/zinc/58/26/31/490582631.db2.gz VLSOZFMKYATSAZ-NSHDSACASA-N 1 1 352.395 0.001 20 5 FCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000501513502 490609943 /nfs/dbraw/zinc/60/99/43/490609943.db2.gz PLGPABGRASCHBV-QGZVFWFLSA-N 1 1 359.386 0.695 20 5 FCBDMO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536859704 490618358 /nfs/dbraw/zinc/61/83/58/490618358.db2.gz WEPFHYSONPAHDY-TZMCWYRMSA-N 1 1 368.459 0.945 20 5 FCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536859704 490618361 /nfs/dbraw/zinc/61/83/61/490618361.db2.gz WEPFHYSONPAHDY-TZMCWYRMSA-N 1 1 368.459 0.945 20 5 FCBDMO C[N@@H+](CCNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C1CCCC1 ZINC000550166919 490634048 /nfs/dbraw/zinc/63/40/48/490634048.db2.gz NBCBNAXOLWQCKC-UHFFFAOYSA-N 1 1 370.431 0.846 20 5 FCBDMO CC[N@@H+]1CCO[C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H]1c1ccccc1 ZINC000503076081 490737562 /nfs/dbraw/zinc/73/75/62/490737562.db2.gz WKJIRLGBLDIMGS-HOCLYGCPSA-N 1 1 374.401 0.765 20 5 FCBDMO CC[N@H+]1CCO[C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H]1c1ccccc1 ZINC000503076081 490737564 /nfs/dbraw/zinc/73/75/64/490737564.db2.gz WKJIRLGBLDIMGS-HOCLYGCPSA-N 1 1 374.401 0.765 20 5 FCBDMO CNc1ccc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000531125283 490942097 /nfs/dbraw/zinc/94/20/97/490942097.db2.gz OOAWHSKXUSUTLB-MRXNPFEDSA-N 1 1 352.391 0.450 20 5 FCBDMO C[N@H+]1CCN(CCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1(C)C ZINC000572822677 491395686 /nfs/dbraw/zinc/39/56/86/491395686.db2.gz KPARBVFFOQWFEA-UHFFFAOYSA-N 1 1 371.463 0.680 20 5 FCBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000573354502 491428401 /nfs/dbraw/zinc/42/84/01/491428401.db2.gz JEMBHWMNWKNLCQ-GFCCVEGCSA-N 1 1 360.370 0.743 20 5 FCBDMO CC[N@@H+](C)C[C@H](O)CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000584540385 491602562 /nfs/dbraw/zinc/60/25/62/491602562.db2.gz WTLIOPAGOGUZDL-XJKSGUPXSA-N 1 1 350.375 0.674 20 5 FCBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000577909533 491661916 /nfs/dbraw/zinc/66/19/16/491661916.db2.gz SAWUMKCTIQVVGH-GFCCVEGCSA-N 1 1 362.386 0.873 20 5 FCBDMO Cc1nn(CCC(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)c(C)c1[N+](=O)[O-] ZINC000588860620 491750366 /nfs/dbraw/zinc/75/03/66/491750366.db2.gz KEUQZSKKXPBJNC-UONOGXRCSA-N 1 1 351.407 0.466 20 5 FCBDMO COC(=O)c1cc(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)cc([N+](=O)[O-])c1 ZINC000588864050 491750780 /nfs/dbraw/zinc/75/07/80/491750780.db2.gz YGSXCFXMUYWJDU-UKRRQHHQSA-N 1 1 363.370 0.663 20 5 FCBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000589057144 491754519 /nfs/dbraw/zinc/75/45/19/491754519.db2.gz CSBRHSHCXWDTKN-UHFFFAOYSA-N 1 1 366.418 0.979 20 5 FCBDMO CN(CCCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)CC[NH+](C)C ZINC000589057144 491754520 /nfs/dbraw/zinc/75/45/20/491754520.db2.gz CSBRHSHCXWDTKN-UHFFFAOYSA-N 1 1 366.418 0.979 20 5 FCBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000589209290 491757349 /nfs/dbraw/zinc/75/73/49/491757349.db2.gz BXRWMWUGPGKEOC-LBPRGKRZSA-N 1 1 351.359 0.844 20 5 FCBDMO CNS(=O)(=O)c1ccc(NCCC[N@@H+](C)CCN(C)C)c([N+](=O)[O-])c1 ZINC000581629276 491780606 /nfs/dbraw/zinc/78/06/06/491780606.db2.gz LNEXDGFTKZQTLH-UHFFFAOYSA-N 1 1 373.479 0.798 20 5 FCBDMO CNS(=O)(=O)c1ccc(NCCCN(C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000581629276 491780608 /nfs/dbraw/zinc/78/06/08/491780608.db2.gz LNEXDGFTKZQTLH-UHFFFAOYSA-N 1 1 373.479 0.798 20 5 FCBDMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000590774477 491786377 /nfs/dbraw/zinc/78/63/77/491786377.db2.gz FJLQKYYPCQUJQL-NSHDSACASA-N 1 1 351.359 0.900 20 5 FCBDMO C[C@H](CN1CCN(C)CC1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000582900481 491831201 /nfs/dbraw/zinc/83/12/01/491831201.db2.gz OXYOXAACNZNDHO-GDBMZVCRSA-N 1 1 352.435 0.560 20 5 FCBDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000592388959 491836518 /nfs/dbraw/zinc/83/65/18/491836518.db2.gz QWBNOCXYGPAHDW-GFCCVEGCSA-N 1 1 357.388 0.429 20 5 FCBDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000592388719 491836577 /nfs/dbraw/zinc/83/65/77/491836577.db2.gz KZQYEIHYHZBZNA-LLVKDONJSA-N 1 1 373.387 0.129 20 5 FCBDMO CC(C)(CO)[NH+]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000611753524 491872400 /nfs/dbraw/zinc/87/24/00/491872400.db2.gz WGVZQBHXBRLMCQ-UHFFFAOYSA-N 1 1 358.420 0.135 20 5 FCBDMO CS(=O)(=O)N[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000612065569 491896521 /nfs/dbraw/zinc/89/65/21/491896521.db2.gz BRCFRSQTYIYKRJ-QWHCGFSZSA-N 1 1 373.431 0.348 20 5 FCBDMO CS(=O)(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000612065569 491896523 /nfs/dbraw/zinc/89/65/23/491896523.db2.gz BRCFRSQTYIYKRJ-QWHCGFSZSA-N 1 1 373.431 0.348 20 5 FCBDMO COC[C@H](C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC ZINC000595548008 491941759 /nfs/dbraw/zinc/94/17/59/491941759.db2.gz YOFAWNZLDYVKJZ-ZDUSSCGKSA-N 1 1 361.420 0.466 20 5 FCBDMO COC[C@H](C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC ZINC000595548008 491941761 /nfs/dbraw/zinc/94/17/61/491941761.db2.gz YOFAWNZLDYVKJZ-ZDUSSCGKSA-N 1 1 361.420 0.466 20 5 FCBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000602193825 491966897 /nfs/dbraw/zinc/96/68/97/491966897.db2.gz IHZURBCWJICEAQ-UHFFFAOYSA-N 1 1 371.397 0.989 20 5 FCBDMO COc1ccc(OCCN(C)CC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000602989359 492010639 /nfs/dbraw/zinc/01/06/39/492010639.db2.gz MTFIPVBTCQLIFX-UHFFFAOYSA-N 1 1 366.418 0.688 20 5 FCBDMO COc1ccc(OCC[N@H+](C)CC(=O)N2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000602989359 492010641 /nfs/dbraw/zinc/01/06/41/492010641.db2.gz MTFIPVBTCQLIFX-UHFFFAOYSA-N 1 1 366.418 0.688 20 5 FCBDMO COc1ccc(OCC[N@@H+](C)CC(=O)N2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000602989359 492010643 /nfs/dbraw/zinc/01/06/43/492010643.db2.gz MTFIPVBTCQLIFX-UHFFFAOYSA-N 1 1 366.418 0.688 20 5 FCBDMO COC(=O)COc1ccc(C[N@@H+](C)C[C@H]2COCCO2)cc1[N+](=O)[O-] ZINC000597207309 492022308 /nfs/dbraw/zinc/02/23/08/492022308.db2.gz VHUSOWIKKRTTRK-ZDUSSCGKSA-N 1 1 354.359 0.994 20 5 FCBDMO CN1CC[NH+](CCCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000603631790 492039696 /nfs/dbraw/zinc/03/96/96/492039696.db2.gz YYEONPLSHQXOEM-UHFFFAOYSA-N 1 1 356.448 0.901 20 5 FCBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000604060209 492050199 /nfs/dbraw/zinc/05/01/99/492050199.db2.gz WFSXQHXMVZWKBQ-UHFFFAOYSA-N 1 1 359.386 0.922 20 5 FCBDMO CN(CC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000614895739 492062790 /nfs/dbraw/zinc/06/27/90/492062790.db2.gz ZPGBSRVEDUHPHT-UHFFFAOYSA-N 1 1 350.419 0.946 20 5 FCBDMO Cc1nn(CCC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000614895226 492063135 /nfs/dbraw/zinc/06/31/35/492063135.db2.gz IQMVAIYNCDAFDA-UHFFFAOYSA-N 1 1 353.423 0.713 20 5 FCBDMO C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC000604561110 492063547 /nfs/dbraw/zinc/06/35/47/492063547.db2.gz XKKMWPAIWNPJDO-AWEZNQCLSA-N 1 1 360.370 0.348 20 5 FCBDMO COC(=O)c1ccnc(NCCCN2CCC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000598593246 492106072 /nfs/dbraw/zinc/10/60/72/492106072.db2.gz RHNCVKZZVBMHEK-UHFFFAOYSA-N 1 1 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C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000795705402 1213276096 /nfs/dbraw/zinc/27/60/96/1213276096.db2.gz ZCHKXQKNFILLRW-QWHCGFSZSA-N 1 1 374.397 0.943 20 5 FCBDMO C[NH+](C)Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC001011112622 1213828873 /nfs/dbraw/zinc/82/88/73/1213828873.db2.gz WWZRBIHLILHTFP-HZPDHXFCSA-N 1 1 360.414 0.698 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001019205048 1214217368 /nfs/dbraw/zinc/21/73/68/1214217368.db2.gz OVWAXSXCROKGMY-ZIAGYGMSSA-N 1 1 362.430 0.341 20 5 FCBDMO CC1CC[NH+](CC(=O)N2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)CC1 ZINC000961552620 1214225380 /nfs/dbraw/zinc/22/53/80/1214225380.db2.gz CMJNCBUCGRKPEQ-QKPAOTATSA-N 1 1 364.446 0.300 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CCN1CCCC1=O)CC2 ZINC001040699223 1214567842 /nfs/dbraw/zinc/56/78/42/1214567842.db2.gz ALYHBTKHZSGVAH-HUUCEWRRSA-N 1 1 364.446 0.589 20 5 FCBDMO CCC1(NC(=O)COCC[NH+](C)C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001069367840 1216785366 /nfs/dbraw/zinc/78/53/66/1216785366.db2.gz CXZALAMPMRVOMO-ZIAGYGMSSA-N 1 1 370.450 0.117 20 5 FCBDMO O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001054895303 1218964154 /nfs/dbraw/zinc/96/41/54/1218964154.db2.gz XXTZDPGDKIEGCM-KLHDSHLOSA-N 1 1 366.462 0.786 20 5 FCBDMO C/C(=C\C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001055574978 1219084087 /nfs/dbraw/zinc/08/40/87/1219084087.db2.gz GWELAJQJEWIYNX-CJDUSVOKSA-N 1 1 364.446 0.705 20 5 FCBDMO O=C1CC[C@H]([N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)C(=O)N1 ZINC000799165775 1221304060 /nfs/dbraw/zinc/30/40/60/1221304060.db2.gz NVBDRWYXLRLGLN-AWEZNQCLSA-N 1 1 372.385 0.788 20 5 FCBDMO CN(CC1CC1)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001115530552 1221311776 /nfs/dbraw/zinc/31/17/76/1221311776.db2.gz DBZLOLUAZZLVLW-HUUCEWRRSA-N 1 1 366.462 0.929 20 5 FCBDMO COCCn1c([C@H](C)[N+](=O)[O-])nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001122419542 1222273124 /nfs/dbraw/zinc/27/31/24/1222273124.db2.gz RONSXJWOBGXUOW-MJBXVCDLSA-N 1 1 370.454 0.808 20 5 FCBDMO COCCn1c([C@H](C)[N+](=O)[O-])nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001122419542 1222273126 /nfs/dbraw/zinc/27/31/26/1222273126.db2.gz RONSXJWOBGXUOW-MJBXVCDLSA-N 1 1 370.454 0.808 20 5 FCBDMO COC(=O)[C@H]1[C@@H]2C[N@@H+](CN3C(=O)C[C@@H]3Oc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000840076206 1222769606 /nfs/dbraw/zinc/76/96/06/1222769606.db2.gz KABSHGFPFMZTCG-LQKXBSAESA-N 1 1 361.354 0.840 20 5 FCBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](CN3C(=O)C[C@@H]3Oc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000840076206 1222769610 /nfs/dbraw/zinc/76/96/10/1222769610.db2.gz KABSHGFPFMZTCG-LQKXBSAESA-N 1 1 361.354 0.840 20 5 FCBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])NC(=O)Nc1ccccc1 ZINC001157767061 1223081948 /nfs/dbraw/zinc/08/19/48/1223081948.db2.gz GDJCZSNSCVCBCB-CHWSQXEVSA-N 1 1 363.374 0.096 20 5 FCBDMO CCc1cc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001162445123 1223216512 /nfs/dbraw/zinc/21/65/12/1223216512.db2.gz FDFWXDFWUWSHAC-VYDXJSESSA-N 1 1 370.417 0.111 20 5 FCBDMO Cn1c(C[NH2+]CC2(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nnc1C1CC1 ZINC001164491021 1223239302 /nfs/dbraw/zinc/23/93/02/1223239302.db2.gz XPKHIBCFDUAUOW-CHWSQXEVSA-N 1 1 362.434 0.734 20 5 FCBDMO O=C(C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NCc1ccco1 ZINC001205224075 1223317690 /nfs/dbraw/zinc/31/76/90/1223317690.db2.gz LOOVGINXVQJSFL-HUUCEWRRSA-N 1 1 364.402 0.389 20 5 FCBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000800617929 1245312236 /nfs/dbraw/zinc/31/22/36/1245312236.db2.gz ZTUSMVBGKZGDGB-GWCFXTLKSA-N 1 1 368.365 0.816 20 5 FCBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000800617929 1245312239 /nfs/dbraw/zinc/31/22/39/1245312239.db2.gz ZTUSMVBGKZGDGB-GWCFXTLKSA-N 1 1 368.365 0.816 20 5 FCBDMO C[N@@H+](CC(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1)C1CCC1 ZINC000944962322 1247694818 /nfs/dbraw/zinc/69/48/18/1247694818.db2.gz WTNPZMHLYZKHOQ-HUUCEWRRSA-N 1 1 364.446 0.587 20 5 FCBDMO C[N@H+](CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1)C1CCC1 ZINC000944962322 1247694828 /nfs/dbraw/zinc/69/48/28/1247694828.db2.gz WTNPZMHLYZKHOQ-HUUCEWRRSA-N 1 1 364.446 0.587 20 5 FCBDMO C[N@@H+](CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1)C1CCC1 ZINC000944962322 1247694835 /nfs/dbraw/zinc/69/48/35/1247694835.db2.gz WTNPZMHLYZKHOQ-HUUCEWRRSA-N 1 1 364.446 0.587 20 5 FCBDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001327804351 1265429811 /nfs/dbraw/zinc/42/98/11/1265429811.db2.gz TZADUTKIZWATKN-AWEZNQCLSA-N 1 1 364.402 0.090 20 5 FCBDMO Cn1c(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nnc1C1CCC1 ZINC000996429937 1251345403 /nfs/dbraw/zinc/34/54/03/1251345403.db2.gz XBSBZDZZPMHGBP-ZIAGYGMSSA-N 1 1 362.434 0.828 20 5 FCBDMO COc1coc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1=O ZINC000997774488 1251700190 /nfs/dbraw/zinc/70/01/90/1251700190.db2.gz DUXKHSJDEVQNMD-ZIAGYGMSSA-N 1 1 365.386 0.642 20 5 FCBDMO C[N@@H+](CC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CCC1 ZINC001060730600 1254134691 /nfs/dbraw/zinc/13/46/91/1254134691.db2.gz RQRZDHWLOMKGRS-RRCSTGOVSA-N 1 1 366.462 0.927 20 5 FCBDMO C[N@H+](CC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CCC1 ZINC001060730600 1254134699 /nfs/dbraw/zinc/13/46/99/1254134699.db2.gz RQRZDHWLOMKGRS-RRCSTGOVSA-N 1 1 366.462 0.927 20 5 FCBDMO C[N@@H+](CC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CCC1 ZINC001060730600 1254134712 /nfs/dbraw/zinc/13/47/12/1254134712.db2.gz RQRZDHWLOMKGRS-RRCSTGOVSA-N 1 1 366.462 0.927 20 5 FCBDMO O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1ccc2c[nH+]cn2c1 ZINC001062988930 1254286282 /nfs/dbraw/zinc/28/62/82/1254286282.db2.gz GZTNBFWNWSKQQG-ZIAGYGMSSA-N 1 1 357.370 0.768 20 5 FCBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001257240818 1260003833 /nfs/dbraw/zinc/00/38/33/1260003833.db2.gz DVSZOSQYNMNBQM-HOTGVXAUSA-N 1 1 360.414 0.997 20 5 FCBDMO COc1ccc(C(=O)NCC(=O)NCc2[nH]c(C)[nH+]c2C)cc1[N+](=O)[O-] ZINC001303892577 1263120466 /nfs/dbraw/zinc/12/04/66/1263120466.db2.gz YPOGEWZKSHSPDM-UHFFFAOYSA-N 1 1 361.358 0.990 20 5 FCBDMO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](CCO)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001308163980 1263214934 /nfs/dbraw/zinc/21/49/34/1263214934.db2.gz QAMDZZBUIMUFGS-STQMWFEESA-N 1 1 367.402 0.855 20 5 FCBDMO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001319592479 1263711073 /nfs/dbraw/zinc/71/10/73/1263711073.db2.gz YGKYBJNPIORTLX-UHFFFAOYSA-N 1 1 365.434 0.241 20 5 FCBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001319592479 1263711079 /nfs/dbraw/zinc/71/10/79/1263711079.db2.gz YGKYBJNPIORTLX-UHFFFAOYSA-N 1 1 365.434 0.241 20 5 FCBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001323373783 1264413851 /nfs/dbraw/zinc/41/38/51/1264413851.db2.gz OEPWTMQWTNNOKG-CQSZACIVSA-N 1 1 364.402 0.690 20 5 FCBDMO C[C@@H](NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCO1 ZINC001323833132 1264524862 /nfs/dbraw/zinc/52/48/62/1264524862.db2.gz AJILRKPQWUNCKG-IUODEOHRSA-N 1 1 364.402 0.089 20 5 FCBDMO C[C@@H](NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001323833132 1264524865 /nfs/dbraw/zinc/52/48/65/1264524865.db2.gz AJILRKPQWUNCKG-IUODEOHRSA-N 1 1 364.402 0.089 20 5 FCBDMO C[C@@H](CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)[N@H+]1CCC[C@H](C)C1 ZINC001323906173 1264538143 /nfs/dbraw/zinc/53/81/43/1264538143.db2.gz QQICXHDFGUPGPY-STQMWFEESA-N 1 1 366.422 0.144 20 5 FCBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001324316231 1264618075 /nfs/dbraw/zinc/61/80/75/1264618075.db2.gz LDBORLAMSZDDIK-ZDUSSCGKSA-N 1 1 366.422 0.240 20 5 FCBDMO O=[N+]([O-])Cc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCc1ccccc1 ZINC001340797120 1268661286 /nfs/dbraw/zinc/66/12/86/1268661286.db2.gz VHKRBSOGLSWLJV-MRXNPFEDSA-N 1 1 372.429 0.818 20 5 FCBDMO O=[N+]([O-])Cc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCc1ccccc1 ZINC001340797120 1268661297 /nfs/dbraw/zinc/66/12/97/1268661297.db2.gz VHKRBSOGLSWLJV-MRXNPFEDSA-N 1 1 372.429 0.818 20 5 FCBDMO CCC[C@@H]1CN(c2nnc(CCC[N+](=O)[O-])n2C)CC[N@H+]1CCOC ZINC001341332958 1268940584 /nfs/dbraw/zinc/94/05/84/1268940584.db2.gz UUUNZQPWSIPLFB-CQSZACIVSA-N 1 1 354.455 0.962 20 5 FCBDMO COCCn1c(C[N+](=O)[O-])nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001342294053 1269422402 /nfs/dbraw/zinc/42/24/02/1269422402.db2.gz HDBDLKUWZVRSAZ-UHFFFAOYSA-N 1 1 356.427 0.248 20 5 FCBDMO C[C@@](N)(C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001576080718 1272854099 /nfs/dbraw/zinc/85/40/99/1272854099.db2.gz GSRHJPTWQMTBHN-RDJZCZTQSA-N 1 1 350.419 0.732 20 5 FCBDMO C[C@H]1CS(=O)(=O)CCCN1C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001576862342 1273826435 /nfs/dbraw/zinc/82/64/35/1273826435.db2.gz ULNHBXMRUNIXJS-XHDPSFHLSA-N 1 1 355.416 0.804 20 5 FCBDMO O=C(NCc1ccc(C[NH2+]CCc2c[nH]nn2)cc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001578015169 1275282874 /nfs/dbraw/zinc/28/28/74/1275282874.db2.gz QWTIGWGVPCMROH-UKRRQHHQSA-N 1 1 362.365 0.558 20 5 FCBDMO C[NH+]1CCN(CCCNc2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CC1 ZINC001579378057 1277257725 /nfs/dbraw/zinc/25/77/25/1277257725.db2.gz YAIVWOJKCMSTCK-UHFFFAOYSA-N 1 1 361.410 0.407 20 5 FCBDMO [NH3+]CCC(=O)NC[C@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001580281857 1278085469 /nfs/dbraw/zinc/08/54/69/1278085469.db2.gz VUQNYDPQAYPJNH-CVEARBPZSA-N 1 1 350.419 0.948 20 5 FCBDMO C[C@H](O)C[NH+]1CCN(c2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001590002343 1283172181 /nfs/dbraw/zinc/17/21/81/1283172181.db2.gz XINZAPRIGZNMCL-VIFPVBQESA-N 1 1 351.342 0.417 20 5 FCBDMO CCOCC[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001590813023 1283891439 /nfs/dbraw/zinc/89/14/39/1283891439.db2.gz ZOFDDESSAFRKJX-UHFFFAOYSA-N 1 1 361.406 0.929 20 5 FCBDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001592746724 1285665921 /nfs/dbraw/zinc/66/59/21/1285665921.db2.gz CALBMZHTHOMCMT-VIFPVBQESA-N 1 1 367.391 0.028 20 5 FCBDMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001592746724 1285665925 /nfs/dbraw/zinc/66/59/25/1285665925.db2.gz CALBMZHTHOMCMT-VIFPVBQESA-N 1 1 367.391 0.028 20 5 FCBDMO Nc1c([N+](=O)[O-])ccc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1-c1nn[nH]n1 ZINC001592757510 1285678951 /nfs/dbraw/zinc/67/89/51/1285678951.db2.gz KSLBOSHKHRRNFU-VHSXEESVSA-N 1 1 360.378 0.632 20 5 FCBDMO O=C1CCCN1[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001593392935 1286113659 /nfs/dbraw/zinc/11/36/59/1286113659.db2.gz QEKZINRQXKBWDR-ZDUSSCGKSA-N 1 1 357.374 0.972 20 5 FCBDMO O=C1CCCN1[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001593392935 1286113661 /nfs/dbraw/zinc/11/36/61/1286113661.db2.gz QEKZINRQXKBWDR-ZDUSSCGKSA-N 1 1 357.374 0.972 20 5 FCBDMO CNC(=O)C[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC001609288287 1289054628 /nfs/dbraw/zinc/05/46/28/1289054628.db2.gz HJBHENPJYZLTOX-UHFFFAOYSA-N 1 1 360.378 0.397 20 5 FCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NCC2CC[NH2+]CC2)c1-c1nn[nH]n1 ZINC001593486055 1286174735 /nfs/dbraw/zinc/17/47/35/1286174735.db2.gz ZZKOSIBDJZKZRU-UHFFFAOYSA-N 1 1 367.391 0.053 20 5 FCBDMO O=[N+]([O-])c1cccnc1N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001593486654 1286176590 /nfs/dbraw/zinc/17/65/90/1286176590.db2.gz DYYOJVQOHNGDMW-UHFFFAOYSA-N 1 1 353.346 0.892 20 5 FCBDMO O=C1N=NCN1C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001593492932 1286180064 /nfs/dbraw/zinc/18/00/64/1286180064.db2.gz ZRRNUOJEKYCKAU-UHFFFAOYSA-N 1 1 371.361 0.909 20 5 FCBDMO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001609289944 1289057389 /nfs/dbraw/zinc/05/73/89/1289057389.db2.gz XSHRIUCBHVTSLD-VIFPVBQESA-N 1 1 367.391 0.147 20 5 FCBDMO C[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC001609376334 1289128143 /nfs/dbraw/zinc/12/81/43/1289128143.db2.gz NIOCMSSXILKKSL-TXEJJXNPSA-N 1 1 361.406 0.662 20 5 FCBDMO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001607077081 1288650694 /nfs/dbraw/zinc/65/06/94/1288650694.db2.gz KEFBISFYBGUVRN-RYUDHWBXSA-N 1 1 360.378 0.205 20 5 FCBDMO CN(CC[N@@H+](C)CCCNC(=O)C(F)(F)F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001699001615 1289541865 /nfs/dbraw/zinc/54/18/65/1289541865.db2.gz LFWQTUYFIQRYHM-NXEZZACHSA-N 1 1 354.329 0.110 20 5 FCBDMO CN(CC[N@H+](C)CCCNC(=O)C(F)(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001699001615 1289541868 /nfs/dbraw/zinc/54/18/68/1289541868.db2.gz LFWQTUYFIQRYHM-NXEZZACHSA-N 1 1 354.329 0.110 20 5 FCBDMO CN(CC[N@@H+](C)CCCNC(=O)C(F)(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001699001615 1289541873 /nfs/dbraw/zinc/54/18/73/1289541873.db2.gz LFWQTUYFIQRYHM-NXEZZACHSA-N 1 1 354.329 0.110 20 5 FCBDMO CN(C)C(=O)c1cccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001699257028 1289547556 /nfs/dbraw/zinc/54/75/56/1289547556.db2.gz JNKSTRZHXWSLNL-OBMMGQTPSA-N 1 1 360.414 0.816 20 5 FCBDMO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCn1cnc2ccccc2c1=O ZINC001753048923 1290618523 /nfs/dbraw/zinc/61/85/23/1290618523.db2.gz KTQAPMGBAGNXEG-UKRRQHHQSA-N 1 1 359.386 0.110 20 5 FCBDMO CN(Cc1ccco1)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001690273997 1294862587 /nfs/dbraw/zinc/86/25/87/1294862587.db2.gz BQVLFECKIJQDPB-HBJVGIJOSA-N 1 1 350.375 0.140 20 5 FCBDMO Nc1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164740521 720717733 /nfs/dbraw/zinc/71/77/33/720717733.db2.gz QROFRKNYXFRCNX-RYUDHWBXSA-N 1 1 357.374 0.704 20 5 FCBDMO CCC1(NC(=O)C[N@@H+](C)C(C)C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001069368371 837528966 /nfs/dbraw/zinc/52/89/66/837528966.db2.gz TVWGTSHUEKJFEK-ZIAGYGMSSA-N 1 1 354.451 0.879 20 5 FCBDMO CCC1(NC(=O)C[N@H+](C)C(C)C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001069368371 837528972 /nfs/dbraw/zinc/52/89/72/837528972.db2.gz TVWGTSHUEKJFEK-ZIAGYGMSSA-N 1 1 354.451 0.879 20 5 FCBDMO CCC1(NC(=O)C[N@@H+](C)C(C)C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001069368371 837528981 /nfs/dbraw/zinc/52/89/81/837528981.db2.gz TVWGTSHUEKJFEK-ZIAGYGMSSA-N 1 1 354.451 0.879 20 5 FCBDMO CCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001069424887 837529857 /nfs/dbraw/zinc/52/98/57/837529857.db2.gz LVCFXQFJSNHRTJ-ZIAGYGMSSA-N 1 1 354.451 0.879 20 5 FCBDMO CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001069424887 837529861 /nfs/dbraw/zinc/52/98/61/837529861.db2.gz LVCFXQFJSNHRTJ-ZIAGYGMSSA-N 1 1 354.451 0.879 20 5 FCBDMO CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001069424887 837529865 /nfs/dbraw/zinc/52/98/65/837529865.db2.gz LVCFXQFJSNHRTJ-ZIAGYGMSSA-N 1 1 354.451 0.879 20 5 FCBDMO C[NH+]1CCN(C(=O)CNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000749147288 836344300 /nfs/dbraw/zinc/34/43/00/836344300.db2.gz GUKAULUKLDPALZ-UHFFFAOYSA-N 1 1 358.196 0.938 20 5 FCBDMO C[NH+](C)CCCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060801110 836672752 /nfs/dbraw/zinc/67/27/52/836672752.db2.gz QGUAZDRDYGGAFD-KBUPBQIOSA-N 1 1 354.451 0.785 20 5 FCBDMO O=C(CC[NH+]1CCCCC1)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001063340949 836763865 /nfs/dbraw/zinc/76/38/65/836763865.db2.gz DXKZEESKCWILPI-ZIAGYGMSSA-N 1 1 352.435 0.683 20 5 FCBDMO CCN(C(=O)C(C)(C)[NH+]1CCCC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080207837 839684420 /nfs/dbraw/zinc/68/44/20/839684420.db2.gz XCTRJOALMQWJHP-ZIAGYGMSSA-N 1 1 352.435 0.585 20 5 FCBDMO O=C(C[NH2+][C@@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)N1CCCCCC1 ZINC001086363521 842127280 /nfs/dbraw/zinc/12/72/80/842127280.db2.gz ZAEQMJDSHMMXTB-KBUPBQIOSA-N 1 1 352.435 0.539 20 5 FCBDMO O=C(C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1)NCC1CC1 ZINC001115530802 846561452 /nfs/dbraw/zinc/56/14/52/846561452.db2.gz RZVRPLJUYPWZTE-ZIAGYGMSSA-N 1 1 352.435 0.587 20 5 FCBDMO CN(C(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)C1CC1 ZINC001121081706 848316050 /nfs/dbraw/zinc/31/60/50/848316050.db2.gz QLICFSSTQJKKKW-KOHUUAEOSA-N 1 1 350.419 0.289 20 5 FCBDMO C[C@@H](C(=O)NCC(=O)N1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC001123990343 848664127 /nfs/dbraw/zinc/66/41/27/848664127.db2.gz ABEDVEORZPCYFX-LLVKDONJSA-N 1 1 352.366 0.728 20 5 FCBDMO Cc1ccc(Cl)cc1NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936681 848713755 /nfs/dbraw/zinc/71/37/55/848713755.db2.gz QKAINADLFVJQBT-DGCLKSJQSA-N 1 1 354.794 0.958 20 5 FCBDMO Cc1c(Cl)cccc1NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126942639 848715074 /nfs/dbraw/zinc/71/50/74/848715074.db2.gz CUKIHGZALRKLPA-ZWNOBZJWSA-N 1 1 354.794 0.958 20 5 FCBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccc(F)c(F)c1 ZINC001157767174 849991939 /nfs/dbraw/zinc/99/19/39/849991939.db2.gz IPIWHBRLFWNWDZ-ZWNOBZJWSA-N 1 1 356.329 0.664 20 5 FCBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])NC1CCCCCCC1 ZINC001157775317 849993700 /nfs/dbraw/zinc/99/37/00/849993700.db2.gz ORKWYTQVQDNWIZ-HUUCEWRRSA-N 1 1 354.451 0.977 20 5 FCBDMO CCc1ccc(CNC(=O)C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001157775635 849994839 /nfs/dbraw/zinc/99/48/39/849994839.db2.gz SZHRPVKBEFCMRA-ZIAGYGMSSA-N 1 1 368.459 0.688 20 5 FCBDMO Cc1cc(OCC(=O)NCC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001159916618 850146425 /nfs/dbraw/zinc/14/64/25/850146425.db2.gz UCZQZSILBGPXPE-UHFFFAOYSA-N 1 1 350.375 0.172 20 5 FCBDMO O=C([C@H]1COC[C@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]21)N1CCCO1 ZINC001169026625 850603020 /nfs/dbraw/zinc/60/30/20/850603020.db2.gz YDMZFWMDRJWSKD-GCSSGZNBSA-N 1 1 353.419 0.790 20 5 FCBDMO O=C([C@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)O1)N1CCOCC1 ZINC001169023565 850603486 /nfs/dbraw/zinc/60/34/86/850603486.db2.gz PAODYYSISRYKGH-OXGONZEZSA-N 1 1 353.419 0.522 20 5 FCBDMO CC(=O)N(C)Cc1nnc2n1CCC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169023612 850603565 /nfs/dbraw/zinc/60/35/65/850603565.db2.gz PDYLUYMXLXMNAJ-KGLIPLIRSA-N 1 1 350.423 0.908 20 5 FCBDMO CC(=O)N(C)Cc1nnc2n1CCC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169023612 850603568 /nfs/dbraw/zinc/60/35/68/850603568.db2.gz PDYLUYMXLXMNAJ-KGLIPLIRSA-N 1 1 350.423 0.908 20 5 FCBDMO CCOC(=O)C1C[NH2+]CCC1=Nc1cnc([N+](=O)[O-])cc1C(=O)OC ZINC001170521293 850657588 /nfs/dbraw/zinc/65/75/88/850657588.db2.gz TYSUEGWSOPSOGS-UHFFFAOYSA-N 1 1 350.331 0.999 20 5 FCBDMO Cc1noc(CCC[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001205224718 853601174 /nfs/dbraw/zinc/60/11/74/853601174.db2.gz XPMTVUFFGXPERI-ZIAGYGMSSA-N 1 1 351.407 0.804 20 5 FCBDMO COCCn1c(C[N+](=O)[O-])nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001263260690 859140304 /nfs/dbraw/zinc/14/03/04/859140304.db2.gz IRTWKCYGMUFWPJ-BETUJISGSA-N 1 1 356.427 0.247 20 5 FCBDMO COCCn1c(C[N+](=O)[O-])nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001263260690 859140306 /nfs/dbraw/zinc/14/03/06/859140306.db2.gz IRTWKCYGMUFWPJ-BETUJISGSA-N 1 1 356.427 0.247 20 5 FCBDMO CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@H]1CC[N@H+]1C ZINC001303899605 866479449 /nfs/dbraw/zinc/47/94/49/866479449.db2.gz PISWEYQCDPLQTB-GHMZBOCLSA-N 1 1 370.431 0.860 20 5 FCBDMO NS(=O)(=O)c1ccc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])c1 ZINC001307226162 866650868 /nfs/dbraw/zinc/65/08/68/866650868.db2.gz CKXUQIPZVARDBC-STQMWFEESA-N 1 1 370.431 0.278 20 5 FCBDMO C[N@@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CC[C@H]1CCOC1=O ZINC001307871479 866680543 /nfs/dbraw/zinc/68/05/43/866680543.db2.gz DARAQVRGJIDOCR-LBPRGKRZSA-N 1 1 371.415 0.758 20 5 FCBDMO NS(=O)(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001308009652 866689884 /nfs/dbraw/zinc/68/98/84/866689884.db2.gz UIOTXAIMMLSNIY-QWHCGFSZSA-N 1 1 373.431 0.478 20 5 FCBDMO NS(=O)(=O)C[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001308009652 866689892 /nfs/dbraw/zinc/68/98/92/866689892.db2.gz UIOTXAIMMLSNIY-QWHCGFSZSA-N 1 1 373.431 0.478 20 5 FCBDMO COCCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001355663680 867832368 /nfs/dbraw/zinc/83/23/68/867832368.db2.gz SSOZCSRWGUQTNO-CHWSQXEVSA-N 1 1 354.411 0.173 20 5 FCBDMO CN1CCN(CCC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC001336712608 874030971 /nfs/dbraw/zinc/03/09/71/874030971.db2.gz DNVISQRDRHAHMF-MRXNPFEDSA-N 1 1 352.435 0.562 20 5 FCBDMO CN(CC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccccc1[N+](=O)[O-] ZINC000295374343 214294834 /nfs/dbraw/zinc/29/48/34/214294834.db2.gz GODCFHARZUKJPA-CQSZACIVSA-N 1 1 350.419 0.994 20 5 FCBDMO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000296343868 214344860 /nfs/dbraw/zinc/34/48/60/214344860.db2.gz VPJUAPKYZIMCJZ-HNNXBMFYSA-N 1 1 371.459 0.904 20 5 FCBDMO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000265184104 210071389 /nfs/dbraw/zinc/07/13/89/210071389.db2.gz DDSKRSKMKOXOKH-UHFFFAOYSA-N 1 1 364.402 0.839 20 5 FCBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000285760910 213392125 /nfs/dbraw/zinc/39/21/25/213392125.db2.gz LZGIYYOMNCURNF-GJZGRUSLSA-N 1 1 362.386 0.256 20 5 FCBDMO CN(C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1)S(C)(=O)=O ZINC000285217238 213305797 /nfs/dbraw/zinc/30/57/97/213305797.db2.gz AFWLZXDONGJUJA-ZDUSSCGKSA-N 1 1 372.447 0.360 20 5 FCBDMO CN(C)C(=O)[C@@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000411947527 237118827 /nfs/dbraw/zinc/11/88/27/237118827.db2.gz UBXITLBAXFONHD-SNVBAGLBSA-N 1 1 364.358 0.672 20 5 FCBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000411947527 237118833 /nfs/dbraw/zinc/11/88/33/237118833.db2.gz UBXITLBAXFONHD-SNVBAGLBSA-N 1 1 364.358 0.672 20 5 FCBDMO COCC[N@H+]1CC[C@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000366919086 216050691 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C[N@@H+]1C[C@H]2CN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000427784170 489621035 /nfs/dbraw/zinc/62/10/35/489621035.db2.gz NCLJQLVQGPLLOW-OKILXGFUSA-N 1 1 361.402 0.414 20 5 FCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000457104055 489635832 /nfs/dbraw/zinc/63/58/32/489635832.db2.gz CUSAEJYWFXEMHS-STQMWFEESA-N 1 1 364.402 0.238 20 5 FCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000457104055 489635833 /nfs/dbraw/zinc/63/58/33/489635833.db2.gz CUSAEJYWFXEMHS-STQMWFEESA-N 1 1 364.402 0.238 20 5 FCBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000489998478 489740050 /nfs/dbraw/zinc/74/00/50/489740050.db2.gz JRVGTRNTKQGBQW-SECBINFHSA-N 1 1 356.429 0.603 20 5 FCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000474302181 489753091 /nfs/dbraw/zinc/75/30/91/489753091.db2.gz KTHPIBWLZKUYBU-ZDUSSCGKSA-N 1 1 364.402 0.552 20 5 FCBDMO Cc1cc(OCC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000431645067 489814415 /nfs/dbraw/zinc/81/44/15/489814415.db2.gz NETLMUHZDCVHKT-HNNXBMFYSA-N 1 1 364.402 0.738 20 5 FCBDMO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](CO)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000494812914 489914455 /nfs/dbraw/zinc/91/44/55/489914455.db2.gz VJAROSLNEKIULV-YGRLFVJLSA-N 1 1 363.374 0.987 20 5 FCBDMO C[NH2+]C[C@@H](C)CNc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000420189043 489945937 /nfs/dbraw/zinc/94/59/37/489945937.db2.gz FSUKSGSOPUPQOD-GFCCVEGCSA-N 1 1 373.479 0.702 20 5 FCBDMO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000377739716 489951283 /nfs/dbraw/zinc/95/12/83/489951283.db2.gz JIRQNXYJHPDMPL-INIZCTEOSA-N 1 1 362.430 0.660 20 5 FCBDMO O=C1NCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1CC1CCCCC1 ZINC000421028491 490044423 /nfs/dbraw/zinc/04/44/23/490044423.db2.gz AHCLEGCAWAJNCZ-CVEARBPZSA-N 1 1 365.434 0.923 20 5 FCBDMO O=C1NCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1CC1CCCCC1 ZINC000421028491 490044427 /nfs/dbraw/zinc/04/44/27/490044427.db2.gz AHCLEGCAWAJNCZ-CVEARBPZSA-N 1 1 365.434 0.923 20 5 FCBDMO O=C(CN1CC[NH+]([C@@H]2CCOC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000378400526 490060230 /nfs/dbraw/zinc/06/02/30/490060230.db2.gz SPHZFYWUEPZEAD-MRXNPFEDSA-N 1 1 360.414 0.890 20 5 FCBDMO Cc1c(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000545156709 490086627 /nfs/dbraw/zinc/08/66/27/490086627.db2.gz BOUXLFWVSZSLRY-INIZCTEOSA-N 1 1 360.374 0.280 20 5 FCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000545382894 490125569 /nfs/dbraw/zinc/12/55/69/490125569.db2.gz BTXNCCKLNHKJGE-SFHVURJKSA-N 1 1 371.397 0.939 20 5 FCBDMO COc1cc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1C ZINC000479886833 490132598 /nfs/dbraw/zinc/13/25/98/490132598.db2.gz XIYFGENNRYZUIY-KRWDZBQOSA-N 1 1 367.402 0.725 20 5 FCBDMO CC(C)N1CC[NH+](C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 ZINC000497520562 490172366 /nfs/dbraw/zinc/17/23/66/490172366.db2.gz OESRIAYELOVSHR-UHFFFAOYSA-N 1 1 350.423 0.949 20 5 FCBDMO COc1ccc(CC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000520717938 490182089 /nfs/dbraw/zinc/18/20/89/490182089.db2.gz ZOZCTKAHQCIPLJ-CYBMUJFWSA-N 1 1 350.419 0.898 20 5 FCBDMO Cc1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000507392622 490213848 /nfs/dbraw/zinc/21/38/48/490213848.db2.gz TVLXSRKPKNWDGT-UHFFFAOYSA-N 1 1 370.431 0.346 20 5 FCBDMO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000508517139 490334315 /nfs/dbraw/zinc/33/43/15/490334315.db2.gz ZTNOPGABBDZRDR-UHFFFAOYSA-N 1 1 352.395 0.253 20 5 FCBDMO Cc1c(C(=O)NC[C@H]2CC[N@H+](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000467959035 490352317 /nfs/dbraw/zinc/35/23/17/490352317.db2.gz OZLHVFLSQANIHB-SNVBAGLBSA-N 1 1 356.404 0.232 20 5 FCBDMO C[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)CN1CC[NH+](C)CC1 ZINC000522265182 490362110 /nfs/dbraw/zinc/36/21/10/490362110.db2.gz KKSOACVCZOICTC-ZDUSSCGKSA-N 1 1 352.439 0.526 20 5 FCBDMO C[C@H](CO)[N@H+]1CCCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000468749561 490442949 /nfs/dbraw/zinc/44/29/49/490442949.db2.gz NGNVZBIIGKDMGJ-LLVKDONJSA-N 1 1 358.420 0.135 20 5 FCBDMO Cc1nc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)ncc1[N+](=O)[O-] ZINC000450311220 490459413 /nfs/dbraw/zinc/45/94/13/490459413.db2.gz GXERYZKRPZQFHK-OAHLLOKOSA-N 1 1 364.450 0.924 20 5 FCBDMO NS(=O)(=O)c1cccc(NC[C@@H]2CCC[N@H+]2CCCO)c1[N+](=O)[O-] ZINC000450595188 490477313 /nfs/dbraw/zinc/47/73/13/490477313.db2.gz LPCMPPJIEHQQSW-NSHDSACASA-N 1 1 358.420 0.501 20 5 FCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCCS2(=O)=O)cc1 ZINC000564852818 491331343 /nfs/dbraw/zinc/33/13/43/491331343.db2.gz RHPYOLCLBAVGJJ-ZDUSSCGKSA-N 1 1 362.429 0.535 20 5 FCBDMO C[C@@H]1CC[NH2+]CC[C@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422948363 490504791 /nfs/dbraw/zinc/50/47/91/490504791.db2.gz RWTXGIMRHYLPMR-IUODEOHRSA-N 1 1 356.448 0.851 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC[N@H+](C)C1 ZINC000413905231 490510024 /nfs/dbraw/zinc/51/00/24/490510024.db2.gz QJROEPOSYUPFEX-NSHDSACASA-N 1 1 351.359 0.780 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC[N@@H+](C)C1 ZINC000413905231 490510031 /nfs/dbraw/zinc/51/00/31/490510031.db2.gz QJROEPOSYUPFEX-NSHDSACASA-N 1 1 351.359 0.780 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC[N@H+](C)C1 ZINC000413906867 490512481 /nfs/dbraw/zinc/51/24/81/490512481.db2.gz SDZKJLKWCZRRID-NSHDSACASA-N 1 1 351.359 0.780 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC[N@@H+](C)C1 ZINC000413906867 490512489 /nfs/dbraw/zinc/51/24/89/490512489.db2.gz SDZKJLKWCZRRID-NSHDSACASA-N 1 1 351.359 0.780 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000524420094 490536491 /nfs/dbraw/zinc/53/64/91/490536491.db2.gz QIZCZJKKMIQOQQ-ZDUSSCGKSA-N 1 1 364.402 0.677 20 5 FCBDMO Cn1cc(S(=O)(=O)NCC[N@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000511072625 490558990 /nfs/dbraw/zinc/55/89/90/490558990.db2.gz GJOIKPIFAZUSFO-UHFFFAOYSA-N 1 1 367.431 0.781 20 5 FCBDMO Cn1cc(S(=O)(=O)NCC[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000511072625 490558996 /nfs/dbraw/zinc/55/89/96/490558996.db2.gz GJOIKPIFAZUSFO-UHFFFAOYSA-N 1 1 367.431 0.781 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000536207877 490561389 /nfs/dbraw/zinc/56/13/89/490561389.db2.gz GCWUJZZBBZETPI-UHFFFAOYSA-N 1 1 353.423 0.795 20 5 FCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000500901988 490561564 /nfs/dbraw/zinc/56/15/64/490561564.db2.gz MRQFHRYUNMQKON-UHFFFAOYSA-N 1 1 372.385 0.968 20 5 FCBDMO O=C1NC(=O)C2(CC[NH+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)N1 ZINC000536343285 490570178 /nfs/dbraw/zinc/57/01/78/490570178.db2.gz IIXSKCSNOYXCMM-CYBMUJFWSA-N 1 1 373.369 0.374 20 5 FCBDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000485930904 490573136 /nfs/dbraw/zinc/57/31/36/490573136.db2.gz JDOKNLLAEMPYJS-BXUZGUMPSA-N 1 1 370.431 0.187 20 5 FCBDMO Cn1cc[nH+]c1N1CCC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000549353185 490578871 /nfs/dbraw/zinc/57/88/71/490578871.db2.gz APNAKOHSZGQYBT-UHFFFAOYSA-N 1 1 360.374 0.275 20 5 FCBDMO C[C@](O)(CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C[NH+]1CCOCC1 ZINC000486550687 490645269 /nfs/dbraw/zinc/64/52/69/490645269.db2.gz QIDARUMMCTWNPT-INIZCTEOSA-N 1 1 373.356 0.615 20 5 FCBDMO CN(CC(=O)Nc1ccncc1[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000512016307 490651198 /nfs/dbraw/zinc/65/11/98/490651198.db2.gz CUYSBLNYSDYZME-UHFFFAOYSA-N 1 1 366.355 0.377 20 5 FCBDMO Cc1c(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000512167302 490663746 /nfs/dbraw/zinc/66/37/46/490663746.db2.gz WWGUJZOUUYRNMC-UWVGGRQHSA-N 1 1 370.431 0.715 20 5 FCBDMO Cc1c(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000512167302 490663749 /nfs/dbraw/zinc/66/37/49/490663749.db2.gz WWGUJZOUUYRNMC-UWVGGRQHSA-N 1 1 370.431 0.715 20 5 FCBDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000512340915 490676092 /nfs/dbraw/zinc/67/60/92/490676092.db2.gz ARDPEYDTMHEIDY-UHFFFAOYSA-N 1 1 366.422 0.357 20 5 FCBDMO CC[N@H+](CCOCCO)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000503432753 490756368 /nfs/dbraw/zinc/75/63/68/490756368.db2.gz OOEJRDVRMSGSMV-UHFFFAOYSA-N 1 1 355.347 0.593 20 5 FCBDMO CC[N@@H+](CCOCCO)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000503432753 490756371 /nfs/dbraw/zinc/75/63/71/490756371.db2.gz OOEJRDVRMSGSMV-UHFFFAOYSA-N 1 1 355.347 0.593 20 5 FCBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000538917709 490756868 /nfs/dbraw/zinc/75/68/68/490756868.db2.gz GLDOSPLGUUPGTD-STQMWFEESA-N 1 1 363.418 0.945 20 5 FCBDMO O=C(NCC[NH+]1CCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000503667649 490770274 /nfs/dbraw/zinc/77/02/74/490770274.db2.gz RWMRVVZYWLJQHP-UHFFFAOYSA-N 1 1 358.301 0.957 20 5 FCBDMO CC(C)(C)NC(=O)CNC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488731326 490773599 /nfs/dbraw/zinc/77/35/99/490773599.db2.gz JCXQCIINWKMIDW-UHFFFAOYSA-N 1 1 366.422 0.459 20 5 FCBDMO COc1ccc(NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000541098638 490850206 /nfs/dbraw/zinc/85/02/06/490850206.db2.gz KWSKZSWJWZGTEU-INIZCTEOSA-N 1 1 368.390 0.808 20 5 FCBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541281729 490857136 /nfs/dbraw/zinc/85/71/36/490857136.db2.gz HQTYIIRAQCDPKX-OLZOCXBDSA-N 1 1 373.431 0.348 20 5 FCBDMO COc1ccc(CC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000530886684 490930205 /nfs/dbraw/zinc/93/02/05/490930205.db2.gz YPEQJENAWYXEBR-QGZVFWFLSA-N 1 1 367.402 0.345 20 5 FCBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000543838313 490949160 /nfs/dbraw/zinc/94/91/60/490949160.db2.gz DLOQPOKHUVNWPF-OAHLLOKOSA-N 1 1 359.386 0.674 20 5 FCBDMO C[N@H+]1CCN(CCNS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1(C)C ZINC000562529523 491171924 /nfs/dbraw/zinc/17/19/24/491171924.db2.gz XDCUEZQCDSJRAN-UHFFFAOYSA-N 1 1 357.436 0.294 20 5 FCBDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)CC1=O ZINC000573311196 491425805 /nfs/dbraw/zinc/42/58/05/491425805.db2.gz SYFQESUMMSULHV-LBPRGKRZSA-N 1 1 370.431 0.565 20 5 FCBDMO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000566455445 491445075 /nfs/dbraw/zinc/44/50/75/491445075.db2.gz NFTMTGAJCVZWFU-UHFFFAOYSA-N 1 1 352.395 0.381 20 5 FCBDMO C[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000559280487 491460468 /nfs/dbraw/zinc/46/04/68/491460468.db2.gz LLVAFSOAMPGAAH-VIFPVBQESA-N 1 1 356.404 0.455 20 5 FCBDMO C[C@@H]1COCC[N@@H+]1C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000559640861 491488923 /nfs/dbraw/zinc/48/89/23/491488923.db2.gz SSQYJUMVKYCPPN-CZUORRHYSA-N 1 1 353.423 0.337 20 5 FCBDMO C[C@@H]1COCC[N@H+]1C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000559640861 491488924 /nfs/dbraw/zinc/48/89/24/491488924.db2.gz 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CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000610913990 492269421 /nfs/dbraw/zinc/26/94/21/492269421.db2.gz IBFQABNFYITXQR-WCFLWFBJSA-N 1 1 368.438 0.663 20 5 FCBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000610913990 492269424 /nfs/dbraw/zinc/26/94/24/492269424.db2.gz IBFQABNFYITXQR-WCFLWFBJSA-N 1 1 368.438 0.663 20 5 FCBDMO COC(=O)c1cc(C(=O)N2CC[NH+](C(C)(C)CO)CC2)cc([N+](=O)[O-])c1 ZINC000611165880 492280040 /nfs/dbraw/zinc/28/00/40/492280040.db2.gz FGYYGBYRXXWAIN-UHFFFAOYSA-N 1 1 365.386 0.910 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000611244185 492282695 /nfs/dbraw/zinc/28/26/95/492282695.db2.gz HCLQOAXYIXOVMX-HNNXBMFYSA-N 1 1 363.418 0.171 20 5 FCBDMO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000611462943 492288708 /nfs/dbraw/zinc/28/87/08/492288708.db2.gz OMLSWUOMORGQBC-AWEZNQCLSA-N 1 1 351.407 0.485 20 5 FCBDMO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000611462943 492288709 /nfs/dbraw/zinc/28/87/09/492288709.db2.gz OMLSWUOMORGQBC-AWEZNQCLSA-N 1 1 351.407 0.485 20 5 FCBDMO COc1ccc(NC(=O)CC[N@@H+]2CCOC[C@H]2CC(N)=O)c([N+](=O)[O-])c1 ZINC000411879478 534065775 /nfs/dbraw/zinc/06/57/75/534065775.db2.gz RYKQBPJWQSMMSG-LLVKDONJSA-N 1 1 366.374 0.508 20 5 FCBDMO COc1ccc(NC(=O)CC[N@H+]2CCOC[C@H]2CC(N)=O)c([N+](=O)[O-])c1 ZINC000411879478 534065783 /nfs/dbraw/zinc/06/57/83/534065783.db2.gz RYKQBPJWQSMMSG-LLVKDONJSA-N 1 1 366.374 0.508 20 5 FCBDMO CNS(=O)(=O)c1ccc(N2CC[NH+](CCOC)CC2)c([N+](=O)[O-])c1 ZINC000196462497 546592519 /nfs/dbraw/zinc/59/25/19/546592519.db2.gz PSJLIGWXERBQFP-UHFFFAOYSA-N 1 1 358.420 0.271 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000545466146 546886968 /nfs/dbraw/zinc/88/69/68/546886968.db2.gz ZDQHMCCMQIVUBA-LBPRGKRZSA-N 1 1 370.431 0.461 20 5 FCBDMO C[C@@H](CN1CCN(C)CC1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591736276 546939163 /nfs/dbraw/zinc/93/91/63/546939163.db2.gz NAKIGLFMBNLALW-LSDHHAIUSA-N 1 1 352.435 0.560 20 5 FCBDMO CCn1cc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])n1 ZINC000549903704 547017779 /nfs/dbraw/zinc/01/77/79/547017779.db2.gz NDFQUBYOZKEBTE-CQSZACIVSA-N 1 1 357.436 0.918 20 5 FCBDMO Cn1cc[nH+]c1N1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000737616141 598933780 /nfs/dbraw/zinc/93/37/80/598933780.db2.gz OFAFFQFFLVZVHR-UHFFFAOYSA-N 1 1 355.362 0.835 20 5 FCBDMO C[C@H](O)C[N@@H+](C)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736144669 598501893 /nfs/dbraw/zinc/50/18/93/598501893.db2.gz QJGVEKKLPDFSBW-JTQLQIEISA-N 1 1 362.394 0.451 20 5 FCBDMO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000821613234 599303856 /nfs/dbraw/zinc/30/38/56/599303856.db2.gz DCTNLHBGRIWLSC-AWEZNQCLSA-N 1 1 358.362 0.464 20 5 FCBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000953929003 674486575 /nfs/dbraw/zinc/48/65/75/674486575.db2.gz RFRLKKQEKJKIGO-HUUCEWRRSA-N 1 1 352.435 0.443 20 5 FCBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000954242698 674493037 /nfs/dbraw/zinc/49/30/37/674493037.db2.gz OSDAXWMPDPVEDN-ZIAGYGMSSA-N 1 1 350.419 0.197 20 5 FCBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1[NH+]1CCOCC1 ZINC000820776960 606226454 /nfs/dbraw/zinc/22/64/54/606226454.db2.gz OEPLFNMXSRPOCF-MFKMUULPSA-N 1 1 360.378 0.327 20 5 FCBDMO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000821583491 606734846 /nfs/dbraw/zinc/73/48/46/606734846.db2.gz XOIRLXOHXFCFKH-VIFPVBQESA-N 1 1 367.391 0.100 20 5 FCBDMO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000821583490 606735187 /nfs/dbraw/zinc/73/51/87/606735187.db2.gz XOIRLXOHXFCFKH-SECBINFHSA-N 1 1 367.391 0.100 20 5 FCBDMO Cc1cc(F)cc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000177131221 663959439 /nfs/dbraw/zinc/95/94/39/663959439.db2.gz PVTHQWAMCLBTLJ-UHFFFAOYSA-N 1 1 352.366 0.936 20 5 FCBDMO C[NH+]1CCC(CC(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000979753103 664462623 /nfs/dbraw/zinc/46/26/23/664462623.db2.gz PNYVMBKCQMVIJO-KBUPBQIOSA-N 1 1 352.435 0.395 20 5 FCBDMO C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896567004 665095094 /nfs/dbraw/zinc/09/50/94/665095094.db2.gz XVZMKTFMUOLDDH-NHYWBVRUSA-N 1 1 354.382 0.863 20 5 FCBDMO C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CN(C)CCN1C ZINC000896567004 665095095 /nfs/dbraw/zinc/09/50/95/665095095.db2.gz XVZMKTFMUOLDDH-NHYWBVRUSA-N 1 1 354.382 0.863 20 5 FCBDMO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H](O)C[C@]3(O)CCOC3)CC2)c1 ZINC000905912907 666042274 /nfs/dbraw/zinc/04/22/74/666042274.db2.gz LJCYJXLBISGXIQ-DLBZAZTESA-N 1 1 351.403 0.619 20 5 FCBDMO COc1coc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1=O ZINC000996441949 666920819 /nfs/dbraw/zinc/92/08/19/666920819.db2.gz SOBBEAQSFKXELH-CHWSQXEVSA-N 1 1 351.359 0.394 20 5 FCBDMO C[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCN1C ZINC000919998701 667216287 /nfs/dbraw/zinc/21/62/87/667216287.db2.gz BNNUPXBMWPHYDV-XJKSGUPXSA-N 1 1 370.475 0.691 20 5 FCBDMO C[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000919998701 667216291 /nfs/dbraw/zinc/21/62/91/667216291.db2.gz BNNUPXBMWPHYDV-XJKSGUPXSA-N 1 1 370.475 0.691 20 5 FCBDMO Cc1ccc(S(=O)(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000920023138 667220727 /nfs/dbraw/zinc/22/07/27/667220727.db2.gz XWLYSCHXVMDZRA-IUODEOHRSA-N 1 1 356.448 0.816 20 5 FCBDMO Cc1ccc(S(=O)(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000920023138 667220728 /nfs/dbraw/zinc/22/07/28/667220728.db2.gz XWLYSCHXVMDZRA-IUODEOHRSA-N 1 1 356.448 0.816 20 5 FCBDMO Cc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000920023136 667220789 /nfs/dbraw/zinc/22/07/89/667220789.db2.gz XWLYSCHXVMDZRA-DOMZBBRYSA-N 1 1 356.448 0.816 20 5 FCBDMO Cc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000920023136 667220790 /nfs/dbraw/zinc/22/07/90/667220790.db2.gz XWLYSCHXVMDZRA-DOMZBBRYSA-N 1 1 356.448 0.816 20 5 FCBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CC1 ZINC000753445353 667553766 /nfs/dbraw/zinc/55/37/66/667553766.db2.gz KESINPOCTOQRBQ-UHFFFAOYSA-N 1 1 352.366 0.983 20 5 FCBDMO C[NH+]1CCC(CC(=O)NC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000946706686 667708756 /nfs/dbraw/zinc/70/87/56/667708756.db2.gz JGTHHSXRVCKODY-HUUCEWRRSA-N 1 1 352.435 0.491 20 5 FCBDMO CCn1c(C)nnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001034644034 667762050 /nfs/dbraw/zinc/76/20/50/667762050.db2.gz YUKYXAOTWSPQNB-AAVRWANBSA-N 1 1 350.423 0.789 20 5 FCBDMO C[NH+]1CCN(C(=O)CNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000761891904 667897026 /nfs/dbraw/zinc/89/70/26/667897026.db2.gz PIQBFYPJHROHAG-UHFFFAOYSA-N 1 1 358.196 0.938 20 5 FCBDMO NC(=O)[C@H]1CCC[N@H+](CCCNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819004488 668969929 /nfs/dbraw/zinc/96/99/29/668969929.db2.gz POVRBKSRGHQNAT-HOCLYGCPSA-N 1 1 350.419 0.805 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819004488 668969931 /nfs/dbraw/zinc/96/99/31/668969931.db2.gz POVRBKSRGHQNAT-HOCLYGCPSA-N 1 1 350.419 0.805 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@H+](CCCNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819004489 668970042 /nfs/dbraw/zinc/97/00/42/668970042.db2.gz POVRBKSRGHQNAT-ZBFHGGJFSA-N 1 1 350.419 0.805 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819004489 668970045 /nfs/dbraw/zinc/97/00/45/668970045.db2.gz POVRBKSRGHQNAT-ZBFHGGJFSA-N 1 1 350.419 0.805 20 5 FCBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000795085289 669010654 /nfs/dbraw/zinc/01/06/54/669010654.db2.gz ICXQEHMFLSBSCO-NWDGAFQWSA-N 1 1 371.415 0.745 20 5 FCBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000795085289 669010658 /nfs/dbraw/zinc/01/06/58/669010658.db2.gz ICXQEHMFLSBSCO-NWDGAFQWSA-N 1 1 371.415 0.745 20 5 FCBDMO C[N@H+]1CCN(CCNS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1(C)C ZINC000799824364 669318285 /nfs/dbraw/zinc/31/82/85/669318285.db2.gz UQZMNPFBTQBMQL-UHFFFAOYSA-N 1 1 362.477 0.961 20 5 FCBDMO O=C(NC1CC2(C1)CC([NH2+]CCN1CCCC1=O)C2)[C@@H]1CC1[N+](=O)[O-] ZINC000963790293 675003907 /nfs/dbraw/zinc/00/39/07/675003907.db2.gz JSXCYUHBMMFCOF-FZOOGMQUSA-N 1 1 350.419 0.291 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(c3ccnc(F)c3)CC2)c1 ZINC000831454223 669846481 /nfs/dbraw/zinc/84/64/81/669846481.db2.gz GVVMDTDPJCULHM-AWEZNQCLSA-N 1 1 350.354 0.509 20 5 FCBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000967949833 675166214 /nfs/dbraw/zinc/16/62/14/675166214.db2.gz KXLBIDSJUNGFMQ-ZIAGYGMSSA-N 1 1 350.419 0.339 20 5 FCBDMO O=[N+]([O-])c1nn(CN2CC[NH+]([C@@H]3CCOC3)CC2)cc1Br ZINC000853554384 671549999 /nfs/dbraw/zinc/54/99/99/671549999.db2.gz WVVUTKDPPQRMDY-SNVBAGLBSA-N 1 1 360.212 0.918 20 5 FCBDMO O=C(/C=C\C1CC1)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055551384 676023524 /nfs/dbraw/zinc/02/35/24/676023524.db2.gz QXFIBRKSRRCRKU-LPUOJRKPSA-N 1 1 350.419 0.315 20 5 FCBDMO O=C(NCC1CC[NH+](CCCN2CCCC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001400730 676070853 /nfs/dbraw/zinc/07/08/53/676070853.db2.gz WDNYFMJQQIUVKZ-HUUCEWRRSA-N 1 1 352.435 0.492 20 5 FCBDMO C[N@@H+](CC(=O)N1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CCC1 ZINC001017441666 675411266 /nfs/dbraw/zinc/41/12/66/675411266.db2.gz BSTAYARVTMGHNN-HUUCEWRRSA-N 1 1 350.419 0.411 20 5 FCBDMO C[N@H+](CC(=O)N1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CCC1 ZINC001017441666 675411267 /nfs/dbraw/zinc/41/12/67/675411267.db2.gz BSTAYARVTMGHNN-HUUCEWRRSA-N 1 1 350.419 0.411 20 5 FCBDMO C[N@@H+](CC(=O)N1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CCC1 ZINC001017441666 675411270 /nfs/dbraw/zinc/41/12/70/675411270.db2.gz BSTAYARVTMGHNN-HUUCEWRRSA-N 1 1 350.419 0.411 20 5 FCBDMO Cc1nc(C)n(CC[NH+]2CCC(C)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001045437211 675653833 /nfs/dbraw/zinc/65/38/33/675653833.db2.gz IWVMOEQEDDDFDD-ZIAGYGMSSA-N 1 1 350.423 0.531 20 5 FCBDMO Cn1cc(CN2CCOC3(CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC3)C2)cn1 ZINC000949362263 1169320144 /nfs/dbraw/zinc/32/01/44/1169320144.db2.gz GEIGJDKSOZYMIA-HUUCEWRRSA-N 1 1 363.418 0.279 20 5 FCBDMO CN(CC[NH2+]CC(=O)N1CCc2ccccc2C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001691316938 1171081912 /nfs/dbraw/zinc/08/19/12/1171081912.db2.gz HSDSAYIGDYSWGJ-HZPDHXFCSA-N 1 1 360.414 0.285 20 5 FCBDMO COc1ccc(CNC(=O)N2CCN(C)CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000892210355 1171751585 /nfs/dbraw/zinc/75/15/85/1171751585.db2.gz DJMRLDPPCWOCHG-UHFFFAOYSA-N 1 1 365.434 0.992 20 5 FCBDMO Cn1nnc2cc(C[N@H+]3CCCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)ccc21 ZINC000981136808 1186329823 /nfs/dbraw/zinc/32/98/23/1186329823.db2.gz HKHJTRDKFQPQTE-CZUORRHYSA-N 1 1 358.402 0.668 20 5 FCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000894641504 1188237374 /nfs/dbraw/zinc/23/73/74/1188237374.db2.gz RZESPBPOHWBLNG-MRXNPFEDSA-N 1 1 372.429 0.815 20 5 FCBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000552654949 1193945725 /nfs/dbraw/zinc/94/57/25/1193945725.db2.gz KTVMRHLDRYXUKQ-UHFFFAOYSA-N 1 1 359.386 0.970 20 5 FCBDMO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906652163 1195642552 /nfs/dbraw/zinc/64/25/52/1195642552.db2.gz XIQVYNSPPHGLGG-GFCCVEGCSA-N 1 1 364.402 0.732 20 5 FCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906652163 1195642554 /nfs/dbraw/zinc/64/25/54/1195642554.db2.gz XIQVYNSPPHGLGG-GFCCVEGCSA-N 1 1 364.402 0.732 20 5 FCBDMO Cc1c(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000593853004 1196826262 /nfs/dbraw/zinc/82/62/62/1196826262.db2.gz AJHQVMAKVNHXDT-OAHLLOKOSA-N 1 1 372.385 0.375 20 5 FCBDMO Cc1c(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000593853004 1196826264 /nfs/dbraw/zinc/82/62/64/1196826264.db2.gz AJHQVMAKVNHXDT-OAHLLOKOSA-N 1 1 372.385 0.375 20 5 FCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000793876109 1201273098 /nfs/dbraw/zinc/27/30/98/1201273098.db2.gz WICIMHGNGGFYPD-OLZOCXBDSA-N 1 1 361.402 0.858 20 5 FCBDMO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000808161088 1202875022 /nfs/dbraw/zinc/87/50/22/1202875022.db2.gz QHNYQMZBTZXIPC-XNJGSVPQSA-N 1 1 374.397 0.755 20 5 FCBDMO Cc1cc(NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC001178458545 1206357730 /nfs/dbraw/zinc/35/77/30/1206357730.db2.gz LERTZBJRKALRJB-CHWSQXEVSA-N 1 1 367.406 0.853 20 5 FCBDMO NC(=O)c1ccc(N2CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000776586639 1209543214 /nfs/dbraw/zinc/54/32/14/1209543214.db2.gz OQCPPHQWHAEPDV-MRXNPFEDSA-N 1 1 371.397 0.944 20 5 FCBDMO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000853550309 1209597828 /nfs/dbraw/zinc/59/78/28/1209597828.db2.gz GEFOJNKOEQANOP-LBPRGKRZSA-N 1 1 360.370 0.555 20 5 FCBDMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861709989 1209875893 /nfs/dbraw/zinc/87/58/93/1209875893.db2.gz MOQPHWCVKSWQTO-LSDHHAIUSA-N 1 1 359.386 0.612 20 5 FCBDMO O=Cc1ccc(OCC(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000861712430 1209876331 /nfs/dbraw/zinc/87/63/31/1209876331.db2.gz OHNYURUKWJAVSS-KGLIPLIRSA-N 1 1 363.370 0.454 20 5 FCBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000863327603 1209938990 /nfs/dbraw/zinc/93/89/90/1209938990.db2.gz PLRRKJBMAOOYPJ-CQSZACIVSA-N 1 1 364.402 0.228 20 5 FCBDMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000825869103 1210410957 /nfs/dbraw/zinc/41/09/57/1210410957.db2.gz PBIXCRNAYRGIIJ-RHSMWYFYSA-N 1 1 362.430 0.913 20 5 FCBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000825869103 1210410964 /nfs/dbraw/zinc/41/09/64/1210410964.db2.gz PBIXCRNAYRGIIJ-RHSMWYFYSA-N 1 1 362.430 0.913 20 5 FCBDMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000931873357 1211776677 /nfs/dbraw/zinc/77/66/77/1211776677.db2.gz ZBRRXEODFVFYTK-OAHLLOKOSA-N 1 1 361.402 0.064 20 5 FCBDMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000931873357 1211776681 /nfs/dbraw/zinc/77/66/81/1211776681.db2.gz ZBRRXEODFVFYTK-OAHLLOKOSA-N 1 1 361.402 0.064 20 5 FCBDMO CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000954130844 1213042149 /nfs/dbraw/zinc/04/21/49/1213042149.db2.gz RKOYJVHKCXASIJ-HUUCEWRRSA-N 1 1 366.462 0.975 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC000961552328 1214224842 /nfs/dbraw/zinc/22/48/42/1214224842.db2.gz YCUDFBRLLHLWBM-LXTVHRRPSA-N 1 1 362.430 0.197 20 5 FCBDMO O=C(C[NH+]1CCCC1)N1CC[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2CC1 ZINC000967349412 1215232894 /nfs/dbraw/zinc/23/28/94/1215232894.db2.gz KZALCYBAWPXPFX-QKPAOTATSA-N 1 1 364.446 0.444 20 5 FCBDMO CCn1nnc(C)c1C[NH+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001050516950 1216328905 /nfs/dbraw/zinc/32/89/05/1216328905.db2.gz KOLXWYLCPDEOAX-ZIAGYGMSSA-N 1 1 362.434 0.696 20 5 FCBDMO O=C(NCc1cccc2c1CC[N@@H+](CCn1cncn1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001051289056 1216425880 /nfs/dbraw/zinc/42/58/80/1216425880.db2.gz CKLYVRMOMZNZPR-IAGOWNOFSA-N 1 1 370.413 0.618 20 5 FCBDMO O=C(NCc1cccc2c1CC[N@H+](CCn1cncn1)C2)[C@@H]1CC1[N+](=O)[O-] ZINC001051289056 1216425887 /nfs/dbraw/zinc/42/58/87/1216425887.db2.gz CKLYVRMOMZNZPR-IAGOWNOFSA-N 1 1 370.413 0.618 20 5 FCBDMO O=C(NCc1cccc2c1CC[N@@H+](CCn1cncn1)C2)[C@@H]1CC1[N+](=O)[O-] ZINC001051289056 1216425893 /nfs/dbraw/zinc/42/58/93/1216425893.db2.gz CKLYVRMOMZNZPR-IAGOWNOFSA-N 1 1 370.413 0.618 20 5 FCBDMO O=C(C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1)NC1CCCCC1 ZINC001048812681 1218317820 /nfs/dbraw/zinc/31/78/20/1218317820.db2.gz MNSJMVSTACPCKZ-OCVGTWLNSA-N 1 1 364.446 0.491 20 5 FCBDMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1)NC1CCCCC1 ZINC001048812681 1218317825 /nfs/dbraw/zinc/31/78/25/1218317825.db2.gz MNSJMVSTACPCKZ-OCVGTWLNSA-N 1 1 364.446 0.491 20 5 FCBDMO O=C(C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1)NC1CCCCC1 ZINC001048812681 1218317833 /nfs/dbraw/zinc/31/78/33/1218317833.db2.gz MNSJMVSTACPCKZ-OCVGTWLNSA-N 1 1 364.446 0.491 20 5 FCBDMO C[NH+](C)CCCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001053809460 1218892400 /nfs/dbraw/zinc/89/24/00/1218892400.db2.gz IFXWGZLWMZXQEQ-YIDVYQOGSA-N 1 1 366.462 0.879 20 5 FCBDMO CC(C)CN(C(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001227258135 1225868297 /nfs/dbraw/zinc/86/82/97/1225868297.db2.gz LIXVVMPPFYZCEQ-HZPDHXFCSA-N 1 1 366.462 0.879 20 5 FCBDMO CCC[N@@H+](C)CCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001070183814 1219276489 /nfs/dbraw/zinc/27/64/89/1219276489.db2.gz WMDMVJOCZHYWEA-ZIAGYGMSSA-N 1 1 370.450 0.165 20 5 FCBDMO CCC[N@H+](C)CCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070183814 1219276494 /nfs/dbraw/zinc/27/64/94/1219276494.db2.gz WMDMVJOCZHYWEA-ZIAGYGMSSA-N 1 1 370.450 0.165 20 5 FCBDMO CCC[N@@H+](C)CCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070183814 1219276496 /nfs/dbraw/zinc/27/64/96/1219276496.db2.gz WMDMVJOCZHYWEA-ZIAGYGMSSA-N 1 1 370.450 0.165 20 5 FCBDMO CC1(C)CC[N@@H+](CC(=O)NC2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001073015816 1219632834 /nfs/dbraw/zinc/63/28/34/1219632834.db2.gz VONOYFLPXBBKIQ-ZIAGYGMSSA-N 1 1 366.462 0.881 20 5 FCBDMO CC1(C)CC[N@H+](CC(=O)NC2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001073015816 1219632838 /nfs/dbraw/zinc/63/28/38/1219632838.db2.gz VONOYFLPXBBKIQ-ZIAGYGMSSA-N 1 1 366.462 0.881 20 5 FCBDMO CC1(C)CC[N@@H+](CC(=O)NC2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001073015816 1219632840 /nfs/dbraw/zinc/63/28/40/1219632840.db2.gz VONOYFLPXBBKIQ-ZIAGYGMSSA-N 1 1 366.462 0.881 20 5 FCBDMO COc1ccc(C(=O)NCC(=O)NCC[N@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000783920567 1221222688 /nfs/dbraw/zinc/22/26/88/1221222688.db2.gz MWYOTZVUHZPREF-GFCCVEGCSA-N 1 1 364.402 0.934 20 5 FCBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC001116977911 1221416102 /nfs/dbraw/zinc/41/61/02/1221416102.db2.gz XTMCYAZEDIIICH-UHFFFAOYSA-N 1 1 364.402 0.392 20 5 FCBDMO Cn1c(Cc2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001121414623 1222175781 /nfs/dbraw/zinc/17/57/81/1222175781.db2.gz DGRWFRLPROXUBH-OAHLLOKOSA-N 1 1 358.402 0.835 20 5 FCBDMO Cn1c(Cc2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001121414623 1222175786 /nfs/dbraw/zinc/17/57/86/1222175786.db2.gz DGRWFRLPROXUBH-OAHLLOKOSA-N 1 1 358.402 0.835 20 5 FCBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000838282301 1222676485 /nfs/dbraw/zinc/67/64/85/1222676485.db2.gz XBPCJHIHHODKMH-SWLSCSKDSA-N 1 1 365.386 0.724 20 5 FCBDMO O=c1cc(CNc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])nc2n1CCC[NH2+]C2 ZINC001155487660 1223036284 /nfs/dbraw/zinc/03/62/84/1223036284.db2.gz LIOYRDQFJJBPMT-UHFFFAOYSA-N 1 1 361.318 0.560 20 5 FCBDMO COc1nc(C)c([N+](=O)[O-])c(NCc2cc(=O)n3c(n2)C[NH2+]CCC3)n1 ZINC001155488978 1223036809 /nfs/dbraw/zinc/03/68/09/1223036809.db2.gz MZDGMZBQPRIODH-UHFFFAOYSA-N 1 1 361.362 0.364 20 5 FCBDMO C[NH+](C)/C=C/c1cc(NCCNC(=O)N2CCOCC2)ncc1[N+](=O)[O-] ZINC001157109805 1223068185 /nfs/dbraw/zinc/06/81/85/1223068185.db2.gz WWKLFOLSLBHMKZ-ZZXKWVIFSA-N 1 1 364.406 0.976 20 5 FCBDMO CN(Cc1cccc(F)c1)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775278 1223081955 /nfs/dbraw/zinc/08/19/55/1223081955.db2.gz NIYCLRCOWBYVHO-HUUCEWRRSA-N 1 1 366.393 0.545 20 5 FCBDMO Cc1cc(NCCN2CC[NH2+]CC2=O)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001161024809 1223183458 /nfs/dbraw/zinc/18/34/58/1223183458.db2.gz JQILCLXFQOIQHO-UHFFFAOYSA-N 1 1 356.386 0.626 20 5 FCBDMO O=C(NCCC1(C[NH2+]Cc2cn(CC3CC3)nn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164490593 1223239402 /nfs/dbraw/zinc/23/94/02/1223239402.db2.gz NPHZTRKCUFZULN-HUUCEWRRSA-N 1 1 362.434 0.729 20 5 FCBDMO O=C1C[NH2+]CCN1Cc1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000843236725 1245327618 /nfs/dbraw/zinc/32/76/18/1245327618.db2.gz GTBVZAMRFWTCDU-UHFFFAOYSA-N 1 1 370.329 0.157 20 5 FCBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000848791623 1245383203 /nfs/dbraw/zinc/38/32/03/1245383203.db2.gz VYOWFGNYFFDOAK-NSHDSACASA-N 1 1 365.390 0.741 20 5 FCBDMO CCn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)nn1 ZINC000946589203 1247906130 /nfs/dbraw/zinc/90/61/30/1247906130.db2.gz LWEWARLTTQXVHU-OCVGTWLNSA-N 1 1 362.434 0.634 20 5 FCBDMO CC(C)[NH+]1CCC(C(=O)NC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000946705854 1247963904 /nfs/dbraw/zinc/96/39/04/1247963904.db2.gz WGZKVHPVBYIVLC-HZPDHXFCSA-N 1 1 366.462 0.879 20 5 FCBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001327918612 1265453546 /nfs/dbraw/zinc/45/35/46/1265453546.db2.gz UCGDGQLDBBPGRM-GFCCVEGCSA-N 1 1 374.397 0.537 20 5 FCBDMO CC[NH+](CC)Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC000994886294 1250716731 /nfs/dbraw/zinc/71/67/31/1250716731.db2.gz FPFUSESEWSGFQJ-ZIAGYGMSSA-N 1 1 364.402 0.727 20 5 FCBDMO Cn1nc(C2CC2)nc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000997773161 1251700000 /nfs/dbraw/zinc/70/00/00/1251700000.db2.gz UVIMTTAWAZEHRI-ZIAGYGMSSA-N 1 1 362.434 0.686 20 5 FCBDMO CC1CCN(C(=O)C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001034644028 1253998663 /nfs/dbraw/zinc/99/86/63/1253998663.db2.gz YMOGMDMZDVVWNH-KLHDSHLOSA-N 1 1 366.462 0.927 20 5 FCBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001255094939 1259904392 /nfs/dbraw/zinc/90/43/92/1259904392.db2.gz AHZVUNGZKAXWIL-UHFFFAOYSA-N 1 1 365.434 0.289 20 5 FCBDMO Cn1c(C[N+](=O)[O-])nnc1N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001338205232 1260585786 /nfs/dbraw/zinc/58/57/86/1260585786.db2.gz FFVHSDURXAODPG-UHFFFAOYSA-N 1 1 373.461 0.846 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001318178476 1263548920 /nfs/dbraw/zinc/54/89/20/1263548920.db2.gz DUBCFXHFYUMDHQ-CYBMUJFWSA-N 1 1 364.406 0.040 20 5 FCBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001321440954 1263962800 /nfs/dbraw/zinc/96/28/00/1263962800.db2.gz XSXITLMGHZSUKR-CQSZACIVSA-N 1 1 364.406 0.122 20 5 FCBDMO C[C@@H](NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC001322646602 1264234669 /nfs/dbraw/zinc/23/46/69/1264234669.db2.gz QZGFAQVOUVVLJX-DOMZBBRYSA-N 1 1 364.402 0.089 20 5 FCBDMO C[C@@H](NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC001322646602 1264234676 /nfs/dbraw/zinc/23/46/76/1264234676.db2.gz QZGFAQVOUVVLJX-DOMZBBRYSA-N 1 1 364.402 0.089 20 5 FCBDMO C[C@@H](NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001323833129 1264524694 /nfs/dbraw/zinc/52/46/94/1264524694.db2.gz AJILRKPQWUNCKG-DOMZBBRYSA-N 1 1 364.402 0.089 20 5 FCBDMO C[C@@H](NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001323833129 1264524701 /nfs/dbraw/zinc/52/47/01/1264524701.db2.gz AJILRKPQWUNCKG-DOMZBBRYSA-N 1 1 364.402 0.089 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NCCn1cc[nH+]c1C ZINC001325605478 1264942396 /nfs/dbraw/zinc/94/23/96/1264942396.db2.gz FKTOKVWVIHRHLU-UHFFFAOYSA-N 1 1 361.358 0.541 20 5 FCBDMO C[C@](N)(C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001576080717 1272854643 /nfs/dbraw/zinc/85/46/43/1272854643.db2.gz GSRHJPTWQMTBHN-DOTOQJQBSA-N 1 1 350.419 0.732 20 5 FCBDMO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC001580874840 1279081034 /nfs/dbraw/zinc/08/10/34/1279081034.db2.gz LQDRWRWQGJCVFP-QMMMGPOBSA-N 1 1 353.759 0.654 20 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Nc1c([N+](=O)[O-])ccc(N2CCN(c3[nH]cc[nH+]3)CC2)c1-c1nn[nH]n1 ZINC001592757535 1285678772 /nfs/dbraw/zinc/67/87/72/1285678772.db2.gz LJVSBDRGOOKHTE-UHFFFAOYSA-N 1 1 356.350 0.407 20 5 FCBDMO O=C1N[C@@H]2C[N@@H+](Cc3c(-c4nn[nH]n4)cccc3[N+](=O)[O-])CC[C@H]2CO1 ZINC001593410232 1286133527 /nfs/dbraw/zinc/13/35/27/1286133527.db2.gz IPUFUSKHBYTYPA-JOYOIKCWSA-N 1 1 359.346 0.705 20 5 FCBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@H+]2C2CCOCC2)c(-c2nn[nH]n2)c1 ZINC001593484869 1286173800 /nfs/dbraw/zinc/17/38/00/1286173800.db2.gz KXWHYHQIYPNZMV-NSHDSACASA-N 1 1 360.378 0.835 20 5 FCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[NH2+]C[C@@H]1C(=O)[O-] ZINC001600304806 1286475381 /nfs/dbraw/zinc/47/53/81/1286475381.db2.gz MZVMGXHUOKNCFP-CQSZACIVSA-N 1 1 350.375 0.980 20 5 FCBDMO O=C([O-])[C@@H]1C[NH2+]CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC001601852977 1286853250 /nfs/dbraw/zinc/85/32/50/1286853250.db2.gz QVNYDBZKNBCYBH-ZDUSSCGKSA-N 1 1 364.358 0.641 20 5 FCBDMO O=C([O-])[C@@H]1C[NH2+]CCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC001601852977 1286853263 /nfs/dbraw/zinc/85/32/63/1286853263.db2.gz QVNYDBZKNBCYBH-ZDUSSCGKSA-N 1 1 364.358 0.641 20 5 FCBDMO CC1(C)CN(c2cc(N)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC[N@H+]1CCO ZINC001609147119 1288948538 /nfs/dbraw/zinc/94/85/38/1288948538.db2.gz LKXSWXUDBVUXOQ-UHFFFAOYSA-N 1 1 362.394 0.250 20 5 FCBDMO CC(C)(C)NC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001754959888 1290638772 /nfs/dbraw/zinc/63/87/72/1290638772.db2.gz OWWWVFVAYYJGRQ-CHWSQXEVSA-N 1 1 352.435 0.491 20 5 FCBDMO O=C(C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NCc1ccco1 ZINC001688931531 1294550379 /nfs/dbraw/zinc/55/03/79/1294550379.db2.gz HWMXETSTYADHSL-HBJVGIJOSA-N 1 1 350.375 0.045 20 5 FCBDMO CC(C)[N@@H+](C)CC(=O)N1CCC(C)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001689761694 1294837340 /nfs/dbraw/zinc/83/73/40/1294837340.db2.gz FSPYNULLWZHFRC-ZIAGYGMSSA-N 1 1 354.451 0.737 20 5 FCBDMO CC(C)[N@H+](C)CC(=O)N1CCC(C)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001689761694 1294837350 /nfs/dbraw/zinc/83/73/50/1294837350.db2.gz FSPYNULLWZHFRC-ZIAGYGMSSA-N 1 1 354.451 0.737 20 5 FCBDMO CC(C)[N@@H+](C)CC(=O)N1CCC(C)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001689761694 1294837356 /nfs/dbraw/zinc/83/73/56/1294837356.db2.gz FSPYNULLWZHFRC-ZIAGYGMSSA-N 1 1 354.451 0.737 20 5 FCBDMO Nc1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745270 720753198 /nfs/dbraw/zinc/75/31/98/720753198.db2.gz ULPKAYHEYNFNAZ-STQMWFEESA-N 1 1 357.374 0.704 20 5 FCBDMO C[N@@H+](CC(=O)NC1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CCC1 ZINC001073014090 837752545 /nfs/dbraw/zinc/75/25/45/837752545.db2.gz GUFIZMBBTINWGC-ZIAGYGMSSA-N 1 1 352.435 0.633 20 5 FCBDMO C[N@H+](CC(=O)NC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CCC1 ZINC001073014090 837752554 /nfs/dbraw/zinc/75/25/54/837752554.db2.gz GUFIZMBBTINWGC-ZIAGYGMSSA-N 1 1 352.435 0.633 20 5 FCBDMO C[N@@H+](CC(=O)NC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CCC1 ZINC001073014090 837752562 /nfs/dbraw/zinc/75/25/62/837752562.db2.gz GUFIZMBBTINWGC-ZIAGYGMSSA-N 1 1 352.435 0.633 20 5 FCBDMO CS(=O)(=O)c1ccc(C(=O)OCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000748492767 836310000 /nfs/dbraw/zinc/31/00/00/836310000.db2.gz WDMFMSLLIGEBGD-UHFFFAOYSA-N 1 1 372.399 0.877 20 5 FCBDMO CC[NH+](CC)CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001061006123 836678552 /nfs/dbraw/zinc/67/85/52/836678552.db2.gz QMZKGBSQUVGBKA-ZIAGYGMSSA-N 1 1 352.435 0.444 20 5 FCBDMO CC(C)(C[NH2+]CCOCCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001101540636 844209501 /nfs/dbraw/zinc/20/95/01/844209501.db2.gz MRXSWANABLJYLD-HUUCEWRRSA-N 1 1 357.451 0.515 20 5 FCBDMO CCNC(=O)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001101540330 844209844 /nfs/dbraw/zinc/20/98/44/844209844.db2.gz CJXPCKMGPRTCLR-ZIAGYGMSSA-N 1 1 354.451 0.642 20 5 FCBDMO Cc1cc(CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])n[nH]1 ZINC001117591708 847099225 /nfs/dbraw/zinc/09/92/25/847099225.db2.gz JVUDHHCDCTUKCD-UHFFFAOYSA-N 1 1 353.404 0.995 20 5 FCBDMO CC(C)N(CC(F)(F)F)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126938686 848715067 /nfs/dbraw/zinc/71/50/67/848715067.db2.gz GUYLAZLXTPRPQX-NXEZZACHSA-N 1 1 354.329 0.157 20 5 FCBDMO CC/C=C/CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001131353951 849096686 /nfs/dbraw/zinc/09/66/86/849096686.db2.gz JYVVMIZEDOJZIR-LRPXVYOUSA-N 1 1 352.435 0.658 20 5 FCBDMO CCCCCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001131354021 849096784 /nfs/dbraw/zinc/09/67/84/849096784.db2.gz MXVQYPOPDKWHGC-HUUCEWRRSA-N 1 1 354.451 0.882 20 5 FCBDMO C[N@@H+](CCO)CCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001155251425 849841854 /nfs/dbraw/zinc/84/18/54/849841854.db2.gz NJQONXOLGMVQSM-UHFFFAOYSA-N 1 1 358.782 0.018 20 5 FCBDMO CCOC(=O)c1nc(Cl)nc(-n2cnc(C[NH3+])cc2=N)c1[N+](=O)[O-] ZINC001156620982 849917465 /nfs/dbraw/zinc/91/74/65/849917465.db2.gz ROSIZZXOXBKAQR-UHFFFAOYSA-N 1 1 353.726 0.339 20 5 FCBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1nc2c(s1)CCC2 ZINC001157766972 849991450 /nfs/dbraw/zinc/99/14/50/849991450.db2.gz CMAUVTOWYOAMET-MWLCHTKSSA-N 1 1 367.431 0.331 20 5 FCBDMO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)c1cc(F)ccc1[N+](=O)[O-] ZINC001159849866 850141117 /nfs/dbraw/zinc/14/11/17/850141117.db2.gz GIEVLNBPCNLFGE-BLLLJJGKSA-N 1 1 353.350 0.689 20 5 FCBDMO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)c1cc(F)ccc1[N+](=O)[O-] ZINC001159849866 850141122 /nfs/dbraw/zinc/14/11/22/850141122.db2.gz GIEVLNBPCNLFGE-BLLLJJGKSA-N 1 1 353.350 0.689 20 5 FCBDMO O=C(NCCC1=CC[N@@H+](CCN2CCCC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160090756 850152919 /nfs/dbraw/zinc/15/29/19/850152919.db2.gz OCTFJVKBHJDDKC-HUUCEWRRSA-N 1 1 350.419 0.412 20 5 FCBDMO O=C(NCCC1=CC[N@H+](CCN2CCCC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001160090756 850152924 /nfs/dbraw/zinc/15/29/24/850152924.db2.gz OCTFJVKBHJDDKC-HUUCEWRRSA-N 1 1 350.419 0.412 20 5 FCBDMO O=C(NCCC1=CC[N@@H+](CCN2CCCC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001160090756 850152933 /nfs/dbraw/zinc/15/29/33/850152933.db2.gz OCTFJVKBHJDDKC-HUUCEWRRSA-N 1 1 350.419 0.412 20 5 FCBDMO C[NH+](C)/C=C/c1cc(NCCN2CCS(=O)(=O)CC2)ncc1[N+](=O)[O-] ZINC001160648266 850187813 /nfs/dbraw/zinc/18/78/13/850187813.db2.gz BEOKSXSWFKUKTM-HWKANZROSA-N 1 1 369.447 0.664 20 5 FCBDMO [NH3+][C@@H]1NCN(c2ccc3ccc4ccc(Cl)nc4c3n2)[C@@H]2NCN[C@H]21 ZINC001162440748 850316899 /nfs/dbraw/zinc/31/68/99/850316899.db2.gz UWMBGUOPRQQTBV-BBWFWOEESA-N 1 1 355.833 0.933 20 5 FCBDMO CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169023467 850602298 /nfs/dbraw/zinc/60/22/98/850602298.db2.gz ULVLAVQUZIMSCT-WBTNSWJXSA-N 1 1 355.435 0.818 20 5 FCBDMO O=C([C@H]1COC[C@H]2C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21)N1CCCO1 ZINC001169026626 850603265 /nfs/dbraw/zinc/60/32/65/850603265.db2.gz YDMZFWMDRJWSKD-LJIZCISZSA-N 1 1 353.419 0.790 20 5 FCBDMO NCC[N@H+](CCO)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173693063 850733080 /nfs/dbraw/zinc/73/30/80/850733080.db2.gz YILLTZFESODQSG-UHFFFAOYSA-N 1 1 372.447 0.001 20 5 FCBDMO NCC[N@@H+](CCO)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173693063 850733082 /nfs/dbraw/zinc/73/30/82/850733082.db2.gz YILLTZFESODQSG-UHFFFAOYSA-N 1 1 372.447 0.001 20 5 FCBDMO O=C(C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])NC1CCCC1 ZINC001178458369 850900662 /nfs/dbraw/zinc/90/06/62/850900662.db2.gz DFLZOFZXECVJOR-HUUCEWRRSA-N 1 1 354.451 0.977 20 5 FCBDMO CN(CC(F)(F)F)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001200473221 853499392 /nfs/dbraw/zinc/49/93/92/853499392.db2.gz YZURSUHXRXJSGW-GHMZBOCLSA-N 1 1 366.340 0.253 20 5 FCBDMO C[NH+]1CCN(CC2CN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C2)CC1 ZINC001344031222 870711534 /nfs/dbraw/zinc/71/15/34/870711534.db2.gz KPQRHJLZLUCGPJ-UHFFFAOYSA-N 1 1 351.382 0.636 20 5 FCBDMO O=C(NCC[NH+]1CCSCC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001344962942 871123571 /nfs/dbraw/zinc/12/35/71/871123571.db2.gz RFPDZZVHPNNBMO-UHFFFAOYSA-N 1 1 352.416 0.376 20 5 FCBDMO C[NH+]1CCN(CC2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC001330832702 872834665 /nfs/dbraw/zinc/83/46/65/872834665.db2.gz SUWWHLGBXKKHTD-UHFFFAOYSA-N 1 1 350.423 0.232 20 5 FCBDMO O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000293972890 214214960 /nfs/dbraw/zinc/21/49/60/214214960.db2.gz BRNXMCJWXGHZQB-OAHLLOKOSA-N 1 1 372.381 0.844 20 5 FCBDMO COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000295186876 214282501 /nfs/dbraw/zinc/28/25/01/214282501.db2.gz QOCMWASBNRQRJE-MRXNPFEDSA-N 1 1 351.359 0.705 20 5 FCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c(F)c1 ZINC000295282004 214290304 /nfs/dbraw/zinc/29/03/04/214290304.db2.gz MTUYARNZVKJGSF-NSHDSACASA-N 1 1 361.395 0.859 20 5 FCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)c(F)c1 ZINC000295282004 214290308 /nfs/dbraw/zinc/29/03/08/214290308.db2.gz MTUYARNZVKJGSF-NSHDSACASA-N 1 1 361.395 0.859 20 5 FCBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000295633322 214310401 /nfs/dbraw/zinc/31/04/01/214310401.db2.gz ZLJWUWVFSMWCCI-CQSZACIVSA-N 1 1 364.402 0.288 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000265729417 210208636 /nfs/dbraw/zinc/20/86/36/210208636.db2.gz WWLBKDPUOAQMFX-LBPRGKRZSA-N 1 1 364.402 0.926 20 5 FCBDMO C[C@@H](CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000265679679 210196014 /nfs/dbraw/zinc/19/60/14/210196014.db2.gz DRYDQTSPUKTAIX-ZDUSSCGKSA-N 1 1 365.386 0.871 20 5 FCBDMO CC[NH+]1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000265647183 210186475 /nfs/dbraw/zinc/18/64/75/210186475.db2.gz SONJVRVVEZFGNC-UHFFFAOYSA-N 1 1 370.431 0.379 20 5 FCBDMO CNC(=O)c1ccc(N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)c([N+](=O)[O-])c1 ZINC000413492737 529940591 /nfs/dbraw/zinc/94/05/91/529940591.db2.gz DDYICKYYOVKCPN-LBPRGKRZSA-N 1 1 350.375 0.495 20 5 FCBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000265378946 210113222 /nfs/dbraw/zinc/11/32/22/210113222.db2.gz QREZHWLSCCTJKP-UKRRQHHQSA-N 1 1 355.416 0.182 20 5 FCBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000265378947 210112675 /nfs/dbraw/zinc/11/26/75/210112675.db2.gz QREZHWLSCCTJKP-ZFWWWQNUSA-N 1 1 355.416 0.182 20 5 FCBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000265350299 210104438 /nfs/dbraw/zinc/10/44/38/210104438.db2.gz XFCSUUOURMVJOO-GFCCVEGCSA-N 1 1 374.397 0.991 20 5 FCBDMO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000265073373 210049194 /nfs/dbraw/zinc/04/91/94/210049194.db2.gz XEIMLXQQNWSCID-JTQLQIEISA-N 1 1 356.404 0.194 20 5 FCBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000265073373 210049197 /nfs/dbraw/zinc/04/91/97/210049197.db2.gz XEIMLXQQNWSCID-JTQLQIEISA-N 1 1 356.404 0.194 20 5 FCBDMO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cc([N+](=O)[O-])n[nH]1 ZINC000285707914 213381528 /nfs/dbraw/zinc/38/15/28/213381528.db2.gz IFSWLDOVKRLVEB-KBPBESRZSA-N 1 1 359.386 0.931 20 5 FCBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)NCCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000360876189 215372508 /nfs/dbraw/zinc/37/25/08/215372508.db2.gz YUNAZFFUEHSTEI-CYBMUJFWSA-N 1 1 365.438 0.259 20 5 FCBDMO C[NH+]1CCC(N2CC[C@@H](NC(=O)NCCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000360876189 215372511 /nfs/dbraw/zinc/37/25/11/215372511.db2.gz YUNAZFFUEHSTEI-CYBMUJFWSA-N 1 1 365.438 0.259 20 5 FCBDMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285404474 213336957 /nfs/dbraw/zinc/33/69/57/213336957.db2.gz KBNPWLVPPCNDHQ-UHFFFAOYSA-N 1 1 360.378 0.050 20 5 FCBDMO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000362932101 215456190 /nfs/dbraw/zinc/45/61/90/215456190.db2.gz NNVRWGAHTHYCTI-KGLIPLIRSA-N 1 1 362.386 0.821 20 5 FCBDMO O=C1CC[C@@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]2N1C1CC1 ZINC000246285319 209383636 /nfs/dbraw/zinc/38/36/36/209383636.db2.gz NYVJHROPGDIRDF-KCXAZCMYSA-N 1 1 363.418 0.628 20 5 FCBDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000195038330 209331036 /nfs/dbraw/zinc/33/10/36/209331036.db2.gz TYMAYIQJDYWOLO-BETUJISGSA-N 1 1 354.411 0.542 20 5 FCBDMO C[C@@H]1C[N@H+](CCN(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000195038330 209331040 /nfs/dbraw/zinc/33/10/40/209331040.db2.gz TYMAYIQJDYWOLO-BETUJISGSA-N 1 1 354.411 0.542 20 5 FCBDMO C[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@H+]1CC(C)(C)O ZINC000189430724 209252443 /nfs/dbraw/zinc/25/24/43/209252443.db2.gz WHYFTCFSOGHYHH-GFCCVEGCSA-N 1 1 354.411 0.278 20 5 FCBDMO COC(=O)c1cnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000276788824 212289427 /nfs/dbraw/zinc/28/94/27/212289427.db2.gz PIMJGMOSMGQXOF-LBPRGKRZSA-N 1 1 350.375 0.935 20 5 FCBDMO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000186799098 209199461 /nfs/dbraw/zinc/19/94/61/209199461.db2.gz YUBNEXQGRNAIPQ-CYBMUJFWSA-N 1 1 359.386 0.919 20 5 FCBDMO CCOc1ccc(NC(=O)C[N@H+](C[C@H](C)O)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000276208027 212186402 /nfs/dbraw/zinc/18/64/02/212186402.db2.gz ORBCDFHOAZYZSY-RYUDHWBXSA-N 1 1 355.391 0.996 20 5 FCBDMO CCOc1ccc(NC(=O)C[N@@H+](C[C@H](C)O)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000276208027 212186404 /nfs/dbraw/zinc/18/64/04/212186404.db2.gz ORBCDFHOAZYZSY-RYUDHWBXSA-N 1 1 355.391 0.996 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000276134399 212169901 /nfs/dbraw/zinc/16/99/01/212169901.db2.gz BAWGUGMWZNNYCE-NEPJUHHUSA-N 1 1 355.391 0.996 20 5 FCBDMO COc1ccc(NC(=O)CN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000275341168 212010297 /nfs/dbraw/zinc/01/02/97/212010297.db2.gz XSIOUAKWMQYMTO-OLZOCXBDSA-N 1 1 366.418 0.929 20 5 FCBDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000374422721 217127893 /nfs/dbraw/zinc/12/78/93/217127893.db2.gz SMHCBEZGXLEROP-DTZQCDIJSA-N 1 1 353.423 0.336 20 5 FCBDMO C[C@@H](CO)[N@H+]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000375500309 217274091 /nfs/dbraw/zinc/27/40/91/217274091.db2.gz XPQPULHYMVMNDQ-HOCLYGCPSA-N 1 1 353.419 0.723 20 5 FCBDMO C[C@@H](CO)N1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000375500309 217274096 /nfs/dbraw/zinc/27/40/96/217274096.db2.gz XPQPULHYMVMNDQ-HOCLYGCPSA-N 1 1 353.419 0.723 20 5 FCBDMO C[C@@H](CO)N1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000375500309 217274100 /nfs/dbraw/zinc/27/41/00/217274100.db2.gz XPQPULHYMVMNDQ-HOCLYGCPSA-N 1 1 353.419 0.723 20 5 FCBDMO C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H](C)[NH2+]1 ZINC000440452307 248185875 /nfs/dbraw/zinc/18/58/75/248185875.db2.gz YJILNAPMBKBVII-AOOOYVTPSA-N 1 1 357.388 0.737 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443788565 248339863 /nfs/dbraw/zinc/33/98/63/248339863.db2.gz ZFIUSHHOEGKJDW-CQSZACIVSA-N 1 1 370.431 0.354 20 5 FCBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443788565 248339865 /nfs/dbraw/zinc/33/98/65/248339865.db2.gz ZFIUSHHOEGKJDW-CQSZACIVSA-N 1 1 370.431 0.354 20 5 FCBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452346527 249309859 /nfs/dbraw/zinc/30/98/59/249309859.db2.gz GTRJCWAVWWBQFR-OAHLLOKOSA-N 1 1 364.402 0.288 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(c3cncc(F)c3)CC2)c1 ZINC000270873065 211288494 /nfs/dbraw/zinc/28/84/94/211288494.db2.gz JLRHKCDXQKLZNA-HNNXBMFYSA-N 1 1 350.354 0.509 20 5 FCBDMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000270560833 211223305 /nfs/dbraw/zinc/22/33/05/211223305.db2.gz KIDQCPGJFGFSBN-GFCCVEGCSA-N 1 1 358.420 0.018 20 5 FCBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000481784902 250359577 /nfs/dbraw/zinc/35/95/77/250359577.db2.gz IPGKAJOMJDTFKL-CABCVRRESA-N 1 1 373.413 0.941 20 5 FCBDMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269594695 211019358 /nfs/dbraw/zinc/01/93/58/211019358.db2.gz UESABAGQJLLUNJ-UHFFFAOYSA-N 1 1 351.388 0.839 20 5 FCBDMO Cc1nn(C)c(C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000269572635 211011752 /nfs/dbraw/zinc/01/17/52/211011752.db2.gz UKVHDOOVASMEDV-OAHLLOKOSA-N 1 1 373.413 0.786 20 5 FCBDMO COC(=O)[C@H]1CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)C1 ZINC000411921797 533009878 /nfs/dbraw/zinc/00/98/78/533009878.db2.gz SLXMFTJERHTCAO-CHWSQXEVSA-N 1 1 364.402 0.958 20 5 FCBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000068606541 208026653 /nfs/dbraw/zinc/02/66/53/208026653.db2.gz LPOUOQAVCROTLF-UHFFFAOYSA-N 1 1 366.422 0.195 20 5 FCBDMO Cc1nsc(N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000081576690 208103148 /nfs/dbraw/zinc/10/31/48/208103148.db2.gz CUKCCDFPRWMNJK-GFCCVEGCSA-N 1 1 353.408 0.134 20 5 FCBDMO C[C@H](C[NH+]1CCN(C)CC1)Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000106483366 208227702 /nfs/dbraw/zinc/22/77/02/208227702.db2.gz ZGEROUUAFXPBBE-LLVKDONJSA-N 1 1 357.436 0.290 20 5 FCBDMO CCCc1[nH]nc(C(=O)N2CCCN(CC(=O)NCC)CC2)c1[N+](=O)[O-] ZINC000109620623 208257367 /nfs/dbraw/zinc/25/73/67/208257367.db2.gz RCLAPUIPOBALIC-UHFFFAOYSA-N 1 1 366.422 0.554 20 5 FCBDMO O=C(NCCC[NH+]1CCOCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109983397 208266774 /nfs/dbraw/zinc/26/67/74/208266774.db2.gz XJLAUMHKSGIWMR-UHFFFAOYSA-N 1 1 360.370 0.888 20 5 FCBDMO Cc1nn(C)c(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000112197941 208290321 /nfs/dbraw/zinc/29/03/21/208290321.db2.gz DKJDWUKINFGRFX-CYBMUJFWSA-N 1 1 351.407 0.821 20 5 FCBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000112921522 208304733 /nfs/dbraw/zinc/30/47/33/208304733.db2.gz XNRVARYKXMWXGU-UHFFFAOYSA-N 1 1 352.439 0.666 20 5 FCBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000112921522 208304740 /nfs/dbraw/zinc/30/47/40/208304740.db2.gz XNRVARYKXMWXGU-UHFFFAOYSA-N 1 1 352.439 0.666 20 5 FCBDMO O=C(C[N@@H+]1CCC[C@H](CO)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000120083453 208372690 /nfs/dbraw/zinc/37/26/90/208372690.db2.gz BXGXHLXFFWACRK-HNNXBMFYSA-N 1 1 362.430 0.948 20 5 FCBDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266560170 210356929 /nfs/dbraw/zinc/35/69/29/210356929.db2.gz XGEDVJWUKJIPGN-NFAWXSAZSA-N 1 1 369.422 0.015 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(CC(F)(F)C(F)F)CC2)c1 ZINC000173750991 229211706 /nfs/dbraw/zinc/21/17/06/229211706.db2.gz NSCBQRZXUHTRBD-NSHDSACASA-N 1 1 369.319 0.670 20 5 FCBDMO CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000363649615 488869177 /nfs/dbraw/zinc/86/91/77/488869177.db2.gz BCRRJIUDMABYLC-QWHCGFSZSA-N 1 1 373.431 0.348 20 5 FCBDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000363649615 488869179 /nfs/dbraw/zinc/86/91/79/488869179.db2.gz BCRRJIUDMABYLC-QWHCGFSZSA-N 1 1 373.431 0.348 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363695240 488874892 /nfs/dbraw/zinc/87/48/92/488874892.db2.gz TWQIAOLMWSATJW-CHWSQXEVSA-N 1 1 371.415 0.745 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363695240 488874895 /nfs/dbraw/zinc/87/48/95/488874895.db2.gz TWQIAOLMWSATJW-CHWSQXEVSA-N 1 1 371.415 0.745 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363695243 488875042 /nfs/dbraw/zinc/87/50/42/488875042.db2.gz TWQIAOLMWSATJW-STQMWFEESA-N 1 1 371.415 0.745 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363695243 488875044 /nfs/dbraw/zinc/87/50/44/488875044.db2.gz TWQIAOLMWSATJW-STQMWFEESA-N 1 1 371.415 0.745 20 5 FCBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000363689682 488873984 /nfs/dbraw/zinc/87/39/84/488873984.db2.gz GWLLCSURETYMLG-LSDHHAIUSA-N 1 1 355.416 0.877 20 5 FCBDMO Cc1c(CO)cc([N+](=O)[O-])c(N2CC[NH+](C[C@H](C)O)CC2)c1[N+](=O)[O-] ZINC000302364942 488888591 /nfs/dbraw/zinc/88/85/91/488888591.db2.gz DIBQNQRXTPXSSG-JTQLQIEISA-N 1 1 354.363 0.807 20 5 FCBDMO CN1CC[NH+](CCCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000302721387 488891087 /nfs/dbraw/zinc/89/10/87/488891087.db2.gz ZLRMZDAMKFAXKR-UHFFFAOYSA-N 1 1 363.418 0.078 20 5 FCBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000278740457 488892935 /nfs/dbraw/zinc/89/29/35/488892935.db2.gz RSOWDGQMTJGPNK-CYBMUJFWSA-N 1 1 366.422 0.686 20 5 FCBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000025235618 487661825 /nfs/dbraw/zinc/66/18/25/487661825.db2.gz HZKBSJWZHGGWNM-UHFFFAOYSA-N 1 1 360.374 0.411 20 5 FCBDMO O=C(Cn1cnc([N+](=O)[O-])c1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000026123696 487677303 /nfs/dbraw/zinc/67/73/03/487677303.db2.gz KSRPHNWLZOUAKJ-UHFFFAOYSA-N 1 1 351.407 0.943 20 5 FCBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000047975132 488052757 /nfs/dbraw/zinc/05/27/57/488052757.db2.gz OSGBVNYAEYLMQI-MRXNPFEDSA-N 1 1 360.414 0.902 20 5 FCBDMO CS(=O)(=O)N[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000052670863 488176599 /nfs/dbraw/zinc/17/65/99/488176599.db2.gz SEMYBDVQWXUPLV-JSGCOSHPSA-N 1 1 373.431 0.348 20 5 FCBDMO CS(=O)(=O)N[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000052670863 488176604 /nfs/dbraw/zinc/17/66/04/488176604.db2.gz SEMYBDVQWXUPLV-JSGCOSHPSA-N 1 1 373.431 0.348 20 5 FCBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000055246252 488239355 /nfs/dbraw/zinc/23/93/55/488239355.db2.gz GUZASYVXCWGFCO-UHFFFAOYSA-N 1 1 370.431 0.346 20 5 FCBDMO COC(=O)c1cc(C(=O)NCCC[NH+]2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000061211520 488294401 /nfs/dbraw/zinc/29/44/01/488294401.db2.gz ZWGRDFIRCGMKRB-UHFFFAOYSA-N 1 1 364.402 0.749 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(Cc3cscn3)CC2)c1 ZINC000075680855 488398612 /nfs/dbraw/zinc/39/86/12/488398612.db2.gz YTQFFBFCBODHGH-CQSZACIVSA-N 1 1 352.420 0.427 20 5 FCBDMO O=c1[nH]cnc2cc(N3CC[C@H](C[NH+]4CCOCC4)C3)c([N+](=O)[O-])cc12 ZINC000078403920 488422118 /nfs/dbraw/zinc/42/21/18/488422118.db2.gz MAIBBIQFVGIABH-GFCCVEGCSA-N 1 1 359.386 0.990 20 5 FCBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247493065 488486405 /nfs/dbraw/zinc/48/64/05/488486405.db2.gz LCZJDDGYYZCAFT-UKRRQHHQSA-N 1 1 353.423 0.781 20 5 FCBDMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247511531 488487031 /nfs/dbraw/zinc/48/70/31/488487031.db2.gz MNSJLAQZXSUTFB-UKRRQHHQSA-N 1 1 351.407 0.390 20 5 FCBDMO C[C@H](O)C[N@H+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000248822567 488503061 /nfs/dbraw/zinc/50/30/61/488503061.db2.gz FNAVJIKCRNIMRU-KGLIPLIRSA-N 1 1 362.430 0.871 20 5 FCBDMO Cc1nn(CCC(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)c(C)c1[N+](=O)[O-] ZINC000261734702 488533759 /nfs/dbraw/zinc/53/37/59/488533759.db2.gz NGDUZOHMZDZVAY-CYBMUJFWSA-N 1 1 361.406 0.705 20 5 FCBDMO NS(=O)(=O)c1cccc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000272337241 488573979 /nfs/dbraw/zinc/57/39/79/488573979.db2.gz BEXCMRMQNINORR-LBPRGKRZSA-N 1 1 370.431 0.401 20 5 FCBDMO CC[N@@H+](CCNC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000263747943 488624198 /nfs/dbraw/zinc/62/41/98/488624198.db2.gz PKPIZJGWUCJFKG-UHFFFAOYSA-N 1 1 364.402 0.934 20 5 FCBDMO COCCC[N@@H+](C)CCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000273115087 488632656 /nfs/dbraw/zinc/63/26/56/488632656.db2.gz XEOANNXBJQNDKF-UHFFFAOYSA-N 1 1 366.418 0.718 20 5 FCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000129938343 488634897 /nfs/dbraw/zinc/63/48/97/488634897.db2.gz DRLYTSHNGVAMJD-ZIAGYGMSSA-N 1 1 359.386 0.694 20 5 FCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCS(=O)(=O)C2)cc1 ZINC000273452076 488651960 /nfs/dbraw/zinc/65/19/60/488651960.db2.gz OVPPTMFSRUMEND-NSHDSACASA-N 1 1 362.429 0.535 20 5 FCBDMO C[C@@H](Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000264185404 488653305 /nfs/dbraw/zinc/65/33/05/488653305.db2.gz BODBUHFGOSUNSZ-GHMZBOCLSA-N 1 1 358.420 0.763 20 5 FCBDMO CN(C)CC[NH+]1CCC(NC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000132435123 488653709 /nfs/dbraw/zinc/65/37/09/488653709.db2.gz ZHBAEKWWPPHPDM-UHFFFAOYSA-N 1 1 353.427 0.117 20 5 FCBDMO CCOCC[NH+]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000273530307 488657048 /nfs/dbraw/zinc/65/70/48/488657048.db2.gz YXHNZBOETFEDGT-UHFFFAOYSA-N 1 1 358.420 0.401 20 5 FCBDMO C[NH+](C)CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000136492212 488678190 /nfs/dbraw/zinc/67/81/90/488678190.db2.gz BMGCENZFLYYPAL-HNNXBMFYSA-N 1 1 369.443 0.715 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](CO)c1cnn(C)c1 ZINC000273997112 488678258 /nfs/dbraw/zinc/67/82/58/488678258.db2.gz KGLZNAQORVKTCZ-IINYFYTJSA-N 1 1 363.374 0.987 20 5 FCBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000146931937 488694851 /nfs/dbraw/zinc/69/48/51/488694851.db2.gz CWXZWKHXGOYFBA-UHFFFAOYSA-N 1 1 350.375 0.544 20 5 FCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000264691719 488699121 /nfs/dbraw/zinc/69/91/21/488699121.db2.gz MIJZZHYOBOIGAC-INIZCTEOSA-N 1 1 358.402 0.756 20 5 FCBDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000151702978 488709062 /nfs/dbraw/zinc/70/90/62/488709062.db2.gz YAENOGZDEHMSQD-STQMWFEESA-N 1 1 368.438 0.978 20 5 FCBDMO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)CCn1cc([N+](=O)[O-])ccc1=O ZINC000152621877 488720637 /nfs/dbraw/zinc/72/06/37/488720637.db2.gz YNSLJRAJLJHMJV-UHFFFAOYSA-N 1 1 370.365 0.985 20 5 FCBDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000266877435 488739627 /nfs/dbraw/zinc/73/96/27/488739627.db2.gz BMZDYLKVUSUZEF-GFCCVEGCSA-N 1 1 353.379 0.277 20 5 FCBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000154290398 488740863 /nfs/dbraw/zinc/74/08/63/488740863.db2.gz YCMFNFLNRJOBAS-JKSUJKDBSA-N 1 1 373.413 0.791 20 5 FCBDMO CCOC(=O)C1CCN(C(=O)C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000266896723 488741637 /nfs/dbraw/zinc/74/16/37/488741637.db2.gz GXIMXVYWUVWAFH-UHFFFAOYSA-N 1 1 367.406 0.525 20 5 FCBDMO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000266896723 488741638 /nfs/dbraw/zinc/74/16/38/488741638.db2.gz GXIMXVYWUVWAFH-UHFFFAOYSA-N 1 1 367.406 0.525 20 5 FCBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(S(C)(=O)=O)CC1 ZINC000154451978 488743655 /nfs/dbraw/zinc/74/36/55/488743655.db2.gz BGLQWLMXIPEMKX-OAHLLOKOSA-N 1 1 357.432 0.984 20 5 FCBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000160248453 488790456 /nfs/dbraw/zinc/79/04/56/488790456.db2.gz WDDMFHSSQIMSGR-UHFFFAOYSA-N 1 1 366.418 0.573 20 5 FCBDMO CNC(=O)N1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000267827600 488823080 /nfs/dbraw/zinc/82/30/80/488823080.db2.gz IRRIVYGTHWWNJR-UHFFFAOYSA-N 1 1 365.390 0.889 20 5 FCBDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000171703716 488825780 /nfs/dbraw/zinc/82/57/80/488825780.db2.gz FRZFUXBVFWWQLQ-CQSZACIVSA-N 1 1 364.450 0.942 20 5 FCBDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000171703712 488825947 /nfs/dbraw/zinc/82/59/47/488825947.db2.gz FRZFUXBVFWWQLQ-AWEZNQCLSA-N 1 1 364.450 0.942 20 5 FCBDMO CCc1ccc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000176487584 488858339 /nfs/dbraw/zinc/85/83/39/488858339.db2.gz JXMCPMZWOJKUGY-QGZVFWFLSA-N 1 1 351.403 0.970 20 5 FCBDMO CC[N@H+]1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H](C)C1 ZINC000288590952 488995028 /nfs/dbraw/zinc/99/50/28/488995028.db2.gz VTYOBCKWBASDCE-LLVKDONJSA-N 1 1 360.370 0.743 20 5 FCBDMO CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000280504954 489014307 /nfs/dbraw/zinc/01/43/07/489014307.db2.gz BMLIJKWTOVAXCN-INIZCTEOSA-N 1 1 364.358 0.720 20 5 FCBDMO CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000280504954 489014312 /nfs/dbraw/zinc/01/43/12/489014312.db2.gz BMLIJKWTOVAXCN-INIZCTEOSA-N 1 1 364.358 0.720 20 5 FCBDMO Cn1cc(S(=O)(=O)NCC[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000554846388 491228478 /nfs/dbraw/zinc/22/84/78/491228478.db2.gz UZZUKDILXADNQA-UHFFFAOYSA-N 1 1 367.431 0.781 20 5 FCBDMO Cn1cc(S(=O)(=O)NCC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000554846388 491228482 /nfs/dbraw/zinc/22/84/82/491228482.db2.gz UZZUKDILXADNQA-UHFFFAOYSA-N 1 1 367.431 0.781 20 5 FCBDMO CC[N@@H+](CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000280718438 489026749 /nfs/dbraw/zinc/02/67/49/489026749.db2.gz HCCJSZUUCPVBSE-UHFFFAOYSA-N 1 1 370.431 0.474 20 5 FCBDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000281501740 489080574 /nfs/dbraw/zinc/08/05/74/489080574.db2.gz UJNCLHOBSBPOGK-HOCLYGCPSA-N 1 1 370.406 0.444 20 5 FCBDMO NS(=O)(=O)c1ccc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000365588886 489090929 /nfs/dbraw/zinc/09/09/29/489090929.db2.gz NDQLPONVOAAXCJ-QWRGUYRKSA-N 1 1 356.404 0.517 20 5 FCBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@@H](C)C1 ZINC000281742263 489102233 /nfs/dbraw/zinc/10/22/33/489102233.db2.gz YOWIVIDYCPDYCN-QWRGUYRKSA-N 1 1 351.359 0.851 20 5 FCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@@H](C)C1 ZINC000281742263 489102235 /nfs/dbraw/zinc/10/22/35/489102235.db2.gz YOWIVIDYCPDYCN-QWRGUYRKSA-N 1 1 351.359 0.851 20 5 FCBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000330679442 489131951 /nfs/dbraw/zinc/13/19/51/489131951.db2.gz XQQWSBGKKYOTLH-GFCCVEGCSA-N 1 1 370.431 0.426 20 5 FCBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000330679442 489131954 /nfs/dbraw/zinc/13/19/54/489131954.db2.gz XQQWSBGKKYOTLH-GFCCVEGCSA-N 1 1 370.431 0.426 20 5 FCBDMO COc1cc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000366033395 489137566 /nfs/dbraw/zinc/13/75/66/489137566.db2.gz QPQHPXAXVCTUDE-VXGBXAGGSA-N 1 1 371.415 0.745 20 5 FCBDMO COc1cc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000366033395 489137568 /nfs/dbraw/zinc/13/75/68/489137568.db2.gz QPQHPXAXVCTUDE-VXGBXAGGSA-N 1 1 371.415 0.745 20 5 FCBDMO CCN1CC[NH+](C[C@H](C)CNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290603724 489152738 /nfs/dbraw/zinc/15/27/38/489152738.db2.gz ZGWXXLGNAVTIPY-GFCCVEGCSA-N 1 1 350.423 0.774 20 5 FCBDMO Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000297719231 489229492 /nfs/dbraw/zinc/22/94/92/489229492.db2.gz BUPKSYHFPALSGK-UHFFFAOYSA-N 1 1 350.375 0.680 20 5 FCBDMO O=C1CCCN1C[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000369826300 489279667 /nfs/dbraw/zinc/27/96/67/489279667.db2.gz 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CC[N@@H+](C)CCC(=O)N1CCC(CC)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001069617184 837533410 /nfs/dbraw/zinc/53/34/10/837533410.db2.gz PLYUDQALHWNTAP-ZIAGYGMSSA-N 1 1 354.451 0.881 20 5 FCBDMO C[NH+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC001074330821 837794251 /nfs/dbraw/zinc/79/42/51/837794251.db2.gz SFSPQACFJJUJJS-LXTVHRRPSA-N 1 1 352.435 0.300 20 5 FCBDMO CC(C)N(C)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001115530591 846561189 /nfs/dbraw/zinc/56/11/89/846561189.db2.gz GLMLHJWXAWNTIO-ZIAGYGMSSA-N 1 1 354.451 0.927 20 5 FCBDMO NC(=O)COC1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC001116445700 846682183 /nfs/dbraw/zinc/68/21/83/846682183.db2.gz RYBNCZPXLCOOLC-UHFFFAOYSA-N 1 1 351.359 0.832 20 5 FCBDMO O=C(NCC[NH2+]CCCS(=O)(=O)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936679 848713824 /nfs/dbraw/zinc/71/38/24/848713824.db2.gz QIYJBTBYAUFELQ-ZIAGYGMSSA-N 1 1 355.416 0.221 20 5 FCBDMO CC(C)N(CC(F)(F)F)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157774852 849992878 /nfs/dbraw/zinc/99/28/78/849992878.db2.gz DEUQXTJSNWUMKY-GHMZBOCLSA-N 1 1 368.356 0.547 20 5 FCBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCCc1cccs1 ZINC001157775811 849994334 /nfs/dbraw/zinc/99/43/34/849994334.db2.gz YFKHCMLOTHGHLK-CHWSQXEVSA-N 1 1 354.432 0.168 20 5 FCBDMO CCOCCC[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])(COC)CC1 ZINC001162271001 850305679 /nfs/dbraw/zinc/30/56/79/850305679.db2.gz WLWLVAOYVPGSMQ-HUUCEWRRSA-N 1 1 357.451 0.923 20 5 FCBDMO O=C(C[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)Nc1nccs1 ZINC001164490644 850413629 /nfs/dbraw/zinc/41/36/29/850413629.db2.gz OXPOCIDDLYBVKQ-GHMZBOCLSA-N 1 1 367.431 0.623 20 5 FCBDMO CCC(CC)NC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164494300 850413859 /nfs/dbraw/zinc/41/38/59/850413859.db2.gz DTERVWYUTMUXFU-ZIAGYGMSSA-N 1 1 354.451 0.833 20 5 FCBDMO CC(=O)N(C)Cc1nnc2n1CCC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169023614 850603498 /nfs/dbraw/zinc/60/34/98/850603498.db2.gz PDYLUYMXLXMNAJ-UONOGXRCSA-N 1 1 350.423 0.908 20 5 FCBDMO CC(=O)N(C)Cc1nnc2n1CCC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169023614 850603503 /nfs/dbraw/zinc/60/35/03/850603503.db2.gz PDYLUYMXLXMNAJ-UONOGXRCSA-N 1 1 350.423 0.908 20 5 FCBDMO CN(C)c1noc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001178458646 850900696 /nfs/dbraw/zinc/90/06/96/850900696.db2.gz PVGCPBOOIARROP-VXGBXAGGSA-N 1 1 354.411 0.567 20 5 FCBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(N[C@@H]2CC23C[NH2+]C3)CC1 ZINC001246452217 857580326 /nfs/dbraw/zinc/58/03/26/857580326.db2.gz QOCAPSQTMJDUAW-OAHLLOKOSA-N 1 1 366.443 0.699 20 5 FCBDMO CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@@H]1CC[N@H+]1C ZINC001303899609 866480602 /nfs/dbraw/zinc/48/06/02/866480602.db2.gz PISWEYQCDPLQTB-QWRGUYRKSA-N 1 1 370.431 0.860 20 5 FCBDMO NC(=O)[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C[C@H]1C(N)=O ZINC001307930354 866684011 /nfs/dbraw/zinc/68/40/11/866684011.db2.gz SBVUMUFKOKZGOP-DTORHVGOSA-N 1 1 371.191 0.376 20 5 FCBDMO NC(=O)[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C[C@H]1C(N)=O ZINC001307930354 866684015 /nfs/dbraw/zinc/68/40/15/866684015.db2.gz SBVUMUFKOKZGOP-DTORHVGOSA-N 1 1 371.191 0.376 20 5 FCBDMO NC(=O)[C@H]1C[NH+](Cc2cccc([N+](=O)[O-])c2Br)C[C@@H]1C(N)=O ZINC001307930355 866684216 /nfs/dbraw/zinc/68/42/16/866684216.db2.gz SBVUMUFKOKZGOP-IUCAKERBSA-N 1 1 371.191 0.376 20 5 FCBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001321060269 868355513 /nfs/dbraw/zinc/35/55/13/868355513.db2.gz IYTDHAAAEQEJOE-XJKSGUPXSA-N 1 1 353.423 0.337 20 5 FCBDMO C[C@H](NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC001321513106 868499939 /nfs/dbraw/zinc/49/99/39/868499939.db2.gz RXWGSFNXFDQNLS-SMDDNHRTSA-N 1 1 350.375 0.046 20 5 FCBDMO C[C@H](NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC001321513106 868499943 /nfs/dbraw/zinc/49/99/43/868499943.db2.gz RXWGSFNXFDQNLS-SMDDNHRTSA-N 1 1 350.375 0.046 20 5 FCBDMO CC(C)([NH2+]CC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC001324152803 869488395 /nfs/dbraw/zinc/48/83/95/869488395.db2.gz AAKPRHYFNVNXHJ-NSHDSACASA-N 1 1 355.416 0.723 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c1 ZINC001325844315 870057123 /nfs/dbraw/zinc/05/71/23/870057123.db2.gz QCPPOKFXZBRODZ-CJNGLKHVSA-N 1 1 353.423 0.243 20 5 FCBDMO CCOCC[NH+]1CCN(c2nnc(-c3n[nH]cc3[N+](=O)[O-])n2C)CC1 ZINC001346059038 871624322 /nfs/dbraw/zinc/62/43/22/871624322.db2.gz AHSVSNZIJAUZKT-UHFFFAOYSA-N 1 1 350.383 0.272 20 5 FCBDMO O=C1NCCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1Cc1ccccc1 ZINC000292859887 214128993 /nfs/dbraw/zinc/12/89/93/214128993.db2.gz CINFBAKZOLEDFO-IRXDYDNUSA-N 1 1 373.413 0.585 20 5 FCBDMO O=C1NCCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1Cc1ccccc1 ZINC000292859887 214128995 /nfs/dbraw/zinc/12/89/95/214128995.db2.gz CINFBAKZOLEDFO-IRXDYDNUSA-N 1 1 373.413 0.585 20 5 FCBDMO C[N@@H+](C[C@@H](O)CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000293322446 214165070 /nfs/dbraw/zinc/16/50/70/214165070.db2.gz XOLUKMZEYRVTCC-OAHLLOKOSA-N 1 1 362.430 0.808 20 5 FCBDMO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000265459006 210140246 /nfs/dbraw/zinc/14/02/46/210140246.db2.gz DYKGAZKLKYOAJE-HNNXBMFYSA-N 1 1 369.418 0.928 20 5 FCBDMO CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000265459006 210140258 /nfs/dbraw/zinc/14/02/58/210140258.db2.gz DYKGAZKLKYOAJE-HNNXBMFYSA-N 1 1 369.418 0.928 20 5 FCBDMO CC[N@@H+](CCNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)C1CC1 ZINC000265429181 210133686 /nfs/dbraw/zinc/13/36/86/210133686.db2.gz URPXMAUCVNFWPN-UHFFFAOYSA-N 1 1 370.431 0.765 20 5 FCBDMO Cc1c(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000265335130 210098786 /nfs/dbraw/zinc/09/87/86/210098786.db2.gz HISJSNOOZUIEDF-GDBMZVCRSA-N 1 1 369.443 0.491 20 5 FCBDMO C[NH+](C)CCN1CCC(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000265085358 210052593 /nfs/dbraw/zinc/05/25/93/210052593.db2.gz ZBTUKHSTJKLEFL-UHFFFAOYSA-N 1 1 365.434 0.146 20 5 FCBDMO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000264924849 210017984 /nfs/dbraw/zinc/01/79/84/210017984.db2.gz LLLKFAADZGKUKR-LBPRGKRZSA-N 1 1 351.363 0.787 20 5 FCBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000332343144 215134310 /nfs/dbraw/zinc/13/43/10/215134310.db2.gz LYOHHGCGYSDNNG-TXEJJXNPSA-N 1 1 362.386 0.871 20 5 FCBDMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000284901826 213245222 /nfs/dbraw/zinc/24/52/22/213245222.db2.gz GFVDAXFZNWORDJ-JKSUJKDBSA-N 1 1 369.443 0.872 20 5 FCBDMO COCC(COC)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000413886865 237392563 /nfs/dbraw/zinc/39/25/63/237392563.db2.gz WHLXJGSPFFAKSB-UHFFFAOYSA-N 1 1 351.403 0.943 20 5 FCBDMO O=C(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)c1[nH]ncc1[N+](=O)[O-] ZINC000245879578 209377525 /nfs/dbraw/zinc/37/75/25/209377525.db2.gz AYUWTIIZOMWUCU-KBPBESRZSA-N 1 1 359.386 0.931 20 5 FCBDMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000369349503 216388953 /nfs/dbraw/zinc/38/89/53/216388953.db2.gz ZCNJUYLYKRDBIZ-ZDUSSCGKSA-N 1 1 366.393 0.870 20 5 FCBDMO C[C@@H]1C[N@@H+](CCCNC(=O)NCCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000277320599 212349710 /nfs/dbraw/zinc/34/97/10/212349710.db2.gz CDJONFYTXQCILY-CYBMUJFWSA-N 1 1 354.411 0.591 20 5 FCBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000188425018 209230050 /nfs/dbraw/zinc/23/00/50/209230050.db2.gz QUBAWHVDBFHDQH-HNNXBMFYSA-N 1 1 361.402 0.556 20 5 FCBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186618355 209194722 /nfs/dbraw/zinc/19/47/22/209194722.db2.gz IMMQWTVWMYCZBW-LBPRGKRZSA-N 1 1 350.350 0.770 20 5 FCBDMO Nc1c(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc(F)cc1[N+](=O)[O-] ZINC000186631995 209194295 /nfs/dbraw/zinc/19/42/95/209194295.db2.gz BUALPTCHAYSGKT-NSHDSACASA-N 1 1 365.365 0.353 20 5 FCBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCC[N@H+]1CCCOCC1 ZINC000275949307 212126077 /nfs/dbraw/zinc/12/60/77/212126077.db2.gz YJZKXRSWCOFKAO-UHFFFAOYSA-N 1 1 350.375 0.163 20 5 FCBDMO C[C@@H](O)C[NH+]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000275415075 212022396 /nfs/dbraw/zinc/02/23/96/212022396.db2.gz HOMFARPVRRBEBW-CYBMUJFWSA-N 1 1 364.402 0.240 20 5 FCBDMO CN(C)c1noc([C@@H]2CCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000374636957 217151346 /nfs/dbraw/zinc/15/13/46/217151346.db2.gz PFBNSPZLSOPRJQ-DGCLKSJQSA-N 1 1 365.394 0.481 20 5 FCBDMO [NH3+]CC(F)(F)CNC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419162683 246027038 /nfs/dbraw/zinc/02/70/38/246027038.db2.gz HUKYJXLQIMKKPX-UHFFFAOYSA-N 1 1 350.709 0.575 20 5 FCBDMO CNC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000272897715 211629138 /nfs/dbraw/zinc/62/91/38/211629138.db2.gz OYGBFKBEPCRLGF-AWEZNQCLSA-N 1 1 366.374 0.379 20 5 FCBDMO CNC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000272897715 211629141 /nfs/dbraw/zinc/62/91/41/211629141.db2.gz OYGBFKBEPCRLGF-AWEZNQCLSA-N 1 1 366.374 0.379 20 5 FCBDMO C[C@@H](O)C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H](C)CO ZINC000443330331 248321468 /nfs/dbraw/zinc/32/14/68/248321468.db2.gz NBDWZMOJVCAHRX-VXGBXAGGSA-N 1 1 353.375 0.956 20 5 FCBDMO C[N@@H+]1CCCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000271380211 211390845 /nfs/dbraw/zinc/39/08/45/211390845.db2.gz QPMCFANVZWMORM-UHFFFAOYSA-N 1 1 357.388 0.692 20 5 FCBDMO C[N@H+]1CCCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000271380211 211390850 /nfs/dbraw/zinc/39/08/50/211390850.db2.gz QPMCFANVZWMORM-UHFFFAOYSA-N 1 1 357.388 0.692 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC(C)(CO)CO ZINC000270359246 211190612 /nfs/dbraw/zinc/19/06/12/211190612.db2.gz WULYQXKWTLCPLI-UHFFFAOYSA-N 1 1 355.391 0.855 20 5 FCBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000469976513 250016367 /nfs/dbraw/zinc/01/63/67/250016367.db2.gz YDXMXNMFNXZPMF-OLZOCXBDSA-N 1 1 367.454 0.189 20 5 FCBDMO C[C@@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000472607842 250165481 /nfs/dbraw/zinc/16/54/81/250165481.db2.gz NXDAVHATLHDDJX-NSHDSACASA-N 1 1 368.365 0.757 20 5 FCBDMO COC(=O)COc1ccc(C[NH2+][C@H](CO)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000474004283 250264022 /nfs/dbraw/zinc/26/40/22/250264022.db2.gz DRRXNJOWZBSUJN-CYBMUJFWSA-N 1 1 364.358 0.703 20 5 FCBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000481677559 250349376 /nfs/dbraw/zinc/34/93/76/250349376.db2.gz OHDXHPINIIPMAH-LSDHHAIUSA-N 1 1 373.413 0.941 20 5 FCBDMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)cc2)CC1 ZINC000056299530 208005302 /nfs/dbraw/zinc/00/53/02/208005302.db2.gz SAQKZHMJJHFZIE-UHFFFAOYSA-N 1 1 372.385 0.818 20 5 FCBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000078877692 208086951 /nfs/dbraw/zinc/08/69/51/208086951.db2.gz LJFYQVLQIDGDJC-INIZCTEOSA-N 1 1 360.414 0.902 20 5 FCBDMO CC[N@H+](C)CCNc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000091461250 208138007 /nfs/dbraw/zinc/13/80/07/208138007.db2.gz NPCMRINBPXFVPE-UHFFFAOYSA-N 1 1 373.479 0.798 20 5 FCBDMO CC[N@@H+](C)CCNc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000091461250 208138011 /nfs/dbraw/zinc/13/80/11/208138011.db2.gz NPCMRINBPXFVPE-UHFFFAOYSA-N 1 1 373.479 0.798 20 5 FCBDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266560168 210357112 /nfs/dbraw/zinc/35/71/12/210357112.db2.gz XGEDVJWUKJIPGN-GUTXKFCHSA-N 1 1 369.422 0.015 20 5 FCBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)C[C@H](C)O1 ZINC000072032074 221398446 /nfs/dbraw/zinc/39/84/46/221398446.db2.gz KHTFSSWEIJXDBN-SCRDCRAPSA-N 1 1 362.386 0.775 20 5 FCBDMO C[C@@H]1C[N@H+](C[C@H](O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)C[C@H](C)O1 ZINC000072032074 221398448 /nfs/dbraw/zinc/39/84/48/221398448.db2.gz KHTFSSWEIJXDBN-SCRDCRAPSA-N 1 1 362.386 0.775 20 5 FCBDMO 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GNKPJHWOMNJBMW-GFCCVEGCSA-N 1 1 367.786 0.732 20 5 FCBDMO CC[N@@H+](CCO)CCNC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O ZINC000829551510 669707867 /nfs/dbraw/zinc/70/78/67/669707867.db2.gz JTNKCVOOZUPNBR-UHFFFAOYSA-N 1 1 356.354 0.736 20 5 FCBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCN1CCOC1=O ZINC000817289371 670006827 /nfs/dbraw/zinc/00/68/27/670006827.db2.gz XXXNUOAMAUSLQL-UHFFFAOYSA-N 1 1 372.403 0.257 20 5 FCBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCN1CCOC1=O ZINC000817289371 670006833 /nfs/dbraw/zinc/00/68/33/670006833.db2.gz XXXNUOAMAUSLQL-UHFFFAOYSA-N 1 1 372.403 0.257 20 5 FCBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967945622 675165685 /nfs/dbraw/zinc/16/56/85/675165685.db2.gz GGRBRPJYORBOQW-ZIAGYGMSSA-N 1 1 352.435 0.585 20 5 FCBDMO O=C1OCCN1[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000852434143 671506706 /nfs/dbraw/zinc/50/67/06/671506706.db2.gz JTFYQHRIYQVSMR-UONOGXRCSA-N 1 1 351.359 0.861 20 5 FCBDMO O=[N+]([O-])c1nn(CN2CC[NH+]([C@H]3CCOC3)CC2)cc1Br ZINC000853554383 671549996 /nfs/dbraw/zinc/54/99/96/671549996.db2.gz WVVUTKDPPQRMDY-JTQLQIEISA-N 1 1 360.212 0.918 20 5 FCBDMO C[C@@H](C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)NC(=O)OC(C)(C)C ZINC000860093474 671869979 /nfs/dbraw/zinc/86/99/79/671869979.db2.gz BVDKCCURFQVVDN-AAEUAGOBSA-N 1 1 357.411 0.997 20 5 FCBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])ncc1Br ZINC000863319179 672113597 /nfs/dbraw/zinc/11/35/97/672113597.db2.gz HGTVEJWUVCSFJK-MRVPVSSYSA-N 1 1 359.180 0.549 20 5 FCBDMO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001055331912 676016308 /nfs/dbraw/zinc/01/63/08/676016308.db2.gz UBNRJQIQQSSBED-XJFOESAGSA-N 1 1 352.435 0.299 20 5 FCBDMO CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001055331912 676016313 /nfs/dbraw/zinc/01/63/13/676016313.db2.gz UBNRJQIQQSSBED-XJFOESAGSA-N 1 1 352.435 0.299 20 5 FCBDMO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001055331912 676016317 /nfs/dbraw/zinc/01/63/17/676016317.db2.gz UBNRJQIQQSSBED-XJFOESAGSA-N 1 1 352.435 0.299 20 5 FCBDMO CCCCCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055517892 676022159 /nfs/dbraw/zinc/02/21/59/676022159.db2.gz MTFDFUAUPMMUEE-HUUCEWRRSA-N 1 1 354.451 0.929 20 5 FCBDMO C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1C[N@@H+](C)CCN1C ZINC000900803513 675717643 /nfs/dbraw/zinc/71/76/43/675717643.db2.gz JVPGXTSSSQSNJJ-GXFFZTMASA-N 1 1 350.375 0.688 20 5 FCBDMO Cn1ncc(C[NH2+]C[C@H]2CC[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001048607751 675866675 /nfs/dbraw/zinc/86/66/75/675866675.db2.gz KZIWGFHTYSDAGN-QHSBEEBCSA-N 1 1 350.423 0.493 20 5 FCBDMO CN(CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000988566294 1192299090 /nfs/dbraw/zinc/29/90/90/1192299090.db2.gz YGDXPODSZKTFEO-HZPDHXFCSA-N 1 1 366.462 0.690 20 5 FCBDMO Cc1c(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)ccc2c[nH+]cn21 ZINC000973255365 1182142283 /nfs/dbraw/zinc/14/22/83/1182142283.db2.gz DHZDIXBBWOXUOW-YIKOMLBNSA-N 1 1 357.370 0.685 20 5 FCBDMO Cc1cc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(N)c([N+](=O)[O-])c1 ZINC000104885425 1186041546 /nfs/dbraw/zinc/04/15/46/1186041546.db2.gz IPNUABPDBPBVIY-GFCCVEGCSA-N 1 1 363.418 0.803 20 5 FCBDMO O=C(N[C@H]1C[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000979987880 1186157497 /nfs/dbraw/zinc/15/74/97/1186157497.db2.gz RKFUZFHGBNORLX-KBUPBQIOSA-N 1 1 364.446 0.539 20 5 FCBDMO C[C@@H](Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895247486 1189804109 /nfs/dbraw/zinc/80/41/09/1189804109.db2.gz USNRXRWTRFXYBX-CHWSQXEVSA-N 1 1 365.438 0.268 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+](C)C1 ZINC000840504845 1190035017 /nfs/dbraw/zinc/03/50/17/1190035017.db2.gz SRRLXIKYMNWQLJ-NSHDSACASA-N 1 1 369.349 0.676 20 5 FCBDMO C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1C[N@@H+](C)CCN1C ZINC000896580387 1190102500 /nfs/dbraw/zinc/10/25/00/1190102500.db2.gz IBJUXAYRJKXSCP-FZMZJTMJSA-N 1 1 364.402 0.730 20 5 FCBDMO CC(C)C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000985828621 1190826680 /nfs/dbraw/zinc/82/66/80/1190826680.db2.gz IYQPDJMEWMJBSV-HUUCEWRRSA-N 1 1 367.450 0.189 20 5 FCBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NC1C2CC3CC(C2)CC1C3 ZINC001126938477 1194626040 /nfs/dbraw/zinc/62/60/40/1194626040.db2.gz APJDDNUTAWSELE-WGNURCRPSA-N 1 1 364.446 0.298 20 5 FCBDMO Cc1ccc(CN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)o1 ZINC001126938911 1194629491 /nfs/dbraw/zinc/62/94/91/1194629491.db2.gz MTMBWKBHBYOCEZ-HUUCEWRRSA-N 1 1 364.402 0.450 20 5 FCBDMO O=C(NCC[NH2+]CCCN1C(=O)c2ccccc2C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126944001 1194965859 /nfs/dbraw/zinc/96/58/59/1194965859.db2.gz ZUMUSRHSRJGRLZ-ZIAGYGMSSA-N 1 1 360.370 0.044 20 5 FCBDMO C[N@@H+]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H](CO)C1 ZINC000912749740 1196370329 /nfs/dbraw/zinc/37/03/29/1196370329.db2.gz JOMMBPSBUGIKHH-OAHLLOKOSA-N 1 1 362.430 0.946 20 5 FCBDMO C[N@H+]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H](CO)C1 ZINC000912749740 1196370333 /nfs/dbraw/zinc/37/03/33/1196370333.db2.gz JOMMBPSBUGIKHH-OAHLLOKOSA-N 1 1 362.430 0.946 20 5 FCBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000591886005 1196529881 /nfs/dbraw/zinc/52/98/81/1196529881.db2.gz SHPQMKBRZOIIHA-UHFFFAOYSA-N 1 1 363.418 0.629 20 5 FCBDMO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592424443 1196561825 /nfs/dbraw/zinc/56/18/25/1196561825.db2.gz NUFVJBHXINGBPS-GFCCVEGCSA-N 1 1 364.402 0.653 20 5 FCBDMO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cnnn2-c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363138 1198326489 /nfs/dbraw/zinc/32/64/89/1198326489.db2.gz DEJCWMSNIGTDSY-BQGCOEIASA-N 1 1 370.413 0.917 20 5 FCBDMO CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@@H]2C1 ZINC000821329308 1203202357 /nfs/dbraw/zinc/20/23/57/1203202357.db2.gz YYMISQYHISPGLA-GASCZTMLSA-N 1 1 358.398 0.894 20 5 FCBDMO CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@@H]2C1 ZINC000821329308 1203202360 /nfs/dbraw/zinc/20/23/60/1203202360.db2.gz YYMISQYHISPGLA-GASCZTMLSA-N 1 1 358.398 0.894 20 5 FCBDMO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000843998015 1203328704 /nfs/dbraw/zinc/32/87/04/1203328704.db2.gz JWIAAINWCJMFSL-CQSZACIVSA-N 1 1 364.358 0.713 20 5 FCBDMO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000843998015 1203328707 /nfs/dbraw/zinc/32/87/07/1203328707.db2.gz JWIAAINWCJMFSL-CQSZACIVSA-N 1 1 364.358 0.713 20 5 FCBDMO O=C(C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1cnccn1 ZINC001178458798 1206357549 /nfs/dbraw/zinc/35/75/49/1206357549.db2.gz YSXDKAPFCHSMEG-CHWSQXEVSA-N 1 1 364.406 0.347 20 5 FCBDMO Cc1cc(NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC001178458417 1206357651 /nfs/dbraw/zinc/35/76/51/1206357651.db2.gz GMQJRZJIJGSNJL-CHWSQXEVSA-N 1 1 367.406 0.853 20 5 FCBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776585937 1209542633 /nfs/dbraw/zinc/54/26/33/1209542633.db2.gz DVJOZEUIJVJROS-IRXDYDNUSA-N 1 1 362.430 0.867 20 5 FCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883155824 1210655796 /nfs/dbraw/zinc/65/57/96/1210655796.db2.gz UMKGGFCIQAZKMS-AWEZNQCLSA-N 1 1 365.434 0.460 20 5 FCBDMO O=C(NC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000947424148 1212028377 /nfs/dbraw/zinc/02/83/77/1212028377.db2.gz BBUWIJCVZMQHIZ-HUUCEWRRSA-N 1 1 357.370 0.720 20 5 FCBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000954239249 1213049431 /nfs/dbraw/zinc/04/94/31/1213049431.db2.gz BIOSCCHICDVOFF-HZPDHXFCSA-N 1 1 364.446 0.443 20 5 FCBDMO Cc1c(C(=O)N2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)ccc2c[nH+]cn21 ZINC000954242841 1213051646 /nfs/dbraw/zinc/05/16/46/1213051646.db2.gz YABJMQWXPNFQFO-HUUCEWRRSA-N 1 1 357.370 0.591 20 5 FCBDMO CCn1c(C)nnc1C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000963788799 1214851159 /nfs/dbraw/zinc/85/11/59/1214851159.db2.gz REQQCDGPUYXPJZ-FZOOGMQUSA-N 1 1 362.434 0.789 20 5 FCBDMO CC(C)n1nnnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001050326288 1216307282 /nfs/dbraw/zinc/30/72/82/1216307282.db2.gz WAPQARYPVWZOPD-AAVRWANBSA-N 1 1 365.438 0.684 20 5 FCBDMO CCc1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1C ZINC001050325436 1216307350 /nfs/dbraw/zinc/30/73/50/1216307350.db2.gz DEGGZSZUPXQBAL-AAVRWANBSA-N 1 1 364.450 0.807 20 5 FCBDMO CCC1(NC(=O)C23CC[NH+](CC2)C3)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001069368617 1216786975 /nfs/dbraw/zinc/78/69/75/1216786975.db2.gz ZPAJSADZBJMFBZ-ZIAGYGMSSA-N 1 1 364.446 0.635 20 5 FCBDMO O=C(CO[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC([N+](=O)[O-])([N+](=O)[O-])C1 ZINC001224798433 1225793588 /nfs/dbraw/zinc/79/35/88/1225793588.db2.gz YNAKIQHCJPSQRH-CQSZACIVSA-N 1 1 364.358 0.369 20 5 FCBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1CCCC1=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525424 1218279231 /nfs/dbraw/zinc/27/92/31/1218279231.db2.gz UIXCJPUQQWUXOO-YIDVYQOGSA-N 1 1 364.446 0.633 20 5 FCBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1CCCC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001048525424 1218279244 /nfs/dbraw/zinc/27/92/44/1218279244.db2.gz UIXCJPUQQWUXOO-YIDVYQOGSA-N 1 1 364.446 0.633 20 5 FCBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1CCCC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001048525424 1218279245 /nfs/dbraw/zinc/27/92/45/1218279245.db2.gz UIXCJPUQQWUXOO-YIDVYQOGSA-N 1 1 364.446 0.633 20 5 FCBDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000826746712 1218904558 /nfs/dbraw/zinc/90/45/58/1218904558.db2.gz JVAKOQCUGXUHID-MLGOLLRUSA-N 1 1 365.386 0.724 20 5 FCBDMO C/C(=C\C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001055532715 1219069779 /nfs/dbraw/zinc/06/97/79/1219069779.db2.gz JTIPRLNZZFHSFE-CJDUSVOKSA-N 1 1 364.446 0.705 20 5 FCBDMO Cn1cccc1C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575055 1219083882 /nfs/dbraw/zinc/08/38/82/1219083882.db2.gz JQFHIDQSHZMANJ-UKRRQHHQSA-N 1 1 363.418 0.001 20 5 FCBDMO CC(C)(C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001055575720 1219084890 /nfs/dbraw/zinc/08/48/90/1219084890.db2.gz KDHHTADZRMYRMW-HUUCEWRRSA-N 1 1 366.462 0.785 20 5 FCBDMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc([N+](=O)[O-])ccc1F ZINC000827957548 1219590033 /nfs/dbraw/zinc/59/00/33/1219590033.db2.gz VNYGYNDSYBSMLZ-CYBMUJFWSA-N 1 1 366.393 0.870 20 5 FCBDMO Cn1ncnc1C[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001101540605 1220377027 /nfs/dbraw/zinc/37/70/27/1220377027.db2.gz LGCFMEBMRXDJRD-ZIAGYGMSSA-N 1 1 364.450 0.835 20 5 FCBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001117347966 1221527542 /nfs/dbraw/zinc/52/75/42/1221527542.db2.gz XZFMNMZRQNBRDT-BLLLJJGKSA-N 1 1 360.414 0.852 20 5 FCBDMO Cn1c(Cc2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001121414622 1222175977 /nfs/dbraw/zinc/17/59/77/1222175977.db2.gz DGRWFRLPROXUBH-HNNXBMFYSA-N 1 1 358.402 0.835 20 5 FCBDMO Cn1c(Cc2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001121414622 1222175982 /nfs/dbraw/zinc/17/59/82/1222175982.db2.gz DGRWFRLPROXUBH-HNNXBMFYSA-N 1 1 358.402 0.835 20 5 FCBDMO COCC[NH+]1CCN(c2nnc(C[N+](=O)[O-])n2C[C@@H]2CCCCO2)CC1 ZINC001123276501 1222328189 /nfs/dbraw/zinc/32/81/89/1222328189.db2.gz VUHLDDDHSXYZNF-AWEZNQCLSA-N 1 1 368.438 0.392 20 5 FCBDMO Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000839483841 1222741198 /nfs/dbraw/zinc/74/11/98/1222741198.db2.gz GOZDHXOJGFXWDL-KBPBESRZSA-N 1 1 362.386 0.821 20 5 FCBDMO C[N@H+]1CC[C@@H]2CN(CN3C(=O)N[C@](C)(c4ccc([N+](=O)[O-])cc4)C3=O)C[C@@H]21 ZINC000840132087 1222772567 /nfs/dbraw/zinc/77/25/67/1222772567.db2.gz GRYBHUGVQYIJAA-HNJNHCNJSA-N 1 1 373.413 0.955 20 5 FCBDMO CN1C(=O)CCc2cc(C[NH2+]CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])ccc21 ZINC001157767098 1223081846 /nfs/dbraw/zinc/08/18/46/1223081846.db2.gz HFDBZTGVVUHABS-GDBMZVCRSA-N 1 1 360.414 0.857 20 5 FCBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccc2c(c1)CCC2 ZINC001157775657 1223082190 /nfs/dbraw/zinc/08/21/90/1223082190.db2.gz UVSQSAKOBFWMPB-HZPDHXFCSA-N 1 1 360.414 0.875 20 5 FCBDMO Cc1ccc(CNC(=O)C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1F ZINC001157775304 1223082219 /nfs/dbraw/zinc/08/22/19/1223082219.db2.gz OLIIUVKCIZBCKX-UKRRQHHQSA-N 1 1 366.393 0.511 20 5 FCBDMO COCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](Cc2ocnc2C)CC1 ZINC001162263957 1223211988 /nfs/dbraw/zinc/21/19/88/1223211988.db2.gz AYRIMGXANRAYNG-ZIAGYGMSSA-N 1 1 366.418 0.993 20 5 FCBDMO CC(C)c1nnc(C[NH2+]CC2(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1C ZINC001164490406 1223239186 /nfs/dbraw/zinc/23/91/86/1223239186.db2.gz IGYSAUVZOCDUOO-CHWSQXEVSA-N 1 1 364.450 0.980 20 5 FCBDMO O=[N+]([O-])c1cc[n+]([O-])c(N2CCc3[nH+]cc(Cn4cccn4)n3CC2)c1 ZINC001165968949 1223263583 /nfs/dbraw/zinc/26/35/83/1223263583.db2.gz PTNJQUYZHRRCKP-UHFFFAOYSA-N 1 1 355.358 0.732 20 5 FCBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000800617930 1245312285 /nfs/dbraw/zinc/31/22/85/1245312285.db2.gz ZTUSMVBGKZGDGB-GXFFZTMASA-N 1 1 368.365 0.816 20 5 FCBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000800617930 1245312286 /nfs/dbraw/zinc/31/22/86/1245312286.db2.gz ZTUSMVBGKZGDGB-GXFFZTMASA-N 1 1 368.365 0.816 20 5 FCBDMO CCOCC[NH+]1CCN(c2nnc(C[N+](=O)[O-])n2C[C@@H]2CCOC2)CC1 ZINC001516205632 1265540183 /nfs/dbraw/zinc/54/01/83/1265540183.db2.gz OGXHYMLXODSRKL-AWEZNQCLSA-N 1 1 368.438 0.250 20 5 FCBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2nnc3n2CCCC3)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034643916 1253998414 /nfs/dbraw/zinc/99/84/14/1253998414.db2.gz UONOPIJTGQWXHB-AAVRWANBSA-N 1 1 362.434 0.797 20 5 FCBDMO COc1coc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1=O ZINC001034645969 1253999784 /nfs/dbraw/zinc/99/97/84/1253999784.db2.gz YDNHZTYYQXEUDR-HBJVGIJOSA-N 1 1 365.386 0.831 20 5 FCBDMO O=C(C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NCc1ccccc1 ZINC001200461803 1259415282 /nfs/dbraw/zinc/41/52/82/1259415282.db2.gz KUZXHLUVZLPBEW-HZPDHXFCSA-N 1 1 360.414 0.549 20 5 FCBDMO CNC(=O)CN1CCO[C@H]2C[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254599523 1259888963 /nfs/dbraw/zinc/88/89/63/1259888963.db2.gz ZNJQPKBIKMVVHL-BBWFWOEESA-N 1 1 360.414 0.193 20 5 FCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001336696656 1260204225 /nfs/dbraw/zinc/20/42/25/1260204225.db2.gz ABDUNKJFGNRHHG-UHFFFAOYSA-N 1 1 350.423 0.617 20 5 FCBDMO COc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC001321773531 1264057003 /nfs/dbraw/zinc/05/70/03/1264057003.db2.gz PWLNGAMQZUHWRQ-LBPRGKRZSA-N 1 1 362.386 0.573 20 5 FCBDMO C[C@@H](NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC001323570648 1264458127 /nfs/dbraw/zinc/45/81/27/1264458127.db2.gz ORNXMNZCXIDJGS-DOMZBBRYSA-N 1 1 364.402 0.389 20 5 FCBDMO C[C@@H](NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC001323570648 1264458139 /nfs/dbraw/zinc/45/81/39/1264458139.db2.gz ORNXMNZCXIDJGS-DOMZBBRYSA-N 1 1 364.402 0.389 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001323696881 1264488844 /nfs/dbraw/zinc/48/88/44/1264488844.db2.gz YQCAESZFHXXLSM-WCQYABFASA-N 1 1 364.402 0.819 20 5 FCBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC001323942213 1264546029 /nfs/dbraw/zinc/54/60/29/1264546029.db2.gz QKAPSVJNPNGEJD-CQSZACIVSA-N 1 1 364.402 0.820 20 5 FCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001324092494 1264574694 /nfs/dbraw/zinc/57/46/94/1264574694.db2.gz RDSGXLKZQNONAW-IUODEOHRSA-N 1 1 360.414 0.852 20 5 FCBDMO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001327436113 1265320717 /nfs/dbraw/zinc/32/07/17/1265320717.db2.gz ILIATRRDBBGQGZ-LSDHHAIUSA-N 1 1 362.386 0.190 20 5 FCBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001327624884 1265378211 /nfs/dbraw/zinc/37/82/11/1265378211.db2.gz RDMAUDXKLZNENH-AWEZNQCLSA-N 1 1 360.414 0.854 20 5 FCBDMO COCC[NH+]1CCN(c2nnc(C[N+](=O)[O-])n2Cc2cccs2)CC1 ZINC001515058422 1265411370 /nfs/dbraw/zinc/41/13/70/1265411370.db2.gz GHURCDJMTCAXCM-UHFFFAOYSA-N 1 1 366.447 0.933 20 5 FCBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(C[N+](=O)[O-])n2C)CC1 ZINC001339555037 1268269480 /nfs/dbraw/zinc/26/94/80/1268269480.db2.gz VDUAWVWQTMDEEV-OKILXGFUSA-N 1 1 351.455 0.587 20 5 FCBDMO COCCn1c(C[N+](=O)[O-])nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001341513405 1269044971 /nfs/dbraw/zinc/04/49/71/1269044971.db2.gz CMUKPUXSCXGCFQ-UHFFFAOYSA-N 1 1 356.427 0.248 20 5 FCBDMO COCCn1c(C[N+](=O)[O-])nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001341513405 1269044981 /nfs/dbraw/zinc/04/49/81/1269044981.db2.gz CMUKPUXSCXGCFQ-UHFFFAOYSA-N 1 1 356.427 0.248 20 5 FCBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001342139345 1269368105 /nfs/dbraw/zinc/36/81/05/1269368105.db2.gz OJRGJTIZMCRIJD-CYBMUJFWSA-N 1 1 366.422 0.288 20 5 FCBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCc2nc[nH]c2[C@]12CC[NH2+]C2 ZINC001580562140 1278488257 /nfs/dbraw/zinc/48/82/57/1278488257.db2.gz KAJAIYXNJVFGNO-QGZVFWFLSA-N 1 1 357.370 0.970 20 5 FCBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001578874064 1276402954 /nfs/dbraw/zinc/40/29/54/1276402954.db2.gz IEWMHVCHGUUYSU-UWVGGRQHSA-N 1 1 357.388 0.752 20 5 FCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001582803378 1282028111 /nfs/dbraw/zinc/02/81/11/1282028111.db2.gz FLTMJJRBASGLSF-LLVKDONJSA-N 1 1 360.378 0.328 20 5 FCBDMO COC1(OC)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1O ZINC001591346963 1284484447 /nfs/dbraw/zinc/48/44/47/1284484447.db2.gz VQYBSUZHXUEKIU-CYBMUJFWSA-N 1 1 364.362 0.331 20 5 FCBDMO COC1(OC)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1O ZINC001591346963 1284484454 /nfs/dbraw/zinc/48/44/54/1284484454.db2.gz VQYBSUZHXUEKIU-CYBMUJFWSA-N 1 1 364.362 0.331 20 5 FCBDMO C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)[NH+](C)C ZINC001591724191 1284857068 /nfs/dbraw/zinc/85/70/68/1284857068.db2.gz UBPSLHFMUWSMPP-QMMMGPOBSA-N 1 1 355.380 0.003 20 5 FCBDMO C[N@@H+](CCNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])CCOCCO ZINC001604771769 1287773036 /nfs/dbraw/zinc/77/30/36/1287773036.db2.gz VBLMJHDQLHLUFG-UHFFFAOYSA-N 1 1 351.367 0.128 20 5 FCBDMO C[N@@H+](CCNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])CCOCCO ZINC001604773604 1287774611 /nfs/dbraw/zinc/77/46/11/1287774611.db2.gz RNVRNTFGQDMEED-UHFFFAOYSA-N 1 1 351.367 0.128 20 5 FCBDMO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC001592740506 1285659213 /nfs/dbraw/zinc/65/92/13/1285659213.db2.gz LBQJFZUEKBGJCE-IUCAKERBSA-N 1 1 367.391 0.323 20 5 FCBDMO O=[N+]([O-])c1ccc2nc(NCC[N@@H+]3CC[C@H](O)C3)cc(-c3nn[nH]n3)c2c1 ZINC001593480901 1286174673 /nfs/dbraw/zinc/17/46/73/1286174673.db2.gz SBZISIBWWSMTPY-NSHDSACASA-N 1 1 370.373 0.802 20 5 FCBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3cnccc3-c3nn[nH]n3)CC2)c1 ZINC001607085446 1288654352 /nfs/dbraw/zinc/65/43/52/1288654352.db2.gz CFTJNSPBPLFBFX-UHFFFAOYSA-N 1 1 370.377 0.189 20 5 FCBDMO CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001609093006 1288914867 /nfs/dbraw/zinc/91/48/67/1288914867.db2.gz KTVFMDXWOWYBMH-SECBINFHSA-N 1 1 369.407 0.427 20 5 FCBDMO O=C(C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NCC1CCC1 ZINC001698707002 1289533498 /nfs/dbraw/zinc/53/34/98/1289533498.db2.gz GTVJROMJUZDWDG-KBUPBQIOSA-N 1 1 352.435 0.585 20 5 FCBDMO CN(CC1CCN(C(=O)CCC[NH+](C)C)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001688581566 1294510532 /nfs/dbraw/zinc/51/05/32/1294510532.db2.gz KWVQHLWBQQNAIA-HUUCEWRRSA-N 1 1 354.451 0.690 20 5 FCBDMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NCCC1CCCCC1 ZINC001690274492 1294863170 /nfs/dbraw/zinc/86/31/70/1294863170.db2.gz SHUCLYUZXUNTBU-KLHDSHLOSA-N 1 1 366.462 0.975 20 5 FCBDMO COCC[N@H+]1CCO[C@@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])CC[C@@H]2C1 ZINC001164851876 720833422 /nfs/dbraw/zinc/83/34/22/720833422.db2.gz ILRBVSMRZITMCC-UKRRQHHQSA-N 1 1 352.391 0.402 20 5 FCBDMO C[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2CC1 ZINC001074364917 837794173 /nfs/dbraw/zinc/79/41/73/837794173.db2.gz MSYJVACSOPCZQB-LXTVHRRPSA-N 1 1 352.435 0.300 20 5 FCBDMO C[NH+]1CCC(CC(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)CC1 ZINC001062992927 836747191 /nfs/dbraw/zinc/74/71/91/836747191.db2.gz GWQIWZMMGDYKLE-ZIAGYGMSSA-N 1 1 352.435 0.539 20 5 FCBDMO CC1CCN(C(=O)C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001086082182 842118440 /nfs/dbraw/zinc/11/84/40/842118440.db2.gz BHEXQXVAPGNRQH-LXTVHRRPSA-N 1 1 352.435 0.395 20 5 FCBDMO CCN(CC)C(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001121081635 848316110 /nfs/dbraw/zinc/31/61/10/848316110.db2.gz PQELYXCWUBMVLU-FZOOGMQUSA-N 1 1 352.435 0.537 20 5 FCBDMO O=[N+]([O-])Cc1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CC1CC1 ZINC001123508049 848600236 /nfs/dbraw/zinc/60/02/36/848600236.db2.gz VIFPPLQHGSCHND-CQSZACIVSA-N 1 1 350.423 0.766 20 5 FCBDMO Cn1nc(C(F)(F)F)c(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1Cl ZINC001126936450 848713318 /nfs/dbraw/zinc/71/33/18/848713318.db2.gz IOZBSPVRKDXSGT-HTRCEHHLSA-N 1 1 369.731 0.963 20 5 FCBDMO Cc1sc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1C ZINC001126939443 848714952 /nfs/dbraw/zinc/71/49/52/848714952.db2.gz YNOMLEPHSVNWRC-VXGBXAGGSA-N 1 1 354.432 0.983 20 5 FCBDMO O=c1cc(CNc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])nc2n1CCC[NH2+]C2 ZINC001155489244 849856169 /nfs/dbraw/zinc/85/61/69/849856169.db2.gz SNTFALJLSIENBY-UHFFFAOYSA-N 1 1 366.765 0.544 20 5 FCBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCc1ccccc1F ZINC001157775661 849994726 /nfs/dbraw/zinc/99/47/26/849994726.db2.gz VDMBJRLDZQAMSE-TZMCWYRMSA-N 1 1 352.366 0.203 20 5 FCBDMO CC(C)[C@H](CNC(=O)c1cnc(N)c([N+](=O)[O-])c1)[NH+]1CCN(C)CC1 ZINC001160885676 850211597 /nfs/dbraw/zinc/21/15/97/850211597.db2.gz IEBHEJGTPJUYMR-AWEZNQCLSA-N 1 1 350.423 0.574 20 5 FCBDMO Cc1nn(C)c(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)c1[N+](=O)[O-] ZINC001161578440 850272684 /nfs/dbraw/zinc/27/26/84/850272684.db2.gz GRJWYSDPYIKQBN-VXGBXAGGSA-N 1 1 351.407 0.866 20 5 FCBDMO COCCCC[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])(COC)CC1 ZINC001162270371 850305763 /nfs/dbraw/zinc/30/57/63/850305763.db2.gz GYEKMHWJYJZXKZ-HUUCEWRRSA-N 1 1 357.451 0.923 20 5 FCBDMO CC(C)[N@@H+](CCO)CC1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001162806566 850332297 /nfs/dbraw/zinc/33/22/97/850332297.db2.gz XMSBDQWCOBUQFL-UHFFFAOYSA-N 1 1 353.423 0.883 20 5 FCBDMO COC(=O)C1([NH3+])CCN(c2nc(NC(C)=O)nc(C)c2[N+](=O)[O-])CC1 ZINC001166800987 850505008 /nfs/dbraw/zinc/50/50/08/850505008.db2.gz WFLLLKKWKNZYNG-UHFFFAOYSA-N 1 1 352.351 0.122 20 5 FCBDMO O=C([C@H]1COC[C@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21)N1CCCO1 ZINC001169026628 850603602 /nfs/dbraw/zinc/60/36/02/850603602.db2.gz YDMZFWMDRJWSKD-QCODTGAPSA-N 1 1 353.419 0.790 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N(CCC[NH2+]CCOCCO)CC1CCCC1 ZINC001177313758 850837462 /nfs/dbraw/zinc/83/74/62/850837462.db2.gz NUXKXBXAIMBSLW-HZPDHXFCSA-N 1 1 357.451 0.659 20 5 FCBDMO O=C(C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NCC1CCC1 ZINC001205224378 853601307 /nfs/dbraw/zinc/60/13/07/853601307.db2.gz RAENMZCOAPCMOW-HUUCEWRRSA-N 1 1 352.435 0.396 20 5 FCBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCC(N)=O)CC1 ZINC001253346652 857881660 /nfs/dbraw/zinc/88/16/60/857881660.db2.gz RWCMOIUYPBLRLI-NSHDSACASA-N 1 1 350.375 0.888 20 5 FCBDMO C[NH+]1CCN(C(=O)CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001349617878 866396882 /nfs/dbraw/zinc/39/68/82/866396882.db2.gz YSPDJQVJCNNPKT-UHFFFAOYSA-N 1 1 354.794 0.681 20 5 FCBDMO COCC[N@@H+](C)CCN1C[C@H](Nc2ncc([N+](=O)[O-])c(C)n2)CC1=O ZINC001307145468 866644892 /nfs/dbraw/zinc/64/48/92/866644892.db2.gz APEZUWCFBJMYRE-GFCCVEGCSA-N 1 1 352.395 0.284 20 5 FCBDMO CNS(=O)(=O)c1ccc(N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC001307214513 866649576 /nfs/dbraw/zinc/64/95/76/866649576.db2.gz IDJHGCSDMKWQBQ-XHDPSFHLSA-N 1 1 371.463 0.549 20 5 FCBDMO COc1ccc(C[N@@H+](CCO)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001308035903 866692179 /nfs/dbraw/zinc/69/21/79/866692179.db2.gz XRCRZSYWCGWKAA-OAHLLOKOSA-N 1 1 350.375 0.655 20 5 FCBDMO COC(=O)C1(C2(O)CC[NH+](Cc3cn(C)nc3[N+](=O)[O-])CC2)CCC1 ZINC001308135063 866705441 /nfs/dbraw/zinc/70/54/41/866705441.db2.gz HGEHLYAODKTFJE-UHFFFAOYSA-N 1 1 352.391 0.999 20 5 FCBDMO COCCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001355663688 867832811 /nfs/dbraw/zinc/83/28/11/867832811.db2.gz SSOZCSRWGUQTNO-QWHCGFSZSA-N 1 1 354.411 0.173 20 5 FCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCNS(C)(=O)=O ZINC001324183514 869499264 /nfs/dbraw/zinc/49/92/64/869499264.db2.gz HVTRXQRDEGZHBR-UHFFFAOYSA-N 1 1 358.420 0.713 20 5 FCBDMO C[C@H](c1nnc(N2CC[NH+]([C@@H]3CCOC3)CC2)n1CC1CC1)[N+](=O)[O-] ZINC001348155486 872611761 /nfs/dbraw/zinc/61/17/61/872611761.db2.gz ZOBOKNBXKDZZDW-TZMCWYRMSA-N 1 1 350.423 0.937 20 5 FCBDMO CS(=O)(=O)C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000292092384 214077377 /nfs/dbraw/zinc/07/73/77/214077377.db2.gz DJRCEPFXOBSUEP-TZMCWYRMSA-N 1 1 358.416 0.701 20 5 FCBDMO CS(=O)(=O)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000292092384 214077378 /nfs/dbraw/zinc/07/73/78/214077378.db2.gz DJRCEPFXOBSUEP-TZMCWYRMSA-N 1 1 358.416 0.701 20 5 FCBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000292131410 214079670 /nfs/dbraw/zinc/07/96/70/214079670.db2.gz SLLONZDORHAQSG-GFCCVEGCSA-N 1 1 372.447 0.718 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000295230957 214285479 /nfs/dbraw/zinc/28/54/79/214285479.db2.gz IKGWENYMSBATMM-GFCCVEGCSA-N 1 1 373.431 0.729 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295230957 214285480 /nfs/dbraw/zinc/28/54/80/214285480.db2.gz IKGWENYMSBATMM-GFCCVEGCSA-N 1 1 373.431 0.729 20 5 FCBDMO O=[N+]([O-])c1ccc(CCS(=O)(=O)NCC[NH+]2CCC(O)CC2)cc1 ZINC000295241134 214286000 /nfs/dbraw/zinc/28/60/00/214286000.db2.gz DRUQMYLOWLJYOE-UHFFFAOYSA-N 1 1 357.432 0.513 20 5 FCBDMO CN(CC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)c1ccccc1[N+](=O)[O-] ZINC000295374342 214295197 /nfs/dbraw/zinc/29/51/97/214295197.db2.gz GODCFHARZUKJPA-AWEZNQCLSA-N 1 1 350.419 0.994 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000296326511 214343869 /nfs/dbraw/zinc/34/38/69/214343869.db2.gz XMCFYKAWDGAUGJ-ZDUSSCGKSA-N 1 1 364.402 0.805 20 5 FCBDMO NC(=O)c1cccc(C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)c1 ZINC000296959038 214371398 /nfs/dbraw/zinc/37/13/98/214371398.db2.gz YFMZNKXXBMALSJ-INIZCTEOSA-N 1 1 359.386 0.916 20 5 FCBDMO CN(CC(=O)NC[C@@H]1CC[N@@H+](C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000265657391 210188869 /nfs/dbraw/zinc/18/88/69/210188869.db2.gz PZKATWXEZUPSCZ-LBPRGKRZSA-N 1 1 370.431 0.283 20 5 FCBDMO CCOC(=O)c1ccnc(NCC(=O)N2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000265602388 210177747 /nfs/dbraw/zinc/17/77/47/210177747.db2.gz SBWYHJRXGVNAIG-UHFFFAOYSA-N 1 1 365.390 0.743 20 5 FCBDMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000265435946 210135963 /nfs/dbraw/zinc/13/59/63/210135963.db2.gz GWIHXQFWTJRKEV-AWEZNQCLSA-N 1 1 373.417 0.513 20 5 FCBDMO NS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000265239409 210079308 /nfs/dbraw/zinc/07/93/08/210079308.db2.gz QXZYZFXZLSAURR-JSGCOSHPSA-N 1 1 373.431 0.335 20 5 FCBDMO Cc1cc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000265189724 210070595 /nfs/dbraw/zinc/07/05/95/210070595.db2.gz GXAWHSPISCPUAL-CQSZACIVSA-N 1 1 370.431 0.521 20 5 FCBDMO Cc1cc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000265189724 210070598 /nfs/dbraw/zinc/07/05/98/210070598.db2.gz GXAWHSPISCPUAL-CQSZACIVSA-N 1 1 370.431 0.521 20 5 FCBDMO CN(C)c1[nH+]cc(CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])n1C ZINC000265047838 210043868 /nfs/dbraw/zinc/04/38/68/210043868.db2.gz BDPJRQRHPFIECR-UHFFFAOYSA-N 1 1 361.358 0.902 20 5 FCBDMO COC[C@@H](C)NC(=O)NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285373639 213332168 /nfs/dbraw/zinc/33/21/68/213332168.db2.gz RCJZVHKJYDMYAA-GFCCVEGCSA-N 1 1 352.391 0.930 20 5 FCBDMO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285373639 213332170 /nfs/dbraw/zinc/33/21/70/213332170.db2.gz RCJZVHKJYDMYAA-GFCCVEGCSA-N 1 1 352.391 0.930 20 5 FCBDMO COCC(COC)[NH+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000412558362 237226756 /nfs/dbraw/zinc/22/67/56/237226756.db2.gz XJYCIRZYGPRUCV-UHFFFAOYSA-N 1 1 351.403 0.943 20 5 FCBDMO CNC(=O)[C@]1(C)CC[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000280305178 212624007 /nfs/dbraw/zinc/62/40/07/212624007.db2.gz BRBHERPVTKSVBK-SUMWQHHRSA-N 1 1 360.370 0.685 20 5 FCBDMO Cn1cc[nH+]c1[C@H]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000368302492 216230510 /nfs/dbraw/zinc/23/05/10/216230510.db2.gz UQVQZHJZRXMYBF-JTQLQIEISA-N 1 1 351.388 0.970 20 5 FCBDMO COC(=O)c1cn([C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)nn1 ZINC000368705356 216285557 /nfs/dbraw/zinc/28/55/57/216285557.db2.gz AAYMIXSEJDTPOV-NSHDSACASA-N 1 1 362.346 0.082 20 5 FCBDMO CCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000369344916 216388113 /nfs/dbraw/zinc/38/81/13/216388113.db2.gz ROUUPOBHNRHQMG-LBPRGKRZSA-N 1 1 366.422 0.017 20 5 FCBDMO C[C@H](O)C[NH+]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000189685325 209257487 /nfs/dbraw/zinc/25/74/87/209257487.db2.gz HLDOVVMWSYPFQF-NSHDSACASA-N 1 1 360.370 0.575 20 5 FCBDMO COCC[N@@H+](C)CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277668649 212386317 /nfs/dbraw/zinc/38/63/17/212386317.db2.gz HHRZHJGVOLLORF-UHFFFAOYSA-N 1 1 350.379 0.849 20 5 FCBDMO C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CCO ZINC000187255819 209208733 /nfs/dbraw/zinc/20/87/33/209208733.db2.gz ARETXZWVCLATQJ-LLVKDONJSA-N 1 1 360.370 0.575 20 5 FCBDMO C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCO ZINC000187255819 209208735 /nfs/dbraw/zinc/20/87/35/209208735.db2.gz ARETXZWVCLATQJ-LLVKDONJSA-N 1 1 360.370 0.575 20 5 FCBDMO COCCOCCOCC[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000276309028 212209543 /nfs/dbraw/zinc/20/95/43/212209543.db2.gz WUVJRMQTFBMPMV-MRXNPFEDSA-N 1 1 372.418 0.946 20 5 FCBDMO COc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000275763636 212086814 /nfs/dbraw/zinc/08/68/14/212086814.db2.gz PYLDDIRTYIOYSE-UHFFFAOYSA-N 1 1 366.374 0.380 20 5 FCBDMO COc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000275763636 212086816 /nfs/dbraw/zinc/08/68/16/212086816.db2.gz PYLDDIRTYIOYSE-UHFFFAOYSA-N 1 1 366.374 0.380 20 5 FCBDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000275731388 212081992 /nfs/dbraw/zinc/08/19/92/212081992.db2.gz XYGFFKBEQVZYAT-NSHDSACASA-N 1 1 359.404 0.602 20 5 FCBDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000275731388 212081994 /nfs/dbraw/zinc/08/19/94/212081994.db2.gz XYGFFKBEQVZYAT-NSHDSACASA-N 1 1 359.404 0.602 20 5 FCBDMO C[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000275506708 212041170 /nfs/dbraw/zinc/04/11/70/212041170.db2.gz CKNUJBMNLXMDJJ-GFCCVEGCSA-N 1 1 364.402 0.837 20 5 FCBDMO C[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000275506708 212041174 /nfs/dbraw/zinc/04/11/74/212041174.db2.gz CKNUJBMNLXMDJJ-GFCCVEGCSA-N 1 1 364.402 0.837 20 5 FCBDMO C[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000275506710 212040107 /nfs/dbraw/zinc/04/01/07/212040107.db2.gz CKNUJBMNLXMDJJ-LBPRGKRZSA-N 1 1 364.402 0.837 20 5 FCBDMO C[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000275506710 212040110 /nfs/dbraw/zinc/04/01/10/212040110.db2.gz CKNUJBMNLXMDJJ-LBPRGKRZSA-N 1 1 364.402 0.837 20 5 FCBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000373675070 217043623 /nfs/dbraw/zinc/04/36/23/217043623.db2.gz RGTSDYFLOLPJPS-NWDGAFQWSA-N 1 1 356.404 0.517 20 5 FCBDMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)O1 ZINC000374566159 217144033 /nfs/dbraw/zinc/14/40/33/217144033.db2.gz MNGVPHDTPVVBEA-HUGQBSPZSA-N 1 1 368.390 0.336 20 5 FCBDMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)O1 ZINC000374566160 217144056 /nfs/dbraw/zinc/14/40/56/217144056.db2.gz 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RYFHNVVFSPUQMT-ZDUSSCGKSA-N 1 1 363.418 0.993 20 5 FCBDMO CCN1CC[NH+](CC(C)(C)NC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000598742364 492116698 /nfs/dbraw/zinc/11/66/98/492116698.db2.gz JLYDZMCRLDPACJ-UHFFFAOYSA-N 1 1 352.439 0.632 20 5 FCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)c(C(F)(F)F)c1 ZINC000599104431 492135731 /nfs/dbraw/zinc/13/57/31/492135731.db2.gz AVBRIXURFPPUEH-MRVPVSSYSA-N 1 1 369.321 0.880 20 5 FCBDMO COc1cc(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1C ZINC000617176266 492158944 /nfs/dbraw/zinc/15/89/44/492158944.db2.gz DOMYOSQSVKQKGU-UHFFFAOYSA-N 1 1 364.402 0.758 20 5 FCBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCN(Cc2cn[nH]c2)CC1 ZINC000599438633 492172673 /nfs/dbraw/zinc/17/26/73/492172673.db2.gz FZBXOKATVXFETD-OAHLLOKOSA-N 1 1 361.402 0.875 20 5 FCBDMO CC(C)(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000608810753 492193359 /nfs/dbraw/zinc/19/33/59/492193359.db2.gz OUGICIYOSNKVLK-CQSZACIVSA-N 1 1 351.407 0.850 20 5 FCBDMO C[C@]1(CO)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000599624808 492194688 /nfs/dbraw/zinc/19/46/88/492194688.db2.gz WTKXTBJRQADGTO-OIISXLGYSA-N 1 1 354.403 0.647 20 5 FCBDMO CNC(=O)c1ccc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000608885307 492195170 /nfs/dbraw/zinc/19/51/70/492195170.db2.gz JYDURUQBGPKZHS-CYBMUJFWSA-N 1 1 363.418 0.954 20 5 FCBDMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609530979 492211902 /nfs/dbraw/zinc/21/19/02/492211902.db2.gz HWDOJTQMPBQQJK-OAHLLOKOSA-N 1 1 372.429 0.971 20 5 FCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000609668061 492217694 /nfs/dbraw/zinc/21/76/94/492217694.db2.gz FAXRMHOYSKNTSE-CYBMUJFWSA-N 1 1 351.407 0.070 20 5 FCBDMO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000610276227 492241241 /nfs/dbraw/zinc/24/12/41/492241241.db2.gz DTDWNFQUUDLVQR-FZMZJTMJSA-N 1 1 370.431 0.278 20 5 FCBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000600311473 492259054 /nfs/dbraw/zinc/25/90/54/492259054.db2.gz BJQQVMLXVGMOPE-LLVKDONJSA-N 1 1 370.431 0.704 20 5 FCBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000610705396 492259450 /nfs/dbraw/zinc/25/94/50/492259450.db2.gz UKFAGBINTMGGKE-UHFFFAOYSA-N 1 1 350.375 0.206 20 5 FCBDMO C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1C[N@H+](C)CCO1 ZINC000610901179 492267811 /nfs/dbraw/zinc/26/78/11/492267811.db2.gz QEAQKSXMTWXCFT-BONVTDFDSA-N 1 1 351.359 0.815 20 5 FCBDMO C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1C[N@@H+](C)CCO1 ZINC000610901179 492267813 /nfs/dbraw/zinc/26/78/13/492267813.db2.gz QEAQKSXMTWXCFT-BONVTDFDSA-N 1 1 351.359 0.815 20 5 FCBDMO C[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000610900852 492267830 /nfs/dbraw/zinc/26/78/30/492267830.db2.gz NDYIPFZTZZYWKG-WFASDCNBSA-N 1 1 364.402 0.550 20 5 FCBDMO C[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610900852 492267831 /nfs/dbraw/zinc/26/78/31/492267831.db2.gz NDYIPFZTZZYWKG-WFASDCNBSA-N 1 1 364.402 0.550 20 5 FCBDMO C[C@@H](NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000610901026 492267933 /nfs/dbraw/zinc/26/79/33/492267933.db2.gz WTJIGCYVJMNIQW-XUJVJEKNSA-N 1 1 364.402 0.548 20 5 FCBDMO C[C@@H](NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610901026 492267935 /nfs/dbraw/zinc/26/79/35/492267935.db2.gz WTJIGCYVJMNIQW-XUJVJEKNSA-N 1 1 364.402 0.548 20 5 FCBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000444389280 535949547 /nfs/dbraw/zinc/94/95/47/535949547.db2.gz IHXWESNTDRBCHS-YPMHNXCESA-N 1 1 368.438 0.352 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000444921675 536886972 /nfs/dbraw/zinc/88/69/72/536886972.db2.gz NZGBFDHPRQUFTC-MRXNPFEDSA-N 1 1 368.390 0.808 20 5 FCBDMO Cn1ccnc1[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000552040798 546538022 /nfs/dbraw/zinc/53/80/22/546538022.db2.gz ZRKSFUCYNHOUTJ-AWEZNQCLSA-N 1 1 367.431 0.947 20 5 FCBDMO Cn1ccnc1[C@H]([NH2+]CCCNS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000552040799 546538416 /nfs/dbraw/zinc/53/84/16/546538416.db2.gz ZRKSFUCYNHOUTJ-CQSZACIVSA-N 1 1 367.431 0.947 20 5 FCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000547275982 546903898 /nfs/dbraw/zinc/90/38/98/546903898.db2.gz RSQWJRCKXBAKFW-MRXNPFEDSA-N 1 1 351.359 0.091 20 5 FCBDMO CCOC(=O)c1sc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)nc1C ZINC000591749262 546939980 /nfs/dbraw/zinc/93/99/80/546939980.db2.gz KRYOUQGGZPLTQI-LLVKDONJSA-N 1 1 369.403 0.884 20 5 FCBDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000592389620 546949387 /nfs/dbraw/zinc/94/93/87/546949387.db2.gz ZIGGVKKUGHFQRZ-AWEZNQCLSA-N 1 1 371.415 0.304 20 5 FCBDMO COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000420420535 547340611 /nfs/dbraw/zinc/34/06/11/547340611.db2.gz NXODIYRBAUVMOW-UWVGGRQHSA-N 1 1 357.388 0.752 20 5 FCBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)n1 ZINC000823647604 606186771 /nfs/dbraw/zinc/18/67/71/606186771.db2.gz MZSRRDBKGCZDEM-UHFFFAOYSA-N 1 1 370.377 0.189 20 5 FCBDMO O=C(N[C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000974116275 664223347 /nfs/dbraw/zinc/22/33/47/664223347.db2.gz ZRPAQHBASVDRAZ-XJFOESAGSA-N 1 1 350.419 0.291 20 5 FCBDMO O=C(C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1)N1CCCC1 ZINC000981764638 664838848 /nfs/dbraw/zinc/83/88/48/664838848.db2.gz WLJLJDOCWYKDNC-ZIAGYGMSSA-N 1 1 350.419 0.198 20 5 FCBDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000896242562 665077337 /nfs/dbraw/zinc/07/73/37/665077337.db2.gz UZKODAHHAILZQP-UHFFFAOYSA-N 1 1 367.431 0.782 20 5 FCBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905877276 666042134 /nfs/dbraw/zinc/04/21/34/666042134.db2.gz PSHSKZJEDBXBTE-PBHICJAKSA-N 1 1 351.403 0.619 20 5 FCBDMO NC(=O)C[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000735842017 667053470 /nfs/dbraw/zinc/05/34/70/667053470.db2.gz DTLTZQRRSRSWOE-UHFFFAOYSA-N 1 1 354.794 0.857 20 5 FCBDMO NC(=O)C[NH+]1CCC(NC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000918689079 667130926 /nfs/dbraw/zinc/13/09/26/667130926.db2.gz NMMAUAWBZRKCLS-UHFFFAOYSA-N 1 1 350.375 0.430 20 5 FCBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000920018492 667219699 /nfs/dbraw/zinc/21/96/99/667219699.db2.gz GTKYZBZMQZDZGU-JSGCOSHPSA-N 1 1 356.448 0.816 20 5 FCBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000920018492 667219702 /nfs/dbraw/zinc/21/97/02/667219702.db2.gz GTKYZBZMQZDZGU-JSGCOSHPSA-N 1 1 356.448 0.816 20 5 FCBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000920018501 667219732 /nfs/dbraw/zinc/21/97/32/667219732.db2.gz GTKYZBZMQZDZGU-TZMCWYRMSA-N 1 1 356.448 0.816 20 5 FCBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000920018501 667219733 /nfs/dbraw/zinc/21/97/33/667219733.db2.gz GTKYZBZMQZDZGU-TZMCWYRMSA-N 1 1 356.448 0.816 20 5 FCBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000920661758 667253059 /nfs/dbraw/zinc/25/30/59/667253059.db2.gz GOTMSFMTJYGMLE-NSHDSACASA-N 1 1 353.379 0.346 20 5 FCBDMO Cc1noc(CCC[NH+]2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001001398908 667493477 /nfs/dbraw/zinc/49/34/77/667493477.db2.gz GIFZLIBKUYHKPX-ZIAGYGMSSA-N 1 1 351.407 0.804 20 5 FCBDMO CCCn1nnnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001034644606 667761917 /nfs/dbraw/zinc/76/19/17/667761917.db2.gz JCSNHZWEZUIFBH-FDYHWXHSSA-N 1 1 351.411 0.265 20 5 FCBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923434493 667835395 /nfs/dbraw/zinc/83/53/95/667835395.db2.gz QJBCPUSFUCCXBK-GFCCVEGCSA-N 1 1 354.432 0.575 20 5 FCBDMO C[C@@H]1CN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000742197108 668028363 /nfs/dbraw/zinc/02/83/63/668028363.db2.gz UMCFABATGSKMRL-SNVBAGLBSA-N 1 1 352.416 0.948 20 5 FCBDMO C[C@@H]1CN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000742197108 668028364 /nfs/dbraw/zinc/02/83/64/668028364.db2.gz UMCFABATGSKMRL-SNVBAGLBSA-N 1 1 352.416 0.948 20 5 FCBDMO CN(C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1)S(C)(=O)=O ZINC000776589033 668275103 /nfs/dbraw/zinc/27/51/03/668275103.db2.gz YYFFNRBTBJJOAV-HNNXBMFYSA-N 1 1 357.432 0.984 20 5 FCBDMO NS(=O)(=O)c1c(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000785797687 668732398 /nfs/dbraw/zinc/73/23/98/668732398.db2.gz CALKYNXLBNXZGN-QWRGUYRKSA-N 1 1 356.404 0.517 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000840499199 669473716 /nfs/dbraw/zinc/47/37/16/669473716.db2.gz ODXABJZGYXKVAR-OCCSQVGLSA-N 1 1 351.359 0.191 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000840499199 669473718 /nfs/dbraw/zinc/47/37/18/669473718.db2.gz ODXABJZGYXKVAR-OCCSQVGLSA-N 1 1 351.359 0.191 20 5 FCBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810073169 669661563 /nfs/dbraw/zinc/66/15/63/669661563.db2.gz PRZIHVVUOCDNOJ-ZDUSSCGKSA-N 1 1 355.395 0.703 20 5 FCBDMO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000829736722 669721249 /nfs/dbraw/zinc/72/12/49/669721249.db2.gz VUWKPKNBMGYFEF-GFCCVEGCSA-N 1 1 373.406 0.925 20 5 FCBDMO O=C(C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000831733208 669864461 /nfs/dbraw/zinc/86/44/61/669864461.db2.gz IZCYBRVZRROIID-DTORHVGOSA-N 1 1 352.734 0.391 20 5 FCBDMO O=C(C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000831733208 669864465 /nfs/dbraw/zinc/86/44/65/669864465.db2.gz IZCYBRVZRROIID-DTORHVGOSA-N 1 1 352.734 0.391 20 5 FCBDMO C[N@H+]1CCN(CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000831778940 669867542 /nfs/dbraw/zinc/86/75/42/669867542.db2.gz YHXXMXXGPNDCAX-HNNXBMFYSA-N 1 1 350.419 0.770 20 5 FCBDMO CN(C)c1cc(F)c(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000844002166 670878581 /nfs/dbraw/zinc/87/85/81/670878581.db2.gz LQXAPDXZPWUXNU-LLVKDONJSA-N 1 1 352.366 0.691 20 5 FCBDMO CN(C)c1cc(F)c(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000844002166 670878590 /nfs/dbraw/zinc/87/85/90/670878590.db2.gz LQXAPDXZPWUXNU-LLVKDONJSA-N 1 1 352.366 0.691 20 5 FCBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000967952020 675166391 /nfs/dbraw/zinc/16/63/91/675166391.db2.gz XVHZPHSBZKVQDP-HUUCEWRRSA-N 1 1 352.435 0.443 20 5 FCBDMO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000858866861 671780187 /nfs/dbraw/zinc/78/01/87/671780187.db2.gz IMPGNNTYJNQWQJ-LBPRGKRZSA-N 1 1 374.419 0.255 20 5 FCBDMO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+]1CC[C@H](O)C1 ZINC000858866861 671780189 /nfs/dbraw/zinc/78/01/89/671780189.db2.gz IMPGNNTYJNQWQJ-LBPRGKRZSA-N 1 1 374.419 0.255 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000859283455 671808900 /nfs/dbraw/zinc/80/89/00/671808900.db2.gz WLSJNPGJYGZVFE-JTQLQIEISA-N 1 1 362.433 0.274 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000859283455 671808902 /nfs/dbraw/zinc/80/89/02/671808902.db2.gz WLSJNPGJYGZVFE-JTQLQIEISA-N 1 1 362.433 0.274 20 5 FCBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000862121629 672028889 /nfs/dbraw/zinc/02/88/89/672028889.db2.gz ZHBOMDVMEUUHAV-SNVBAGLBSA-N 1 1 354.338 0.164 20 5 FCBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000862205147 672038016 /nfs/dbraw/zinc/03/80/16/672038016.db2.gz AEAPXKPZSXPVMA-JTQLQIEISA-N 1 1 356.766 0.370 20 5 FCBDMO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863319850 672113415 /nfs/dbraw/zinc/11/34/15/672113415.db2.gz RXKWZZLKWQBRBA-CYBMUJFWSA-N 1 1 352.347 0.618 20 5 FCBDMO CC(C)(C)CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055574993 676024752 /nfs/dbraw/zinc/02/47/52/676024752.db2.gz HOYVKXDSRAZQHV-ZIAGYGMSSA-N 1 1 354.451 0.785 20 5 FCBDMO O=C(C=C1CCC1)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055574883 676024772 /nfs/dbraw/zinc/02/47/72/676024772.db2.gz BTIVEFUPFIVEND-HUUCEWRRSA-N 1 1 350.419 0.459 20 5 FCBDMO O=C(CCC(F)F)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575584 676024954 /nfs/dbraw/zinc/02/49/54/676024954.db2.gz YTTUOURTRQEDIZ-VXGBXAGGSA-N 1 1 362.377 0.394 20 5 FCBDMO CC(C)(C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)[NH+]1CCCCC1 ZINC001011115113 675373557 /nfs/dbraw/zinc/37/35/57/675373557.db2.gz UFDMFHVQTJYOFQ-ZIAGYGMSSA-N 1 1 352.435 0.587 20 5 FCBDMO CS(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001020139973 675435641 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360.414 0.698 20 5 FCBDMO Cn1c(=O)oc2ccc(C[NH2+][C@H]3C[C@H](NC(=O)[C@@H]4CC4[N+](=O)[O-])C3)cc21 ZINC001020139576 1214314405 /nfs/dbraw/zinc/31/44/05/1214314405.db2.gz GKYBREPRDZUQHR-FDYHWXHSSA-N 1 1 360.370 0.534 20 5 FCBDMO Cn1nnc2cc(C[N@@H+]3CC=C(CNC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)ccc21 ZINC001000672239 1216100429 /nfs/dbraw/zinc/10/04/29/1216100429.db2.gz WQJXEAHOQXQPBO-RHSMWYFYSA-N 1 1 370.413 0.882 20 5 FCBDMO Cn1nnc2cc(C[N@H+]3CC=C(CNC(=O)[C@@H]4CC4[N+](=O)[O-])CC3)ccc21 ZINC001000672239 1216100430 /nfs/dbraw/zinc/10/04/30/1216100430.db2.gz WQJXEAHOQXQPBO-RHSMWYFYSA-N 1 1 370.413 0.882 20 5 FCBDMO Cn1nnc2cc(C[N@@H+]3CC=C(CNC(=O)[C@@H]4CC4[N+](=O)[O-])CC3)ccc21 ZINC001000672239 1216100432 /nfs/dbraw/zinc/10/04/32/1216100432.db2.gz WQJXEAHOQXQPBO-RHSMWYFYSA-N 1 1 370.413 0.882 20 5 FCBDMO NC(=O)c1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC001001395041 1216186663 /nfs/dbraw/zinc/18/66/63/1216186663.db2.gz IRRPMFSQFMYWRY-HZPDHXFCSA-N 1 1 360.414 0.779 20 5 FCBDMO 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Cn1cc(CC[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC[C@@H]3C2)cn1 ZINC000946589075 1247904448 /nfs/dbraw/zinc/90/44/48/1247904448.db2.gz DZXYPLGLUHOMDK-YYIAUSFCSA-N 1 1 361.446 0.798 20 5 FCBDMO CC(C)Cn1c(CCC[N+](=O)[O-])nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001517463050 1265607050 /nfs/dbraw/zinc/60/70/50/1265607050.db2.gz ZFJTUOWLSKXXIP-CQSZACIVSA-N 1 1 352.439 0.664 20 5 FCBDMO CC(C)Cn1c(CCC[N+](=O)[O-])nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001517463050 1265607065 /nfs/dbraw/zinc/60/70/65/1265607065.db2.gz ZFJTUOWLSKXXIP-CQSZACIVSA-N 1 1 352.439 0.664 20 5 FCBDMO O=C(NCC1CN(C(=O)c2ccc(-n3ccnc3)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001796348 1252345085 /nfs/dbraw/zinc/34/50/85/1252345085.db2.gz PTRCYVZOMZOZRT-HZPDHXFCSA-N 1 1 369.381 0.726 20 5 FCBDMO C[NH+](C)Cc1ccccc1C(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001002479437 1252569548 /nfs/dbraw/zinc/56/95/48/1252569548.db2.gz TXPOGOOSGFJBDN-HZPDHXFCSA-N 1 1 360.414 0.602 20 5 FCBDMO NC(=O)c1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001034643988 1253997728 /nfs/dbraw/zinc/99/77/28/1253997728.db2.gz WXLJQVOFJMEFEO-KLHDSHLOSA-N 1 1 360.414 0.968 20 5 FCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@@H+](CCN3CCCC3=O)C2)CC1 ZINC001035186958 1254020522 /nfs/dbraw/zinc/02/05/22/1254020522.db2.gz NLQVTDYABFLAEQ-HUUCEWRRSA-N 1 1 364.446 0.589 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC[N@H+](CCN3CCCC3=O)C2)CC1 ZINC001035186958 1254020528 /nfs/dbraw/zinc/02/05/28/1254020528.db2.gz NLQVTDYABFLAEQ-HUUCEWRRSA-N 1 1 364.446 0.589 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC[N@@H+](CCN3CCCC3=O)C2)CC1 ZINC001035186958 1254020536 /nfs/dbraw/zinc/02/05/36/1254020536.db2.gz NLQVTDYABFLAEQ-HUUCEWRRSA-N 1 1 364.446 0.589 20 5 FCBDMO Cn1nccc1CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035187197 1254020752 /nfs/dbraw/zinc/02/07/52/1254020752.db2.gz POWWCOIQOQANHC-HZPDHXFCSA-N 1 1 361.446 0.942 20 5 FCBDMO Cn1nccc1CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001035187197 1254020764 /nfs/dbraw/zinc/02/07/64/1254020764.db2.gz POWWCOIQOQANHC-HZPDHXFCSA-N 1 1 361.446 0.942 20 5 FCBDMO Cn1nccc1CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001035187197 1254020773 /nfs/dbraw/zinc/02/07/73/1254020773.db2.gz POWWCOIQOQANHC-HZPDHXFCSA-N 1 1 361.446 0.942 20 5 FCBDMO CCC[N@@H+](C)CCC(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001061006516 1254148971 /nfs/dbraw/zinc/14/89/71/1254148971.db2.gz ZDVZECQFBHVAHG-HUUCEWRRSA-N 1 1 366.462 0.835 20 5 FCBDMO CCC[N@H+](C)CCC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001061006516 1254148988 /nfs/dbraw/zinc/14/89/88/1254148988.db2.gz ZDVZECQFBHVAHG-HUUCEWRRSA-N 1 1 366.462 0.835 20 5 FCBDMO CCC[N@@H+](C)CCC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001061006516 1254149010 /nfs/dbraw/zinc/14/90/10/1254149010.db2.gz ZDVZECQFBHVAHG-HUUCEWRRSA-N 1 1 366.462 0.835 20 5 FCBDMO CC(C)[NH+]1CCC(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)CC1 ZINC001064346546 1254421239 /nfs/dbraw/zinc/42/12/39/1254421239.db2.gz GQLKKIQRDVUIBA-HUUCEWRRSA-N 1 1 366.462 0.927 20 5 FCBDMO C[NH+]1CCN(C(=O)CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC001520822864 1266010683 /nfs/dbraw/zinc/01/06/83/1266010683.db2.gz ANZKMTKFPBLBNO-UHFFFAOYSA-N 1 1 366.393 0.902 20 5 FCBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001257240817 1260003986 /nfs/dbraw/zinc/00/39/86/1260003986.db2.gz DVSZOSQYNMNBQM-CVEARBPZSA-N 1 1 360.414 0.997 20 5 FCBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001345117981 1261637027 /nfs/dbraw/zinc/63/70/27/1261637027.db2.gz PDDHPJOWPDBXJS-AWEZNQCLSA-N 1 1 360.414 0.854 20 5 FCBDMO COc1ccc2ncc([N+](=O)[O-])c(NCC(=O)N3CC[NH+](C)CC3)c2c1 ZINC001306942241 1263192563 /nfs/dbraw/zinc/19/25/63/1263192563.db2.gz QPZCGVOVUDFVEJ-UHFFFAOYSA-N 1 1 359.386 0.759 20 5 FCBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@H](O)CC3(O)CCOCC3)C2)nc1 ZINC001307546412 1263198971 /nfs/dbraw/zinc/19/89/71/1263198971.db2.gz VNPCNZVGWOTKOC-DZGCQCFKSA-N 1 1 366.418 0.769 20 5 FCBDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001323245659 1264376399 /nfs/dbraw/zinc/37/63/99/1264376399.db2.gz IQWLHTMJWPLALE-AWEZNQCLSA-N 1 1 362.386 0.274 20 5 FCBDMO NC(=O)COC1CC[NH+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC001323607309 1264466282 /nfs/dbraw/zinc/46/62/82/1264466282.db2.gz JEFTXSCFMXKMBJ-UHFFFAOYSA-N 1 1 360.374 0.777 20 5 FCBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001324281572 1264610777 /nfs/dbraw/zinc/61/07/77/1264610777.db2.gz VTDFJTMXXWLXNT-OLZOCXBDSA-N 1 1 366.422 0.144 20 5 FCBDMO C[C@H]1C[C@H](NC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC001324522086 1264663738 /nfs/dbraw/zinc/66/37/38/1264663738.db2.gz LHFRGNHEOHNSGI-JSGCOSHPSA-N 1 1 360.414 0.995 20 5 FCBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)[C@@H]2C1 ZINC001325927085 1265024562 /nfs/dbraw/zinc/02/45/62/1265024562.db2.gz PAZYKVLRHFXTOH-XJKSGUPXSA-N 1 1 358.398 0.990 20 5 FCBDMO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001327436111 1265321249 /nfs/dbraw/zinc/32/12/49/1265321249.db2.gz ILIATRRDBBGQGZ-HUUCEWRRSA-N 1 1 362.386 0.190 20 5 FCBDMO CN(C)c1[nH+]cc(CNC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)n1C ZINC001341971753 1269286379 /nfs/dbraw/zinc/28/63/79/1269286379.db2.gz RVOIWDKGFYLVFY-UHFFFAOYSA-N 1 1 374.401 0.369 20 5 FCBDMO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001344031613 1270079433 /nfs/dbraw/zinc/07/94/33/1270079433.db2.gz LZKNBXFOWGIYBJ-KBPBESRZSA-N 1 1 372.385 0.457 20 5 FCBDMO CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001589764041 1282988337 /nfs/dbraw/zinc/98/83/37/1282988337.db2.gz PFDWDPQTMILIOQ-SECBINFHSA-N 1 1 369.407 0.427 20 5 FCBDMO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC001589915194 1283125091 /nfs/dbraw/zinc/12/50/91/1283125091.db2.gz ZMAHOBWQKMLOTB-IUCAKERBSA-N 1 1 367.391 0.133 20 5 FCBDMO C[N@H+](Cc1cc(-c2nn[nH]n2)cs1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001604801128 1287785149 /nfs/dbraw/zinc/78/51/49/1287785149.db2.gz JUGGCXFZRSYJMX-NSHDSACASA-N 1 1 364.391 0.526 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])C1 ZINC001592720569 1285621033 /nfs/dbraw/zinc/62/10/33/1285621033.db2.gz NCNZAQBXGHRLGL-GFCCVEGCSA-N 1 1 374.405 0.774 20 5 FCBDMO NC(=O)C[NH+]1CCC(Nc2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001592728117 1285638065 /nfs/dbraw/zinc/63/80/65/1285638065.db2.gz POLZPJBVHSLBQL-UHFFFAOYSA-N 1 1 364.341 0.276 20 5 FCBDMO Nc1[nH+]c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)ccc1-c1nn[nH]n1 ZINC001592763045 1285684431 /nfs/dbraw/zinc/68/44/31/1285684431.db2.gz IQGSTXZVADAVBT-UHFFFAOYSA-N 1 1 368.361 0.474 20 5 FCBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001609275925 1289040887 /nfs/dbraw/zinc/04/08/87/1289040887.db2.gz VMBWHZALGLBCCR-UHFFFAOYSA-N 1 1 362.394 0.717 20 5 FCBDMO CN(CC[N@H+]1CCOC(C)(C)C1)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001609275925 1289040888 /nfs/dbraw/zinc/04/08/88/1289040888.db2.gz VMBWHZALGLBCCR-UHFFFAOYSA-N 1 1 362.394 0.717 20 5 FCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001593193538 1286036398 /nfs/dbraw/zinc/03/63/98/1286036398.db2.gz DCLLQXDAMITCQA-QMIVOQANSA-N 1 1 369.385 0.078 20 5 FCBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001593193538 1286036402 /nfs/dbraw/zinc/03/64/02/1286036402.db2.gz DCLLQXDAMITCQA-QMIVOQANSA-N 1 1 369.385 0.078 20 5 FCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001593193538 1286036405 /nfs/dbraw/zinc/03/64/05/1286036405.db2.gz DCLLQXDAMITCQA-QMIVOQANSA-N 1 1 369.385 0.078 20 5 FCBDMO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001593405743 1286128131 /nfs/dbraw/zinc/12/81/31/1286128131.db2.gz MXFQSMQOQOPLSV-CYBMUJFWSA-N 1 1 373.373 0.160 20 5 FCBDMO CNC(=O)C[NH+]1CCC(Nc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001609288201 1289053219 /nfs/dbraw/zinc/05/32/19/1289053219.db2.gz BYMQIYWOFLBYPZ-UHFFFAOYSA-N 1 1 360.378 0.397 20 5 FCBDMO O=C1OCCN1[C@@H]1CC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001593415339 1286139268 /nfs/dbraw/zinc/13/92/68/1286139268.db2.gz XXOMUCITKKZPDU-SNVBAGLBSA-N 1 1 359.346 0.801 20 5 FCBDMO O=[N+]([O-])c1sc(-c2nn[nH]n2)cc1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001593487210 1286175954 /nfs/dbraw/zinc/17/59/54/1286175954.db2.gz FPGQVFADOXTAQN-NXEZZACHSA-N 1 1 365.419 0.872 20 5 FCBDMO O=[N+]([O-])c1sc(-c2nn[nH]n2)cc1N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001593487210 1286175957 /nfs/dbraw/zinc/17/59/57/1286175957.db2.gz FPGQVFADOXTAQN-NXEZZACHSA-N 1 1 365.419 0.872 20 5 FCBDMO C[NH2+]C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC001609289801 1289058404 /nfs/dbraw/zinc/05/84/04/1289058404.db2.gz UEUQJDOMDRPVGG-UHFFFAOYSA-N 1 1 367.391 0.147 20 5 FCBDMO COC(=O)[C@@H]1CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC001609297265 1289067218 /nfs/dbraw/zinc/06/72/18/1289067218.db2.gz JGKBYDJSTZLRMU-NSHDSACASA-N 1 1 361.362 0.316 20 5 FCBDMO C[N@H+]1CCCN(CCCNc2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001604861659 1287802142 /nfs/dbraw/zinc/80/21/42/1287802142.db2.gz MJIGPRWDSUUURB-UHFFFAOYSA-N 1 1 361.410 0.609 20 5 FCBDMO CN1CCC[N@H+](CCCNc2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001604861659 1287802144 /nfs/dbraw/zinc/80/21/44/1287802144.db2.gz MJIGPRWDSUUURB-UHFFFAOYSA-N 1 1 361.410 0.609 20 5 FCBDMO CN1CCC[N@@H+](CCCNc2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001604861659 1287802149 /nfs/dbraw/zinc/80/21/49/1287802149.db2.gz MJIGPRWDSUUURB-UHFFFAOYSA-N 1 1 361.410 0.609 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001606992910 1288583266 /nfs/dbraw/zinc/58/32/66/1288583266.db2.gz GMSWWDPIKNZPKY-HUUCEWRRSA-N 1 1 371.401 0.613 20 5 FCBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001607083451 1288652325 /nfs/dbraw/zinc/65/23/25/1288652325.db2.gz GURXNVJXDACJAV-GFCCVEGCSA-N 1 1 359.390 0.810 20 5 FCBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(-c2nn[nH]n2)c1 ZINC001607086010 1288653229 /nfs/dbraw/zinc/65/32/29/1288653229.db2.gz HCTCBCNFWDAVCT-CHWSQXEVSA-N 1 1 360.378 0.205 20 5 FCBDMO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1CC(C)(C)O ZINC001609175891 1288969266 /nfs/dbraw/zinc/96/92/66/1288969266.db2.gz AWPREBXWTCEAQO-JTQLQIEISA-N 1 1 362.394 0.451 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001609502014 1289183870 /nfs/dbraw/zinc/18/38/70/1289183870.db2.gz DKYPKZDLNSJSFU-NSHDSACASA-N 1 1 374.405 0.774 20 5 FCBDMO Cn1cc(C[NH2+]CCc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)nn1 ZINC001690795583 1294883720 /nfs/dbraw/zinc/88/37/20/1294883720.db2.gz ZFZJMMGWJLOHLO-HZPDHXFCSA-N 1 1 358.402 0.429 20 5 FCBDMO CCOC(=O)c1nc(Cl)nc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1[N+](=O)[O-] ZINC001164669071 719373164 /nfs/dbraw/zinc/37/31/64/719373164.db2.gz PPTJXRIBFFHSFE-BDAKNGLRSA-N 1 1 371.781 0.734 20 5 FCBDMO COc1ncnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164737825 720695298 /nfs/dbraw/zinc/69/52/98/720695298.db2.gz HFWGBYXBWWZHEF-NEPJUHHUSA-N 1 1 373.373 0.525 20 5 FCBDMO Nc1nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164741437 720718530 /nfs/dbraw/zinc/71/85/30/720718530.db2.gz TUMXVNVCQFBLRG-VXGBXAGGSA-N 1 1 357.374 0.704 20 5 FCBDMO COCC[N@H+]1CCO[C@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)CC[C@@H]2C1 ZINC001164862142 720861578 /nfs/dbraw/zinc/86/15/78/720861578.db2.gz ZCZQRVGTUHTRPA-DOMZBBRYSA-N 1 1 351.407 0.746 20 5 FCBDMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c(N)n3)CC[C@@H]2C1 ZINC001164858896 720862666 /nfs/dbraw/zinc/86/26/66/720862666.db2.gz SFJCOAXZIKKAJJ-TZMCWYRMSA-N 1 1 351.407 0.746 20 5 FCBDMO COc1nc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc(OC)c1[N+](=O)[O-] ZINC001165038505 721909385 /nfs/dbraw/zinc/90/93/85/721909385.db2.gz LTHCZALZTKKTPR-LLVKDONJSA-N 1 1 353.379 0.703 20 5 FCBDMO CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CC1CC[NH+](C)CC1 ZINC001067389556 837455650 /nfs/dbraw/zinc/45/56/50/837455650.db2.gz DLMYMEPAPBKWLM-HUUCEWRRSA-N 1 1 354.451 0.690 20 5 FCBDMO COc1coc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1=O ZINC001086084198 842119528 /nfs/dbraw/zinc/11/95/28/842119528.db2.gz HPYBGLULXIENTB-LYIQGSDWSA-N 1 1 351.359 0.298 20 5 FCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@@H+](CCO)CC2CC(F)(F)C2)CC1 ZINC001098365317 843910199 /nfs/dbraw/zinc/91/01/99/843910199.db2.gz KEAHCNCDFCQUKT-ZIAGYGMSSA-N 1 1 361.389 0.982 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@H+](CCO)CC2CC(F)(F)C2)CC1 ZINC001098365317 843910201 /nfs/dbraw/zinc/91/02/01/843910201.db2.gz KEAHCNCDFCQUKT-ZIAGYGMSSA-N 1 1 361.389 0.982 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@@H+](CCO)CC2CC(F)(F)C2)CC1 ZINC001098365317 843910204 /nfs/dbraw/zinc/91/02/04/843910204.db2.gz KEAHCNCDFCQUKT-ZIAGYGMSSA-N 1 1 361.389 0.982 20 5 FCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@@H+](CCO)CCOC2CCC2)CC1 ZINC001098364728 843910505 /nfs/dbraw/zinc/91/05/05/843910505.db2.gz BAVWVFLEJZOTOP-HZPDHXFCSA-N 1 1 355.435 0.506 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@H+](CCO)CCOC2CCC2)CC1 ZINC001098364728 843910512 /nfs/dbraw/zinc/91/05/12/843910512.db2.gz BAVWVFLEJZOTOP-HZPDHXFCSA-N 1 1 355.435 0.506 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@@H+](CCO)CCOC2CCC2)CC1 ZINC001098364728 843910519 /nfs/dbraw/zinc/91/05/19/843910519.db2.gz BAVWVFLEJZOTOP-HZPDHXFCSA-N 1 1 355.435 0.506 20 5 FCBDMO CC(C)CNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001121087558 848316362 /nfs/dbraw/zinc/31/63/62/848316362.db2.gz NDWVIYQAQMTCMB-FZOOGMQUSA-N 1 1 352.435 0.441 20 5 FCBDMO Cn1c(-c2ccc([N+](=O)[O-])s2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001121358946 848343091 /nfs/dbraw/zinc/34/30/91/848343091.db2.gz AZRJSAJAPUWXEP-JTQLQIEISA-N 1 1 350.404 0.973 20 5 FCBDMO Cn1c(-c2ccc([N+](=O)[O-])s2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001121358946 848343097 /nfs/dbraw/zinc/34/30/97/848343097.db2.gz AZRJSAJAPUWXEP-JTQLQIEISA-N 1 1 350.404 0.973 20 5 FCBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1cc(F)ccc1F ZINC001157775658 849994449 /nfs/dbraw/zinc/99/44/49/849994449.db2.gz UYNMGRMNNIUYLV-ZWNOBZJWSA-N 1 1 356.329 0.664 20 5 FCBDMO CC(C)(C)NC(=O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160096919 850153792 /nfs/dbraw/zinc/15/37/92/850153792.db2.gz AQVNQMGZWFGFBQ-ZIAGYGMSSA-N 1 1 352.435 0.705 20 5 FCBDMO CC(C)(C)NC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160096919 850153800 /nfs/dbraw/zinc/15/38/00/850153800.db2.gz AQVNQMGZWFGFBQ-ZIAGYGMSSA-N 1 1 352.435 0.705 20 5 FCBDMO O=c1cc(CNc2c(Cl)cncc2[N+](=O)[O-])nc2n1CCC[NH2+]C2 ZINC001163117676 850355619 /nfs/dbraw/zinc/35/56/19/850355619.db2.gz AFGOXDMLDVATJZ-UHFFFAOYSA-N 1 1 350.766 0.727 20 5 FCBDMO CCS(=O)(=O)CCC[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164494422 850414049 /nfs/dbraw/zinc/41/40/49/850414049.db2.gz JFDKMSFZTWBTHD-CHWSQXEVSA-N 1 1 361.464 0.353 20 5 FCBDMO CN(CC1CC1)C(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164491033 850414228 /nfs/dbraw/zinc/41/42/28/850414228.db2.gz XYUYDXOMMNLDDZ-ZIAGYGMSSA-N 1 1 352.435 0.396 20 5 FCBDMO NC(=O)[C@@H]1CN(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])CC[NH2+]1 ZINC001166725271 850498849 /nfs/dbraw/zinc/49/88/49/850498849.db2.gz ZZRWGLJTYJFDOY-BYPYZUCNSA-N 1 1 354.676 0.321 20 5 FCBDMO CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169023464 850601978 /nfs/dbraw/zinc/60/19/78/850601978.db2.gz ULVLAVQUZIMSCT-PNBKFKSVSA-N 1 1 355.435 0.818 20 5 FCBDMO CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169020169 850602362 /nfs/dbraw/zinc/60/23/62/850602362.db2.gz KBVPHRRVMCQBRZ-RUCLQGLUSA-N 1 1 355.435 0.768 20 5 FCBDMO O=C(NCCCCCC[NH2+]Cc1ncnn1CCF)[C@@H]1CC1[N+](=O)[O-] ZINC001178458789 850900964 /nfs/dbraw/zinc/90/09/64/850900964.db2.gz YGZCQLJKASBZOS-CHWSQXEVSA-N 1 1 356.402 0.679 20 5 FCBDMO CC(C)NC(=O)NCC[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205229425 853601039 /nfs/dbraw/zinc/60/10/39/853601039.db2.gz BOTUCHLRIHUIRL-ZIAGYGMSSA-N 1 1 355.439 0.187 20 5 FCBDMO O=C(C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NCC(F)(F)F ZINC001205224051 853601320 /nfs/dbraw/zinc/60/13/20/853601320.db2.gz KPFBAIUBCICEOJ-GHMZBOCLSA-N 1 1 366.340 0.158 20 5 FCBDMO O=C(C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)Nc1ccon1 ZINC001205230901 853601852 /nfs/dbraw/zinc/60/18/52/853601852.db2.gz XSODXXYKHHYNGP-VXGBXAGGSA-N 1 1 351.363 0.107 20 5 FCBDMO C[NH+]1CCN(C(=O)CO[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)CC1 ZINC001222543994 856851193 /nfs/dbraw/zinc/85/11/93/856851193.db2.gz XOAZWMMXXWGNSC-HNNXBMFYSA-N 1 1 351.359 0.524 20 5 FCBDMO COc1cc(N2CCC([N@H+]3C[C@H](O)[C@H](CO)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093093 858052997 /nfs/dbraw/zinc/05/29/97/858052997.db2.gz GIVIMBAJDACOMM-LRDDRELGSA-N 1 1 351.403 0.857 20 5 FCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)n1 ZINC001307227299 866651718 /nfs/dbraw/zinc/65/17/18/866651718.db2.gz FIZJPWJBTBZULC-STQMWFEESA-N 1 1 350.375 0.812 20 5 FCBDMO COCCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001355663683 867832116 /nfs/dbraw/zinc/83/21/16/867832116.db2.gz SSOZCSRWGUQTNO-OLZOCXBDSA-N 1 1 354.411 0.173 20 5 FCBDMO Nc1c(C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc(Br)cc1[N+](=O)[O-] ZINC001329568763 872113201 /nfs/dbraw/zinc/11/32/01/872113201.db2.gz PJRGQPDMJCMWMJ-SECBINFHSA-N 1 1 373.207 0.736 20 5 FCBDMO COC(=O)[C@@H]([NH2+]CCCNc1ncc([N+](=O)[O-])cc1C(N)=O)C(C)C ZINC000294976066 214272913 /nfs/dbraw/zinc/27/29/13/214272913.db2.gz OPWBXYLYINRUOY-LBPRGKRZSA-N 1 1 353.379 0.678 20 5 FCBDMO COc1cc(OCC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000295344093 214291746 /nfs/dbraw/zinc/29/17/46/214291746.db2.gz DVDKHUZTDSXMSI-ZDUSSCGKSA-N 1 1 367.402 0.945 20 5 FCBDMO Nc1nc(NCCC[NH+]2CCN(c3ncccn3)CC2)ncc1[N+](=O)[O-] ZINC000301105798 214749449 /nfs/dbraw/zinc/74/94/49/214749449.db2.gz MYINFGHIMRXMCC-UHFFFAOYSA-N 1 1 359.394 0.381 20 5 FCBDMO CNS(=O)(=O)NC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000291167214 214016818 /nfs/dbraw/zinc/01/68/18/214016818.db2.gz MUSSFJNFGNHZSA-CQSZACIVSA-N 1 1 358.420 0.146 20 5 FCBDMO CN(CC(=O)N1CCC[N@@H+](C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000265666365 210192566 /nfs/dbraw/zinc/19/25/66/210192566.db2.gz ZZEFJJHCRMQFPO-UHFFFAOYSA-N 1 1 370.431 0.379 20 5 FCBDMO CNC(=O)c1ccc(N2CC[NH+](C(COC)COC)CC2)c([N+](=O)[O-])c1 ZINC000413475823 529940527 /nfs/dbraw/zinc/94/05/27/529940527.db2.gz OISYKCONPMSMOO-UHFFFAOYSA-N 1 1 366.418 0.738 20 5 FCBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000265378945 210113239 /nfs/dbraw/zinc/11/32/39/210113239.db2.gz QREZHWLSCCTJKP-HIFRSBDPSA-N 1 1 355.416 0.182 20 5 FCBDMO Cc1cc(S(=O)(=O)NCCC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000265260097 210082918 /nfs/dbraw/zinc/08/29/18/210082918.db2.gz YBJKYJVCLYWOSK-UHFFFAOYSA-N 1 1 370.431 0.346 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000265093337 210054289 /nfs/dbraw/zinc/05/42/89/210054289.db2.gz OJFGOKODDBXNKH-UHFFFAOYSA-N 1 1 369.403 0.881 20 5 FCBDMO C[C@@H]1C[C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000332163517 215103337 /nfs/dbraw/zinc/10/33/37/215103337.db2.gz QJPPNLDGNPQIFC-VXGBXAGGSA-N 1 1 362.386 0.919 20 5 FCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000264883029 210007720 /nfs/dbraw/zinc/00/77/20/210007720.db2.gz VABXFCNMXZCAME-LLVKDONJSA-N 1 1 369.809 0.549 20 5 FCBDMO C[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1CC[NH+](C)CC1 ZINC000332420604 215149595 /nfs/dbraw/zinc/14/95/95/215149595.db2.gz WHKWFFSQVLWJCK-CYBMUJFWSA-N 1 1 350.423 0.591 20 5 FCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000245903563 209376636 /nfs/dbraw/zinc/37/66/36/209376636.db2.gz QKGVUDFTXCYDPL-RDJZCZTQSA-N 1 1 373.413 0.933 20 5 FCBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000368335374 216235578 /nfs/dbraw/zinc/23/55/78/216235578.db2.gz YVLAQNSSHFSLJK-HUUCEWRRSA-N 1 1 351.403 0.741 20 5 FCBDMO Cc1cc(=O)c(C(=O)NCC(F)(F)C[NH3+])nn1-c1ccccc1[N+](=O)[O-] ZINC000190251140 209268806 /nfs/dbraw/zinc/26/88/06/209268806.db2.gz BJQYIYDGOCMHJH-UHFFFAOYSA-N 1 1 367.312 0.773 20 5 FCBDMO C[C@H](O)C[NH+]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000189735759 209260373 /nfs/dbraw/zinc/26/03/73/209260373.db2.gz NXHJKCMCKJYMEO-ZDUSSCGKSA-N 1 1 359.386 0.919 20 5 FCBDMO COC(=O)c1cnc(N(C)CCC[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000189287146 209248346 /nfs/dbraw/zinc/24/83/46/209248346.db2.gz DZDIDPQZLXULJR-UHFFFAOYSA-N 1 1 351.407 0.850 20 5 FCBDMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000276816867 212293743 /nfs/dbraw/zinc/29/37/43/212293743.db2.gz FFSLDJQXPJVGQM-UHFFFAOYSA-N 1 1 366.374 0.696 20 5 FCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000276627996 212267682 /nfs/dbraw/zinc/26/76/82/212267682.db2.gz PAHBEPQIQQEITB-STQMWFEESA-N 1 1 364.402 0.238 20 5 FCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000276627990 212267367 /nfs/dbraw/zinc/26/73/67/212267367.db2.gz PAHBEPQIQQEITB-CHWSQXEVSA-N 1 1 364.402 0.238 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000186921950 209202552 /nfs/dbraw/zinc/20/25/52/209202552.db2.gz MZRLGCJOZIOXBB-GFCCVEGCSA-N 1 1 353.423 0.793 20 5 FCBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186616181 209194303 /nfs/dbraw/zinc/19/43/03/209194303.db2.gz UIWLAWTUWJQRKH-ZDUSSCGKSA-N 1 1 361.402 0.430 20 5 FCBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000276083606 212155917 /nfs/dbraw/zinc/15/59/17/212155917.db2.gz GPQVPWMGNRCJQR-NSHDSACASA-N 1 1 371.415 0.954 20 5 FCBDMO COCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000275737864 212082384 /nfs/dbraw/zinc/08/23/84/212082384.db2.gz YXDAPLWWLTUYEV-UHFFFAOYSA-N 1 1 368.415 1.000 20 5 FCBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000275737864 212082388 /nfs/dbraw/zinc/08/23/88/212082388.db2.gz YXDAPLWWLTUYEV-UHFFFAOYSA-N 1 1 368.415 1.000 20 5 FCBDMO O=Cc1ccc(OCC(=O)NCC[N@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000275758028 212085557 /nfs/dbraw/zinc/08/55/57/212085557.db2.gz DLKPTOVJKYHIHI-UHFFFAOYSA-N 1 1 351.359 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1 350.379 0.266 20 5 FCBDMO COC(=O)c1cc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)oc1C ZINC000174699948 547352602 /nfs/dbraw/zinc/35/26/02/547352602.db2.gz IZEUYJHSWNQZNZ-GFCCVEGCSA-N 1 1 352.347 0.972 20 5 FCBDMO CNc1nccc(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000552918031 547361800 /nfs/dbraw/zinc/36/18/00/547361800.db2.gz UZIVCSMXSXFMQK-TXEJJXNPSA-N 1 1 351.407 1.261 20 5 FCBDMO C[NH+]1CCC(C(=O)NCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000948928928 674390490 /nfs/dbraw/zinc/39/04/90/674390490.db2.gz SSTLBBQYEHCYSY-HUUCEWRRSA-N 1 1 352.435 0.348 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000737746879 598374242 /nfs/dbraw/zinc/37/42/42/598374242.db2.gz SSNAWSURXPMKAO-LBPRGKRZSA-N 1 1 374.405 0.774 20 5 FCBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1[NH+]1CCOCC1 ZINC000820776961 606226357 /nfs/dbraw/zinc/22/63/57/606226357.db2.gz OEPLFNMXSRPOCF-ZWNOBZJWSA-N 1 1 360.378 0.327 20 5 FCBDMO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1[NH+]1CCOCC1 ZINC000820776959 606226533 /nfs/dbraw/zinc/22/65/33/606226533.db2.gz OEPLFNMXSRPOCF-GXFFZTMASA-N 1 1 360.378 0.327 20 5 FCBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899063534 665927716 /nfs/dbraw/zinc/92/77/16/665927716.db2.gz FVHYXMQDXPCYIS-UHFFFAOYSA-N 1 1 353.350 0.841 20 5 FCBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899063534 665927717 /nfs/dbraw/zinc/92/77/17/665927717.db2.gz FVHYXMQDXPCYIS-UHFFFAOYSA-N 1 1 353.350 0.841 20 5 FCBDMO CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000978796336 664445868 /nfs/dbraw/zinc/44/58/68/664445868.db2.gz FPGCZPXCAKKHIS-XJFOESAGSA-N 1 1 352.435 0.395 20 5 FCBDMO CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000978796336 664445871 /nfs/dbraw/zinc/44/58/71/664445871.db2.gz FPGCZPXCAKKHIS-XJFOESAGSA-N 1 1 352.435 0.395 20 5 FCBDMO CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000978796336 664445875 /nfs/dbraw/zinc/44/58/75/664445875.db2.gz FPGCZPXCAKKHIS-XJFOESAGSA-N 1 1 352.435 0.395 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC[N@H+](C)C1 ZINC000840505215 664960860 /nfs/dbraw/zinc/96/08/60/664960860.db2.gz VTOADZFZTPDLNT-LLVKDONJSA-N 1 1 350.375 0.662 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC[N@@H+](C)C1 ZINC000840505215 664960862 /nfs/dbraw/zinc/96/08/62/664960862.db2.gz VTOADZFZTPDLNT-LLVKDONJSA-N 1 1 350.375 0.662 20 5 FCBDMO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H](O)C[C@@]3(O)CCOC3)CC2)c1 ZINC000905912910 666042234 /nfs/dbraw/zinc/04/22/34/666042234.db2.gz LJCYJXLBISGXIQ-SJORKVTESA-N 1 1 351.403 0.619 20 5 FCBDMO C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000906229905 666050197 /nfs/dbraw/zinc/05/01/97/666050197.db2.gz MXBRRJRQLCIMOY-CMPLNLGQSA-N 1 1 350.350 0.907 20 5 FCBDMO CC(C)Cn1ncnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996429299 666921208 /nfs/dbraw/zinc/92/12/08/666921208.db2.gz OSEKYZANSXEYIQ-ZIAGYGMSSA-N 1 1 350.423 0.680 20 5 FCBDMO CCCn1c(C)nnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996430112 666921287 /nfs/dbraw/zinc/92/12/87/666921287.db2.gz ZZPKJQDSJPRYPB-ZIAGYGMSSA-N 1 1 350.423 0.742 20 5 FCBDMO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000917652017 667082362 /nfs/dbraw/zinc/08/23/62/667082362.db2.gz KGDJHYGYEHXGQO-UHFFFAOYSA-N 1 1 374.394 0.128 20 5 FCBDMO C[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000919998698 667216176 /nfs/dbraw/zinc/21/61/76/667216176.db2.gz BNNUPXBMWPHYDV-BBRMVZONSA-N 1 1 370.475 0.691 20 5 FCBDMO C[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000919998698 667216178 /nfs/dbraw/zinc/21/61/78/667216178.db2.gz BNNUPXBMWPHYDV-BBRMVZONSA-N 1 1 370.475 0.691 20 5 FCBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000919999128 667216667 /nfs/dbraw/zinc/21/66/67/667216667.db2.gz FAJRIRYABZOYHW-FZMZJTMJSA-N 1 1 374.438 0.955 20 5 FCBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000919999128 667216670 /nfs/dbraw/zinc/21/66/70/667216670.db2.gz FAJRIRYABZOYHW-FZMZJTMJSA-N 1 1 374.438 0.955 20 5 FCBDMO C[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000919999389 667217123 /nfs/dbraw/zinc/21/71/23/667217123.db2.gz IMHSSJFCDPEXKY-CJNGLKHVSA-N 1 1 370.475 0.691 20 5 FCBDMO C[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000919999389 667217125 /nfs/dbraw/zinc/21/71/25/667217125.db2.gz IMHSSJFCDPEXKY-CJNGLKHVSA-N 1 1 370.475 0.691 20 5 FCBDMO C[NH+]1CCC(CC(=O)N2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000946738333 667712241 /nfs/dbraw/zinc/71/22/41/667712241.db2.gz NADODDYWWIVUGN-HUUCEWRRSA-N 1 1 352.435 0.491 20 5 FCBDMO COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000759259030 667800051 /nfs/dbraw/zinc/80/00/51/667800051.db2.gz KQBLJVHYMZFNGQ-GFCCVEGCSA-N 1 1 373.431 0.993 20 5 FCBDMO COCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000759259030 667800054 /nfs/dbraw/zinc/80/00/54/667800054.db2.gz KQBLJVHYMZFNGQ-GFCCVEGCSA-N 1 1 373.431 0.993 20 5 FCBDMO Cc1c(CN2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000923434283 667835202 /nfs/dbraw/zinc/83/52/02/667835202.db2.gz MSKREGIFEVPMEO-UHFFFAOYSA-N 1 1 354.432 0.322 20 5 FCBDMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768807122 668098555 /nfs/dbraw/zinc/09/85/55/668098555.db2.gz IEWKRTKWBZSMPG-UHFFFAOYSA-N 1 1 362.433 0.099 20 5 FCBDMO CC1(C)CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC[N@@H+]1CCO ZINC000780628072 668481043 /nfs/dbraw/zinc/48/10/43/668481043.db2.gz DGSAQRINELIQQZ-UHFFFAOYSA-N 1 1 358.420 0.135 20 5 FCBDMO CC1(C)CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC[N@H+]1CCO ZINC000780628072 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FCBDMO CCc1[nH]nc(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000827456918 669569833 /nfs/dbraw/zinc/56/98/33/669569833.db2.gz RCMDCPLKNGJWIY-UHFFFAOYSA-N 1 1 350.423 0.732 20 5 FCBDMO COC(=O)Nc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000842697929 670714610 /nfs/dbraw/zinc/71/46/10/670714610.db2.gz JBDKTQQUXGYQNM-SECBINFHSA-N 1 1 358.376 0.756 20 5 FCBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC000845575409 671025230 /nfs/dbraw/zinc/02/52/30/671025230.db2.gz HHKNGQNFUNWNTL-KBPBESRZSA-N 1 1 369.399 0.404 20 5 FCBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC000845575409 671025238 /nfs/dbraw/zinc/02/52/38/671025238.db2.gz HHKNGQNFUNWNTL-KBPBESRZSA-N 1 1 369.399 0.404 20 5 FCBDMO O=C(CC1CCC1)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575119 676024787 /nfs/dbraw/zinc/02/47/87/676024787.db2.gz NNPLALOVVLSEMQ-HUUCEWRRSA-N 1 1 352.435 0.539 20 5 FCBDMO C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1C[N@@H+](C)CCN1C ZINC000900803510 675717685 /nfs/dbraw/zinc/71/76/85/675717685.db2.gz JVPGXTSSSQSNJJ-GWCFXTLKSA-N 1 1 350.375 0.688 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC000969422999 1167948843 /nfs/dbraw/zinc/94/88/43/1167948843.db2.gz XBPMYKSRCBJSJR-LXTVHRRPSA-N 1 1 362.430 0.482 20 5 FCBDMO CN(CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000988555257 1192280953 /nfs/dbraw/zinc/28/09/53/1192280953.db2.gz OFCVHRRKHWNYJU-HZPDHXFCSA-N 1 1 366.462 0.833 20 5 FCBDMO CN(CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000988555257 1192280968 /nfs/dbraw/zinc/28/09/68/1192280968.db2.gz OFCVHRRKHWNYJU-HZPDHXFCSA-N 1 1 366.462 0.833 20 5 FCBDMO CN(CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000988555257 1192280991 /nfs/dbraw/zinc/28/09/91/1192280991.db2.gz OFCVHRRKHWNYJU-HZPDHXFCSA-N 1 1 366.462 0.833 20 5 FCBDMO 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O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593856142 1196826680 /nfs/dbraw/zinc/82/66/80/1196826680.db2.gz VUQNZFJIKOTIQA-MRXNPFEDSA-N 1 1 357.370 0.672 20 5 FCBDMO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593856142 1196826682 /nfs/dbraw/zinc/82/66/82/1196826682.db2.gz VUQNZFJIKOTIQA-MRXNPFEDSA-N 1 1 357.370 0.672 20 5 FCBDMO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cnn(-c3ccccc3)n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086084505 1198144332 /nfs/dbraw/zinc/14/43/32/1198144332.db2.gz UGHSECDYUQLYGN-DLTLXFJOSA-N 1 1 370.413 0.917 20 5 FCBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000742242571 1198168213 /nfs/dbraw/zinc/16/82/13/1198168213.db2.gz YFRVVLNFTLCQCW-GFCCVEGCSA-N 1 1 362.386 0.921 20 5 FCBDMO Cn1nnc2cc(C[NH2+][C@H]3C[C@H](CNC(=O)[C@@H]4CC4[N+](=O)[O-])C3)ccc21 ZINC001086363400 1198327778 /nfs/dbraw/zinc/32/77/78/1198327778.db2.gz RRXXYTYZEIIOOK-BRXULGCHSA-N 1 1 358.402 0.618 20 5 FCBDMO CN(C)C(=O)CN1CC[C@]2(CCC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1=O ZINC001169018362 1199043489 /nfs/dbraw/zinc/04/34/89/1199043489.db2.gz AVPZDMYBPQVIHS-DAYGRLMNSA-N 1 1 366.462 0.835 20 5 FCBDMO O=C(N[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001169027085 1199043660 /nfs/dbraw/zinc/04/36/60/1199043660.db2.gz ZTWKWJGWUDIIHO-YAYDYNKSSA-N 1 1 361.402 0.351 20 5 FCBDMO CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001169026684 1199045065 /nfs/dbraw/zinc/04/50/65/1199045065.db2.gz YRTMXPVHSNIWKJ-YLFCFFPRSA-N 1 1 368.478 0.543 20 5 FCBDMO CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001169026684 1199045073 /nfs/dbraw/zinc/04/50/73/1199045073.db2.gz YRTMXPVHSNIWKJ-YLFCFFPRSA-N 1 1 368.478 0.543 20 5 FCBDMO CN(C)C(=O)CN1CCO[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001169026684 1199045080 /nfs/dbraw/zinc/04/50/80/1199045080.db2.gz YRTMXPVHSNIWKJ-YLFCFFPRSA-N 1 1 368.478 0.543 20 5 FCBDMO CN(C)C(=O)CN1CCO[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001169026684 1199045091 /nfs/dbraw/zinc/04/50/91/1199045091.db2.gz YRTMXPVHSNIWKJ-YLFCFFPRSA-N 1 1 368.478 0.543 20 5 FCBDMO CC[NH+]1CCN(C(=O)CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000844143785 1203336638 /nfs/dbraw/zinc/33/66/38/1203336638.db2.gz OSXFOISWWBXIOJ-UHFFFAOYSA-N 1 1 370.356 0.967 20 5 FCBDMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000931870267 1211775186 /nfs/dbraw/zinc/77/51/86/1211775186.db2.gz KNWHUTYWLGYTDS-OAHLLOKOSA-N 1 1 361.402 0.064 20 5 FCBDMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000931870267 1211775188 /nfs/dbraw/zinc/77/51/88/1211775188.db2.gz KNWHUTYWLGYTDS-OAHLLOKOSA-N 1 1 361.402 0.064 20 5 FCBDMO CC(C)(CO)[NH+]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000778945994 1211941554 /nfs/dbraw/zinc/94/15/54/1211941554.db2.gz WWPVBOYWDCRMMS-UHFFFAOYSA-N 1 1 361.402 0.860 20 5 FCBDMO 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O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001117151249 1221482456 /nfs/dbraw/zinc/48/24/56/1221482456.db2.gz LCQSOINVANXEIO-HOTGVXAUSA-N 1 1 374.397 0.416 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC001118083954 1221707360 /nfs/dbraw/zinc/70/73/60/1221707360.db2.gz HKGDNPHELVIXOP-AWEZNQCLSA-N 1 1 364.402 0.772 20 5 FCBDMO C[C@H](CCN1CCN(C)CC1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001120588712 1222106719 /nfs/dbraw/zinc/10/67/19/1222106719.db2.gz CMYRYFISOZUOLS-HZPDHXFCSA-N 1 1 366.462 0.950 20 5 FCBDMO COCCn1c([C@@H](C)[N+](=O)[O-])nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001122419541 1222272945 /nfs/dbraw/zinc/27/29/45/1222272945.db2.gz RONSXJWOBGXUOW-HZSPNIEDSA-N 1 1 370.454 0.808 20 5 FCBDMO COCCn1c([C@@H](C)[N+](=O)[O-])nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001122419541 1222272950 /nfs/dbraw/zinc/27/29/50/1222272950.db2.gz RONSXJWOBGXUOW-HZSPNIEDSA-N 1 1 370.454 0.808 20 5 FCBDMO COCC(COC)[NH+]1CCN(c2nnc(C[N+](=O)[O-])n2CC(C)C)CC1 ZINC001122730382 1222291989 /nfs/dbraw/zinc/29/19/89/1222291989.db2.gz GQELUTMIJHVCRB-UHFFFAOYSA-N 1 1 370.454 0.494 20 5 FCBDMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000833565482 1222556647 /nfs/dbraw/zinc/55/66/47/1222556647.db2.gz HYYRBROBJBTDSQ-AWEZNQCLSA-N 1 1 361.402 0.908 20 5 FCBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000838282300 1222676201 /nfs/dbraw/zinc/67/62/01/1222676201.db2.gz XBPCJHIHHODKMH-IUODEOHRSA-N 1 1 365.386 0.724 20 5 FCBDMO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000839483844 1222741351 /nfs/dbraw/zinc/74/13/51/1222741351.db2.gz GOZDHXOJGFXWDL-ZIAGYGMSSA-N 1 1 362.386 0.821 20 5 FCBDMO C[C@@H]1CN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@H](C)[N@@H+]1CCO ZINC000840132730 1222772623 /nfs/dbraw/zinc/77/26/23/1222772623.db2.gz DJMPBUKVFGJNFQ-TXEJJXNPSA-N 1 1 362.386 0.535 20 5 FCBDMO C[NH+](C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841061513 1222806906 /nfs/dbraw/zinc/80/69/06/1222806906.db2.gz ZWVLYRDEMDTACG-OAGGEKHMSA-N 1 1 360.414 0.283 20 5 FCBDMO CCOC(=O)C1=C(Nc2nc(NC(C)=O)nc(C)c2[N+](=O)[O-])CC[NH2+]C1 ZINC001159459610 1223127366 /nfs/dbraw/zinc/12/73/66/1223127366.db2.gz QHGHWDOTOPHYJT-UHFFFAOYSA-N 1 1 364.362 0.874 20 5 FCBDMO C[NH+]1CCN(C(=O)CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC001159915266 1223139528 /nfs/dbraw/zinc/13/95/28/1223139528.db2.gz BXKLGWRCEMZXIG-UHFFFAOYSA-N 1 1 361.402 0.673 20 5 FCBDMO [NH3+][C@@H]1NCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[C@@H]2NCN[C@@H]21 ZINC001162443556 1223215753 /nfs/dbraw/zinc/21/57/53/1223215753.db2.gz HITGAYZQQLNGNK-OAGGEKHMSA-N 1 1 359.365 0.293 20 5 FCBDMO CCc1cc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001162445128 1223216201 /nfs/dbraw/zinc/21/62/01/1223216201.db2.gz FDFWXDFWUWSHAC-ZOBUZTSGSA-N 1 1 370.417 0.111 20 5 FCBDMO CC1(N2CCOCC2)CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001165135781 1223242483 /nfs/dbraw/zinc/24/24/83/1223242483.db2.gz HKERKVPVPQAYGF-UHFFFAOYSA-N 1 1 362.434 0.763 20 5 FCBDMO COc1coc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1=O ZINC000985433201 1248920579 /nfs/dbraw/zinc/92/05/79/1248920579.db2.gz JINONVLTHCATAW-ZIAGYGMSSA-N 1 1 365.386 0.736 20 5 FCBDMO COc1coc(C[N@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1=O ZINC000985433201 1248920588 /nfs/dbraw/zinc/92/05/88/1248920588.db2.gz JINONVLTHCATAW-ZIAGYGMSSA-N 1 1 365.386 0.736 20 5 FCBDMO COc1coc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1=O ZINC000985433201 1248920597 /nfs/dbraw/zinc/92/05/97/1248920597.db2.gz JINONVLTHCATAW-ZIAGYGMSSA-N 1 1 365.386 0.736 20 5 FCBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000916558524 1245537376 /nfs/dbraw/zinc/53/73/76/1245537376.db2.gz RKUIWALRKBBOBW-UHFFFAOYSA-N 1 1 365.346 0.349 20 5 FCBDMO O=C([C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCNCC1 ZINC000923283766 1245705709 /nfs/dbraw/zinc/70/57/09/1245705709.db2.gz YCVKKXNNEBRXSK-NVXWUHKLSA-N 1 1 362.430 0.772 20 5 FCBDMO O=C([C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCNCC1 ZINC000923283766 1245705718 /nfs/dbraw/zinc/70/57/18/1245705718.db2.gz YCVKKXNNEBRXSK-NVXWUHKLSA-N 1 1 362.430 0.772 20 5 FCBDMO O=C(NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C12CCC[NH+](CCC1)C2 ZINC000946702948 1247959950 /nfs/dbraw/zinc/95/99/50/1247959950.db2.gz DVXWGYTTXVBXPF-HUUCEWRRSA-N 1 1 364.446 0.635 20 5 FCBDMO NC(=O)c1cccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000997772253 1251699869 /nfs/dbraw/zinc/69/98/69/1251699869.db2.gz MTQZSLOAQVOUSC-HZPDHXFCSA-N 1 1 360.414 0.779 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2nnc3n2CCCC3)CC1 ZINC000997770930 1251700290 /nfs/dbraw/zinc/70/02/90/1251700290.db2.gz CHPXRVBAYGYVBR-ZIAGYGMSSA-N 1 1 362.434 0.608 20 5 FCBDMO O=C(NCC1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001810420 1252353625 /nfs/dbraw/zinc/35/36/25/1252353625.db2.gz LOWYWJQYIDRRCF-HZPDHXFCSA-N 1 1 364.446 0.348 20 5 FCBDMO COc1nccc(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001029964636 1253873119 /nfs/dbraw/zinc/87/31/19/1253873119.db2.gz SNRYKINHPQQBQD-HUUCEWRRSA-N 1 1 363.418 0.821 20 5 FCBDMO COc1nccc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001029964636 1253873127 /nfs/dbraw/zinc/87/31/27/1253873127.db2.gz SNRYKINHPQQBQD-HUUCEWRRSA-N 1 1 363.418 0.821 20 5 FCBDMO COc1nccc(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001029964636 1253873137 /nfs/dbraw/zinc/87/31/37/1253873137.db2.gz SNRYKINHPQQBQD-HUUCEWRRSA-N 1 1 363.418 0.821 20 5 FCBDMO CCCCn1nnnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001034645570 1254000039 /nfs/dbraw/zinc/00/00/39/1254000039.db2.gz TWRSLCFLCWZRKN-AAVRWANBSA-N 1 1 365.438 0.655 20 5 FCBDMO C[NH+](C)CC1(C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC3)CC1 ZINC001061105552 1254158164 /nfs/dbraw/zinc/15/81/64/1254158164.db2.gz GUOGGXCCRJORSZ-ZIAGYGMSSA-N 1 1 364.446 0.444 20 5 FCBDMO CC(C)[NH+]1CCC(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)CC1 ZINC001062993160 1254290515 /nfs/dbraw/zinc/29/05/15/1254290515.db2.gz RKBUMRRXCRXXBK-HUUCEWRRSA-N 1 1 366.462 0.927 20 5 FCBDMO O=C(NC1(CNC(=O)C23CCC[NH+](CCC2)C3)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001063492204 1254350013 /nfs/dbraw/zinc/35/00/13/1254350013.db2.gz LLPNVMWMBPBGCB-ZIAGYGMSSA-N 1 1 364.446 0.683 20 5 FCBDMO CCN(C(=O)C(C)(C)[NH+]1CCCCC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079825804 1255622165 /nfs/dbraw/zinc/62/21/65/1255622165.db2.gz UPUJOTSWSGPSSO-HUUCEWRRSA-N 1 1 366.462 0.975 20 5 FCBDMO C[C@@H](CCN1CCN(C)CC1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001335986294 1259931495 /nfs/dbraw/zinc/93/14/95/1259931495.db2.gz MPASHHFLSLYDDE-DOTOQJQBSA-N 1 1 366.462 0.950 20 5 FCBDMO CC(C)N1CC[NH+](C2CCN(c3nnc(C[N+](=O)[O-])n3C)CC2)CC1 ZINC001338205024 1260585705 /nfs/dbraw/zinc/58/57/05/1260585705.db2.gz CMWCDJYGBFXYRJ-UHFFFAOYSA-N 1 1 351.455 0.587 20 5 FCBDMO COC(=O)[C@]1(O)CC[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001308032307 1263207718 /nfs/dbraw/zinc/20/77/18/1263207718.db2.gz FKQXUSITMJITGU-INIZCTEOSA-N 1 1 367.358 0.542 20 5 FCBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC001322375677 1264186687 /nfs/dbraw/zinc/18/66/87/1264186687.db2.gz HUAIQFGJHOEWBW-UHFFFAOYSA-N 1 1 360.414 0.808 20 5 FCBDMO C[C@H](NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC001323570652 1264458220 /nfs/dbraw/zinc/45/82/20/1264458220.db2.gz ORNXMNZCXIDJGS-WFASDCNBSA-N 1 1 364.402 0.389 20 5 FCBDMO C[C@H](NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC001323570652 1264458227 /nfs/dbraw/zinc/45/82/27/1264458227.db2.gz ORNXMNZCXIDJGS-WFASDCNBSA-N 1 1 364.402 0.389 20 5 FCBDMO NC(=O)COC1CC[NH+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC001323609723 1264466481 /nfs/dbraw/zinc/46/64/81/1264466481.db2.gz ZISQHYFEJJBMCV-UHFFFAOYSA-N 1 1 360.374 0.777 20 5 FCBDMO C[C@H](CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)[N@H+]1CCC[C@H](C)C1 ZINC001323906172 1264537793 /nfs/dbraw/zinc/53/77/93/1264537793.db2.gz QQICXHDFGUPGPY-QWHCGFSZSA-N 1 1 366.422 0.144 20 5 FCBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001327324059 1265285404 /nfs/dbraw/zinc/28/54/04/1265285404.db2.gz URHUIVMZYJFKEM-ZDUSSCGKSA-N 1 1 366.422 0.002 20 5 FCBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCc2nc[nH]c2[C@@]12CC[NH2+]C2 ZINC001580562139 1278488246 /nfs/dbraw/zinc/48/82/46/1278488246.db2.gz KAJAIYXNJVFGNO-KRWDZBQOSA-N 1 1 357.370 0.970 20 5 FCBDMO C[C@H](c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@H]1CCOC1)[N+](=O)[O-] ZINC001344206871 1270112805 /nfs/dbraw/zinc/11/28/05/1270112805.db2.gz XDGILWLTBSLJCA-MCIONIFRSA-N 1 1 366.422 0.173 20 5 FCBDMO C[C@H](c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@H]1CCOC1)[N+](=O)[O-] ZINC001344206871 1270112811 /nfs/dbraw/zinc/11/28/11/1270112811.db2.gz XDGILWLTBSLJCA-MCIONIFRSA-N 1 1 366.422 0.173 20 5 FCBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccc(-c2nn[nH]n2)c1 ZINC001578052399 1275346004 /nfs/dbraw/zinc/34/60/04/1275346004.db2.gz UZLKXYLLTUFBAW-ZIAGYGMSSA-N 1 1 359.390 0.470 20 5 FCBDMO CC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cccc(-c2nn[nH]n2)c1 ZINC001578052399 1275346010 /nfs/dbraw/zinc/34/60/10/1275346010.db2.gz UZLKXYLLTUFBAW-ZIAGYGMSSA-N 1 1 359.390 0.470 20 5 FCBDMO CC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cccc(-c2nn[nH]n2)c1 ZINC001578052399 1275346019 /nfs/dbraw/zinc/34/60/19/1275346019.db2.gz UZLKXYLLTUFBAW-ZIAGYGMSSA-N 1 1 359.390 0.470 20 5 FCBDMO CC1(C)C[N@H+](CCNc2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CCO1 ZINC001603785365 1287496216 /nfs/dbraw/zinc/49/62/16/1287496216.db2.gz UQIDGMQDDRAAOI-UHFFFAOYSA-N 1 1 362.394 0.880 20 5 FCBDMO CC1(C)C[N@@H+](CCNc2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CCO1 ZINC001603785365 1287496223 /nfs/dbraw/zinc/49/62/23/1287496223.db2.gz UQIDGMQDDRAAOI-UHFFFAOYSA-N 1 1 362.394 0.880 20 5 FCBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC[NH2+]1 ZINC001590207110 1283326389 /nfs/dbraw/zinc/32/63/89/1283326389.db2.gz OOTZVTCZWPWTDX-BDAKNGLRSA-N 1 1 367.391 0.194 20 5 FCBDMO CN(CC[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001591090898 1284163575 /nfs/dbraw/zinc/16/35/75/1284163575.db2.gz PDIMLSXSEFPHRT-ZIAGYGMSSA-N 1 1 359.390 0.422 20 5 FCBDMO CN(CC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001591090898 1284163581 /nfs/dbraw/zinc/16/35/81/1284163581.db2.gz PDIMLSXSEFPHRT-ZIAGYGMSSA-N 1 1 359.390 0.422 20 5 FCBDMO CN(CC[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001591090898 1284163585 /nfs/dbraw/zinc/16/35/85/1284163585.db2.gz PDIMLSXSEFPHRT-ZIAGYGMSSA-N 1 1 359.390 0.422 20 5 FCBDMO Cn1cc([N+](=O)[O-])c(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC001592577723 1285495831 /nfs/dbraw/zinc/49/58/31/1285495831.db2.gz PMRJXLUOGWKJOX-UHFFFAOYSA-N 1 1 369.389 0.831 20 5 FCBDMO [NH3+]CCCCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001592745501 1285665197 /nfs/dbraw/zinc/66/51/97/1285665197.db2.gz QYUDSHWTYLLOJC-UHFFFAOYSA-N 1 1 369.407 0.572 20 5 FCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001593310959 1286070096 /nfs/dbraw/zinc/07/00/96/1286070096.db2.gz YIRWBNLJORGKGQ-HUUCEWRRSA-N 1 1 371.401 0.566 20 5 FCBDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC[C@H]2N1 ZINC001593393869 1286114178 /nfs/dbraw/zinc/11/41/78/1286114178.db2.gz ODXLNWQJYVRHMD-DGCLKSJQSA-N 1 1 357.374 0.875 20 5 FCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)c1-c1nn[nH]n1 ZINC001593483983 1286174083 /nfs/dbraw/zinc/17/40/83/1286174083.db2.gz NGUKCODRWXSHLA-VIFPVBQESA-N 1 1 367.391 0.195 20 5 FCBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001593481763 1286174123 /nfs/dbraw/zinc/17/41/23/1286174123.db2.gz KNXNJVJTAJUXKF-ZDUSSCGKSA-N 1 1 373.417 0.806 20 5 FCBDMO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC[N@@H+](C)C1 ZINC001609297240 1289066765 /nfs/dbraw/zinc/06/67/65/1289066765.db2.gz IWJNITODZPRGON-SNVBAGLBSA-N 1 1 361.362 0.316 20 5 FCBDMO CNC(=O)N[C@H]1CCC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001604884741 1287807224 /nfs/dbraw/zinc/80/72/24/1287807224.db2.gz DXWCVRNWXLWFHP-JTQLQIEISA-N 1 1 360.378 0.668 20 5 FCBDMO CNC(=O)N[C@H]1CCC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001604884741 1287807230 /nfs/dbraw/zinc/80/72/30/1287807230.db2.gz DXWCVRNWXLWFHP-JTQLQIEISA-N 1 1 360.378 0.668 20 5 FCBDMO CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001604885354 1287807875 /nfs/dbraw/zinc/80/78/75/1287807875.db2.gz UCAOGMRMNOVLCU-LBPRGKRZSA-N 1 1 360.378 0.668 20 5 FCBDMO CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001604885354 1287807879 /nfs/dbraw/zinc/80/78/79/1287807879.db2.gz UCAOGMRMNOVLCU-LBPRGKRZSA-N 1 1 360.378 0.668 20 5 FCBDMO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001607053319 1288622421 /nfs/dbraw/zinc/62/24/21/1288622421.db2.gz PHLZKCGXSKSTEI-LLVKDONJSA-N 1 1 372.389 0.765 20 5 FCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001607081027 1288652360 /nfs/dbraw/zinc/65/23/60/1288652360.db2.gz YEGKXKKBNNNDLO-LBPRGKRZSA-N 1 1 374.405 0.719 20 5 FCBDMO O=C(NCC1([NH2+]CCS(=O)(=O)c2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001754514056 1290630467 /nfs/dbraw/zinc/63/04/67/1290630467.db2.gz OMUXXMBYLOEXKB-ZIAGYGMSSA-N 1 1 367.427 0.364 20 5 FCBDMO COc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001755280935 1290642943 /nfs/dbraw/zinc/64/29/43/1290642943.db2.gz RSKLJOFNVWHFAI-CHWSQXEVSA-N 1 1 351.407 0.725 20 5 FCBDMO O=C(C[NH2+][C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)N(C1CC1)C1CCCC1 ZINC001690274412 1294863657 /nfs/dbraw/zinc/86/36/57/1294863657.db2.gz PUUWIZACAZDQBF-CZPYZCIJSA-N 1 1 364.446 0.822 20 5 FCBDMO Cc1ccccc1CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001690336825 1294865141 /nfs/dbraw/zinc/86/51/41/1294865141.db2.gz TTZVBCQKNHRKPE-QKPAOTATSA-N 1 1 360.414 0.513 20 5 FCBDMO Cc1ncc([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164743870 720680941 /nfs/dbraw/zinc/68/09/41/720680941.db2.gz YLUAIYSFZVOQFO-OLZOCXBDSA-N 1 1 357.374 0.825 20 5 FCBDMO COCC[N@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])c(C)n3)CC[C@@H]2C1 ZINC001164853345 720886064 /nfs/dbraw/zinc/88/60/64/720886064.db2.gz BZWAQWKVTLBPPH-HIFRSBDPSA-N 1 1 351.407 0.867 20 5 FCBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001164932178 721851101 /nfs/dbraw/zinc/85/11/01/721851101.db2.gz WZMDXHSPHGQBKW-CABCVRRESA-N 1 1 363.418 0.991 20 5 FCBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001164932178 721851102 /nfs/dbraw/zinc/85/11/02/721851102.db2.gz WZMDXHSPHGQBKW-CABCVRRESA-N 1 1 363.418 0.991 20 5 FCBDMO NC(=O)C1([NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCCC1 ZINC000746475859 836186189 /nfs/dbraw/zinc/18/61/89/836186189.db2.gz SAMIDJJGISORHU-UHFFFAOYSA-N 1 1 350.331 0.650 20 5 FCBDMO CCN(C(=O)C[NH+]1CCC(C)CC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080347614 839708575 /nfs/dbraw/zinc/70/85/75/839708575.db2.gz ZILXMHAICZRWBV-HUUCEWRRSA-N 1 1 352.435 0.443 20 5 FCBDMO CCCCn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086363145 842126748 /nfs/dbraw/zinc/12/67/48/842126748.db2.gz DOSVLEAAHYRYQR-FDYHWXHSSA-N 1 1 351.411 0.123 20 5 FCBDMO COc1coc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1=O ZINC001086363725 842127427 /nfs/dbraw/zinc/12/74/27/842127427.db2.gz HPYBGLULXIENTB-FPQZTECRSA-N 1 1 351.359 0.298 20 5 FCBDMO Cc1cccc(S(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001126936205 848713403 /nfs/dbraw/zinc/71/34/03/848713403.db2.gz AKVGPFNLRJHGBS-HUUCEWRRSA-N 1 1 369.443 0.530 20 5 FCBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001150928107 849672848 /nfs/dbraw/zinc/67/28/48/849672848.db2.gz JVBPQMNMGYVCGT-LLVKDONJSA-N 1 1 351.359 0.553 20 5 FCBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1-n1cnc(C[NH3+])cc1=N ZINC001156619834 849917672 /nfs/dbraw/zinc/91/76/72/849917672.db2.gz GWWGUVSLKFNPCO-UHFFFAOYSA-N 1 1 352.738 0.944 20 5 FCBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC([NH2+]C3COC3)C2)cc1OC ZINC001157594912 849984003 /nfs/dbraw/zinc/98/40/03/849984003.db2.gz VPRAKJHTIJGBGU-UHFFFAOYSA-N 1 1 351.359 0.815 20 5 FCBDMO CC(C)N(C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCC1 ZINC001157767846 849991379 /nfs/dbraw/zinc/99/13/79/849991379.db2.gz XPQQYDMWFWNKMQ-HUUCEWRRSA-N 1 1 354.451 0.927 20 5 FCBDMO O=C(NCCC[NH2+]CCOCC(F)(F)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC001157767047 849992030 /nfs/dbraw/zinc/99/20/30/849992030.db2.gz FKPQGGBLYVTJGT-RKDXNWHRSA-N 1 1 363.283 0.962 20 5 FCBDMO CN(Cc1ccsc1)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157774848 849993457 /nfs/dbraw/zinc/99/34/57/849993457.db2.gz CYQRWAOMIUTDHS-CHWSQXEVSA-N 1 1 354.432 0.468 20 5 FCBDMO CCOC(=O)C1=C(Nc2nc(C(=O)OC)ccc2[N+](=O)[O-])CC[NH2+]C1 ZINC001159459887 850117812 /nfs/dbraw/zinc/11/78/12/850117812.db2.gz XKHCNLZPHOWPLB-UHFFFAOYSA-N 1 1 350.331 0.999 20 5 FCBDMO CNC(=O)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC001161137592 850233070 /nfs/dbraw/zinc/23/30/70/850233070.db2.gz SDFYWJSJXMWEPT-UHFFFAOYSA-N 1 1 351.363 0.399 20 5 FCBDMO [NH3+][C@@H]1NCN(c2ccc3ccc4ccc(Cl)nc4c3n2)[C@@H]2NCN[C@@H]21 ZINC001162440751 850316486 /nfs/dbraw/zinc/31/64/86/850316486.db2.gz UWMBGUOPRQQTBV-ZACQAIPSSA-N 1 1 355.833 0.933 20 5 FCBDMO O=C(C[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NCC(F)(F)F ZINC001164490392 850413891 /nfs/dbraw/zinc/41/38/91/850413891.db2.gz HOSVGEFXJCGZJJ-NXEZZACHSA-N 1 1 366.340 0.206 20 5 FCBDMO CN(C)C(=O)COC[C@]12COC[C@H]1C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169020194 850602523 /nfs/dbraw/zinc/60/25/23/850602523.db2.gz KGTCNZBPMLQZPQ-AIANPOQGSA-N 1 1 355.435 0.485 20 5 FCBDMO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1C(N)=O ZINC001169038265 850603462 /nfs/dbraw/zinc/60/34/62/850603462.db2.gz XNOLTNOMGTYFIE-JHJVBQTASA-N 1 1 356.423 0.838 20 5 FCBDMO C[N@@H+](C[C@@H](O)CO)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173696841 850733939 /nfs/dbraw/zinc/73/39/39/850733939.db2.gz XHKWGALNNDJDNT-CYBMUJFWSA-N 1 1 373.431 0.033 20 5 FCBDMO C[N@@H+](C[C@H](O)CO)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173696842 850734024 /nfs/dbraw/zinc/73/40/24/850734024.db2.gz XHKWGALNNDJDNT-ZDUSSCGKSA-N 1 1 373.431 0.033 20 5 FCBDMO CC(C)(C)NC(=O)NCC[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001200472994 853499205 /nfs/dbraw/zinc/49/92/05/853499205.db2.gz XCKMCGPDFCOTQY-CHWSQXEVSA-N 1 1 355.439 0.330 20 5 FCBDMO C[N+](C)(C)C[C@H](O)CC(=O)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227097242 857140126 /nfs/dbraw/zinc/14/01/26/857140126.db2.gz XZTPYXOLTZASSK-SNVBAGLBSA-O 1 1 351.339 0.606 20 5 FCBDMO CCOc1ccc(C(=O)NCC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001349648965 866403252 /nfs/dbraw/zinc/40/32/52/866403252.db2.gz HTRUGNYFALJIRV-UHFFFAOYSA-N 1 1 350.375 0.497 20 5 FCBDMO C[N@@H+](CCO)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001303625726 866445904 /nfs/dbraw/zinc/44/59/04/866445904.db2.gz BQKSRASAAAWGBT-LLVKDONJSA-N 1 1 370.431 0.301 20 5 FCBDMO COc1ccc(C(=O)NCC(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC001303801609 866465486 /nfs/dbraw/zinc/46/54/86/866465486.db2.gz ORRVSTXKNIDRJT-JQWIXIFHSA-N 1 1 350.375 0.542 20 5 FCBDMO CNS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001307225109 866649196 /nfs/dbraw/zinc/64/91/96/866649196.db2.gz ULGHVVYKXWZPRP-QWRGUYRKSA-N 1 1 358.395 0.735 20 5 FCBDMO CNS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001307225109 866649204 /nfs/dbraw/zinc/64/92/04/866649204.db2.gz ULGHVVYKXWZPRP-QWRGUYRKSA-N 1 1 358.395 0.735 20 5 FCBDMO CNS(=O)(=O)c1ccc(N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC001307214510 866649832 /nfs/dbraw/zinc/64/98/32/866649832.db2.gz IDJHGCSDMKWQBQ-ABAIWWIYSA-N 1 1 371.463 0.549 20 5 FCBDMO COc1ccc(C[N@@H+](CCO)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001308035902 866692490 /nfs/dbraw/zinc/69/24/90/866692490.db2.gz XRCRZSYWCGWKAA-HNNXBMFYSA-N 1 1 350.375 0.655 20 5 FCBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)n1 ZINC001309964561 866993070 /nfs/dbraw/zinc/99/30/70/866993070.db2.gz YIYBSXKEMMHVQJ-GASCZTMLSA-N 1 1 369.447 0.825 20 5 FCBDMO Cc1c(C(=O)NCC[NH+]2CC=CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC001318889782 867772987 /nfs/dbraw/zinc/77/29/87/867772987.db2.gz ATHTWDZSBUFQQS-UHFFFAOYSA-N 1 1 354.388 0.152 20 5 FCBDMO C[C@H]1C[N@@H+](CCCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCCO1 ZINC001321146536 868380769 /nfs/dbraw/zinc/38/07/69/868380769.db2.gz MFGWZIMZBPKKAO-ZDUSSCGKSA-N 1 1 352.391 0.374 20 5 FCBDMO Nc1cc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nc[nH+]1 ZINC001321565812 868518315 /nfs/dbraw/zinc/51/83/15/868518315.db2.gz BZDOPAKBSDAIHN-UHFFFAOYSA-N 1 1 364.387 0.478 20 5 FCBDMO C[N@@H+](CCNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001345360627 871301921 /nfs/dbraw/zinc/30/19/21/871301921.db2.gz WVHDIAYQLLIONM-UHFFFAOYSA-N 1 1 350.375 0.300 20 5 FCBDMO O=[N+]([O-])CCCc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC1CC1 ZINC001345804344 871497140 /nfs/dbraw/zinc/49/71/40/871497140.db2.gz BZTVXTLBOAMPNJ-AWEZNQCLSA-N 1 1 350.423 0.418 20 5 FCBDMO O=[N+]([O-])CCCc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC1CC1 ZINC001345804344 871497155 /nfs/dbraw/zinc/49/71/55/871497155.db2.gz BZTVXTLBOAMPNJ-AWEZNQCLSA-N 1 1 350.423 0.418 20 5 FCBDMO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)CCn1cc([N+](=O)[O-])cn1 ZINC000292790987 214123587 /nfs/dbraw/zinc/12/35/87/214123587.db2.gz QSWIHKALPYVJOD-UHFFFAOYSA-N 1 1 369.403 0.450 20 5 FCBDMO C[N@H+]1CC[C@]2(CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)C1 ZINC000294027496 214218458 /nfs/dbraw/zinc/21/84/58/214218458.db2.gz ZNFVFESMGVBOSX-SFHVURJKSA-N 1 1 372.381 0.745 20 5 FCBDMO CCc1cc(N2CC[NH2+][C@@H](C(N)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299045414 214656477 /nfs/dbraw/zinc/65/64/77/214656477.db2.gz FJIFTJFUPAHNNA-CQSZACIVSA-N 1 1 356.386 0.878 20 5 FCBDMO C[C@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)C[NH+]1CCOCC1 ZINC000265615766 210179614 /nfs/dbraw/zinc/17/96/14/210179614.db2.gz WIPQCSIJDHHZEX-LLVKDONJSA-N 1 1 358.420 0.622 20 5 FCBDMO Cc1c(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000265335137 210098349 /nfs/dbraw/zinc/09/83/49/210098349.db2.gz HISJSNOOZUIEDF-HOCLYGCPSA-N 1 1 369.443 0.491 20 5 FCBDMO C[N@@H+](CCCO)C1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000265202229 210072625 /nfs/dbraw/zinc/07/26/25/210072625.db2.gz JXQXKDCJMGOXJS-UHFFFAOYSA-N 1 1 372.447 0.525 20 5 FCBDMO C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@H+]1C ZINC000332396616 215143552 /nfs/dbraw/zinc/14/35/52/215143552.db2.gz WZLVPKBKJRQPRN-NEPJUHHUSA-N 1 1 362.386 0.871 20 5 FCBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285760912 213391046 /nfs/dbraw/zinc/39/10/46/213391046.db2.gz LZGIYYOMNCURNF-HUUCEWRRSA-N 1 1 362.386 0.256 20 5 FCBDMO C[C@@H]1C[N@@H+](C2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000360889871 215373499 /nfs/dbraw/zinc/37/34/99/215373499.db2.gz WBERQHGAROLFNH-CZUORRHYSA-N 1 1 353.423 0.337 20 5 FCBDMO C[C@@H]1C[N@H+](C2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000360889871 215373502 /nfs/dbraw/zinc/37/35/02/215373502.db2.gz WBERQHGAROLFNH-CZUORRHYSA-N 1 1 353.423 0.337 20 5 FCBDMO COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285373645 213332034 /nfs/dbraw/zinc/33/20/34/213332034.db2.gz RCJZVHKJYDMYAA-LBPRGKRZSA-N 1 1 352.391 0.930 20 5 FCBDMO COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285373645 213332036 /nfs/dbraw/zinc/33/20/36/213332036.db2.gz RCJZVHKJYDMYAA-LBPRGKRZSA-N 1 1 352.391 0.930 20 5 FCBDMO COCC[N@H+]1CC[C@@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000366919085 216051052 /nfs/dbraw/zinc/05/10/52/216051052.db2.gz YAHUCEQNPPROCK-CYBMUJFWSA-N 1 1 366.422 0.859 20 5 FCBDMO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000193687512 209316553 /nfs/dbraw/zinc/31/65/53/209316553.db2.gz PCPJNWZOWKHWAR-LBPRGKRZSA-N 1 1 374.401 0.931 20 5 FCBDMO CCc1[nH]nc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000369143245 216353034 /nfs/dbraw/zinc/35/30/34/216353034.db2.gz JKHFBJFKMJVBQZ-LBPRGKRZSA-N 1 1 364.406 0.435 20 5 FCBDMO CCc1n[nH]c(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000369143245 216353036 /nfs/dbraw/zinc/35/30/36/216353036.db2.gz JKHFBJFKMJVBQZ-LBPRGKRZSA-N 1 1 364.406 0.435 20 5 FCBDMO CCc1n[nH]c(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000369143245 216353041 /nfs/dbraw/zinc/35/30/41/216353041.db2.gz JKHFBJFKMJVBQZ-LBPRGKRZSA-N 1 1 364.406 0.435 20 5 FCBDMO C[C@@H](O)C[N@H+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000189926756 209263592 /nfs/dbraw/zinc/26/35/92/209263592.db2.gz FNAVJIKCRNIMRU-ZIAGYGMSSA-N 1 1 362.430 0.871 20 5 FCBDMO Cc1c(C(=O)NCC[N@@H+]2CCCOCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000189436698 209252537 /nfs/dbraw/zinc/25/25/37/209252537.db2.gz DENLWNGGKROSOF-UHFFFAOYSA-N 1 1 374.401 0.936 20 5 FCBDMO Cc1c(C(=O)NCC[N@H+]2CCCOCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000189436698 209252540 /nfs/dbraw/zinc/25/25/40/209252540.db2.gz DENLWNGGKROSOF-UHFFFAOYSA-N 1 1 374.401 0.936 20 5 FCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000276627992 212268331 /nfs/dbraw/zinc/26/83/31/212268331.db2.gz PAHBEPQIQQEITB-OLZOCXBDSA-N 1 1 364.402 0.238 20 5 FCBDMO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CCS(=O)(=O)C1 ZINC000276485531 212241346 /nfs/dbraw/zinc/24/13/46/212241346.db2.gz GVMORXFQPMURKP-GFCCVEGCSA-N 1 1 370.431 0.368 20 5 FCBDMO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CCS(=O)(=O)C1 ZINC000276485534 212241407 /nfs/dbraw/zinc/24/14/07/212241407.db2.gz GVMORXFQPMURKP-LBPRGKRZSA-N 1 1 370.431 0.368 20 5 FCBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000276223048 212190259 /nfs/dbraw/zinc/19/02/59/212190259.db2.gz NBIBVRRZAGSNKT-LBPRGKRZSA-N 1 1 369.399 0.850 20 5 FCBDMO COCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H](C)C(N)=O ZINC000275463633 212031691 /nfs/dbraw/zinc/03/16/91/212031691.db2.gz KMGAWLGREMWSLX-JTQLQIEISA-N 1 1 356.354 0.885 20 5 FCBDMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000275440712 212028300 /nfs/dbraw/zinc/02/83/00/212028300.db2.gz LZXKPTJQSAUCEK-WBMJQRKESA-N 1 1 362.386 0.613 20 5 FCBDMO [NH3+]CC(=O)N1CCC[C@H](CN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000414677122 245312472 /nfs/dbraw/zinc/31/24/72/245312472.db2.gz WBVVRCPHANYAEK-OAHLLOKOSA-N 1 1 361.446 0.914 20 5 FCBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000374362785 217121980 /nfs/dbraw/zinc/12/19/80/217121980.db2.gz AAEDOLKWZGTXNO-SNVBAGLBSA-N 1 1 351.388 0.970 20 5 FCBDMO O=C1Nc2ccccc2[C@]12CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000375319650 217249807 /nfs/dbraw/zinc/24/98/07/217249807.db2.gz NDOWWSVJENHYJA-SUMWQHHRSA-N 1 1 357.370 0.748 20 5 FCBDMO CC(C)[N@@H+](C)CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000444173339 248349976 /nfs/dbraw/zinc/34/99/76/248349976.db2.gz CSLJNYHFRBNASM-UHFFFAOYSA-N 1 1 359.404 0.985 20 5 FCBDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000444388039 248357944 /nfs/dbraw/zinc/35/79/44/248357944.db2.gz ZOPLYQGFBYOOPK-GFCCVEGCSA-N 1 1 352.391 0.060 20 5 FCBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000444388039 248357946 /nfs/dbraw/zinc/35/79/46/248357946.db2.gz ZOPLYQGFBYOOPK-GFCCVEGCSA-N 1 1 352.391 0.060 20 5 FCBDMO CC[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1O ZINC000270982338 211312777 /nfs/dbraw/zinc/31/27/77/211312777.db2.gz XKFZIVFTMGELTL-RHSMWYFYSA-N 1 1 362.430 0.946 20 5 FCBDMO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCN1c1nccn2cnnc12 ZINC000269698366 211048738 /nfs/dbraw/zinc/04/87/38/211048738.db2.gz XVTZCEFEAUPYLI-GFCCVEGCSA-N 1 1 357.378 0.440 20 5 FCBDMO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCN1c1nccn2cnnc12 ZINC000269698366 211048741 /nfs/dbraw/zinc/04/87/41/211048741.db2.gz XVTZCEFEAUPYLI-GFCCVEGCSA-N 1 1 357.378 0.440 20 5 FCBDMO Cn1cc(N2CC[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000080624826 208093092 /nfs/dbraw/zinc/09/30/92/208093092.db2.gz JRSDLMNOBIVURX-MRXNPFEDSA-N 1 1 361.402 0.890 20 5 FCBDMO CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N(C)OC)CC1 ZINC000266884105 210426525 /nfs/dbraw/zinc/42/65/25/210426525.db2.gz YQBXBYREEQHROQ-UHFFFAOYSA-N 1 1 358.420 0.919 20 5 FCBDMO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H](O)COCc1ccccc1 ZINC000266549385 210354894 /nfs/dbraw/zinc/35/48/94/210354894.db2.gz TWRGSCVMJZPYPG-SJORKVTESA-N 1 1 364.402 0.662 20 5 FCBDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000266249399 210310638 /nfs/dbraw/zinc/31/06/38/210310638.db2.gz XJSCYUGPLHHROI-UHFFFAOYSA-N 1 1 361.420 0.850 20 5 FCBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266269167 210312323 /nfs/dbraw/zinc/31/23/23/210312323.db2.gz QVJLHYAHXQVDLE-GFCCVEGCSA-N 1 1 370.431 0.401 20 5 FCBDMO COC(=O)[C@@H]1CN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000411924060 533487260 /nfs/dbraw/zinc/48/72/60/533487260.db2.gz XHZMZWBFRWPIGO-ZDUSSCGKSA-N 1 1 364.402 0.878 20 5 FCBDMO C[C@H](O)C[NH+]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000189736297 229257200 /nfs/dbraw/zinc/25/72/00/229257200.db2.gz IKAACNISXNDLQL-ZDUSSCGKSA-N 1 1 359.386 0.919 20 5 FCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(F)c1 ZINC000363690628 488874050 /nfs/dbraw/zinc/87/40/50/488874050.db2.gz IVZHBDNKUPPBAG-NEPJUHHUSA-N 1 1 359.379 0.875 20 5 FCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(F)c1 ZINC000363690628 488874051 /nfs/dbraw/zinc/87/40/51/488874051.db2.gz IVZHBDNKUPPBAG-NEPJUHHUSA-N 1 1 359.379 0.875 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364205212 488935447 /nfs/dbraw/zinc/93/54/47/488935447.db2.gz FVPUSROUSRBKRH-CYBMUJFWSA-N 1 1 350.423 0.384 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364205212 488935448 /nfs/dbraw/zinc/93/54/48/488935448.db2.gz FVPUSROUSRBKRH-CYBMUJFWSA-N 1 1 350.423 0.384 20 5 FCBDMO CCN1CC[NH+](CCCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000029622903 487727937 /nfs/dbraw/zinc/72/79/37/487727937.db2.gz BMGTYVZHAHIFIX-UHFFFAOYSA-N 1 1 371.463 0.682 20 5 FCBDMO C[C@H](CN1CCOCC1)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000279690388 488961898 /nfs/dbraw/zinc/96/18/98/488961898.db2.gz HNWGJRMGGXIQFV-ZBFHGGJFSA-N 1 1 353.419 0.987 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000051131808 488124929 /nfs/dbraw/zinc/12/49/29/488124929.db2.gz WTEVPUSZOJZQIM-ZDUSSCGKSA-N 1 1 352.347 0.118 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000051131808 488124932 /nfs/dbraw/zinc/12/49/32/488124932.db2.gz WTEVPUSZOJZQIM-ZDUSSCGKSA-N 1 1 352.347 0.118 20 5 FCBDMO C[NH+](C)CCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CCS(=O)(=O)C1 ZINC000268159145 488391342 /nfs/dbraw/zinc/39/13/42/488391342.db2.gz HSNDDHGEPFSWDT-LLVKDONJSA-N 1 1 370.431 0.368 20 5 FCBDMO Cc1nn(CCC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000184347975 488395857 /nfs/dbraw/zinc/39/58/57/488395857.db2.gz RFKAQSNTUDPQCW-CYBMUJFWSA-N 1 1 366.466 0.940 20 5 FCBDMO Cc1nn(CCC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000184347956 488395939 /nfs/dbraw/zinc/39/59/39/488395939.db2.gz RFKAQSNTUDPQCW-ZDUSSCGKSA-N 1 1 366.466 0.940 20 5 FCBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000195458636 488437456 /nfs/dbraw/zinc/43/74/56/488437456.db2.gz XXIBIEGXJHQSIL-GASCZTMLSA-N 1 1 364.450 0.808 20 5 FCBDMO O=[N+]([O-])c1ccc2oc(C[N@H+](CCO)CCN3CCOCC3)nc2c1 ZINC000086169009 488452668 /nfs/dbraw/zinc/45/26/68/488452668.db2.gz NLBDOMOANJWCKG-UHFFFAOYSA-N 1 1 350.375 0.863 20 5 FCBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+](CCO)CCN3CCOCC3)nc2c1 ZINC000086169009 488452669 /nfs/dbraw/zinc/45/26/69/488452669.db2.gz NLBDOMOANJWCKG-UHFFFAOYSA-N 1 1 350.375 0.863 20 5 FCBDMO Cc1n[nH]c(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000089962360 488459258 /nfs/dbraw/zinc/45/92/58/488459258.db2.gz FAFQSEGQRVFPEC-UONOGXRCSA-N 1 1 359.386 0.992 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000246715205 488474830 /nfs/dbraw/zinc/47/48/30/488474830.db2.gz KUHVOCLBISBFBY-OCCSQVGLSA-N 1 1 361.406 0.570 20 5 FCBDMO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247451232 488485428 /nfs/dbraw/zinc/48/54/28/488485428.db2.gz HNFZZNDGHQLKLW-HIFRSBDPSA-N 1 1 363.374 0.526 20 5 FCBDMO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247451232 488485430 /nfs/dbraw/zinc/48/54/30/488485430.db2.gz HNFZZNDGHQLKLW-HIFRSBDPSA-N 1 1 363.374 0.526 20 5 FCBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247493053 488486359 /nfs/dbraw/zinc/48/63/59/488486359.db2.gz LCZJDDGYYZCAFT-DZGCQCFKSA-N 1 1 353.423 0.781 20 5 FCBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000271695851 488539160 /nfs/dbraw/zinc/53/91/60/488539160.db2.gz JYARHFACROIBED-UHFFFAOYSA-N 1 1 364.402 0.989 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000569962449 491206700 /nfs/dbraw/zinc/20/67/00/491206700.db2.gz YCGLOZIIOJHFON-BZUAXINKSA-N 1 1 353.423 0.120 20 5 FCBDMO C[C@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@H]1C[N@H+](C)CCO1 ZINC000126994574 488613257 /nfs/dbraw/zinc/61/32/57/488613257.db2.gz QGIILSLIFLEPJN-IINYFYTJSA-N 1 1 364.358 0.338 20 5 FCBDMO C[C@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@H]1C[N@@H+](C)CCO1 ZINC000126994574 488613258 /nfs/dbraw/zinc/61/32/58/488613258.db2.gz QGIILSLIFLEPJN-IINYFYTJSA-N 1 1 364.358 0.338 20 5 FCBDMO COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000272905420 488616092 /nfs/dbraw/zinc/61/60/92/488616092.db2.gz KTSHAGCLOWBISZ-UHFFFAOYSA-N 1 1 368.390 0.626 20 5 FCBDMO CNC(=O)[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000272924252 488617499 /nfs/dbraw/zinc/61/74/99/488617499.db2.gz UFAFKUQBJYNWIE-CQSZACIVSA-N 1 1 350.375 0.679 20 5 FCBDMO CNC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000272924252 488617501 /nfs/dbraw/zinc/61/75/01/488617501.db2.gz UFAFKUQBJYNWIE-CQSZACIVSA-N 1 1 350.375 0.679 20 5 FCBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000128352937 488623828 /nfs/dbraw/zinc/62/38/28/488623828.db2.gz LYIQIFCWGVDPTG-BETUJISGSA-N 1 1 350.423 0.949 20 5 FCBDMO O=C1CCN(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000273057226 488628609 /nfs/dbraw/zinc/62/86/09/488628609.db2.gz ILTIMAFXJJBLLF-UHFFFAOYSA-N 1 1 356.404 0.085 20 5 FCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000129937936 488634900 /nfs/dbraw/zinc/63/49/00/488634900.db2.gz DRLYTSHNGVAMJD-KGLIPLIRSA-N 1 1 359.386 0.694 20 5 FCBDMO CCN1CC[NH+](Cc2ccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)cc2)CC1 ZINC000130047061 488635290 /nfs/dbraw/zinc/63/52/90/488635290.db2.gz KCLTWZMZGGHTKH-UHFFFAOYSA-N 1 1 373.417 0.963 20 5 FCBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000263974302 488640118 /nfs/dbraw/zinc/64/01/18/488640118.db2.gz WYLMVUVPSKWZAH-AWEZNQCLSA-N 1 1 363.418 0.850 20 5 FCBDMO C[N@@H+]1Cc2ccc(NC(=O)C(=O)NCCn3cc([N+](=O)[O-])cn3)cc2C1 ZINC000131682033 488647580 /nfs/dbraw/zinc/64/75/80/488647580.db2.gz FLPUVUHVKGYSTA-UHFFFAOYSA-N 1 1 358.358 0.492 20 5 FCBDMO C[N@H+]1Cc2ccc(NC(=O)C(=O)NCCn3cc([N+](=O)[O-])cn3)cc2C1 ZINC000131682033 488647581 /nfs/dbraw/zinc/64/75/81/488647581.db2.gz FLPUVUHVKGYSTA-UHFFFAOYSA-N 1 1 358.358 0.492 20 5 FCBDMO NS(=O)(=O)c1c(NC[C@H]2CCC[N@H+]2CCCO)cccc1[N+](=O)[O-] ZINC000570016171 491210197 /nfs/dbraw/zinc/21/01/97/491210197.db2.gz YOWZPLLXJYODEC-LLVKDONJSA-N 1 1 358.420 0.501 20 5 FCBDMO CC(C)C[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000133052149 488657218 /nfs/dbraw/zinc/65/72/18/488657218.db2.gz HUUJGJHYFGEDCM-AWEZNQCLSA-N 1 1 368.438 0.837 20 5 FCBDMO Cc1nn(CCC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000264454085 488675103 /nfs/dbraw/zinc/67/51/03/488675103.db2.gz QMKRKPFDPGYSER-GFCCVEGCSA-N 1 1 352.439 0.550 20 5 FCBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000264504980 488680662 /nfs/dbraw/zinc/68/06/62/488680662.db2.gz 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NC(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264617321 488690943 /nfs/dbraw/zinc/69/09/43/488690943.db2.gz QZAKSDPGOFCEDP-AWEZNQCLSA-N 1 1 370.431 0.354 20 5 FCBDMO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264671299 488696661 /nfs/dbraw/zinc/69/66/61/488696661.db2.gz AXBXCFCWTYEIGR-NSHDSACASA-N 1 1 350.375 0.342 20 5 FCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264671299 488696664 /nfs/dbraw/zinc/69/66/64/488696664.db2.gz AXBXCFCWTYEIGR-NSHDSACASA-N 1 1 350.375 0.342 20 5 FCBDMO COc1ccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000264725691 488703480 /nfs/dbraw/zinc/70/34/80/488703480.db2.gz MATZLERBHOPEEE-CYBMUJFWSA-N 1 1 351.407 0.648 20 5 FCBDMO O=C(NCC[NH+]1CCSCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000264812370 488714863 /nfs/dbraw/zinc/71/48/63/488714863.db2.gz PFLOIXFDQYYCGP-UHFFFAOYSA-N 1 1 362.415 0.954 20 5 FCBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000152590004 488720188 /nfs/dbraw/zinc/72/01/88/488720188.db2.gz DZPJNWCHACLFPJ-MRXNPFEDSA-N 1 1 360.414 0.902 20 5 FCBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000266855254 488737528 /nfs/dbraw/zinc/73/75/28/488737528.db2.gz SPWSUEKVUIUIFT-NSHDSACASA-N 1 1 370.431 0.765 20 5 FCBDMO Cc1c(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000266891163 488741141 /nfs/dbraw/zinc/74/11/41/488741141.db2.gz MGWFGZWJWSUCKX-NSHDSACASA-N 1 1 370.431 0.717 20 5 FCBDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000266897041 488741629 /nfs/dbraw/zinc/74/16/29/488741629.db2.gz GMYANCPFIISICT-LLVKDONJSA-N 1 1 353.379 0.196 20 5 FCBDMO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000160038656 488789111 /nfs/dbraw/zinc/78/91/11/488789111.db2.gz BIKQIPFAXVKSSD-UHFFFAOYSA-N 1 1 358.402 0.866 20 5 FCBDMO CCc1nsc(N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000174803303 488851324 /nfs/dbraw/zinc/85/13/24/488851324.db2.gz JMRPKOGCDPHLGZ-GFCCVEGCSA-N 1 1 367.435 0.388 20 5 FCBDMO CNC(=O)[C@]1(C)CC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000280305171 488996785 /nfs/dbraw/zinc/99/67/85/488996785.db2.gz BRBHERPVTKSVBK-CXAGYDPISA-N 1 1 360.370 0.685 20 5 FCBDMO COC(=O)[C@@H]1C[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000281294674 489065175 /nfs/dbraw/zinc/06/51/75/489065175.db2.gz YHQLIDGEQZXKMY-HONMWMINSA-N 1 1 361.354 0.968 20 5 FCBDMO COC(=O)[C@@H]1C[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000281294674 489065178 /nfs/dbraw/zinc/06/51/78/489065178.db2.gz YHQLIDGEQZXKMY-HONMWMINSA-N 1 1 361.354 0.968 20 5 FCBDMO C[N@H+]1CCN(CCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1(C)C ZINC000281559002 489086023 /nfs/dbraw/zinc/08/60/23/489086023.db2.gz CWBOWAHGUINTHP-UHFFFAOYSA-N 1 1 371.463 0.680 20 5 FCBDMO C[C@H]1C[N@H+](C)CCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000330679444 489131870 /nfs/dbraw/zinc/13/18/70/489131870.db2.gz XQQWSBGKKYOTLH-LBPRGKRZSA-N 1 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CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+](C)CCOC ZINC000290755610 489163403 /nfs/dbraw/zinc/16/34/03/489163403.db2.gz JVXQALUOWQBFLJ-UHFFFAOYSA-N 1 1 352.391 0.790 20 5 FCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000366423371 489180390 /nfs/dbraw/zinc/18/03/90/489180390.db2.gz JETXVTIXDCVENS-GJZGRUSLSA-N 1 1 366.422 0.734 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366542938 489193348 /nfs/dbraw/zinc/19/33/48/489193348.db2.gz YGDSVDDDZRGUDN-AWEZNQCLSA-N 1 1 364.402 0.948 20 5 FCBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000297978163 489271366 /nfs/dbraw/zinc/27/13/66/489271366.db2.gz VXMDDJYAOFGCQX-UHFFFAOYSA-N 1 1 364.402 0.989 20 5 FCBDMO C[NH+](C)CCN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000298083852 489288130 /nfs/dbraw/zinc/28/81/30/489288130.db2.gz JNYJTFGHCWRRPP-CQSZACIVSA-N 1 1 369.443 0.715 20 5 FCBDMO COc1ccc(NC(=O)CC[N@@H+](C[C@H](C)O)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000298499575 489332126 /nfs/dbraw/zinc/33/21/26/489332126.db2.gz JZERZPJKUXGCBC-NEPJUHHUSA-N 1 1 355.391 0.996 20 5 FCBDMO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000298807014 489367959 /nfs/dbraw/zinc/36/79/59/489367959.db2.gz HJNRCCGIJJRONK-LBPRGKRZSA-N 1 1 373.406 0.925 20 5 FCBDMO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000298807008 489368234 /nfs/dbraw/zinc/36/82/34/489368234.db2.gz HJNRCCGIJJRONK-GFCCVEGCSA-N 1 1 373.406 0.925 20 5 FCBDMO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000371027291 489440265 /nfs/dbraw/zinc/44/02/65/489440265.db2.gz HDDYTQCTXBIIMB-GFCCVEGCSA-N 1 1 354.432 0.793 20 5 FCBDMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000371027291 489440268 /nfs/dbraw/zinc/44/02/68/489440268.db2.gz HDDYTQCTXBIIMB-GFCCVEGCSA-N 1 1 354.432 0.793 20 5 FCBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000363266197 489447004 /nfs/dbraw/zinc/44/70/04/489447004.db2.gz OCBQRMXVCZXJSG-INIZCTEOSA-N 1 1 362.430 0.660 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363540605 489477458 /nfs/dbraw/zinc/47/74/58/489477458.db2.gz YQVHWVGBNFHDME-AWEZNQCLSA-N 1 1 350.423 0.338 20 5 FCBDMO Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])nn1 ZINC000414389354 489498103 /nfs/dbraw/zinc/49/81/03/489498103.db2.gz FTYLDFGLKYROFH-UHFFFAOYSA-N 1 1 351.388 0.761 20 5 FCBDMO O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000451673453 489516707 /nfs/dbraw/zinc/51/67/07/489516707.db2.gz VRRKUJPXYCNKRM-HNNXBMFYSA-N 1 1 371.459 0.904 20 5 FCBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[NH+]2CCC(O)CC2)c1 ZINC000452000111 489537640 /nfs/dbraw/zinc/53/76/40/489537640.db2.gz UXFYJOZPLWWTSB-UHFFFAOYSA-N 1 1 357.432 0.947 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000452079944 489543686 /nfs/dbraw/zinc/54/36/86/489543686.db2.gz GNKXZUMPUCUTIJ-ZDUSSCGKSA-N 1 1 350.375 0.808 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000452079944 489543688 /nfs/dbraw/zinc/54/36/88/489543688.db2.gz GNKXZUMPUCUTIJ-ZDUSSCGKSA-N 1 1 350.375 0.808 20 5 FCBDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000372157761 489553653 /nfs/dbraw/zinc/55/36/53/489553653.db2.gz QSASZYSAXHJYBR-CYBMUJFWSA-N 1 1 370.431 0.855 20 5 FCBDMO NC(=O)c1ccc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000372428393 489583520 /nfs/dbraw/zinc/58/35/20/489583520.db2.gz OCYZGFXYHJENID-CQSZACIVSA-N 1 1 361.402 0.612 20 5 FCBDMO C[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000456211100 489610324 /nfs/dbraw/zinc/61/03/24/489610324.db2.gz NGKZVSFJGDGVDN-OKILXGFUSA-N 1 1 350.419 0.945 20 5 FCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000457104052 489635534 /nfs/dbraw/zinc/63/55/34/489635534.db2.gz CUSAEJYWFXEMHS-CHWSQXEVSA-N 1 1 364.402 0.238 20 5 FCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000457104052 489635537 /nfs/dbraw/zinc/63/55/37/489635537.db2.gz CUSAEJYWFXEMHS-CHWSQXEVSA-N 1 1 364.402 0.238 20 5 FCBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000457125261 489637594 /nfs/dbraw/zinc/63/75/94/489637594.db2.gz NZDGWGHDJDNBHQ-LBPRGKRZSA-N 1 1 365.386 0.434 20 5 FCBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000457125261 489637596 /nfs/dbraw/zinc/63/75/96/489637596.db2.gz NZDGWGHDJDNBHQ-LBPRGKRZSA-N 1 1 365.386 0.434 20 5 FCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000372806972 489638046 /nfs/dbraw/zinc/63/80/46/489638046.db2.gz POCFZQSDOOUNLF-CABCVRRESA-N 1 1 351.407 0.941 20 5 FCBDMO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000372818623 489639470 /nfs/dbraw/zinc/63/94/70/489639470.db2.gz AMUVSWYVCVPFHN-CVEARBPZSA-N 1 1 369.443 0.920 20 5 FCBDMO C[C@@H](C(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000555736810 491269561 /nfs/dbraw/zinc/26/95/61/491269561.db2.gz NJGXHYHCXSUSSK-DYVFJYSZSA-N 1 1 351.403 0.898 20 5 FCBDMO CNS(=O)(=O)c1ccc(N2CC[NH+](C[C@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000489932342 489735744 /nfs/dbraw/zinc/73/57/44/489735744.db2.gz DYEGLQUBVBQOBD-NSHDSACASA-N 1 1 358.420 0.006 20 5 FCBDMO COC(=O)CN(C)C(=O)CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459507587 489736051 /nfs/dbraw/zinc/73/60/51/489736051.db2.gz KSKRCGYWGLGZFD-UHFFFAOYSA-N 1 1 365.390 0.133 20 5 FCBDMO CC(C)[C@@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC[N@H+]1C ZINC000490293182 489759911 /nfs/dbraw/zinc/75/99/11/489759911.db2.gz XGZODQXMCDJOPP-AWEZNQCLSA-N 1 1 374.397 0.989 20 5 FCBDMO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1N1CCN(C)CC1 ZINC000490653770 489779224 /nfs/dbraw/zinc/77/92/24/489779224.db2.gz YIOFEHCADNPRPT-PVAVHDDUSA-N 1 1 366.466 0.110 20 5 FCBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1N1CCN(C)CC1 ZINC000490653770 489779228 /nfs/dbraw/zinc/77/92/28/489779228.db2.gz YIOFEHCADNPRPT-PVAVHDDUSA-N 1 1 366.466 0.110 20 5 FCBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000474800420 489786281 /nfs/dbraw/zinc/78/62/81/489786281.db2.gz HNNSFIHQVIFCLG-UHFFFAOYSA-N 1 1 365.434 0.289 20 5 FCBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000475569003 489836812 /nfs/dbraw/zinc/83/68/12/489836812.db2.gz HSMRXVUIUXEARG-LBPRGKRZSA-N 1 1 351.359 0.844 20 5 FCBDMO O=C(Cc1ccccc1[N+](=O)[O-])NCCCCN1CC[NH+](CCO)CC1 ZINC000432529679 489846334 /nfs/dbraw/zinc/84/63/34/489846334.db2.gz YSDKLQRDYFPLPQ-UHFFFAOYSA-N 1 1 364.446 0.644 20 5 FCBDMO COc1c(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000475764404 489846830 /nfs/dbraw/zinc/84/68/30/489846830.db2.gz BBTGBSXDNQPWKF-UHFFFAOYSA-N 1 1 364.402 0.886 20 5 FCBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NCCCCN1CC[NH+](CCO)CC1 ZINC000432539994 489847716 /nfs/dbraw/zinc/84/77/16/489847716.db2.gz FOSNBBZLKBWBGA-UHFFFAOYSA-N 1 1 364.446 0.644 20 5 FCBDMO CNc1nccc(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000571059819 491283468 /nfs/dbraw/zinc/28/34/68/491283468.db2.gz WMCAOZTWNRDHSY-GFCCVEGCSA-N 1 1 351.407 1.262 20 5 FCBDMO CS[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1N1CCCC1 ZINC000460360499 489865327 /nfs/dbraw/zinc/86/53/27/489865327.db2.gz DMMCLZXTRANRLN-SOUVJXGZSA-N 1 1 355.464 0.664 20 5 FCBDMO CS[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1N1CCCC1 ZINC000460360499 489865329 /nfs/dbraw/zinc/86/53/29/489865329.db2.gz DMMCLZXTRANRLN-SOUVJXGZSA-N 1 1 355.464 0.664 20 5 FCBDMO NC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC[NH2+]1 ZINC000462446073 489975821 /nfs/dbraw/zinc/97/58/21/489975821.db2.gz OSCVOPZGMWRUFV-ZDUSSCGKSA-N 1 1 357.370 0.832 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000437708909 490027189 /nfs/dbraw/zinc/02/71/89/490027189.db2.gz ZEIVKLCUTCHMPV-MRXNPFEDSA-N 1 1 368.390 0.808 20 5 FCBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCn1ccnc1 ZINC000420972288 490037083 /nfs/dbraw/zinc/03/70/83/490037083.db2.gz KCTAIFXYPWKRJR-UHFFFAOYSA-N 1 1 353.404 0.702 20 5 FCBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCn1ccnc1 ZINC000420972288 490037085 /nfs/dbraw/zinc/03/70/85/490037085.db2.gz KCTAIFXYPWKRJR-UHFFFAOYSA-N 1 1 353.404 0.702 20 5 FCBDMO COC(=O)C[C@]1([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000464626396 490063032 /nfs/dbraw/zinc/06/30/32/490063032.db2.gz LLYITOWFMVAOMH-OAHLLOKOSA-N 1 1 372.399 0.680 20 5 FCBDMO COC(=O)[C@@H](NC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(C)C ZINC000564404652 491305541 /nfs/dbraw/zinc/30/55/41/491305541.db2.gz SSHUKQJKHUWHFE-HNNXBMFYSA-N 1 1 367.406 0.742 20 5 FCBDMO COc1cc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000480507273 490205178 /nfs/dbraw/zinc/20/51/78/490205178.db2.gz XHRTVCCOSNHYCW-INIZCTEOSA-N 1 1 353.375 0.416 20 5 FCBDMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533379629 490224097 /nfs/dbraw/zinc/22/40/97/490224097.db2.gz WZSAKFLPYODMNN-CMPLNLGQSA-N 1 1 362.390 0.853 20 5 FCBDMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533379629 490224100 /nfs/dbraw/zinc/22/41/00/490224100.db2.gz WZSAKFLPYODMNN-CMPLNLGQSA-N 1 1 362.390 0.853 20 5 FCBDMO C[C@H](O)C[NH+]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447811642 490278886 /nfs/dbraw/zinc/27/88/86/490278886.db2.gz GZKIKFCTEFLDHJ-HNNXBMFYSA-N 1 1 364.446 0.930 20 5 FCBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](S(N)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000533846559 490291307 /nfs/dbraw/zinc/29/13/07/490291307.db2.gz ZHFNCAKOVUTSKM-NSHDSACASA-N 1 1 356.404 0.595 20 5 FCBDMO C[C@](O)(CNC(=O)COc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000467492290 490300365 /nfs/dbraw/zinc/30/03/65/490300365.db2.gz BVUDANRTKOTTIX-INIZCTEOSA-N 1 1 353.375 0.173 20 5 FCBDMO COc1ccc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000467491866 490300792 /nfs/dbraw/zinc/30/07/92/490300792.db2.gz VCSNZZBAESMCIX-MRXNPFEDSA-N 1 1 353.375 0.416 20 5 FCBDMO COC(=O)c1cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC000521921667 490313097 /nfs/dbraw/zinc/31/30/97/490313097.db2.gz HQHLMYLKBOKQDT-AWEZNQCLSA-N 1 1 350.375 0.357 20 5 FCBDMO CC(C)[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000522479291 490381508 /nfs/dbraw/zinc/38/15/08/490381508.db2.gz OXUPXWCTLCLOHC-AWEZNQCLSA-N 1 1 353.423 0.999 20 5 FCBDMO O=C(CC[N@@H+](CCO)CCN1CCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411310849 490428583 /nfs/dbraw/zinc/42/85/83/490428583.db2.gz VLKIGBIJLINCBJ-UHFFFAOYSA-N 1 1 366.418 0.550 20 5 FCBDMO Nc1nccc(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000548386531 490477920 /nfs/dbraw/zinc/47/79/20/490477920.db2.gz CNKYQBMRYKATPU-AWEZNQCLSA-N 1 1 371.397 1.069 20 5 FCBDMO C[C@@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000450798321 490489262 /nfs/dbraw/zinc/48/92/62/490489262.db2.gz UTYVLUBBSQFKJS-PHIMTYICSA-N 1 1 358.420 0.134 20 5 FCBDMO C[C@@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000450798321 490489266 /nfs/dbraw/zinc/48/92/66/490489266.db2.gz UTYVLUBBSQFKJS-PHIMTYICSA-N 1 1 358.420 0.134 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+](C)C1 ZINC000413912493 490515177 /nfs/dbraw/zinc/51/51/77/490515177.db2.gz ZVPYXRLOUTXPFC-LBPRGKRZSA-N 1 1 353.350 0.840 20 5 FCBDMO COC(=O)[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC[N@@H+](C)C1 ZINC000413925784 490520781 /nfs/dbraw/zinc/52/07/81/490520781.db2.gz VAXVDKXBAYKJMR-GFCCVEGCSA-N 1 1 353.379 0.053 20 5 FCBDMO CCCc1n[nH]c(C(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)c1[N+](=O)[O-] ZINC000413926542 490522848 /nfs/dbraw/zinc/52/28/48/490522848.db2.gz WIAWDDUWUQXYAN-JTQLQIEISA-N 1 1 353.379 0.447 20 5 FCBDMO CCCc1n[nH]c(C(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)c1[N+](=O)[O-] ZINC000413926542 490522851 /nfs/dbraw/zinc/52/28/51/490522851.db2.gz WIAWDDUWUQXYAN-JTQLQIEISA-N 1 1 353.379 0.447 20 5 FCBDMO CCCc1[nH]nc(C(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)c1[N+](=O)[O-] ZINC000413926542 490522857 /nfs/dbraw/zinc/52/28/57/490522857.db2.gz WIAWDDUWUQXYAN-JTQLQIEISA-N 1 1 353.379 0.447 20 5 FCBDMO CCCc1[nH]nc(C(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)c1[N+](=O)[O-] ZINC000413926542 490522860 /nfs/dbraw/zinc/52/28/60/490522860.db2.gz WIAWDDUWUQXYAN-JTQLQIEISA-N 1 1 353.379 0.447 20 5 FCBDMO C[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CC[NH+](C)CC1 ZINC000524572340 490544982 /nfs/dbraw/zinc/54/49/82/490544982.db2.gz UVKPRKODKFKSMB-KGLIPLIRSA-N 1 1 362.434 0.639 20 5 FCBDMO C[C@@H]1CC[N@@H+](CCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000524721236 490554654 /nfs/dbraw/zinc/55/46/54/490554654.db2.gz CKNRFQJKSKMGHD-LLVKDONJSA-N 1 1 360.370 0.649 20 5 FCBDMO NS(=O)(=O)C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000511582085 490604678 /nfs/dbraw/zinc/60/46/78/490604678.db2.gz QZTQGPHHXBLINR-LBPRGKRZSA-N 1 1 370.431 0.924 20 5 FCBDMO CN1CCN(C(=O)CC[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000514085816 490761781 /nfs/dbraw/zinc/76/17/81/490761781.db2.gz ZDBKJBGARBCJGX-CQSZACIVSA-N 1 1 362.434 0.640 20 5 FCBDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)Cn3cnc([N+](=O)[O-])n3)c2)CCO1 ZINC000516358226 490861330 /nfs/dbraw/zinc/86/13/30/490861330.db2.gz CAZLAZRCQYRJOM-ZDUSSCGKSA-N 1 1 374.401 0.723 20 5 FCBDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)Cn3cnc([N+](=O)[O-])n3)c2)CCO1 ZINC000516358226 490861331 /nfs/dbraw/zinc/86/13/31/490861331.db2.gz CAZLAZRCQYRJOM-ZDUSSCGKSA-N 1 1 374.401 0.723 20 5 FCBDMO COCC[NH+]1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000543010444 490918878 /nfs/dbraw/zinc/91/88/78/490918878.db2.gz CRUKQKXDKIUGTJ-UHFFFAOYSA-N 1 1 364.402 0.424 20 5 FCBDMO C[N@H+]1CCC[C@@H](CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000518659440 490948270 /nfs/dbraw/zinc/94/82/70/490948270.db2.gz KZTFRJIRCJWKJB-AWEZNQCLSA-N 1 1 363.418 0.852 20 5 FCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000518888118 490954459 /nfs/dbraw/zinc/95/44/59/490954459.db2.gz DEWHAMWYOUWKNC-OAHLLOKOSA-N 1 1 358.402 0.756 20 5 FCBDMO Cc1[nH]nc(C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1[N+](=O)[O-] ZINC000531583281 490965643 /nfs/dbraw/zinc/96/56/43/490965643.db2.gz IBUYTTSMEAODRQ-CYBMUJFWSA-N 1 1 350.423 0.867 20 5 FCBDMO CCCc1[nH]nc(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1[N+](=O)[O-] ZINC000519599062 490978590 /nfs/dbraw/zinc/97/85/90/490978590.db2.gz HQRMNRAGLWYTAQ-LLVKDONJSA-N 1 1 362.394 0.798 20 5 FCBDMO CN(C)S(=O)(=O)c1ccc(NCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000532420198 490992708 /nfs/dbraw/zinc/99/27/08/490992708.db2.gz GRISRZUMOCZIFA-UHFFFAOYSA-N 1 1 372.447 0.979 20 5 FCBDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)CC1=O ZINC000573311195 491425578 /nfs/dbraw/zinc/42/55/78/491425578.db2.gz SYFQESUMMSULHV-GFCCVEGCSA-N 1 1 370.431 0.565 20 5 FCBDMO CC(C)[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCN(C)CC1 ZINC000574444905 491497283 /nfs/dbraw/zinc/49/72/83/491497283.db2.gz HJZGNPCDQANHLG-HZPDHXFCSA-N 1 1 354.455 0.014 20 5 FCBDMO Nc1nccc(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000574463843 491498970 /nfs/dbraw/zinc/49/89/70/491498970.db2.gz VVQKZCNNUIVGKR-SFHVURJKSA-N 1 1 371.397 0.939 20 5 FCBDMO COc1ccc(C(=O)NCC(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000584360564 491582940 /nfs/dbraw/zinc/58/29/40/491582940.db2.gz KXHVKPUUFHWOCB-UHFFFAOYSA-N 1 1 364.402 0.886 20 5 FCBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000576386236 491610475 /nfs/dbraw/zinc/61/04/75/491610475.db2.gz DGLXJLDHPNQAFJ-UHFFFAOYSA-N 1 1 350.375 0.497 20 5 FCBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C2)C1 ZINC000561773105 491629633 /nfs/dbraw/zinc/62/96/33/491629633.db2.gz HAPIOFAJAPISGP-OAHLLOKOSA-N 1 1 368.415 0.410 20 5 FCBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C2)C1 ZINC000561773103 491629864 /nfs/dbraw/zinc/62/98/64/491629864.db2.gz HAPIOFAJAPISGP-HNNXBMFYSA-N 1 1 368.415 0.410 20 5 FCBDMO Cc1c(CNC(=O)C(=O)NCC[NH+]2CCSCC2)cccc1[N+](=O)[O-] ZINC000578930121 491687276 /nfs/dbraw/zinc/68/72/76/491687276.db2.gz RTFLMURAIZWQSL-UHFFFAOYSA-N 1 1 366.443 0.684 20 5 FCBDMO C[C@H]1C[C@@H](NC(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C ZINC000588224628 491742452 /nfs/dbraw/zinc/74/24/52/491742452.db2.gz ZIWSTGVBKLHLTR-QWRGUYRKSA-N 1 1 374.401 0.686 20 5 FCBDMO Cc1c(CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000588777675 491749295 /nfs/dbraw/zinc/74/92/95/491749295.db2.gz SDUVXNAOWXHTJI-IUODEOHRSA-N 1 1 364.402 0.355 20 5 FCBDMO Cc1c(CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000588777675 491749296 /nfs/dbraw/zinc/74/92/96/491749296.db2.gz SDUVXNAOWXHTJI-IUODEOHRSA-N 1 1 364.402 0.355 20 5 FCBDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])CC1=O ZINC000588882244 491751081 /nfs/dbraw/zinc/75/10/81/491751081.db2.gz NSIGPEYLLQFKMS-ZDUSSCGKSA-N 1 1 364.402 0.504 20 5 FCBDMO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000590550337 491778686 /nfs/dbraw/zinc/77/86/86/491778686.db2.gz PTIWATAGWUCZRA-GJZGRUSLSA-N 1 1 372.385 0.457 20 5 FCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000590776529 491786336 /nfs/dbraw/zinc/78/63/36/491786336.db2.gz SGKQISVHCNDFDS-YNEHKIRRSA-N 1 1 350.423 0.990 20 5 FCBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000591016336 491793478 /nfs/dbraw/zinc/79/34/78/491793478.db2.gz QTXQHVMHIOWYNJ-IUODEOHRSA-N 1 1 364.402 0.985 20 5 FCBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000591016336 491793479 /nfs/dbraw/zinc/79/34/79/491793479.db2.gz QTXQHVMHIOWYNJ-IUODEOHRSA-N 1 1 364.402 0.985 20 5 FCBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000591016360 491793730 /nfs/dbraw/zinc/79/37/30/491793730.db2.gz YWZLPYMFLDWUKY-SWLSCSKDSA-N 1 1 364.402 0.985 20 5 FCBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000591016360 491793731 /nfs/dbraw/zinc/79/37/31/491793731.db2.gz YWZLPYMFLDWUKY-SWLSCSKDSA-N 1 1 364.402 0.985 20 5 FCBDMO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[NH2+]C[C@H]1C(F)F ZINC000582057595 491796182 /nfs/dbraw/zinc/79/61/82/491796182.db2.gz VGDCJYYGEIWAFD-NSHDSACASA-N 1 1 357.313 0.974 20 5 FCBDMO COC(=O)[C@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+](C)C1 ZINC000591263204 491800650 /nfs/dbraw/zinc/80/06/50/491800650.db2.gz KHCWZVWSUDUHJW-CYBMUJFWSA-N 1 1 365.386 0.903 20 5 FCBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000582406110 491811117 /nfs/dbraw/zinc/81/11/17/491811117.db2.gz HSFXQCNGKUBZQJ-HUUCEWRRSA-N 1 1 366.418 0.668 20 5 FCBDMO O=C(NCc1ccccc1)[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000592154037 491834615 /nfs/dbraw/zinc/83/46/15/491834615.db2.gz GLYADOBFLNJWSP-RDJZCZTQSA-N 1 1 373.413 0.791 20 5 FCBDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000592388995 491836478 /nfs/dbraw/zinc/83/64/78/491836478.db2.gz SOBCGABERIMPQT-ZDUSSCGKSA-N 1 1 357.388 0.262 20 5 FCBDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000592388604 491836567 /nfs/dbraw/zinc/83/65/67/491836567.db2.gz LWDWSWZXQODVFF-CYBMUJFWSA-N 1 1 371.415 0.737 20 5 FCBDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000592388795 491836585 /nfs/dbraw/zinc/83/65/85/491836585.db2.gz OHOFDPFZHFXSEG-LBPRGKRZSA-N 1 1 357.388 0.429 20 5 FCBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)CN2CCCCC2)c1 ZINC000583263675 491841162 /nfs/dbraw/zinc/84/11/62/491841162.db2.gz MXFJPRADIZBCGM-HZPDHXFCSA-N 1 1 353.419 0.771 20 5 FCBDMO CN(C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C)C1 ZINC000583553369 491847436 /nfs/dbraw/zinc/84/74/36/491847436.db2.gz YPCZDNUITDNQIC-NSHDSACASA-N 1 1 356.404 0.408 20 5 FCBDMO CNc1nccc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000583640321 491849169 /nfs/dbraw/zinc/84/91/69/491849169.db2.gz HPMBNZZNFYHQIL-LBPRGKRZSA-N 1 1 363.418 1.357 20 5 FCBDMO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600531025 491867137 /nfs/dbraw/zinc/86/71/37/491867137.db2.gz DGIVPUJWTSIACZ-GFCCVEGCSA-N 1 1 360.370 0.705 20 5 FCBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000600808824 491884077 /nfs/dbraw/zinc/88/40/77/491884077.db2.gz SHMPTOGWLFBCOZ-RYUDHWBXSA-N 1 1 354.411 0.010 20 5 FCBDMO CC1(C)CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000595127874 491887261 /nfs/dbraw/zinc/88/72/61/491887261.db2.gz SKBOLHAAMDJEHB-UHFFFAOYSA-N 1 1 357.388 0.739 20 5 FCBDMO CCOC(=O)CNC(=O)C1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595387002 491927195 /nfs/dbraw/zinc/92/71/95/491927195.db2.gz FSRQIILZYQFGEJ-UHFFFAOYSA-N 1 1 354.363 0.783 20 5 FCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000595470497 491933971 /nfs/dbraw/zinc/93/39/71/491933971.db2.gz ONGNRRCNCVCUDW-HNNXBMFYSA-N 1 1 350.419 0.943 20 5 FCBDMO O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595470497 491933974 /nfs/dbraw/zinc/93/39/74/491933974.db2.gz ONGNRRCNCVCUDW-HNNXBMFYSA-N 1 1 350.419 0.943 20 5 FCBDMO C[C@H]([C@H](C)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000596114692 491975776 /nfs/dbraw/zinc/97/57/76/491975776.db2.gz MXLJHUOXRLNKIR-WDEREUQCSA-N 1 1 358.420 0.763 20 5 FCBDMO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596434420 491985861 /nfs/dbraw/zinc/98/58/61/491985861.db2.gz YDLYASWHUADSDT-MNOVXSKESA-N 1 1 358.420 0.763 20 5 FCBDMO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596434420 491985863 /nfs/dbraw/zinc/98/58/63/491985863.db2.gz YDLYASWHUADSDT-MNOVXSKESA-N 1 1 358.420 0.763 20 5 FCBDMO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000598622880 492109556 /nfs/dbraw/zinc/10/95/56/492109556.db2.gz SPQDYEIUEQXJTF-UHFFFAOYSA-N 1 1 360.378 0.271 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000608866046 492194599 /nfs/dbraw/zinc/19/45/99/492194599.db2.gz XOWSSJVNEPVNOS-NSHDSACASA-N 1 1 374.401 0.788 20 5 FCBDMO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000608866046 492194602 /nfs/dbraw/zinc/19/46/02/492194602.db2.gz XOWSSJVNEPVNOS-NSHDSACASA-N 1 1 374.401 0.788 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000608866046 492194605 /nfs/dbraw/zinc/19/46/05/492194605.db2.gz XOWSSJVNEPVNOS-NSHDSACASA-N 1 1 374.401 0.788 20 5 FCBDMO CC[N@@H+](CCO)CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000599770229 492207031 /nfs/dbraw/zinc/20/70/31/492207031.db2.gz HUFDIAQKMWFHFV-UHFFFAOYSA-N 1 1 365.365 0.964 20 5 FCBDMO CNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000609543855 492213545 /nfs/dbraw/zinc/21/35/45/492213545.db2.gz YRUAUDXJNGTZLO-BXUZGUMPSA-N 1 1 360.370 0.685 20 5 FCBDMO CNC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000609543855 492213547 /nfs/dbraw/zinc/21/35/47/492213547.db2.gz YRUAUDXJNGTZLO-BXUZGUMPSA-N 1 1 360.370 0.685 20 5 FCBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000609664589 492217701 /nfs/dbraw/zinc/21/77/01/492217701.db2.gz AOGGHXAKNVODQD-CQSZACIVSA-N 1 1 364.450 0.765 20 5 FCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000609668062 492217705 /nfs/dbraw/zinc/21/77/05/492217705.db2.gz FAXRMHOYSKNTSE-ZDUSSCGKSA-N 1 1 351.407 0.070 20 5 FCBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000600096998 492244245 /nfs/dbraw/zinc/24/42/45/492244245.db2.gz CJFIDBDPLSXWHF-LBPRGKRZSA-N 1 1 350.375 0.333 20 5 FCBDMO C[N@H+]1CCC[C@@H]1CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000600271909 492255520 /nfs/dbraw/zinc/25/55/20/492255520.db2.gz HWIZYTLJURJYSB-LLVKDONJSA-N 1 1 356.404 0.084 20 5 FCBDMO 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ZINC000611515702 492289423 /nfs/dbraw/zinc/28/94/23/492289423.db2.gz KSZKCPQXYSKVND-UHFFFAOYSA-N 1 1 365.386 0.895 20 5 FCBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000592196546 546946095 /nfs/dbraw/zinc/94/60/95/546946095.db2.gz KZCLIONNOCNSTE-VXGBXAGGSA-N 1 1 354.359 0.838 20 5 FCBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000592202595 546946512 /nfs/dbraw/zinc/94/65/12/546946512.db2.gz FWPMEEFNQSCUBI-VXGBXAGGSA-N 1 1 351.359 0.779 20 5 FCBDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000592388208 546949598 /nfs/dbraw/zinc/94/95/98/546949598.db2.gz DGERJUWDIGPSFB-LBPRGKRZSA-N 1 1 357.388 0.429 20 5 FCBDMO CCCN(C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000592829707 546958419 /nfs/dbraw/zinc/95/84/19/546958419.db2.gz VUXQBRWKBFPUEV-LBPRGKRZSA-N 1 1 370.431 0.799 20 5 FCBDMO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000593674031 546989461 /nfs/dbraw/zinc/98/94/61/546989461.db2.gz LYWXLUWIXYAFJX-CHWSQXEVSA-N 1 1 354.359 0.728 20 5 FCBDMO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000593674031 546989465 /nfs/dbraw/zinc/98/94/65/546989465.db2.gz LYWXLUWIXYAFJX-CHWSQXEVSA-N 1 1 354.359 0.728 20 5 FCBDMO Cn1cc[nH+]c1N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000737615627 598933301 /nfs/dbraw/zinc/93/33/01/598933301.db2.gz JKWINSGVRGITEP-UHFFFAOYSA-N 1 1 355.362 0.835 20 5 FCBDMO O=C(C[NH+]1CCCC1)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000952718682 674480043 /nfs/dbraw/zinc/48/00/43/674480043.db2.gz KEMJGJPFENSFOB-LXTVHRRPSA-N 1 1 350.419 0.339 20 5 FCBDMO CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000956366273 674521928 /nfs/dbraw/zinc/52/19/28/674521928.db2.gz CNJFULBLCNIWDG-CHWSQXEVSA-N 1 1 350.419 0.245 20 5 FCBDMO C[N@H+]1CCCN(CCCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821625409 606704971 /nfs/dbraw/zinc/70/49/71/606704971.db2.gz NAJYHPHKRHSNMP-UHFFFAOYSA-N 1 1 361.410 0.609 20 5 FCBDMO CC(C)(C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)[NH+]1CCCCC1 ZINC000973254972 664084532 /nfs/dbraw/zinc/08/45/32/664084532.db2.gz RMJDLSQSCGCEQZ-AAVRWANBSA-N 1 1 352.435 0.680 20 5 FCBDMO Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020140067 664199414 /nfs/dbraw/zinc/19/94/14/664199414.db2.gz WNQREVRWRLWKBN-YJFSRANCSA-N 1 1 361.324 0.841 20 5 FCBDMO COc1ccc(CC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000896564058 665094721 /nfs/dbraw/zinc/09/47/21/665094721.db2.gz NNACJRPNNNUFTP-WFASDCNBSA-N 1 1 350.419 0.896 20 5 FCBDMO COc1ccc(CC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000896564058 665094725 /nfs/dbraw/zinc/09/47/25/665094725.db2.gz NNACJRPNNNUFTP-WFASDCNBSA-N 1 1 350.419 0.896 20 5 FCBDMO COc1ccc(CC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000896564058 665094727 /nfs/dbraw/zinc/09/47/27/665094727.db2.gz NNACJRPNNNUFTP-WFASDCNBSA-N 1 1 350.419 0.896 20 5 FCBDMO Cc1nn(CCC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)c(C)c1[N+](=O)[O-] ZINC000896565024 665095275 /nfs/dbraw/zinc/09/52/75/665095275.db2.gz UBLHOEZHBCXKSD-FZMZJTMJSA-N 1 1 352.439 0.549 20 5 FCBDMO Cc1nn(CCC(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)c(C)c1[N+](=O)[O-] ZINC000896565024 665095278 /nfs/dbraw/zinc/09/52/78/665095278.db2.gz UBLHOEZHBCXKSD-FZMZJTMJSA-N 1 1 352.439 0.549 20 5 FCBDMO Cc1nn(CCC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c(C)c1[N+](=O)[O-] ZINC000896565024 665095279 /nfs/dbraw/zinc/09/52/79/665095279.db2.gz UBLHOEZHBCXKSD-FZMZJTMJSA-N 1 1 352.439 0.549 20 5 FCBDMO Cc1nn(CCC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)c(C)c1[N+](=O)[O-] ZINC000896565024 665095281 /nfs/dbraw/zinc/09/52/81/665095281.db2.gz UBLHOEZHBCXKSD-FZMZJTMJSA-N 1 1 352.439 0.549 20 5 FCBDMO C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000896567005 665095311 /nfs/dbraw/zinc/09/53/11/665095311.db2.gz XVZMKTFMUOLDDH-XHDPSFHLSA-N 1 1 354.382 0.863 20 5 FCBDMO C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CN(C)CCN1C ZINC000896567005 665095313 /nfs/dbraw/zinc/09/53/13/665095313.db2.gz XVZMKTFMUOLDDH-XHDPSFHLSA-N 1 1 354.382 0.863 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@H+](C)C1 ZINC000840502920 666219555 /nfs/dbraw/zinc/21/95/55/666219555.db2.gz HPLMKHNSNRPQMR-VIFPVBQESA-N 1 1 354.338 0.493 20 5 FCBDMO COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@@H+](C)C1 ZINC000840502920 666219557 /nfs/dbraw/zinc/21/95/57/666219557.db2.gz HPLMKHNSNRPQMR-VIFPVBQESA-N 1 1 354.338 0.493 20 5 FCBDMO CCn1nnc(C)c1C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000997771979 667174976 /nfs/dbraw/zinc/17/49/76/667174976.db2.gz KHMNJQXRFREYQE-ZIAGYGMSSA-N 1 1 350.423 0.600 20 5 FCBDMO CC(C)n1nnnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000997766888 667175198 /nfs/dbraw/zinc/17/51/98/667175198.db2.gz DTRDNWLDVIRPFW-CHWSQXEVSA-N 1 1 351.411 0.247 20 5 FCBDMO C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCN1C ZINC000920022515 667220804 /nfs/dbraw/zinc/22/08/04/667220804.db2.gz XACDNLZGIBFSCI-IUODEOHRSA-N 1 1 356.448 0.649 20 5 FCBDMO C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000920022515 667220807 /nfs/dbraw/zinc/22/08/07/667220807.db2.gz XACDNLZGIBFSCI-IUODEOHRSA-N 1 1 356.448 0.649 20 5 FCBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000762554268 667920954 /nfs/dbraw/zinc/92/09/54/667920954.db2.gz FJXJBYJJKDRLNB-ZDUSSCGKSA-N 1 1 363.823 0.902 20 5 FCBDMO C[N@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000762700220 667926470 /nfs/dbraw/zinc/92/64/70/667926470.db2.gz LZIQEVBCWVKEKY-AWEZNQCLSA-N 1 1 356.766 0.370 20 5 FCBDMO Cc1c(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000762715013 667927506 /nfs/dbraw/zinc/92/75/06/667927506.db2.gz DWDLUQACSDXKDJ-HNNXBMFYSA-N 1 1 352.347 0.916 20 5 FCBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000784514838 668661584 /nfs/dbraw/zinc/66/15/84/668661584.db2.gz AHKADFLSSWGMSJ-JTQLQIEISA-N 1 1 351.363 0.281 20 5 FCBDMO NS(=O)(=O)c1c(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000785797684 668732338 /nfs/dbraw/zinc/73/23/38/668732338.db2.gz CALKYNXLBNXZGN-MNOVXSKESA-N 1 1 356.404 0.517 20 5 FCBDMO COCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000819944246 669042956 /nfs/dbraw/zinc/04/29/56/669042956.db2.gz XVXSTBYWPIWIEE-UHFFFAOYSA-N 1 1 372.447 0.789 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(c3cccc(F)n3)CC2)c1 ZINC000831477435 669847522 /nfs/dbraw/zinc/84/75/22/669847522.db2.gz CYOVYCCHOUXXHM-ZDUSSCGKSA-N 1 1 350.354 0.509 20 5 FCBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832823654 669927460 /nfs/dbraw/zinc/92/74/60/669927460.db2.gz UKEGMCZBXBYMEG-INIZCTEOSA-N 1 1 352.435 0.970 20 5 FCBDMO CN(CCCN(C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000832823654 669927462 /nfs/dbraw/zinc/92/74/62/669927462.db2.gz UKEGMCZBXBYMEG-INIZCTEOSA-N 1 1 352.435 0.970 20 5 FCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848582359 671284534 /nfs/dbraw/zinc/28/45/34/671284534.db2.gz BNGYBVLHLKSLOM-GFCCVEGCSA-N 1 1 358.345 0.928 20 5 FCBDMO NS(=O)(=O)c1ccc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000853241189 671544464 /nfs/dbraw/zinc/54/44/64/671544464.db2.gz JEHOQYULHIIIDS-RYUDHWBXSA-N 1 1 356.404 0.517 20 5 FCBDMO COC(=O)COc1ccc(C[NH2+][C@H](C)C(=O)N(C)OC)cc1[N+](=O)[O-] ZINC000858323240 671758509 /nfs/dbraw/zinc/75/85/09/671758509.db2.gz UDWCDEGBHIUIRS-SNVBAGLBSA-N 1 1 355.347 0.645 20 5 FCBDMO CN1CC[NH+](C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000867816871 672371826 /nfs/dbraw/zinc/37/18/26/672371826.db2.gz MBLYYWGWZIATBY-UHFFFAOYSA-N 1 1 368.459 0.995 20 5 FCBDMO O=C(NCC[NH+]1CCC(NC(=O)C2CC=CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001055575297 676025073 /nfs/dbraw/zinc/02/50/73/676025073.db2.gz QVGAWFNTJIHQNJ-HUUCEWRRSA-N 1 1 350.419 0.315 20 5 FCBDMO C[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@@H+](C)CCN1C ZINC000896570140 1190095915 /nfs/dbraw/zinc/09/59/15/1190095915.db2.gz JVRNDMRAXJWTBY-LRDDRELGSA-N 1 1 360.418 0.695 20 5 FCBDMO COc1cc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])cc1OC ZINC000896582870 1190103756 /nfs/dbraw/zinc/10/37/56/1190103756.db2.gz VUGMOJOMDMEKIS-SMDDNHRTSA-N 1 1 366.418 0.976 20 5 FCBDMO COc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc(OC)c1 ZINC001126936462 1194606988 /nfs/dbraw/zinc/60/69/88/1194606988.db2.gz JIVXQLFLCZUVFK-ZIAGYGMSSA-N 1 1 366.374 0.013 20 5 FCBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCC1(c2ccccc2)CC1 ZINC001126948580 1195017668 /nfs/dbraw/zinc/01/76/68/1195017668.db2.gz DIJKJUICCJEWKG-HUUCEWRRSA-N 1 1 360.414 0.205 20 5 FCBDMO CCOc1cc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])cc1OC ZINC000593853027 1196826138 /nfs/dbraw/zinc/82/61/38/1196826138.db2.gz ASTHEVYWMWWHRZ-GFCCVEGCSA-N 1 1 365.386 0.893 20 5 FCBDMO CCOc1cc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])cc1OC ZINC000593853027 1196826140 /nfs/dbraw/zinc/82/61/40/1196826140.db2.gz ASTHEVYWMWWHRZ-GFCCVEGCSA-N 1 1 365.386 0.893 20 5 FCBDMO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593854374 1196826628 /nfs/dbraw/zinc/82/66/28/1196826628.db2.gz IXXRRNWXUYPKEH-CYBMUJFWSA-N 1 1 372.381 0.799 20 5 FCBDMO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593854374 1196826629 /nfs/dbraw/zinc/82/66/29/1196826629.db2.gz IXXRRNWXUYPKEH-CYBMUJFWSA-N 1 1 372.381 0.799 20 5 FCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593854986 1196826944 /nfs/dbraw/zinc/82/69/44/1196826944.db2.gz OBAMNZGYWFTVGO-CHWSQXEVSA-N 1 1 366.422 0.105 20 5 FCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593854986 1196826945 /nfs/dbraw/zinc/82/69/45/1196826945.db2.gz OBAMNZGYWFTVGO-CHWSQXEVSA-N 1 1 366.422 0.105 20 5 FCBDMO CN(Cc1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CC[NH+](C)C ZINC001060494777 1197777965 /nfs/dbraw/zinc/77/79/65/1197777965.db2.gz GRBYMKPJNGZOFL-HZPDHXFCSA-N 1 1 362.430 0.878 20 5 FCBDMO CN(Cc1ccccc1CNC(=O)CC[NH+](C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001060524151 1197956919 /nfs/dbraw/zinc/95/69/19/1197956919.db2.gz HVBJPLJUJQGIQF-HZPDHXFCSA-N 1 1 362.430 0.878 20 5 FCBDMO Cn1nc(C(=O)N2CCOCC2)c2c1C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169021821 1199044059 /nfs/dbraw/zinc/04/40/59/1199044059.db2.gz ADAUTAAYRQLDHS-CHWSQXEVSA-N 1 1 363.418 0.654 20 5 FCBDMO Cn1nc(C(=O)N2CCOCC2)c2c1C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169021821 1199044066 /nfs/dbraw/zinc/04/40/66/1199044066.db2.gz ADAUTAAYRQLDHS-CHWSQXEVSA-N 1 1 363.418 0.654 20 5 FCBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000769701435 1200350839 /nfs/dbraw/zinc/35/08/39/1200350839.db2.gz OVCKPWADDBBCJZ-HNNXBMFYSA-N 1 1 363.418 0.850 20 5 FCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000793876108 1201273529 /nfs/dbraw/zinc/27/35/29/1201273529.db2.gz WICIMHGNGGFYPD-CHWSQXEVSA-N 1 1 361.402 0.858 20 5 FCBDMO O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000843997407 1203327354 /nfs/dbraw/zinc/32/73/54/1203327354.db2.gz FLKZBLJFAJFLIL-MLGOLLRUSA-N 1 1 360.370 0.365 20 5 FCBDMO O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000843997407 1203327357 /nfs/dbraw/zinc/32/73/57/1203327357.db2.gz FLKZBLJFAJFLIL-MLGOLLRUSA-N 1 1 360.370 0.365 20 5 FCBDMO CC(=O)N1CC(=O)NC[C@@]12CC[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173223233 1206266873 /nfs/dbraw/zinc/26/68/73/1206266873.db2.gz AHHXUUVHHWMQNY-FZKQIMNGSA-N 1 1 360.414 0.949 20 5 FCBDMO CCCCn1nnnc1C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178464498 1206357568 /nfs/dbraw/zinc/35/75/68/1206357568.db2.gz UIJIEHDZWXEQTC-ZIAGYGMSSA-N 1 1 367.454 0.905 20 5 FCBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000363197491 1211290542 /nfs/dbraw/zinc/29/05/42/1211290542.db2.gz OKRILMSKGCLGHA-ZIAGYGMSSA-N 1 1 372.385 0.769 20 5 FCBDMO C[N@H+]1CC[C@H]1CNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000925412736 1211500154 /nfs/dbraw/zinc/50/01/54/1211500154.db2.gz XQHZDOHFUSTOGM-HNNXBMFYSA-N 1 1 361.402 0.766 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC000952713511 1212972254 /nfs/dbraw/zinc/97/22/54/1212972254.db2.gz MDPXDDPTWCYUOH-LXTVHRRPSA-N 1 1 362.430 0.339 20 5 FCBDMO O=C(C[NH+]1CCCC1)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000959732410 1213522418 /nfs/dbraw/zinc/52/24/18/1213522418.db2.gz GJIOKGBKCAHBNU-YIDVYQOGSA-N 1 1 364.446 0.633 20 5 FCBDMO COc1ccc(C[NH2+]C2CC3(CC(NC(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)nn1 ZINC000963787157 1214850754 /nfs/dbraw/zinc/85/07/54/1214850754.db2.gz HHXHRFMLRQHFAH-FZOOGMQUSA-N 1 1 361.402 0.667 20 5 FCBDMO CCc1nnc(C[NH2+]C2CC3(CC(NC(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)n1C ZINC000963788963 1214851460 /nfs/dbraw/zinc/85/14/60/1214851460.db2.gz VIQDTSBJJJWMHP-UETSVZEDSA-N 1 1 362.434 0.560 20 5 FCBDMO Cn1nccc1CC[NH+]1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001000154925 1216012891 /nfs/dbraw/zinc/01/28/91/1216012891.db2.gz PNUDWYGJFPUJKR-HZPDHXFCSA-N 1 1 361.446 0.989 20 5 FCBDMO COc1cncc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001050326334 1216307069 /nfs/dbraw/zinc/30/70/69/1216307069.db2.gz XXCXMLYBYSCGFR-QHSBEEBCSA-N 1 1 363.418 0.915 20 5 FCBDMO O=C(NCC1CC[NH+](CCCCCn2cncn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001223113968 1225682192 /nfs/dbraw/zinc/68/21/92/1225682192.db2.gz FRFFIJMLALIVMX-HZPDHXFCSA-N 1 1 364.450 0.942 20 5 FCBDMO CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001069571112 1216793599 /nfs/dbraw/zinc/79/35/99/1216793599.db2.gz GDHZUAMYLSFLKQ-ZIAGYGMSSA-N 1 1 366.462 0.881 20 5 FCBDMO C[NH+](C)CCC(=O)NCCN(Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001055072141 1218989490 /nfs/dbraw/zinc/98/94/90/1218989490.db2.gz KAZRFRHGYLGYMM-HZPDHXFCSA-N 1 1 362.430 0.748 20 5 FCBDMO CC1(CCC(=O)NC2CC[NH+](CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001055575293 1219083803 /nfs/dbraw/zinc/08/38/03/1219083803.db2.gz QKRYCJXBWPCXLI-HUUCEWRRSA-N 1 1 366.462 0.929 20 5 FCBDMO C[NH+](C)CCC(=O)NCc1ccc2c(c1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001070330431 1219381316 /nfs/dbraw/zinc/38/13/16/1219381316.db2.gz IAMYFPLQJVFWQX-HZPDHXFCSA-N 1 1 360.414 0.762 20 5 FCBDMO C[NH+](C)CCCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2CC1 ZINC001074359994 1219686708 /nfs/dbraw/zinc/68/67/08/1219686708.db2.gz KSORNPJJSFBFTI-QKPAOTATSA-N 1 1 366.462 0.690 20 5 FCBDMO C[C@H](NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@H]1C[N@H+](C)CCO1 ZINC000781740750 1221096115 /nfs/dbraw/zinc/09/61/15/1221096115.db2.gz QRMLLVIJSGXDHC-IUIKQTSFSA-N 1 1 362.386 0.923 20 5 FCBDMO C[C@H](NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@H]1C[N@@H+](C)CCO1 ZINC000781740750 1221096120 /nfs/dbraw/zinc/09/61/20/1221096120.db2.gz QRMLLVIJSGXDHC-IUIKQTSFSA-N 1 1 362.386 0.923 20 5 FCBDMO CCCn1nnnc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001115530562 1221311222 /nfs/dbraw/zinc/31/12/22/1221311222.db2.gz DLDDXNUVRICRJQ-CHWSQXEVSA-N 1 1 365.438 0.657 20 5 FCBDMO COC(=O)c1ccc2c(c1)nc(=O)[nH]c2OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001230204910 1226064442 /nfs/dbraw/zinc/06/44/42/1226064442.db2.gz MUXSHTSNOIOOBV-LLVKDONJSA-O 1 1 364.378 0.485 20 5 FCBDMO CCOC(=O)C(C(=O)OCC)c1nc(N2CC[C@H]2[NH2+]C)ccc1[N+](=O)[O-] ZINC001156673243 1223060714 /nfs/dbraw/zinc/06/07/14/1223060714.db2.gz WTYGZEROFVTJSJ-NSHDSACASA-N 1 1 366.374 0.955 20 5 FCBDMO O=C(NCCC1=CC[N@@H+](CCCN2CCCC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160090437 1223145374 /nfs/dbraw/zinc/14/53/74/1223145374.db2.gz GOXBFUIEXUUHGN-HZPDHXFCSA-N 1 1 364.446 0.803 20 5 FCBDMO O=C(NCCC1=CC[N@H+](CCCN2CCCC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001160090437 1223145377 /nfs/dbraw/zinc/14/53/77/1223145377.db2.gz GOXBFUIEXUUHGN-HZPDHXFCSA-N 1 1 364.446 0.803 20 5 FCBDMO O=C(NCCC1=CC[N@@H+](CCCN2CCCC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001160090437 1223145380 /nfs/dbraw/zinc/14/53/80/1223145380.db2.gz GOXBFUIEXUUHGN-HZPDHXFCSA-N 1 1 364.446 0.803 20 5 FCBDMO CCc1cc(NCCN2CC[NH2+]CC2=O)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001161024328 1223183608 /nfs/dbraw/zinc/18/36/08/1223183608.db2.gz BEFJSBDLYCPADD-UHFFFAOYSA-N 1 1 370.413 0.880 20 5 FCBDMO COCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](CCn2cccn2)CC1 ZINC001162264416 1223212371 /nfs/dbraw/zinc/21/23/71/1223212371.db2.gz LTVHNSZVGSCVFA-HUUCEWRRSA-N 1 1 365.434 0.393 20 5 FCBDMO [NH3+][C@@H]1NCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[C@@H]2NCN[C@H]21 ZINC001162443557 1223215946 /nfs/dbraw/zinc/21/59/46/1223215946.db2.gz HITGAYZQQLNGNK-XHSDSOJGSA-N 1 1 359.365 0.293 20 5 FCBDMO CCNC(=O)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001162810799 1223219955 /nfs/dbraw/zinc/21/99/55/1223219955.db2.gz QMYBTTLVUDDOOM-HZPDHXFCSA-N 1 1 362.430 0.449 20 5 FCBDMO O=C(C[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NCc1ccco1 ZINC001164490197 1223239157 /nfs/dbraw/zinc/23/91/57/1223239157.db2.gz CEURBTITMIOPPO-ZIAGYGMSSA-N 1 1 364.402 0.437 20 5 FCBDMO COc1nc(N2CCc3[nH+]cc(Cn4cccn4)n3CC2)ncc1[N+](=O)[O-] ZINC001165968955 1223263519 /nfs/dbraw/zinc/26/35/19/1223263519.db2.gz QJRXICIBJCNXTP-UHFFFAOYSA-N 1 1 370.373 0.897 20 5 FCBDMO CC(C)[NH+]1CCC(C(=O)N2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000941012932 1246429461 /nfs/dbraw/zinc/42/94/61/1246429461.db2.gz SZROCBRVYIFNJF-HZPDHXFCSA-N 1 1 366.462 0.833 20 5 FCBDMO CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC000943699275 1247388260 /nfs/dbraw/zinc/38/82/60/1247388260.db2.gz ZLTDDYFIVPWWGH-KBUPBQIOSA-N 1 1 366.462 0.927 20 5 FCBDMO CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000943699275 1247388273 /nfs/dbraw/zinc/38/82/73/1247388273.db2.gz ZLTDDYFIVPWWGH-KBUPBQIOSA-N 1 1 366.462 0.927 20 5 FCBDMO CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000943699275 1247388283 /nfs/dbraw/zinc/38/82/83/1247388283.db2.gz ZLTDDYFIVPWWGH-KBUPBQIOSA-N 1 1 366.462 0.927 20 5 FCBDMO COc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)n1 ZINC001034644006 1253999898 /nfs/dbraw/zinc/99/98/98/1253999898.db2.gz XVHOGUUVNWTMRT-KBUPBQIOSA-N 1 1 363.418 0.976 20 5 FCBDMO Cc1noc(CCC[NH+]2CC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC3)n1 ZINC001035704384 1254057161 /nfs/dbraw/zinc/05/71/61/1254057161.db2.gz LSFXKVJEGVXZKH-ZIAGYGMSSA-N 1 1 363.418 0.900 20 5 FCBDMO C[NH+]1CCN(C2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC001331096853 1266145834 /nfs/dbraw/zinc/14/58/34/1266145834.db2.gz HCIRTGMRZVEOCG-UHFFFAOYSA-N 1 1 365.438 0.213 20 5 FCBDMO CCN1CCN([C@H](C)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC001335934530 1259908869 /nfs/dbraw/zinc/90/88/69/1259908869.db2.gz RXWYIWNJLPEBAU-WBVHZDCISA-N 1 1 366.462 0.950 20 5 FCBDMO C[C@H](CCN1CCN(C)CC1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001335986297 1259931835 /nfs/dbraw/zinc/93/18/35/1259931835.db2.gz MPASHHFLSLYDDE-WBVHZDCISA-N 1 1 366.462 0.950 20 5 FCBDMO COC(=O)[C@@H](CN)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256087470 1259933297 /nfs/dbraw/zinc/93/32/97/1259933297.db2.gz BIMDMSBLZKYFRC-LBPRGKRZSA-N 1 1 366.418 0.910 20 5 FCBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001258148708 1260037448 /nfs/dbraw/zinc/03/74/48/1260037448.db2.gz CRRNSYGFZYNMDQ-HNNXBMFYSA-N 1 1 360.414 0.854 20 5 FCBDMO COc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC001321773530 1264056926 /nfs/dbraw/zinc/05/69/26/1264056926.db2.gz PWLNGAMQZUHWRQ-GFCCVEGCSA-N 1 1 362.386 0.573 20 5 FCBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001323239491 1264374043 /nfs/dbraw/zinc/37/40/43/1264374043.db2.gz RKPVJAOPWDNHCH-GOEBONIOSA-N 1 1 360.414 0.997 20 5 FCBDMO CC[N@@H+](CCNC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC001323940483 1264544542 /nfs/dbraw/zinc/54/45/42/1264544542.db2.gz KQVVFKPLBWOSQP-UHFFFAOYSA-N 1 1 364.402 0.820 20 5 FCBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001324281575 1264610716 /nfs/dbraw/zinc/61/07/16/1264610716.db2.gz VTDFJTMXXWLXNT-STQMWFEESA-N 1 1 366.422 0.144 20 5 FCBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001324281570 1264611071 /nfs/dbraw/zinc/61/10/71/1264611071.db2.gz VTDFJTMXXWLXNT-CHWSQXEVSA-N 1 1 366.422 0.144 20 5 FCBDMO C[C@H]1C[C@@H](NC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC001324522085 1264663796 /nfs/dbraw/zinc/66/37/96/1264663796.db2.gz LHFRGNHEOHNSGI-GXTWGEPZSA-N 1 1 360.414 0.995 20 5 FCBDMO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC001325490024 1264907277 /nfs/dbraw/zinc/90/72/77/1264907277.db2.gz UFNLIOTWDUVGHJ-TZMCWYRMSA-N 1 1 360.414 0.995 20 5 FCBDMO CCOCCCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001343211442 1269814780 /nfs/dbraw/zinc/81/47/80/1269814780.db2.gz WGTGXKQFBRFTTH-UONOGXRCSA-N 1 1 368.438 0.563 20 5 FCBDMO CCOCCCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001343211442 1269814799 /nfs/dbraw/zinc/81/47/99/1269814799.db2.gz WGTGXKQFBRFTTH-UONOGXRCSA-N 1 1 368.438 0.563 20 5 FCBDMO CC(C)[C@@H]([NH3+])CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001589465884 1282886132 /nfs/dbraw/zinc/88/61/32/1282886132.db2.gz AHSPHFLURDPQNW-QMMMGPOBSA-N 1 1 355.380 0.037 20 5 FCBDMO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001590578745 1283618290 /nfs/dbraw/zinc/61/82/90/1283618290.db2.gz KRJXKMFGCUOPOG-SECBINFHSA-N 1 1 369.407 0.571 20 5 FCBDMO C[N@H+]1CC[C@@](O)(CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001591181340 1284281542 /nfs/dbraw/zinc/28/15/42/1284281542.db2.gz ZIAMVOJGFITSDB-MRXNPFEDSA-N 1 1 370.373 0.802 20 5 FCBDMO O=C1CC[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC[C@H]2N1 ZINC001593393871 1286113753 /nfs/dbraw/zinc/11/37/53/1286113753.db2.gz ODXLNWQJYVRHMD-WCQYABFASA-N 1 1 357.374 0.875 20 5 FCBDMO O=[N+]([O-])c1c(-c2nn[nH]n2)cccc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001593466535 1286171184 /nfs/dbraw/zinc/17/11/84/1286171184.db2.gz JAJAPOUPQRCLPN-GFCCVEGCSA-N 1 1 359.390 0.810 20 5 FCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001593470446 1286172097 /nfs/dbraw/zinc/17/20/97/1286172097.db2.gz NHXXITBCWBOVDR-LBPRGKRZSA-N 1 1 360.378 0.205 20 5 FCBDMO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH+]3CCOCC3)C2)c(-c2nn[nH]n2)c1 ZINC001593485696 1286174011 /nfs/dbraw/zinc/17/40/11/1286174011.db2.gz FWMVBHGFNZKRKN-LLVKDONJSA-N 1 1 360.378 0.471 20 5 FCBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001593481240 1286174797 /nfs/dbraw/zinc/17/47/97/1286174797.db2.gz PPDJVSZPLSKTCM-QWHCGFSZSA-N 1 1 359.390 0.810 20 5 FCBDMO COC(C[N@H+](CCCO)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])OC ZINC001609309590 1289082231 /nfs/dbraw/zinc/08/22/31/1289082231.db2.gz SNDKSBLHENMJLP-UHFFFAOYSA-N 1 1 366.378 0.578 20 5 FCBDMO COC(C[N@@H+](CCCO)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])OC ZINC001609309590 1289082240 /nfs/dbraw/zinc/08/22/40/1289082240.db2.gz SNDKSBLHENMJLP-UHFFFAOYSA-N 1 1 366.378 0.578 20 5 FCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)c(F)cc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC001607076879 1288649862 /nfs/dbraw/zinc/64/98/62/1288649862.db2.gz DMFDUSWBDFUNIV-UHFFFAOYSA-N 1 1 359.325 0.964 20 5 FCBDMO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001607077080 1288650595 /nfs/dbraw/zinc/65/05/95/1288650595.db2.gz KEFBISFYBGUVRN-NWDGAFQWSA-N 1 1 360.378 0.205 20 5 FCBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCn1cnc(-c2nn[nH]n2)n1 ZINC001609111665 1288925966 /nfs/dbraw/zinc/92/59/66/1288925966.db2.gz CBBYMUDUSWFBFL-NSHDSACASA-N 1 1 357.378 0.977 20 5 FCBDMO Nc1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164740522 720717276 /nfs/dbraw/zinc/71/72/76/720717276.db2.gz QROFRKNYXFRCNX-VXGBXAGGSA-N 1 1 357.374 0.704 20 5 FCBDMO COCC[N@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])c(OC)n3)CC[C@@H]2C1 ZINC001164847633 720831625 /nfs/dbraw/zinc/83/16/25/720831625.db2.gz JVEVNENYTNUPRM-TZMCWYRMSA-N 1 1 367.406 0.567 20 5 FCBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc([N+](=O)[O-])cc[n+]4[O-])C[C@H]3C2)cn1 ZINC001164765041 721076250 /nfs/dbraw/zinc/07/62/50/721076250.db2.gz IGLGSNGBQUVQEF-HUUCEWRRSA-N 1 1 358.402 0.920 20 5 FCBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc([N+](=O)[O-])cc[n+]4[O-])C[C@@H]3C2)cn1 ZINC001164765024 721076677 /nfs/dbraw/zinc/07/66/77/721076677.db2.gz IGLGSNGBQUVQEF-CABCVRRESA-N 1 1 358.402 0.920 20 5 FCBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC001165043325 721925345 /nfs/dbraw/zinc/92/53/45/721925345.db2.gz JBCDACWHLIXMSX-CYBMUJFWSA-N 1 1 364.406 0.953 20 5 FCBDMO CCC1(NC(=O)C[NH+]2CCCC2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001069368311 837529224 /nfs/dbraw/zinc/52/92/24/837529224.db2.gz QKUKRRDTIFXNKO-ZIAGYGMSSA-N 1 1 352.435 0.635 20 5 FCBDMO CC[N@@H+](C)C(C)(C)C(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001073116940 837756178 /nfs/dbraw/zinc/75/61/78/837756178.db2.gz FXSUKRHWGWZWRR-CHWSQXEVSA-N 1 1 354.451 0.879 20 5 FCBDMO CC[N@H+](C)C(C)(C)C(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073116940 837756184 /nfs/dbraw/zinc/75/61/84/837756184.db2.gz FXSUKRHWGWZWRR-CHWSQXEVSA-N 1 1 354.451 0.879 20 5 FCBDMO CC[N@@H+](C)C(C)(C)C(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073116940 837756191 /nfs/dbraw/zinc/75/61/91/837756191.db2.gz FXSUKRHWGWZWRR-CHWSQXEVSA-N 1 1 354.451 0.879 20 5 FCBDMO Cn1cnc([N+](=O)[O-])c1N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000746703995 836196821 /nfs/dbraw/zinc/19/68/21/836196821.db2.gz UIJTUVLAPIROBF-NSHDSACASA-N 1 1 354.411 0.973 20 5 FCBDMO Cn1cnc([N+](=O)[O-])c1N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000746703995 836196826 /nfs/dbraw/zinc/19/68/26/836196826.db2.gz UIJTUVLAPIROBF-NSHDSACASA-N 1 1 354.411 0.973 20 5 FCBDMO CC(C)(CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000751225354 836473106 /nfs/dbraw/zinc/47/31/06/836473106.db2.gz JWJNSXIXPHQNMA-UHFFFAOYSA-N 1 1 358.420 0.135 20 5 FCBDMO CCn1nncc1C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001115530707 846561814 /nfs/dbraw/zinc/56/18/14/846561814.db2.gz MVLOHMKATUKFMU-ZIAGYGMSSA-N 1 1 350.423 0.872 20 5 FCBDMO COCC[N@@H+](C)CCNC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001117152902 846914586 /nfs/dbraw/zinc/91/45/86/846914586.db2.gz ULLWKEWWKIBMEJ-UHFFFAOYSA-N 1 1 372.809 0.559 20 5 FCBDMO C[C@H](C(=O)NCC(=O)N1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC001123990345 848663767 /nfs/dbraw/zinc/66/37/67/848663767.db2.gz ABEDVEORZPCYFX-NSHDSACASA-N 1 1 352.366 0.728 20 5 FCBDMO Cc1csc2nc(C[NH2+]CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])cc(=O)n12 ZINC001157767023 849991721 /nfs/dbraw/zinc/99/17/21/849991721.db2.gz DJFFREDEVBZLRG-VXGBXAGGSA-N 1 1 365.415 0.326 20 5 FCBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])N(C1CC1)C1CCCC1 ZINC001157775346 849992746 /nfs/dbraw/zinc/99/27/46/849992746.db2.gz PHTKZPOQHNTSBZ-HUUCEWRRSA-N 1 1 352.435 0.681 20 5 FCBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC([N@H+](C)[C@H]3CCOC3)C2)n1 ZINC001158734606 850072217 /nfs/dbraw/zinc/07/22/17/850072217.db2.gz NJEFJGZTGNTDMD-NSHDSACASA-N 1 1 350.379 0.561 20 5 FCBDMO COC(=O)CN(CC(=O)OC)c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001166847594 850508174 /nfs/dbraw/zinc/50/81/74/850508174.db2.gz XHPLDNZIONHADL-AATRIKPKSA-N 1 1 352.347 0.675 20 5 FCBDMO CN(C)C(=O)COC[C@]12COC[C@H]1C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169020197 850602604 /nfs/dbraw/zinc/60/26/04/850602604.db2.gz KGTCNZBPMLQZPQ-HWMZRRJGSA-N 1 1 355.435 0.485 20 5 FCBDMO CN(C)S(=O)(=O)N1CC[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]2C1 ZINC001169023589 850603618 /nfs/dbraw/zinc/60/36/18/850603618.db2.gz PCIRDQUKHBOSBJ-LJISPDSOSA-N 1 1 360.480 0.492 20 5 FCBDMO O=C(C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCC(F)(F)F ZINC001178458402 850900454 /nfs/dbraw/zinc/90/04/54/850900454.db2.gz FQEPLTUAJGATLH-GHMZBOCLSA-N 1 1 368.356 0.596 20 5 FCBDMO O=C(NC1CC[NH+](CCCCCn2cncn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001227258066 857152586 /nfs/dbraw/zinc/15/25/86/857152586.db2.gz IIZDQOIZZAHDLA-HUUCEWRRSA-N 1 1 350.423 0.694 20 5 FCBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001303273794 866405804 /nfs/dbraw/zinc/40/58/04/866405804.db2.gz OFEPAFYCEHJCQD-NWDGAFQWSA-N 1 1 368.415 0.551 20 5 FCBDMO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)c1ccc([N+](=O)[O-])cc1F ZINC001305854129 866591677 /nfs/dbraw/zinc/59/16/77/866591677.db2.gz CIDZJSVSUXRLHZ-BLLLJJGKSA-N 1 1 353.350 0.689 20 5 FCBDMO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)c1ccc([N+](=O)[O-])cc1F ZINC001305854129 866591687 /nfs/dbraw/zinc/59/16/87/866591687.db2.gz CIDZJSVSUXRLHZ-BLLLJJGKSA-N 1 1 353.350 0.689 20 5 FCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)n1 ZINC001307227296 866650766 /nfs/dbraw/zinc/65/07/66/866650766.db2.gz FIZJPWJBTBZULC-CHWSQXEVSA-N 1 1 350.375 0.812 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](C)C[C@H]1CO ZINC001307946811 866687226 /nfs/dbraw/zinc/68/72/26/866687226.db2.gz ZIJUBYUBUJGUGI-ZDUSSCGKSA-N 1 1 352.391 0.540 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(C)C[C@H]1CO ZINC001307946811 866687237 /nfs/dbraw/zinc/68/72/37/866687237.db2.gz ZIJUBYUBUJGUGI-ZDUSSCGKSA-N 1 1 352.391 0.540 20 5 FCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)C[C@H]1CO ZINC001307946811 866687250 /nfs/dbraw/zinc/68/72/50/866687250.db2.gz ZIJUBYUBUJGUGI-ZDUSSCGKSA-N 1 1 352.391 0.540 20 5 FCBDMO NS(=O)(=O)C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001308009649 866691086 /nfs/dbraw/zinc/69/10/86/866691086.db2.gz UIOTXAIMMLSNIY-OLZOCXBDSA-N 1 1 373.431 0.478 20 5 FCBDMO NS(=O)(=O)C[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001308009649 866691093 /nfs/dbraw/zinc/69/10/93/866691093.db2.gz UIOTXAIMMLSNIY-OLZOCXBDSA-N 1 1 373.431 0.478 20 5 FCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[NH2+]C[C@H]1C(=O)[O-] ZINC001599462210 998293254 /nfs/dbraw/zinc/29/32/54/998293254.db2.gz UOWBFOIOZLYVKQ-ZDUSSCGKSA-N 1 1 366.374 0.681 20 5 FCBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292196124 214083902 /nfs/dbraw/zinc/08/39/02/214083902.db2.gz NNWXREHZXHFAGK-STQMWFEESA-N 1 1 373.431 0.300 20 5 FCBDMO COC[C@@]1(C(=O)OC)CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000295150297 214280416 /nfs/dbraw/zinc/28/04/16/214280416.db2.gz MADGXVSUQVEKGN-CXAGYDPISA-N 1 1 368.386 0.846 20 5 FCBDMO NC(=O)NC(=O)CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265867647 210238733 /nfs/dbraw/zinc/23/87/33/210238733.db2.gz LMZUCCVNQCVUJA-UHFFFAOYSA-N 1 1 363.374 0.328 20 5 FCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000265729415 210208266 /nfs/dbraw/zinc/20/82/66/210208266.db2.gz WWLBKDPUOAQMFX-GFCCVEGCSA-N 1 1 364.402 0.926 20 5 FCBDMO CNS(=O)(=O)c1ccc(NC[C@@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000265628874 210181449 /nfs/dbraw/zinc/18/14/49/210181449.db2.gz ZVLNJNBYZNOJOU-GFCCVEGCSA-N 1 1 372.447 0.883 20 5 FCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000265004007 210035062 /nfs/dbraw/zinc/03/50/62/210035062.db2.gz FQPXQTDFXXJFEI-LLVKDONJSA-N 1 1 374.401 0.829 20 5 FCBDMO Cc1nn(C)c(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000264858691 210002415 /nfs/dbraw/zinc/00/24/15/210002415.db2.gz DJTOFZCTMOMHOU-UHFFFAOYSA-N 1 1 352.439 0.735 20 5 FCBDMO Cc1nn(C)c(C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000264858691 210002418 /nfs/dbraw/zinc/00/24/18/210002418.db2.gz DJTOFZCTMOMHOU-UHFFFAOYSA-N 1 1 352.439 0.735 20 5 FCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000245903559 209377369 /nfs/dbraw/zinc/37/73/69/209377369.db2.gz QKGVUDFTXCYDPL-DOTOQJQBSA-N 1 1 373.413 0.933 20 5 FCBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186647220 209194651 /nfs/dbraw/zinc/19/46/51/209194651.db2.gz GGUIGIKIDWJVCX-LBPRGKRZSA-N 1 1 350.350 0.770 20 5 FCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000185682850 209180101 /nfs/dbraw/zinc/18/01/01/209180101.db2.gz AOHTVVAMDMIRAJ-UKRRQHHQSA-N 1 1 371.397 0.937 20 5 FCBDMO C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000275505468 212040715 /nfs/dbraw/zinc/04/07/15/212040715.db2.gz LUXLIVQANRGCPV-LLVKDONJSA-N 1 1 372.447 0.524 20 5 FCBDMO C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000275505470 212040795 /nfs/dbraw/zinc/04/07/95/212040795.db2.gz LUXLIVQANRGCPV-NSHDSACASA-N 1 1 372.447 0.524 20 5 FCBDMO COCC[N@@H+](C)CCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373357856 217011228 /nfs/dbraw/zinc/01/12/28/217011228.db2.gz GJAXSRMQBGPONM-UHFFFAOYSA-N 1 1 354.411 0.716 20 5 FCBDMO CNS(=O)(=O)c1ccc(N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000275400618 212019128 /nfs/dbraw/zinc/01/91/28/212019128.db2.gz RFMZHRSSMUDUFA-VXGBXAGGSA-N 1 1 372.447 0.394 20 5 FCBDMO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000419350189 246110821 /nfs/dbraw/zinc/11/08/21/246110821.db2.gz VWVYOOMIGLSSSE-CQSZACIVSA-N 1 1 351.359 0.727 20 5 FCBDMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000419350189 246110825 /nfs/dbraw/zinc/11/08/25/246110825.db2.gz VWVYOOMIGLSSSE-CQSZACIVSA-N 1 1 351.359 0.727 20 5 FCBDMO COC(=O)c1cnc([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000424729503 247271787 /nfs/dbraw/zinc/27/17/87/247271787.db2.gz MBFDORIKTUWKHD-SCZZXKLOSA-N 1 1 355.376 0.746 20 5 FCBDMO CN1C(=O)NCC12CC[NH+](CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)CC2 ZINC000425545262 247350097 /nfs/dbraw/zinc/35/00/97/247350097.db2.gz RUIRQKDIIMWPAY-UHFFFAOYSA-N 1 1 373.413 0.974 20 5 FCBDMO C[N@H+](CC(=O)NCc1cccs1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441396333 248251054 /nfs/dbraw/zinc/25/10/54/248251054.db2.gz UGKVAQMPBAVTAW-GFCCVEGCSA-N 1 1 353.404 0.462 20 5 FCBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCN3CCCS3(=O)=O)C2)nc1 ZINC000440498822 248192394 /nfs/dbraw/zinc/19/23/94/248192394.db2.gz VFFXDUOEMOCXFA-GFCCVEGCSA-N 1 1 355.420 0.512 20 5 FCBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCN3CCCS3(=O)=O)C2)nc1 ZINC000440498822 248192395 /nfs/dbraw/zinc/19/23/95/248192395.db2.gz VFFXDUOEMOCXFA-GFCCVEGCSA-N 1 1 355.420 0.512 20 5 FCBDMO Cn1cc[nH+]c1N1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000442561211 248290731 /nfs/dbraw/zinc/29/07/31/248290731.db2.gz VEHZCJJEFBNVKZ-UHFFFAOYSA-N 1 1 358.358 0.616 20 5 FCBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCC[NH+]1CCC1 ZINC000443878615 248343242 /nfs/dbraw/zinc/34/32/42/248343242.db2.gz MQJXXMGNGHURIZ-UHFFFAOYSA-N 1 1 370.431 0.733 20 5 FCBDMO C[C@@H](O)C[NH+]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000444384927 248358294 /nfs/dbraw/zinc/35/82/94/248358294.db2.gz OOCBCUWWDHORRU-GFCCVEGCSA-N 1 1 365.386 0.434 20 5 FCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000270889444 211293607 /nfs/dbraw/zinc/29/36/07/211293607.db2.gz QAWDVDYDEFVAQA-DOTOQJQBSA-N 1 1 373.413 0.791 20 5 FCBDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000270583728 211229263 /nfs/dbraw/zinc/22/92/63/211229263.db2.gz RGQVLDSRDCIBLZ-ZIAGYGMSSA-N 1 1 366.418 0.620 20 5 FCBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](CC)CN1C(C)=O ZINC000472327453 250146595 /nfs/dbraw/zinc/14/65/95/250146595.db2.gz MDJKMQDISUTYFC-IIAWOOMASA-N 1 1 353.423 0.874 20 5 FCBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000481677555 250350631 /nfs/dbraw/zinc/35/06/31/250350631.db2.gz OHDXHPINIIPMAH-CABCVRRESA-N 1 1 373.413 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COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000266767964 210399454 /nfs/dbraw/zinc/39/94/54/210399454.db2.gz ZZJLFXXGJMZZOJ-UHFFFAOYSA-N 1 1 352.391 0.926 20 5 FCBDMO CNS(=O)(=O)C1CC[NH+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000266560125 210357173 /nfs/dbraw/zinc/35/71/73/210357173.db2.gz XBRGKXCDXCTHQT-UHFFFAOYSA-N 1 1 373.431 0.996 20 5 FCBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[N@H+]2CCC[C@H]2C(N)=O)n1 ZINC000287576607 488883248 /nfs/dbraw/zinc/88/32/48/488883248.db2.gz XIDURTQCMJXPSW-NSHDSACASA-N 1 1 351.363 0.528 20 5 FCBDMO C[N@@H+]1C[C@H]2CN(C(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000279266578 488928552 /nfs/dbraw/zinc/92/85/52/488928552.db2.gz YEKFIMCSUXYVFO-TXEJJXNPSA-N 1 1 364.427 0.806 20 5 FCBDMO CNC(=O)C[NH+]1CCC(Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000025579956 487668425 /nfs/dbraw/zinc/66/84/25/487668425.db2.gz GTVRHGFFGFIOPJ-UHFFFAOYSA-N 1 1 360.374 0.454 20 5 FCBDMO Cn1c2ncn(CC[N@H+](C)Cc3ccccc3[N+](=O)[O-])c2c(=O)n(C)c1=O ZINC000026348535 487681653 /nfs/dbraw/zinc/68/16/53/487681653.db2.gz KQSDFXFERUFEKV-UHFFFAOYSA-N 1 1 372.385 0.474 20 5 FCBDMO Cn1c2ncn(CC[N@@H+](C)Cc3ccccc3[N+](=O)[O-])c2c(=O)n(C)c1=O ZINC000026348535 487681658 /nfs/dbraw/zinc/68/16/58/487681658.db2.gz KQSDFXFERUFEKV-UHFFFAOYSA-N 1 1 372.385 0.474 20 5 FCBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)COC[C@@H]3CCCO3)CC2)cn1 ZINC000027231636 487690890 /nfs/dbraw/zinc/69/08/90/487690890.db2.gz OCQLTONFSYZRAZ-CVEARBPZSA-N 1 1 366.418 0.668 20 5 FCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000032333926 487771272 /nfs/dbraw/zinc/77/12/72/487771272.db2.gz RCIGDHVNFVEBAH-UHFFFAOYSA-N 1 1 373.417 0.665 20 5 FCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000047699558 488043138 /nfs/dbraw/zinc/04/31/38/488043138.db2.gz PXCDAFIDABJRNY-CYBMUJFWSA-N 1 1 355.416 0.938 20 5 FCBDMO CCOc1ccc(NC(=O)CN2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000048616308 488076964 /nfs/dbraw/zinc/07/69/64/488076964.db2.gz GRKVACWYJKYGRW-UHFFFAOYSA-N 1 1 352.391 0.542 20 5 FCBDMO CC[NH+]1CCN(C(=O)CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000052930891 488186864 /nfs/dbraw/zinc/18/68/64/488186864.db2.gz MVZWTOJQLXGIPV-UHFFFAOYSA-N 1 1 370.431 0.574 20 5 FCBDMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000055246241 488239160 /nfs/dbraw/zinc/23/91/60/488239160.db2.gz WTHYVXMWLKJNAI-UHFFFAOYSA-N 1 1 374.394 0.176 20 5 FCBDMO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)CN1CC[NH+](C)CC1 ZINC000074137664 488387744 /nfs/dbraw/zinc/38/77/44/488387744.db2.gz DWOGRIATEBERHH-LLVKDONJSA-N 1 1 353.398 0.929 20 5 FCBDMO C[NH+](C)CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000268164207 488392093 /nfs/dbraw/zinc/39/20/93/488392093.db2.gz IQNPCWBBHLYMCQ-LBPRGKRZSA-N 1 1 373.406 0.925 20 5 FCBDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000268218161 488397739 /nfs/dbraw/zinc/39/77/39/488397739.db2.gz BZNQKQVEHDWDBT-UHFFFAOYSA-N 1 1 361.420 0.850 20 5 FCBDMO COc1cc(S(=O)(=O)NCc2c[nH+]c(N(C)C)n2C)ccc1[N+](=O)[O-] ZINC000268283719 488404389 /nfs/dbraw/zinc/40/43/89/488404389.db2.gz SDVLMCYFMRGGOQ-UHFFFAOYSA-N 1 1 369.403 0.881 20 5 FCBDMO C[C@H](O)C[N@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248827897 488503421 /nfs/dbraw/zinc/50/34/21/488503421.db2.gz HDJOWKNSSQITJM-KKUMJFAQSA-N 1 1 353.419 0.721 20 5 FCBDMO C[C@H](O)C[N@H+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000249499043 488510300 /nfs/dbraw/zinc/51/03/00/488510300.db2.gz HVFKKBIEMCELJQ-KBPBESRZSA-N 1 1 350.419 0.945 20 5 FCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000116344359 488547465 /nfs/dbraw/zinc/54/74/65/488547465.db2.gz BBUSMUGLLNDMIW-CQSZACIVSA-N 1 1 351.407 0.813 20 5 FCBDMO C[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000119024617 488555469 /nfs/dbraw/zinc/55/54/69/488555469.db2.gz QZBSTRXQBKITCZ-ABAIWWIYSA-N 1 1 360.374 0.624 20 5 FCBDMO C[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000119024617 488555471 /nfs/dbraw/zinc/55/54/71/488555471.db2.gz QZBSTRXQBKITCZ-ABAIWWIYSA-N 1 1 360.374 0.624 20 5 FCBDMO COC(C[N@@H+](CCCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)OC ZINC000272758700 488603560 /nfs/dbraw/zinc/60/35/60/488603560.db2.gz OYUVSPVXCMCINP-CQSZACIVSA-N 1 1 358.391 0.638 20 5 FCBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000263976536 488640626 /nfs/dbraw/zinc/64/06/26/488640626.db2.gz XRUGLAVUYMFJNC-ZDUSSCGKSA-N 1 1 365.390 0.368 20 5 FCBDMO C[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000131319055 488645120 /nfs/dbraw/zinc/64/51/20/488645120.db2.gz DMSOVWPZAXMKNH-AWEZNQCLSA-N 1 1 370.475 0.898 20 5 FCBDMO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000273349770 488645426 /nfs/dbraw/zinc/64/54/26/488645426.db2.gz OZVPZCZAWBRJMJ-OLZOCXBDSA-N 1 1 358.416 0.844 20 5 FCBDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000273349770 488645427 /nfs/dbraw/zinc/64/54/27/488645427.db2.gz OZVPZCZAWBRJMJ-OLZOCXBDSA-N 1 1 358.416 0.844 20 5 FCBDMO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000273349777 488645528 /nfs/dbraw/zinc/64/55/28/488645528.db2.gz OZVPZCZAWBRJMJ-STQMWFEESA-N 1 1 358.416 0.844 20 5 FCBDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000273349777 488645530 /nfs/dbraw/zinc/64/55/30/488645530.db2.gz OZVPZCZAWBRJMJ-STQMWFEESA-N 1 1 358.416 0.844 20 5 FCBDMO C[N@@H+](CC(=O)N1CCOCC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000274030383 488680150 /nfs/dbraw/zinc/68/01/50/488680150.db2.gz CLNHOGKHGPQCSG-CQSZACIVSA-N 1 1 353.375 0.125 20 5 FCBDMO C[N@H+](CC(=O)N1CCOCC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000274030383 488680153 /nfs/dbraw/zinc/68/01/53/488680153.db2.gz CLNHOGKHGPQCSG-CQSZACIVSA-N 1 1 353.375 0.125 20 5 FCBDMO COCC[N@H+]1CC[C@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000264534452 488683292 /nfs/dbraw/zinc/68/32/92/488683292.db2.gz HKHBKYKSJZEIJX-ZDUSSCGKSA-N 1 1 351.359 0.623 20 5 FCBDMO CCOC(=O)c1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC000264667729 488696360 /nfs/dbraw/zinc/69/63/60/488696360.db2.gz ITUFKURLBOOZDG-OAHLLOKOSA-N 1 1 364.402 0.747 20 5 FCBDMO CCOCC[NH+]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000264673698 488696751 /nfs/dbraw/zinc/69/67/51/488696751.db2.gz HIDAJMWKIGMPTM-UHFFFAOYSA-N 1 1 365.386 0.967 20 5 FCBDMO Cc1nn(CCC(=O)NC[C@@H](C)C[NH+]2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000150726246 488698849 /nfs/dbraw/zinc/69/88/49/488698849.db2.gz PXHCRIIUQFQIMW-GFCCVEGCSA-N 1 1 353.423 0.883 20 5 FCBDMO CC[N@@H+](CCO)CCNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000274568155 488720299 /nfs/dbraw/zinc/72/02/99/488720299.db2.gz QQIDOLNTLIIVLZ-LBPRGKRZSA-N 1 1 352.391 0.144 20 5 FCBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000153018727 488726277 /nfs/dbraw/zinc/72/62/77/488726277.db2.gz 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CC[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C[C@@H](C)O ZINC000174601741 488850294 /nfs/dbraw/zinc/85/02/94/488850294.db2.gz BAGLGIVJNPEUDL-CHWSQXEVSA-N 1 1 352.391 0.060 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(Cc3cccc(O)c3)CC2)c1 ZINC000174660808 488850490 /nfs/dbraw/zinc/85/04/90/488850490.db2.gz GQKWEDVWHHPBKJ-QGZVFWFLSA-N 1 1 361.402 0.676 20 5 FCBDMO Cc1csc(N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000174780505 488851267 /nfs/dbraw/zinc/85/12/67/488851267.db2.gz VCHRAGGOYWQIQK-CYBMUJFWSA-N 1 1 352.420 0.739 20 5 FCBDMO CCN(CC)C(=O)C[N@H+]1CCCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174818299 488851357 /nfs/dbraw/zinc/85/13/57/488851357.db2.gz WAKHTYJHNUJWMJ-UHFFFAOYSA-N 1 1 352.439 0.667 20 5 FCBDMO CCN(CC)C(=O)CN1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174818299 488851359 /nfs/dbraw/zinc/85/13/59/488851359.db2.gz WAKHTYJHNUJWMJ-UHFFFAOYSA-N 1 1 352.439 0.667 20 5 FCBDMO CCN(CC)C(=O)CN1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174818299 488851360 /nfs/dbraw/zinc/85/13/60/488851360.db2.gz WAKHTYJHNUJWMJ-UHFFFAOYSA-N 1 1 352.439 0.667 20 5 FCBDMO O=C(CN1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1)N1CCCC1 ZINC000176203775 488857671 /nfs/dbraw/zinc/85/76/71/488857671.db2.gz GVPBPMYHBBGYFZ-UHFFFAOYSA-N 1 1 350.423 0.421 20 5 FCBDMO O=C(C[N@H+]1CCCN(CCn2ccc([N+](=O)[O-])n2)CC1)N1CCCC1 ZINC000176203775 488857672 /nfs/dbraw/zinc/85/76/72/488857672.db2.gz GVPBPMYHBBGYFZ-UHFFFAOYSA-N 1 1 350.423 0.421 20 5 FCBDMO O=C(C[N@@H+]1CCCN(CCn2ccc([N+](=O)[O-])n2)CC1)N1CCCC1 ZINC000176203775 488857673 /nfs/dbraw/zinc/85/76/73/488857673.db2.gz GVPBPMYHBBGYFZ-UHFFFAOYSA-N 1 1 350.423 0.421 20 5 FCBDMO C[C@@H]1C[C@@H](NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000178004540 488859911 /nfs/dbraw/zinc/85/99/11/488859911.db2.gz YDGFGSADKXJEOJ-OLZOCXBDSA-N 1 1 356.448 0.945 20 5 FCBDMO C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000178004540 488859914 /nfs/dbraw/zinc/85/99/14/488859914.db2.gz YDGFGSADKXJEOJ-OLZOCXBDSA-N 1 1 356.448 0.945 20 5 FCBDMO Cc1c(NC(=O)C(=O)NCCC[N@H+](C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000288761724 489013514 /nfs/dbraw/zinc/01/35/14/489013514.db2.gz IZVQYVYXMVQSFA-UHFFFAOYSA-N 1 1 365.434 0.841 20 5 FCBDMO Cc1c(NC(=O)C(=O)NCCCN(C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000288761724 489013516 /nfs/dbraw/zinc/01/35/16/489013516.db2.gz IZVQYVYXMVQSFA-UHFFFAOYSA-N 1 1 365.434 0.841 20 5 FCBDMO O=C(C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000281365349 489070082 /nfs/dbraw/zinc/07/00/82/489070082.db2.gz OCXHJYRSOAJSGY-OCCSQVGLSA-N 1 1 360.370 0.914 20 5 FCBDMO O=C(C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000281365349 489070085 /nfs/dbraw/zinc/07/00/85/489070085.db2.gz OCXHJYRSOAJSGY-OCCSQVGLSA-N 1 1 360.370 0.914 20 5 FCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000281517151 489082421 /nfs/dbraw/zinc/08/24/21/489082421.db2.gz IDCPYCNRCYWVFF-CHWSQXEVSA-N 1 1 365.386 0.700 20 5 FCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000281517151 489082423 /nfs/dbraw/zinc/08/24/23/489082423.db2.gz IDCPYCNRCYWVFF-CHWSQXEVSA-N 1 1 365.386 0.700 20 5 FCBDMO C[N@H+]1CCN(CCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1(C)C ZINC000281591233 489089381 /nfs/dbraw/zinc/08/93/81/489089381.db2.gz GYHYZYMBZGPRSD-UHFFFAOYSA-N 1 1 371.463 0.680 20 5 FCBDMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000366062701 489140406 /nfs/dbraw/zinc/14/04/06/489140406.db2.gz SMGWRVCLRSXZEN-CQSZACIVSA-N 1 1 366.393 0.870 20 5 FCBDMO CN(C)CC[N@@H+](C)CCCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000290744416 489162201 /nfs/dbraw/zinc/16/22/01/489162201.db2.gz XSKIIIDDCWVFGL-UHFFFAOYSA-N 1 1 365.434 0.324 20 5 FCBDMO CN(CCCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000290744416 489162203 /nfs/dbraw/zinc/16/22/03/489162203.db2.gz XSKIIIDDCWVFGL-UHFFFAOYSA-N 1 1 365.434 0.324 20 5 FCBDMO C[N@@H+](C[C@@H](O)CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000290760018 489163513 /nfs/dbraw/zinc/16/35/13/489163513.db2.gz JYTVTZUXPZTASC-RHSMWYFYSA-N 1 1 362.386 0.817 20 5 FCBDMO C[N@@H+](C[C@@H](O)CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000290760017 489163771 /nfs/dbraw/zinc/16/37/71/489163771.db2.gz JYTVTZUXPZTASC-PBHICJAKSA-N 1 1 362.386 0.817 20 5 FCBDMO C[N@@H+](C[C@H](O)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C1CC1 ZINC000290762374 489164258 /nfs/dbraw/zinc/16/42/58/489164258.db2.gz KETKTPQNKJGJKR-YOEHRIQHSA-N 1 1 362.386 0.817 20 5 FCBDMO O=C([C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCSCC1 ZINC000369825054 489280194 /nfs/dbraw/zinc/28/01/94/489280194.db2.gz QTCFELVQZDJPMX-KGLIPLIRSA-N 1 1 369.447 0.192 20 5 FCBDMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000298430625 489325589 /nfs/dbraw/zinc/32/55/89/489325589.db2.gz ZNWSNKAIAGHZDP-UHFFFAOYSA-N 1 1 365.390 0.935 20 5 FCBDMO COc1ccc(NC(=O)CC[N@@H+](C[C@H](C)O)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000298499582 489332057 /nfs/dbraw/zinc/33/20/57/489332057.db2.gz JZERZPJKUXGCBC-RYUDHWBXSA-N 1 1 355.391 0.996 20 5 FCBDMO NS(=O)(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000370253521 489335121 /nfs/dbraw/zinc/33/51/21/489335121.db2.gz SMVVEZJEGZRPKJ-NSHDSACASA-N 1 1 356.404 0.676 20 5 FCBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000362218330 489379090 /nfs/dbraw/zinc/37/90/90/489379090.db2.gz KUNQLABOPCLSEM-JKSUJKDBSA-N 1 1 351.403 0.741 20 5 FCBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000362708025 489393408 /nfs/dbraw/zinc/39/34/08/489393408.db2.gz AQQMZFQSWGDLCV-ZDUSSCGKSA-N 1 1 350.423 0.466 20 5 FCBDMO C[NH+]1CCC(N2CC[C@H](NC(=O)CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000362708025 489393411 /nfs/dbraw/zinc/39/34/11/489393411.db2.gz AQQMZFQSWGDLCV-ZDUSSCGKSA-N 1 1 350.423 0.466 20 5 FCBDMO CCNC(=O)C[N@@H+]1CCCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000299379668 489436495 /nfs/dbraw/zinc/43/64/95/489436495.db2.gz YYDHANDMACMFHU-UHFFFAOYSA-N 1 1 363.418 0.603 20 5 FCBDMO CCNC(=O)C[N@H+]1CCCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000299379668 489436497 /nfs/dbraw/zinc/43/64/97/489436497.db2.gz YYDHANDMACMFHU-UHFFFAOYSA-N 1 1 363.418 0.603 20 5 FCBDMO CCn1cc(S(=O)(=O)NC[C@@H](C)Cn2cc[nH+]c2C)c([N+](=O)[O-])n1 ZINC000414472946 489500708 /nfs/dbraw/zinc/50/07/08/489500708.db2.gz URNMWMYEZKDXGI-SNVBAGLBSA-N 1 1 356.408 0.931 20 5 FCBDMO CNc1nc(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000456065115 489605969 /nfs/dbraw/zinc/60/59/69/489605969.db2.gz KVUCWIHXMRGUMI-GFCCVEGCSA-N 1 1 350.423 0.787 20 5 FCBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000427494020 489611878 /nfs/dbraw/zinc/61/18/78/489611878.db2.gz ZYXHCFRISGUYDD-SNVBAGLBSA-N 1 1 358.420 0.701 20 5 FCBDMO C[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000456232811 489612535 /nfs/dbraw/zinc/61/25/35/489612535.db2.gz XBFARHKECFZJIH-BETUJISGSA-N 1 1 364.402 0.238 20 5 FCBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000456389503 489616096 /nfs/dbraw/zinc/61/60/96/489616096.db2.gz UZIOBGUMNFRCRF-LBPRGKRZSA-N 1 1 370.431 0.799 20 5 FCBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000456389503 489616100 /nfs/dbraw/zinc/61/61/00/489616100.db2.gz UZIOBGUMNFRCRF-LBPRGKRZSA-N 1 1 370.431 0.799 20 5 FCBDMO Cc1c(C(=O)N2CC[N@H+](C)CC[C@@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000469506285 489709759 /nfs/dbraw/zinc/70/97/59/489709759.db2.gz FEUSCTVCCOHDLL-JTQLQIEISA-N 1 1 370.431 0.717 20 5 FCBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000376664549 489772815 /nfs/dbraw/zinc/77/28/15/489772815.db2.gz QFSDUDQOSQCBLL-MFKMUULPSA-N 1 1 368.415 0.408 20 5 FCBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000563989878 491282523 /nfs/dbraw/zinc/28/25/23/491282523.db2.gz MNCTTWTZOJDZQR-NSHDSACASA-N 1 1 356.404 0.408 20 5 FCBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000563989878 491282525 /nfs/dbraw/zinc/28/25/25/491282525.db2.gz MNCTTWTZOJDZQR-NSHDSACASA-N 1 1 356.404 0.408 20 5 FCBDMO COC(=O)COc1ccc(C[N@@H+](C)CCN2CCOCC2)cc1[N+](=O)[O-] ZINC000475712579 489844170 /nfs/dbraw/zinc/84/41/70/489844170.db2.gz BISRHVDYUOVFEP-UHFFFAOYSA-N 1 1 367.402 0.911 20 5 FCBDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000493965212 489864800 /nfs/dbraw/zinc/86/48/00/489864800.db2.gz NJXXPIAOCMKJQL-UPJWGTAASA-N 1 1 352.395 0.287 20 5 FCBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000476360511 489882772 /nfs/dbraw/zinc/88/27/72/489882772.db2.gz YBIOIDLEQGWFPV-LLVKDONJSA-N 1 1 352.395 0.001 20 5 FCBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000476664133 489907607 /nfs/dbraw/zinc/90/76/07/489907607.db2.gz UFVGLZAQVPHTDY-AWEZNQCLSA-N 1 1 359.386 0.825 20 5 FCBDMO CNC(=O)c1ccc(NC[C@](C)(O)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000462875906 489993992 /nfs/dbraw/zinc/99/39/92/489993992.db2.gz CKLBJNLPJZODLO-INIZCTEOSA-N 1 1 352.391 0.450 20 5 FCBDMO O=C1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CN1CCN1CCOCC1 ZINC000478258903 490012395 /nfs/dbraw/zinc/01/23/95/490012395.db2.gz PIUCCMBLCJMZIK-AWEZNQCLSA-N 1 1 366.393 0.757 20 5 FCBDMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000478767222 490036028 /nfs/dbraw/zinc/03/60/28/490036028.db2.gz YOIHGAMWNFVFMQ-UHFFFAOYSA-N 1 1 363.418 0.913 20 5 FCBDMO CCOC(=O)CC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421028381 490044322 /nfs/dbraw/zinc/04/43/22/490044322.db2.gz UJTPMOZBSXACNC-UHFFFAOYSA-N 1 1 359.404 0.758 20 5 FCBDMO COCC[N@@H+](C)CCCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465020709 490075529 /nfs/dbraw/zinc/07/55/29/490075529.db2.gz IWRYABKCQZCUNF-UHFFFAOYSA-N 1 1 367.402 0.993 20 5 FCBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000479483763 490094338 /nfs/dbraw/zinc/09/43/38/490094338.db2.gz FWBJYJAKJASAKI-CYBMUJFWSA-N 1 1 352.391 0.230 20 5 FCBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000421707503 490099242 /nfs/dbraw/zinc/09/92/42/490099242.db2.gz XSCGEHOEMGGVEA-CYBMUJFWSA-N 1 1 362.386 0.873 20 5 FCBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000378619790 490116690 /nfs/dbraw/zinc/11/66/90/490116690.db2.gz JGKWUYOLHVONHE-JSGCOSHPSA-N 1 1 370.431 0.278 20 5 FCBDMO Cc1[nH]nc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000497462866 490164379 /nfs/dbraw/zinc/16/43/79/490164379.db2.gz PZKAEACAAWGGKL-AAEUAGOBSA-N 1 1 350.423 0.724 20 5 FCBDMO COc1ccc(CC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000520717939 490181987 /nfs/dbraw/zinc/18/19/87/490181987.db2.gz ZOZCTKAHQCIPLJ-ZDUSSCGKSA-N 1 1 350.419 0.898 20 5 FCBDMO COC[C@H](C)OC[C@@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000447305190 490216234 /nfs/dbraw/zinc/21/62/34/490216234.db2.gz LDAUMGWYZWMYDN-GUTXKFCHSA-N 1 1 354.407 0.888 20 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CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423041642 490528517 /nfs/dbraw/zinc/52/85/17/490528517.db2.gz XLSRKGHDEYBKOU-UONOGXRCSA-N 1 1 371.415 0.252 20 5 FCBDMO C[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CC[NH+](C)CC1 ZINC000524572342 490544599 /nfs/dbraw/zinc/54/45/99/490544599.db2.gz UVKPRKODKFKSMB-ZIAGYGMSSA-N 1 1 362.434 0.639 20 5 FCBDMO C[N@@H+](CCNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000485617537 490548294 /nfs/dbraw/zinc/54/82/94/490548294.db2.gz FDPDOTKMZLXJJF-UHFFFAOYSA-N 1 1 360.374 0.298 20 5 FCBDMO COc1ccc(S(=O)(=O)N(CCN(C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000524709629 490551967 /nfs/dbraw/zinc/55/19/67/490551967.db2.gz RCOJXDDQJZHMGJ-UHFFFAOYSA-N 1 1 374.463 0.717 20 5 FCBDMO CC[NH+]1CCN(C(=O)CNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000549310728 490574658 /nfs/dbraw/zinc/57/46/58/490574658.db2.gz MLJFIXTUWSGXOR-UHFFFAOYSA-N 1 1 366.422 0.079 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000511431696 490594863 /nfs/dbraw/zinc/59/48/63/490594863.db2.gz XMLSIBDPJCYCGP-ZDUSSCGKSA-N 1 1 373.373 0.275 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000511431696 490594871 /nfs/dbraw/zinc/59/48/71/490594871.db2.gz XMLSIBDPJCYCGP-ZDUSSCGKSA-N 1 1 373.373 0.275 20 5 FCBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000550158209 490632735 /nfs/dbraw/zinc/63/27/35/490632735.db2.gz QURKXXJGJGOUOC-ZYHUDNBSSA-N 1 1 370.431 0.654 20 5 FCBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000512132994 490661145 /nfs/dbraw/zinc/66/11/45/490661145.db2.gz WVAWUUDQQBFMCZ-QWRGUYRKSA-N 1 1 360.370 0.742 20 5 FCBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000487159081 490698601 /nfs/dbraw/zinc/69/86/01/490698601.db2.gz WKAMQUVQKRGTKG-FZMZJTMJSA-N 1 1 355.416 0.682 20 5 FCBDMO C[C@](O)(CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C[NH+]1CCOCC1 ZINC000542714690 490905409 /nfs/dbraw/zinc/90/54/09/490905409.db2.gz QYGKCNAYZAGIMA-HNNXBMFYSA-N 1 1 356.354 0.939 20 5 FCBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000542971784 490917174 /nfs/dbraw/zinc/91/71/74/490917174.db2.gz UGRSCOXXWIMJFA-MRXNPFEDSA-N 1 1 353.375 0.877 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000519144471 490963006 /nfs/dbraw/zinc/96/30/06/490963006.db2.gz IWGJLGGORRBZNB-AWEZNQCLSA-N 1 1 363.418 0.981 20 5 FCBDMO C[NH+]1CCN(c2ccc(-c3noc(Cn4cnc([N+](=O)[O-])n4)n3)cn2)CC1 ZINC000545018400 490986810 /nfs/dbraw/zinc/98/68/10/490986810.db2.gz VRWVGCLIJJAFGO-UHFFFAOYSA-N 1 1 371.361 0.431 20 5 FCBDMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)c1c[nH]nc1[N+](=O)[O-] ZINC000558764653 491445289 /nfs/dbraw/zinc/44/52/89/491445289.db2.gz NVRAQRVPFBVHNR-UKRRQHHQSA-N 1 1 359.386 0.931 20 5 FCBDMO CNc1nccc(C(=O)NCCCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000566688313 491460602 /nfs/dbraw/zinc/46/06/02/491460602.db2.gz ZCVSJFMUOFMJCY-UHFFFAOYSA-N 1 1 350.423 0.789 20 5 FCBDMO C[C@@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@H](C)[N@H+]1CCO ZINC000568356264 491571430 /nfs/dbraw/zinc/57/14/30/491571430.db2.gz YJDPANPNLLLPCQ-PHIMTYICSA-N 1 1 358.420 0.134 20 5 FCBDMO C[C@@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@H](C)[N@@H+]1CCO ZINC000568356264 491571431 /nfs/dbraw/zinc/57/14/31/491571431.db2.gz YJDPANPNLLLPCQ-PHIMTYICSA-N 1 1 358.420 0.134 20 5 FCBDMO CC[N@@H+](C)C[C@@H](O)CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000584540383 491602442 /nfs/dbraw/zinc/60/24/42/491602442.db2.gz WTLIOPAGOGUZDL-CJNGLKHVSA-N 1 1 350.375 0.674 20 5 FCBDMO Cc1nn(CCC(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)c(C)c1[N+](=O)[O-] ZINC000588860619 491750537 /nfs/dbraw/zinc/75/05/37/491750537.db2.gz KEUQZSKKXPBJNC-KGLIPLIRSA-N 1 1 351.407 0.466 20 5 FCBDMO CN(c1nccc(C(N)=O)c1[N+](=O)[O-])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000589572706 491763994 /nfs/dbraw/zinc/76/39/94/491763994.db2.gz QSCPWZGARSHBPD-ZDUSSCGKSA-N 1 1 362.434 0.693 20 5 FCBDMO CN(c1nccc(C(N)=O)c1[N+](=O)[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000589572706 491763995 /nfs/dbraw/zinc/76/39/95/491763995.db2.gz QSCPWZGARSHBPD-ZDUSSCGKSA-N 1 1 362.434 0.693 20 5 FCBDMO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581262059 491766352 /nfs/dbraw/zinc/76/63/52/491766352.db2.gz MGFBYJMCGCXTLY-UHFFFAOYSA-N 1 1 373.369 0.980 20 5 FCBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000590522881 491778000 /nfs/dbraw/zinc/77/80/00/491778000.db2.gz DFNQSZCMGSYZEY-ZDUSSCGKSA-N 1 1 364.402 0.886 20 5 FCBDMO COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000582368076 491809620 /nfs/dbraw/zinc/80/96/20/491809620.db2.gz ULDRSFHWJXZKDQ-HIFRSBDPSA-N 1 1 353.423 0.415 20 5 FCBDMO COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000582368076 491809621 /nfs/dbraw/zinc/80/96/21/491809621.db2.gz ULDRSFHWJXZKDQ-HIFRSBDPSA-N 1 1 353.423 0.415 20 5 FCBDMO COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000582368076 491809623 /nfs/dbraw/zinc/80/96/23/491809623.db2.gz ULDRSFHWJXZKDQ-HIFRSBDPSA-N 1 1 353.423 0.415 20 5 FCBDMO CC(C)N1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000582720667 491824031 /nfs/dbraw/zinc/82/40/31/491824031.db2.gz BIEFAWWUCJCROR-GFCCVEGCSA-N 1 1 355.416 0.967 20 5 FCBDMO C[C@@H](CN1CCN(C)CC1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000582900486 491831353 /nfs/dbraw/zinc/83/13/53/491831353.db2.gz OXYOXAACNZNDHO-GOEBONIOSA-N 1 1 352.435 0.560 20 5 FCBDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000592388794 491836453 /nfs/dbraw/zinc/83/64/53/491836453.db2.gz OHOFDPFZHFXSEG-GFCCVEGCSA-N 1 1 357.388 0.429 20 5 FCBDMO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000594842253 491864900 /nfs/dbraw/zinc/86/49/00/491864900.db2.gz DIVYJRDUTHXDDZ-UHFFFAOYSA-N 1 1 372.447 0.544 20 5 FCBDMO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000600809124 491883934 /nfs/dbraw/zinc/88/39/34/491883934.db2.gz SYWBGHFUYBUSKK-LBPRGKRZSA-N 1 1 355.416 0.476 20 5 FCBDMO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NCC[N@H+]2CC[C@H](O)C2)c1 ZINC000600807447 491884063 /nfs/dbraw/zinc/88/40/63/491884063.db2.gz CZNIRCJITLXWPB-INIZCTEOSA-N 1 1 373.413 0.944 20 5 FCBDMO C[N@@H+](CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000600817551 491884451 /nfs/dbraw/zinc/88/44/51/491884451.db2.gz PEOWGYMNHLFLMG-UHFFFAOYSA-N 1 1 370.431 0.474 20 5 FCBDMO CC(C)(CO)[NH+]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000612659072 491942532 /nfs/dbraw/zinc/94/25/32/491942532.db2.gz UOPYWEDTQUGAPE-UHFFFAOYSA-N 1 1 358.420 0.135 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](CCN2CCOCC2)CC2CC2)c1 ZINC000595809011 491954861 /nfs/dbraw/zinc/95/48/61/491954861.db2.gz QXKAPHCWWQEHRQ-INIZCTEOSA-N 1 1 353.423 0.196 20 5 FCBDMO Cc1cc(CO)cc(NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596088254 491975084 /nfs/dbraw/zinc/97/50/84/491975084.db2.gz NNPUNSSYXUPPBO-UHFFFAOYSA-N 1 1 366.399 1.181 20 5 FCBDMO C[C@@H](Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@@H](C)[NH+]1CCOCC1 ZINC000596114689 491975859 /nfs/dbraw/zinc/97/58/59/491975859.db2.gz MXLJHUOXRLNKIR-GHMZBOCLSA-N 1 1 358.420 0.763 20 5 FCBDMO C[C@@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000596220865 491979960 /nfs/dbraw/zinc/97/99/60/491979960.db2.gz DYMKXHNIYMODOL-LLVKDONJSA-N 1 1 372.447 0.524 20 5 FCBDMO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596231177 491980921 /nfs/dbraw/zinc/98/09/21/491980921.db2.gz GYYWYDWDVFGTFI-AAEUAGOBSA-N 1 1 370.431 0.542 20 5 FCBDMO C[C@H]1C[N@H+](CCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000596434421 491986021 /nfs/dbraw/zinc/98/60/21/491986021.db2.gz YDLYASWHUADSDT-QWRGUYRKSA-N 1 1 358.420 0.763 20 5 FCBDMO C[C@H]1C[N@@H+](CCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000596434421 491986024 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CCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000598342432 492095395 /nfs/dbraw/zinc/09/53/95/492095395.db2.gz IOJNMNLGWVLUHA-CYBMUJFWSA-N 1 1 364.402 0.934 20 5 FCBDMO COC(=O)c1ccnc(NCCCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000598589069 492105962 /nfs/dbraw/zinc/10/59/62/492105962.db2.gz CUTHTJFQACQDNL-UHFFFAOYSA-N 1 1 351.407 1.216 20 5 FCBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598606102 492107873 /nfs/dbraw/zinc/10/78/73/492107873.db2.gz FQTKGNBEGFADEI-GFCCVEGCSA-N 1 1 359.390 0.949 20 5 FCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)c2ncccc12 ZINC000599108764 492136567 /nfs/dbraw/zinc/13/65/67/492136567.db2.gz VIUMCKDVPBLGST-SNVBAGLBSA-N 1 1 352.372 0.410 20 5 FCBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000608861372 492194493 /nfs/dbraw/zinc/19/44/93/492194493.db2.gz QIRQNEIDEVVOND-CYBMUJFWSA-N 1 1 363.374 0.250 20 5 FCBDMO CNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000609543867 492213353 /nfs/dbraw/zinc/21/33/53/492213353.db2.gz YRUAUDXJNGTZLO-SMDDNHRTSA-N 1 1 360.370 0.685 20 5 FCBDMO CNC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000609543867 492213355 /nfs/dbraw/zinc/21/33/55/492213355.db2.gz YRUAUDXJNGTZLO-SMDDNHRTSA-N 1 1 360.370 0.685 20 5 FCBDMO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000609571504 492214356 /nfs/dbraw/zinc/21/43/56/492214356.db2.gz BMFFLVNZXKKJQT-GFCCVEGCSA-N 1 1 350.423 0.535 20 5 FCBDMO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000609571504 492214357 /nfs/dbraw/zinc/21/43/57/492214357.db2.gz BMFFLVNZXKKJQT-GFCCVEGCSA-N 1 1 350.423 0.535 20 5 FCBDMO C[C@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1C[N@H+](C)CCO1 ZINC000618394745 492227642 /nfs/dbraw/zinc/22/76/42/492227642.db2.gz NHQKJFUYDXWSIZ-HZMBPMFUSA-N 1 1 362.390 0.989 20 5 FCBDMO C[C@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000618394745 492227644 /nfs/dbraw/zinc/22/76/44/492227644.db2.gz NHQKJFUYDXWSIZ-HZMBPMFUSA-N 1 1 362.390 0.989 20 5 FCBDMO COC(=O)c1cc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC000610900978 492267707 /nfs/dbraw/zinc/26/77/07/492267707.db2.gz SYBCJRVLTIXXHI-IINYFYTJSA-N 1 1 351.359 0.830 20 5 FCBDMO COC(=O)c1cc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC000610900978 492267709 /nfs/dbraw/zinc/26/77/09/492267709.db2.gz SYBCJRVLTIXXHI-IINYFYTJSA-N 1 1 351.359 0.830 20 5 FCBDMO C[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000610901158 492267787 /nfs/dbraw/zinc/26/77/87/492267787.db2.gz LQYMIKWTHOSMGD-RISCZKNCSA-N 1 1 350.375 0.160 20 5 FCBDMO C[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610901158 492267788 /nfs/dbraw/zinc/26/77/88/492267788.db2.gz LQYMIKWTHOSMGD-RISCZKNCSA-N 1 1 350.375 0.160 20 5 FCBDMO NC(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000545466897 546886992 /nfs/dbraw/zinc/88/69/92/546886992.db2.gz FIKKLEWSKFEWKU-CYBMUJFWSA-N 1 1 356.404 0.213 20 5 FCBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000545466897 546886993 /nfs/dbraw/zinc/88/69/93/546886993.db2.gz FIKKLEWSKFEWKU-CYBMUJFWSA-N 1 1 356.404 0.213 20 5 FCBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000592204917 546946462 /nfs/dbraw/zinc/94/64/62/546946462.db2.gz BJBRCRVOKPLGPU-BNOWGMLFSA-N 1 1 354.359 0.190 20 5 FCBDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000592389606 546949533 /nfs/dbraw/zinc/94/95/33/546949533.db2.gz YWBAYUWCQUNXEV-ZDUSSCGKSA-N 1 1 371.415 0.737 20 5 FCBDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000592387815 546949655 /nfs/dbraw/zinc/94/96/55/546949655.db2.gz CAJJEKNPISKNES-LLVKDONJSA-N 1 1 373.387 0.129 20 5 FCBDMO CN(C)S(=O)(=O)c1ccc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000593502405 546969227 /nfs/dbraw/zinc/96/92/27/546969227.db2.gz AVSKMTPPHYAKNM-GFCCVEGCSA-N 1 1 370.431 0.100 20 5 FCBDMO CN(C)S(=O)(=O)c1ccc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000593502405 546969230 /nfs/dbraw/zinc/96/92/30/546969230.db2.gz AVSKMTPPHYAKNM-GFCCVEGCSA-N 1 1 370.431 0.100 20 5 FCBDMO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568915021 568254324 /nfs/dbraw/zinc/25/43/24/568254324.db2.gz QTXAMPASGIXDKI-UHFFFAOYSA-N 1 1 368.357 0.861 20 5 FCBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC2)C1 ZINC000736854197 599060308 /nfs/dbraw/zinc/06/03/08/599060308.db2.gz BJCFBWPUTYUJGW-CQSZACIVSA-N 1 1 372.433 0.991 20 5 FCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000737746878 598374275 /nfs/dbraw/zinc/37/42/75/598374275.db2.gz SSNAWSURXPMKAO-GFCCVEGCSA-N 1 1 374.405 0.774 20 5 FCBDMO CC(C)C[N@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000820092172 599311058 /nfs/dbraw/zinc/31/10/58/599311058.db2.gz IFONODKJYWCUPN-LBPRGKRZSA-N 1 1 362.394 0.939 20 5 FCBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000953926940 674486445 /nfs/dbraw/zinc/48/64/45/674486445.db2.gz JGFXLWHOHZBMNE-ZIAGYGMSSA-N 1 1 350.419 0.197 20 5 FCBDMO CC[NH+](CC)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825411723 607571077 /nfs/dbraw/zinc/57/10/77/607571077.db2.gz DQCMKCKPDYENKC-UHFFFAOYSA-N 1 1 369.407 0.395 20 5 FCBDMO C[N@@H+](CCCO)C1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821600369 606711010 /nfs/dbraw/zinc/71/10/10/606711010.db2.gz JOXLTCZCONCBAU-UHFFFAOYSA-N 1 1 362.394 0.453 20 5 FCBDMO Cn1ncc([N+](=O)[O-])c1N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000892433101 663895863 /nfs/dbraw/zinc/89/58/63/663895863.db2.gz YJEQONLTFFTLFF-UHFFFAOYSA-N 1 1 350.423 0.709 20 5 FCBDMO CC(C)(C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)[NH+]1CCCCC1 ZINC000974110269 664222425 /nfs/dbraw/zinc/22/24/25/664222425.db2.gz RMJDLSQSCGCEQZ-XJFOESAGSA-N 1 1 352.435 0.680 20 5 FCBDMO C[NH+]1CCC(CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000978800373 664445547 /nfs/dbraw/zinc/44/55/47/664445547.db2.gz PNYVMBKCQMVIJO-LXTVHRRPSA-N 1 1 352.435 0.395 20 5 FCBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ncnn2CC(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983654597 664978992 /nfs/dbraw/zinc/97/89/92/664978992.db2.gz OVQCIBJYMXYMLS-GWOFURMSSA-N 1 1 358.349 0.193 20 5 FCBDMO CN(CC1CCN(C(=O)C[NH+]2CCCC2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000988540229 665298137 /nfs/dbraw/zinc/29/81/37/665298137.db2.gz WPRHLIZLSKKLCB-HUUCEWRRSA-N 1 1 352.435 0.444 20 5 FCBDMO Cc1cc(S(=O)(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000920009795 667218900 /nfs/dbraw/zinc/21/89/00/667218900.db2.gz MXNDRHHOKGJVIO-IUODEOHRSA-N 1 1 356.448 0.816 20 5 FCBDMO Cc1cc(S(=O)(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000920009795 667218903 /nfs/dbraw/zinc/21/89/03/667218903.db2.gz MXNDRHHOKGJVIO-IUODEOHRSA-N 1 1 356.448 0.816 20 5 FCBDMO C[C@H]1CN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000742197106 668028385 /nfs/dbraw/zinc/02/83/85/668028385.db2.gz UMCFABATGSKMRL-JTQLQIEISA-N 1 1 352.416 0.948 20 5 FCBDMO C[C@H]1CN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000742197106 668028387 /nfs/dbraw/zinc/02/83/87/668028387.db2.gz UMCFABATGSKMRL-JTQLQIEISA-N 1 1 352.416 0.948 20 5 FCBDMO CSc1cccc(C(=O)NC2CC[NH+](CC(N)=O)CC2)c1[N+](=O)[O-] ZINC000777096977 668308969 /nfs/dbraw/zinc/30/89/69/668308969.db2.gz FAXAWMFQGCQARO-UHFFFAOYSA-N 1 1 352.416 0.996 20 5 FCBDMO NS(=O)(=O)c1cc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc([N+](=O)[O-])c1 ZINC000785801205 668732267 /nfs/dbraw/zinc/73/22/67/668732267.db2.gz QCQMAPNXRUGXFT-DGCLKSJQSA-N 1 1 356.404 0.517 20 5 FCBDMO NS(=O)(=O)c1cc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc([N+](=O)[O-])c1 ZINC000785801206 668732299 /nfs/dbraw/zinc/73/22/99/668732299.db2.gz QCQMAPNXRUGXFT-WCQYABFASA-N 1 1 356.404 0.517 20 5 FCBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000827350949 669557680 /nfs/dbraw/zinc/55/76/80/669557680.db2.gz ZFCUJKIHDDTZGZ-HZPDHXFCSA-N 1 1 351.403 0.981 20 5 FCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(c3ccnc(F)c3)CC2)c1 ZINC000831454224 669846523 /nfs/dbraw/zinc/84/65/23/669846523.db2.gz GVVMDTDPJCULHM-CQSZACIVSA-N 1 1 350.354 0.509 20 5 FCBDMO C[C@@H](CCO)[N@@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000844448352 670923523 /nfs/dbraw/zinc/92/35/23/670923523.db2.gz ZMHHNFPVUKTAKJ-AWEZNQCLSA-N 1 1 350.419 0.946 20 5 FCBDMO COCCOCC[NH+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000844468270 670924919 /nfs/dbraw/zinc/92/49/19/670924919.db2.gz SWUPDEZIDUWECD-KRWDZBQOSA-N 1 1 353.419 0.909 20 5 FCBDMO COC(CC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC ZINC000852184773 671493665 /nfs/dbraw/zinc/49/36/65/671493665.db2.gz OUHONBRKDCKVTC-UHFFFAOYSA-N 1 1 361.420 0.814 20 5 FCBDMO O=C1OCCN1[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000852438362 671507536 /nfs/dbraw/zinc/50/75/36/671507536.db2.gz PFFYYTRLKBXWKN-OLZOCXBDSA-N 1 1 351.359 0.861 20 5 FCBDMO CN1CC[NH+](C2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000867816919 672371573 /nfs/dbraw/zinc/37/15/73/672371573.db2.gz OXDMRLVIIUYMPA-UHFFFAOYSA-N 1 1 368.459 0.995 20 5 FCBDMO O=C(/C=C/C1CC1)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575034 676024682 /nfs/dbraw/zinc/02/46/82/676024682.db2.gz IYBKISJEYIIXNS-LRPXVYOUSA-N 1 1 350.419 0.315 20 5 FCBDMO O=C(CC(F)(F)F)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055574880 676024704 /nfs/dbraw/zinc/02/47/04/676024704.db2.gz BNVHLSDSSCWDSH-GHMZBOCLSA-N 1 1 366.340 0.301 20 5 FCBDMO CC1(CC(=O)NCC[NH+]2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001055601474 676026390 /nfs/dbraw/zinc/02/63/90/676026390.db2.gz VHXIXSHXCFENQR-ZIAGYGMSSA-N 1 1 352.435 0.539 20 5 FCBDMO O=C(C[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)N1CCCCC1 ZINC001001396304 676070944 /nfs/dbraw/zinc/07/09/44/676070944.db2.gz PDMIXKGTIHKDSP-HUUCEWRRSA-N 1 1 352.435 0.492 20 5 FCBDMO CC(C)(CCC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[N+](=O)[O-] ZINC000882636740 673330144 /nfs/dbraw/zinc/33/01/44/673330144.db2.gz WKRICIXBJXNCEQ-HNNXBMFYSA-N 1 1 356.467 0.735 20 5 FCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001011112787 675373145 /nfs/dbraw/zinc/37/31/45/675373145.db2.gz KFFXPXRISAFDFI-ZIAGYGMSSA-N 1 1 350.419 0.198 20 5 FCBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000800622299 675683254 /nfs/dbraw/zinc/68/32/54/675683254.db2.gz JWYUFVVCUFKONJ-HNNXBMFYSA-N 1 1 354.338 0.164 20 5 FCBDMO Cc1[nH+]ccn1CCCOC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000801440557 675785298 /nfs/dbraw/zinc/78/52/98/675785298.db2.gz RNHBFGONBITHAJ-UHFFFAOYSA-N 1 1 368.371 0.994 20 5 FCBDMO CCS(=O)(=O)c1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001691315042 1171076557 /nfs/dbraw/zinc/07/65/57/1171076557.db2.gz QMXDQCHCBYTXNW-HUUCEWRRSA-N 1 1 369.443 0.693 20 5 FCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776101 1182831912 /nfs/dbraw/zinc/83/19/12/1182831912.db2.gz XSJGEBAYZZHZQU-MPZWGZMNSA-N 1 1 359.382 0.669 20 5 FCBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025776101 1182831913 /nfs/dbraw/zinc/83/19/13/1182831913.db2.gz XSJGEBAYZZHZQU-MPZWGZMNSA-N 1 1 359.382 0.669 20 5 FCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025776101 1182831917 /nfs/dbraw/zinc/83/19/17/1182831917.db2.gz XSJGEBAYZZHZQU-MPZWGZMNSA-N 1 1 359.382 0.669 20 5 FCBDMO CCc1noc(CN2C[C@]3(C)CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@]3(C)C2)n1 ZINC000982278715 1186694923 /nfs/dbraw/zinc/69/49/23/1186694923.db2.gz PGIZYCCLMYEIIN-SKNMWMDOSA-N 1 1 363.418 0.968 20 5 FCBDMO Cn1nc(C(C)(C)C)cc1NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936460 1194606549 /nfs/dbraw/zinc/60/65/49/1194606549.db2.gz JHIZLTSMQVPXPJ-GHMZBOCLSA-N 1 1 366.422 0.027 20 5 FCBDMO CNC(=O)c1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001086363247 1198326079 /nfs/dbraw/zinc/32/60/79/1198326079.db2.gz JRRKYISLYIHQHL-DTZQCDIJSA-N 1 1 360.414 0.696 20 5 FCBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000786863962 1200855595 /nfs/dbraw/zinc/85/55/95/1200855595.db2.gz AFCGRUAVOJPQDD-OAHLLOKOSA-N 1 1 361.402 0.731 20 5 FCBDMO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000808161086 1202875139 /nfs/dbraw/zinc/87/51/39/1202875139.db2.gz QHNYQMZBTZXIPC-DCGLDWPTSA-N 1 1 374.397 0.755 20 5 FCBDMO COCCCCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001131353964 1202888858 /nfs/dbraw/zinc/88/88/58/1202888858.db2.gz KMWUEASJYBWFLW-HUUCEWRRSA-N 1 1 370.450 0.119 20 5 FCBDMO O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000810036897 1202939845 /nfs/dbraw/zinc/93/98/45/1202939845.db2.gz ATJQGAUMSIEIOT-UKRRQHHQSA-N 1 1 367.406 0.895 20 5 FCBDMO 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O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CC3(CN(Cc4ccccc4)C3)C2)c1 ZINC000871988253 1210171942 /nfs/dbraw/zinc/17/19/42/1210171942.db2.gz NEXYDLTXLDYCJA-QGZVFWFLSA-N 1 1 357.414 0.970 20 5 FCBDMO CC1=CC[N@@H+](CCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000545880239 1211425592 /nfs/dbraw/zinc/42/55/92/1211425592.db2.gz XWHPZCPQMONOMH-UHFFFAOYSA-N 1 1 372.381 0.959 20 5 FCBDMO C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000932697885 1211817156 /nfs/dbraw/zinc/81/71/56/1211817156.db2.gz XIMGEYLYTBTITL-JKSUJKDBSA-N 1 1 360.414 0.979 20 5 FCBDMO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000953928455 1213024594 /nfs/dbraw/zinc/02/45/94/1213024594.db2.gz DANXIRFWPQTXPC-HUUCEWRRSA-N 1 1 366.462 0.833 20 5 FCBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000953928455 1213024600 /nfs/dbraw/zinc/02/46/00/1213024600.db2.gz DANXIRFWPQTXPC-HUUCEWRRSA-N 1 1 366.462 0.833 20 5 FCBDMO 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O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001010745884 1213812859 /nfs/dbraw/zinc/81/28/59/1213812859.db2.gz UJAOZFWUDKLVNF-ZIAGYGMSSA-N 1 1 362.430 0.198 20 5 FCBDMO CC(C)(C(=O)N1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)[NH+]1CCCC1 ZINC001017443888 1214096393 /nfs/dbraw/zinc/09/63/93/1214096393.db2.gz PFSQKPZLZVKCSI-HUUCEWRRSA-N 1 1 364.446 0.801 20 5 FCBDMO CN(C)C(=O)c1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001020140441 1214314428 /nfs/dbraw/zinc/31/44/28/1214314428.db2.gz HRWNQMANSPWPNO-KLHDSHLOSA-N 1 1 360.414 0.790 20 5 FCBDMO Cn1ccc(C[NH2+]C2CC3(CC(NC(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)cc1=O ZINC000963786677 1214850743 /nfs/dbraw/zinc/85/07/43/1214850743.db2.gz FNLRBWJAPSAAAB-BSGOTLCWSA-N 1 1 360.414 0.568 20 5 FCBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000967951513 1215266425 /nfs/dbraw/zinc/26/64/25/1215266425.db2.gz ZQURRSIRZBSDHT-HZPDHXFCSA-N 1 1 366.462 0.831 20 5 FCBDMO CC(C)OCCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055526151 1219067788 /nfs/dbraw/zinc/06/77/88/1219067788.db2.gz NTOYHRMMSDQSMQ-HUUCEWRRSA-N 1 1 370.450 0.164 20 5 FCBDMO O=C(NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cc(F)c[nH]1 ZINC001055574909 1219083675 /nfs/dbraw/zinc/08/36/75/1219083675.db2.gz CTNRXFBUMUCENU-TZMCWYRMSA-N 1 1 367.381 0.129 20 5 FCBDMO O=C(CCC1CCC1)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575362 1219084639 /nfs/dbraw/zinc/08/46/39/1219084639.db2.gz UIDAUKRKLIFUKO-HZPDHXFCSA-N 1 1 366.462 0.929 20 5 FCBDMO CNC(=O)CCC[N@@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000753803836 1220096777 /nfs/dbraw/zinc/09/67/77/1220096777.db2.gz ASXLCYRBZWFTGK-UHFFFAOYSA-N 1 1 363.374 0.779 20 5 FCBDMO CC(C)(C[NH2+]CC(=O)N1CCC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001101540869 1220378268 /nfs/dbraw/zinc/37/82/68/1220378268.db2.gz YCGIMLPZJCDHHA-HUUCEWRRSA-N 1 1 366.462 0.738 20 5 FCBDMO 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CC(=O)N1CC(=O)NC[C@@]12CC[N@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254555929 1259890205 /nfs/dbraw/zinc/89/02/05/1259890205.db2.gz JQEFHAVBYSFXCK-FZKQIMNGSA-N 1 1 360.414 0.949 20 5 FCBDMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001257176885 1260000838 /nfs/dbraw/zinc/00/08/38/1260000838.db2.gz PHOFZQKUFHCGMF-UHFFFAOYSA-N 1 1 364.402 0.522 20 5 FCBDMO COc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC001321991761 1264124407 /nfs/dbraw/zinc/12/44/07/1264124407.db2.gz NMBGJQRREDLOSD-YPMHNXCESA-N 1 1 364.402 0.819 20 5 FCBDMO CN(C)c1[nH+]cc(CNC(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)n1C ZINC001322671707 1264240135 /nfs/dbraw/zinc/24/01/35/1264240135.db2.gz VDAIUMBLLQJLNI-UHFFFAOYSA-N 1 1 372.385 0.553 20 5 FCBDMO C[C@H](CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)[N@H+]1CCC[C@@H](C)C1 ZINC001323906170 1264537819 /nfs/dbraw/zinc/53/78/19/1264537819.db2.gz QQICXHDFGUPGPY-CHWSQXEVSA-N 1 1 366.422 0.144 20 5 FCBDMO C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001325030976 1264757851 /nfs/dbraw/zinc/75/78/51/1264757851.db2.gz PRNDFZWYMDMZFE-SFHVURJKSA-N 1 1 358.398 0.991 20 5 FCBDMO C[C@H]1C[C@@H](NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC001325490018 1264906960 /nfs/dbraw/zinc/90/69/60/1264906960.db2.gz UFNLIOTWDUVGHJ-GXTWGEPZSA-N 1 1 360.414 0.995 20 5 FCBDMO C[C@H]1C[C@H](NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC001325490021 1264907157 /nfs/dbraw/zinc/90/71/57/1264907157.db2.gz UFNLIOTWDUVGHJ-JSGCOSHPSA-N 1 1 360.414 0.995 20 5 FCBDMO C[C@H]1C[C@H](NC(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC001326571949 1265137303 /nfs/dbraw/zinc/13/73/03/1265137303.db2.gz LYKQPFGUKTXHTP-QWHCGFSZSA-N 1 1 364.402 0.689 20 5 FCBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001327324058 1265285121 /nfs/dbraw/zinc/28/51/21/1265285121.db2.gz URHUIVMZYJFKEM-CYBMUJFWSA-N 1 1 366.422 0.002 20 5 FCBDMO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[NH+](CCOCCOC)CC1 ZINC001339340158 1268216604 /nfs/dbraw/zinc/21/66/04/1268216604.db2.gz MUDDYTCRWRSRLR-CYBMUJFWSA-N 1 1 356.427 0.421 20 5 FCBDMO CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001342895416 1269667629 /nfs/dbraw/zinc/66/76/29/1269667629.db2.gz QAXUXBRNWQDGLR-UHFFFAOYSA-N 1 1 365.482 0.927 20 5 FCBDMO C[C@H](c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@H]1CCOC1)[N+](=O)[O-] ZINC001344206872 1270113137 /nfs/dbraw/zinc/11/31/37/1270113137.db2.gz XDGILWLTBSLJCA-MGPQQGTHSA-N 1 1 366.422 0.173 20 5 FCBDMO C[C@H](c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@H]1CCOC1)[N+](=O)[O-] ZINC001344206872 1270113144 /nfs/dbraw/zinc/11/31/44/1270113144.db2.gz XDGILWLTBSLJCA-MGPQQGTHSA-N 1 1 366.422 0.173 20 5 FCBDMO C[N@H+](CCc1c[nH]nn1)CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001576848861 1273799118 /nfs/dbraw/zinc/79/91/18/1273799118.db2.gz GPEXWTBCNMCHER-HUUCEWRRSA-N 1 1 350.423 0.573 20 5 FCBDMO C[N@@H+](CCc1cn[nH]n1)CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001576848861 1273799124 /nfs/dbraw/zinc/79/91/24/1273799124.db2.gz GPEXWTBCNMCHER-HUUCEWRRSA-N 1 1 350.423 0.573 20 5 FCBDMO C[N@H+](CCc1cn[nH]n1)CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001576848861 1273799128 /nfs/dbraw/zinc/79/91/28/1273799128.db2.gz GPEXWTBCNMCHER-HUUCEWRRSA-N 1 1 350.423 0.573 20 5 FCBDMO C[C@@H]1CS(=O)(=O)CCCN1C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001576862336 1273825387 /nfs/dbraw/zinc/82/53/87/1273825387.db2.gz ULNHBXMRUNIXJS-IAQYHMDHSA-N 1 1 355.416 0.804 20 5 FCBDMO C[C@H]1CS(=O)(=O)CCCN1C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001576862339 1273826641 /nfs/dbraw/zinc/82/66/41/1273826641.db2.gz ULNHBXMRUNIXJS-NHYWBVRUSA-N 1 1 355.416 0.804 20 5 FCBDMO C[C@H](O)C[N@H+]1CCN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC001590002110 1283172379 /nfs/dbraw/zinc/17/23/79/1283172379.db2.gz QHRYZOWZPSNHSE-RYUDHWBXSA-N 1 1 361.406 0.662 20 5 FCBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC[NH2+]1 ZINC001590207113 1283330514 /nfs/dbraw/zinc/33/05/14/1283330514.db2.gz OOTZVTCZWPWTDX-RKDXNWHRSA-N 1 1 367.391 0.194 20 5 FCBDMO C[N@@H+]1CCO[C@H](CSc2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)C1 ZINC001591195199 1284316110 /nfs/dbraw/zinc/31/61/10/1284316110.db2.gz WIVOLKDRIZBEEM-QMMMGPOBSA-N 1 1 351.392 0.780 20 5 FCBDMO C[N@H+]1CCO[C@H](CSc2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)C1 ZINC001591195199 1284316117 /nfs/dbraw/zinc/31/61/17/1284316117.db2.gz WIVOLKDRIZBEEM-QMMMGPOBSA-N 1 1 351.392 0.780 20 5 FCBDMO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+](C)C1 ZINC001591253851 1284411302 /nfs/dbraw/zinc/41/13/02/1284411302.db2.gz FSHMEHVDBQTGGK-SNVBAGLBSA-N 1 1 361.362 0.316 20 5 FCBDMO O=C(NC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001592988582 1285873546 /nfs/dbraw/zinc/87/35/46/1285873546.db2.gz MLAKFDZHXKZSQR-HUUCEWRRSA-N 1 1 371.401 0.613 20 5 FCBDMO O=C(NCC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001593080602 1285978889 /nfs/dbraw/zinc/97/88/89/1285978889.db2.gz PTZYQYKPZREPSI-HUUCEWRRSA-N 1 1 371.401 0.613 20 5 FCBDMO O=C(NCC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001593080602 1285978893 /nfs/dbraw/zinc/97/88/93/1285978893.db2.gz PTZYQYKPZREPSI-HUUCEWRRSA-N 1 1 371.401 0.613 20 5 FCBDMO O=C(NCC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001593080602 1285978898 /nfs/dbraw/zinc/97/88/98/1285978898.db2.gz PTZYQYKPZREPSI-HUUCEWRRSA-N 1 1 371.401 0.613 20 5 FCBDMO C[N@H+]1CCC[C@H](N2CCN(c3ncc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC2)C1 ZINC001609284366 1289046620 /nfs/dbraw/zinc/04/66/20/1289046620.db2.gz MJOASXITRYNYTH-ZDUSSCGKSA-N 1 1 373.421 0.386 20 5 FCBDMO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(-c2nn[nH]n2)c1 ZINC001607086013 1288653192 /nfs/dbraw/zinc/65/31/92/1288653192.db2.gz HCTCBCNFWDAVCT-STQMWFEESA-N 1 1 360.378 0.205 20 5 FCBDMO CC1(C)CN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC001609146503 1288948192 /nfs/dbraw/zinc/94/81/92/1288948192.db2.gz KOJSKNYRKBFFEE-UHFFFAOYSA-N 1 1 361.406 0.663 20 5 FCBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1CC(C)(C)O ZINC001609175892 1288969213 /nfs/dbraw/zinc/96/92/13/1288969213.db2.gz AWPREBXWTCEAQO-SNVBAGLBSA-N 1 1 362.394 0.451 20 5 FCBDMO O=[N+]([O-])c1cnc(N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)nc1C1C[NH2+]C1 ZINC001164968175 722078132 /nfs/dbraw/zinc/07/81/32/722078132.db2.gz UWARQUYTELSINP-OKILXGFUSA-N 1 1 360.418 0.371 20 5 FCBDMO