smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C)nc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164741989 720684077 /nfs/dbraw/zinc/68/40/77/720684077.db2.gz VCIZTXQREQZPCD-ZIAGYGMSSA-N 0 1 386.412 1.439 20 5 GDBDMN COc1cc(C)nc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164741988 720685643 /nfs/dbraw/zinc/68/56/43/720685643.db2.gz VCIZTXQREQZPCD-UONOGXRCSA-N 0 1 386.412 1.439 20 5 GDBDMN COc1nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164871377 721041835 /nfs/dbraw/zinc/04/18/35/721041835.db2.gz YKBWYFVVDNUDDA-HUUCEWRRSA-N 0 1 386.412 1.268 20 5 GDBDMN Cc1ncc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1 ZINC001164884483 721405851 /nfs/dbraw/zinc/40/58/51/721405851.db2.gz DIUGVAAKFXWIJC-QFBILLFUSA-N 0 1 390.488 1.459 20 5 GDBDMN O=C([O-])CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001349314154 962463764 /nfs/dbraw/zinc/46/37/64/962463764.db2.gz PCHXVWUZULCBSW-UHFFFAOYSA-N 0 1 386.426 1.324 20 5 GDBDMN CC(C)[N@H+]1CCO[C@H](CN2CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)C1 ZINC000565604792 974584811 /nfs/dbraw/zinc/58/48/11/974584811.db2.gz YCTPBUMQSCNORG-MRXNPFEDSA-N 0 1 392.456 1.524 20 5 GDBDMN CCCS(=O)(=O)NC1CC[NH+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000593735353 974983996 /nfs/dbraw/zinc/98/39/96/974983996.db2.gz WADRLZFCUQSVPC-UHFFFAOYSA-N 0 1 385.442 1.587 20 5 GDBDMN CCC[N@H+]1CC[C@H](CNc2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001595902303 982961794 /nfs/dbraw/zinc/96/17/94/982961794.db2.gz CVVCWKINMFIALH-CHWSQXEVSA-N 0 1 378.429 1.942 20 5 GDBDMN CCN1CC[NH+](CCC(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)CC1 ZINC001596436715 984123917 /nfs/dbraw/zinc/12/39/17/984123917.db2.gz OJTWHFIZVNVMBH-GOSISDBHSA-N 0 1 378.429 1.038 20 5 GDBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC[N@@H+]1CCC(=O)[O-] ZINC001594488940 985588475 /nfs/dbraw/zinc/58/84/75/985588475.db2.gz MJYQMOUDFOFLDW-GFCCVEGCSA-N 0 1 397.453 1.300 20 5 GDBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC[N@H+]1CCC(=O)[O-] ZINC001594488940 985588482 /nfs/dbraw/zinc/58/84/82/985588482.db2.gz MJYQMOUDFOFLDW-GFCCVEGCSA-N 0 1 397.453 1.300 20 5 GDBDMN Cc1c(C(=O)N2CC[N@H+](CCC(=O)[O-])[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001599976496 986100244 /nfs/dbraw/zinc/10/02/44/986100244.db2.gz FNVIFHKZZSGJKC-JTQLQIEISA-N 0 1 380.357 1.432 20 5 GDBDMN Cc1c(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001599976496 986100248 /nfs/dbraw/zinc/10/02/48/986100248.db2.gz FNVIFHKZZSGJKC-JTQLQIEISA-N 0 1 380.357 1.432 20 5 GDBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001589437637 986757729 /nfs/dbraw/zinc/75/77/29/986757729.db2.gz FYVITIOMNSYWDG-NSHDSACASA-N 0 1 388.384 1.549 20 5 GDBDMN C[N@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C(=O)[O-])C2)C1 ZINC001598598563 993541494 /nfs/dbraw/zinc/54/14/94/993541494.db2.gz PODCMAWFOUARTM-MRXNPFEDSA-N 0 1 383.426 1.399 20 5 GDBDMN C[N@@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@@H](C(=O)[O-])C1 ZINC001598621376 994011891 /nfs/dbraw/zinc/01/18/91/994011891.db2.gz PBTMQQBFJMDFHS-QMMMGPOBSA-N 0 1 395.796 1.024 20 5 GDBDMN C[N@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@@H](C(=O)[O-])C1 ZINC001598621376 994011900 /nfs/dbraw/zinc/01/19/00/994011900.db2.gz PBTMQQBFJMDFHS-QMMMGPOBSA-N 0 1 395.796 1.024 20 5 GDBDMN COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001599241659 998054865 /nfs/dbraw/zinc/05/48/65/998054865.db2.gz DATVVARMQOUDDB-JSGCOSHPSA-N 0 1 379.413 1.656 20 5 GDBDMN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCCC[N@H+]1CCC[C@@H]1CO ZINC000161715905 530562669 /nfs/dbraw/zinc/56/26/69/530562669.db2.gz DALKTWYCLRUFPB-CYBMUJFWSA-N 0 1 391.877 1.763 20 5 GDBDMN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000161715905 530562672 /nfs/dbraw/zinc/56/26/72/530562672.db2.gz DALKTWYCLRUFPB-CYBMUJFWSA-N 0 1 391.877 1.763 20 5 GDBDMN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1nnc[nH]1 ZINC000176738715 530690321 /nfs/dbraw/zinc/69/03/21/530690321.db2.gz QDVWNYNSRBLBCP-ZCFIWIBFSA-N 0 1 387.137 1.809 20 5 GDBDMN Cc1sc(S(=O)(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000124647892 530997986 /nfs/dbraw/zinc/99/79/86/530997986.db2.gz OUOBKYWZJCXVDK-LLVKDONJSA-N 0 1 376.504 1.127 20 5 GDBDMN CCOC(=O)CSc1nnc(NC(=O)c2n[nH]c(CC)c2[N+](=O)[O-])s1 ZINC000263678180 531148945 /nfs/dbraw/zinc/14/89/45/531148945.db2.gz OASRMRIVQZXJEI-UHFFFAOYSA-N 0 1 386.415 1.639 20 5 GDBDMN C[C@](O)(CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(F)(F)F ZINC000290847563 531260761 /nfs/dbraw/zinc/26/07/61/531260761.db2.gz WHIVWWJHLPDDAP-VIFPVBQESA-N 0 1 380.703 1.979 20 5 GDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCCOCC1CCOCC1 ZINC000525386951 531291866 /nfs/dbraw/zinc/29/18/66/531291866.db2.gz RDKRDMJDAFLROX-UHFFFAOYSA-N 0 1 376.406 1.846 20 5 GDBDMN CCN1C[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)CC1=O ZINC000449523054 531471837 /nfs/dbraw/zinc/47/18/37/531471837.db2.gz XOAPCWAWZNZJLI-LLVKDONJSA-N 0 1 389.193 1.910 20 5 GDBDMN CN(CC1CN(C)C1)C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000598163350 531969094 /nfs/dbraw/zinc/96/90/94/531969094.db2.gz NQHGKJNJOHVHHJ-UHFFFAOYSA-N 0 1 389.193 1.833 20 5 GDBDMN CC(C)[C@H]1CNCCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000599105987 532006649 /nfs/dbraw/zinc/00/66/49/532006649.db2.gz SCSXMMRTNOUYMP-CYBMUJFWSA-N 0 1 392.275 1.976 20 5 GDBDMN C[C@H](Cc1nc2ccccc2s1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599261727 532020584 /nfs/dbraw/zinc/02/05/84/532020584.db2.gz UYKWRAAHFZGARM-SECBINFHSA-N 0 1 381.439 1.848 20 5 GDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)n1 ZINC000599272910 532023053 /nfs/dbraw/zinc/02/30/53/532023053.db2.gz SZEJCIUXIBSUPE-LLVKDONJSA-N 0 1 385.833 1.539 20 5 GDBDMN NC(=O)[C@@H]1CCCN1CCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000600234922 532045285 /nfs/dbraw/zinc/04/52/85/532045285.db2.gz YHERFGAPIJLQAH-LBPRGKRZSA-N 0 1 399.245 1.427 20 5 GDBDMN Cc1cc(N2CCN(C(=O)CN(C)C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302688747 532048073 /nfs/dbraw/zinc/04/80/73/532048073.db2.gz RDSXDJAKSNLESW-UHFFFAOYSA-N 0 1 385.262 1.876 20 5 GDBDMN C[S@](=O)C1(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCC1 ZINC000285530849 532091395 /nfs/dbraw/zinc/09/13/95/532091395.db2.gz GZBFJGLAEFTECO-QFIPXVFZSA-N 0 1 384.838 1.967 20 5 GDBDMN C[C@@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000285823965 532115288 /nfs/dbraw/zinc/11/52/88/532115288.db2.gz BKIIYGBZOOTURE-WCBMZHEXSA-N 0 1 382.797 1.860 20 5 GDBDMN COC(=O)[C@H](CC(F)(F)F)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000274150370 532188753 /nfs/dbraw/zinc/18/87/53/532188753.db2.gz DPHBYNUHVRYHIX-NSHDSACASA-N 0 1 384.332 1.551 20 5 GDBDMN CS[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000274796444 532233235 /nfs/dbraw/zinc/23/32/35/532233235.db2.gz MKKGAOYAFRRELM-UONOGXRCSA-N 0 1 389.474 1.934 20 5 GDBDMN COC[C@H](CCO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289455974 532325141 /nfs/dbraw/zinc/32/51/41/532325141.db2.gz HKUOTGVPLNYVHD-NSHDSACASA-N 0 1 380.182 1.686 20 5 GDBDMN NC(=O)[C@H]1CCC[N@@H+](CCCNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000739151995 599954792 /nfs/dbraw/zinc/95/47/92/599954792.db2.gz FRJNKPCHJHRTIQ-DYLGSBMWSA-N 0 1 376.413 1.692 20 5 GDBDMN O=C([O-])CNC(=O)c1ccc(N2CCC[N@H+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000739811977 600365675 /nfs/dbraw/zinc/36/56/75/600365675.db2.gz DOLRRUZNKUQJAF-UHFFFAOYSA-N 0 1 390.440 1.864 20 5 GDBDMN O=[N+]([O-])c1ccc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1-c1nn[n-]n1 ZINC000826498805 607450900 /nfs/dbraw/zinc/45/09/00/607450900.db2.gz KICFNUFLUSPGGP-MRXNPFEDSA-N 0 1 395.423 1.606 20 5 GDBDMN O=[N+]([O-])c1ccc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1-c1nn[n-]n1 ZINC000826498805 607450901 /nfs/dbraw/zinc/45/09/01/607450901.db2.gz KICFNUFLUSPGGP-MRXNPFEDSA-N 0 1 395.423 1.606 20 5 GDBDMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000825978049 601013481 /nfs/dbraw/zinc/01/34/81/601013481.db2.gz WIBPCHPPFSJZRY-TZMCWYRMSA-N 0 1 391.428 1.188 20 5 GDBDMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000825978049 601013485 /nfs/dbraw/zinc/01/34/85/601013485.db2.gz WIBPCHPPFSJZRY-TZMCWYRMSA-N 0 1 391.428 1.188 20 5 GDBDMN CC[N@@H+](C)C[C@H]1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829613081 601225294 /nfs/dbraw/zinc/22/52/94/601225294.db2.gz GXJKAYYUHIQVSQ-QWHCGFSZSA-N 0 1 378.429 1.576 20 5 GDBDMN O=C([O-])CCC1CC[NH+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000833225223 601798406 /nfs/dbraw/zinc/79/84/06/601798406.db2.gz DEXZOAYMHGIIBE-UHFFFAOYSA-N 0 1 390.396 1.898 20 5 GDBDMN Cc1cc(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832889259 602313789 /nfs/dbraw/zinc/31/37/89/602313789.db2.gz PJVDXAHZZGOVRQ-UHFFFAOYSA-N 0 1 390.440 1.592 20 5 GDBDMN CCN1CCO[C@H](C[NH+]2CCN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)CC2)C1 ZINC000829785427 602317195 /nfs/dbraw/zinc/31/71/95/602317195.db2.gz AFIXUOHGGLZXEK-INIZCTEOSA-N 0 1 392.456 1.444 20 5 GDBDMN CC[N@@H+]1CCO[C@H](CN2CCN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)CC2)C1 ZINC000829785427 602317198 /nfs/dbraw/zinc/31/71/98/602317198.db2.gz AFIXUOHGGLZXEK-INIZCTEOSA-N 0 1 392.456 1.444 20 5 GDBDMN CC[N@H+]1CCO[C@H](CN2CCN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)CC2)C1 ZINC000829785427 602317201 /nfs/dbraw/zinc/31/72/01/602317201.db2.gz AFIXUOHGGLZXEK-INIZCTEOSA-N 0 1 392.456 1.444 20 5 GDBDMN O=C([O-])N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000740526300 602380517 /nfs/dbraw/zinc/38/05/17/602380517.db2.gz ZPLHEVSBRKZKSM-CYBMUJFWSA-N 0 1 394.403 1.768 20 5 GDBDMN O=C([O-])N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000740526300 602380518 /nfs/dbraw/zinc/38/05/18/602380518.db2.gz ZPLHEVSBRKZKSM-CYBMUJFWSA-N 0 1 394.403 1.768 20 5 GDBDMN C[C@H](NC(=O)[O-])C1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000739028909 602446455 /nfs/dbraw/zinc/44/64/55/602446455.db2.gz SEJQUFMGWRMSNK-LBPRGKRZSA-N 0 1 376.413 1.852 20 5 GDBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCSC(F)(F)F)c1-c1nn[nH]n1 ZINC000826500341 607591482 /nfs/dbraw/zinc/59/14/82/607591482.db2.gz USHDJNVEFPWFJI-UHFFFAOYSA-N 0 1 398.348 1.306 20 5 GDBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Oc2cccc(F)c2F)c1-c1nn[nH]n1 ZINC000826500359 607608070 /nfs/dbraw/zinc/60/80/70/607608070.db2.gz VQPBJPWPMKAYES-UHFFFAOYSA-N 0 1 383.292 1.821 20 5 GDBDMN C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCN(C(=O)[O-])CC1 ZINC000828115002 603981531 /nfs/dbraw/zinc/98/15/31/603981531.db2.gz ODVPKYVTEWWDBP-UHFFFAOYSA-N 0 1 380.357 1.336 20 5 GDBDMN CC(C)CC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000824235791 607668641 /nfs/dbraw/zinc/66/86/41/607668641.db2.gz JTNOSAHUHVYJFR-UHFFFAOYSA-N 0 1 380.430 1.880 20 5 GDBDMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000833624932 605052074 /nfs/dbraw/zinc/05/20/74/605052074.db2.gz MBOAKPRKCMCZNK-ZDUSSCGKSA-N 0 1 380.401 1.164 20 5 GDBDMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000834162268 605359294 /nfs/dbraw/zinc/35/92/94/605359294.db2.gz SOURTKQLGKGEAE-JALIKCBVSA-N 0 1 379.413 1.988 20 5 GDBDMN CCC1(C)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000820949583 606732406 /nfs/dbraw/zinc/73/24/06/606732406.db2.gz CSHMEZCXXBVCAF-UHFFFAOYSA-N 0 1 380.430 1.976 20 5 GDBDMN CCOC[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000821367269 606734618 /nfs/dbraw/zinc/73/46/18/606734618.db2.gz FEKTVUSQNBDZPV-LLVKDONJSA-N 0 1 396.429 1.212 20 5 GDBDMN CC(C)CO[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000820096967 606735344 /nfs/dbraw/zinc/73/53/44/606735344.db2.gz JCCUQKKYSGNWEH-NSHDSACASA-N 0 1 396.429 1.211 20 5 GDBDMN Cc1c(Br)c(NCCCN2CCC[C@@H]2C(N)=O)ncc1[N+](=O)[O-] ZINC000542505645 650406705 /nfs/dbraw/zinc/40/67/05/650406705.db2.gz KJYOUBSRYUZCSM-SNVBAGLBSA-N 0 1 386.250 1.812 20 5 GDBDMN C[N@@H+]1CC[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000038039775 644321292 /nfs/dbraw/zinc/32/12/92/644321292.db2.gz DJJBTMFUZSAMIR-VIFPVBQESA-N 0 1 378.248 1.587 20 5 GDBDMN C[N@H+]1CC[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000038039775 644321297 /nfs/dbraw/zinc/32/12/97/644321297.db2.gz DJJBTMFUZSAMIR-VIFPVBQESA-N 0 1 378.248 1.587 20 5 GDBDMN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC[C@@H]1CC[NH2+]C1 ZINC000262735193 645136457 /nfs/dbraw/zinc/13/64/57/645136457.db2.gz GISYLDUGWSCPPJ-VIFPVBQESA-N 0 1 378.248 1.635 20 5 GDBDMN C[NH+](C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000467434127 647643797 /nfs/dbraw/zinc/64/37/97/647643797.db2.gz BQDOWMGAPCLMTQ-UHFFFAOYSA-N 0 1 384.439 1.957 20 5 GDBDMN COC(=O)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccsc1 ZINC000468852118 647680052 /nfs/dbraw/zinc/68/00/52/647680052.db2.gz GHQCVAWFFQHJBK-ZDUSSCGKSA-N 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GDBDMN CN1CCN(CCCS(=O)(=O)Oc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000866618790 655951811 /nfs/dbraw/zinc/95/18/11/655951811.db2.gz KYXMBEVAXFTZQB-UHFFFAOYSA-N 0 1 377.850 1.594 20 5 GDBDMN O=C(NC[C@H]1CCN1C1CCOCC1)c1cc([N+](=O)[O-])ncc1Br ZINC000885882879 657582919 /nfs/dbraw/zinc/58/29/19/657582919.db2.gz LTGPGBLHQASZDR-LLVKDONJSA-N 0 1 399.245 1.735 20 5 GDBDMN Cn1cc(CN2CC[C@@H]3CN(c4c(Cl)[n+]([O-])ccc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164773915 721141319 /nfs/dbraw/zinc/14/13/19/721141319.db2.gz ZDJYCHXWELOBDM-KGLIPLIRSA-N 0 1 392.847 1.573 20 5 GDBDMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc([N+](=O)[O-])cc4N)C3)O2)CC1 ZINC001164892306 721431607 /nfs/dbraw/zinc/43/16/07/721431607.db2.gz IBYWMZBFZGUIRE-QFBILLFUSA-N 0 1 390.488 1.337 20 5 GDBDMN COc1ccc(S(=O)(=O)Nc2cccc(C)c2-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000826211490 947618315 /nfs/dbraw/zinc/61/83/15/947618315.db2.gz HCYYJADVFTUZDB-UHFFFAOYSA-N 0 1 390.381 1.893 20 5 GDBDMN COC[C@@]1(C(=O)[O-])CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 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C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1CCC(=O)[O-] ZINC000833620278 605472889 /nfs/dbraw/zinc/47/28/89/605472889.db2.gz GFSCGWRTAWSXFD-SNVBAGLBSA-N 0 1 387.339 1.817 20 5 GDBDMN O=C([O-])N1CC[NH+](CCCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000834037744 605764475 /nfs/dbraw/zinc/76/44/75/605764475.db2.gz CLKBOKATBBXFJL-UHFFFAOYSA-N 0 1 375.385 1.492 20 5 GDBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@@H]3CCCC[C@H]3C2)c1-c1nn[nH]n1 ZINC000823648436 606737431 /nfs/dbraw/zinc/73/74/31/606737431.db2.gz WYHINXBALMEDDW-QWRGUYRKSA-N 0 1 378.414 1.586 20 5 GDBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC3(CCCC3)C2)c1-c1nn[nH]n1 ZINC000823647458 606737534 /nfs/dbraw/zinc/73/75/34/606737534.db2.gz KBRWGGROIHWPKC-UHFFFAOYSA-N 0 1 378.414 1.730 20 5 GDBDMN CCc1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825704065 608020287 /nfs/dbraw/zinc/02/02/87/608020287.db2.gz BXIOIHLXLJASDD-UHFFFAOYSA-N 0 1 399.415 1.465 20 5 GDBDMN CCc1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825704065 608020288 /nfs/dbraw/zinc/02/02/88/608020288.db2.gz BXIOIHLXLJASDD-UHFFFAOYSA-N 0 1 399.415 1.465 20 5 GDBDMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1-c1nnn[n-]1 ZINC000826082773 608021440 /nfs/dbraw/zinc/02/14/40/608021440.db2.gz ANPGXPUUBFVQSH-UHFFFAOYSA-N 0 1 389.351 1.041 20 5 GDBDMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1-c1nn[n-]n1 ZINC000826082773 608021441 /nfs/dbraw/zinc/02/14/41/608021441.db2.gz ANPGXPUUBFVQSH-UHFFFAOYSA-N 0 1 389.351 1.041 20 5 GDBDMN [NH3+]CC1([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCCC1 ZINC000238021841 645089514 /nfs/dbraw/zinc/08/95/14/645089514.db2.gz XFULSZVIMOPMJV-UHFFFAOYSA-N 0 1 378.248 1.907 20 5 GDBDMN Cc1c(NC(=O)C(=O)N2CCN[C@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000415421871 645894052 /nfs/dbraw/zinc/89/40/52/645894052.db2.gz YPZMYLDPOORQJZ-MRVPVSSYSA-N 0 1 385.218 1.425 20 5 GDBDMN O=C1NCCCC[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000503808623 648197083 /nfs/dbraw/zinc/19/70/83/648197083.db2.gz DIOUSUPLUDKYCL-SECBINFHSA-N 0 1 382.225 1.849 20 5 GDBDMN CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000507599618 648251166 /nfs/dbraw/zinc/25/11/66/648251166.db2.gz KSKUVSNJFGDOKG-UHFFFAOYSA-N 0 1 389.386 1.443 20 5 GDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000594757993 652356726 /nfs/dbraw/zinc/35/67/26/652356726.db2.gz GTUHAVPGNMYFSA-JTQLQIEISA-N 0 1 383.817 1.595 20 5 GDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000594769902 652359447 /nfs/dbraw/zinc/35/94/47/652359447.db2.gz BPIQDFOJEQUXMH-CABZTGNLSA-N 0 1 383.348 1.752 20 5 GDBDMN Cn1cc(CNS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])cn1 ZINC000757744035 655043155 /nfs/dbraw/zinc/04/31/55/655043155.db2.gz DJOCTQQMDDECRB-UHFFFAOYSA-N 0 1 393.194 1.708 20 5 GDBDMN CN(Cc1nnc[nH]1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000791410798 655071122 /nfs/dbraw/zinc/07/11/22/655071122.db2.gz CIEKNUATTGXNIR-UHFFFAOYSA-N 0 1 376.192 1.296 20 5 GDBDMN CCCc1cc(=O)n2[nH]c(NS(=O)(=O)c3csc([N+](=O)[O-])c3)nc2n1 ZINC000808582493 655112561 /nfs/dbraw/zinc/11/25/61/655112561.db2.gz DMDWHWMBHIUKTJ-UHFFFAOYSA-N 0 1 384.399 1.141 20 5 GDBDMN C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000815019425 655278862 /nfs/dbraw/zinc/27/88/62/655278862.db2.gz HKVTVELMSIOGJB-SNVBAGLBSA-N 0 1 394.856 1.302 20 5 GDBDMN Cc1cc(Br)c(NC(=O)C(=O)N2C[C@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000841207184 655314020 /nfs/dbraw/zinc/31/40/20/655314020.db2.gz HXMWVTNLJSPJAN-UWVGGRQHSA-N 0 1 399.245 1.813 20 5 GDBDMN O=C1[C@@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@@H]2CCCCN12 ZINC000841532289 655339521 /nfs/dbraw/zinc/33/95/21/655339521.db2.gz SCNGLDAQYKDHDU-KWQFWETISA-N 0 1 391.808 1.819 20 5 GDBDMN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000819911789 655399238 /nfs/dbraw/zinc/39/92/38/655399238.db2.gz MYDSNTNCLQHCLV-ZETCQYMHSA-N 0 1 375.769 1.684 20 5 GDBDMN CO[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)[C@@H]1CCOC1 ZINC000849414151 655529698 /nfs/dbraw/zinc/52/96/98/655529698.db2.gz BCKCPGRFKJUPDI-KCJUWKMLSA-N 0 1 382.797 1.717 20 5 GDBDMN C[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1Cl ZINC000859044835 655760097 /nfs/dbraw/zinc/76/00/97/655760097.db2.gz CJHUUDUZIHPEOK-JMCQJSRRSA-N 0 1 392.796 1.521 20 5 GDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCSCc2ccnc(Cl)c2)n1 ZINC000859091497 655762905 /nfs/dbraw/zinc/76/29/05/655762905.db2.gz OZOUQOFETQKXAV-UHFFFAOYSA-N 0 1 391.862 1.588 20 5 GDBDMN C[C@]12CN(Cc3c(Br)cccc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000877668195 656686992 /nfs/dbraw/zinc/68/69/92/656686992.db2.gz GDTVGTVDYRJFMC-GASCZTMLSA-N 0 1 382.214 1.842 20 5 GDBDMN CCN1CCN(CC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000881863881 656975171 /nfs/dbraw/zinc/97/51/71/656975171.db2.gz HRSDFMBXYMUFQZ-UHFFFAOYSA-N 0 1 385.262 1.611 20 5 GDBDMN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NC[C@@H](C)N1CCN(C)CC1 ZINC000881927470 656994793 /nfs/dbraw/zinc/99/47/93/656994793.db2.gz CRFPZZQSHVIVID-GFCCVEGCSA-N 0 1 390.893 1.471 20 5 GDBDMN O=[N+]([O-])c1cnn(CCN2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000823652003 946461810 /nfs/dbraw/zinc/46/18/10/946461810.db2.gz VQHVHHLOTJSNLJ-UHFFFAOYSA-N 0 1 384.400 1.515 20 5 GDBDMN O=C([O-])CN1CCCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1=O ZINC001595096823 951823112 /nfs/dbraw/zinc/82/31/12/951823112.db2.gz SOFPVKPIXQQXEN-LBPRGKRZSA-N 0 1 387.339 1.752 20 5 GDBDMN CCO[C@@H]1C[C@@]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)(C(=O)[O-])C1(C)C ZINC001596833800 985471932 /nfs/dbraw/zinc/47/19/32/985471932.db2.gz QWSUIXQXCSWPAD-DNVCBOLYSA-N 0 1 391.424 1.732 20 5 GDBDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001594516486 985906372 /nfs/dbraw/zinc/90/63/72/985906372.db2.gz OUZSMUQYLGAIHH-SNVBAGLBSA-N 0 1 387.795 1.937 20 5 GDBDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001594522755 986014232 /nfs/dbraw/zinc/01/42/32/986014232.db2.gz WIFCMFOFTQOTNP-GFCCVEGCSA-N 0 1 382.392 1.543 20 5 GDBDMN C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001598450147 991907233 /nfs/dbraw/zinc/90/72/33/991907233.db2.gz PISYJIVYHAWUIC-ZDUSSCGKSA-N 0 1 397.453 1.645 20 5 GDBDMN C[N@H+](Cc1ccccc1)C[C@H](O)CN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001598528958 992754358 /nfs/dbraw/zinc/75/43/58/992754358.db2.gz QVRMRJNRVKALQU-UYAOXDASSA-N 0 1 387.436 1.977 20 5 GDBDMN CN(Cc1ccccc1)C[C@H](O)C[NH2+][C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001598528958 992754367 /nfs/dbraw/zinc/75/43/67/992754367.db2.gz QVRMRJNRVKALQU-UYAOXDASSA-N 0 1 387.436 1.977 20 5 GDBDMN C[N@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1 ZINC001598595710 993502933 /nfs/dbraw/zinc/50/29/33/993502933.db2.gz OUUWGNUWGPMPBY-RISCZKNCSA-N 0 1 383.426 1.398 20 5 GDBDMN COc1c(O)ccc(C[N@H+]2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)c1[N+](=O)[O-] ZINC001599345109 997989522 /nfs/dbraw/zinc/98/95/22/997989522.db2.gz QNVMFNFJYHGPLI-GOSISDBHSA-N 0 1 380.397 1.891 20 5 GDBDMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001594162919 998610557 /nfs/dbraw/zinc/61/05/57/998610557.db2.gz VASRFPBJNBAFJK-CZUORRHYSA-N 0 1 376.413 1.038 20 5 GDBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(NS(N)(=O)=O)c1 ZINC000055595748 530709774 /nfs/dbraw/zinc/70/97/74/530709774.db2.gz INCYCBVDLLLWCU-UHFFFAOYSA-N 0 1 386.411 1.319 20 5 GDBDMN CN(CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000066576444 530764065 /nfs/dbraw/zinc/76/40/65/530764065.db2.gz UHQZOSWXOZTCGD-UHFFFAOYSA-N 0 1 378.248 1.730 20 5 GDBDMN CC(C)[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])N1CCOCC1 ZINC000128573270 531042239 /nfs/dbraw/zinc/04/22/39/531042239.db2.gz FPPDCTNFHIWBAY-AWEZNQCLSA-N 0 1 375.422 1.369 20 5 GDBDMN NC(=O)[C@H]1CCCN1CCCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000277341917 531274218 /nfs/dbraw/zinc/27/42/18/531274218.db2.gz SQUHMPVFLRFYJK-GFCCVEGCSA-N 0 1 399.245 1.427 20 5 GDBDMN NC(=O)[C@@H]1CCCN1CCCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000277341922 531274298 /nfs/dbraw/zinc/27/42/98/531274298.db2.gz SQUHMPVFLRFYJK-LBPRGKRZSA-N 0 1 399.245 1.427 20 5 GDBDMN CCn1cc(S(=O)(=O)Nc2[nH]nc(C)c2Br)c([N+](=O)[O-])n1 ZINC000414469912 531456385 /nfs/dbraw/zinc/45/63/85/531456385.db2.gz KIXICIUMZUXOIO-UHFFFAOYSA-N 0 1 379.196 1.406 20 5 GDBDMN CN1CC[C@@H]2CN(S(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000590762542 531697352 /nfs/dbraw/zinc/69/73/52/531697352.db2.gz FNKDVXHXZOSKFR-SKDRFNHKSA-N 0 1 390.259 1.682 20 5 GDBDMN CN1CC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1=O ZINC000619714296 531716408 /nfs/dbraw/zinc/71/64/08/531716408.db2.gz PWHXYHBNUVNEGV-MRVPVSSYSA-N 0 1 382.225 1.801 20 5 GDBDMN C[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000562398775 531752657 /nfs/dbraw/zinc/75/26/57/531752657.db2.gz JOJCTWALXJEWHE-SSDOTTSWSA-N 0 1 388.203 1.582 20 5 GDBDMN Cc1c(Br)cc(C(=O)NC[C@@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000269934611 531808777 /nfs/dbraw/zinc/80/87/77/531808777.db2.gz JIMBAWLTECXFCQ-GFCCVEGCSA-N 0 1 385.262 1.641 20 5 GDBDMN CC(C)[C@@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN1 ZINC000595412553 531880984 /nfs/dbraw/zinc/88/09/84/531880984.db2.gz NBBGWPBRRJLUDE-ZDUSSCGKSA-N 0 1 392.275 1.976 20 5 GDBDMN Cn1cc([C@H](CO)NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cn1 ZINC000286308708 532141769 /nfs/dbraw/zinc/14/17/69/532141769.db2.gz GXUUPPDHQRSTRB-JTQLQIEISA-N 0 1 378.769 1.133 20 5 GDBDMN C[C@@H](CN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1nn[nH]n1 ZINC000274773936 532232819 /nfs/dbraw/zinc/23/28/19/532232819.db2.gz MRWHLSGFDUJDFR-LURJTMIESA-N 0 1 387.169 1.885 20 5 GDBDMN CS[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000274865965 532238904 /nfs/dbraw/zinc/23/89/04/532238904.db2.gz WPGMRINLUHMWOB-QWHCGFSZSA-N 0 1 389.474 1.934 20 5 GDBDMN C[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)C(=O)NCCF ZINC000289738871 532331434 /nfs/dbraw/zinc/33/14/34/532331434.db2.gz GSESHUZXCNPUFO-QMMMGPOBSA-N 0 1 395.172 1.763 20 5 GDBDMN CC[C@H]1CN(C)CCCN1S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000289989480 532335033 /nfs/dbraw/zinc/33/50/33/532335033.db2.gz VQOFSFBVNTYWTF-NSHDSACASA-N 0 1 375.422 1.847 20 5 GDBDMN O=[N+]([O-])c1cnc(NCc2nc(-c3ccc(F)cc3)n[nH]2)c(-c2nn[nH]n2)c1 ZINC000738374475 598503283 /nfs/dbraw/zinc/50/32/83/598503283.db2.gz OYZQLDUROYISAB-UHFFFAOYSA-N 0 1 382.319 1.706 20 5 GDBDMN O=[N+]([O-])c1ccc(N2CCN(C[C@@H](O)c3ccccc3)CC2)c(-c2nn[nH]n2)c1 ZINC000738370786 598628837 /nfs/dbraw/zinc/62/88/37/598628837.db2.gz QJSDIGAVGFJZOT-GOSISDBHSA-N 0 1 395.423 1.631 20 5 GDBDMN C[C@@H](NC(=O)c1ccc(NCC[NH+]2CCSCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736655554 600497778 /nfs/dbraw/zinc/49/77/78/600497778.db2.gz FDTHVFVBJGUGHG-LLVKDONJSA-N 0 1 382.442 1.258 20 5 GDBDMN CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000737115581 600593040 /nfs/dbraw/zinc/59/30/40/600593040.db2.gz LPANLTYDQVQFPS-CYBMUJFWSA-N 0 1 378.429 1.296 20 5 GDBDMN CC[C@@H]1CN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000829160101 600812599 /nfs/dbraw/zinc/81/25/99/600812599.db2.gz CYJKSXODBOEMFK-LLVKDONJSA-N 0 1 382.373 1.748 20 5 GDBDMN CC[C@@H]1CN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000829160101 600812601 /nfs/dbraw/zinc/81/26/01/600812601.db2.gz CYJKSXODBOEMFK-LLVKDONJSA-N 0 1 382.373 1.748 20 5 GDBDMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000593742060 601376145 /nfs/dbraw/zinc/37/61/45/601376145.db2.gz IYHGLJKRVWXEPQ-CQSZACIVSA-N 0 1 390.396 1.883 20 5 GDBDMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000593742060 601376147 /nfs/dbraw/zinc/37/61/47/601376147.db2.gz IYHGLJKRVWXEPQ-CQSZACIVSA-N 0 1 390.396 1.883 20 5 GDBDMN O=C([O-])[C@]1(NC(=O)Cn2ccc([N+](=O)[O-])n2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833122734 601741385 /nfs/dbraw/zinc/74/13/85/601741385.db2.gz LAAXFKXAMAJHHJ-SFHVURJKSA-N 0 1 387.396 1.027 20 5 GDBDMN Cc1ccc([C@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)o1 ZINC000826282991 607578615 /nfs/dbraw/zinc/57/86/15/607578615.db2.gz HVJMWEXWSCDHMZ-VIFPVBQESA-N 0 1 378.370 1.716 20 5 GDBDMN C[C@@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[C@H]1NC(=O)[O-] ZINC000739181486 602783117 /nfs/dbraw/zinc/78/31/17/602783117.db2.gz JUICIVHOJQMBLF-DGCLKSJQSA-N 0 1 378.385 1.871 20 5 GDBDMN CS[C@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826227157 607618645 /nfs/dbraw/zinc/61/86/45/607618645.db2.gz MSUQGMIKNWXGPE-UWVGGRQHSA-N 0 1 398.470 1.727 20 5 GDBDMN CC[C@@H](O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825154456 607633944 /nfs/dbraw/zinc/63/39/44/607633944.db2.gz PGCZZOPETUFIFU-ZYHUDNBSSA-N 0 1 396.429 1.089 20 5 GDBDMN CC(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824230050 607661745 /nfs/dbraw/zinc/66/17/45/607661745.db2.gz YOSNBGDSAIWVLL-YGRLFVJLSA-N 0 1 396.429 1.114 20 5 GDBDMN 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C[C@H]1CCC[C@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000820696710 606733966 /nfs/dbraw/zinc/73/39/66/606733966.db2.gz BHPGODAOFDJGNZ-QWRGUYRKSA-N 0 1 380.430 1.974 20 5 GDBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2C3CCCC2CCC3)c1-c1nn[nH]n1 ZINC000823648338 606735449 /nfs/dbraw/zinc/73/54/49/606735449.db2.gz VHWOWYAIAUAPCB-UHFFFAOYSA-N 0 1 378.414 1.871 20 5 GDBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]3CCC[C@H]32)c1-c1nn[nH]n1 ZINC000823646957 606735689 /nfs/dbraw/zinc/73/56/89/606735689.db2.gz DVDZKSSBQQPLHZ-WDEREUQCSA-N 0 1 378.414 1.728 20 5 GDBDMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc([N+](=O)[O-])ccc2C)c1-c1nnn[n-]1 ZINC000826077498 608022234 /nfs/dbraw/zinc/02/22/34/608022234.db2.gz KEQVQTOFXGHBSK-UHFFFAOYSA-N 0 1 385.388 1.211 20 5 GDBDMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc([N+](=O)[O-])ccc2C)c1-c1nn[n-]n1 ZINC000826077498 608022235 /nfs/dbraw/zinc/02/22/35/608022235.db2.gz KEQVQTOFXGHBSK-UHFFFAOYSA-N 0 1 385.388 1.211 20 5 GDBDMN 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376.413 1.471 20 5 GDBDMN C[C@H]1CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H](C(=O)[O-])C1 ZINC001594414267 999544461 /nfs/dbraw/zinc/54/44/61/999544461.db2.gz AIAKUJRTKZSKEW-YOEHRIQHSA-N 0 1 390.440 1.429 20 5 GDBDMN C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H](C(=O)[O-])C1 ZINC001594414267 999544463 /nfs/dbraw/zinc/54/44/63/999544463.db2.gz AIAKUJRTKZSKEW-YOEHRIQHSA-N 0 1 390.440 1.429 20 5 GDBDMN COc1c(F)cc(S(=O)(=O)NCCN2CCCCCC2)cc1[N+](=O)[O-] ZINC000186333967 530855535 /nfs/dbraw/zinc/85/55/35/530855535.db2.gz FFFJPTKOYIRDRM-UHFFFAOYSA-N 0 1 375.422 1.897 20 5 GDBDMN CNC(=O)C(C)(C)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000119846951 530931769 /nfs/dbraw/zinc/93/17/69/530931769.db2.gz GQWKLBSUXARARV-UHFFFAOYSA-N 0 1 384.241 1.952 20 5 GDBDMN CC(=O)N1CC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000126819776 531022860 /nfs/dbraw/zinc/02/28/60/531022860.db2.gz XSYFXDUSXMNQHM-SECBINFHSA-N 0 1 382.225 1.801 20 5 GDBDMN C[C@@H]1CN(c2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])CCS1 ZINC000264204069 531173336 /nfs/dbraw/zinc/17/33/36/531173336.db2.gz JXIYHXJFLFSNMW-GFCCVEGCSA-N 0 1 388.515 1.376 20 5 GDBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)CCN1 ZINC000155002514 531193589 /nfs/dbraw/zinc/19/35/89/531193589.db2.gz WOCFHCOBQBQZCV-MRVPVSSYSA-N 0 1 375.166 1.633 20 5 GDBDMN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000155642568 531201998 /nfs/dbraw/zinc/20/19/98/531201998.db2.gz OALJDXBCBYEXMI-MRVPVSSYSA-N 0 1 381.190 1.890 20 5 GDBDMN C[NH+](C)C1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCOCC1 ZINC000290339012 531225055 /nfs/dbraw/zinc/22/50/55/531225055.db2.gz BIBOVEXPTZWOFA-UHFFFAOYSA-N 0 1 395.840 1.776 20 5 GDBDMN C[NH+](C)[C@@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCSC1 ZINC000267218553 531412586 /nfs/dbraw/zinc/41/25/86/531412586.db2.gz UEKYNSYCEQTYNJ-CYBMUJFWSA-N 0 1 379.891 1.964 20 5 GDBDMN Cc1noc(CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000447867801 531438503 /nfs/dbraw/zinc/43/85/03/531438503.db2.gz FSUVWJRLUXLWCN-UHFFFAOYSA-N 0 1 377.176 1.527 20 5 GDBDMN C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H](O)c1ccccc1Br ZINC000295330729 531562700 /nfs/dbraw/zinc/56/27/00/531562700.db2.gz MUGWOCCPJPECQL-SWLSCSKDSA-N 0 1 399.245 1.580 20 5 GDBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H](CO)[C@@H]1CCCOC1 ZINC000416607809 531702993 /nfs/dbraw/zinc/70/29/93/531702993.db2.gz IVAMFPGDYKJISR-LDYMZIIASA-N 0 1 399.252 1.967 20 5 GDBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H](CO)[C@@H]1CCCOC1 ZINC000416607807 531703032 /nfs/dbraw/zinc/70/30/32/531703032.db2.gz IVAMFPGDYKJISR-KCJUWKMLSA-N 0 1 399.252 1.967 20 5 GDBDMN CC(C)(CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1(O)CCOCC1 ZINC000416657286 531726859 /nfs/dbraw/zinc/72/68/59/531726859.db2.gz JJWHSDFCYPDUIR-UHFFFAOYSA-N 0 1 376.406 1.580 20 5 GDBDMN CC(C)[NH+]1CCC(O)(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000269768379 531748303 /nfs/dbraw/zinc/74/83/03/531748303.db2.gz 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NC(=O)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000285852003 532117002 /nfs/dbraw/zinc/11/70/02/532117002.db2.gz CWXUPYVFORZHAN-WPRPVWTQSA-N 0 1 379.797 1.710 20 5 GDBDMN CCn1cc(S(=O)(=O)N2C[C@@H](N3CCCC3)[C@@H](SC)C2)c([N+](=O)[O-])n1 ZINC000331603545 532151846 /nfs/dbraw/zinc/15/18/46/532151846.db2.gz PIQPPEYGBGVRGK-NEPJUHHUSA-N 0 1 389.503 1.012 20 5 GDBDMN C[C@@H]1CCNC(=O)[C@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289453475 532325111 /nfs/dbraw/zinc/32/51/11/532325111.db2.gz VCBFTCPAQJNNKT-PELKAZGASA-N 0 1 389.193 1.814 20 5 GDBDMN CCn1cnnc1CNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289101645 532315511 /nfs/dbraw/zinc/31/55/11/532315511.db2.gz IZUBGEFLVNDBDI-UHFFFAOYSA-N 0 1 380.213 1.992 20 5 GDBDMN CCCC[C@H](C(=O)[O-])[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000563277982 599705092 /nfs/dbraw/zinc/70/50/92/599705092.db2.gz DCEWRXADSXSHLE-OAHLLOKOSA-N 0 1 399.469 1.853 20 5 GDBDMN CCOCC[N@@H+]1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1CC ZINC000737177155 600257910 /nfs/dbraw/zinc/25/79/10/600257910.db2.gz TYRKWSOQXLZLCD-OAHLLOKOSA-N 0 1 379.413 1.866 20 5 GDBDMN CCOCC[N@H+]1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1CC ZINC000737177155 600257911 /nfs/dbraw/zinc/25/79/11/600257911.db2.gz TYRKWSOQXLZLCD-OAHLLOKOSA-N 0 1 379.413 1.866 20 5 GDBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCC(=O)[O-])C1CCOCC1 ZINC000832097871 601049634 /nfs/dbraw/zinc/04/96/34/601049634.db2.gz PCSQWMPJZFXMHG-UHFFFAOYSA-N 0 1 381.385 1.498 20 5 GDBDMN Cc1cc(N2CC[N@H+](C[C@@H]3CN(C)CCO3)C[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832890712 602317113 /nfs/dbraw/zinc/31/71/13/602317113.db2.gz AUONLQAIVHGCOW-HOCLYGCPSA-N 0 1 392.456 1.443 20 5 GDBDMN CCC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCN(C(=O)[O-])C1 ZINC000739353288 602545817 /nfs/dbraw/zinc/54/58/17/602545817.db2.gz JLKNCTBNOCKWMV-HNNXBMFYSA-N 0 1 376.413 1.948 20 5 GDBDMN CCC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCN(C(=O)[O-])C1 ZINC000739353288 602545819 /nfs/dbraw/zinc/54/58/19/602545819.db2.gz JLKNCTBNOCKWMV-HNNXBMFYSA-N 0 1 376.413 1.948 20 5 GDBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cc(F)ccc2F)c1-c1nn[nH]n1 ZINC000826499949 607609192 /nfs/dbraw/zinc/60/91/92/607609192.db2.gz FRVJAOYYHGBXJA-UHFFFAOYSA-N 0 1 396.335 1.532 20 5 GDBDMN CS[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826227159 607618454 /nfs/dbraw/zinc/61/84/54/607618454.db2.gz MSUQGMIKNWXGPE-ZJUUUORDSA-N 0 1 398.470 1.727 20 5 GDBDMN CS[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826227156 607618510 /nfs/dbraw/zinc/61/85/10/607618510.db2.gz MSUQGMIKNWXGPE-NXEZZACHSA-N 0 1 398.470 1.727 20 5 GDBDMN C[C@H]1CC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[C@H](C)C1 ZINC000824875242 607639746 /nfs/dbraw/zinc/63/97/46/607639746.db2.gz JZUCONFCQLSBEC-NXEZZACHSA-N 0 1 380.430 1.878 20 5 GDBDMN C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCC(NC(=O)[O-])CC1 ZINC000828101878 603834672 /nfs/dbraw/zinc/83/46/72/603834672.db2.gz BMYKIZOYRVPJFH-UHFFFAOYSA-N 0 1 376.413 1.995 20 5 GDBDMN CCO[C@@H](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(C)C ZINC000825576461 607658605 /nfs/dbraw/zinc/65/86/05/607658605.db2.gz HVGXXUSCYHZKIU-LBPRGKRZSA-N 0 1 398.445 1.504 20 5 GDBDMN CC(=O)N1CCC[N@H+]([C@@H]2CN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])C[C@@H]2C)CC1 ZINC000833394412 605192057 /nfs/dbraw/zinc/19/20/57/605192057.db2.gz YEZVGWDPRBFION-SCLBCKFNSA-N 0 1 390.440 1.672 20 5 GDBDMN C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000833613740 605391887 /nfs/dbraw/zinc/39/18/87/605391887.db2.gz HAKYDSBMTMBMNU-RYUDHWBXSA-N 0 1 385.442 1.692 20 5 GDBDMN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833591788 605400129 /nfs/dbraw/zinc/40/01/29/605400129.db2.gz NEGKUENFKOATJY-XQQFMLRXSA-N 0 1 399.469 1.938 20 5 GDBDMN C[C@@H]1CN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC[N@@H+]1CCC(=O)[O-] ZINC000833625656 605408263 /nfs/dbraw/zinc/40/82/63/605408263.db2.gz ZOPLXRNSSXDUMX-SECBINFHSA-N 0 1 379.398 1.221 20 5 GDBDMN C[C@@H]1CN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC[N@H+]1CCC(=O)[O-] ZINC000833625656 605408267 /nfs/dbraw/zinc/40/82/67/605408267.db2.gz ZOPLXRNSSXDUMX-SECBINFHSA-N 0 1 379.398 1.221 20 5 GDBDMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000834181078 605432464 /nfs/dbraw/zinc/43/24/64/605432464.db2.gz BANJBMCRBJQXPZ-VNQPRFMTSA-N 0 1 388.424 1.852 20 5 GDBDMN CCC[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000821039543 606736042 /nfs/dbraw/zinc/73/60/42/606736042.db2.gz DHMDDEFPAGZUSI-LLVKDONJSA-N 0 1 380.430 1.976 20 5 GDBDMN O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000826496643 607849233 /nfs/dbraw/zinc/84/92/33/607849233.db2.gz CMMIOUNARYBFBQ-CYBMUJFWSA-N 0 1 388.432 1.251 20 5 GDBDMN O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000826496643 607849234 /nfs/dbraw/zinc/84/92/34/607849234.db2.gz CMMIOUNARYBFBQ-CYBMUJFWSA-N 0 1 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GDBDMN CC(C)N1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1=O ZINC000285156358 532039275 /nfs/dbraw/zinc/03/92/75/532039275.db2.gz LELJFPFPWJQFBF-SNVBAGLBSA-N 0 1 379.797 1.675 20 5 GDBDMN COC[C@@](C)(NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)OC ZINC000285884384 532119119 /nfs/dbraw/zinc/11/91/19/532119119.db2.gz FWWWPKCLZHRVAR-GFCCVEGCSA-N 0 1 384.769 1.244 20 5 GDBDMN C[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000289536891 532326850 /nfs/dbraw/zinc/32/68/50/532326850.db2.gz OZTFCVMIZUZNLE-QMMMGPOBSA-N 0 1 377.182 1.766 20 5 GDBDMN Cc1c([N+](=O)[O-])cc(C(=O)N2CC[NH+]([C@@H](C)CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000832856358 601122349 /nfs/dbraw/zinc/12/23/49/601122349.db2.gz RFIVVNTZUGLJBL-JTQLQIEISA-N 0 1 380.357 1.432 20 5 GDBDMN O=C([O-])N1CCC([N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000740500653 601933335 /nfs/dbraw/zinc/93/33/35/601933335.db2.gz RNVBQZXZANOFOQ-INIZCTEOSA-N 0 1 379.413 1.941 20 5 GDBDMN CN(CC1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1)C(=O)[O-] ZINC000739662163 602383876 /nfs/dbraw/zinc/38/38/76/602383876.db2.gz WVLFQWZHGFGGTQ-UHFFFAOYSA-N 0 1 376.413 1.806 20 5 GDBDMN Cc1ccccc1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826306672 607579022 /nfs/dbraw/zinc/57/90/22/607579022.db2.gz HNIIOPJOILZELV-UHFFFAOYSA-N 0 1 388.409 1.604 20 5 GDBDMN C[C@H](Cc1ccco1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824457332 607584771 /nfs/dbraw/zinc/58/47/71/607584771.db2.gz KAKGZXOQKMRNMD-SECBINFHSA-N 0 1 378.370 1.277 20 5 GDBDMN C[C@H]1CN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@H+]1CCC(=O)[O-] ZINC000833620812 605129759 /nfs/dbraw/zinc/12/97/59/605129759.db2.gz XZTJSTBAEZQUSZ-BLLLJJGKSA-N 0 1 390.396 1.095 20 5 GDBDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000833628899 605189567 /nfs/dbraw/zinc/18/95/67/605189567.db2.gz QAKWNLCFUONCAW-LLVKDONJSA-N 0 1 384.820 1.668 20 5 GDBDMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000832234517 605938356 /nfs/dbraw/zinc/93/83/56/605938356.db2.gz BIXWNJKDQMCWJF-NQKGRLOXSA-N 0 1 379.413 1.988 20 5 GDBDMN C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821614737 606713512 /nfs/dbraw/zinc/71/35/12/606713512.db2.gz SLDUATRNFMNVTQ-CQSZACIVSA-N 0 1 380.412 1.881 20 5 GDBDMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821614737 606713514 /nfs/dbraw/zinc/71/35/14/606713514.db2.gz SLDUATRNFMNVTQ-CQSZACIVSA-N 0 1 380.412 1.881 20 5 GDBDMN C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821614737 606713515 /nfs/dbraw/zinc/71/35/15/606713515.db2.gz SLDUATRNFMNVTQ-CQSZACIVSA-N 0 1 380.412 1.881 20 5 GDBDMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821614737 606713517 /nfs/dbraw/zinc/71/35/17/606713517.db2.gz SLDUATRNFMNVTQ-CQSZACIVSA-N 0 1 380.412 1.881 20 5 GDBDMN CC(C)OCCCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000820142113 606733719 /nfs/dbraw/zinc/73/37/19/606733719.db2.gz GLIVYUYQMIVNDY-UHFFFAOYSA-N 0 1 384.418 1.211 20 5 GDBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N(CC2CC2)CC2CC2)c1-c1nn[nH]n1 ZINC000823647262 606735501 /nfs/dbraw/zinc/73/55/01/606735501.db2.gz JDXXNCHCCIFBGB-UHFFFAOYSA-N 0 1 378.414 1.586 20 5 GDBDMN Cc1nc([C@H](C)NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n[nH]1 ZINC000508961726 648263717 /nfs/dbraw/zinc/26/37/17/648263717.db2.gz UTOOXWCRBCZELE-LURJTMIESA-N 0 1 397.189 1.600 20 5 GDBDMN CCCN1CCC[C@H]1CNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000510967069 648346722 /nfs/dbraw/zinc/34/67/22/648346722.db2.gz LTJODMAFIRNANK-NSHDSACASA-N 0 1 375.422 1.895 20 5 GDBDMN O=C([C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1)N1CCNCC1 ZINC000577165613 651711924 /nfs/dbraw/zinc/71/19/24/651711924.db2.gz PYHTWOPARGXTMF-NSHDSACASA-N 0 1 398.261 1.401 20 5 GDBDMN COC(=O)[C@@H]1CNCCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592553982 652195021 /nfs/dbraw/zinc/19/50/21/652195021.db2.gz ZGDFVOMWDKKVIM-LBPRGKRZSA-N 0 1 387.845 1.704 20 5 GDBDMN O=C(N[C@H]1CCCN(CCCO)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599977030 652520731 /nfs/dbraw/zinc/52/07/31/652520731.db2.gz GMRNKGUBIHVHFW-NSHDSACASA-N 0 1 386.246 1.934 20 5 GDBDMN CS[C@H]1CN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C[C@H]1N(C)C ZINC000601380231 652573531 /nfs/dbraw/zinc/57/35/31/652573531.db2.gz KPZZOAOMCQFPIA-OLZOCXBDSA-N 0 1 377.463 1.708 20 5 GDBDMN CN(C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000601450067 652583252 /nfs/dbraw/zinc/58/32/52/652583252.db2.gz HXAAXYYVQNIHLZ-UHFFFAOYSA-N 0 1 378.248 1.730 20 5 GDBDMN COc1ccnc(N2CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)CC2)c1 ZINC000768833428 654434383 /nfs/dbraw/zinc/43/43/83/654434383.db2.gz DUYZVFDIYOROSQ-UHFFFAOYSA-N 0 1 384.439 1.571 20 5 GDBDMN C[C@@H]1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC000768881704 654439496 /nfs/dbraw/zinc/43/94/96/654439496.db2.gz JDVWJOIFKMNSNP-OCCSQVGLSA-N 0 1 388.515 1.303 20 5 GDBDMN CCOC(=O)C(C)(C)n1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000768888002 654440309 /nfs/dbraw/zinc/44/03/09/654440309.db2.gz ILHYUKVHFJAJMO-UHFFFAOYSA-N 0 1 388.427 1.952 20 5 GDBDMN CNC(=O)Cn1cc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)cn1 ZINC000783816977 654870706 /nfs/dbraw/zinc/87/07/06/654870706.db2.gz QARKYMFYDQJBNQ-UHFFFAOYSA-N 0 1 387.805 1.300 20 5 GDBDMN COC(=O)[C@@H](CC(F)F)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809829686 655139824 /nfs/dbraw/zinc/13/98/24/655139824.db2.gz GIAWZFVTUKAEKJ-SSDOTTSWSA-N 0 1 390.723 1.862 20 5 GDBDMN O=C(CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)NC1CCCC1 ZINC000795811831 655188732 /nfs/dbraw/zinc/18/87/32/655188732.db2.gz LHYLVKAQYRAQAB-UHFFFAOYSA-N 0 1 379.797 1.724 20 5 GDBDMN CCc1nncn1CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795869498 655192179 /nfs/dbraw/zinc/19/21/79/655192179.db2.gz USFOBTXYHKSIBQ-UHFFFAOYSA-N 0 1 377.785 1.520 20 5 GDBDMN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000839655302 655259966 /nfs/dbraw/zinc/25/99/66/655259966.db2.gz NOSANZWHRGTWJU-VXGBXAGGSA-N 0 1 375.472 1.103 20 5 GDBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H](CO)[C@@H]2CCCOC2)c1 ZINC000841561966 655347713 /nfs/dbraw/zinc/34/77/13/655347713.db2.gz ZYIBNIURDTUUBI-KCJUWKMLSA-N 0 1 382.797 1.453 20 5 GDBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H](CO)[C@H]2CCCOC2)c1 ZINC000841561968 655347732 /nfs/dbraw/zinc/34/77/32/655347732.db2.gz ZYIBNIURDTUUBI-KWQFWETISA-N 0 1 382.797 1.453 20 5 GDBDMN CN1CC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1=O ZINC000819893832 655398242 /nfs/dbraw/zinc/39/82/42/655398242.db2.gz MHCIBHPGDFOPBB-QMMMGPOBSA-N 0 1 379.797 1.534 20 5 GDBDMN O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCN(Cc2nnc[nH]2)CC1 ZINC000846526097 655455943 /nfs/dbraw/zinc/45/59/43/655455943.db2.gz DBPRPBYJGPGWCO-UHFFFAOYSA-N 0 1 385.211 1.978 20 5 GDBDMN C[C@@H]1CN(CCNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[C@@H](C)CO1 ZINC000849428159 655533534 /nfs/dbraw/zinc/53/35/34/655533534.db2.gz UOSPLFRDGDZCMQ-VHSXEESVSA-N 0 1 395.840 1.775 20 5 GDBDMN C[C@@H]1CO[C@@H](C)CN1CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000849428160 655533566 /nfs/dbraw/zinc/53/35/66/655533566.db2.gz UOSPLFRDGDZCMQ-ZJUUUORDSA-N 0 1 395.840 1.775 20 5 GDBDMN COC(=O)[C@@](C)(CCF)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000849469484 655541304 /nfs/dbraw/zinc/54/13/04/655541304.db2.gz WHRKWAQBDONHPY-GFCCVEGCSA-N 0 1 386.760 1.957 20 5 GDBDMN CC[C@@](C)(CCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1OCCO1 ZINC000859048191 655760403 /nfs/dbraw/zinc/76/04/03/655760403.db2.gz BDKLUOLZDHMBNY-AWEZNQCLSA-N 0 1 376.435 1.176 20 5 GDBDMN O=C(Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000870888176 656252252 /nfs/dbraw/zinc/25/22/52/656252252.db2.gz KFIITBZYAKKMAT-DRCTWCGVSA-N 0 1 384.230 1.871 20 5 GDBDMN C[C@@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC000900803094 659147077 /nfs/dbraw/zinc/14/70/77/659147077.db2.gz HJQJWSFAUXVSDS-ZWNOBZJWSA-N 0 1 385.262 1.721 20 5 GDBDMN O=[N+]([O-])c1cnc(Cl)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871035 721046508 /nfs/dbraw/zinc/04/65/08/721046508.db2.gz XZSKRQCIWUCTTP-KGLIPLIRSA-N 0 1 390.831 1.913 20 5 GDBDMN COc1ncnc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164865949 721089359 /nfs/dbraw/zinc/08/93/59/721089359.db2.gz QEWDELGHKSJCIA-LSDHHAIUSA-N 0 1 386.412 1.268 20 5 GDBDMN COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164764034 721132096 /nfs/dbraw/zinc/13/20/96/721132096.db2.gz GPXRIXBWGLUCEJ-HUUCEWRRSA-N 0 1 387.444 1.394 20 5 GDBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CCn3cc(CN4CCN(C)CC4)nc3C2)n1 ZINC001164796857 721515346 /nfs/dbraw/zinc/51/53/46/721515346.db2.gz FFWMZEBZCGOYHO-UHFFFAOYSA-N 0 1 385.472 1.571 20 5 GDBDMN COC[C@]1(C(=O)[O-])CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001593968145 956585591 /nfs/dbraw/zinc/58/55/91/956585591.db2.gz YNADTIUGTUNBGT-HWPZZCPQSA-N 0 1 385.804 1.998 20 5 GDBDMN COC[C@]1(C(=O)[O-])CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001593968145 956585602 /nfs/dbraw/zinc/58/56/02/956585602.db2.gz YNADTIUGTUNBGT-HWPZZCPQSA-N 0 1 385.804 1.998 20 5 GDBDMN CCN(C1CC[NH+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000593736695 974985193 /nfs/dbraw/zinc/98/51/93/974985193.db2.gz SPSZVDHLCDXEMZ-UHFFFAOYSA-N 0 1 385.442 1.539 20 5 GDBDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001594514711 985852342 /nfs/dbraw/zinc/85/23/42/985852342.db2.gz IVXLYNGTKFFJGI-GFCCVEGCSA-N 0 1 394.384 1.443 20 5 GDBDMN C[N@H+]1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCCC(=O)[O-])[C@@H]2C1 ZINC001598574513 993253350 /nfs/dbraw/zinc/25/33/50/993253350.db2.gz KHRWBBIQVQTRBA-BXUZGUMPSA-N 0 1 379.438 1.938 20 5 GDBDMN COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC001598772910 995900565 /nfs/dbraw/zinc/90/05/65/995900565.db2.gz AXBUEPAXXGZVCZ-YGRLFVJLSA-N 0 1 380.353 1.300 20 5 GDBDMN COC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC001598772964 995901520 /nfs/dbraw/zinc/90/15/20/995901520.db2.gz BGPKZOKONPZTOX-IINYFYTJSA-N 0 1 397.359 1.401 20 5 GDBDMN COC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001598774416 995915021 /nfs/dbraw/zinc/91/50/21/995915021.db2.gz FJAVZFLSUMZPIJ-DGCLKSJQSA-N 0 1 382.369 1.320 20 5 GDBDMN COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C(=O)OC)CC[C@H]2C(=O)[O-])c1 ZINC001598987727 998709441 /nfs/dbraw/zinc/70/94/41/998709441.db2.gz IHSAKJDYGPWTMV-FZMZJTMJSA-N 0 1 380.353 1.220 20 5 GDBDMN COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](C(=O)OC)CC[C@H]2C(=O)[O-])c1 ZINC001598987729 998710146 /nfs/dbraw/zinc/71/01/46/998710146.db2.gz IHSAKJDYGPWTMV-RISCZKNCSA-N 0 1 380.353 1.220 20 5 GDBDMN COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)c1 ZINC001598987750 998710194 /nfs/dbraw/zinc/71/01/94/998710194.db2.gz IRYWFGVYYCZULT-LJQANCHMSA-N 0 1 392.408 1.963 20 5 GDBDMN C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001594226390 998867665 /nfs/dbraw/zinc/86/76/65/998867665.db2.gz OKVANZJMOMVNCP-FRRDWIJNSA-N 0 1 399.469 1.938 20 5 GDBDMN Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](O)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000158924876 530537814 /nfs/dbraw/zinc/53/78/14/530537814.db2.gz RAIYLBKJIMXMED-GFCCVEGCSA-N 0 1 391.877 1.682 20 5 GDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000161749089 530563709 /nfs/dbraw/zinc/56/37/09/530563709.db2.gz GZQPOZILLFPVBM-GFCCVEGCSA-N 0 1 375.422 1.249 20 5 GDBDMN CCN(CC)CCN(C(=O)c1csc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000193377952 530985325 /nfs/dbraw/zinc/98/53/25/530985325.db2.gz RWLBHHKTSRDUIF-ZDUSSCGKSA-N 0 1 389.499 1.627 20 5 GDBDMN Cc1sc(S(=O)(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000472735956 531239237 /nfs/dbraw/zinc/23/92/37/531239237.db2.gz MRJCUPNWPGXYKA-NSHDSACASA-N 0 1 376.504 1.269 20 5 GDBDMN CC(C)N1CC[C@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1=O ZINC000290679350 531248012 /nfs/dbraw/zinc/24/80/12/531248012.db2.gz GYQDLRDLSUKJJS-JTQLQIEISA-N 0 1 379.797 1.675 20 5 GDBDMN Cc1n[nH]c(C(=O)N2CCN(c3ccc(Br)cn3)CC2)c1[N+](=O)[O-] ZINC000523353953 531266405 /nfs/dbraw/zinc/26/64/05/531266405.db2.gz NEQZSBVVCIJHGM-UHFFFAOYSA-N 0 1 395.217 1.746 20 5 GDBDMN C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)CN1 ZINC000474185806 531271311 /nfs/dbraw/zinc/27/13/11/531271311.db2.gz SDNYNULCOZAEBD-IUCAKERBSA-N 0 1 378.248 1.728 20 5 GDBDMN C[C@@H]1CN(CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000277688358 531303708 /nfs/dbraw/zinc/30/37/08/531303708.db2.gz HFNFZQBPLMSNAX-GFCCVEGCSA-N 0 1 375.422 1.513 20 5 GDBDMN COc1cc(Cn2[nH]c(SC)nc2=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000475884502 531307561 /nfs/dbraw/zinc/30/75/61/531307561.db2.gz UTMMUNRQXSCHHA-UHFFFAOYSA-N 0 1 376.341 1.902 20 5 GDBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H](O)[C@H]1CCOC1 ZINC000443280737 531390604 /nfs/dbraw/zinc/39/06/04/531390604.db2.gz XVNFKHPOZSCBDC-CPCISQLKSA-N 0 1 385.225 1.577 20 5 GDBDMN Cc1c(NC(=O)C(=O)N2C[C@H](C)NC[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415577791 531497524 /nfs/dbraw/zinc/49/75/24/531497524.db2.gz ZEWFBOUJJIDBDN-DTWKUNHWSA-N 0 1 399.245 1.813 20 5 GDBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1 ZINC000610604543 531510509 /nfs/dbraw/zinc/51/05/09/531510509.db2.gz BMIVOEUHCDDRBN-OPRDCNLKSA-N 0 1 376.257 1.825 20 5 GDBDMN Cn1cc([C@@H](CO)NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cn1 ZINC000295219589 531543137 /nfs/dbraw/zinc/54/31/37/531543137.db2.gz VOHJYJLPYQMBRD-SECBINFHSA-N 0 1 395.224 1.647 20 5 GDBDMN CN(C)C(=O)CCN1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000268828499 531574777 /nfs/dbraw/zinc/57/47/77/531574777.db2.gz ROQWRDQFECTTGC-UHFFFAOYSA-N 0 1 385.262 1.958 20 5 GDBDMN C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)NC(C)(C)C ZINC000281164283 531587491 /nfs/dbraw/zinc/58/74/91/531587491.db2.gz LTSNIXHWFUCUIA-ZETCQYMHSA-N 0 1 381.813 1.969 20 5 GDBDMN Cc1c(Br)cc(S(=O)(=O)NC[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000451925189 531715705 /nfs/dbraw/zinc/71/57/05/531715705.db2.gz FVSMRRGAUXVLKE-QMMMGPOBSA-N 0 1 380.264 1.894 20 5 GDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCC1CCS(=O)(=O)CC1 ZINC000507879709 531753160 /nfs/dbraw/zinc/75/31/60/531753160.db2.gz SZDSKTUAODDZQF-UHFFFAOYSA-N 0 1 380.419 1.227 20 5 GDBDMN CC(C)[NH+]1CCC(O)(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000269851800 531784156 /nfs/dbraw/zinc/78/41/56/531784156.db2.gz QZGVWLSWAAILOE-UHFFFAOYSA-N 0 1 375.422 1.248 20 5 GDBDMN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCC[NH2+]CC1 ZINC000367162359 531816480 /nfs/dbraw/zinc/81/64/80/531816480.db2.gz AJNIGQOTVWCNEM-JTQLQIEISA-N 0 1 378.248 1.778 20 5 GDBDMN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594385551 531851462 /nfs/dbraw/zinc/85/14/62/531851462.db2.gz GUBVPVBMKMWVNZ-NWDGAFQWSA-N 0 1 384.230 1.557 20 5 GDBDMN COc1ccc(S(=O)(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000270596738 531899298 /nfs/dbraw/zinc/89/92/98/531899298.db2.gz VDZKLKUHYSBTEA-OLZOCXBDSA-N 0 1 375.472 1.270 20 5 GDBDMN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000299090896 531957284 /nfs/dbraw/zinc/95/72/84/531957284.db2.gz VJXLHSCFSXEQOS-QMMMGPOBSA-N 0 1 396.201 1.789 20 5 GDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCc2ccccc2C(F)(F)F)n1 ZINC000599217129 532013221 /nfs/dbraw/zinc/01/32/21/532013221.db2.gz AHEMBXNBQKZPAQ-UHFFFAOYSA-N 0 1 378.332 1.868 20 5 GDBDMN [NH3+]C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000420447639 532014680 /nfs/dbraw/zinc/01/46/80/532014680.db2.gz JYFVBGGTBPWOOZ-SCZZXKLOSA-N 0 1 378.248 1.763 20 5 GDBDMN C[C@H](COc1ccc(F)cc1F)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599217747 532014972 /nfs/dbraw/zinc/01/49/72/532014972.db2.gz IPPQZJITFDBPRF-MRVPVSSYSA-N 0 1 376.341 1.352 20 5 GDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCc2ccc(Br)cc2)n1 ZINC000599239237 532018596 /nfs/dbraw/zinc/01/85/96/532018596.db2.gz XJULWLMQRUGTCI-UHFFFAOYSA-N 0 1 389.231 1.612 20 5 GDBDMN Cc1nc(CN2CCN(c3c(Br)cncc3[N+](=O)[O-])CC2)n[nH]1 ZINC000302183289 532045736 /nfs/dbraw/zinc/04/57/36/532045736.db2.gz SMBOJWWWJZGJRZ-UHFFFAOYSA-N 0 1 382.222 1.501 20 5 GDBDMN CCN1CCN([C@@H]2CCN(S(=O)(=O)c3cc(C)sc3[N+](=O)[O-])C2)CC1 ZINC000601339757 532062178 /nfs/dbraw/zinc/06/21/78/532062178.db2.gz GYWQIDSSXVPFFJ-CYBMUJFWSA-N 0 1 388.515 1.365 20 5 GDBDMN O=C1NC(=O)C2(CCN(Cc3ccc(Br)cc3[N+](=O)[O-])CC2)N1 ZINC000425427691 532139195 /nfs/dbraw/zinc/13/91/95/532139195.db2.gz YVEKWNVPZIHUFE-UHFFFAOYSA-N 0 1 383.202 1.531 20 5 GDBDMN C[C@H]1CCNC(=O)[C@@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289453477 532324941 /nfs/dbraw/zinc/32/49/41/532324941.db2.gz VCBFTCPAQJNNKT-QPUJVOFHSA-N 0 1 389.193 1.814 20 5 GDBDMN O=[N+]([O-])c1cc(I)cc(CN[C@@]2(CO)CCOC2)c1 ZINC000289569252 532328330 /nfs/dbraw/zinc/32/83/30/532328330.db2.gz RRXCYGQBFBHKQX-GFCCVEGCSA-N 0 1 378.166 1.440 20 5 GDBDMN COCCN1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000821691304 599535185 /nfs/dbraw/zinc/53/51/85/599535185.db2.gz PLPDMLNDBVNXGH-GFCCVEGCSA-N 0 1 398.427 1.480 20 5 GDBDMN CC[N@H+]1CCC[C@H]1CN(C)c1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000829765362 601201732 /nfs/dbraw/zinc/20/17/32/601201732.db2.gz QTFJNOYPWPWTHB-JSGCOSHPSA-N 0 1 378.429 1.718 20 5 GDBDMN C[C@H](NC(=O)[O-])C1CC[NH+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000739023694 602457555 /nfs/dbraw/zinc/45/75/55/602457555.db2.gz HEWYLIYHMYMDDM-NHYWBVRUSA-N 0 1 390.396 1.595 20 5 GDBDMN CC(C)NC(=O)c1ccc(NCCC[NH+]2CCN(C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000738861533 602669954 /nfs/dbraw/zinc/66/99/54/602669954.db2.gz VYFBWULTBVSMCS-UHFFFAOYSA-N 0 1 393.444 1.831 20 5 GDBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccccc2F)c1-c1nn[nH]n1 ZINC000826500277 607577770 /nfs/dbraw/zinc/57/77/70/607577770.db2.gz RNGOBJXTCLFTOE-UHFFFAOYSA-N 0 1 378.345 1.393 20 5 GDBDMN COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000739919412 602782209 /nfs/dbraw/zinc/78/22/09/602782209.db2.gz IZNCDXVOVZKRHX-DGCLKSJQSA-N 0 1 380.401 1.910 20 5 GDBDMN CCc1nc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cs1 ZINC000825745444 607611815 /nfs/dbraw/zinc/61/18/15/607611815.db2.gz MHQZSSWPSWLLOU-UHFFFAOYSA-N 0 1 395.426 1.272 20 5 GDBDMN C[C@H]1CN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@H+]1CCC(=O)[O-] ZINC000833620814 605129554 /nfs/dbraw/zinc/12/95/54/605129554.db2.gz XZTJSTBAEZQUSZ-LRDDRELGSA-N 0 1 390.396 1.095 20 5 GDBDMN O=C([O-])N1CC[NH+](CCCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000834113498 605427043 /nfs/dbraw/zinc/42/70/43/605427043.db2.gz XTSCCHQJRLFCGR-UHFFFAOYSA-N 0 1 386.355 1.489 20 5 GDBDMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000833622793 605453105 /nfs/dbraw/zinc/45/31/05/605453105.db2.gz GOPIDRCZJIHYPR-LBPRGKRZSA-N 0 1 398.847 1.981 20 5 GDBDMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000834183731 605459241 /nfs/dbraw/zinc/45/92/41/605459241.db2.gz FWLLTCUENDNONY-QIJZBDPFSA-N 0 1 379.413 1.703 20 5 GDBDMN O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1([NH+]2CCSCC2)CCCC1 ZINC000823621178 606698604 /nfs/dbraw/zinc/69/86/04/606698604.db2.gz YFCWUVAJNILBPH-UHFFFAOYSA-N 0 1 390.473 1.943 20 5 GDBDMN O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1([NH+]2CCSCC2)CCCC1 ZINC000823621178 606698605 /nfs/dbraw/zinc/69/86/05/606698605.db2.gz YFCWUVAJNILBPH-UHFFFAOYSA-N 0 1 390.473 1.943 20 5 GDBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]3CCC[C@H]32)c1-c1nn[nH]n1 ZINC000823646952 606735419 /nfs/dbraw/zinc/73/54/19/606735419.db2.gz DVDZKSSBQQPLHZ-GHMZBOCLSA-N 0 1 378.414 1.728 20 5 GDBDMN O=[N+]([O-])c1ccc(N2CCN(C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000823640130 606844812 /nfs/dbraw/zinc/84/48/12/606844812.db2.gz UQRZUPRFJDNTBN-SFHVURJKSA-N 0 1 395.423 1.631 20 5 GDBDMN 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O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCCc3occc32)c1-c1nn[nH]n1 ZINC000826500328 607584542 /nfs/dbraw/zinc/58/45/42/607584542.db2.gz UHOCSZXQESBNBY-SNVBAGLBSA-N 0 1 390.381 1.724 20 5 GDBDMN C[C@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1CNC(=O)[O-] ZINC000825918346 603729481 /nfs/dbraw/zinc/72/94/81/603729481.db2.gz DTOYKMJEANYTEK-BLLLJJGKSA-N 0 1 376.413 1.852 20 5 GDBDMN C[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1CNC(=O)[O-] ZINC000825918346 603729486 /nfs/dbraw/zinc/72/94/86/603729486.db2.gz DTOYKMJEANYTEK-BLLLJJGKSA-N 0 1 376.413 1.852 20 5 GDBDMN CC(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824230049 607662002 /nfs/dbraw/zinc/66/20/02/607662002.db2.gz YOSNBGDSAIWVLL-QMTHXVAHSA-N 0 1 396.429 1.114 20 5 GDBDMN C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(C)(C)C[NH+](C)C ZINC000824641420 607666866 /nfs/dbraw/zinc/66/68/66/607666866.db2.gz WITTVDYXTUKVRK-JTQLQIEISA-N 0 1 397.461 1.030 20 5 GDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000830138185 604635117 /nfs/dbraw/zinc/63/51/17/604635117.db2.gz NCJRQRRJKQFXQQ-WFASDCNBSA-N 0 1 380.401 1.589 20 5 GDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000830138185 604635126 /nfs/dbraw/zinc/63/51/26/604635126.db2.gz NCJRQRRJKQFXQQ-WFASDCNBSA-N 0 1 380.401 1.589 20 5 GDBDMN O=C([O-])N1CCC2(CC[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000834093340 605381299 /nfs/dbraw/zinc/38/12/99/605381299.db2.gz KBFLCHBRCUSXGD-CQSZACIVSA-N 0 1 379.413 1.800 20 5 GDBDMN C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000833613739 605392471 /nfs/dbraw/zinc/39/24/71/605392471.db2.gz HAKYDSBMTMBMNU-NWDGAFQWSA-N 0 1 385.442 1.692 20 5 GDBDMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000833834160 605909627 /nfs/dbraw/zinc/90/96/27/605909627.db2.gz MTVXPUZQFMJHBX-NWDGAFQWSA-N 0 1 378.385 1.871 20 5 GDBDMN 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Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000830138184 604635301 /nfs/dbraw/zinc/63/53/01/604635301.db2.gz NCJRQRRJKQFXQQ-SWLSCSKDSA-N 0 1 380.401 1.589 20 5 GDBDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000833420850 604868087 /nfs/dbraw/zinc/86/80/87/604868087.db2.gz ZVXJRZDHFBSBJA-NSHDSACASA-N 0 1 375.381 1.971 20 5 GDBDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000833420850 604868089 /nfs/dbraw/zinc/86/80/89/604868089.db2.gz ZVXJRZDHFBSBJA-NSHDSACASA-N 0 1 375.381 1.971 20 5 GDBDMN CCOc1cc(C(=O)N2CC[N@H+](CCC(=O)[O-])C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000833661988 605160096 /nfs/dbraw/zinc/16/00/96/605160096.db2.gz ZZCWIGJYBOEGSQ-GFCCVEGCSA-N 0 1 395.412 1.623 20 5 GDBDMN CCOc1cc(C(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000833661988 605160100 /nfs/dbraw/zinc/16/01/00/605160100.db2.gz ZZCWIGJYBOEGSQ-GFCCVEGCSA-N 0 1 395.412 1.623 20 5 GDBDMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000834185882 605437152 /nfs/dbraw/zinc/43/71/52/605437152.db2.gz IJPHNUIVWSEVSJ-VNQPRFMTSA-N 0 1 388.424 1.852 20 5 GDBDMN CC(C)[C@H](O)C(C)(C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824199321 607818432 /nfs/dbraw/zinc/81/84/32/607818432.db2.gz HYDJTTJFKRSCJD-ZDUSSCGKSA-N 0 1 398.445 1.096 20 5 GDBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCc3ccsc3C2)c1-c1nn[nH]n1 ZINC000826500199 608026765 /nfs/dbraw/zinc/02/67/65/608026765.db2.gz ODPIOXUSKDLOPH-UHFFFAOYSA-N 0 1 392.422 1.583 20 5 GDBDMN CCC[C@@H]1CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CCN1CCOC ZINC000825259946 608303752 /nfs/dbraw/zinc/30/37/52/608303752.db2.gz LLLSHVWUSBTSNJ-CQSZACIVSA-N 0 1 375.433 1.712 20 5 GDBDMN C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[C@H](C)O1 ZINC000824891504 608447373 /nfs/dbraw/zinc/44/73/73/608447373.db2.gz AMLRWMLTTPOBTL-ILWJIGKKSA-N 0 1 382.402 1.009 20 5 GDBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cc(Cl)ccn2)c1-c1nn[nH]n1 ZINC000826499975 608568420 /nfs/dbraw/zinc/56/84/20/608568420.db2.gz HBGZPVCKQDXWKF-UHFFFAOYSA-N 0 1 395.788 1.302 20 5 GDBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](CCO)c2ccccc2Br)c1 ZINC000541948373 650396004 /nfs/dbraw/zinc/39/60/04/650396004.db2.gz HAYDNHLGFHPYPH-SWLSCSKDSA-N 0 1 399.245 1.628 20 5 GDBDMN C[C@@H](C[S@](C)=O)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000543167414 650419462 /nfs/dbraw/zinc/41/94/62/650419462.db2.gz PCDGJJBCCSHISS-SVPXGXJHSA-N 0 1 375.255 1.947 20 5 GDBDMN C[C@H]1CSC[C@H]1Nc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000553673652 650653675 /nfs/dbraw/zinc/65/36/75/650653675.db2.gz FSMPMJFIQQYKNK-SMDDNHRTSA-N 0 1 388.515 1.598 20 5 GDBDMN [NH3+][C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000124975424 644711086 /nfs/dbraw/zinc/71/10/86/644711086.db2.gz VKAGGEGHQLWLGG-VHSXEESVSA-N 0 1 378.248 1.906 20 5 GDBDMN CC(C)(CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])OCCO ZINC000569340993 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1.730 20 5 GDBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCC[C@]2(O)CCCOC2)c1 ZINC000846027843 655445212 /nfs/dbraw/zinc/44/52/12/655445212.db2.gz WVLZRIUQGIYLBI-CYBMUJFWSA-N 0 1 382.797 1.597 20 5 GDBDMN CC(C)[C@@H]1CNCCN1C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000861509700 655824192 /nfs/dbraw/zinc/82/41/92/655824192.db2.gz OKESWVXAOHJICO-ZDUSSCGKSA-N 0 1 399.245 1.752 20 5 GDBDMN CCn1cc(S(=O)(=O)Nc2cc(C(=O)OC)cnc2Cl)c([N+](=O)[O-])n1 ZINC000863449624 655873445 /nfs/dbraw/zinc/87/34/45/655873445.db2.gz QSYMVSKVMHBKRT-UHFFFAOYSA-N 0 1 389.777 1.447 20 5 GDBDMN C[C@@H](CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000865816622 655927673 /nfs/dbraw/zinc/92/76/73/655927673.db2.gz NJCUSCOJNJBXKR-LBPRGKRZSA-N 0 1 399.289 1.652 20 5 GDBDMN Cc1cc(OS(=O)(=O)CCCN2CCN(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000867125165 655999105 /nfs/dbraw/zinc/99/91/05/655999105.db2.gz UBNXNYUSSIMULQ-UHFFFAOYSA-N 0 1 375.422 1.388 20 5 GDBDMN CN1CCN(CCCS(=O)(=O)Oc2ccc([N+](=O)[O-])c(F)c2F)CC1 ZINC000867345654 656042232 /nfs/dbraw/zinc/04/22/32/656042232.db2.gz SPMVOUCPGPHTHG-UHFFFAOYSA-N 0 1 379.385 1.219 20 5 GDBDMN C[C@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC000900803090 659147170 /nfs/dbraw/zinc/14/71/70/659147170.db2.gz HJQJWSFAUXVSDS-GXFFZTMASA-N 0 1 385.262 1.721 20 5 GDBDMN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164732055 720477155 /nfs/dbraw/zinc/47/71/55/720477155.db2.gz YIVKQZBPBDXBTE-HZPDHXFCSA-N 0 1 397.439 1.900 20 5 GDBDMN COc1cc(C)nc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164770584 721118118 /nfs/dbraw/zinc/11/81/18/721118118.db2.gz RAOCQFKTNCQOSK-CVEARBPZSA-N 0 1 386.456 1.999 20 5 GDBDMN O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000823620995 946458609 /nfs/dbraw/zinc/45/86/09/946458609.db2.gz VIYCUTRQBXFVOE-KGLIPLIRSA-N 0 1 388.432 1.350 20 5 GDBDMN O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000823620995 946458613 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DKJGLEHNPKGVNV-WFASDCNBSA-N 0 1 376.413 1.995 20 5 GDBDMN COc1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826220885 607571465 /nfs/dbraw/zinc/57/14/65/607571465.db2.gz FJPMIBXNMFKDJX-UHFFFAOYSA-N 0 1 377.338 1.551 20 5 GDBDMN C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)c1ccccn1 ZINC000824640519 607600101 /nfs/dbraw/zinc/60/01/01/607600101.db2.gz KEWHBMPDVHQPGD-VIFPVBQESA-N 0 1 375.370 1.209 20 5 GDBDMN C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)c1cccc(O)c1 ZINC000824640556 607629435 /nfs/dbraw/zinc/62/94/35/607629435.db2.gz KXGODCCFOMUZOM-SECBINFHSA-N 0 1 390.381 1.520 20 5 GDBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCC(C2CC2)C2CC2)c1-c1nn[nH]n1 ZINC000826500345 607655504 /nfs/dbraw/zinc/65/55/04/607655504.db2.gz VBJSZINULJPUGL-UHFFFAOYSA-N 0 1 378.414 1.489 20 5 GDBDMN COCCC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCC1 ZINC000826155453 607672103 /nfs/dbraw/zinc/67/21/03/607672103.db2.gz QULUZVSYKZZKRX-UHFFFAOYSA-N 0 1 396.429 1.260 20 5 GDBDMN 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C[C@@H]1CCN(CCNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000610409375 652883418 /nfs/dbraw/zinc/88/34/18/652883418.db2.gz RUNGCAUHYIMZKF-SNVBAGLBSA-N 0 1 392.275 1.977 20 5 GDBDMN NC(=O)C1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000610898749 652898451 /nfs/dbraw/zinc/89/84/51/652898451.db2.gz ZYWJYWSPSRPAET-UHFFFAOYSA-N 0 1 398.224 1.214 20 5 GDBDMN CC[S@@](=O)CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000742293988 654700766 /nfs/dbraw/zinc/70/07/66/654700766.db2.gz SQNNRIHEPKJWPG-HXUWFJFHSA-N 0 1 375.255 1.949 20 5 GDBDMN Cc1nonc1CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000742325449 654702891 /nfs/dbraw/zinc/70/28/91/654702891.db2.gz OIXZNGZCSJQDSG-UHFFFAOYSA-N 0 1 377.176 1.527 20 5 GDBDMN Cc1[nH]ncc1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br ZINC000778526130 654742687 /nfs/dbraw/zinc/74/26/87/654742687.db2.gz YHNKXLJMLHLJNX-UHFFFAOYSA-N 0 1 396.201 1.952 20 5 GDBDMN CS[C@@H]1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@H]1N1CCCC1 ZINC000782482966 654833068 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386.412 1.650 20 5 GDBDMN COc1cc(C)nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164770585 721119094 /nfs/dbraw/zinc/11/90/94/721119094.db2.gz RAOCQFKTNCQOSK-HOTGVXAUSA-N 0 1 386.456 1.999 20 5 GDBDMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cccc([N+](=O)[O-])n4)C3)O2)CC1 ZINC001164892226 721392926 /nfs/dbraw/zinc/39/29/26/721392926.db2.gz SEOSTPFHNYGUPR-VQIMIIECSA-N 0 1 375.473 1.755 20 5 GDBDMN O=C([O-])c1ccc([N+](=O)[O-])c(NCCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000574159528 974777731 /nfs/dbraw/zinc/77/77/31/974777731.db2.gz LHODKGMOTUFCJJ-UHFFFAOYSA-N 0 1 387.400 1.102 20 5 GDBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCC2([NH+]3CCOCC3)CCCCC2)n1 ZINC000592966688 974976705 /nfs/dbraw/zinc/97/67/05/974976705.db2.gz UTJLTBPXQZJXTG-UHFFFAOYSA-N 0 1 378.429 2.443 20 5 GDBDMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001594521363 985990342 /nfs/dbraw/zinc/99/03/42/985990342.db2.gz DYPGYSPTVMIEBB-ZDUSSCGKSA-N 0 1 387.396 1.402 20 5 GDBDMN 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Cc1cc(S(=O)(=O)NC[C@H](O)CN2CCCCC2)cc([N+](=O)[O-])c1F ZINC000180080017 530757326 /nfs/dbraw/zinc/75/73/26/530757326.db2.gz WWABOBLGWMXRTA-LBPRGKRZSA-N 0 1 375.422 1.167 20 5 GDBDMN COc1c(F)cc(S(=O)(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000187177131 530868184 /nfs/dbraw/zinc/86/81/84/530868184.db2.gz MGNXEMCZLSQVDL-QWRGUYRKSA-N 0 1 375.422 1.846 20 5 GDBDMN Cc1sc(S(=O)(=O)Nc2cc(-n3cnnn3)ccc2F)cc1[N+](=O)[O-] ZINC000119048362 530921971 /nfs/dbraw/zinc/92/19/71/530921971.db2.gz DOCWUKVFUUTUEH-UHFFFAOYSA-N 0 1 384.374 1.880 20 5 GDBDMN C[C@H](O)c1ncc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000290190096 531214469 /nfs/dbraw/zinc/21/44/69/531214469.db2.gz CBGWUOCNHWLAJS-JTQLQIEISA-N 0 1 386.455 1.173 20 5 GDBDMN Cn1c(SCc2cc(O)ccc2[N+](=O)[O-])nnc1[C@@H]1CCS(=O)(=O)C1 ZINC000436477818 531280061 /nfs/dbraw/zinc/28/00/61/531280061.db2.gz ZULCBFWDNSUKSP-SECBINFHSA-N 0 1 384.439 1.623 20 5 GDBDMN CN1CCCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000291259521 531281893 /nfs/dbraw/zinc/28/18/93/531281893.db2.gz KMCSOCGIMMGGQS-UHFFFAOYSA-N 0 1 385.218 1.460 20 5 GDBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H](O)COCC1CC1 ZINC000443208157 531388131 /nfs/dbraw/zinc/38/81/31/531388131.db2.gz ATMSNRBQDXJQON-SNVBAGLBSA-N 0 1 399.252 1.967 20 5 GDBDMN Cc1n[nH]c(CCNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000561298646 531691086 /nfs/dbraw/zinc/69/10/86/531691086.db2.gz SWZSRYGGFANXBT-UHFFFAOYSA-N 0 1 397.189 1.081 20 5 GDBDMN O=C([C@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1)N1CCNCC1 ZINC000591425706 531723325 /nfs/dbraw/zinc/72/33/25/531723325.db2.gz KLHZNCAMHCEZJE-NSHDSACASA-N 0 1 398.261 1.401 20 5 GDBDMN CCN1CCN(CC(C)(C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000452045800 531758424 /nfs/dbraw/zinc/75/84/24/531758424.db2.gz GTIDETRIETZERP-UHFFFAOYSA-N 0 1 376.504 1.351 20 5 GDBDMN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000367778330 531861818 /nfs/dbraw/zinc/86/18/18/531861818.db2.gz KPEKVJWRGSQUJA-IUCAKERBSA-N 0 1 382.211 1.336 20 5 GDBDMN CCn1cc(S(=O)(=O)Nc2nn(C)cc2Br)c([N+](=O)[O-])n1 ZINC000573000419 531973889 /nfs/dbraw/zinc/97/38/89/531973889.db2.gz BISUASJPHYWCHL-UHFFFAOYSA-N 0 1 379.196 1.108 20 5 GDBDMN CCC[C@@H](O)[C@@H](CO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000419837089 531976899 /nfs/dbraw/zinc/97/68/99/531976899.db2.gz ZTCTUFYGRIXXGX-CHWSQXEVSA-N 0 1 394.209 1.811 20 5 GDBDMN CC[C@H](CSc1ccccc1[N+](=O)[O-])NC1CN(S(=O)(=O)N(C)C)C1 ZINC000599085984 532004050 /nfs/dbraw/zinc/00/40/50/532004050.db2.gz GPUTXYQAOOLNHU-GFCCVEGCSA-N 0 1 388.515 1.546 20 5 GDBDMN [NH3+]C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000420447636 532014126 /nfs/dbraw/zinc/01/41/26/532014126.db2.gz JYFVBGGTBPWOOZ-PSASIEDQSA-N 0 1 378.248 1.763 20 5 GDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@H]2CSc3ccccc3O2)n1 ZINC000599335374 532029961 /nfs/dbraw/zinc/02/99/61/532029961.db2.gz TYOGATPLVIWXLS-JTQLQIEISA-N 0 1 384.439 1.550 20 5 GDBDMN CCOC(=O)C[C@@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])CC(C)C ZINC000599340701 532029657 /nfs/dbraw/zinc/02/96/57/532029657.db2.gz YGMNQBWUCRSDGN-NSHDSACASA-N 0 1 376.435 1.222 20 5 GDBDMN NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])O1 ZINC000470625537 532086226 /nfs/dbraw/zinc/08/62/26/532086226.db2.gz KXJOEUUNVRFIRV-GMSGAONNSA-N 0 1 398.224 1.213 20 5 GDBDMN CC[NH+]1CCN(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000286464410 532152171 /nfs/dbraw/zinc/15/21/71/532152171.db2.gz OUHBVLRZNCNMMH-UHFFFAOYSA-N 0 1 394.856 1.303 20 5 GDBDMN O=[N+]([O-])c1cnc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738375028 599044427 /nfs/dbraw/zinc/04/44/27/599044427.db2.gz XZOJHZZHANPLEA-SFHVURJKSA-N 0 1 396.411 1.219 20 5 GDBDMN O=[N+]([O-])c1cnc(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738375028 599044431 /nfs/dbraw/zinc/04/44/31/599044431.db2.gz XZOJHZZHANPLEA-SFHVURJKSA-N 0 1 396.411 1.219 20 5 GDBDMN CCOc1cc(C(=O)N=c2cc[nH]cc2-c2nn[nH]n2)c([N+](=O)[O-])cc1OC ZINC000736628979 598381499 /nfs/dbraw/zinc/38/14/99/598381499.db2.gz ZWIVABUYMLSEKH-UHFFFAOYSA-N 0 1 385.340 1.251 20 5 GDBDMN O=C([O-])CC1CC[NH+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000738564318 599838476 /nfs/dbraw/zinc/83/84/76/599838476.db2.gz PBYUQDMMEOFEKF-UHFFFAOYSA-N 0 1 376.369 1.508 20 5 GDBDMN C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000826033751 607451833 /nfs/dbraw/zinc/45/18/33/607451833.db2.gz JGQMEXVDQZJUBE-HNNXBMFYSA-N 0 1 386.460 1.381 20 5 GDBDMN C[N@H+]1CCCC[C@H]1CN1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000826033751 607451835 /nfs/dbraw/zinc/45/18/35/607451835.db2.gz JGQMEXVDQZJUBE-HNNXBMFYSA-N 0 1 386.460 1.381 20 5 GDBDMN O=C([O-])CC[N@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CCOCC1 ZINC000833233383 600720386 /nfs/dbraw/zinc/72/03/86/600720386.db2.gz VMZGJZBDAFFDFA-UHFFFAOYSA-N 0 1 377.353 1.104 20 5 GDBDMN O=C([O-])CC[N@@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CCOCC1 ZINC000833233383 600720387 /nfs/dbraw/zinc/72/03/87/600720387.db2.gz VMZGJZBDAFFDFA-UHFFFAOYSA-N 0 1 377.353 1.104 20 5 GDBDMN C[C@H](Cc1cccs1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824457055 607584493 /nfs/dbraw/zinc/58/44/93/607584493.db2.gz DABAZIBKEWZSSE-SECBINFHSA-N 0 1 394.438 1.746 20 5 GDBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739931182 602776784 /nfs/dbraw/zinc/77/67/84/602776784.db2.gz DDGAPHBVWIKKKO-AAEUAGOBSA-N 0 1 380.401 1.910 20 5 GDBDMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000825251999 604206459 /nfs/dbraw/zinc/20/64/59/604206459.db2.gz BSJGMBBKXSPYHT-GXTWGEPZSA-N 0 1 376.413 1.852 20 5 GDBDMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000825251999 604206463 /nfs/dbraw/zinc/20/64/63/604206463.db2.gz BSJGMBBKXSPYHT-GXTWGEPZSA-N 0 1 376.413 1.852 20 5 GDBDMN Cc1ccc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cc1 ZINC000822237151 606731228 /nfs/dbraw/zinc/73/12/28/606731228.db2.gz HNMCMLYALRDWGM-UHFFFAOYSA-N 0 1 388.409 1.904 20 5 GDBDMN CCCN(CC(F)F)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821094465 606732617 /nfs/dbraw/zinc/73/26/17/606732617.db2.gz JPNWDJGMXLCKPB-UHFFFAOYSA-N 0 1 376.345 1.441 20 5 GDBDMN CCc1[nH]nc(C(=O)N2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1[N+](=O)[O-] ZINC000825679841 608085465 /nfs/dbraw/zinc/08/54/65/608085465.db2.gz JOXOXGZBPWVSDQ-ZDUSSCGKSA-N 0 1 398.383 1.274 20 5 GDBDMN CC[C@@H](CSC)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825126603 608306790 /nfs/dbraw/zinc/30/67/90/608306790.db2.gz JFXMSTPDZHOYHG-VIFPVBQESA-N 0 1 386.459 1.537 20 5 GDBDMN C[C@H](NCC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824565069 608468458 /nfs/dbraw/zinc/46/84/58/608468458.db2.gz YNJZDTRQFJMHHZ-LBPRGKRZSA-N 0 1 381.396 1.742 20 5 GDBDMN CC1(C)C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C(C)(C)O1 ZINC000824790811 609330539 /nfs/dbraw/zinc/33/05/39/609330539.db2.gz RLOCZLASBYACFW-LLVKDONJSA-N 0 1 396.429 1.399 20 5 GDBDMN O=[N+]([O-])c1cnc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c(-c2nn[n-]n2)c1 ZINC000826500606 609388826 /nfs/dbraw/zinc/38/88/26/609388826.db2.gz FBMMYNHBFDIFOV-HNNXBMFYSA-N 0 1 396.411 1.349 20 5 GDBDMN O=[N+]([O-])c1cnc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(-c2nn[n-]n2)c1 ZINC000826500606 609388828 /nfs/dbraw/zinc/38/88/28/609388828.db2.gz FBMMYNHBFDIFOV-HNNXBMFYSA-N 0 1 396.411 1.349 20 5 GDBDMN C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)c1nnc[nH]1 ZINC000128947688 644732313 /nfs/dbraw/zinc/73/23/13/644732313.db2.gz YPZPOXRRCUEZAF-LURJTMIESA-N 0 1 376.192 1.515 20 5 GDBDMN Cc1cc(Cl)c(S(=O)(=O)NC[C@H](O)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000158929114 644838831 /nfs/dbraw/zinc/83/88/31/644838831.db2.gz JNHLTBSBEGMCOB-LBPRGKRZSA-N 0 1 391.877 1.682 20 5 GDBDMN CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000330540918 645372632 /nfs/dbraw/zinc/37/26/32/645372632.db2.gz RWBYQDQSXRWUQL-VXGBXAGGSA-N 0 1 379.891 1.914 20 5 GDBDMN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000369560462 645649677 /nfs/dbraw/zinc/64/96/77/645649677.db2.gz ZBENRFBJRWOUGL-SNVBAGLBSA-N 0 1 383.162 1.084 20 5 GDBDMN C[C@H](Cn1cncn1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462300872 647521538 /nfs/dbraw/zinc/52/15/38/647521538.db2.gz VXNRXSJPAHIWGF-SSDOTTSWSA-N 0 1 380.213 1.860 20 5 GDBDMN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC(N(C)C)C1 ZINC000513613613 648436719 /nfs/dbraw/zinc/43/67/19/648436719.db2.gz QYDVCGIRWSQLOK-UHFFFAOYSA-N 0 1 389.193 1.894 20 5 GDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000594769903 652359343 /nfs/dbraw/zinc/35/93/43/652359343.db2.gz BPIQDFOJEQUXMH-JOYOIKCWSA-N 0 1 383.348 1.752 20 5 GDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000594769904 652359371 /nfs/dbraw/zinc/35/93/71/652359371.db2.gz BPIQDFOJEQUXMH-SKDRFNHKSA-N 0 1 383.348 1.752 20 5 GDBDMN CCN1CCCN(S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000601440503 652582329 /nfs/dbraw/zinc/58/23/29/652582329.db2.gz QYQSHYQHDLGXDJ-NSHDSACASA-N 0 1 375.422 1.847 20 5 GDBDMN CS(=O)(=O)C[C@@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000768863927 654437928 /nfs/dbraw/zinc/43/79/28/654437928.db2.gz FREXFABEZJOILQ-GFCCVEGCSA-N 0 1 390.464 1.721 20 5 GDBDMN C[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795881361 655193444 /nfs/dbraw/zinc/19/34/44/655193444.db2.gz YPDOPNPHOQQHPS-SSDOTTSWSA-N 0 1 388.826 1.489 20 5 GDBDMN COC(=O)C[C@]1(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCOC1 ZINC000795931101 655196524 /nfs/dbraw/zinc/19/65/24/655196524.db2.gz HKPXRUSKJAUOEI-CYBMUJFWSA-N 0 1 396.780 1.388 20 5 GDBDMN C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000815703683 655302648 /nfs/dbraw/zinc/30/26/48/655302648.db2.gz KSQINJFYNRCQCE-ZANVPECISA-N 0 1 397.229 1.458 20 5 GDBDMN O=C1[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@H]2CCCCN12 ZINC000841529446 655338618 /nfs/dbraw/zinc/33/86/18/655338618.db2.gz BNQXVZYCGMYWRP-KCJUWKMLSA-N 0 1 391.808 1.819 20 5 GDBDMN [NH3+]C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000842480339 655366897 /nfs/dbraw/zinc/36/68/97/655366897.db2.gz UZVIWBFMGGLKPT-WPRPVWTQSA-N 0 1 378.248 1.763 20 5 GDBDMN [NH3+]C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000842480317 655366929 /nfs/dbraw/zinc/36/69/29/655366929.db2.gz UZVIWBFMGGLKPT-PSASIEDQSA-N 0 1 378.248 1.763 20 5 GDBDMN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000843098300 655388426 /nfs/dbraw/zinc/38/84/26/655388426.db2.gz NXYBRCBEJHOBFX-KBPBESRZSA-N 0 1 386.451 1.114 20 5 GDBDMN CCON(C)C(=O)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000846004820 655443271 /nfs/dbraw/zinc/44/32/71/655443271.db2.gz XBRMNZDAEHVPII-UHFFFAOYSA-N 0 1 386.213 1.590 20 5 GDBDMN CN(CCC[NH+](C)C)CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000849429486 655533822 /nfs/dbraw/zinc/53/38/22/655533822.db2.gz RLNXOASWRGYRMM-UHFFFAOYSA-N 0 1 378.882 1.410 20 5 GDBDMN COC(=O)[C@@](C)(CCF)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000849468754 655541043 /nfs/dbraw/zinc/54/10/43/655541043.db2.gz DIBSWGYCHIGXAR-GFCCVEGCSA-N 0 1 386.760 1.957 20 5 GDBDMN CCCc1[nH]nc(C(=O)N2CCn3ncc(Br)c3C2)c1[N+](=O)[O-] ZINC000856010251 655706117 /nfs/dbraw/zinc/70/61/17/655706117.db2.gz DBPFTIUHJUINQU-UHFFFAOYSA-N 0 1 383.206 1.885 20 5 GDBDMN CN1CCN(C)[C@H](CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000865706715 655924692 /nfs/dbraw/zinc/92/46/92/655924692.db2.gz ZZXMODUAKVTKPN-GFCCVEGCSA-N 0 1 385.262 1.262 20 5 GDBDMN CCOc1nc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164738205 720735919 /nfs/dbraw/zinc/73/59/19/720735919.db2.gz FCJXROBGPVCVRH-UONOGXRCSA-N 0 1 386.412 1.520 20 5 GDBDMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc([N+](=O)[O-])c(N)n4)C3)O2)CC1 ZINC001164883463 721419763 /nfs/dbraw/zinc/41/97/63/721419763.db2.gz AAKGQJCLFWDLNJ-BEFAXECRSA-N 0 1 390.488 1.337 20 5 GDBDMN CN(C)C(=O)CN1CCC2(CCCN2c2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1 ZINC001165010585 721740156 /nfs/dbraw/zinc/74/01/56/721740156.db2.gz OYZAIVVIUFYFGS-UHFFFAOYSA-N 0 1 386.456 1.994 20 5 GDBDMN Cc1ncc([N+](=O)[O-])c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981669 722112281 /nfs/dbraw/zinc/11/22/81/722112281.db2.gz UTMQBGCEZMJCRE-FUHWJXTLSA-N 0 1 384.440 1.816 20 5 GDBDMN Cc1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164971160 722152017 /nfs/dbraw/zinc/15/20/17/722152017.db2.gz AXDHXKVHINMGRE-SJLPKXTDSA-N 0 1 384.440 1.816 20 5 GDBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001331818854 961390187 /nfs/dbraw/zinc/39/01/87/961390187.db2.gz NYNBMXMFMWTMGI-SFHVURJKSA-N 0 1 377.397 1.213 20 5 GDBDMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC001592415660 978012781 /nfs/dbraw/zinc/01/27/81/978012781.db2.gz IUAQRZPCZNFSOU-LBPRGKRZSA-N 0 1 393.396 1.377 20 5 GDBDMN Cc1c(C(=O)N2CC[N@H+](CCC(=O)[O-])[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001599976497 986100097 /nfs/dbraw/zinc/10/00/97/986100097.db2.gz FNVIFHKZZSGJKC-SNVBAGLBSA-N 0 1 380.357 1.432 20 5 GDBDMN Cc1c(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001599976497 986100104 /nfs/dbraw/zinc/10/01/04/986100104.db2.gz FNVIFHKZZSGJKC-SNVBAGLBSA-N 0 1 380.357 1.432 20 5 GDBDMN C[N@@H+](CCCN1C(=O)CS/C1=C\C(=O)[O-])CCc1cccc([N+](=O)[O-])c1 ZINC001598479234 992121695 /nfs/dbraw/zinc/12/16/95/992121695.db2.gz VNKHWIHIDGBBNY-WJDWOHSUSA-N 0 1 379.438 1.961 20 5 GDBDMN COC(=O)COc1ccc(C[N@@H+]2CCSC[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC001598866695 996710459 /nfs/dbraw/zinc/71/04/59/996710459.db2.gz MOCOGCCOXARWEH-LBPRGKRZSA-N 0 1 384.410 1.539 20 5 GDBDMN COC(=O)COc1ccc(C[N@H+]2CCSC[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC001598866695 996710461 /nfs/dbraw/zinc/71/04/61/996710461.db2.gz MOCOGCCOXARWEH-LBPRGKRZSA-N 0 1 384.410 1.539 20 5 GDBDMN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[NH+]2CCC(CC(=O)[O-])CC2)C1=O ZINC001594072891 997925934 /nfs/dbraw/zinc/92/59/34/997925934.db2.gz LZZCTCBXEISMAO-SFHVURJKSA-N 0 1 390.396 1.506 20 5 GDBDMN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC(=O)[O-])CC1 ZINC001599266449 998476617 /nfs/dbraw/zinc/47/66/17/998476617.db2.gz UQKKHUAIEKGDTQ-UHFFFAOYSA-N 0 1 383.426 1.176 20 5 GDBDMN C[C@H](NC(=O)c1ccc(NCC[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001594383731 999449981 /nfs/dbraw/zinc/44/99/81/999449981.db2.gz KNOIBZXQILUOKT-STQMWFEESA-N 0 1 378.429 1.942 20 5 GDBDMN Cc1c(Cl)cc(S(=O)(=O)NCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000012141181 530555020 /nfs/dbraw/zinc/55/50/20/530555020.db2.gz XICHHSKQTFMRTD-UHFFFAOYSA-N 0 1 376.866 1.082 20 5 GDBDMN CN(C)[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000171426990 530599321 /nfs/dbraw/zinc/59/93/21/530599321.db2.gz IMOWVQAAJBAHQN-JTQLQIEISA-N 0 1 378.248 1.682 20 5 GDBDMN NC(=O)c1cc([N+](=O)[O-])cn(Cc2nc3ccc(Br)cc3[nH]2)c1=O ZINC000185514509 530843126 /nfs/dbraw/zinc/84/31/26/530843126.db2.gz GGCRGGGGTNAZEE-UHFFFAOYSA-N 0 1 392.169 1.543 20 5 GDBDMN C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000125993500 531013379 /nfs/dbraw/zinc/01/33/79/531013379.db2.gz OIBQXSPDMJASFV-PRHODGIISA-N 0 1 398.268 1.899 20 5 GDBDMN CCN(CC)CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCS(=O)(=O)C1 ZINC000195171041 531016853 /nfs/dbraw/zinc/01/68/53/531016853.db2.gz DCIZUHVZRHQGQX-LBPRGKRZSA-N 0 1 389.499 1.627 20 5 GDBDMN CN(C)CCNS(=O)(=O)c1ccc(N2CCCSCC2)c([N+](=O)[O-])c1 ZINC000264798576 531201051 /nfs/dbraw/zinc/20/10/51/531201051.db2.gz BVVOSCLNKVHFAG-UHFFFAOYSA-N 0 1 388.515 1.378 20 5 GDBDMN C[C@@H]1OCC[C@@]1(O)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000433447531 531225755 /nfs/dbraw/zinc/22/57/55/531225755.db2.gz OQFLPMAGPAAEFV-JVXZTZIISA-N 0 1 385.225 1.720 20 5 GDBDMN O=C(CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])NCC(F)F ZINC000481616838 531387255 /nfs/dbraw/zinc/38/72/55/531387255.db2.gz WVPAEUZMSSWWIJ-UHFFFAOYSA-N 0 1 392.167 1.561 20 5 GDBDMN COC(=O)[C@]1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCOC1 ZINC000447181910 531418874 /nfs/dbraw/zinc/41/88/74/531418874.db2.gz ONDDOKUJNUYTKN-LBPRGKRZSA-N 0 1 399.208 1.512 20 5 GDBDMN CN(C)CCNS(=O)(=O)c1ccc(NC[C@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000279565649 531440757 /nfs/dbraw/zinc/44/07/57/531440757.db2.gz UKRRFGGXICWYIX-GFCCVEGCSA-N 0 1 388.515 1.600 20 5 GDBDMN CSc1cccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2O)c1[N+](=O)[O-] ZINC000486957584 531465502 /nfs/dbraw/zinc/46/55/02/531465502.db2.gz MNZPRDRMFLHYAO-UHFFFAOYSA-N 0 1 383.407 1.922 20 5 GDBDMN COc1c(F)cc(S(=O)(=O)N[C@@H]2CCCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000280644434 531521537 /nfs/dbraw/zinc/52/15/37/531521537.db2.gz VGVZOZFHOVADOX-LLVKDONJSA-N 0 1 375.422 1.894 20 5 GDBDMN C[N@H+](C[C@H](O)c1ccccc1Br)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000295330731 531561117 /nfs/dbraw/zinc/56/11/17/531561117.db2.gz MUGWOCCPJPECQL-WFASDCNBSA-N 0 1 399.245 1.580 20 5 GDBDMN C[C@@H]1SCC[C@H]1Nc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000592001203 531748438 /nfs/dbraw/zinc/74/84/38/531748438.db2.gz QFWYDLVOBLCACP-WCQYABFASA-N 0 1 388.515 1.741 20 5 GDBDMN CN(C)CCCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCS(=O)(=O)C1 ZINC000298086381 531849717 /nfs/dbraw/zinc/84/97/17/531849717.db2.gz LDLYARUYOVXYCC-NSHDSACASA-N 0 1 375.472 1.237 20 5 GDBDMN C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000599290938 532026816 /nfs/dbraw/zinc/02/68/16/532026816.db2.gz FPGYMDKWOQKLKN-YFKPBYRVSA-N 0 1 385.349 1.843 20 5 GDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)n1 ZINC000599288095 532026257 /nfs/dbraw/zinc/02/62/57/532026257.db2.gz QPAXFYHRDJSNKP-LDYMZIIASA-N 0 1 386.352 1.090 20 5 GDBDMN Cc1c(Cl)cc(S(=O)(=O)N2CCC[N@@H+](CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000275247506 532280321 /nfs/dbraw/zinc/28/03/21/532280321.db2.gz HIIVKHOXTQISAP-UHFFFAOYSA-N 0 1 391.833 1.338 20 5 GDBDMN NS(=O)(=O)c1cc(F)cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000391583348 532298526 /nfs/dbraw/zinc/29/85/26/532298526.db2.gz FWFKQYMPTUGEIE-UHFFFAOYSA-N 0 1 375.359 1.182 20 5 GDBDMN CN(CCOCCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289344478 532321861 /nfs/dbraw/zinc/32/18/61/532321861.db2.gz GHYKBEUNOWUMMN-UHFFFAOYSA-N 0 1 380.182 1.640 20 5 GDBDMN CN1C[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)CC1=O ZINC000289905869 532333664 /nfs/dbraw/zinc/33/36/64/532333664.db2.gz NTQDTPRCJCEJTP-SNVBAGLBSA-N 0 1 375.166 1.520 20 5 GDBDMN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc(-c2nn[nH]n2)cc1F ZINC000823630038 607328453 /nfs/dbraw/zinc/32/84/53/607328453.db2.gz QFUGXBUCQRYIIV-UHFFFAOYSA-N 0 1 382.308 1.854 20 5 GDBDMN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])C1=O ZINC000736740407 599840962 /nfs/dbraw/zinc/84/09/62/599840962.db2.gz ASDSYYPTSZROQX-KDOFPFPSSA-N 0 1 390.396 1.649 20 5 GDBDMN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])C1=O ZINC000736740407 599840964 /nfs/dbraw/zinc/84/09/64/599840964.db2.gz ASDSYYPTSZROQX-KDOFPFPSSA-N 0 1 390.396 1.649 20 5 GDBDMN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)C1=O ZINC000736742333 600419721 /nfs/dbraw/zinc/41/97/21/600419721.db2.gz REQZXWGYTFBNSK-PIGZYNQJSA-N 0 1 376.369 1.116 20 5 GDBDMN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)C1=O ZINC000736742333 600419723 /nfs/dbraw/zinc/41/97/23/600419723.db2.gz REQZXWGYTFBNSK-PIGZYNQJSA-N 0 1 376.369 1.116 20 5 GDBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000832481739 601022516 /nfs/dbraw/zinc/02/25/16/601022516.db2.gz ORMOIYAHUAWASS-LBPRGKRZSA-N 0 1 383.426 1.824 20 5 GDBDMN O=C([O-])[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000833171305 601376921 /nfs/dbraw/zinc/37/69/21/601376921.db2.gz NPTZAEXQLCBKDJ-INIZCTEOSA-N 0 1 393.831 1.888 20 5 GDBDMN Cc1cc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)ccc1F ZINC000826266792 607582102 /nfs/dbraw/zinc/58/21/02/607582102.db2.gz BLWWTFRCNKSYGM-UHFFFAOYSA-N 0 1 392.372 1.701 20 5 GDBDMN C[C@@H]1C[NH+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H](C)N1C(=O)[O-] ZINC000739180389 602991641 /nfs/dbraw/zinc/99/16/41/602991641.db2.gz FAQCGNWZKSEAFL-VXGBXAGGSA-N 0 1 378.385 1.965 20 5 GDBDMN C[C@@H]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)[C@@H](C)C1 ZINC000824919796 607614749 /nfs/dbraw/zinc/61/47/49/607614749.db2.gz YVSYVSRRCPHFJE-VWYCJHECSA-N 0 1 380.430 1.878 20 5 GDBDMN Cc1cnc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)s1 ZINC000826318715 607649254 /nfs/dbraw/zinc/64/92/54/607649254.db2.gz WHNKODSGGTZYFX-UHFFFAOYSA-N 0 1 381.399 1.018 20 5 GDBDMN CCOC[C@@H](O)C[NH+]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000829983927 604265433 /nfs/dbraw/zinc/26/54/33/604265433.db2.gz DFLCNXRSRFWIEW-NSHDSACASA-N 0 1 387.820 1.466 20 5 GDBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833549933 604982141 /nfs/dbraw/zinc/98/21/41/604982141.db2.gz IWIXYRHAMRZJFN-HZMBPMFUSA-N 0 1 376.369 1.863 20 5 GDBDMN C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000833613741 605391691 /nfs/dbraw/zinc/39/16/91/605391691.db2.gz HAKYDSBMTMBMNU-VXGBXAGGSA-N 0 1 385.442 1.692 20 5 GDBDMN C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000833589198 605392421 /nfs/dbraw/zinc/39/24/21/605392421.db2.gz AHCZFZZROJHGSR-BETUJISGSA-N 0 1 399.469 1.939 20 5 GDBDMN C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])Cc1ccccc1 ZINC000833693914 605392627 /nfs/dbraw/zinc/39/26/27/605392627.db2.gz ZORMGKQJOPRRDP-UHFFFAOYSA-N 0 1 393.421 1.703 20 5 GDBDMN C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])Cc1ccccc1 ZINC000833693914 605392635 /nfs/dbraw/zinc/39/26/35/605392635.db2.gz ZORMGKQJOPRRDP-UHFFFAOYSA-N 0 1 393.421 1.703 20 5 GDBDMN CC[NH+](CC)CCO[C@@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821189373 606714754 /nfs/dbraw/zinc/71/47/54/606714754.db2.gz LCYNMXQQVKMZDX-GFCCVEGCSA-N 0 1 376.421 1.107 20 5 GDBDMN CC[NH+](CC)CCO[C@@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821189373 606714755 /nfs/dbraw/zinc/71/47/55/606714755.db2.gz LCYNMXQQVKMZDX-GFCCVEGCSA-N 0 1 376.421 1.107 20 5 GDBDMN CC(C)C[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000820069321 606732585 /nfs/dbraw/zinc/73/25/85/606732585.db2.gz ZYEIFFKJERGZRR-NSHDSACASA-N 0 1 380.430 1.974 20 5 GDBDMN CCC[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000821039545 606736095 /nfs/dbraw/zinc/73/60/95/606736095.db2.gz DHMDDEFPAGZUSI-NSHDSACASA-N 0 1 380.430 1.976 20 5 GDBDMN CC1(C)C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 ZINC000824788860 607819326 /nfs/dbraw/zinc/81/93/26/607819326.db2.gz CYYJLSDLCWEYAA-SECBINFHSA-N 0 1 382.402 1.011 20 5 GDBDMN C[C@@H](O)C[NH+]1CCC(CN(C)c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000824706920 607841082 /nfs/dbraw/zinc/84/10/82/607841082.db2.gz MANCICVMSKJIFW-GFCCVEGCSA-N 0 1 375.433 1.304 20 5 GDBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOCC23CCCC3)c1-c1nn[nH]n1 ZINC000826499967 608097426 /nfs/dbraw/zinc/09/74/26/608097426.db2.gz GQTDXACQLJRPPF-UHFFFAOYSA-N 0 1 394.413 1.109 20 5 GDBDMN O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000826497791 609388192 /nfs/dbraw/zinc/38/81/92/609388192.db2.gz VADGBHPQRBBDIM-AWEZNQCLSA-N 0 1 396.411 1.349 20 5 GDBDMN O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000826497791 609388194 /nfs/dbraw/zinc/38/81/94/609388194.db2.gz VADGBHPQRBBDIM-AWEZNQCLSA-N 0 1 396.411 1.349 20 5 GDBDMN O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000826497791 609388195 /nfs/dbraw/zinc/38/81/95/609388195.db2.gz VADGBHPQRBBDIM-AWEZNQCLSA-N 0 1 396.411 1.349 20 5 GDBDMN O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000826497791 609388197 /nfs/dbraw/zinc/38/81/97/609388197.db2.gz VADGBHPQRBBDIM-AWEZNQCLSA-N 0 1 396.411 1.349 20 5 GDBDMN CN(C)CCNS(=O)(=O)c1ccc(N2CCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000538448285 650311351 /nfs/dbraw/zinc/31/13/51/650311351.db2.gz QYCFEGUAJYLHSK-UHFFFAOYSA-N 0 1 378.401 1.280 20 5 GDBDMN C[N@@H+](CC(=O)[O-])C1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000262479043 645132271 /nfs/dbraw/zinc/13/22/71/645132271.db2.gz VMEKZDHIOGHESU-UHFFFAOYSA-N 0 1 391.833 1.418 20 5 GDBDMN C[C@@H]1[C@H](C)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000262803085 645139523 /nfs/dbraw/zinc/13/95/23/645139523.db2.gz VZNZWFAKMOWQGT-DTWKUNHWSA-N 0 1 378.248 1.728 20 5 GDBDMN COc1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])c(Br)c1 ZINC000461118613 647484590 /nfs/dbraw/zinc/48/45/90/647484590.db2.gz MLJKOFAURIASNY-UHFFFAOYSA-N 0 1 388.199 1.984 20 5 GDBDMN C[S@](=O)CCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462345323 647524311 /nfs/dbraw/zinc/52/43/11/647524311.db2.gz GXWDZRKVOTYOHS-FQEVSTJZSA-N 0 1 375.255 1.949 20 5 GDBDMN COC(=O)Cn1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000475824100 647765756 /nfs/dbraw/zinc/76/57/56/647765756.db2.gz CBJXTWDUPQFYIX-UHFFFAOYSA-N 0 1 388.789 1.727 20 5 GDBDMN CN1C[C@@H]2CCN(S(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000589926517 652121396 /nfs/dbraw/zinc/12/13/96/652121396.db2.gz VJLVREFBCZRRQR-JOYOIKCWSA-N 0 1 390.259 1.682 20 5 GDBDMN CC[C@H](C)[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000599267006 652481948 /nfs/dbraw/zinc/48/19/48/652481948.db2.gz XKYIKGPNRMEQKM-ONGXEEELSA-N 0 1 376.435 1.363 20 5 GDBDMN CN(CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000741755619 654692172 /nfs/dbraw/zinc/69/21/72/654692172.db2.gz FOBDZKPCAHKKQU-UHFFFAOYSA-N 0 1 378.248 1.730 20 5 GDBDMN C[C@@H]1CCN(CCNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000745943205 654752153 /nfs/dbraw/zinc/75/21/53/654752153.db2.gz YGSOPLOQTAIKAL-SNVBAGLBSA-N 0 1 392.275 1.977 20 5 GDBDMN O=[N+]([O-])c1cc(S(=O)(=O)NCCc2nnc(-c3ccccc3)[nH]2)cs1 ZINC000790877581 655060550 /nfs/dbraw/zinc/06/05/50/655060550.db2.gz SMFLDGGTGLHTCM-UHFFFAOYSA-N 0 1 379.423 1.962 20 5 GDBDMN CS(=O)(=O)c1ccccc1NNS(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000765120571 655230604 /nfs/dbraw/zinc/23/06/04/655230604.db2.gz JXXAJZUTXAJJFX-UHFFFAOYSA-N 0 1 389.386 1.443 20 5 GDBDMN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000841524882 655337111 /nfs/dbraw/zinc/33/71/11/655337111.db2.gz QVSAGMZUMKMMRI-JTQLQIEISA-N 0 1 392.275 1.896 20 5 GDBDMN Cn1nccc1[C@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000841544451 655342665 /nfs/dbraw/zinc/34/26/65/655342665.db2.gz KHCSYIKMSKDSNR-VIFPVBQESA-N 0 1 378.769 1.133 20 5 GDBDMN Cc1c(CS(=O)(=O)[N-]C(=O)C[N@@H+](C)[C@@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000842404085 655365214 /nfs/dbraw/zinc/36/52/14/655365214.db2.gz NHGNNBIPTPDBEU-CYBMUJFWSA-N 0 1 387.483 1.287 20 5 GDBDMN Cc1c(CS(=O)(=O)[N-]C(=O)C[N@H+](C)[C@@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000842404085 655365216 /nfs/dbraw/zinc/36/52/16/655365216.db2.gz NHGNNBIPTPDBEU-CYBMUJFWSA-N 0 1 387.483 1.287 20 5 GDBDMN O=C(NCCN1CC[C@H](O)C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000863832547 655882773 /nfs/dbraw/zinc/88/27/73/655882773.db2.gz ZHOXZAGLGITYLX-VIFPVBQESA-N 0 1 376.182 1.293 20 5 GDBDMN CS[C@@H]1CN(S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000867026260 655988664 /nfs/dbraw/zinc/98/86/64/655988664.db2.gz UUKCDRVDQVBFBC-QWHCGFSZSA-N 0 1 377.463 1.708 20 5 GDBDMN C[C@@H](CN1CCOCC1)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000881863889 656975277 /nfs/dbraw/zinc/97/52/77/656975277.db2.gz HWQLOSBFVVRZHR-NSHDSACASA-N 0 1 386.246 1.942 20 5 GDBDMN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CN(C)CCN1C ZINC000896563645 658790098 /nfs/dbraw/zinc/79/00/98/658790098.db2.gz NRWOIWUOGQTLJF-HZMBPMFUSA-N 0 1 385.262 1.721 20 5 GDBDMN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164732058 720478935 /nfs/dbraw/zinc/47/89/35/720478935.db2.gz YIVKQZBPBDXBTE-JKSUJKDBSA-N 0 1 397.439 1.900 20 5 GDBDMN O=[N+]([O-])c1cnc(Cl)cc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746217 720642623 /nfs/dbraw/zinc/64/26/23/720642623.db2.gz WHHUZJVUFLUHFX-RYUDHWBXSA-N 0 1 376.804 1.775 20 5 GDBDMN O=[N+]([O-])c1cc(Cl)cc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164736751 720672580 /nfs/dbraw/zinc/67/25/80/720672580.db2.gz AZINRIOSNNXBPT-CHWSQXEVSA-N 0 1 376.804 1.775 20 5 GDBDMN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)ncc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164772194 721075747 /nfs/dbraw/zinc/07/57/47/721075747.db2.gz USLFTKVNDDOETN-CHWSQXEVSA-N 0 1 377.836 1.730 20 5 GDBDMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cccc([N+](=O)[O-])n4)C3)O2)CC1 ZINC001164892219 721392849 /nfs/dbraw/zinc/39/28/49/721392849.db2.gz SEOSTPFHNYGUPR-APWZRJJASA-N 0 1 375.473 1.755 20 5 GDBDMN Cc1ncc([N+](=O)[O-])c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981662 722112041 /nfs/dbraw/zinc/11/20/41/722112041.db2.gz UTMQBGCEZMJCRE-AEFFLSMTSA-N 0 1 384.440 1.816 20 5 GDBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001594112978 958537463 /nfs/dbraw/zinc/53/74/63/958537463.db2.gz YHJITULXBIJMHF-DDTOSNHZSA-N 0 1 377.397 1.973 20 5 GDBDMN CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000593736308 974984321 /nfs/dbraw/zinc/98/43/21/974984321.db2.gz AUGWRVHNESMXHY-UHFFFAOYSA-N 0 1 385.442 1.539 20 5 GDBDMN CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC001595906816 982977902 /nfs/dbraw/zinc/97/79/02/982977902.db2.gz LRTHAJJPSNLRIF-GFCCVEGCSA-N 0 1 378.385 1.140 20 5 GDBDMN CCO[C@H]1C[C@]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)(C(=O)[O-])C1(C)C ZINC001596834207 985475684 /nfs/dbraw/zinc/47/56/84/985475684.db2.gz WOERVERUZRUOMK-KSSFIOAISA-N 0 1 379.413 1.806 20 5 GDBDMN CCOCC[NH+]1CCN(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC001596929262 986014133 /nfs/dbraw/zinc/01/41/33/986014133.db2.gz WGNCBRMGAGXMAQ-UHFFFAOYSA-N 0 1 380.401 1.787 20 5 GDBDMN CCOc1cc(C(=O)N2CC[N@H+](CCC(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC001596999394 986306874 /nfs/dbraw/zinc/30/68/74/986306874.db2.gz QTYQERAHHNDGMH-LBPRGKRZSA-N 0 1 395.412 1.623 20 5 GDBDMN CCOc1cc(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC001596999394 986306881 /nfs/dbraw/zinc/30/68/81/986306881.db2.gz QTYQERAHHNDGMH-LBPRGKRZSA-N 0 1 395.412 1.623 20 5 GDBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001589437638 986757941 /nfs/dbraw/zinc/75/79/41/986757941.db2.gz GDHPVLVBEBIQCT-PSVSLLHZSA-N 0 1 397.815 1.998 20 5 GDBDMN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001599822922 988545000 /nfs/dbraw/zinc/54/50/00/988545000.db2.gz OSEYZMVLUUONMX-KRWDZBQOSA-N 0 1 395.437 1.318 20 5 GDBDMN C[N@@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1ccsc1 ZINC001598494447 992345143 /nfs/dbraw/zinc/34/51/43/992345143.db2.gz XSMKMVCLKXLLLE-CQSZACIVSA-N 0 1 399.450 1.692 20 5 GDBDMN CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1 ZINC001591364546 992357770 /nfs/dbraw/zinc/35/77/70/992357770.db2.gz HCLVZGOFDZBJLV-ZDUSSCGKSA-N 0 1 399.469 1.939 20 5 GDBDMN C[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@H](C(=O)[O-])C1 ZINC001598621575 994015012 /nfs/dbraw/zinc/01/50/12/994015012.db2.gz SDJOGBIXGABAAP-MRVPVSSYSA-N 0 1 395.796 1.024 20 5 GDBDMN C[N@H+]1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@H](C(=O)[O-])C1 ZINC001598621575 994015015 /nfs/dbraw/zinc/01/50/15/994015015.db2.gz SDJOGBIXGABAAP-MRVPVSSYSA-N 0 1 395.796 1.024 20 5 GDBDMN C[C@H](NC(=O)c1ccc(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593170235 994025944 /nfs/dbraw/zinc/02/59/44/994025944.db2.gz JXNMPVGNCUMNSC-CFVMTHIKSA-N 0 1 390.440 1.718 20 5 GDBDMN C[C@@H](NC(=O)c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593170764 994027913 /nfs/dbraw/zinc/02/79/13/994027913.db2.gz OXVWMYAFAHPOFS-NDNKKMJESA-N 0 1 376.413 1.835 20 5 GDBDMN COC(=O)[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001598767899 995853451 /nfs/dbraw/zinc/85/34/51/995853451.db2.gz KSJMNMMQVUFLHX-SMDDNHRTSA-N 0 1 379.369 1.262 20 5 GDBDMN COC(=O)[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001598767899 995853457 /nfs/dbraw/zinc/85/34/57/995853457.db2.gz KSJMNMMQVUFLHX-SMDDNHRTSA-N 0 1 379.369 1.262 20 5 GDBDMN COC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001598774415 995914920 /nfs/dbraw/zinc/91/49/20/995914920.db2.gz FJAVZFLSUMZPIJ-AAEUAGOBSA-N 0 1 382.369 1.320 20 5 GDBDMN CO[C@H]1CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H](C(=O)[O-])C1 ZINC001599125354 997834844 /nfs/dbraw/zinc/83/48/44/997834844.db2.gz LRSSIQCXKSHCHG-GXTWGEPZSA-N 0 1 379.369 1.457 20 5 GDBDMN C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC001594383006 999445131 /nfs/dbraw/zinc/44/51/31/999445131.db2.gz KAJSVRAZEYMZLC-NWDGAFQWSA-N 0 1 385.442 1.692 20 5 GDBDMN CNS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000031555975 530602982 /nfs/dbraw/zinc/60/29/82/530602982.db2.gz GWUPWPAJJQAVBN-UHFFFAOYSA-N 0 1 385.423 1.612 20 5 GDBDMN C[C@@H](CCN1CCN(C)CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000185349772 530840926 /nfs/dbraw/zinc/84/09/26/530840926.db2.gz MIDUKFNOYMAVMU-LBPRGKRZSA-N 0 1 390.893 1.553 20 5 GDBDMN 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380.412 1.801 20 5 GDBDMN CC[NH+]1CCN(CCCCNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000737114498 600385520 /nfs/dbraw/zinc/38/55/20/600385520.db2.gz BCVSFHSQBOBURE-UHFFFAOYSA-N 0 1 378.429 1.441 20 5 GDBDMN C[C@H](NC(=O)c1ccc(N2CC[N@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657441 600431992 /nfs/dbraw/zinc/43/19/92/600431992.db2.gz SCGLIMDUHYTJAF-JSGCOSHPSA-N 0 1 376.413 1.472 20 5 GDBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000828029361 601889008 /nfs/dbraw/zinc/88/90/08/601889008.db2.gz ZFFOWIHUPPGNOA-SJORKVTESA-N 0 1 376.369 1.116 20 5 GDBDMN C[C@@H](CN(C)C(=O)[O-])C(N)=[NH+]OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000738907740 602672022 /nfs/dbraw/zinc/67/20/22/602672022.db2.gz JLIKFTKJFVWITO-JTQLQIEISA-N 0 1 379.373 1.228 20 5 GDBDMN C[C@H](CN(C)C(=O)[O-])C(N)=[NH+]OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000738907742 602672183 /nfs/dbraw/zinc/67/21/83/602672183.db2.gz JLIKFTKJFVWITO-SNVBAGLBSA-N 0 1 379.373 1.228 20 5 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997075927 /nfs/dbraw/zinc/07/59/27/997075927.db2.gz PWMSJTHVDMMDMK-GOSISDBHSA-N 0 1 395.412 1.888 20 5 GDBDMN C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001594374994 999413964 /nfs/dbraw/zinc/41/39/64/999413964.db2.gz IMBZTCKWLNCZKT-GFCCVEGCSA-N 0 1 385.442 1.836 20 5 GDBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1CC[NH+](CCO)CC1 ZINC000161400407 530559719 /nfs/dbraw/zinc/55/97/19/530559719.db2.gz LBXRDLANNJSUKK-UHFFFAOYSA-N 0 1 377.850 1.231 20 5 GDBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000067116631 530772915 /nfs/dbraw/zinc/77/29/15/530772915.db2.gz SGBYGSATEYMNKD-UHFFFAOYSA-N 0 1 385.423 1.605 20 5 GDBDMN C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000120482758 530941152 /nfs/dbraw/zinc/94/11/52/530941152.db2.gz KKWZSINKPGSRFP-LLVKDONJSA-N 0 1 385.262 1.723 20 5 GDBDMN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)CCN1 ZINC000155249130 531197915 /nfs/dbraw/zinc/19/79/15/531197915.db2.gz XIPLZPLPKUHXPX-MRVPVSSYSA-N 0 1 375.166 1.633 20 5 GDBDMN C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)CN1 ZINC000156207795 531204390 /nfs/dbraw/zinc/20/43/90/531204390.db2.gz PWPWOAXTBAHUMJ-RKDXNWHRSA-N 0 1 378.248 1.728 20 5 GDBDMN CC(C)N1CC[C@@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1=O ZINC000290679352 531248616 /nfs/dbraw/zinc/24/86/16/531248616.db2.gz GYQDLRDLSUKJJS-SNVBAGLBSA-N 0 1 379.797 1.675 20 5 GDBDMN CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000475794651 531304214 /nfs/dbraw/zinc/30/42/14/531304214.db2.gz VVHKRPOWBITTPA-UHFFFAOYSA-N 0 1 389.386 1.443 20 5 GDBDMN O=C([C@@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1)N1CCNCC1 ZINC000581778033 531515794 /nfs/dbraw/zinc/51/57/94/531515794.db2.gz IOSXREQYEJJGMU-LLVKDONJSA-N 0 1 398.261 1.401 20 5 GDBDMN C[NH+](C)C[C@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000281092457 531577408 /nfs/dbraw/zinc/57/74/08/531577408.db2.gz DHAVQXVZDXIFDF-GFCCVEGCSA-N 0 1 386.257 1.493 20 5 GDBDMN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000590551493 531689311 /nfs/dbraw/zinc/68/93/11/531689311.db2.gz YKUYPPWQVDOUIC-YPMHNXCESA-N 0 1 398.257 1.947 20 5 GDBDMN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN(C)CCN1C ZINC000283262388 531845787 /nfs/dbraw/zinc/84/57/87/531845787.db2.gz ACOBNBZYASFMMS-GFCCVEGCSA-N 0 1 385.262 1.641 20 5 GDBDMN CC(C)[C@@H]1CNCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000599102442 532006166 /nfs/dbraw/zinc/00/61/66/532006166.db2.gz MPLPRWSDZHTQOA-LBPRGKRZSA-N 0 1 392.275 1.976 20 5 GDBDMN C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[C@@H]1N1CCN(C)CC1 ZINC000371251852 532015064 /nfs/dbraw/zinc/01/50/64/532015064.db2.gz QPKZUNNCUSYFCA-STQMWFEESA-N 0 1 388.515 1.303 20 5 GDBDMN Cc1nc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)n[nH]1 ZINC000285331741 532068657 /nfs/dbraw/zinc/06/86/57/532068657.db2.gz JTRHNNBTHUYCEA-ZCFIWIBFSA-N 0 1 390.219 1.823 20 5 GDBDMN COC(=O)[C@H](CC(F)(F)F)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000274205943 532194008 /nfs/dbraw/zinc/19/40/08/532194008.db2.gz PALHBZRMNDHYEW-JTQLQIEISA-N 0 1 384.332 1.551 20 5 GDBDMN COCCOCCOCCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000274431158 532210289 /nfs/dbraw/zinc/21/02/89/532210289.db2.gz RYZTWKNNBCITEH-UHFFFAOYSA-N 0 1 380.394 1.082 20 5 GDBDMN O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000430147617 532243206 /nfs/dbraw/zinc/24/32/06/532243206.db2.gz PFNVZPKURKRSND-JTQLQIEISA-N 0 1 383.202 1.661 20 5 GDBDMN CS[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1N1CCCC1 ZINC000275452355 532295703 /nfs/dbraw/zinc/29/57/03/532295703.db2.gz IUZYZBLBAOPTGF-KGLIPLIRSA-N 0 1 389.474 1.934 20 5 GDBDMN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N[C@H](C1CC1)C(F)(F)F)OCCO2 ZINC000288612371 532299415 /nfs/dbraw/zinc/29/94/15/532299415.db2.gz LGROWTUJGLMGQM-GFCCVEGCSA-N 0 1 382.316 1.985 20 5 GDBDMN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)C1=O ZINC000818085011 597044296 /nfs/dbraw/zinc/04/42/96/597044296.db2.gz ISWVAVYWYYRZKC-XIKOKIGWSA-N 0 1 390.396 1.506 20 5 GDBDMN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)C1=O ZINC000818085011 597044299 /nfs/dbraw/zinc/04/42/99/597044299.db2.gz ISWVAVYWYYRZKC-XIKOKIGWSA-N 0 1 390.396 1.506 20 5 GDBDMN O=C([O-])C[C@@H]1CCCC[N@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000739640161 599839260 /nfs/dbraw/zinc/83/92/60/599839260.db2.gz RIKJFDGDPZRSCU-LBPRGKRZSA-N 0 1 376.369 1.650 20 5 GDBDMN C[C@H](NC(=O)c1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657439 600431928 /nfs/dbraw/zinc/43/19/28/600431928.db2.gz SCGLIMDUHYTJAF-GXTWGEPZSA-N 0 1 376.413 1.472 20 5 GDBDMN Cc1[nH+]ccn1CCCNc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000833010107 600815431 /nfs/dbraw/zinc/81/54/31/600815431.db2.gz DXHJVKURCTUIQI-NSHDSACASA-N 0 1 375.385 1.805 20 5 GDBDMN CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000827703915 601686619 /nfs/dbraw/zinc/68/66/19/601686619.db2.gz UKXPEVHWZUXKCZ-TYNCELHUSA-N 0 1 378.429 1.938 20 5 GDBDMN C[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000828020348 601948487 /nfs/dbraw/zinc/94/84/87/601948487.db2.gz OHUSTXOFGQQMJS-SFHVURJKSA-N 0 1 376.413 1.040 20 5 GDBDMN O=C([O-])C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCC1 ZINC000833247078 602334599 /nfs/dbraw/zinc/33/45/99/602334599.db2.gz ATKXSMFHDHTVGE-UHFFFAOYSA-N 0 1 390.440 1.573 20 5 GDBDMN O=C([O-])C[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCC1 ZINC000833247078 602334601 /nfs/dbraw/zinc/33/46/01/602334601.db2.gz ATKXSMFHDHTVGE-UHFFFAOYSA-N 0 1 390.440 1.573 20 5 GDBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc3c(c2)OCO3)c1-c1nn[nH]n1 ZINC000826500211 607573098 /nfs/dbraw/zinc/57/30/98/607573098.db2.gz OMVUZNQYRCQVPS-UHFFFAOYSA-N 0 1 391.321 1.271 20 5 GDBDMN C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCN1CCN(C(=O)[O-])CC1 ZINC000739664402 602872718 /nfs/dbraw/zinc/87/27/18/602872718.db2.gz RDEIVAYYPNNCPG-UHFFFAOYSA-N 0 1 379.417 1.151 20 5 GDBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCC2(O)CCCCCC2)c1-c1nn[nH]n1 ZINC000826500096 607631580 /nfs/dbraw/zinc/63/15/80/607631580.db2.gz KVRPNVFBDBBSPD-UHFFFAOYSA-N 0 1 396.429 1.139 20 5 GDBDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000833628228 605198785 /nfs/dbraw/zinc/19/87/85/605198785.db2.gz DQEUPJFWJGDDJQ-LLVKDONJSA-N 0 1 384.820 1.668 20 5 GDBDMN O=C([O-])N[C@@H]1CCC[C@H]2C[N@H+](Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000834177479 605325737 /nfs/dbraw/zinc/32/57/37/605325737.db2.gz BXPNBWIUPOFXMH-CYZMBNFOSA-N 0 1 376.369 1.828 20 5 GDBDMN O=C([O-])N[C@@H]1CCC[C@H]2C[N@@H+](Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000834177479 605325743 /nfs/dbraw/zinc/32/57/43/605325743.db2.gz BXPNBWIUPOFXMH-CYZMBNFOSA-N 0 1 376.369 1.828 20 5 GDBDMN O=C([O-])N1CC[NH+](CCCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000834012876 605415113 /nfs/dbraw/zinc/41/51/13/605415113.db2.gz KGTJUBXPASSNFV-UHFFFAOYSA-N 0 1 389.412 1.421 20 5 GDBDMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000833834162 605910372 /nfs/dbraw/zinc/91/03/72/605910372.db2.gz MTVXPUZQFMJHBX-VXGBXAGGSA-N 0 1 378.385 1.871 20 5 GDBDMN O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000823635022 606640406 /nfs/dbraw/zinc/64/04/06/606640406.db2.gz PVHHVMYXBBHNLS-GXTWGEPZSA-N 0 1 376.398 1.021 20 5 GDBDMN O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000823635022 606640407 /nfs/dbraw/zinc/64/04/07/606640407.db2.gz PVHHVMYXBBHNLS-GXTWGEPZSA-N 0 1 376.398 1.021 20 5 GDBDMN C[C@@H]1CCC[C@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000820696709 606734125 /nfs/dbraw/zinc/73/41/25/606734125.db2.gz BHPGODAOFDJGNZ-MNOVXSKESA-N 0 1 380.430 1.974 20 5 GDBDMN CC(C)[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCS1 ZINC000820044236 606735795 /nfs/dbraw/zinc/73/57/95/606735795.db2.gz DSQOZLFOVLQYJO-LLVKDONJSA-N 0 1 398.470 1.537 20 5 GDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826470231 609154609 /nfs/dbraw/zinc/15/46/09/609154609.db2.gz IVJLFGVNANBXNT-UHFFFAOYSA-N 0 1 395.379 1.443 20 5 GDBDMN CCc1cnccc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825739995 609448272 /nfs/dbraw/zinc/44/82/72/609448272.db2.gz MUBAZBCVDASHCW-UHFFFAOYSA-N 0 1 389.397 1.211 20 5 GDBDMN CCn1cc(S(=O)(=O)N(CCN(C)C)Cc2cccs2)c([N+](=O)[O-])n1 ZINC000533634792 650211514 /nfs/dbraw/zinc/21/15/14/650211514.db2.gz QFODRNKNIXCCDQ-UHFFFAOYSA-N 0 1 387.487 1.625 20 5 GDBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](O)CN1CCCCC1 ZINC000158930023 644838710 /nfs/dbraw/zinc/83/87/10/644838710.db2.gz CZLFZMZFDXGLBX-GFCCVEGCSA-N 0 1 391.877 1.682 20 5 GDBDMN Cc1cc(Cl)c(S(=O)(=O)NCCCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000158994501 644839541 /nfs/dbraw/zinc/83/95/41/644839541.db2.gz IIXDUJOJYKIRNK-UHFFFAOYSA-N 0 1 391.877 1.682 20 5 GDBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)c1nnc[nH]1 ZINC000176745036 644913220 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