smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Sc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC000301447419 970932845 /nfs/dbraw/zinc/93/28/45/970932845.db2.gz RNACECLKLAMIDY-LBPRGKRZSA-N 1 2 402.455 3.792 20 5 HHBDLO C[N@@H+]1CCC[C@@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301917828 971115526 /nfs/dbraw/zinc/11/55/26/971115526.db2.gz AYGHGVQXOFELDC-XHDPSFHLSA-N 1 2 415.562 3.616 20 5 HHBDLO C[N@H+]1CCC[C@@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301917828 971115531 /nfs/dbraw/zinc/11/55/31/971115531.db2.gz AYGHGVQXOFELDC-XHDPSFHLSA-N 1 2 415.562 3.616 20 5 HHBDLO C[C@@H]1C[C@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000301935783 971123753 /nfs/dbraw/zinc/12/37/53/971123753.db2.gz PNFRNXWJKMZHKB-UKRRQHHQSA-N 1 2 409.533 3.525 20 5 HHBDLO C[C@@H]1C[C@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000301935783 971123755 /nfs/dbraw/zinc/12/37/55/971123755.db2.gz PNFRNXWJKMZHKB-UKRRQHHQSA-N 1 2 409.533 3.525 20 5 HHBDLO CC[N@@H+]1CC[C@@H](Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000302063141 971166187 /nfs/dbraw/zinc/16/61/87/971166187.db2.gz AEGPWXASDFFGDR-APWZRJJASA-N 1 2 422.407 3.619 20 5 HHBDLO CC[N@H+]1CC[C@@H](Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000302063141 971166190 /nfs/dbraw/zinc/16/61/90/971166190.db2.gz AEGPWXASDFFGDR-APWZRJJASA-N 1 2 422.407 3.619 20 5 HHBDLO O=C(C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2OC(F)F)CC1)Nc1ccccc1 ZINC000302065153 971166834 /nfs/dbraw/zinc/16/68/34/971166834.db2.gz VQVKVWIWTPLOHN-UHFFFAOYSA-N 1 2 420.416 3.711 20 5 HHBDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537625713 1013174121 /nfs/dbraw/zinc/17/41/21/1013174121.db2.gz RJUJPKJKZVDHBH-RYUDHWBXSA-N 1 2 400.884 3.762 20 5 HHBDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537625713 1013174131 /nfs/dbraw/zinc/17/41/31/1013174131.db2.gz RJUJPKJKZVDHBH-RYUDHWBXSA-N 1 2 400.884 3.762 20 5 HHBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000016237450 962987707 /nfs/dbraw/zinc/98/77/07/962987707.db2.gz MVGRKAKZQRNCIG-UHFFFAOYSA-N 1 2 408.483 3.791 20 5 HHBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000016237450 962987712 /nfs/dbraw/zinc/98/77/12/962987712.db2.gz MVGRKAKZQRNCIG-UHFFFAOYSA-N 1 2 408.483 3.791 20 5 HHBDLO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000016638450 963079616 /nfs/dbraw/zinc/07/96/16/963079616.db2.gz QQRFFZOUWOQKMY-UHFFFAOYSA-N 1 2 403.442 3.696 20 5 HHBDLO CCOc1cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c([N+](=O)[O-])cc1OC ZINC000022290053 963625391 /nfs/dbraw/zinc/62/53/91/963625391.db2.gz URSCXLXLUBVJQJ-UHFFFAOYSA-N 1 2 420.491 3.697 20 5 HHBDLO Cc1csc(Sc2ccc(C(=O)NCCCCn3cc[nH+]c3)cc2[N+](=O)[O-])n1 ZINC000050001499 964236091 /nfs/dbraw/zinc/23/60/91/964236091.db2.gz XLOJEBBOQWAJKY-UHFFFAOYSA-N 1 2 417.516 3.918 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000050231493 964291164 /nfs/dbraw/zinc/29/11/64/964291164.db2.gz KZIMXIHERALHQX-SFHVURJKSA-N 1 2 401.438 3.662 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000050231493 964291175 /nfs/dbraw/zinc/29/11/75/964291175.db2.gz KZIMXIHERALHQX-SFHVURJKSA-N 1 2 401.438 3.662 20 5 HHBDLO O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000542565965 1013507486 /nfs/dbraw/zinc/50/74/86/1013507486.db2.gz OCWGCIHACSVCBV-FXAWDEMLSA-N 1 2 410.405 3.570 20 5 HHBDLO CCOc1cc(C[N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])ccc1OC(F)F ZINC000026454269 964569685 /nfs/dbraw/zinc/56/96/85/964569685.db2.gz KZTGYCBTBLBLCA-UHFFFAOYSA-N 1 2 423.416 3.974 20 5 HHBDLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])ccc1OC(F)F ZINC000026454269 964569694 /nfs/dbraw/zinc/56/96/94/964569694.db2.gz KZTGYCBTBLBLCA-UHFFFAOYSA-N 1 2 423.416 3.974 20 5 HHBDLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2)c(C)c1 ZINC000026643676 964632070 /nfs/dbraw/zinc/63/20/70/964632070.db2.gz MLGGRLVGWWKJFI-UHFFFAOYSA-N 1 2 421.497 3.696 20 5 HHBDLO Cc1c(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000028677660 965156646 /nfs/dbraw/zinc/15/66/46/965156646.db2.gz RPSFIJYAQFJIQG-NSHDSACASA-N 1 2 419.463 3.752 20 5 HHBDLO Cc1c(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000028677660 965156650 /nfs/dbraw/zinc/15/66/50/965156650.db2.gz RPSFIJYAQFJIQG-NSHDSACASA-N 1 2 419.463 3.752 20 5 HHBDLO Cc1c(NC(=O)CC[NH2+][C@H](C)c2nc(Cc3ccccc3)no2)cccc1[N+](=O)[O-] ZINC000542622471 1013558304 /nfs/dbraw/zinc/55/83/04/1013558304.db2.gz MGLJBTCTCJHCOU-OAHLLOKOSA-N 1 2 409.446 3.556 20 5 HHBDLO CC(C)OC(=O)C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1[N+](=O)[O-] ZINC000030563104 965730727 /nfs/dbraw/zinc/73/07/27/965730727.db2.gz MEOPHUUTJDDGHB-IBGZPJMESA-N 1 2 422.441 3.593 20 5 HHBDLO CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1[N+](=O)[O-] ZINC000030563102 965730943 /nfs/dbraw/zinc/73/09/43/965730943.db2.gz MEOPHUUTJDDGHB-LJQANCHMSA-N 1 2 422.441 3.593 20 5 HHBDLO CN(CCCOc1cccc(Cl)c1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055871270 966112234 /nfs/dbraw/zinc/11/22/34/966112234.db2.gz HWGGBEMMNZYKNU-UHFFFAOYSA-N 1 2 414.849 3.975 20 5 HHBDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000060442235 966145136 /nfs/dbraw/zinc/14/51/36/966145136.db2.gz DLOCGILPQCWJSB-UHFFFAOYSA-N 1 2 408.458 3.923 20 5 HHBDLO COc1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000031895389 966148015 /nfs/dbraw/zinc/14/80/15/966148015.db2.gz POYSBKGPZOXGJY-QGZVFWFLSA-N 1 2 421.856 3.963 20 5 HHBDLO CCOc1ccc([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1OC ZINC000032243495 966205166 /nfs/dbraw/zinc/20/51/66/966205166.db2.gz JTAFSNJVJLBZMP-AWEZNQCLSA-N 1 2 410.430 3.679 20 5 HHBDLO O=C(C[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000063512490 966880199 /nfs/dbraw/zinc/88/01/99/966880199.db2.gz FUKAYTVLIAYIKI-OAQYLSRUSA-N 1 2 404.426 3.503 20 5 HHBDLO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000064482353 967208948 /nfs/dbraw/zinc/20/89/48/967208948.db2.gz BLJBLSGWTCLFDD-UHFFFAOYSA-N 1 2 403.866 3.605 20 5 HHBDLO COc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000064482353 967208953 /nfs/dbraw/zinc/20/89/53/967208953.db2.gz BLJBLSGWTCLFDD-UHFFFAOYSA-N 1 2 403.866 3.605 20 5 HHBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000064725336 967276084 /nfs/dbraw/zinc/27/60/84/967276084.db2.gz VKJLFBGVPTWQRO-CQSZACIVSA-N 1 2 418.881 3.717 20 5 HHBDLO CCOC(=O)c1sc2nc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)nc(N)c2c1C ZINC000538180365 1013738924 /nfs/dbraw/zinc/73/89/24/1013738924.db2.gz NZGDVLRFSJFZIH-NSHDSACASA-N 1 2 415.475 3.518 20 5 HHBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000046341745 967752189 /nfs/dbraw/zinc/75/21/89/967752189.db2.gz NGWNJEBMAWWYOO-HZPDHXFCSA-N 1 2 415.515 3.935 20 5 HHBDLO O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000046817275 967978650 /nfs/dbraw/zinc/97/86/50/967978650.db2.gz CXQLVHZFZWFALN-UHFFFAOYSA-N 1 2 408.311 3.868 20 5 HHBDLO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)nc2c1 ZINC000538278891 1013817097 /nfs/dbraw/zinc/81/70/97/1013817097.db2.gz DUNONXLOOXDZII-CYBMUJFWSA-N 1 2 403.460 3.689 20 5 HHBDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c(OC)c1 ZINC000106042920 969284256 /nfs/dbraw/zinc/28/42/56/969284256.db2.gz PVGDMKFAMHGZKE-GOSISDBHSA-N 1 2 410.430 3.999 20 5 HHBDLO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c(OC)c1 ZINC000106042920 969284263 /nfs/dbraw/zinc/28/42/63/969284263.db2.gz PVGDMKFAMHGZKE-GOSISDBHSA-N 1 2 410.430 3.999 20 5 HHBDLO CN(C)C(=O)Sc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000111012067 969760191 /nfs/dbraw/zinc/76/01/91/969760191.db2.gz SHCRXOSAVGKQSO-UHFFFAOYSA-N 1 2 411.443 3.807 20 5 HHBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000216857563 970081680 /nfs/dbraw/zinc/08/16/80/970081680.db2.gz VIXQMDWMHJUSOO-INIZCTEOSA-N 1 2 415.515 3.601 20 5 HHBDLO O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000145049035 970250463 /nfs/dbraw/zinc/25/04/63/970250463.db2.gz FHBSZDMRVQUAQD-RXVVDRJESA-N 1 2 406.442 3.678 20 5 HHBDLO O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000145048767 970250747 /nfs/dbraw/zinc/25/07/47/970250747.db2.gz FHBSZDMRVQUAQD-GHTZIAJQSA-N 1 2 406.442 3.678 20 5 HHBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000410254029 973763481 /nfs/dbraw/zinc/76/34/81/973763481.db2.gz DUCAVOOGYKELHX-CQSZACIVSA-N 1 2 400.504 3.869 20 5 HHBDLO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410255378 973763632 /nfs/dbraw/zinc/76/36/32/973763632.db2.gz XDAKLYOCOOWRRJ-GOSISDBHSA-N 1 2 423.517 3.748 20 5 HHBDLO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410269908 973784576 /nfs/dbraw/zinc/78/45/76/973784576.db2.gz PVTFMXONQDGMOE-HNNXBMFYSA-N 1 2 405.458 3.696 20 5 HHBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410287651 973815580 /nfs/dbraw/zinc/81/55/80/973815580.db2.gz JSRAPKARZSUZSB-HNNXBMFYSA-N 1 2 407.474 3.558 20 5 HHBDLO COc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000425985556 974096894 /nfs/dbraw/zinc/09/68/94/974096894.db2.gz RLRWGFPLKUEEAW-NQIIRXRSSA-N 1 2 421.457 3.528 20 5 HHBDLO O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000426140283 974260668 /nfs/dbraw/zinc/26/06/68/974260668.db2.gz YCSMTOZJLULOSI-UHFFFAOYSA-N 1 2 406.442 3.848 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000427109616 974910806 /nfs/dbraw/zinc/91/08/06/974910806.db2.gz HWBVJVXSFKCUEB-UHFFFAOYSA-N 1 2 424.482 3.871 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000427109616 974910808 /nfs/dbraw/zinc/91/08/08/974910808.db2.gz HWBVJVXSFKCUEB-UHFFFAOYSA-N 1 2 424.482 3.871 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000427748971 975266387 /nfs/dbraw/zinc/26/63/87/975266387.db2.gz QSDGBDHRMWGCGC-UHFFFAOYSA-N 1 2 424.432 3.741 20 5 HHBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000430423038 977536104 /nfs/dbraw/zinc/53/61/04/977536104.db2.gz JJKVBKFNPFWTBY-UHFFFAOYSA-N 1 2 422.435 3.765 20 5 HHBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000430499853 977601827 /nfs/dbraw/zinc/60/18/27/977601827.db2.gz CZOMRPOBJHRECN-UHFFFAOYSA-N 1 2 416.525 3.852 20 5 HHBDLO C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@@](=O)C1 ZINC000433030960 979047311 /nfs/dbraw/zinc/04/73/11/979047311.db2.gz LZNPGWYRQNNYIY-NOVUIFNWSA-N 1 2 424.526 3.648 20 5 HHBDLO C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@@](=O)C1 ZINC000433030960 979047317 /nfs/dbraw/zinc/04/73/17/979047317.db2.gz LZNPGWYRQNNYIY-NOVUIFNWSA-N 1 2 424.526 3.648 20 5 HHBDLO CC(C)(NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000433134466 979091487 /nfs/dbraw/zinc/09/14/87/979091487.db2.gz KSSPLUHQOWHZFG-UHFFFAOYSA-N 1 2 409.446 3.927 20 5 HHBDLO COc1cccc(OC)c1OC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000434832747 980430236 /nfs/dbraw/zinc/43/02/36/980430236.db2.gz GPCXREJSNDQDPL-UHFFFAOYSA-N 1 2 413.430 3.797 20 5 HHBDLO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436893096 981603330 /nfs/dbraw/zinc/60/33/30/981603330.db2.gz NQPUZKRGOZNJJB-KPZWWZAWSA-N 1 2 407.829 3.516 20 5 HHBDLO C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436893096 981603337 /nfs/dbraw/zinc/60/33/37/981603337.db2.gz NQPUZKRGOZNJJB-KPZWWZAWSA-N 1 2 407.829 3.516 20 5 HHBDLO Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)[C@@H](C)CO2)c1 ZINC000460557968 982343923 /nfs/dbraw/zinc/34/39/23/982343923.db2.gz YNRGNBSHPIAJME-JTSKRJEESA-N 1 2 420.469 4.000 20 5 HHBDLO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000439464440 983421970 /nfs/dbraw/zinc/42/19/70/983421970.db2.gz DAOVUJGFBSWATN-RNODOKPDSA-N 1 2 423.897 3.631 20 5 HHBDLO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000439464440 983421972 /nfs/dbraw/zinc/42/19/72/983421972.db2.gz DAOVUJGFBSWATN-RNODOKPDSA-N 1 2 423.897 3.631 20 5 HHBDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000439800036 983543840 /nfs/dbraw/zinc/54/38/40/983543840.db2.gz HWMLHRPKSRRFOQ-BTYIYWSLSA-N 1 2 414.481 3.810 20 5 HHBDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000439800036 983543841 /nfs/dbraw/zinc/54/38/41/983543841.db2.gz HWMLHRPKSRRFOQ-BTYIYWSLSA-N 1 2 414.481 3.810 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000439926013 983584751 /nfs/dbraw/zinc/58/47/51/983584751.db2.gz HLFXUIAXBYUPNY-QFBILLFUSA-N 1 2 420.416 3.839 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000439926013 983584753 /nfs/dbraw/zinc/58/47/53/983584753.db2.gz HLFXUIAXBYUPNY-QFBILLFUSA-N 1 2 420.416 3.839 20 5 HHBDLO C[NH+](C)[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000462469805 985427640 /nfs/dbraw/zinc/42/76/40/985427640.db2.gz RXSIJHPGQYPFDR-GFCCVEGCSA-N 1 2 424.331 3.544 20 5 HHBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000462608628 985552530 /nfs/dbraw/zinc/55/25/30/985552530.db2.gz ZGIAVDADYPWNRE-FQEVSTJZSA-N 1 2 411.502 3.943 20 5 HHBDLO C[C@@H](NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000443551002 985722762 /nfs/dbraw/zinc/72/27/62/985722762.db2.gz QEKMPQBQOASERS-CQSZACIVSA-N 1 2 402.882 3.667 20 5 HHBDLO C[C@@H](NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000443551002 985722772 /nfs/dbraw/zinc/72/27/72/985722772.db2.gz QEKMPQBQOASERS-CQSZACIVSA-N 1 2 402.882 3.667 20 5 HHBDLO CNc1c(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cccc1[N+](=O)[O-] ZINC000462900321 985828763 /nfs/dbraw/zinc/82/87/63/985828763.db2.gz APMSMIYWJDCSMH-UHFFFAOYSA-N 1 2 423.498 3.904 20 5 HHBDLO CNc1c(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cccc1[N+](=O)[O-] ZINC000462900321 985828789 /nfs/dbraw/zinc/82/87/89/985828789.db2.gz APMSMIYWJDCSMH-UHFFFAOYSA-N 1 2 423.498 3.904 20 5 HHBDLO Cc1cc(C(F)(F)F)ccc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000443649671 985845330 /nfs/dbraw/zinc/84/53/30/985845330.db2.gz CDPSWEDLWZTRIY-UHFFFAOYSA-N 1 2 407.392 3.880 20 5 HHBDLO CCc1c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000468187069 985870593 /nfs/dbraw/zinc/87/05/93/985870593.db2.gz MEFKKOIMSVDQMC-UHFFFAOYSA-N 1 2 402.414 3.781 20 5 HHBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000463166838 986138583 /nfs/dbraw/zinc/13/85/83/986138583.db2.gz CWQAYCLCQRJLKY-MRXNPFEDSA-N 1 2 402.520 3.754 20 5 HHBDLO CCO[C@H](C)c1nc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cs1 ZINC000444233130 986419961 /nfs/dbraw/zinc/41/99/61/986419961.db2.gz BEMMCDQQDKLYRD-CQSZACIVSA-N 1 2 406.508 3.918 20 5 HHBDLO CCO[C@H](C)c1nc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cs1 ZINC000444233130 986419966 /nfs/dbraw/zinc/41/99/66/986419966.db2.gz BEMMCDQQDKLYRD-CQSZACIVSA-N 1 2 406.508 3.918 20 5 HHBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444289047 986476163 /nfs/dbraw/zinc/47/61/63/986476163.db2.gz MPFZPXCBXAHNCC-UHFFFAOYSA-N 1 2 412.424 3.936 20 5 HHBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000444666391 986849656 /nfs/dbraw/zinc/84/96/56/986849656.db2.gz SHKZALZVXWOGAT-CYBMUJFWSA-N 1 2 422.435 3.713 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000469450599 987136845 /nfs/dbraw/zinc/13/68/45/987136845.db2.gz RHBKRVOQHLSJIF-UHFFFAOYSA-N 1 2 419.428 3.775 20 5 HHBDLO CCOc1cc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1OCC ZINC000469715400 987369977 /nfs/dbraw/zinc/36/99/77/987369977.db2.gz NCSLZYYUBXPHSZ-PBHICJAKSA-N 1 2 417.466 3.704 20 5 HHBDLO COc1cc(Cc2noc(CCc3[nH]c4c(cccc4C)[nH+]3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445824734 987892840 /nfs/dbraw/zinc/89/28/40/987892840.db2.gz OKAXQSANPKDMTB-UHFFFAOYSA-N 1 2 423.429 3.556 20 5 HHBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000470170254 988085579 /nfs/dbraw/zinc/08/55/79/988085579.db2.gz RCKKEEMNNGFTDN-GHRIWEEISA-N 1 2 404.470 3.937 20 5 HHBDLO COc1cc(C(=O)N2CC[NH+](C/C(C)=C\c3cccc([N+](=O)[O-])c3)CC2)ccc1C ZINC000470174345 988090513 /nfs/dbraw/zinc/09/05/13/988090513.db2.gz KEMIKOYAGCWWNJ-LGMDPLHJSA-N 1 2 409.486 3.773 20 5 HHBDLO COc1cc(C(=O)N2CC[NH+](C/C(C)=C/c3cccc([N+](=O)[O-])c3)CC2)ccc1C ZINC000470174344 988090987 /nfs/dbraw/zinc/09/09/87/988090987.db2.gz KEMIKOYAGCWWNJ-GHRIWEEISA-N 1 2 409.486 3.773 20 5 HHBDLO CCc1ccccc1NC(=O)CN1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470178982 988095339 /nfs/dbraw/zinc/09/53/39/988095339.db2.gz QOCNPTQXYTZNME-CYVLTUHYSA-N 1 2 422.529 3.817 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](OCc4ccccc4F)C3)o2)cc1 ZINC000470903180 988977805 /nfs/dbraw/zinc/97/78/05/988977805.db2.gz FCQRVVXFTIRWHK-SFHVURJKSA-N 1 2 412.421 3.965 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](OCc4ccccc4F)C3)o2)cc1 ZINC000470903180 988977808 /nfs/dbraw/zinc/97/78/08/988977808.db2.gz FCQRVVXFTIRWHK-SFHVURJKSA-N 1 2 412.421 3.965 20 5 HHBDLO O=C(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1OC(F)F ZINC000464784021 989013252 /nfs/dbraw/zinc/01/32/52/989013252.db2.gz BHJVDUWMCNBWCR-UHFFFAOYSA-N 1 2 421.400 3.678 20 5 HHBDLO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)o1 ZINC000464836497 989079252 /nfs/dbraw/zinc/07/92/52/989079252.db2.gz SDPKSFHPJMZLMG-LRDDRELGSA-N 1 2 401.419 3.637 20 5 HHBDLO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)o1 ZINC000464836497 989079258 /nfs/dbraw/zinc/07/92/58/989079258.db2.gz SDPKSFHPJMZLMG-LRDDRELGSA-N 1 2 401.419 3.637 20 5 HHBDLO Cc1ccc(-c2nc(CNC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)co2)cc1 ZINC000465182386 989517767 /nfs/dbraw/zinc/51/77/67/989517767.db2.gz FXKXSVXQKHISOE-UHFFFAOYSA-N 1 2 403.398 3.674 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000472467008 993469559 /nfs/dbraw/zinc/46/95/59/993469559.db2.gz XWFBKJRMJSZRQE-UHFFFAOYSA-N 1 2 418.397 3.539 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000472467008 993469560 /nfs/dbraw/zinc/46/95/60/993469560.db2.gz XWFBKJRMJSZRQE-UHFFFAOYSA-N 1 2 418.397 3.539 20 5 HHBDLO CCn1c(NCc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)[nH+]c2cc(Cl)ccc21 ZINC000473479892 994324459 /nfs/dbraw/zinc/32/44/59/994324459.db2.gz DDFLYVYNOLTGNX-UHFFFAOYSA-N 1 2 418.837 3.782 20 5 HHBDLO COC(=O)COc1ccc(C[N@@H+]2CCSC[C@H]2c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000475700968 996309328 /nfs/dbraw/zinc/30/93/28/996309328.db2.gz OWSXSELGVFZIFN-IBGZPJMESA-N 1 2 416.499 3.745 20 5 HHBDLO COC(=O)COc1ccc(C[N@H+]2CCSC[C@H]2c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000475700968 996309333 /nfs/dbraw/zinc/30/93/33/996309333.db2.gz OWSXSELGVFZIFN-IBGZPJMESA-N 1 2 416.499 3.745 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484348641 996720046 /nfs/dbraw/zinc/72/00/46/996720046.db2.gz FBMOXROOSAFDJP-NHYWBVRUSA-N 1 2 403.401 3.841 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484348641 996720051 /nfs/dbraw/zinc/72/00/51/996720051.db2.gz FBMOXROOSAFDJP-NHYWBVRUSA-N 1 2 403.401 3.841 20 5 HHBDLO Cc1c(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000485226131 997601011 /nfs/dbraw/zinc/60/10/11/997601011.db2.gz WRKGMKZYIFJHTE-UHFFFAOYSA-N 1 2 404.430 3.792 20 5 HHBDLO CSc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000485516780 997973087 /nfs/dbraw/zinc/97/30/87/997973087.db2.gz KDTQZWXQSXVPLT-RDJZCZTQSA-N 1 2 407.442 3.770 20 5 HHBDLO CSc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000485516780 997973102 /nfs/dbraw/zinc/97/31/02/997973102.db2.gz KDTQZWXQSXVPLT-RDJZCZTQSA-N 1 2 407.442 3.770 20 5 HHBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000485987281 998429268 /nfs/dbraw/zinc/42/92/68/998429268.db2.gz GOIDTGNUBYDYPS-UHFFFAOYSA-N 1 2 400.435 3.962 20 5 HHBDLO CSc1cccc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000486228650 998662888 /nfs/dbraw/zinc/66/28/88/998662888.db2.gz JEOSCURANCEUBD-CQSZACIVSA-N 1 2 401.488 3.962 20 5 HHBDLO CCc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CCC2 ZINC000478052467 998737604 /nfs/dbraw/zinc/73/76/04/998737604.db2.gz GDFFIYUHEBAKAH-HNNXBMFYSA-N 1 2 404.492 3.570 20 5 HHBDLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CCC2 ZINC000478052467 998737606 /nfs/dbraw/zinc/73/76/06/998737606.db2.gz GDFFIYUHEBAKAH-HNNXBMFYSA-N 1 2 404.492 3.570 20 5 HHBDLO CCc1nc2c(s1)[C@H]([N@H+](C)CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000478065774 998744995 /nfs/dbraw/zinc/74/49/95/998744995.db2.gz XGOVXOYQPDFBTE-MRXNPFEDSA-N 1 2 400.504 3.512 20 5 HHBDLO CCc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000478065774 998744998 /nfs/dbraw/zinc/74/49/98/998744998.db2.gz XGOVXOYQPDFBTE-MRXNPFEDSA-N 1 2 400.504 3.512 20 5 HHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000486688319 998892781 /nfs/dbraw/zinc/89/27/81/998892781.db2.gz OCXHNZFYMFDXPH-UHFFFAOYSA-N 1 2 408.805 3.872 20 5 HHBDLO C[C@H]1CCCN(c2ccc(C(=O)NC3CCN(c4cccc[nH+]4)CC3)cc2[N+](=O)[O-])C1 ZINC000478776077 999134850 /nfs/dbraw/zinc/13/48/50/999134850.db2.gz LTLPTZCBLYGQCF-KRWDZBQOSA-N 1 2 423.517 3.625 20 5 HHBDLO CC[C@H]1C[N@H+](CCNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CCO1 ZINC000488539932 999522156 /nfs/dbraw/zinc/52/21/56/999522156.db2.gz VBOKRXUEPHOBGT-SFHVURJKSA-N 1 2 414.462 3.619 20 5 HHBDLO CC[C@H]1C[N@@H+](CCNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CCO1 ZINC000488539932 999522162 /nfs/dbraw/zinc/52/21/62/999522162.db2.gz VBOKRXUEPHOBGT-SFHVURJKSA-N 1 2 414.462 3.619 20 5 HHBDLO Cc1c(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000479753797 999573285 /nfs/dbraw/zinc/57/32/85/999573285.db2.gz UBDCMYSGCYKFTP-PKOBYXMFSA-N 1 2 420.872 3.940 20 5 HHBDLO Cc1c(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000479753797 999573290 /nfs/dbraw/zinc/57/32/90/999573290.db2.gz UBDCMYSGCYKFTP-PKOBYXMFSA-N 1 2 420.872 3.940 20 5 HHBDLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488735795 999593097 /nfs/dbraw/zinc/59/30/97/999593097.db2.gz PHQQGHZSJPGJMI-CYBMUJFWSA-N 1 2 416.869 3.817 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000480002562 999682168 /nfs/dbraw/zinc/68/21/68/999682168.db2.gz SQZQIDVBQRKITF-GOSISDBHSA-N 1 2 412.490 3.658 20 5 HHBDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000489326512 999746050 /nfs/dbraw/zinc/74/60/50/999746050.db2.gz KZWZAQMHRJOIAT-AWEZNQCLSA-N 1 2 411.487 3.962 20 5 HHBDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000489326512 999746054 /nfs/dbraw/zinc/74/60/54/999746054.db2.gz KZWZAQMHRJOIAT-AWEZNQCLSA-N 1 2 411.487 3.962 20 5 HHBDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC2)no1 ZINC000480220239 999748776 /nfs/dbraw/zinc/74/87/76/999748776.db2.gz FELSGJMYBMRVEL-INIZCTEOSA-N 1 2 417.510 3.954 20 5 HHBDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC2)no1 ZINC000480220239 999748779 /nfs/dbraw/zinc/74/87/79/999748779.db2.gz FELSGJMYBMRVEL-INIZCTEOSA-N 1 2 417.510 3.954 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489765954 999833824 /nfs/dbraw/zinc/83/38/24/999833824.db2.gz AYCKLOZBEBGBRC-UHFFFAOYSA-N 1 2 409.490 3.854 20 5 HHBDLO COc1cc(OC)c(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1Cl ZINC000490026508 999880490 /nfs/dbraw/zinc/88/04/90/999880490.db2.gz QGFLAAZZXQZXJL-UHFFFAOYSA-N 1 2 419.865 3.869 20 5 HHBDLO COc1cc(OC)c(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1Cl ZINC000490026508 999880492 /nfs/dbraw/zinc/88/04/92/999880492.db2.gz QGFLAAZZXQZXJL-UHFFFAOYSA-N 1 2 419.865 3.869 20 5 HHBDLO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000490027281 999880590 /nfs/dbraw/zinc/88/05/90/999880590.db2.gz QDZNVQZSYJFJRQ-UHFFFAOYSA-N 1 2 424.501 3.680 20 5 HHBDLO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000490027281 999880592 /nfs/dbraw/zinc/88/05/92/999880592.db2.gz QDZNVQZSYJFJRQ-UHFFFAOYSA-N 1 2 424.501 3.680 20 5 HHBDLO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000490112487 999894645 /nfs/dbraw/zinc/89/46/45/999894645.db2.gz NHBIRNGYUMJINQ-UHFFFAOYSA-N 1 2 405.458 3.950 20 5 HHBDLO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000490112487 999894647 /nfs/dbraw/zinc/89/46/47/999894647.db2.gz NHBIRNGYUMJINQ-UHFFFAOYSA-N 1 2 405.458 3.950 20 5 HHBDLO O=C(Nc1nnc(/C=C/c2ccco2)s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000490272278 999926542 /nfs/dbraw/zinc/92/65/42/999926542.db2.gz KYQZSFIWESCZSP-GQCTYLIASA-N 1 2 408.399 3.648 20 5 HHBDLO COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000490723619 999997446 /nfs/dbraw/zinc/99/74/46/999997446.db2.gz NDJHWWSAZZYPIW-LJQANCHMSA-N 1 2 414.849 3.894 20 5 HHBDLO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490828959 1000013021 /nfs/dbraw/zinc/01/30/21/1000013021.db2.gz SGXDTXCHUDAYSY-UHFFFAOYSA-N 1 2 419.428 3.819 20 5 HHBDLO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490828959 1000013023 /nfs/dbraw/zinc/01/30/23/1000013023.db2.gz SGXDTXCHUDAYSY-UHFFFAOYSA-N 1 2 419.428 3.819 20 5 HHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000492697786 1000139797 /nfs/dbraw/zinc/13/97/97/1000139797.db2.gz CEZBYSCDJZPFSF-AWEZNQCLSA-N 1 2 401.488 3.547 20 5 HHBDLO Cc1ccc2[nH+]c(CSCC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cn2c1 ZINC000493061439 1000156035 /nfs/dbraw/zinc/15/60/35/1000156035.db2.gz YCJPPPJNYIMWTO-UHFFFAOYSA-N 1 2 410.499 3.975 20 5 HHBDLO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000494111920 1000313620 /nfs/dbraw/zinc/31/36/20/1000313620.db2.gz PEWDMLHPPVBSGY-MAUKXSAKSA-N 1 2 421.448 3.502 20 5 HHBDLO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000494111920 1000313624 /nfs/dbraw/zinc/31/36/24/1000313624.db2.gz PEWDMLHPPVBSGY-MAUKXSAKSA-N 1 2 421.448 3.502 20 5 HHBDLO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000494111921 1000313805 /nfs/dbraw/zinc/31/38/05/1000313805.db2.gz PEWDMLHPPVBSGY-QAPCUYQASA-N 1 2 421.448 3.502 20 5 HHBDLO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000494111921 1000313808 /nfs/dbraw/zinc/31/38/08/1000313808.db2.gz PEWDMLHPPVBSGY-QAPCUYQASA-N 1 2 421.448 3.502 20 5 HHBDLO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000494135526 1000324637 /nfs/dbraw/zinc/32/46/37/1000324637.db2.gz YMTGPIORWRMOCG-CRAIPNDOSA-N 1 2 421.448 3.673 20 5 HHBDLO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000494135526 1000324643 /nfs/dbraw/zinc/32/46/43/1000324643.db2.gz YMTGPIORWRMOCG-CRAIPNDOSA-N 1 2 421.448 3.673 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494292671 1000416052 /nfs/dbraw/zinc/41/60/52/1000416052.db2.gz IHOFMRPSKKQHFR-UHFFFAOYSA-N 1 2 410.243 3.875 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494292671 1000416058 /nfs/dbraw/zinc/41/60/58/1000416058.db2.gz IHOFMRPSKKQHFR-UHFFFAOYSA-N 1 2 410.243 3.875 20 5 HHBDLO COc1ccc(CC[N@H+](Cc2ccsc2)Cc2c([N+](=O)[O-])ncn2C)cc1OC ZINC000494550678 1000550768 /nfs/dbraw/zinc/55/07/68/1000550768.db2.gz ZQDIHJHAKZSGKS-UHFFFAOYSA-N 1 2 416.503 3.652 20 5 HHBDLO COc1ccc(CC[N@@H+](Cc2ccsc2)Cc2c([N+](=O)[O-])ncn2C)cc1OC ZINC000494550678 1000550771 /nfs/dbraw/zinc/55/07/71/1000550771.db2.gz ZQDIHJHAKZSGKS-UHFFFAOYSA-N 1 2 416.503 3.652 20 5 HHBDLO Cn1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c(-c2ccccc2Cl)n1 ZINC000505565097 1000907748 /nfs/dbraw/zinc/90/77/48/1000907748.db2.gz SDJUCSIEUFMCNA-UHFFFAOYSA-N 1 2 411.893 3.971 20 5 HHBDLO CC[C@]1(O)CC[N@@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000495209963 1000915082 /nfs/dbraw/zinc/91/50/82/1000915082.db2.gz CNYUPHLQFKQCQC-QUCCMNQESA-N 1 2 403.866 3.775 20 5 HHBDLO CC[C@]1(O)CC[N@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000495209963 1000915100 /nfs/dbraw/zinc/91/51/00/1000915100.db2.gz CNYUPHLQFKQCQC-QUCCMNQESA-N 1 2 403.866 3.775 20 5 HHBDLO CC[N@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000505631561 1000944237 /nfs/dbraw/zinc/94/42/37/1000944237.db2.gz DAFXOEJPLDQRHT-CLFYSBASSA-N 1 2 424.457 3.796 20 5 HHBDLO CC[N@@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000505631561 1000944243 /nfs/dbraw/zinc/94/42/43/1000944243.db2.gz DAFXOEJPLDQRHT-CLFYSBASSA-N 1 2 424.457 3.796 20 5 HHBDLO O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505777090 1001018151 /nfs/dbraw/zinc/01/81/51/1001018151.db2.gz MMRRBVDMJAFXJX-HXUWFJFHSA-N 1 2 423.494 3.891 20 5 HHBDLO O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505777090 1001018155 /nfs/dbraw/zinc/01/81/55/1001018155.db2.gz MMRRBVDMJAFXJX-HXUWFJFHSA-N 1 2 423.494 3.891 20 5 HHBDLO CSc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000497488037 1001395608 /nfs/dbraw/zinc/39/56/08/1001395608.db2.gz HVGBWJURIHDILB-YJBOKZPZSA-N 1 2 407.442 3.770 20 5 HHBDLO CSc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000497488037 1001395609 /nfs/dbraw/zinc/39/56/09/1001395609.db2.gz HVGBWJURIHDILB-YJBOKZPZSA-N 1 2 407.442 3.770 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497490214 1001397619 /nfs/dbraw/zinc/39/76/19/1001397619.db2.gz WTSOHQMVIOKCMZ-QUCCMNQESA-N 1 2 416.428 3.623 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497490214 1001397622 /nfs/dbraw/zinc/39/76/22/1001397622.db2.gz WTSOHQMVIOKCMZ-QUCCMNQESA-N 1 2 416.428 3.623 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000497495298 1001401077 /nfs/dbraw/zinc/40/10/77/1001401077.db2.gz XRRFWFCYVKPHDE-TZIWHRDSSA-N 1 2 418.444 3.627 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000497495298 1001401081 /nfs/dbraw/zinc/40/10/81/1001401081.db2.gz XRRFWFCYVKPHDE-TZIWHRDSSA-N 1 2 418.444 3.627 20 5 HHBDLO O=C(c1ccc(F)cc1Cl)N1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000498109052 1001644140 /nfs/dbraw/zinc/64/41/40/1001644140.db2.gz VKICJABIZXPIHK-UHFFFAOYSA-N 1 2 421.856 3.614 20 5 HHBDLO COCCOc1cc2c(cc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)OCO2 ZINC000507168119 1001856556 /nfs/dbraw/zinc/85/65/56/1001856556.db2.gz PLSKAFSXJYNIGB-UHFFFAOYSA-N 1 2 400.431 3.513 20 5 HHBDLO COCCOc1cc2c(cc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)OCO2 ZINC000507168119 1001856573 /nfs/dbraw/zinc/85/65/73/1001856573.db2.gz PLSKAFSXJYNIGB-UHFFFAOYSA-N 1 2 400.431 3.513 20 5 HHBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2nnnn2-c2ccccc2)ccc1Oc1ccc(F)cc1 ZINC000507945078 1002478716 /nfs/dbraw/zinc/47/87/16/1002478716.db2.gz JVOOQPHBBOKKOJ-UHFFFAOYSA-N 1 2 420.404 3.792 20 5 HHBDLO Cc1cccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)n1 ZINC000500726244 1003923493 /nfs/dbraw/zinc/92/34/93/1003923493.db2.gz SPTNJEHKQFJZJT-UHFFFAOYSA-N 1 2 422.510 3.985 20 5 HHBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)C1 ZINC000500897622 1004036971 /nfs/dbraw/zinc/03/69/71/1004036971.db2.gz YYPONFCRKOGLOQ-OAHLLOKOSA-N 1 2 401.448 3.550 20 5 HHBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)C1 ZINC000500897622 1004036981 /nfs/dbraw/zinc/03/69/81/1004036981.db2.gz YYPONFCRKOGLOQ-OAHLLOKOSA-N 1 2 401.448 3.550 20 5 HHBDLO Cc1c(Br)cc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000510046462 1004287331 /nfs/dbraw/zinc/28/73/31/1004287331.db2.gz UILDFXJUDUZHEC-UHFFFAOYSA-N 1 2 415.247 3.781 20 5 HHBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000501295246 1004337033 /nfs/dbraw/zinc/33/70/33/1004337033.db2.gz MBCBMTGVQAZNAL-OAHLLOKOSA-N 1 2 400.504 3.777 20 5 HHBDLO CCNc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000501478835 1004452123 /nfs/dbraw/zinc/45/21/23/1004452123.db2.gz LVHWMBMKDNKQJL-HZPDHXFCSA-N 1 2 412.490 3.888 20 5 HHBDLO NC(=O)N1CCC[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000512652267 1004464082 /nfs/dbraw/zinc/46/40/82/1004464082.db2.gz KUQWYSVTYBQMDB-UHFFFAOYSA-N 1 2 404.854 3.627 20 5 HHBDLO NC(=O)N1CCC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000512652267 1004464087 /nfs/dbraw/zinc/46/40/87/1004464087.db2.gz KUQWYSVTYBQMDB-UHFFFAOYSA-N 1 2 404.854 3.627 20 5 HHBDLO COc1cc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000511234080 1005085116 /nfs/dbraw/zinc/08/51/16/1005085116.db2.gz UFUQIVKHKJEUSU-QGZVFWFLSA-N 1 2 421.856 3.963 20 5 HHBDLO COc1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000502749604 1005200347 /nfs/dbraw/zinc/20/03/47/1005200347.db2.gz TXIJXKDGMJKVGB-UHFFFAOYSA-N 1 2 404.329 3.847 20 5 HHBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513996874 1005220356 /nfs/dbraw/zinc/22/03/56/1005220356.db2.gz MQFNUAPXVZIZEP-JXFKEZNVSA-N 1 2 401.894 3.990 20 5 HHBDLO C[N@@H+]1CC[C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000502853095 1005244605 /nfs/dbraw/zinc/24/46/05/1005244605.db2.gz QRYAZECXHYNVFR-KZULUSFZSA-N 1 2 407.829 3.516 20 5 HHBDLO C[N@H+]1CC[C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000502853095 1005244608 /nfs/dbraw/zinc/24/46/08/1005244608.db2.gz QRYAZECXHYNVFR-KZULUSFZSA-N 1 2 407.829 3.516 20 5 HHBDLO CN(C)[C@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000514099186 1005265002 /nfs/dbraw/zinc/26/50/02/1005265002.db2.gz MAHVIXRDXPOQQS-UXHICEINSA-N 1 2 413.909 3.964 20 5 HHBDLO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000515410872 1006449112 /nfs/dbraw/zinc/44/91/12/1006449112.db2.gz GOMRYIHVEQCWNZ-LJQANCHMSA-N 1 2 422.529 3.544 20 5 HHBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cn(-c2ccccc2)nn1 ZINC000531859021 1006480959 /nfs/dbraw/zinc/48/09/59/1006480959.db2.gz VQEMDAXIXJJGKI-OLZOCXBDSA-N 1 2 414.853 3.507 20 5 HHBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000532589207 1007026758 /nfs/dbraw/zinc/02/67/58/1007026758.db2.gz NKFIGGJECRPAOA-SMDDNHRTSA-N 1 2 400.357 3.749 20 5 HHBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000532589207 1007026771 /nfs/dbraw/zinc/02/67/71/1007026771.db2.gz NKFIGGJECRPAOA-SMDDNHRTSA-N 1 2 400.357 3.749 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3cccc4c3OCCO4)n2)cc1 ZINC000533262720 1007578278 /nfs/dbraw/zinc/57/82/78/1007578278.db2.gz NMIGUJANMFQNOX-KRWDZBQOSA-N 1 2 408.414 3.753 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3cccc4c3OCCO4)n2)cc1 ZINC000533262720 1007578280 /nfs/dbraw/zinc/57/82/80/1007578280.db2.gz NMIGUJANMFQNOX-KRWDZBQOSA-N 1 2 408.414 3.753 20 5 HHBDLO CCCCNC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000517494894 1007718071 /nfs/dbraw/zinc/71/80/71/1007718071.db2.gz DWAXQHHTHGFRPI-UHFFFAOYSA-N 1 2 402.520 3.951 20 5 HHBDLO Cc1cc(C)c(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000535750253 1007771286 /nfs/dbraw/zinc/77/12/86/1007771286.db2.gz LJEOVRTUWGBELM-UHFFFAOYSA-N 1 2 411.199 3.772 20 5 HHBDLO COc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000533682564 1008005475 /nfs/dbraw/zinc/00/54/75/1008005475.db2.gz IDCPSFODUPHXSS-YJBOKZPZSA-N 1 2 407.829 3.571 20 5 HHBDLO COc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000533682564 1008005482 /nfs/dbraw/zinc/00/54/82/1008005482.db2.gz IDCPSFODUPHXSS-YJBOKZPZSA-N 1 2 407.829 3.571 20 5 HHBDLO C[C@H]([C@H](C)[N@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)S(C)(=O)=O ZINC000539827331 1008121840 /nfs/dbraw/zinc/12/18/40/1008121840.db2.gz QPPKXVSSFFKPMG-JKSUJKDBSA-N 1 2 405.520 3.616 20 5 HHBDLO C[C@H]([C@H](C)[N@@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)S(C)(=O)=O ZINC000539827331 1008121846 /nfs/dbraw/zinc/12/18/46/1008121846.db2.gz QPPKXVSSFFKPMG-JKSUJKDBSA-N 1 2 405.520 3.616 20 5 HHBDLO O=C(CC[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000533935344 1008217747 /nfs/dbraw/zinc/21/77/47/1008217747.db2.gz IZZHTVAYGKTXRJ-GOSISDBHSA-N 1 2 421.400 3.598 20 5 HHBDLO O=C(CC[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000533935344 1008217754 /nfs/dbraw/zinc/21/77/54/1008217754.db2.gz IZZHTVAYGKTXRJ-GOSISDBHSA-N 1 2 421.400 3.598 20 5 HHBDLO Cc1c[nH]cc1C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000518253888 1008227795 /nfs/dbraw/zinc/22/77/95/1008227795.db2.gz QOKGLYJBYMHCHW-UHFFFAOYSA-N 1 2 410.499 3.918 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540226701 1008344044 /nfs/dbraw/zinc/34/40/44/1008344044.db2.gz ZKFCHYCKZYYLEO-UYAOXDASSA-N 1 2 405.857 3.882 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540226701 1008344047 /nfs/dbraw/zinc/34/40/47/1008344047.db2.gz ZKFCHYCKZYYLEO-UYAOXDASSA-N 1 2 405.857 3.882 20 5 HHBDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)C2CC2)cc1 ZINC000540354562 1008396028 /nfs/dbraw/zinc/39/60/28/1008396028.db2.gz PGQQVHGHEZWILA-CYBMUJFWSA-N 1 2 407.430 3.844 20 5 HHBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543096999 1008671731 /nfs/dbraw/zinc/67/17/31/1008671731.db2.gz HEMXEGNGVCHUDP-OAHLLOKOSA-N 1 2 420.897 3.931 20 5 HHBDLO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2nc(C3CCCCC3)no2)c([N+](=O)[O-])c1 ZINC000543538364 1009129784 /nfs/dbraw/zinc/12/97/84/1009129784.db2.gz WIYOLFSTLUGLEC-CYBMUJFWSA-N 1 2 417.466 3.714 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000543630427 1009236236 /nfs/dbraw/zinc/23/62/36/1009236236.db2.gz VONTVRSGRAVWJX-OAHLLOKOSA-N 1 2 413.503 3.894 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543891716 1009471072 /nfs/dbraw/zinc/47/10/72/1009471072.db2.gz HIUKXUBWSLTIOT-IEBWSBKVSA-N 1 2 422.407 3.647 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543891716 1009471076 /nfs/dbraw/zinc/47/10/76/1009471076.db2.gz HIUKXUBWSLTIOT-IEBWSBKVSA-N 1 2 422.407 3.647 20 5 HHBDLO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000544039587 1009641619 /nfs/dbraw/zinc/64/16/19/1009641619.db2.gz RNSUXGSMFCQLJT-UHFFFAOYSA-N 1 2 411.506 3.724 20 5 HHBDLO Cc1nc2cc(CNC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)ccc2n1C1CC1 ZINC000550157432 1009738646 /nfs/dbraw/zinc/73/86/46/1009738646.db2.gz BPBOBCVVPFNPOX-UHFFFAOYSA-N 1 2 416.441 3.704 20 5 HHBDLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000546974317 1009928622 /nfs/dbraw/zinc/92/86/22/1009928622.db2.gz ZEURYBZIAGQGOV-QGZVFWFLSA-N 1 2 414.437 3.562 20 5 HHBDLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000546974317 1009928630 /nfs/dbraw/zinc/92/86/30/1009928630.db2.gz ZEURYBZIAGQGOV-QGZVFWFLSA-N 1 2 414.437 3.562 20 5 HHBDLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000544420532 1010039142 /nfs/dbraw/zinc/03/91/42/1010039142.db2.gz BZBZWFPLZCZCAA-SNVBAGLBSA-N 1 2 424.383 3.871 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000544464386 1010087988 /nfs/dbraw/zinc/08/79/88/1010087988.db2.gz QGDMYEKIGXGHSN-KBPBESRZSA-N 1 2 410.430 3.936 20 5 HHBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000544490008 1010114434 /nfs/dbraw/zinc/11/44/34/1010114434.db2.gz ZVEJXAWUQYVWMW-HZPDHXFCSA-N 1 2 421.563 3.716 20 5 HHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000521179536 1010212420 /nfs/dbraw/zinc/21/24/20/1010212420.db2.gz UGJGISRNRHIEQU-UHFFFAOYSA-N 1 2 409.789 3.940 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1OC ZINC000541057794 1011698658 /nfs/dbraw/zinc/69/86/58/1011698658.db2.gz ATEGYBQYSKLCCQ-YEWDVWPNSA-N 1 2 420.428 3.916 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1OC ZINC000541057794 1011698664 /nfs/dbraw/zinc/69/86/64/1011698664.db2.gz ATEGYBQYSKLCCQ-YEWDVWPNSA-N 1 2 420.428 3.916 20 5 HHBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000536658856 1011806861 /nfs/dbraw/zinc/80/68/61/1011806861.db2.gz PMRJBKIKCYQRDA-UHFFFAOYSA-N 1 2 409.486 3.874 20 5 HHBDLO Cc1c(Cl)cccc1N1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000551737177 1011897451 /nfs/dbraw/zinc/89/74/51/1011897451.db2.gz ZFACFFCEQLKGIE-UHFFFAOYSA-N 1 2 402.882 3.707 20 5 HHBDLO Cc1c(Cl)cccc1N1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000551737177 1011897458 /nfs/dbraw/zinc/89/74/58/1011897458.db2.gz ZFACFFCEQLKGIE-UHFFFAOYSA-N 1 2 402.882 3.707 20 5 HHBDLO Cc1ccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1[N+](=O)[O-] ZINC000523586583 1012138490 /nfs/dbraw/zinc/13/84/90/1012138490.db2.gz VHDFDPGFKLAQSV-OAHLLOKOSA-N 1 2 404.417 3.968 20 5 HHBDLO Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1[N+](=O)[O-] ZINC000523586583 1012138501 /nfs/dbraw/zinc/13/85/01/1012138501.db2.gz VHDFDPGFKLAQSV-OAHLLOKOSA-N 1 2 404.417 3.968 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536917660 1012193994 /nfs/dbraw/zinc/19/39/94/1012193994.db2.gz XCSKRNRTFJYIOZ-IEBWSBKVSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536917660 1012194003 /nfs/dbraw/zinc/19/40/03/1012194003.db2.gz XCSKRNRTFJYIOZ-IEBWSBKVSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542093635 1013021733 /nfs/dbraw/zinc/02/17/33/1013021733.db2.gz NWGQYLLSEAVTKE-NQIIRXRSSA-N 1 2 421.419 3.896 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542093635 1013021756 /nfs/dbraw/zinc/02/17/56/1013021756.db2.gz NWGQYLLSEAVTKE-NQIIRXRSSA-N 1 2 421.419 3.896 20 5 HHBDLO CC(C)(C)OC(=O)C1(c2noc(-c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)n2)CCC1 ZINC000904829828 1071909241 /nfs/dbraw/zinc/90/92/41/1071909241.db2.gz SBIJIAZXIHANHW-UHFFFAOYSA-N 1 2 411.418 3.594 20 5 HHBDLO CCCCO[C@H]1C[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1(C)C ZINC001126843149 1072720912 /nfs/dbraw/zinc/72/09/12/1072720912.db2.gz HIFUXJURDZEYHU-OALUTQOASA-N 1 2 400.479 3.836 20 5 HHBDLO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cc1 ZINC000588212030 1072915216 /nfs/dbraw/zinc/91/52/16/1072915216.db2.gz VSANYGDANNZUCR-ZWKOTPCHSA-N 1 2 402.451 3.825 20 5 HHBDLO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cc1 ZINC000588212030 1072915220 /nfs/dbraw/zinc/91/52/20/1072915220.db2.gz VSANYGDANNZUCR-ZWKOTPCHSA-N 1 2 402.451 3.825 20 5 HHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000572322632 1073238655 /nfs/dbraw/zinc/23/86/55/1073238655.db2.gz ZKPPQEZKOUBAKX-CYBMUJFWSA-N 1 2 404.854 3.514 20 5 HHBDLO CC(C)(C)CCOc1cnccc1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000588931852 1073348973 /nfs/dbraw/zinc/34/89/73/1073348973.db2.gz FOWSIHDEYNZZOB-UHFFFAOYSA-N 1 2 401.463 3.866 20 5 HHBDLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555509978 1073577496 /nfs/dbraw/zinc/57/74/96/1073577496.db2.gz CEFOPXOFLCZMJL-UHFFFAOYSA-N 1 2 401.410 3.813 20 5 HHBDLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555509978 1073577507 /nfs/dbraw/zinc/57/75/07/1073577507.db2.gz CEFOPXOFLCZMJL-UHFFFAOYSA-N 1 2 401.410 3.813 20 5 HHBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(Oc3cncc(Cl)c3)CC2)c2c(c1)COCO2 ZINC000590600940 1073934805 /nfs/dbraw/zinc/93/48/05/1073934805.db2.gz IGEIBOWPUHVWEL-UHFFFAOYSA-N 1 2 405.838 3.553 20 5 HHBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000761121745 1075482482 /nfs/dbraw/zinc/48/24/82/1075482482.db2.gz YQSDPMSHNKQOAJ-ZDUSSCGKSA-N 1 2 403.870 3.547 20 5 HHBDLO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1c(F)cccc1F ZINC000301399470 970909085 /nfs/dbraw/zinc/90/90/85/970909085.db2.gz PFCOHIGDZLUSQJ-KRWDZBQOSA-N 1 2 406.389 3.544 20 5 HHBDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301481246 970951278 /nfs/dbraw/zinc/95/12/78/970951278.db2.gz YULBPOZBPRTLNI-ZDUSSCGKSA-N 1 2 413.865 3.780 20 5 HHBDLO C[C@H]1C[C@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000302188963 971202988 /nfs/dbraw/zinc/20/29/88/971202988.db2.gz QJURZEVALPJECT-GOEBONIOSA-N 1 2 423.560 3.549 20 5 HHBDLO C[C@H]1C[C@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000302188963 971202993 /nfs/dbraw/zinc/20/29/93/971202993.db2.gz QJURZEVALPJECT-GOEBONIOSA-N 1 2 423.560 3.549 20 5 HHBDLO C[N@@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C[C@H]1CCS(=O)(=O)C1 ZINC000537614841 1013155292 /nfs/dbraw/zinc/15/52/92/1013155292.db2.gz DQYMASHLFZUASO-OAHLLOKOSA-N 1 2 424.906 3.907 20 5 HHBDLO C[N@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C[C@H]1CCS(=O)(=O)C1 ZINC000537614841 1013155317 /nfs/dbraw/zinc/15/53/17/1013155317.db2.gz DQYMASHLFZUASO-OAHLLOKOSA-N 1 2 424.906 3.907 20 5 HHBDLO CC[NH+](CC)[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)c1ccccc1Cl ZINC000553252019 1013218440 /nfs/dbraw/zinc/21/84/40/1013218440.db2.gz VJSHCJPHEFJYHO-GOSISDBHSA-N 1 2 415.881 4.392 20 5 HHBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CCNc3ccccc3[N+](=O)[O-])n2)C1 ZINC000011376305 962070663 /nfs/dbraw/zinc/07/06/63/962070663.db2.gz CNDYSHMJNXKMGG-AWEZNQCLSA-N 1 2 403.508 3.724 20 5 HHBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CCNc3ccccc3[N+](=O)[O-])n2)C1 ZINC000011376305 962070676 /nfs/dbraw/zinc/07/06/76/962070676.db2.gz CNDYSHMJNXKMGG-AWEZNQCLSA-N 1 2 403.508 3.724 20 5 HHBDLO CC1CC[NH+](Cc2csc(NC(=O)CCNc3ccccc3[N+](=O)[O-])n2)CC1 ZINC000011527172 962114089 /nfs/dbraw/zinc/11/40/89/962114089.db2.gz GFWLUWKYEIKVHO-UHFFFAOYSA-N 1 2 403.508 3.724 20 5 HHBDLO CNc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1[N+](=O)[O-] ZINC000011762944 962182337 /nfs/dbraw/zinc/18/23/37/962182337.db2.gz IPKZZSKTTKHICN-UHFFFAOYSA-N 1 2 423.498 3.904 20 5 HHBDLO CNc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1[N+](=O)[O-] ZINC000011762944 962182345 /nfs/dbraw/zinc/18/23/45/962182345.db2.gz IPKZZSKTTKHICN-UHFFFAOYSA-N 1 2 423.498 3.904 20 5 HHBDLO O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000011764290 962183636 /nfs/dbraw/zinc/18/36/36/962183636.db2.gz LRHXFCAAIFOGLY-UHFFFAOYSA-N 1 2 408.483 3.791 20 5 HHBDLO O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000011764290 962183648 /nfs/dbraw/zinc/18/36/48/962183648.db2.gz LRHXFCAAIFOGLY-UHFFFAOYSA-N 1 2 408.483 3.791 20 5 HHBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000017744397 963225735 /nfs/dbraw/zinc/22/57/35/963225735.db2.gz WKVIUQUFFFQBDU-UHFFFAOYSA-N 1 2 408.380 3.963 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000024442059 964000576 /nfs/dbraw/zinc/00/05/76/964000576.db2.gz GDUPYOLWESAFNC-UHFFFAOYSA-N 1 2 409.490 3.510 20 5 HHBDLO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000050256036 964296345 /nfs/dbraw/zinc/29/63/45/964296345.db2.gz NNDGNGDPAMFAHL-UHFFFAOYSA-N 1 2 408.483 3.676 20 5 HHBDLO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000025556902 964305839 /nfs/dbraw/zinc/30/58/39/964305839.db2.gz AGPPUSQIMZXIJJ-LPHOPBHVSA-N 1 2 414.531 3.531 20 5 HHBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050559418 964354494 /nfs/dbraw/zinc/35/44/94/964354494.db2.gz ROQKYIIXNAPICM-UHFFFAOYSA-N 1 2 419.466 3.893 20 5 HHBDLO Cc1nn(Cc2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)cc2)c(C)c1[N+](=O)[O-] ZINC000029916430 965557758 /nfs/dbraw/zinc/55/77/58/965557758.db2.gz RMCJXXXFYIFPFD-UHFFFAOYSA-N 1 2 416.441 3.894 20 5 HHBDLO COc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000030609007 965742971 /nfs/dbraw/zinc/74/29/71/965742971.db2.gz NTAPJIHNOXPMRO-UHFFFAOYSA-N 1 2 404.329 3.643 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538029026 1013600465 /nfs/dbraw/zinc/60/04/65/1013600465.db2.gz NOJRBCPXIDLSAC-VQIMIIECSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538029026 1013600469 /nfs/dbraw/zinc/60/04/69/1013600469.db2.gz NOJRBCPXIDLSAC-VQIMIIECSA-N 1 2 421.856 3.961 20 5 HHBDLO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031896389 966149268 /nfs/dbraw/zinc/14/92/68/966149268.db2.gz KHKDVLZXKVTBGV-QGZVFWFLSA-N 1 2 421.856 3.719 20 5 HHBDLO CCOc1cc2c(cc1NC(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000032054964 966184109 /nfs/dbraw/zinc/18/41/09/966184109.db2.gz MRJKGESGCZUBKY-ZDUSSCGKSA-N 1 2 408.414 3.755 20 5 HHBDLO O=C(c1ccccc1)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000032157515 966197275 /nfs/dbraw/zinc/19/72/75/966197275.db2.gz RCMFQDDTEWZIAV-UHFFFAOYSA-N 1 2 404.426 3.516 20 5 HHBDLO CC(C)(C)c1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000032252397 966207804 /nfs/dbraw/zinc/20/78/04/966207804.db2.gz HYOONYDUJXQUPL-IBGZPJMESA-N 1 2 411.502 3.523 20 5 HHBDLO CC(C)(C)c1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000032252397 966207817 /nfs/dbraw/zinc/20/78/17/966207817.db2.gz HYOONYDUJXQUPL-IBGZPJMESA-N 1 2 411.502 3.523 20 5 HHBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000538071379 1013646144 /nfs/dbraw/zinc/64/61/44/1013646144.db2.gz RUANWLYNAYJFRI-ZDUSSCGKSA-N 1 2 400.822 3.518 20 5 HHBDLO COc1ccc2cc(CNC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)ccc2c1 ZINC000033230875 966399929 /nfs/dbraw/zinc/39/99/29/966399929.db2.gz CVTGLBYKXATMBA-UHFFFAOYSA-N 1 2 402.410 3.872 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000041886361 966660439 /nfs/dbraw/zinc/66/04/39/966660439.db2.gz YVOAMDJATDYDEZ-VMPITWQZSA-N 1 2 408.502 3.563 20 5 HHBDLO COc1ccc(S(=O)(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c([N+](=O)[O-])c1 ZINC000538133078 1013695325 /nfs/dbraw/zinc/69/53/25/1013695325.db2.gz QKGAHEUKVAIQKZ-OAHLLOKOSA-N 1 2 419.503 3.636 20 5 HHBDLO COc1ccc(S(=O)(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c([N+](=O)[O-])c1 ZINC000538133078 1013695329 /nfs/dbraw/zinc/69/53/29/1013695329.db2.gz QKGAHEUKVAIQKZ-OAHLLOKOSA-N 1 2 419.503 3.636 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000553919712 1013700897 /nfs/dbraw/zinc/70/08/97/1013700897.db2.gz QREANXSWWJRYPG-UWJYYQICSA-N 1 2 419.428 3.512 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000553919712 1013700901 /nfs/dbraw/zinc/70/09/01/1013700901.db2.gz QREANXSWWJRYPG-UWJYYQICSA-N 1 2 419.428 3.512 20 5 HHBDLO COc1cccc(C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]2CCCO2)c1 ZINC000064400442 967172565 /nfs/dbraw/zinc/17/25/65/967172565.db2.gz ZZHPUWXZNDVQIX-FQEVSTJZSA-N 1 2 413.474 3.532 20 5 HHBDLO COc1cccc(C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]2CCCO2)c1 ZINC000064400442 967172568 /nfs/dbraw/zinc/17/25/68/967172568.db2.gz ZZHPUWXZNDVQIX-FQEVSTJZSA-N 1 2 413.474 3.532 20 5 HHBDLO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(NC(=O)C2CC2)cc1 ZINC000538152339 1013713038 /nfs/dbraw/zinc/71/30/38/1013713038.db2.gz ZIEFCCDTWZHSAK-CYBMUJFWSA-N 1 2 407.430 3.844 20 5 HHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000542882787 1013731265 /nfs/dbraw/zinc/73/12/65/1013731265.db2.gz HLEWQRRDHPGCIM-ZBFHGGJFSA-N 1 2 417.510 3.834 20 5 HHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000542882787 1013731268 /nfs/dbraw/zinc/73/12/68/1013731268.db2.gz HLEWQRRDHPGCIM-ZBFHGGJFSA-N 1 2 417.510 3.834 20 5 HHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)cc1OC ZINC000542882787 1013731277 /nfs/dbraw/zinc/73/12/77/1013731277.db2.gz HLEWQRRDHPGCIM-ZBFHGGJFSA-N 1 2 417.510 3.834 20 5 HHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)cc1OC ZINC000542882787 1013731284 /nfs/dbraw/zinc/73/12/84/1013731284.db2.gz HLEWQRRDHPGCIM-ZBFHGGJFSA-N 1 2 417.510 3.834 20 5 HHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)cc1OC ZINC000542882787 1013731290 /nfs/dbraw/zinc/73/12/90/1013731290.db2.gz HLEWQRRDHPGCIM-ZBFHGGJFSA-N 1 2 417.510 3.834 20 5 HHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)cc1OC ZINC000542882787 1013731296 /nfs/dbraw/zinc/73/12/96/1013731296.db2.gz HLEWQRRDHPGCIM-ZBFHGGJFSA-N 1 2 417.510 3.834 20 5 HHBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000046341743 967752523 /nfs/dbraw/zinc/75/25/23/967752523.db2.gz NGWNJEBMAWWYOO-HOTGVXAUSA-N 1 2 415.515 3.935 20 5 HHBDLO Cc1nn(Cc2ccc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)cc2)c(C)c1[N+](=O)[O-] ZINC000047514548 968218315 /nfs/dbraw/zinc/21/83/15/968218315.db2.gz TWJBPCOYLYSBSL-UHFFFAOYSA-N 1 2 416.441 3.894 20 5 HHBDLO COc1cc(C)c([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1OC ZINC000097335108 969124723 /nfs/dbraw/zinc/12/47/23/969124723.db2.gz NRKNUHBMTHYJFX-CQSZACIVSA-N 1 2 410.430 3.597 20 5 HHBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000105825401 969265726 /nfs/dbraw/zinc/26/57/26/969265726.db2.gz OJOQXSFXCFBILE-UHFFFAOYSA-N 1 2 413.352 3.573 20 5 HHBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000105825401 969265733 /nfs/dbraw/zinc/26/57/33/969265733.db2.gz OJOQXSFXCFBILE-UHFFFAOYSA-N 1 2 413.352 3.573 20 5 HHBDLO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000212405735 970033871 /nfs/dbraw/zinc/03/38/71/970033871.db2.gz HQEVCIOODFXXRK-TWGQIWQCSA-N 1 2 420.513 3.666 20 5 HHBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000140726773 970085384 /nfs/dbraw/zinc/08/53/84/970085384.db2.gz FJHVZUPTBZKLJU-HXUWFJFHSA-N 1 2 404.470 3.873 20 5 HHBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000140726773 970085399 /nfs/dbraw/zinc/08/53/99/970085399.db2.gz FJHVZUPTBZKLJU-HXUWFJFHSA-N 1 2 404.470 3.873 20 5 HHBDLO CCN(Cc1ccccc1)C(=O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236955381 970193701 /nfs/dbraw/zinc/19/37/01/970193701.db2.gz LTJADNMOBUNVMZ-UHFFFAOYSA-N 1 2 410.499 3.857 20 5 HHBDLO CS(=O)(=O)c1cccc(Oc2ncccc2C[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000237461919 970292598 /nfs/dbraw/zinc/29/25/98/970292598.db2.gz PAPDYXYQFQQNSW-UHFFFAOYSA-N 1 2 419.484 3.537 20 5 HHBDLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000248059517 970504382 /nfs/dbraw/zinc/50/43/82/970504382.db2.gz VEBNAJUAKPDQCG-UHFFFAOYSA-N 1 2 416.441 3.513 20 5 HHBDLO O=[N+]([O-])c1cc(I)ccc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000301075473 970735518 /nfs/dbraw/zinc/73/55/18/970735518.db2.gz FBGZRBQQIBSOAV-UHFFFAOYSA-N 1 2 424.242 3.675 20 5 HHBDLO O=[N+]([O-])c1cc(I)ccc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000301126629 970761362 /nfs/dbraw/zinc/76/13/62/970761362.db2.gz WOLHFEUZSLJGEZ-UHFFFAOYSA-N 1 2 424.242 3.807 20 5 HHBDLO O=[N+]([O-])c1cc(Br)ccc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000311709233 972626997 /nfs/dbraw/zinc/62/69/97/972626997.db2.gz UVWWJXCVIFTBQS-MRXNPFEDSA-N 1 2 406.280 3.670 20 5 HHBDLO O=[N+]([O-])c1cc(Br)ccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000311709233 972627002 /nfs/dbraw/zinc/62/70/02/972627002.db2.gz UVWWJXCVIFTBQS-MRXNPFEDSA-N 1 2 406.280 3.670 20 5 HHBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc(-c2ccncc2)cs1 ZINC000409665218 973122553 /nfs/dbraw/zinc/12/25/53/973122553.db2.gz OEOLLJRAYWPKIW-CYBMUJFWSA-N 1 2 420.454 3.790 20 5 HHBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000426189325 974299251 /nfs/dbraw/zinc/29/92/51/974299251.db2.gz YXLOMHKHHAWWDU-UHFFFAOYSA-N 1 2 413.437 3.832 20 5 HHBDLO O=C(NCCCNc1cccc[nH+]1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426875546 974725816 /nfs/dbraw/zinc/72/58/16/974725816.db2.gz OKOGYFBCURAZCB-UHFFFAOYSA-N 1 2 406.442 3.801 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000426884085 974730366 /nfs/dbraw/zinc/73/03/66/974730366.db2.gz WQKUGXYMYOVUQL-QZTJIDSGSA-N 1 2 410.474 3.925 20 5 HHBDLO CCCOc1cc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])cc1OCCC ZINC000429265440 976553084 /nfs/dbraw/zinc/55/30/84/976553084.db2.gz PTPCYCYZYQBOMV-CQSZACIVSA-N 1 2 417.466 3.505 20 5 HHBDLO CCOC(=O)c1csc(C2CC[NH+](Cc3cc(OC)c(F)cc3[N+](=O)[O-])CC2)n1 ZINC000429583097 976856389 /nfs/dbraw/zinc/85/63/89/976856389.db2.gz IXBVSEVORQSZBB-UHFFFAOYSA-N 1 2 423.466 3.755 20 5 HHBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430054806 977300682 /nfs/dbraw/zinc/30/06/82/977300682.db2.gz BAOTVPYVKCZIDB-UHFFFAOYSA-N 1 2 415.247 3.532 20 5 HHBDLO O=C(C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430940405 977902685 /nfs/dbraw/zinc/90/26/85/977902685.db2.gz PBYVKNUUUVWEOW-SFHVURJKSA-N 1 2 417.893 3.910 20 5 HHBDLO O=C(C[N@H+]1CC[C@H](OCCCc2ccccc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430940405 977902690 /nfs/dbraw/zinc/90/26/90/977902690.db2.gz PBYVKNUUUVWEOW-SFHVURJKSA-N 1 2 417.893 3.910 20 5 HHBDLO Cc1cc(OCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000432198728 978710252 /nfs/dbraw/zinc/71/02/52/978710252.db2.gz PRPVEGMIBONDRQ-YLJYHZDGSA-N 1 2 421.856 3.636 20 5 HHBDLO Cc1cc(OCC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000432198728 978710254 /nfs/dbraw/zinc/71/02/54/978710254.db2.gz PRPVEGMIBONDRQ-YLJYHZDGSA-N 1 2 421.856 3.636 20 5 HHBDLO C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000433047796 979051527 /nfs/dbraw/zinc/05/15/27/979051527.db2.gz YRYBTVRHHMZFLG-ZQHDKMAOSA-N 1 2 424.526 3.790 20 5 HHBDLO C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000433047796 979051530 /nfs/dbraw/zinc/05/15/30/979051530.db2.gz YRYBTVRHHMZFLG-ZQHDKMAOSA-N 1 2 424.526 3.790 20 5 HHBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433958356 979716210 /nfs/dbraw/zinc/71/62/10/979716210.db2.gz NZHHCMPHKAWHIV-UHFFFAOYSA-N 1 2 409.490 3.722 20 5 HHBDLO Cc1c(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435331076 980789566 /nfs/dbraw/zinc/78/95/66/980789566.db2.gz YODIVHQPPIEFPS-UHFFFAOYSA-N 1 2 408.256 3.731 20 5 HHBDLO O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC(n2cc[nH+]c2)CC1 ZINC000436255303 981271417 /nfs/dbraw/zinc/27/14/17/981271417.db2.gz UTGQESCXILREQO-UHFFFAOYSA-N 1 2 408.408 3.633 20 5 HHBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000437049747 981720744 /nfs/dbraw/zinc/72/07/44/981720744.db2.gz ZDPPQSIEIYSDJN-UHFFFAOYSA-N 1 2 416.909 3.951 20 5 HHBDLO C[C@@H]1[C@H](C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)C1(F)F ZINC000460686284 982449684 /nfs/dbraw/zinc/44/96/84/982449684.db2.gz UKIHUEVIXWXZNJ-FZKQIMNGSA-N 1 2 421.469 3.869 20 5 HHBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438011344 982522798 /nfs/dbraw/zinc/52/27/98/982522798.db2.gz LEHXRNMVQMDISY-UHFFFAOYSA-N 1 2 409.421 3.794 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000439915573 983581902 /nfs/dbraw/zinc/58/19/02/983581902.db2.gz OPQCXOWEJPKOSE-CQSZACIVSA-N 1 2 404.492 3.966 20 5 HHBDLO COc1ccccc1-c1nc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000440492861 983775480 /nfs/dbraw/zinc/77/54/80/983775480.db2.gz KAIZLOTWMXQBAN-CQSZACIVSA-N 1 2 411.487 3.808 20 5 HHBDLO COc1ccccc1-c1nc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000440492861 983775484 /nfs/dbraw/zinc/77/54/84/983775484.db2.gz KAIZLOTWMXQBAN-CQSZACIVSA-N 1 2 411.487 3.808 20 5 HHBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000440811571 983917040 /nfs/dbraw/zinc/91/70/40/983917040.db2.gz YLDUZKROGYUZOG-OAQYLSRUSA-N 1 2 407.474 3.691 20 5 HHBDLO COc1ccc(OCC[NH+]2CCN([C@H](C)c3ccc(F)cc3F)CC2)c([N+](=O)[O-])c1 ZINC000441473506 984270428 /nfs/dbraw/zinc/27/04/28/984270428.db2.gz LVEWPVRCMFVYTB-OAHLLOKOSA-N 1 2 421.444 3.639 20 5 HHBDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000442577327 985064521 /nfs/dbraw/zinc/06/45/21/985064521.db2.gz FCYLNXGTJUWVIA-OAHLLOKOSA-N 1 2 416.453 3.871 20 5 HHBDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000442577327 985064532 /nfs/dbraw/zinc/06/45/32/985064532.db2.gz FCYLNXGTJUWVIA-OAHLLOKOSA-N 1 2 416.453 3.871 20 5 HHBDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@@H](C)C1 ZINC000442892483 985264527 /nfs/dbraw/zinc/26/45/27/985264527.db2.gz FDKGXOQTOOPCLW-INIZCTEOSA-N 1 2 422.485 3.821 20 5 HHBDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@@H](C)C1 ZINC000442892483 985264539 /nfs/dbraw/zinc/26/45/39/985264539.db2.gz FDKGXOQTOOPCLW-INIZCTEOSA-N 1 2 422.485 3.821 20 5 HHBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3coc(-c4c(F)cccc4F)n3)C2)nc1 ZINC000443588683 985764882 /nfs/dbraw/zinc/76/48/82/985764882.db2.gz CVGYWBJQOUCYMC-GFCCVEGCSA-N 1 2 401.373 3.609 20 5 HHBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3coc(-c4c(F)cccc4F)n3)C2)nc1 ZINC000443588683 985764901 /nfs/dbraw/zinc/76/49/01/985764901.db2.gz CVGYWBJQOUCYMC-GFCCVEGCSA-N 1 2 401.373 3.609 20 5 HHBDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000462912947 985843844 /nfs/dbraw/zinc/84/38/44/985843844.db2.gz PJDALCGJKXAGEG-HNNXBMFYSA-N 1 2 407.446 3.856 20 5 HHBDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000462912948 985844566 /nfs/dbraw/zinc/84/45/66/985844566.db2.gz PJDALCGJKXAGEG-OAHLLOKOSA-N 1 2 407.446 3.856 20 5 HHBDLO CS(=O)(=O)C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000463061616 986019420 /nfs/dbraw/zinc/01/94/20/986019420.db2.gz JQQWEURQRUSIEE-IBGZPJMESA-N 1 2 400.456 3.730 20 5 HHBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000463097515 986056588 /nfs/dbraw/zinc/05/65/88/986056588.db2.gz JRQJONVLNVSERX-LBPRGKRZSA-N 1 2 424.320 3.938 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(CCC(F)(F)F)CC(F)(F)F ZINC000468513404 986214546 /nfs/dbraw/zinc/21/45/46/986214546.db2.gz CXJKEQPAVULNQI-UHFFFAOYSA-N 1 2 410.274 3.737 20 5 HHBDLO O=C(C[N@@H+]1CC[C@H](COCc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000444169385 986345134 /nfs/dbraw/zinc/34/51/34/986345134.db2.gz RIIWUYPLBAQJTJ-INIZCTEOSA-N 1 2 403.866 3.725 20 5 HHBDLO O=C(C[N@H+]1CC[C@H](COCc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000444169385 986345143 /nfs/dbraw/zinc/34/51/43/986345143.db2.gz RIIWUYPLBAQJTJ-INIZCTEOSA-N 1 2 403.866 3.725 20 5 HHBDLO CN(CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccccc1[N+](=O)[O-] ZINC000463384286 986351831 /nfs/dbraw/zinc/35/18/31/986351831.db2.gz IEUWTXGZVSSZLV-UHFFFAOYSA-N 1 2 405.458 3.870 20 5 HHBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000463436531 986412752 /nfs/dbraw/zinc/41/27/52/986412752.db2.gz AXVAPPFESQBJDC-NQIIRXRSSA-N 1 2 405.458 3.727 20 5 HHBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000463436531 986412756 /nfs/dbraw/zinc/41/27/56/986412756.db2.gz AXVAPPFESQBJDC-NQIIRXRSSA-N 1 2 405.458 3.727 20 5 HHBDLO COc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000444332092 986510540 /nfs/dbraw/zinc/51/05/40/986510540.db2.gz YIJSUVIWTJUZGK-WBVHZDCISA-N 1 2 407.829 3.571 20 5 HHBDLO COc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000444332092 986510545 /nfs/dbraw/zinc/51/05/45/986510545.db2.gz YIJSUVIWTJUZGK-WBVHZDCISA-N 1 2 407.829 3.571 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000444345561 986526783 /nfs/dbraw/zinc/52/67/83/986526783.db2.gz SIBNVBXFFNHUOV-AEFFLSMTSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000444345561 986526790 /nfs/dbraw/zinc/52/67/90/986526790.db2.gz SIBNVBXFFNHUOV-AEFFLSMTSA-N 1 2 421.856 3.961 20 5 HHBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444854794 987011526 /nfs/dbraw/zinc/01/15/26/987011526.db2.gz WYHMBJVVFCKUPR-UHFFFAOYSA-N 1 2 422.488 3.899 20 5 HHBDLO C[C@H](CNC(=O)c1sc(Br)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000444855426 987012287 /nfs/dbraw/zinc/01/22/87/987012287.db2.gz HXRVZPQGBLNMMJ-LLVKDONJSA-N 1 2 424.320 3.595 20 5 HHBDLO C[C@H](CNC(=O)c1sc(Br)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000444855426 987012296 /nfs/dbraw/zinc/01/22/96/987012296.db2.gz HXRVZPQGBLNMMJ-LLVKDONJSA-N 1 2 424.320 3.595 20 5 HHBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)c1C ZINC000445178673 987261222 /nfs/dbraw/zinc/26/12/22/987261222.db2.gz DXAFNVLCUGTHAO-UHFFFAOYSA-N 1 2 401.466 3.974 20 5 HHBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(CC(=O)Nc2cccc(C)c2C)CC1 ZINC000470170006 988085493 /nfs/dbraw/zinc/08/54/93/988085493.db2.gz NFQSHASOJSBGCL-JXAWBTAJSA-N 1 2 422.529 3.871 20 5 HHBDLO CC(C)OCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000470220063 988147603 /nfs/dbraw/zinc/14/76/03/988147603.db2.gz WOMMSVNHUIBDBD-UHFFFAOYSA-N 1 2 413.474 3.570 20 5 HHBDLO COc1cc(NC2CC[NH+](Cc3cc(OC)c(F)cc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000464692987 988901500 /nfs/dbraw/zinc/90/15/00/988901500.db2.gz RNIXHOPONRKXNV-UHFFFAOYSA-N 1 2 419.453 3.836 20 5 HHBDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1F ZINC000464776692 989002955 /nfs/dbraw/zinc/00/29/55/989002955.db2.gz NQWCQLUKISNTLB-HNNXBMFYSA-N 1 2 401.438 3.913 20 5 HHBDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464783037 989011998 /nfs/dbraw/zinc/01/19/98/989011998.db2.gz FFVHLIISMUVBGP-CYBMUJFWSA-N 1 2 404.854 3.514 20 5 HHBDLO COc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1Cl ZINC000464783301 989012060 /nfs/dbraw/zinc/01/20/60/989012060.db2.gz JCOITHXAWZSGMB-UHFFFAOYSA-N 1 2 419.865 3.739 20 5 HHBDLO O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000466336714 991592560 /nfs/dbraw/zinc/59/25/60/991592560.db2.gz JADFPHCXRMIBNO-UHFFFAOYSA-N 1 2 408.393 3.623 20 5 HHBDLO CCOc1cc(N2CC[NH+](Cc3cncn3Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000481780408 994629453 /nfs/dbraw/zinc/62/94/53/994629453.db2.gz LIMNMYPMFHYTTI-UHFFFAOYSA-N 1 2 421.501 3.561 20 5 HHBDLO Cc1cc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000473767550 994685827 /nfs/dbraw/zinc/68/58/27/994685827.db2.gz USOJYYBLOWMGTA-RTBURBONSA-N 1 2 418.881 3.750 20 5 HHBDLO Cc1cc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000473767550 994685829 /nfs/dbraw/zinc/68/58/29/994685829.db2.gz USOJYYBLOWMGTA-RTBURBONSA-N 1 2 418.881 3.750 20 5 HHBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000473912041 994875987 /nfs/dbraw/zinc/87/59/87/994875987.db2.gz LWFSJHJIBWJWOT-CQSZACIVSA-N 1 2 424.432 3.507 20 5 HHBDLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000474649293 995594509 /nfs/dbraw/zinc/59/45/09/995594509.db2.gz CTTTVZOUHZKSBZ-UHFFFAOYSA-N 1 2 410.861 3.585 20 5 HHBDLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000474649293 995594522 /nfs/dbraw/zinc/59/45/22/995594522.db2.gz CTTTVZOUHZKSBZ-UHFFFAOYSA-N 1 2 410.861 3.585 20 5 HHBDLO O=[N+]([O-])c1cc(Br)cnc1N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000474775596 995702956 /nfs/dbraw/zinc/70/29/56/995702956.db2.gz QPBFGVFQMVFPDO-DAXSKMNVSA-N 1 2 403.280 3.588 20 5 HHBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)CCO2 ZINC000475292233 996049715 /nfs/dbraw/zinc/04/97/15/996049715.db2.gz SBEFONHPHWDEDO-YCRPNKLZSA-N 1 2 402.422 3.906 20 5 HHBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)CCO2 ZINC000475292233 996049722 /nfs/dbraw/zinc/04/97/22/996049722.db2.gz SBEFONHPHWDEDO-YCRPNKLZSA-N 1 2 402.422 3.906 20 5 HHBDLO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000483645842 996305346 /nfs/dbraw/zinc/30/53/46/996305346.db2.gz LJMXKGDFNTYTQJ-CABCVRRESA-N 1 2 409.446 3.637 20 5 HHBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000476091741 996589479 /nfs/dbraw/zinc/58/94/79/996589479.db2.gz QQVHJCNLOVHOMX-UHFFFAOYSA-N 1 2 402.401 3.670 20 5 HHBDLO Cc1cccc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000485450438 997892182 /nfs/dbraw/zinc/89/21/82/997892182.db2.gz HVPGCHMNJSDGIQ-UHFFFAOYSA-N 1 2 404.430 3.792 20 5 HHBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000477455796 998163928 /nfs/dbraw/zinc/16/39/28/998163928.db2.gz MQAHTZTZDVUAFG-HUUCEWRRSA-N 1 2 401.438 3.524 20 5 HHBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000485723622 998195012 /nfs/dbraw/zinc/19/50/12/998195012.db2.gz POZLMFPLKLOJJE-AEFFLSMTSA-N 1 2 407.442 3.770 20 5 HHBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000485723622 998195020 /nfs/dbraw/zinc/19/50/20/998195020.db2.gz POZLMFPLKLOJJE-AEFFLSMTSA-N 1 2 407.442 3.770 20 5 HHBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000477644318 998361308 /nfs/dbraw/zinc/36/13/08/998361308.db2.gz QYVUDMMCVBAEMW-NQIIRXRSSA-N 1 2 422.485 3.952 20 5 HHBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000477644318 998361323 /nfs/dbraw/zinc/36/13/23/998361323.db2.gz QYVUDMMCVBAEMW-NQIIRXRSSA-N 1 2 422.485 3.952 20 5 HHBDLO Cc1ccc2[nH+]c(CSCC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cn2c1 ZINC000486095465 998542977 /nfs/dbraw/zinc/54/29/77/998542977.db2.gz LISAEGIMPIZWDX-UHFFFAOYSA-N 1 2 410.499 3.975 20 5 HHBDLO Cc1cc(Br)cn2cc(CCNC(=O)c3c(C)cccc3[N+](=O)[O-])[nH+]c12 ZINC000486119678 998567866 /nfs/dbraw/zinc/56/78/66/998567866.db2.gz WOCHBRUYECTQIE-UHFFFAOYSA-N 1 2 417.263 3.594 20 5 HHBDLO COc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1Br ZINC000486169014 998616543 /nfs/dbraw/zinc/61/65/43/998616543.db2.gz GTKYOBKZKUELOU-UHFFFAOYSA-N 1 2 417.219 3.804 20 5 HHBDLO CCc1nc2c(s1)[C@H]([N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CCC2 ZINC000478043288 998731143 /nfs/dbraw/zinc/73/11/43/998731143.db2.gz CRKQIGCODBDTBN-OAHLLOKOSA-N 1 2 404.492 3.570 20 5 HHBDLO CCc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CCC2 ZINC000478043288 998731147 /nfs/dbraw/zinc/73/11/47/998731147.db2.gz CRKQIGCODBDTBN-OAHLLOKOSA-N 1 2 404.492 3.570 20 5 HHBDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)cc1 ZINC000486453351 998776655 /nfs/dbraw/zinc/77/66/55/998776655.db2.gz FGFZYGAXDRAVGC-QGZVFWFLSA-N 1 2 407.417 3.990 20 5 HHBDLO C[C@@H]1C[N@@H+]([C@@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c2cccs2)CCO1 ZINC000486921808 999007524 /nfs/dbraw/zinc/00/75/24/999007524.db2.gz DHKVMTUANBPIFD-CJNGLKHVSA-N 1 2 415.475 3.580 20 5 HHBDLO C[C@@H]1C[N@H+]([C@@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c2cccs2)CCO1 ZINC000486921808 999007531 /nfs/dbraw/zinc/00/75/31/999007531.db2.gz DHKVMTUANBPIFD-CJNGLKHVSA-N 1 2 415.475 3.580 20 5 HHBDLO C[C@@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000487637660 999237678 /nfs/dbraw/zinc/23/76/78/999237678.db2.gz SOGHOGABUNQJCR-CVEARBPZSA-N 1 2 415.515 3.585 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000487723397 999266175 /nfs/dbraw/zinc/26/61/75/999266175.db2.gz CEIJKMHLBOKIPO-UHFFFAOYSA-N 1 2 406.389 3.512 20 5 HHBDLO C[C@@H](CF)[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000487876066 999301603 /nfs/dbraw/zinc/30/16/03/999301603.db2.gz IDQQPFUGNMWANE-ZBEGNZNMSA-N 1 2 410.243 3.985 20 5 HHBDLO CCOc1ccc([C@@H](C)[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000479500776 999446147 /nfs/dbraw/zinc/44/61/47/999446147.db2.gz JEDVYHQZWDJEAB-DIFFPNOSSA-N 1 2 422.279 3.633 20 5 HHBDLO C[C@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)[NH+]1CCOCC1 ZINC000488887539 999637364 /nfs/dbraw/zinc/63/73/64/999637364.db2.gz SWBRKQZJLYLBNN-JKSUJKDBSA-N 1 2 415.515 3.585 20 5 HHBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)[C@@H](C)[NH+]1CCOCC1 ZINC000488887537 999637370 /nfs/dbraw/zinc/63/73/70/999637370.db2.gz SWBRKQZJLYLBNN-HZPDHXFCSA-N 1 2 415.515 3.585 20 5 HHBDLO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488995986 999667302 /nfs/dbraw/zinc/66/73/02/999667302.db2.gz KAKIADRTSYINNJ-NSHDSACASA-N 1 2 412.277 3.762 20 5 HHBDLO Cc1cc(C(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)n1CCC(C)C ZINC000489024587 999675574 /nfs/dbraw/zinc/67/55/74/999675574.db2.gz FLRGJOGBUPMIRN-UHFFFAOYSA-N 1 2 401.511 3.776 20 5 HHBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3cc(C)nc4c3cccc4[N+](=O)[O-])CC2)no1 ZINC000480234096 999752644 /nfs/dbraw/zinc/75/26/44/999752644.db2.gz VUESPBDTXCWGHT-MRXNPFEDSA-N 1 2 410.478 3.634 20 5 HHBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3cc(C)nc4c3cccc4[N+](=O)[O-])CC2)no1 ZINC000480234096 999752645 /nfs/dbraw/zinc/75/26/45/999752645.db2.gz VUESPBDTXCWGHT-MRXNPFEDSA-N 1 2 410.478 3.634 20 5 HHBDLO CC[N@H+](Cc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1)C(C)C ZINC000490361843 999944727 /nfs/dbraw/zinc/94/47/27/999944727.db2.gz FZAAGSKDPCLYMN-UHFFFAOYSA-N 1 2 408.462 3.863 20 5 HHBDLO CC[N@@H+](Cc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1)C(C)C ZINC000490361843 999944729 /nfs/dbraw/zinc/94/47/29/999944729.db2.gz FZAAGSKDPCLYMN-UHFFFAOYSA-N 1 2 408.462 3.863 20 5 HHBDLO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490847496 1000015466 /nfs/dbraw/zinc/01/54/66/1000015466.db2.gz USMSTVQNEPAZGS-AWEZNQCLSA-N 1 2 403.429 3.585 20 5 HHBDLO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490847496 1000015467 /nfs/dbraw/zinc/01/54/67/1000015467.db2.gz USMSTVQNEPAZGS-AWEZNQCLSA-N 1 2 403.429 3.585 20 5 HHBDLO Cc1cc([C@H]2C[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CCO2)ccc1F ZINC000491106580 1000045925 /nfs/dbraw/zinc/04/59/25/1000045925.db2.gz ANZZMZFOLGAQAB-HXUWFJFHSA-N 1 2 401.438 3.753 20 5 HHBDLO Cc1cc([C@H]2C[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CCO2)ccc1F ZINC000491106580 1000045926 /nfs/dbraw/zinc/04/59/26/1000045926.db2.gz ANZZMZFOLGAQAB-HXUWFJFHSA-N 1 2 401.438 3.753 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000491243554 1000058149 /nfs/dbraw/zinc/05/81/49/1000058149.db2.gz MUFXERGZICAQDB-FQEVSTJZSA-N 1 2 401.438 3.753 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000491243554 1000058151 /nfs/dbraw/zinc/05/81/51/1000058151.db2.gz MUFXERGZICAQDB-FQEVSTJZSA-N 1 2 401.438 3.753 20 5 HHBDLO COc1cc(C[N@H+](C)C[C@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491920952 1000100702 /nfs/dbraw/zinc/10/07/02/1000100702.db2.gz MFRSKRPDHFKRCR-AWEZNQCLSA-N 1 2 424.400 3.519 20 5 HHBDLO COc1cc(C[N@@H+](C)C[C@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491920952 1000100703 /nfs/dbraw/zinc/10/07/03/1000100703.db2.gz MFRSKRPDHFKRCR-AWEZNQCLSA-N 1 2 424.400 3.519 20 5 HHBDLO C[C@@H]1CCCN(c2ccc(C(=O)N(C)Cc3cn4c([nH+]3)CCCC4)cc2[N+](=O)[O-])C1 ZINC000504535744 1000255704 /nfs/dbraw/zinc/25/57/04/1000255704.db2.gz GBRJRLVILPZFKD-MRXNPFEDSA-N 1 2 411.506 3.636 20 5 HHBDLO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000494111919 1000313774 /nfs/dbraw/zinc/31/37/74/1000313774.db2.gz PEWDMLHPPVBSGY-CRAIPNDOSA-N 1 2 421.448 3.502 20 5 HHBDLO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000494111919 1000313782 /nfs/dbraw/zinc/31/37/82/1000313782.db2.gz PEWDMLHPPVBSGY-CRAIPNDOSA-N 1 2 421.448 3.502 20 5 HHBDLO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000494135528 1000324745 /nfs/dbraw/zinc/32/47/45/1000324745.db2.gz YMTGPIORWRMOCG-QAPCUYQASA-N 1 2 421.448 3.673 20 5 HHBDLO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000494135528 1000324749 /nfs/dbraw/zinc/32/47/49/1000324749.db2.gz YMTGPIORWRMOCG-QAPCUYQASA-N 1 2 421.448 3.673 20 5 HHBDLO CC(C)Oc1cc(CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C2CC2)ccn1 ZINC000504827196 1000387988 /nfs/dbraw/zinc/38/79/88/1000387988.db2.gz ZOTQEUAFBANBTO-UHFFFAOYSA-N 1 2 421.457 3.768 20 5 HHBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000495211359 1000915749 /nfs/dbraw/zinc/91/57/49/1000915749.db2.gz NESLBJNTTQGAOR-UHFFFAOYSA-N 1 2 419.363 3.799 20 5 HHBDLO O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505777088 1001017964 /nfs/dbraw/zinc/01/79/64/1001017964.db2.gz MMRRBVDMJAFXJX-FQEVSTJZSA-N 1 2 423.494 3.891 20 5 HHBDLO O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505777088 1001017970 /nfs/dbraw/zinc/01/79/70/1001017970.db2.gz MMRRBVDMJAFXJX-FQEVSTJZSA-N 1 2 423.494 3.891 20 5 HHBDLO CCOc1cc(C[N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000506176246 1001260910 /nfs/dbraw/zinc/26/09/10/1001260910.db2.gz JORGXMLTQDYQCE-UHFFFAOYSA-N 1 2 423.416 3.690 20 5 HHBDLO CCOc1cc(C[N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000506176246 1001260916 /nfs/dbraw/zinc/26/09/16/1001260916.db2.gz JORGXMLTQDYQCE-UHFFFAOYSA-N 1 2 423.416 3.690 20 5 HHBDLO Cc1c(C[NH+]2CCN([C@@H](C)c3nc(-c4cccs4)no3)CC2)cccc1[N+](=O)[O-] ZINC000497365048 1001313106 /nfs/dbraw/zinc/31/31/06/1001313106.db2.gz HIFZRIMXDIIDTP-HNNXBMFYSA-N 1 2 413.503 3.894 20 5 HHBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000497753594 1001504508 /nfs/dbraw/zinc/50/45/08/1001504508.db2.gz RIFLCUHOPQHONP-INIZCTEOSA-N 1 2 421.457 3.554 20 5 HHBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000497753594 1001504509 /nfs/dbraw/zinc/50/45/09/1001504509.db2.gz RIFLCUHOPQHONP-INIZCTEOSA-N 1 2 421.457 3.554 20 5 HHBDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000498876768 1002263558 /nfs/dbraw/zinc/26/35/58/1002263558.db2.gz XHCSLAYDWAGVBG-MSOLQXFVSA-N 1 2 424.284 3.703 20 5 HHBDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000498876768 1002263568 /nfs/dbraw/zinc/26/35/68/1002263568.db2.gz XHCSLAYDWAGVBG-MSOLQXFVSA-N 1 2 424.284 3.703 20 5 HHBDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(n3cncn3)CC2)c([N+](=O)[O-])c1 ZINC000499056943 1002439025 /nfs/dbraw/zinc/43/90/25/1002439025.db2.gz PVBOVUMIFKBMGK-OAQYLSRUSA-N 1 2 420.473 3.512 20 5 HHBDLO Cc1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000499153842 1002538000 /nfs/dbraw/zinc/53/80/00/1002538000.db2.gz HTHRVZKZINPRMD-RBUKOAKNSA-N 1 2 418.881 3.750 20 5 HHBDLO Cc1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000499153842 1002538007 /nfs/dbraw/zinc/53/80/07/1002538007.db2.gz HTHRVZKZINPRMD-RBUKOAKNSA-N 1 2 418.881 3.750 20 5 HHBDLO C[C@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000499953227 1003274192 /nfs/dbraw/zinc/27/41/92/1003274192.db2.gz KQQTVRZPWWJBJB-BJOHPYRUSA-N 1 2 416.236 3.691 20 5 HHBDLO C[C@@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000499953228 1003274300 /nfs/dbraw/zinc/27/43/00/1003274300.db2.gz KQQTVRZPWWJBJB-PSLIRLAXSA-N 1 2 416.236 3.691 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000500049145 1003384116 /nfs/dbraw/zinc/38/41/16/1003384116.db2.gz RMHHKTDPNVTCOM-QGZVFWFLSA-N 1 2 412.490 3.611 20 5 HHBDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000512070778 1003999739 /nfs/dbraw/zinc/99/97/39/1003999739.db2.gz HJYGHHIOVLFCEY-GQIGUUNPSA-N 1 2 416.547 3.792 20 5 HHBDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000512070778 1003999751 /nfs/dbraw/zinc/99/97/51/1003999751.db2.gz HJYGHHIOVLFCEY-GQIGUUNPSA-N 1 2 416.547 3.792 20 5 HHBDLO O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000512197346 1004098454 /nfs/dbraw/zinc/09/84/54/1004098454.db2.gz PESADJQJLDJIHD-APWZRJJASA-N 1 2 406.442 3.678 20 5 HHBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000510723966 1004817738 /nfs/dbraw/zinc/81/77/38/1004817738.db2.gz UUBGQEZRAQHODY-IVZQSRNASA-N 1 2 406.442 3.880 20 5 HHBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000510723966 1004817743 /nfs/dbraw/zinc/81/77/43/1004817743.db2.gz UUBGQEZRAQHODY-IVZQSRNASA-N 1 2 406.442 3.880 20 5 HHBDLO C[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2sccc2C1 ZINC000513684886 1005081515 /nfs/dbraw/zinc/08/15/15/1005081515.db2.gz VUXJYPAHCCJVJB-QRWLVFNGSA-N 1 2 411.531 3.516 20 5 HHBDLO C[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2sccc2C1 ZINC000513684886 1005081520 /nfs/dbraw/zinc/08/15/20/1005081520.db2.gz VUXJYPAHCCJVJB-QRWLVFNGSA-N 1 2 411.531 3.516 20 5 HHBDLO CC(C)([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)NCC1CCCCC1 ZINC000502741576 1005197522 /nfs/dbraw/zinc/19/75/22/1005197522.db2.gz VVEQLDCGJNQTBE-UHFFFAOYSA-N 1 2 400.479 3.815 20 5 HHBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513996877 1005220306 /nfs/dbraw/zinc/22/03/06/1005220306.db2.gz MQFNUAPXVZIZEP-UZLBHIALSA-N 1 2 401.894 3.990 20 5 HHBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513997845 1005220774 /nfs/dbraw/zinc/22/07/74/1005220774.db2.gz WMWQSNQFOQWZMX-WBMJQRKESA-N 1 2 424.284 3.842 20 5 HHBDLO CN(C)[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000514099884 1005265271 /nfs/dbraw/zinc/26/52/71/1005265271.db2.gz RYUFZIXLWIUJQG-VQTJNVASSA-N 1 2 413.909 3.964 20 5 HHBDLO CN(C)[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000514099883 1005265352 /nfs/dbraw/zinc/26/53/52/1005265352.db2.gz RYUFZIXLWIUJQG-UXHICEINSA-N 1 2 413.909 3.964 20 5 HHBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000511785054 1005326839 /nfs/dbraw/zinc/32/68/39/1005326839.db2.gz MFZPVROUYOYDGL-PMACEKPBSA-N 1 2 418.444 3.502 20 5 HHBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000511785054 1005326843 /nfs/dbraw/zinc/32/68/43/1005326843.db2.gz MFZPVROUYOYDGL-PMACEKPBSA-N 1 2 418.444 3.502 20 5 HHBDLO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000503059976 1005331771 /nfs/dbraw/zinc/33/17/71/1005331771.db2.gz HNLNLRZEYOUWET-LJQANCHMSA-N 1 2 417.531 3.762 20 5 HHBDLO CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000503059976 1005331777 /nfs/dbraw/zinc/33/17/77/1005331777.db2.gz HNLNLRZEYOUWET-LJQANCHMSA-N 1 2 417.531 3.762 20 5 HHBDLO COCC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccc2c(c1)OCO2 ZINC000534122380 1006096657 /nfs/dbraw/zinc/09/66/57/1006096657.db2.gz JSVKGAFEFVETDN-UHFFFAOYSA-N 1 2 411.414 3.627 20 5 HHBDLO COCC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccc2c(c1)OCO2 ZINC000534122380 1006096671 /nfs/dbraw/zinc/09/66/71/1006096671.db2.gz JSVKGAFEFVETDN-UHFFFAOYSA-N 1 2 411.414 3.627 20 5 HHBDLO CCc1nnc([C@@H](C)[NH2+]Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)[nH]1 ZINC000534241669 1006248389 /nfs/dbraw/zinc/24/83/89/1006248389.db2.gz NJXTYCCEDWQPGE-CQSZACIVSA-N 1 2 411.462 3.714 20 5 HHBDLO O=C(Cc1ccco1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000531692136 1006357015 /nfs/dbraw/zinc/35/70/15/1006357015.db2.gz RBOVUXSLCHTVMP-UHFFFAOYSA-N 1 2 411.483 3.803 20 5 HHBDLO C[C@@H](Nc1ccc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000534467423 1006452512 /nfs/dbraw/zinc/45/25/12/1006452512.db2.gz JKINYWSBSGNDHC-WBVHZDCISA-N 1 2 420.473 3.526 20 5 HHBDLO COc1ccc(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1[N+](=O)[O-] ZINC000534598896 1006579951 /nfs/dbraw/zinc/57/99/51/1006579951.db2.gz IYWRQFONLAOYGH-UHFFFAOYSA-N 1 2 419.441 3.840 20 5 HHBDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nn1-c1cccc(F)c1 ZINC000538433869 1006699807 /nfs/dbraw/zinc/69/98/07/1006699807.db2.gz BICSJFJLHDAFQJ-UHFFFAOYSA-N 1 2 406.377 3.666 20 5 HHBDLO Cn1c2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cc2nc1C1CC1 ZINC000534849340 1006870269 /nfs/dbraw/zinc/87/02/69/1006870269.db2.gz NLQZRUNMHUNLOR-UHFFFAOYSA-N 1 2 402.414 3.797 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC=C(c4ccc5c(c4)OCCO5)CC3)o2)cc1 ZINC000538948962 1007235756 /nfs/dbraw/zinc/23/57/56/1007235756.db2.gz OBJQREHVRQGOHK-UHFFFAOYSA-N 1 2 420.425 3.705 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC=C(c4ccc5c(c4)OCCO5)CC3)o2)cc1 ZINC000538948962 1007235763 /nfs/dbraw/zinc/23/57/63/1007235763.db2.gz OBJQREHVRQGOHK-UHFFFAOYSA-N 1 2 420.425 3.705 20 5 HHBDLO COc1ccc(OC2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000532919476 1007291498 /nfs/dbraw/zinc/29/14/98/1007291498.db2.gz CELARACLJHBWFE-MRXNPFEDSA-N 1 2 413.474 3.782 20 5 HHBDLO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(SC)cc1OC ZINC000532970909 1007338545 /nfs/dbraw/zinc/33/85/45/1007338545.db2.gz APIYDBVTHLUMMV-ZDUSSCGKSA-N 1 2 419.503 3.793 20 5 HHBDLO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(SC)cc1OC ZINC000532970909 1007338561 /nfs/dbraw/zinc/33/85/61/1007338561.db2.gz APIYDBVTHLUMMV-ZDUSSCGKSA-N 1 2 419.503 3.793 20 5 HHBDLO CN(CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1ccccc1[N+](=O)[O-] ZINC000535289759 1007339510 /nfs/dbraw/zinc/33/95/10/1007339510.db2.gz RUAQTXIZMPJRLO-UHFFFAOYSA-N 1 2 403.442 3.585 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539128844 1007421179 /nfs/dbraw/zinc/42/11/79/1007421179.db2.gz ZRYHRUOJCUCFHQ-YJBOKZPZSA-N 1 2 406.845 3.535 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539128844 1007421185 /nfs/dbraw/zinc/42/11/85/1007421185.db2.gz ZRYHRUOJCUCFHQ-YJBOKZPZSA-N 1 2 406.845 3.535 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000539133764 1007428418 /nfs/dbraw/zinc/42/84/18/1007428418.db2.gz SUGPNEZWGVJMAB-YLJYHZDGSA-N 1 2 405.857 3.882 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000539133764 1007428423 /nfs/dbraw/zinc/42/84/23/1007428423.db2.gz SUGPNEZWGVJMAB-YLJYHZDGSA-N 1 2 405.857 3.882 20 5 HHBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533173757 1007517232 /nfs/dbraw/zinc/51/72/32/1007517232.db2.gz PIDHSAUZJZOFKQ-IEBWSBKVSA-N 1 2 420.872 3.974 20 5 HHBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533173757 1007517237 /nfs/dbraw/zinc/51/72/37/1007517237.db2.gz PIDHSAUZJZOFKQ-IEBWSBKVSA-N 1 2 420.872 3.974 20 5 HHBDLO O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000533343735 1007650949 /nfs/dbraw/zinc/65/09/49/1007650949.db2.gz CXLNBOMZTBFPNI-MRXNPFEDSA-N 1 2 412.277 3.591 20 5 HHBDLO O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000533343735 1007650957 /nfs/dbraw/zinc/65/09/57/1007650957.db2.gz CXLNBOMZTBFPNI-MRXNPFEDSA-N 1 2 412.277 3.591 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(OCC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000533427704 1007738110 /nfs/dbraw/zinc/73/81/10/1007738110.db2.gz YYZPFWPXHCWIJZ-INIZCTEOSA-N 1 2 419.522 3.992 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000533483031 1007791782 /nfs/dbraw/zinc/79/17/82/1007791782.db2.gz UMFPJRJFMKSXEF-UHFFFAOYSA-N 1 2 401.438 3.636 20 5 HHBDLO C[C@@H](Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000533789623 1008112772 /nfs/dbraw/zinc/11/27/72/1008112772.db2.gz UGRFWXPILWJEFR-OAHLLOKOSA-N 1 2 403.442 3.949 20 5 HHBDLO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H](C)CS(C)(=O)=O ZINC000539839544 1008131169 /nfs/dbraw/zinc/13/11/69/1008131169.db2.gz LORLVSBWVSBJKB-LBPRGKRZSA-N 1 2 400.884 3.763 20 5 HHBDLO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H](C)CS(C)(=O)=O ZINC000539839544 1008131171 /nfs/dbraw/zinc/13/11/71/1008131171.db2.gz LORLVSBWVSBJKB-LBPRGKRZSA-N 1 2 400.884 3.763 20 5 HHBDLO Cc1ccsc1-c1nnc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)o1 ZINC000533874065 1008173244 /nfs/dbraw/zinc/17/32/44/1008173244.db2.gz GZBXVOSCDGMARA-UHFFFAOYSA-N 1 2 415.475 3.864 20 5 HHBDLO Cc1ccsc1-c1nnc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)o1 ZINC000533874065 1008173245 /nfs/dbraw/zinc/17/32/45/1008173245.db2.gz GZBXVOSCDGMARA-UHFFFAOYSA-N 1 2 415.475 3.864 20 5 HHBDLO COc1cc(C[NH+]2CCC(Oc3cc(C)ccn3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000542978604 1008554319 /nfs/dbraw/zinc/55/43/19/1008554319.db2.gz FIQYLKLCPDYPMD-UHFFFAOYSA-N 1 2 423.416 3.952 20 5 HHBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000543208009 1008778369 /nfs/dbraw/zinc/77/83/69/1008778369.db2.gz IPTYOSBINDEKKJ-IEBWSBKVSA-N 1 2 424.457 3.612 20 5 HHBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000543208009 1008778378 /nfs/dbraw/zinc/77/83/78/1008778378.db2.gz IPTYOSBINDEKKJ-IEBWSBKVSA-N 1 2 424.457 3.612 20 5 HHBDLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cs1 ZINC000543503532 1009093029 /nfs/dbraw/zinc/09/30/29/1009093029.db2.gz CCQRALRZIFGYSB-SECBINFHSA-N 1 2 413.297 3.666 20 5 HHBDLO COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)[C@@H]2C ZINC000543786803 1009356069 /nfs/dbraw/zinc/35/60/69/1009356069.db2.gz RWOGMWCYSMUGRJ-HUUCEWRRSA-N 1 2 406.442 3.937 20 5 HHBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCN(c2ccccc2F)C1=O ZINC000549844947 1009460114 /nfs/dbraw/zinc/46/01/14/1009460114.db2.gz DVAAGLHGKCSQQL-KRWDZBQOSA-N 1 2 411.355 3.990 20 5 HHBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCN(c2ccccc2F)C1=O ZINC000549844947 1009460121 /nfs/dbraw/zinc/46/01/21/1009460121.db2.gz DVAAGLHGKCSQQL-KRWDZBQOSA-N 1 2 411.355 3.990 20 5 HHBDLO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(-n2cccn2)c(F)c1 ZINC000549902074 1009522521 /nfs/dbraw/zinc/52/25/21/1009522521.db2.gz PAUITKNZGSHXPA-ZDUSSCGKSA-N 1 2 408.393 3.820 20 5 HHBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](O)CC1 ZINC000550157601 1009739965 /nfs/dbraw/zinc/73/99/65/1009739965.db2.gz ARNZJZHVWBGWTC-LPHOPBHVSA-N 1 2 403.866 3.775 20 5 HHBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)[N@H+]1CCC[C@H](O)CC1 ZINC000550157601 1009739977 /nfs/dbraw/zinc/73/99/77/1009739977.db2.gz ARNZJZHVWBGWTC-LPHOPBHVSA-N 1 2 403.866 3.775 20 5 HHBDLO COc1ccc(C2(CNC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CCC2)cc1 ZINC000544163978 1009769524 /nfs/dbraw/zinc/76/95/24/1009769524.db2.gz BORGZYAFNCHIDA-UHFFFAOYSA-N 1 2 406.442 3.641 20 5 HHBDLO Cn1c[nH+]cc1CCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000544366701 1009994723 /nfs/dbraw/zinc/99/47/23/1009994723.db2.gz TUCYGUFBMSWJJG-UHFFFAOYSA-N 1 2 400.822 3.747 20 5 HHBDLO CC[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000544458669 1010081809 /nfs/dbraw/zinc/08/18/09/1010081809.db2.gz RHQLTXNPHMQNJV-LBPRGKRZSA-N 1 2 402.398 3.774 20 5 HHBDLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 ZINC000544519309 1010146731 /nfs/dbraw/zinc/14/67/31/1010146731.db2.gz MHAZJCDWAWMMRX-NSHDSACASA-N 1 2 403.489 3.773 20 5 HHBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000547241899 1010187085 /nfs/dbraw/zinc/18/70/85/1010187085.db2.gz BFWNBGBELHRCQC-UHFFFAOYSA-N 1 2 415.465 3.791 20 5 HHBDLO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000544657217 1010278173 /nfs/dbraw/zinc/27/81/73/1010278173.db2.gz QDBKRDWADASMFA-BKOMCJNNSA-N 1 2 407.392 3.677 20 5 HHBDLO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000544657217 1010278182 /nfs/dbraw/zinc/27/81/82/1010278182.db2.gz QDBKRDWADASMFA-BKOMCJNNSA-N 1 2 407.392 3.677 20 5 HHBDLO Cc1cc(Br)cn2cc(CCNC(=O)Nc3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000544704647 1010314359 /nfs/dbraw/zinc/31/43/59/1010314359.db2.gz REFSBFSTCBKYID-UHFFFAOYSA-N 1 2 418.251 3.678 20 5 HHBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000544767505 1010366380 /nfs/dbraw/zinc/36/63/80/1010366380.db2.gz DTAVZGKOMFWGOD-UHFFFAOYSA-N 1 2 415.519 3.548 20 5 HHBDLO COc1cccc(C2CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CC2)c1 ZINC000547723284 1010402387 /nfs/dbraw/zinc/40/23/87/1010402387.db2.gz SCHFXYSFTGULLI-UHFFFAOYSA-N 1 2 406.442 3.809 20 5 HHBDLO COc1cc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)cc([N+](=O)[O-])c1OC ZINC000544959954 1010520834 /nfs/dbraw/zinc/52/08/34/1010520834.db2.gz CBCANWWWEJSJHZ-UHFFFAOYSA-N 1 2 407.386 3.574 20 5 HHBDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC[C@H](C)CC)cc2[N+](=O)[O-])C1 ZINC000522026755 1010763264 /nfs/dbraw/zinc/76/32/64/1010763264.db2.gz JBIRFSUYEXLYSE-WBVHZDCISA-N 1 2 407.511 3.519 20 5 HHBDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2cc(OC)c(OC[C@H](C)CC)cc2[N+](=O)[O-])C1 ZINC000522026755 1010763270 /nfs/dbraw/zinc/76/32/70/1010763270.db2.gz JBIRFSUYEXLYSE-WBVHZDCISA-N 1 2 407.511 3.519 20 5 HHBDLO O=C(c1cccc(Cl)c1Cl)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000522268283 1010896699 /nfs/dbraw/zinc/89/66/99/1010896699.db2.gz VIQBCKWOFYWLKP-UHFFFAOYSA-N 1 2 408.285 3.902 20 5 HHBDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000522709292 1011171336 /nfs/dbraw/zinc/17/13/36/1011171336.db2.gz DYYDIGUFJFNLGL-UHFFFAOYSA-N 1 2 414.462 3.619 20 5 HHBDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000522709292 1011171340 /nfs/dbraw/zinc/17/13/40/1011171340.db2.gz DYYDIGUFJFNLGL-UHFFFAOYSA-N 1 2 414.462 3.619 20 5 HHBDLO C[C@H](Nc1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000523048820 1011517966 /nfs/dbraw/zinc/51/79/66/1011517966.db2.gz FWVNWVRPYHJHTJ-HNNXBMFYSA-N 1 2 420.473 3.906 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541108309 1011755449 /nfs/dbraw/zinc/75/54/49/1011755449.db2.gz GXNZUWZLTXXVSW-HKUYNNGSSA-N 1 2 422.407 3.647 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541108309 1011755465 /nfs/dbraw/zinc/75/54/65/1011755465.db2.gz GXNZUWZLTXXVSW-HKUYNNGSSA-N 1 2 422.407 3.647 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541108310 1011755611 /nfs/dbraw/zinc/75/56/11/1011755611.db2.gz GXNZUWZLTXXVSW-IEBWSBKVSA-N 1 2 422.407 3.647 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541108310 1011755623 /nfs/dbraw/zinc/75/56/23/1011755623.db2.gz GXNZUWZLTXXVSW-IEBWSBKVSA-N 1 2 422.407 3.647 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541163961 1011830101 /nfs/dbraw/zinc/83/01/01/1011830101.db2.gz BCILWTIEFRDELD-YLJYHZDGSA-N 1 2 407.392 3.506 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541163961 1011830112 /nfs/dbraw/zinc/83/01/12/1011830112.db2.gz BCILWTIEFRDELD-YLJYHZDGSA-N 1 2 407.392 3.506 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC=C(c4ccc5c(c4)OCCO5)CC3)n2)cc1 ZINC000536708278 1011879829 /nfs/dbraw/zinc/87/98/29/1011879829.db2.gz QNNZSLWJTSOSNA-UHFFFAOYSA-N 1 2 420.425 3.705 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC=C(c4ccc5c(c4)OCCO5)CC3)n2)cc1 ZINC000536708278 1011879846 /nfs/dbraw/zinc/87/98/46/1011879846.db2.gz QNNZSLWJTSOSNA-UHFFFAOYSA-N 1 2 420.425 3.705 20 5 HHBDLO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000523424339 1011911764 /nfs/dbraw/zinc/91/17/64/1011911764.db2.gz SKVPJEHRVLAYNL-UHFFFAOYSA-N 1 2 424.526 3.704 20 5 HHBDLO CCOc1cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c([N+](=O)[O-])cc1OC ZINC000541236960 1011913802 /nfs/dbraw/zinc/91/38/02/1011913802.db2.gz DHAMNCWUIVJPRS-UHFFFAOYSA-N 1 2 416.478 3.531 20 5 HHBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000536808371 1012032800 /nfs/dbraw/zinc/03/28/00/1012032800.db2.gz YNIFCCNGCHDJCW-UHFFFAOYSA-N 1 2 407.474 3.710 20 5 HHBDLO COc1ccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1[N+](=O)[O-] ZINC000542029964 1012926662 /nfs/dbraw/zinc/92/66/62/1012926662.db2.gz FHXDHTWWTDOMNW-CQSZACIVSA-N 1 2 420.416 3.668 20 5 HHBDLO COc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1[N+](=O)[O-] ZINC000542029964 1012926671 /nfs/dbraw/zinc/92/66/71/1012926671.db2.gz FHXDHTWWTDOMNW-CQSZACIVSA-N 1 2 420.416 3.668 20 5 HHBDLO CO[C@]1(C(F)(F)F)CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000614924938 1071988911 /nfs/dbraw/zinc/98/89/11/1071988911.db2.gz PNBCGBVHRAPXGQ-MEDUHNTESA-N 1 2 400.357 3.749 20 5 HHBDLO CO[C@]1(C(F)(F)F)CCC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000614924938 1071988917 /nfs/dbraw/zinc/98/89/17/1071988917.db2.gz PNBCGBVHRAPXGQ-MEDUHNTESA-N 1 2 400.357 3.749 20 5 HHBDLO O=C(Nc1ccc([S@@](=O)C(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001126760065 1072063657 /nfs/dbraw/zinc/06/36/57/1072063657.db2.gz JPMSLYCYMTXKIB-GDLZYMKVSA-N 1 2 424.360 3.660 20 5 HHBDLO Cn1cc(C[N@H+](C)Cc2nc(-c3cccs3)no2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000574320227 1075219887 /nfs/dbraw/zinc/21/98/87/1075219887.db2.gz LFOUYNSHLSVYCD-UHFFFAOYSA-N 1 2 410.459 3.739 20 5 HHBDLO Cn1cc(C[N@@H+](C)Cc2nc(-c3cccs3)no2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000574320227 1075219890 /nfs/dbraw/zinc/21/98/90/1075219890.db2.gz LFOUYNSHLSVYCD-UHFFFAOYSA-N 1 2 410.459 3.739 20 5 HHBDLO O=[N+]([O-])c1cnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c(Br)c1 ZINC000301556597 970979227 /nfs/dbraw/zinc/97/92/27/970979227.db2.gz SLGKEUNCIONQBW-UHFFFAOYSA-N 1 2 409.259 3.604 20 5 HHBDLO O=[N+]([O-])c1cnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c(Br)c1 ZINC000301556597 970979232 /nfs/dbraw/zinc/97/92/32/970979232.db2.gz SLGKEUNCIONQBW-UHFFFAOYSA-N 1 2 409.259 3.604 20 5 HHBDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000301899416 971106144 /nfs/dbraw/zinc/10/61/44/971106144.db2.gz TUQAJTFWLXAZOR-ROUUACIJSA-N 1 2 406.826 3.640 20 5 HHBDLO C[N@H+]1CCO[C@H]([C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000301899416 971106148 /nfs/dbraw/zinc/10/61/48/971106148.db2.gz TUQAJTFWLXAZOR-ROUUACIJSA-N 1 2 406.826 3.640 20 5 HHBDLO CC1CC[NH+]([C@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000301925958 971119120 /nfs/dbraw/zinc/11/91/20/971119120.db2.gz HDIGZUDZFSKPMN-QGZVFWFLSA-N 1 2 423.560 3.945 20 5 HHBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000302187734 971201982 /nfs/dbraw/zinc/20/19/82/971201982.db2.gz QAWIJTSQGKCQPH-OALUTQOASA-N 1 2 419.865 3.519 20 5 HHBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000302187734 971201988 /nfs/dbraw/zinc/20/19/88/971201988.db2.gz QAWIJTSQGKCQPH-OALUTQOASA-N 1 2 419.865 3.519 20 5 HHBDLO COc1ccc([C@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(OC)c1 ZINC000302664512 971274792 /nfs/dbraw/zinc/27/47/92/971274792.db2.gz MOCRNCNOFQNBPS-GOSISDBHSA-N 1 2 422.441 3.775 20 5 HHBDLO COc1ccc([C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(OC)c1 ZINC000302664513 971274975 /nfs/dbraw/zinc/27/49/75/971274975.db2.gz MOCRNCNOFQNBPS-SFHVURJKSA-N 1 2 422.441 3.775 20 5 HHBDLO C[N@@H+]1CCO[C@H]([C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)c2ccc(Cl)cc2)C1 ZINC000553116298 1013079676 /nfs/dbraw/zinc/07/96/76/1013079676.db2.gz SJIDUEAEVWSHNK-GOEBONIOSA-N 1 2 419.894 3.737 20 5 HHBDLO C[N@H+]1CCO[C@H]([C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)c2ccc(Cl)cc2)C1 ZINC000553116298 1013079692 /nfs/dbraw/zinc/07/96/92/1013079692.db2.gz SJIDUEAEVWSHNK-GOEBONIOSA-N 1 2 419.894 3.737 20 5 HHBDLO CCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000303102214 971504500 /nfs/dbraw/zinc/50/45/00/971504500.db2.gz LOABBHJDPXYXEL-MRXNPFEDSA-N 1 2 421.457 3.660 20 5 HHBDLO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542165742 1013101565 /nfs/dbraw/zinc/10/15/65/1013101565.db2.gz IGCGOIZZEIHNNQ-UHFFFAOYSA-N 1 2 408.405 3.725 20 5 HHBDLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000303761179 972010813 /nfs/dbraw/zinc/01/08/13/972010813.db2.gz OKKOFQFJNBAHIP-MRXNPFEDSA-N 1 2 410.405 3.879 20 5 HHBDLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000303761179 972010821 /nfs/dbraw/zinc/01/08/21/972010821.db2.gz OKKOFQFJNBAHIP-MRXNPFEDSA-N 1 2 410.405 3.879 20 5 HHBDLO Cc1cccc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1[N+](=O)[O-] ZINC000012393084 962275078 /nfs/dbraw/zinc/27/50/78/962275078.db2.gz REJRUWCGZXTNBO-UHFFFAOYSA-N 1 2 407.392 3.880 20 5 HHBDLO CCc1ccc([C@@H]([NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542481717 1013430097 /nfs/dbraw/zinc/43/00/97/1013430097.db2.gz APVWJVRRXQSELL-GMAHTHKFSA-N 1 2 414.550 3.701 20 5 HHBDLO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000022317724 963632966 /nfs/dbraw/zinc/63/29/66/963632966.db2.gz ZJPUDCJSGWUANV-UHFFFAOYSA-N 1 2 400.788 3.984 20 5 HHBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])c1 ZINC000024662793 964043346 /nfs/dbraw/zinc/04/33/46/964043346.db2.gz RHLNAPQAYYDHGL-AWEZNQCLSA-N 1 2 410.430 3.563 20 5 HHBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])c1 ZINC000024662793 964043363 /nfs/dbraw/zinc/04/33/63/964043363.db2.gz RHLNAPQAYYDHGL-AWEZNQCLSA-N 1 2 410.430 3.563 20 5 HHBDLO CCOc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)c([N+](=O)[O-])c1 ZINC000025416791 964266625 /nfs/dbraw/zinc/26/66/25/964266625.db2.gz LIRBDBNRWKRCOH-QFIPXVFZSA-N 1 2 406.442 3.706 20 5 HHBDLO Cc1c([C@H](C)[NH2+][C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cnn1C ZINC000542585778 1013526190 /nfs/dbraw/zinc/52/61/90/1013526190.db2.gz FLUTVUKARNTQHJ-BTYIYWSLSA-N 1 2 407.474 3.976 20 5 HHBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2)CC1 ZINC000057273892 965380196 /nfs/dbraw/zinc/38/01/96/965380196.db2.gz IAFRFGWBNHMIBH-UHFFFAOYSA-N 1 2 410.499 3.809 20 5 HHBDLO Cn1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054114689 965385569 /nfs/dbraw/zinc/38/55/69/965385569.db2.gz QWDIIEXLXLDDMG-UHFFFAOYSA-N 1 2 406.377 3.572 20 5 HHBDLO CC1CCN(c2ccc(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)cc2[N+](=O)[O-])CC1 ZINC000029554872 965411826 /nfs/dbraw/zinc/41/18/26/965411826.db2.gz PYSIIILXGRAFPE-UHFFFAOYSA-N 1 2 423.517 3.756 20 5 HHBDLO CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000054194407 965416019 /nfs/dbraw/zinc/41/60/19/965416019.db2.gz PJZZWIFGKOCUBP-CQSZACIVSA-N 1 2 407.430 3.561 20 5 HHBDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000029685446 965457778 /nfs/dbraw/zinc/45/77/78/965457778.db2.gz XRXBIYWFDGETKR-OAHLLOKOSA-N 1 2 417.893 3.994 20 5 HHBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000054433921 965515704 /nfs/dbraw/zinc/51/57/04/965515704.db2.gz KRGWDEPRYSZBKN-IAGOWNOFSA-N 1 2 412.490 3.568 20 5 HHBDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000060442563 966146022 /nfs/dbraw/zinc/14/60/22/966146022.db2.gz CRUITQDNEKGYBU-UHFFFAOYSA-N 1 2 414.487 3.984 20 5 HHBDLO O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032056556 966184412 /nfs/dbraw/zinc/18/44/12/966184412.db2.gz IUMOWYMUOKUYLQ-UHFFFAOYSA-N 1 2 406.320 3.609 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000032246071 966205406 /nfs/dbraw/zinc/20/54/06/966205406.db2.gz AVAYUKZWZYCUGC-INIZCTEOSA-N 1 2 417.425 3.942 20 5 HHBDLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000063657022 966919606 /nfs/dbraw/zinc/91/96/06/966919606.db2.gz HGCAYGKLMCWTBF-UHFFFAOYSA-N 1 2 407.430 3.697 20 5 HHBDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000045294162 967406711 /nfs/dbraw/zinc/40/67/11/967406711.db2.gz OORRITLNKRFBJS-UHFFFAOYSA-N 1 2 408.458 3.923 20 5 HHBDLO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)[NH+]2CCOCC2)cc1 ZINC000046230331 967702979 /nfs/dbraw/zinc/70/29/79/967702979.db2.gz CVOQEYASHQWPLP-QFIPXVFZSA-N 1 2 408.458 3.637 20 5 HHBDLO COc1ccc2[nH]cc(C3=CC[N@H+](CC(=O)Nc4ccccc4[N+](=O)[O-])CC3)c2c1 ZINC000047257327 968106402 /nfs/dbraw/zinc/10/64/02/968106402.db2.gz PIZXYUNOFSSOOH-UHFFFAOYSA-N 1 2 406.442 3.813 20 5 HHBDLO COc1ccc2[nH]cc(C3=CC[N@@H+](CC(=O)Nc4ccccc4[N+](=O)[O-])CC3)c2c1 ZINC000047257327 968106408 /nfs/dbraw/zinc/10/64/08/968106408.db2.gz PIZXYUNOFSSOOH-UHFFFAOYSA-N 1 2 406.442 3.813 20 5 HHBDLO CCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000554044480 1013771391 /nfs/dbraw/zinc/77/13/91/1013771391.db2.gz RFKRAZRSNBGXRS-DOTOQJQBSA-N 1 2 423.876 3.627 20 5 HHBDLO CCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000554044480 1013771400 /nfs/dbraw/zinc/77/14/00/1013771400.db2.gz RFKRAZRSNBGXRS-DOTOQJQBSA-N 1 2 423.876 3.627 20 5 HHBDLO CCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000554044485 1013771656 /nfs/dbraw/zinc/77/16/56/1013771656.db2.gz RFKRAZRSNBGXRS-RDJZCZTQSA-N 1 2 423.876 3.627 20 5 HHBDLO CCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000554044485 1013771663 /nfs/dbraw/zinc/77/16/63/1013771663.db2.gz RFKRAZRSNBGXRS-RDJZCZTQSA-N 1 2 423.876 3.627 20 5 HHBDLO O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000538263443 1013804617 /nfs/dbraw/zinc/80/46/17/1013804617.db2.gz VDWSRAUSQHRDJO-QFBILLFUSA-N 1 2 412.833 3.694 20 5 HHBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)n2)C1 ZINC000065876562 968696010 /nfs/dbraw/zinc/69/60/10/968696010.db2.gz YDKHFBDIHLIOJQ-AWEZNQCLSA-N 1 2 413.503 3.877 20 5 HHBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)n2)C1 ZINC000065876562 968696017 /nfs/dbraw/zinc/69/60/17/968696017.db2.gz YDKHFBDIHLIOJQ-AWEZNQCLSA-N 1 2 413.503 3.877 20 5 HHBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)Cn2c3ccccc3[nH+]c2NCc2ccccc2)c1 ZINC000096948530 969060215 /nfs/dbraw/zinc/06/02/15/969060215.db2.gz WQKBJGCWCCYMEV-IBGZPJMESA-N 1 2 418.453 3.997 20 5 HHBDLO O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000110277227 969646467 /nfs/dbraw/zinc/64/64/67/969646467.db2.gz JDXNRCZCIMKFGN-UHFFFAOYSA-N 1 2 415.413 3.695 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000216988528 970082333 /nfs/dbraw/zinc/08/23/33/970082333.db2.gz RKZCTCQEAWJICO-UHFFFAOYSA-N 1 2 409.490 3.875 20 5 HHBDLO O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000145049221 970250562 /nfs/dbraw/zinc/25/05/62/970250562.db2.gz FHBSZDMRVQUAQD-WIYYLYMNSA-N 1 2 406.442 3.678 20 5 HHBDLO C[C@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc([N+](=O)[O-])cc1F ZINC000410272818 973789782 /nfs/dbraw/zinc/78/97/82/973789782.db2.gz NRNKLXJMYXVPQA-LSDHHAIUSA-N 1 2 400.454 3.776 20 5 HHBDLO C[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000426270312 974360141 /nfs/dbraw/zinc/36/01/41/974360141.db2.gz HYYGYXCYVHZZSU-LRDDRELGSA-N 1 2 411.384 3.603 20 5 HHBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CCO1 ZINC000428060705 975411697 /nfs/dbraw/zinc/41/16/97/975411697.db2.gz UNBYCWHEZKFEED-GOSISDBHSA-N 1 2 415.515 3.587 20 5 HHBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CCO1 ZINC000428060705 975411703 /nfs/dbraw/zinc/41/17/03/975411703.db2.gz UNBYCWHEZKFEED-GOSISDBHSA-N 1 2 415.515 3.587 20 5 HHBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000429202645 976495801 /nfs/dbraw/zinc/49/58/01/976495801.db2.gz JONQQJJDBGXOKZ-UHFFFAOYSA-N 1 2 420.469 3.692 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430435981 977547932 /nfs/dbraw/zinc/54/79/32/977547932.db2.gz CLZDJDIOMIRXSW-HXUWFJFHSA-N 1 2 420.469 3.644 20 5 HHBDLO CC(C)(NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000431198060 978088417 /nfs/dbraw/zinc/08/84/17/978088417.db2.gz MWHGPKIGMVSHQU-UHFFFAOYSA-N 1 2 409.446 3.927 20 5 HHBDLO C[C@H](CCSc1ccccc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000431624285 978393323 /nfs/dbraw/zinc/39/33/23/978393323.db2.gz VWTXGFXCRNGFCM-OAHLLOKOSA-N 1 2 405.545 3.985 20 5 HHBDLO CC(C)c1n[nH]c(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000433826987 979605174 /nfs/dbraw/zinc/60/51/74/979605174.db2.gz UWRPPIGCBCWRPP-AWEZNQCLSA-N 1 2 423.876 3.801 20 5 HHBDLO Cc1c(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435330789 980789521 /nfs/dbraw/zinc/78/95/21/980789521.db2.gz WGFOZAAPBMVSKB-NSHDSACASA-N 1 2 408.256 3.800 20 5 HHBDLO C[NH+](C)[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccco1 ZINC000435816748 981043434 /nfs/dbraw/zinc/04/34/34/981043434.db2.gz KPERHQMIGYGXID-GOSISDBHSA-N 1 2 411.408 3.585 20 5 HHBDLO O=C(COc1cccc([N+](=O)[O-])c1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000436015373 981156183 /nfs/dbraw/zinc/15/61/83/981156183.db2.gz HFEUCYRBXUMQSH-UHFFFAOYSA-N 1 2 414.849 3.553 20 5 HHBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000436020617 981160666 /nfs/dbraw/zinc/16/06/66/981160666.db2.gz QPTKGNLCMGWXEK-UHFFFAOYSA-N 1 2 402.813 3.926 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000436020621 981160679 /nfs/dbraw/zinc/16/06/79/981160679.db2.gz LOIYQBDVMWGVIA-UHFFFAOYSA-N 1 2 414.849 3.796 20 5 HHBDLO O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000436248456 981268081 /nfs/dbraw/zinc/26/80/81/981268081.db2.gz SPFMBCDOYVSABK-UHFFFAOYSA-N 1 2 408.408 3.702 20 5 HHBDLO CCOc1ccc(C[NH+]2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)cc1 ZINC000436269083 981277695 /nfs/dbraw/zinc/27/76/95/981277695.db2.gz WVDRXMYQPJPJOW-UHFFFAOYSA-N 1 2 410.396 3.730 20 5 HHBDLO COCC[N@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)Cc1cncs1 ZINC000448361681 981723370 /nfs/dbraw/zinc/72/33/70/981723370.db2.gz IPDDFUKFIVRRGC-UHFFFAOYSA-N 1 2 403.460 3.969 20 5 HHBDLO COCC[N@@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)Cc1cncs1 ZINC000448361681 981723373 /nfs/dbraw/zinc/72/33/73/981723373.db2.gz IPDDFUKFIVRRGC-UHFFFAOYSA-N 1 2 403.460 3.969 20 5 HHBDLO O=C(C[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000448433624 981775685 /nfs/dbraw/zinc/77/56/85/981775685.db2.gz NYOASGSYQASZEB-GOSISDBHSA-N 1 2 422.416 3.797 20 5 HHBDLO O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000437412644 982054784 /nfs/dbraw/zinc/05/47/84/982054784.db2.gz QSMKPYIZPIUVSL-CABCVRRESA-N 1 2 414.368 3.668 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000438668500 982987561 /nfs/dbraw/zinc/98/75/61/982987561.db2.gz NQKZCNNPJKYABI-QFIPXVFZSA-N 1 2 418.453 3.811 20 5 HHBDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000439775134 983533761 /nfs/dbraw/zinc/53/37/61/983533761.db2.gz MQASOKQUGLYNGA-KSFYIVLOSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000439775134 983533762 /nfs/dbraw/zinc/53/37/62/983533762.db2.gz MQASOKQUGLYNGA-KSFYIVLOSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000439787862 983539445 /nfs/dbraw/zinc/53/94/45/983539445.db2.gz LFKBGJMYHLIHPH-KSFYIVLOSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000439787862 983539447 /nfs/dbraw/zinc/53/94/47/983539447.db2.gz LFKBGJMYHLIHPH-KSFYIVLOSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000439787865 983539513 /nfs/dbraw/zinc/53/95/13/983539513.db2.gz LFKBGJMYHLIHPH-ZHRRBRCNSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000439787865 983539518 /nfs/dbraw/zinc/53/95/18/983539518.db2.gz LFKBGJMYHLIHPH-ZHRRBRCNSA-N 1 2 410.518 3.979 20 5 HHBDLO CCOC(=O)[C@H]1C[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)Cc2ccccc21 ZINC000441135371 984084269 /nfs/dbraw/zinc/08/42/69/984084269.db2.gz MRUXAVRJPXRSBQ-KUHUBIRLSA-N 1 2 422.441 3.868 20 5 HHBDLO CCOC(=O)[C@H]1C[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)Cc2ccccc21 ZINC000441135371 984084280 /nfs/dbraw/zinc/08/42/80/984084280.db2.gz MRUXAVRJPXRSBQ-KUHUBIRLSA-N 1 2 422.441 3.868 20 5 HHBDLO COc1cc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c([N+](=O)[O-])cc1OC ZINC000441501132 984289953 /nfs/dbraw/zinc/28/99/53/984289953.db2.gz RSKBYCVZACADCX-GOSISDBHSA-N 1 2 424.457 3.597 20 5 HHBDLO Cc1ccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1S(C)(=O)=O ZINC000444003570 986201442 /nfs/dbraw/zinc/20/14/42/986201442.db2.gz SZWIEUIGTQMQLG-UHFFFAOYSA-N 1 2 417.512 3.720 20 5 HHBDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000444166657 986342108 /nfs/dbraw/zinc/34/21/08/986342108.db2.gz JUAVJOMYQQAXIP-OAHLLOKOSA-N 1 2 402.882 3.566 20 5 HHBDLO C[C@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C[C@@H]1n1cc[nH+]c1 ZINC000444222563 986408945 /nfs/dbraw/zinc/40/89/45/986408945.db2.gz GPYWLGZEZWWVKS-DJJJIMSYSA-N 1 2 422.435 3.879 20 5 HHBDLO C[C@@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C[C@H]1n1cc[nH+]c1 ZINC000444227496 986414602 /nfs/dbraw/zinc/41/46/02/986414602.db2.gz QNYPYNOCMMATOP-ZUOKHONESA-N 1 2 422.435 3.879 20 5 HHBDLO Nc1c(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000468734643 986448423 /nfs/dbraw/zinc/44/84/23/986448423.db2.gz MFUPNVUQPZJXFW-MRXNPFEDSA-N 1 2 406.845 3.536 20 5 HHBDLO CCC(CC)[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[NH+]1CCOCC1 ZINC000444863424 987019307 /nfs/dbraw/zinc/01/93/07/987019307.db2.gz YMIFOKIYIGPBAI-QFIPXVFZSA-N 1 2 421.541 3.548 20 5 HHBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2)c1 ZINC000444918665 987065660 /nfs/dbraw/zinc/06/56/60/987065660.db2.gz HCWLLYLLKHWAHC-HNNXBMFYSA-N 1 2 414.462 3.523 20 5 HHBDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445191204 987269670 /nfs/dbraw/zinc/26/96/70/987269670.db2.gz XHRLCTVORFPILY-UHFFFAOYSA-N 1 2 413.477 3.766 20 5 HHBDLO CCOc1cc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1OCC ZINC000469715403 987369905 /nfs/dbraw/zinc/36/99/05/987369905.db2.gz NCSLZYYUBXPHSZ-YOEHRIQHSA-N 1 2 417.466 3.704 20 5 HHBDLO Cc1ccccc1-c1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n(C)n1 ZINC000470207501 988131649 /nfs/dbraw/zinc/13/16/49/988131649.db2.gz OMWFURFUNNBNTA-UHFFFAOYSA-N 1 2 402.414 3.742 20 5 HHBDLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(F)c1 ZINC000464782040 989009971 /nfs/dbraw/zinc/00/99/71/989009971.db2.gz VCHFBZQWNFLLNX-OAHLLOKOSA-N 1 2 401.438 3.913 20 5 HHBDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464783851 989013279 /nfs/dbraw/zinc/01/32/79/989013279.db2.gz RNVSLZAODHIMPK-MRXNPFEDSA-N 1 2 413.474 3.782 20 5 HHBDLO CSc1cccc(NC(=O)C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000464786533 989016908 /nfs/dbraw/zinc/01/69/08/989016908.db2.gz YFWFPXYYXBFESQ-UHFFFAOYSA-N 1 2 401.488 3.799 20 5 HHBDLO COCc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000467122058 992436235 /nfs/dbraw/zinc/43/62/35/992436235.db2.gz JKARXSHHTDNVEW-DYVFJYSZSA-N 1 2 403.435 3.507 20 5 HHBDLO COCc1ccc([C@@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000467122058 992436239 /nfs/dbraw/zinc/43/62/39/992436239.db2.gz JKARXSHHTDNVEW-DYVFJYSZSA-N 1 2 403.435 3.507 20 5 HHBDLO O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2cccc(N3CCOCC3)n2)c2ccccc2)c1 ZINC000480753193 993619744 /nfs/dbraw/zinc/61/97/44/993619744.db2.gz ATVQPFVSRFEIJE-HSZRJFAPSA-N 1 2 404.470 3.706 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOc2ccc(C(F)(F)F)cc21 ZINC000472884888 993811097 /nfs/dbraw/zinc/81/10/97/993811097.db2.gz SOAPOBOOGVTRHY-UHFFFAOYSA-N 1 2 418.331 3.839 20 5 HHBDLO CCOc1cc(N2CC[NH+]([C@H](C)c3cc(C)c(C(=O)OC)o3)CC2)ccc1[N+](=O)[O-] ZINC000481770671 994621651 /nfs/dbraw/zinc/62/16/51/994621651.db2.gz UITXSXHQXRPBGT-OAHLLOKOSA-N 1 2 417.462 3.565 20 5 HHBDLO O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000482502786 995512853 /nfs/dbraw/zinc/51/28/53/995512853.db2.gz DTANIVOEAUIGFE-MRXNPFEDSA-N 1 2 408.311 3.953 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)cc1OC ZINC000483198926 996032627 /nfs/dbraw/zinc/03/26/27/996032627.db2.gz MNLGWWCITMUKHQ-AOMKIAJQSA-N 1 2 422.522 3.798 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)cc1OC ZINC000483198926 996032632 /nfs/dbraw/zinc/03/26/32/996032632.db2.gz MNLGWWCITMUKHQ-AOMKIAJQSA-N 1 2 422.522 3.798 20 5 HHBDLO Cn1nccc1C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000475328491 996072632 /nfs/dbraw/zinc/07/26/32/996072632.db2.gz CAKYDBHUFPBQAN-UHFFFAOYSA-N 1 2 405.252 3.983 20 5 HHBDLO Cn1nccc1C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000475328491 996072638 /nfs/dbraw/zinc/07/26/38/996072638.db2.gz CAKYDBHUFPBQAN-UHFFFAOYSA-N 1 2 405.252 3.983 20 5 HHBDLO COC(=O)COc1ccc(C[NH2+][C@H](c2ccc(C)cc2)c2ccccn2)cc1[N+](=O)[O-] ZINC000475357069 996087258 /nfs/dbraw/zinc/08/72/58/996087258.db2.gz YGYZTYQWUNHMMO-HSZRJFAPSA-N 1 2 421.453 3.729 20 5 HHBDLO COC(=O)CC[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1cccc(Br)c1 ZINC000483443969 996183067 /nfs/dbraw/zinc/18/30/67/996183067.db2.gz SHWVXMQVVOUDMB-UHFFFAOYSA-N 1 2 413.293 3.984 20 5 HHBDLO COC(=O)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1cccc(Br)c1 ZINC000483443969 996183069 /nfs/dbraw/zinc/18/30/69/996183069.db2.gz SHWVXMQVVOUDMB-UHFFFAOYSA-N 1 2 413.293 3.984 20 5 HHBDLO O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000485616989 998064275 /nfs/dbraw/zinc/06/42/75/998064275.db2.gz YSSMPPVKRXKJTO-HNNXBMFYSA-N 1 2 404.348 3.856 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000485710497 998177432 /nfs/dbraw/zinc/17/74/32/998177432.db2.gz SWNKQESPUDBXSB-QGZVFWFLSA-N 1 2 406.486 3.832 20 5 HHBDLO O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000486353307 998725595 /nfs/dbraw/zinc/72/55/95/998725595.db2.gz LNKFQASVCMVMID-UHFFFAOYSA-N 1 2 418.453 3.531 20 5 HHBDLO COC(=O)c1cnc(NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000478270381 998855478 /nfs/dbraw/zinc/85/54/78/998855478.db2.gz ZHQPYMICEKURFL-INIZCTEOSA-N 1 2 422.844 3.818 20 5 HHBDLO O=C(NCCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000478937872 999213668 /nfs/dbraw/zinc/21/36/68/999213668.db2.gz ILCINMXDOWVQRR-UHFFFAOYSA-N 1 2 413.865 3.877 20 5 HHBDLO COC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000488150035 999393807 /nfs/dbraw/zinc/39/38/07/999393807.db2.gz ZBTJMRPHVJTLEY-INIZCTEOSA-N 1 2 400.822 3.551 20 5 HHBDLO COc1ccc([C@@H](NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C2CC2)cc1 ZINC000490049041 999884951 /nfs/dbraw/zinc/88/49/51/999884951.db2.gz VHDKKKXORIHHRL-QHCPKHFHSA-N 1 2 409.486 3.835 20 5 HHBDLO COc1ccc([C@@H](NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C2CC2)cc1 ZINC000490049041 999884952 /nfs/dbraw/zinc/88/49/52/999884952.db2.gz VHDKKKXORIHHRL-QHCPKHFHSA-N 1 2 409.486 3.835 20 5 HHBDLO COc1cc(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(OC)cc1Cl ZINC000490211516 999911491 /nfs/dbraw/zinc/91/14/91/999911491.db2.gz WTZRCMNIVCLBSR-UHFFFAOYSA-N 1 2 419.865 3.869 20 5 HHBDLO COc1cc(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(OC)cc1Cl ZINC000490211516 999911493 /nfs/dbraw/zinc/91/14/93/999911493.db2.gz WTZRCMNIVCLBSR-UHFFFAOYSA-N 1 2 419.865 3.869 20 5 HHBDLO Cc1cc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n(-c2ccc(F)cc2)n1 ZINC000490789495 1000006233 /nfs/dbraw/zinc/00/62/33/1000006233.db2.gz FCRKZEGDBPEBHU-UHFFFAOYSA-N 1 2 423.448 3.831 20 5 HHBDLO Cc1cc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n(-c2ccc(F)cc2)n1 ZINC000490789495 1000006234 /nfs/dbraw/zinc/00/62/34/1000006234.db2.gz FCRKZEGDBPEBHU-UHFFFAOYSA-N 1 2 423.448 3.831 20 5 HHBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCC(OCc2ccccc2)CC1 ZINC000490789990 1000006434 /nfs/dbraw/zinc/00/64/34/1000006434.db2.gz GCFZEKIQBGOVGI-UHFFFAOYSA-N 1 2 423.513 3.767 20 5 HHBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCC(OCc2ccccc2)CC1 ZINC000490789990 1000006437 /nfs/dbraw/zinc/00/64/37/1000006437.db2.gz GCFZEKIQBGOVGI-UHFFFAOYSA-N 1 2 423.513 3.767 20 5 HHBDLO CC(C)c1nc(-c2ccccc2NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n[nH]1 ZINC000492657376 1000137369 /nfs/dbraw/zinc/13/73/69/1000137369.db2.gz OMSUDOHXIVJNSY-UHFFFAOYSA-N 1 2 417.429 3.941 20 5 HHBDLO CCOc1cc(C[NH2+][C@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000492721058 1000140924 /nfs/dbraw/zinc/14/09/24/1000140924.db2.gz JMUUNJBSAPXPOX-SFHVURJKSA-N 1 2 411.380 3.503 20 5 HHBDLO C[C@H]1CCCN(c2ccc(C(=O)N(C)Cc3cn4c([nH+]3)CCCC4)cc2[N+](=O)[O-])C1 ZINC000504535743 1000255735 /nfs/dbraw/zinc/25/57/35/1000255735.db2.gz GBRJRLVILPZFKD-INIZCTEOSA-N 1 2 411.506 3.636 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000494097813 1000306564 /nfs/dbraw/zinc/30/65/64/1000306564.db2.gz XTVBVWWMRPGBSI-HKUYNNGSSA-N 1 2 403.429 3.712 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000494097813 1000306569 /nfs/dbraw/zinc/30/65/69/1000306569.db2.gz XTVBVWWMRPGBSI-HKUYNNGSSA-N 1 2 403.429 3.712 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000494246704 1000385853 /nfs/dbraw/zinc/38/58/53/1000385853.db2.gz DEKSVPOSWPFBCI-ICSRJNTNSA-N 1 2 407.430 3.850 20 5 HHBDLO CC[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccccc1OCC(=O)N(C)C ZINC000494815993 1000674669 /nfs/dbraw/zinc/67/46/69/1000674669.db2.gz NAFHQMXCUXMGEJ-QGZVFWFLSA-N 1 2 405.882 3.956 20 5 HHBDLO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505475879 1000801084 /nfs/dbraw/zinc/80/10/84/1000801084.db2.gz GWSDLICVZIRSKC-QGZVFWFLSA-N 1 2 412.446 3.644 20 5 HHBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)c1 ZINC000505504962 1000842673 /nfs/dbraw/zinc/84/26/73/1000842673.db2.gz CLNVNXNAGDQGJP-OAHLLOKOSA-N 1 2 409.442 3.869 20 5 HHBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000505539099 1000887615 /nfs/dbraw/zinc/88/76/15/1000887615.db2.gz FHFVPBHYYQASRH-CQSZACIVSA-N 1 2 403.866 3.776 20 5 HHBDLO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000505578181 1000917461 /nfs/dbraw/zinc/91/74/61/1000917461.db2.gz FIEORZPSFFQJSF-HXUWFJFHSA-N 1 2 403.442 3.520 20 5 HHBDLO CC(C)NC(=O)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000506013847 1001163569 /nfs/dbraw/zinc/16/35/69/1001163569.db2.gz ZWNDGLFGDRWKGU-UHFFFAOYSA-N 1 2 410.268 3.574 20 5 HHBDLO CC(C)NC(=O)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000506013847 1001163574 /nfs/dbraw/zinc/16/35/74/1001163574.db2.gz ZWNDGLFGDRWKGU-UHFFFAOYSA-N 1 2 410.268 3.574 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)n2)c1 ZINC000506092908 1001216256 /nfs/dbraw/zinc/21/62/56/1001216256.db2.gz AIYQRRJVRRTXOU-QGZVFWFLSA-N 1 2 408.414 3.753 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)n2)c1 ZINC000506092908 1001216264 /nfs/dbraw/zinc/21/62/64/1001216264.db2.gz AIYQRRJVRRTXOU-QGZVFWFLSA-N 1 2 408.414 3.753 20 5 HHBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000506180234 1001263847 /nfs/dbraw/zinc/26/38/47/1001263847.db2.gz SLDJWNGOOLNRLL-HYXAFXHYSA-N 1 2 403.280 3.588 20 5 HHBDLO O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000506249583 1001306494 /nfs/dbraw/zinc/30/64/94/1001306494.db2.gz NEKTZRDEYQBVEW-SFHVURJKSA-N 1 2 420.473 3.900 20 5 HHBDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000498829796 1002214195 /nfs/dbraw/zinc/21/41/95/1002214195.db2.gz ZLDHESLHHMZDBL-MSOLQXFVSA-N 1 2 424.284 3.703 20 5 HHBDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000498829796 1002214201 /nfs/dbraw/zinc/21/42/01/1002214201.db2.gz ZLDHESLHHMZDBL-MSOLQXFVSA-N 1 2 424.284 3.703 20 5 HHBDLO Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2I)c(C)[nH+]1 ZINC000508571496 1003036171 /nfs/dbraw/zinc/03/61/71/1003036171.db2.gz SVIPKNLVHWXYPL-UHFFFAOYSA-N 1 2 411.199 3.772 20 5 HHBDLO C[C@H]1CCCN(c2ccc(C(=O)NCc3ccccc3-n3cc[nH+]c3)cc2[N+](=O)[O-])C1 ZINC000509099231 1003552193 /nfs/dbraw/zinc/55/21/93/1003552193.db2.gz WUQGXGRIKBNPTP-KRWDZBQOSA-N 1 2 419.485 3.947 20 5 HHBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000509464223 1003881791 /nfs/dbraw/zinc/88/17/91/1003881791.db2.gz NOVZBQSFTBUOLU-SJORKVTESA-N 1 2 412.490 3.753 20 5 HHBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000509464217 1003882173 /nfs/dbraw/zinc/88/21/73/1003882173.db2.gz NOVZBQSFTBUOLU-DLBZAZTESA-N 1 2 412.490 3.753 20 5 HHBDLO CC(C)([NH2+]Cc1ncc(I)s1)c1ccc([N+](=O)[O-])cc1 ZINC000511989251 1003939123 /nfs/dbraw/zinc/93/91/23/1003939123.db2.gz KOVFKPJHRDRHSF-UHFFFAOYSA-N 1 2 403.245 3.681 20 5 HHBDLO O=[N+]([O-])c1ccc2oc(-c3nc([C@@H]4C[N@H+](Cc5ccccc5)CCO4)no3)cc2c1 ZINC000500808190 1003969216 /nfs/dbraw/zinc/96/92/16/1003969216.db2.gz SHMDINHWNNKRLW-IBGZPJMESA-N 1 2 406.398 3.965 20 5 HHBDLO O=[N+]([O-])c1ccc2oc(-c3nc([C@@H]4C[N@@H+](Cc5ccccc5)CCO4)no3)cc2c1 ZINC000500808190 1003969219 /nfs/dbraw/zinc/96/92/19/1003969219.db2.gz SHMDINHWNNKRLW-IBGZPJMESA-N 1 2 406.398 3.965 20 5 HHBDLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000512070781 1003999901 /nfs/dbraw/zinc/99/99/01/1003999901.db2.gz HJYGHHIOVLFCEY-YRNRMSPPSA-N 1 2 416.547 3.792 20 5 HHBDLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000512070781 1003999907 /nfs/dbraw/zinc/99/99/07/1003999907.db2.gz HJYGHHIOVLFCEY-YRNRMSPPSA-N 1 2 416.547 3.792 20 5 HHBDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C)O1 ZINC000512070779 1004000021 /nfs/dbraw/zinc/00/00/21/1004000021.db2.gz HJYGHHIOVLFCEY-JXXFODFXSA-N 1 2 416.547 3.792 20 5 HHBDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C)O1 ZINC000512070779 1004000029 /nfs/dbraw/zinc/00/00/29/1004000029.db2.gz HJYGHHIOVLFCEY-JXXFODFXSA-N 1 2 416.547 3.792 20 5 HHBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)n2)C1 ZINC000500921267 1004053238 /nfs/dbraw/zinc/05/32/38/1004053238.db2.gz QNJHODNXUIFJKP-LJQANCHMSA-N 1 2 415.494 3.663 20 5 HHBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)n2)C1 ZINC000500921267 1004053247 /nfs/dbraw/zinc/05/32/47/1004053247.db2.gz QNJHODNXUIFJKP-LJQANCHMSA-N 1 2 415.494 3.663 20 5 HHBDLO Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000512348326 1004236558 /nfs/dbraw/zinc/23/65/58/1004236558.db2.gz UKNJXYCRJOTDOB-UHFFFAOYSA-N 1 2 419.441 3.577 20 5 HHBDLO Cc1c(Br)cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000510464818 1004584940 /nfs/dbraw/zinc/58/49/40/1004584940.db2.gz MGLLNFOUAXVELZ-BDJLRTHQSA-N 1 2 407.268 3.586 20 5 HHBDLO Cc1cc(Cl)ccc1C[NH+]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000511082969 1005010482 /nfs/dbraw/zinc/01/04/82/1005010482.db2.gz WBHHKNYEKFRASM-UHFFFAOYSA-N 1 2 416.909 3.621 20 5 HHBDLO C[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2sccc2C1 ZINC000513684885 1005081644 /nfs/dbraw/zinc/08/16/44/1005081644.db2.gz VUXJYPAHCCJVJB-MGPUTAFESA-N 1 2 411.531 3.516 20 5 HHBDLO C[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2sccc2C1 ZINC000513684885 1005081648 /nfs/dbraw/zinc/08/16/48/1005081648.db2.gz VUXJYPAHCCJVJB-MGPUTAFESA-N 1 2 411.531 3.516 20 5 HHBDLO O=C(NC1CCC1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000502634439 1005151667 /nfs/dbraw/zinc/15/16/67/1005151667.db2.gz LURPGLWQCZDKPY-UHFFFAOYSA-N 1 2 400.504 3.703 20 5 HHBDLO CCOC(=O)CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000513899147 1005178425 /nfs/dbraw/zinc/17/84/25/1005178425.db2.gz XITCYVCONMBTSR-INIZCTEOSA-N 1 2 422.441 3.547 20 5 HHBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513988671 1005215636 /nfs/dbraw/zinc/21/56/36/1005215636.db2.gz BPAPQTUWGKNFOA-GOSISDBHSA-N 1 2 400.866 3.609 20 5 HHBDLO Cc1cc(F)cc([C@]2(F)CC[N@H+](CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000502876035 1005254097 /nfs/dbraw/zinc/25/40/97/1005254097.db2.gz OCKZQSDBLYYAIY-NRFANRHFSA-N 1 2 417.412 3.911 20 5 HHBDLO Cc1cc(F)cc([C@]2(F)CC[N@@H+](CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000502876035 1005254101 /nfs/dbraw/zinc/25/41/01/1005254101.db2.gz OCKZQSDBLYYAIY-NRFANRHFSA-N 1 2 417.412 3.911 20 5 HHBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000534178645 1006165706 /nfs/dbraw/zinc/16/57/06/1006165706.db2.gz YRBAYBDYIMFVDJ-GOSISDBHSA-N 1 2 413.865 3.637 20 5 HHBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000534178645 1006165714 /nfs/dbraw/zinc/16/57/14/1006165714.db2.gz YRBAYBDYIMFVDJ-GOSISDBHSA-N 1 2 413.865 3.637 20 5 HHBDLO Cc1c(NC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000515223820 1006343744 /nfs/dbraw/zinc/34/37/44/1006343744.db2.gz LRPWBHHYBPNFOV-UHFFFAOYSA-N 1 2 418.881 3.785 20 5 HHBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534526710 1006520803 /nfs/dbraw/zinc/52/08/03/1006520803.db2.gz DWJNCHGMDCWTFA-UHFFFAOYSA-N 1 2 402.520 3.506 20 5 HHBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C[C@H](C)O1 ZINC000534568223 1006558957 /nfs/dbraw/zinc/55/89/57/1006558957.db2.gz IEAXUZXKFPOYBO-CALCHBBNSA-N 1 2 424.501 3.794 20 5 HHBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C[C@H](C)O1 ZINC000534568223 1006558965 /nfs/dbraw/zinc/55/89/65/1006558965.db2.gz IEAXUZXKFPOYBO-CALCHBBNSA-N 1 2 424.501 3.794 20 5 HHBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)C1 ZINC000534643882 1006622602 /nfs/dbraw/zinc/62/26/02/1006622602.db2.gz ORYFIQNGUMWGBP-CYBMUJFWSA-N 1 2 413.503 3.946 20 5 HHBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)C1 ZINC000534643882 1006622610 /nfs/dbraw/zinc/62/26/10/1006622610.db2.gz ORYFIQNGUMWGBP-CYBMUJFWSA-N 1 2 413.503 3.946 20 5 HHBDLO COc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000534839578 1006856794 /nfs/dbraw/zinc/85/67/94/1006856794.db2.gz RTSWUYOXFYWRBA-ZDUSSCGKSA-N 1 2 403.866 3.685 20 5 HHBDLO COc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000534839578 1006856797 /nfs/dbraw/zinc/85/67/97/1006856797.db2.gz RTSWUYOXFYWRBA-ZDUSSCGKSA-N 1 2 403.866 3.685 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000532580952 1007015615 /nfs/dbraw/zinc/01/56/15/1007015615.db2.gz QGVFYQGLCBMCBC-CQSZACIVSA-N 1 2 417.437 3.613 20 5 HHBDLO C[N@@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)sc2C1 ZINC000534997446 1007057886 /nfs/dbraw/zinc/05/78/86/1007057886.db2.gz UDAYVMHKWLRWQA-UHFFFAOYSA-N 1 2 423.498 3.904 20 5 HHBDLO C[N@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)sc2C1 ZINC000534997446 1007057899 /nfs/dbraw/zinc/05/78/99/1007057899.db2.gz UDAYVMHKWLRWQA-UHFFFAOYSA-N 1 2 423.498 3.904 20 5 HHBDLO C[N@H+](Cc1ccc(Br)s1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000532771273 1007173177 /nfs/dbraw/zinc/17/31/77/1007173177.db2.gz KTSMWKYHFRQJPN-AWEZNQCLSA-N 1 2 410.293 3.656 20 5 HHBDLO C[N@@H+](Cc1ccc(Br)s1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000532771273 1007173181 /nfs/dbraw/zinc/17/31/81/1007173181.db2.gz KTSMWKYHFRQJPN-AWEZNQCLSA-N 1 2 410.293 3.656 20 5 HHBDLO O=C1[C@H](Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000535234172 1007288619 /nfs/dbraw/zinc/28/86/19/1007288619.db2.gz NRTZOKBJLRBLAC-OAQYLSRUSA-N 1 2 415.453 3.727 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539133763 1007428373 /nfs/dbraw/zinc/42/83/73/1007428373.db2.gz SUGPNEZWGVJMAB-XLIONFOSSA-N 1 2 405.857 3.882 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539133763 1007428380 /nfs/dbraw/zinc/42/83/80/1007428380.db2.gz SUGPNEZWGVJMAB-XLIONFOSSA-N 1 2 405.857 3.882 20 5 HHBDLO Cc1ccc(S(=O)(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)c([N+](=O)[O-])c1 ZINC000539234945 1007528768 /nfs/dbraw/zinc/52/87/68/1007528768.db2.gz XWZNLNRGYYQSNV-UHFFFAOYSA-N 1 2 421.544 3.561 20 5 HHBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000533262613 1007578076 /nfs/dbraw/zinc/57/80/76/1007578076.db2.gz DXVAXACQDKJCOW-ZDUSSCGKSA-N 1 2 402.451 3.760 20 5 HHBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000533291112 1007604780 /nfs/dbraw/zinc/60/47/80/1007604780.db2.gz BHOYTKKYNMJHMC-XQQFMLRXSA-N 1 2 406.533 3.871 20 5 HHBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000533291112 1007604782 /nfs/dbraw/zinc/60/47/82/1007604782.db2.gz BHOYTKKYNMJHMC-XQQFMLRXSA-N 1 2 406.533 3.871 20 5 HHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000533501121 1007811667 /nfs/dbraw/zinc/81/16/67/1007811667.db2.gz RRMLIFMLESMPDL-GOSISDBHSA-N 1 2 416.453 3.917 20 5 HHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000533501121 1007811675 /nfs/dbraw/zinc/81/16/75/1007811675.db2.gz RRMLIFMLESMPDL-GOSISDBHSA-N 1 2 416.453 3.917 20 5 HHBDLO O=[N+]([O-])c1ccc2[nH]cc(-c3nc(-c4cccc(C[NH+]5CCOCC5)c4)no3)c2c1 ZINC000517627088 1007834362 /nfs/dbraw/zinc/83/43/62/1007834362.db2.gz DTMHLSWZHWVZOW-UHFFFAOYSA-N 1 2 405.414 3.625 20 5 HHBDLO O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000517675614 1007890089 /nfs/dbraw/zinc/89/00/89/1007890089.db2.gz BRGOYMVKNDLLSO-CYBMUJFWSA-N 1 2 414.412 3.749 20 5 HHBDLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000517675614 1007890096 /nfs/dbraw/zinc/89/00/96/1007890096.db2.gz BRGOYMVKNDLLSO-CYBMUJFWSA-N 1 2 414.412 3.749 20 5 HHBDLO COc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000533682559 1008005355 /nfs/dbraw/zinc/00/53/55/1008005355.db2.gz IDCPSFODUPHXSS-CRAIPNDOSA-N 1 2 407.829 3.571 20 5 HHBDLO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000533682559 1008005363 /nfs/dbraw/zinc/00/53/63/1008005363.db2.gz IDCPSFODUPHXSS-CRAIPNDOSA-N 1 2 407.829 3.571 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000539809042 1008108256 /nfs/dbraw/zinc/10/82/56/1008108256.db2.gz AJHTZBFCYUJMDC-KRWDZBQOSA-N 1 2 407.474 3.832 20 5 HHBDLO COc1ccc2ccccc2c1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000539817077 1008111906 /nfs/dbraw/zinc/11/19/06/1008111906.db2.gz JBAKRDBJQMQJCI-UHFFFAOYSA-N 1 2 405.454 3.715 20 5 HHBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000539884343 1008160709 /nfs/dbraw/zinc/16/07/09/1008160709.db2.gz RPDJRNIBIUGHIH-CQSZACIVSA-N 1 2 420.872 3.705 20 5 HHBDLO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518934013 1008478702 /nfs/dbraw/zinc/47/87/02/1008478702.db2.gz BEKXDDUREURXSL-MRXNPFEDSA-N 1 2 421.856 3.547 20 5 HHBDLO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518934013 1008478704 /nfs/dbraw/zinc/47/87/04/1008478704.db2.gz BEKXDDUREURXSL-MRXNPFEDSA-N 1 2 421.856 3.547 20 5 HHBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543096998 1008671260 /nfs/dbraw/zinc/67/12/60/1008671260.db2.gz HEMXEGNGVCHUDP-HNNXBMFYSA-N 1 2 420.897 3.931 20 5 HHBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000546088491 1009113683 /nfs/dbraw/zinc/11/36/83/1009113683.db2.gz OPWSJXUYZXEMQT-UHFFFAOYSA-N 1 2 412.471 3.737 20 5 HHBDLO O=C(CNc1ccccc1[N+](=O)[O-])Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000520093409 1009251107 /nfs/dbraw/zinc/25/11/07/1009251107.db2.gz JYCUGNFTCGGPBV-UHFFFAOYSA-N 1 2 423.498 3.660 20 5 HHBDLO O=C(CNc1ccccc1[N+](=O)[O-])Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000520093409 1009251117 /nfs/dbraw/zinc/25/11/17/1009251117.db2.gz JYCUGNFTCGGPBV-UHFFFAOYSA-N 1 2 423.498 3.660 20 5 HHBDLO CN1CC[N@H+](C)C[C@@H]1c1noc(/C=C\c2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000546497195 1009517799 /nfs/dbraw/zinc/51/77/99/1009517799.db2.gz IZDNPJQPRBFKPI-SECOEOQKSA-N 1 2 411.487 3.795 20 5 HHBDLO CN1CC[N@@H+](C)C[C@@H]1c1noc(/C=C\c2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000546497195 1009517810 /nfs/dbraw/zinc/51/78/10/1009517810.db2.gz IZDNPJQPRBFKPI-SECOEOQKSA-N 1 2 411.487 3.795 20 5 HHBDLO CCOc1ccc(C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000544056800 1009660359 /nfs/dbraw/zinc/66/03/59/1009660359.db2.gz DUBXXEAFEIAXGC-UHFFFAOYSA-N 1 2 406.504 3.678 20 5 HHBDLO CCOc1ccc(C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000544056800 1009660363 /nfs/dbraw/zinc/66/03/63/1009660363.db2.gz DUBXXEAFEIAXGC-UHFFFAOYSA-N 1 2 406.504 3.678 20 5 HHBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](O)CC1 ZINC000550157600 1009739375 /nfs/dbraw/zinc/73/93/75/1009739375.db2.gz ARNZJZHVWBGWTC-APWZRJJASA-N 1 2 403.866 3.775 20 5 HHBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](O)CC1 ZINC000550157600 1009739387 /nfs/dbraw/zinc/73/93/87/1009739387.db2.gz ARNZJZHVWBGWTC-APWZRJJASA-N 1 2 403.866 3.775 20 5 HHBDLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000546974316 1009928854 /nfs/dbraw/zinc/92/88/54/1009928854.db2.gz ZEURYBZIAGQGOV-KRWDZBQOSA-N 1 2 414.437 3.562 20 5 HHBDLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000546974316 1009928863 /nfs/dbraw/zinc/92/88/63/1009928863.db2.gz ZEURYBZIAGQGOV-KRWDZBQOSA-N 1 2 414.437 3.562 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000544464390 1010088648 /nfs/dbraw/zinc/08/86/48/1010088648.db2.gz QGDMYEKIGXGHSN-ZIAGYGMSSA-N 1 2 410.430 3.936 20 5 HHBDLO CCOC(=O)c1sc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)nc1C ZINC000544511890 1010135272 /nfs/dbraw/zinc/13/52/72/1010135272.db2.gz DTGDNMDNQOMWLC-STQMWFEESA-N 1 2 420.491 3.523 20 5 HHBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000544622349 1010245945 /nfs/dbraw/zinc/24/59/45/1010245945.db2.gz ZKWFRNABDQMIMN-UHFFFAOYSA-N 1 2 401.442 3.899 20 5 HHBDLO CC[NH+](CC)Cc1nc(C2(NC(=O)Nc3ccc([N+](=O)[O-])cc3F)CCCC2)no1 ZINC000544622707 1010246166 /nfs/dbraw/zinc/24/61/66/1010246166.db2.gz PBWDONGTZWXZNH-UHFFFAOYSA-N 1 2 420.445 3.550 20 5 HHBDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)c2ccc(Cl)cc2)C1 ZINC000544623097 1010247265 /nfs/dbraw/zinc/24/72/65/1010247265.db2.gz KFRQYKDXGNICOF-MSOLQXFVSA-N 1 2 422.844 3.581 20 5 HHBDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)c2ccc(Cl)cc2)C1 ZINC000544623097 1010247275 /nfs/dbraw/zinc/24/72/75/1010247275.db2.gz KFRQYKDXGNICOF-MSOLQXFVSA-N 1 2 422.844 3.581 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000548749117 1010722456 /nfs/dbraw/zinc/72/24/56/1010722456.db2.gz BPEXPVHCUPEJDR-PKOBYXMFSA-N 1 2 420.872 3.674 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000548749117 1010722463 /nfs/dbraw/zinc/72/24/63/1010722463.db2.gz BPEXPVHCUPEJDR-PKOBYXMFSA-N 1 2 420.872 3.674 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000548749114 1010722595 /nfs/dbraw/zinc/72/25/95/1010722595.db2.gz BPEXPVHCUPEJDR-HKUYNNGSSA-N 1 2 420.872 3.674 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000548749114 1010722600 /nfs/dbraw/zinc/72/26/00/1010722600.db2.gz BPEXPVHCUPEJDR-HKUYNNGSSA-N 1 2 420.872 3.674 20 5 HHBDLO O=C(Nc1ccc(OCC2CCOCC2)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000522952900 1011398247 /nfs/dbraw/zinc/39/82/47/1011398247.db2.gz AYLCINCYJDZCAQ-UHFFFAOYSA-N 1 2 422.441 3.838 20 5 HHBDLO COc1cc(C[NH2+]Cc2nnc(C)s2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000540941884 1011596214 /nfs/dbraw/zinc/59/62/14/1011596214.db2.gz MMWWBLBCAAGUTF-UHFFFAOYSA-N 1 2 400.460 3.632 20 5 HHBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000536505529 1011707947 /nfs/dbraw/zinc/70/79/47/1011707947.db2.gz KFPOHOCNMSYRQJ-UHFFFAOYSA-N 1 2 407.474 3.850 20 5 HHBDLO Cc1cc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc(C)c1OC(F)F ZINC000536660528 1011809005 /nfs/dbraw/zinc/80/90/05/1011809005.db2.gz BNHRQWKMINWELL-UHFFFAOYSA-N 1 2 419.428 3.771 20 5 HHBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541236982 1011914288 /nfs/dbraw/zinc/91/42/88/1011914288.db2.gz DGUFQDQOESAYPW-MRXNPFEDSA-N 1 2 402.520 3.991 20 5 HHBDLO Cc1ccc(C[NH+]2CCSCC2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000523459582 1011962565 /nfs/dbraw/zinc/96/25/65/1011962565.db2.gz LRVFFOXIQXFOIM-UHFFFAOYSA-N 1 2 421.544 3.561 20 5 HHBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2ccc3c(c2)[nH+]c2n3CCCCC2)s1 ZINC000542103896 1013036609 /nfs/dbraw/zinc/03/66/09/1013036609.db2.gz QKCBJYAKTMPTSB-UHFFFAOYSA-N 1 2 406.489 3.880 20 5 HHBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000524228951 1013039672 /nfs/dbraw/zinc/03/96/72/1013039672.db2.gz CFMYPQARWABRQD-UHFFFAOYSA-N 1 2 400.822 3.705 20 5 HHBDLO Cc1ccc(C)c(S(=O)(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC001211960200 1071766448 /nfs/dbraw/zinc/76/64/48/1071766448.db2.gz IMQUDJMYURTXNB-UHFFFAOYSA-N 1 2 420.878 3.529 20 5 HHBDLO COc1cc(C[N@@H+]2CCC[C@@](OC)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000614924088 1071987855 /nfs/dbraw/zinc/98/78/55/1071987855.db2.gz HUMZIGPUSFQFDU-HNNXBMFYSA-N 1 2 414.327 3.748 20 5 HHBDLO COc1cc(C[N@H+]2CCC[C@@](OC)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000614924088 1071987860 /nfs/dbraw/zinc/98/78/60/1071987860.db2.gz HUMZIGPUSFQFDU-HNNXBMFYSA-N 1 2 414.327 3.748 20 5 HHBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000587066249 1072510774 /nfs/dbraw/zinc/51/07/74/1072510774.db2.gz BHOMXOIAOMHTLI-OAHLLOKOSA-N 1 2 400.504 3.818 20 5 HHBDLO Cc1cc(Cl)ccc1C[NH+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000588064099 1072773072 /nfs/dbraw/zinc/77/30/72/1072773072.db2.gz KHHRQHDTKGFFSX-UHFFFAOYSA-N 1 2 413.865 3.528 20 5 HHBDLO CCOc1cc(C[NH2+][C@@H]2CCCC2(F)F)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000588930184 1073347343 /nfs/dbraw/zinc/34/73/43/1073347343.db2.gz OUSFYIKXPRSGBR-GOSISDBHSA-N 1 2 424.448 3.855 20 5 HHBDLO Cc1ccc(NC(=O)[C@H](SCC[NH+]2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000590098475 1073546084 /nfs/dbraw/zinc/54/60/84/1073546084.db2.gz YZAXSIDQYWCBAP-HXUWFJFHSA-N 1 2 415.515 3.648 20 5 HHBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164667382 719494674 /nfs/dbraw/zinc/49/46/74/719494674.db2.gz KYQDZUOAEOWWJE-UHFFFAOYSA-N 1 2 420.872 3.654 20 5 HHBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164667382 719494688 /nfs/dbraw/zinc/49/46/88/719494688.db2.gz KYQDZUOAEOWWJE-UHFFFAOYSA-N 1 2 420.872 3.654 20 5 HHBDLO Cc1c(C)c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC001164673980 719513212 /nfs/dbraw/zinc/51/32/12/719513212.db2.gz WRGZAFHVLKVSTF-UHFFFAOYSA-N 1 2 414.481 3.617 20 5 HHBDLO Cc1c(C)c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC001164673980 719513219 /nfs/dbraw/zinc/51/32/19/719513219.db2.gz WRGZAFHVLKVSTF-UHFFFAOYSA-N 1 2 414.481 3.617 20 5 HHBDLO O=[N+]([O-])c1cnc(Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c(Cl)c1 ZINC000301283556 970849366 /nfs/dbraw/zinc/84/93/66/970849366.db2.gz PIDHZZMOEQYWTI-UHFFFAOYSA-N 1 2 416.894 3.971 20 5 HHBDLO COc1cc(F)c([N+](=O)[O-])c(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c1 ZINC000301977485 971139658 /nfs/dbraw/zinc/13/96/58/971139658.db2.gz NECKAKDGYGCZAO-QZTJIDSGSA-N 1 2 409.845 3.880 20 5 HHBDLO COc1cc(F)c([N+](=O)[O-])c(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000301977485 971139662 /nfs/dbraw/zinc/13/96/62/971139662.db2.gz NECKAKDGYGCZAO-QZTJIDSGSA-N 1 2 409.845 3.880 20 5 HHBDLO C[C@@]1(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000302459411 971239851 /nfs/dbraw/zinc/23/98/51/971239851.db2.gz UEJZWOUNVRCCCF-SFHVURJKSA-N 1 2 409.533 3.526 20 5 HHBDLO C[C@@]1(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000302459411 971239859 /nfs/dbraw/zinc/23/98/59/971239859.db2.gz UEJZWOUNVRCCCF-SFHVURJKSA-N 1 2 409.533 3.526 20 5 HHBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cc[nH+]c4c(Br)cccc34)C2)nc1 ZINC000302686135 971279744 /nfs/dbraw/zinc/27/97/44/971279744.db2.gz AKVHJGVCWJOSNH-GFCCVEGCSA-N 1 2 414.263 3.991 20 5 HHBDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)c2ccc(Cl)cc2)C1 ZINC000553116300 1013079238 /nfs/dbraw/zinc/07/92/38/1013079238.db2.gz SJIDUEAEVWSHNK-ZBFHGGJFSA-N 1 2 419.894 3.737 20 5 HHBDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)c2ccc(Cl)cc2)C1 ZINC000553116300 1013079256 /nfs/dbraw/zinc/07/92/56/1013079256.db2.gz SJIDUEAEVWSHNK-ZBFHGGJFSA-N 1 2 419.894 3.737 20 5 HHBDLO CC(=O)N1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000537626087 1013176506 /nfs/dbraw/zinc/17/65/06/1013176506.db2.gz DKDLZLUSOGOVNO-QGZVFWFLSA-N 1 2 419.485 3.500 20 5 HHBDLO CC(=O)N1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000537626087 1013176513 /nfs/dbraw/zinc/17/65/13/1013176513.db2.gz DKDLZLUSOGOVNO-QGZVFWFLSA-N 1 2 419.485 3.500 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000542455068 1013402627 /nfs/dbraw/zinc/40/26/27/1013402627.db2.gz ONIWLQVCFUGJDG-FPOVZHCZSA-N 1 2 421.457 3.528 20 5 HHBDLO C[C@H](NC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 ZINC000025556443 964305640 /nfs/dbraw/zinc/30/56/40/964305640.db2.gz FZNKZXRJSOEGDA-HOTGVXAUSA-N 1 2 416.909 3.636 20 5 HHBDLO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000025556891 964305899 /nfs/dbraw/zinc/30/58/99/964305899.db2.gz AGPPUSQIMZXIJJ-VQIMIIECSA-N 1 2 414.531 3.531 20 5 HHBDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050315148 964307733 /nfs/dbraw/zinc/30/77/33/964307733.db2.gz XJSBKQSJZFEOTP-UHFFFAOYSA-N 1 2 409.471 3.512 20 5 HHBDLO COc1cc(C[NH+]2CCN(c3ccccc3C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000027356897 964861517 /nfs/dbraw/zinc/86/15/17/964861517.db2.gz DDHMUMUGTPEOHF-UHFFFAOYSA-N 1 2 407.417 3.835 20 5 HHBDLO Cc1c(C[NH+]2CCN([C@@H](C)c3nc(-c4ccccc4)no3)CC2)cccc1[N+](=O)[O-] ZINC000052775946 964982634 /nfs/dbraw/zinc/98/26/34/964982634.db2.gz QWTNKAQYKORJOW-KRWDZBQOSA-N 1 2 407.474 3.832 20 5 HHBDLO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000052844705 964999252 /nfs/dbraw/zinc/99/92/52/964999252.db2.gz ZVPZJKFIGCWZLW-VQIMIIECSA-N 1 2 414.531 3.531 20 5 HHBDLO Cc1c(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000028677657 965156053 /nfs/dbraw/zinc/15/60/53/965156053.db2.gz RPSFIJYAQFJIQG-LLVKDONJSA-N 1 2 419.463 3.752 20 5 HHBDLO Cc1c(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000028677657 965156067 /nfs/dbraw/zinc/15/60/67/965156067.db2.gz RPSFIJYAQFJIQG-LLVKDONJSA-N 1 2 419.463 3.752 20 5 HHBDLO CCOc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000054122473 965390499 /nfs/dbraw/zinc/39/04/99/965390499.db2.gz SMBNBWPHRJWKNU-UHFFFAOYSA-N 1 2 417.893 3.995 20 5 HHBDLO CCOc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000054122473 965390514 /nfs/dbraw/zinc/39/05/14/965390514.db2.gz SMBNBWPHRJWKNU-UHFFFAOYSA-N 1 2 417.893 3.995 20 5 HHBDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000029684921 965456429 /nfs/dbraw/zinc/45/64/29/965456429.db2.gz GGCYVMIIQIXQJO-HNNXBMFYSA-N 1 2 402.882 3.566 20 5 HHBDLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000054390804 965500138 /nfs/dbraw/zinc/50/01/38/965500138.db2.gz OKJZXUWCCUWSBD-CYBMUJFWSA-N 1 2 407.430 3.723 20 5 HHBDLO CC(=O)Nc1cccc2c1CC[N@H+]([C@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000054390804 965500147 /nfs/dbraw/zinc/50/01/47/965500147.db2.gz OKJZXUWCCUWSBD-CYBMUJFWSA-N 1 2 407.430 3.723 20 5 HHBDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000058958992 965974031 /nfs/dbraw/zinc/97/40/31/965974031.db2.gz JOLARXGAHISTPI-CYBMUJFWSA-N 1 2 407.854 3.695 20 5 HHBDLO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000032674327 966307378 /nfs/dbraw/zinc/30/73/78/966307378.db2.gz BUWQYVHOVSODKP-UHFFFAOYSA-N 1 2 403.504 3.574 20 5 HHBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000056714784 966428559 /nfs/dbraw/zinc/42/85/59/966428559.db2.gz NUYUKFDGJGDCRZ-UHFFFAOYSA-N 1 2 403.345 3.704 20 5 HHBDLO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000042211518 966745718 /nfs/dbraw/zinc/74/57/18/966745718.db2.gz XKPIXQGKLXHXTK-UHFFFAOYSA-N 1 2 404.426 3.745 20 5 HHBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCCNc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000043546187 966995117 /nfs/dbraw/zinc/99/51/17/966995117.db2.gz RTWJKLFNYIZDFI-AWEZNQCLSA-N 1 2 418.523 3.517 20 5 HHBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCNc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000043546187 966995120 /nfs/dbraw/zinc/99/51/20/966995120.db2.gz RTWJKLFNYIZDFI-AWEZNQCLSA-N 1 2 418.523 3.517 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](Cc3cccs3)C[C@H]3CCCO3)n2)c1 ZINC000043801560 967036294 /nfs/dbraw/zinc/03/62/94/967036294.db2.gz OQXBHWSSWJLCJE-MRXNPFEDSA-N 1 2 400.460 3.888 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](Cc3cccs3)C[C@H]3CCCO3)n2)c1 ZINC000043801560 967036303 /nfs/dbraw/zinc/03/63/03/967036303.db2.gz OQXBHWSSWJLCJE-MRXNPFEDSA-N 1 2 400.460 3.888 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CS(=O)(=O)c4ccccc43)s2)cc1 ZINC000553917899 1013699899 /nfs/dbraw/zinc/69/98/99/1013699899.db2.gz XVTGINCCLIDIQI-QGZVFWFLSA-N 1 2 400.481 3.942 20 5 HHBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542872889 1013725063 /nfs/dbraw/zinc/72/50/63/1013725063.db2.gz IJMLJSUDHDHPDV-UHFFFAOYSA-N 1 2 412.418 3.891 20 5 HHBDLO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000065515765 967501641 /nfs/dbraw/zinc/50/16/41/967501641.db2.gz XMJUQSLJZMGJKB-UHFFFAOYSA-N 1 2 410.430 3.802 20 5 HHBDLO O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000046500869 967829073 /nfs/dbraw/zinc/82/90/73/967829073.db2.gz YJGDNINYSGKIDF-SFHVURJKSA-N 1 2 408.414 3.591 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H](CO)c3ccc(Br)cc3)co2)cc1 ZINC000542909248 1013750347 /nfs/dbraw/zinc/75/03/47/1013750347.db2.gz IVWQLFQVIWCOHF-KRWDZBQOSA-N 1 2 418.247 3.836 20 5 HHBDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1OC ZINC000046856039 967993110 /nfs/dbraw/zinc/99/31/10/967993110.db2.gz OURXYWZSNZZAJN-QGZVFWFLSA-N 1 2 410.430 3.999 20 5 HHBDLO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1OC ZINC000046856039 967993113 /nfs/dbraw/zinc/99/31/13/967993113.db2.gz OURXYWZSNZZAJN-QGZVFWFLSA-N 1 2 410.430 3.999 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)o2)cc1 ZINC000098069566 969189835 /nfs/dbraw/zinc/18/98/35/969189835.db2.gz CGQSJEBLZKTHGV-KRWDZBQOSA-N 1 2 408.414 3.753 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)o2)cc1 ZINC000098069566 969189839 /nfs/dbraw/zinc/18/98/39/969189839.db2.gz CGQSJEBLZKTHGV-KRWDZBQOSA-N 1 2 408.414 3.753 20 5 HHBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccccc1Cn1cc[nH+]c1 ZINC000105500880 969241659 /nfs/dbraw/zinc/24/16/59/969241659.db2.gz XCHIGEIRGRLRCA-UHFFFAOYSA-N 1 2 422.488 3.716 20 5 HHBDLO O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000108187361 969363275 /nfs/dbraw/zinc/36/32/75/969363275.db2.gz RYKYICLYSVWVAY-UHFFFAOYSA-N 1 2 408.285 3.902 20 5 HHBDLO C[C@H](Nc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000110278619 969646722 /nfs/dbraw/zinc/64/67/22/969646722.db2.gz RZOSQAVPFIIJRU-INIZCTEOSA-N 1 2 420.473 3.837 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1CNCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000236854083 970180446 /nfs/dbraw/zinc/18/04/46/970180446.db2.gz VYBSOSNSTMBCPS-ROUUACIJSA-N 1 2 413.518 3.893 20 5 HHBDLO COc1cc(C[NH2+]Cc2nc(C)c(C)s2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237132705 970228465 /nfs/dbraw/zinc/22/84/65/970228465.db2.gz GEHPKBTWSZBVMY-UHFFFAOYSA-N 1 2 405.398 3.908 20 5 HHBDLO Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000146029103 970277994 /nfs/dbraw/zinc/27/79/94/970277994.db2.gz OFSROUBPHNVHRP-UHFFFAOYSA-N 1 2 416.397 3.924 20 5 HHBDLO CN(C)c1ccc2cc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)ccc2n1 ZINC000150224213 970436321 /nfs/dbraw/zinc/43/63/21/970436321.db2.gz OEBLNRLBLBFYAM-UHFFFAOYSA-N 1 2 402.414 3.647 20 5 HHBDLO O=C(c1cc(NCc2cc[nH+]c(N3CCCCC3)c2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301117665 970756679 /nfs/dbraw/zinc/75/66/79/970756679.db2.gz QFOGEJVHMQZNSK-UHFFFAOYSA-N 1 2 409.490 3.828 20 5 HHBDLO CSc1cccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000410309205 973850792 /nfs/dbraw/zinc/85/07/92/973850792.db2.gz RKQUMLBIQVAZQX-AWEZNQCLSA-N 1 2 400.504 3.869 20 5 HHBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cn(-c4ccc(Cl)cc4Cl)nn3)CC2)n1 ZINC000425993284 974105691 /nfs/dbraw/zinc/10/56/91/974105691.db2.gz BFKTUEIKSKRNAA-UHFFFAOYSA-N 1 2 422.276 3.516 20 5 HHBDLO Cc1cccnc1C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000426173055 974283473 /nfs/dbraw/zinc/28/34/73/974283473.db2.gz QUQGGUGCARLSGR-UHFFFAOYSA-N 1 2 422.510 3.985 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(O)(C(F)F)CC2)cc1OC ZINC000426261327 974354355 /nfs/dbraw/zinc/35/43/55/974354355.db2.gz PWQJLDIVEPOLMR-ZDUSSCGKSA-N 1 2 402.438 3.620 20 5 HHBDLO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000426741942 974628129 /nfs/dbraw/zinc/62/81/29/974628129.db2.gz NQLYYLMBTDJWRO-AWEZNQCLSA-N 1 2 423.922 3.981 20 5 HHBDLO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000426741942 974628133 /nfs/dbraw/zinc/62/81/33/974628133.db2.gz NQLYYLMBTDJWRO-AWEZNQCLSA-N 1 2 423.922 3.981 20 5 HHBDLO COc1ccccc1[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccco1 ZINC000426970073 974787999 /nfs/dbraw/zinc/78/79/99/974787999.db2.gz AXEFZDWLTXSVLH-OAQYLSRUSA-N 1 2 418.409 3.902 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000427027660 974838008 /nfs/dbraw/zinc/83/80/08/974838008.db2.gz JONCOYZUHAWVIC-WMZOPIPTSA-N 1 2 407.829 3.571 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000427027660 974838010 /nfs/dbraw/zinc/83/80/10/974838010.db2.gz JONCOYZUHAWVIC-WMZOPIPTSA-N 1 2 407.829 3.571 20 5 HHBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000428354662 975668113 /nfs/dbraw/zinc/66/81/13/975668113.db2.gz ZERMCMIPTYVQOW-OAHLLOKOSA-N 1 2 412.833 3.982 20 5 HHBDLO COc1cc(C[NH+]2CCC(O)(C(F)F)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000428463475 975765043 /nfs/dbraw/zinc/76/50/43/975765043.db2.gz VMXBGUQPLWCJON-UHFFFAOYSA-N 1 2 422.428 3.774 20 5 HHBDLO CCOC1(C)CC[NH+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000428712747 976002359 /nfs/dbraw/zinc/00/23/59/976002359.db2.gz QVPZYFRLDFRYEO-UHFFFAOYSA-N 1 2 404.492 3.548 20 5 HHBDLO COc1ccc(NC(=O)C[NH+]2CCC(c3ccc(F)cc3C)CC2)c([N+](=O)[O-])c1 ZINC000428713342 976003834 /nfs/dbraw/zinc/00/38/34/976003834.db2.gz SDKNXHMLQFZEAU-UHFFFAOYSA-N 1 2 401.438 3.869 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2ccc(F)cc2C)CC1 ZINC000428741051 976020415 /nfs/dbraw/zinc/02/04/15/976020415.db2.gz OQBRLDHISPMRBF-UHFFFAOYSA-N 1 2 401.438 3.869 20 5 HHBDLO CS(=O)(=O)CC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000430112724 977323867 /nfs/dbraw/zinc/32/38/67/977323867.db2.gz FBQSISCVUUZFRF-UHFFFAOYSA-N 1 2 412.895 3.765 20 5 HHBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000430436271 977547966 /nfs/dbraw/zinc/54/79/66/977547966.db2.gz RTKGRSBQDXNASI-UHFFFAOYSA-N 1 2 404.445 3.625 20 5 HHBDLO O=C(C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430940404 977903066 /nfs/dbraw/zinc/90/30/66/977903066.db2.gz PBYVKNUUUVWEOW-GOSISDBHSA-N 1 2 417.893 3.910 20 5 HHBDLO O=C(C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430940404 977903074 /nfs/dbraw/zinc/90/30/74/977903074.db2.gz PBYVKNUUUVWEOW-GOSISDBHSA-N 1 2 417.893 3.910 20 5 HHBDLO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2[N+](=O)[O-])C1 ZINC000434045092 979783637 /nfs/dbraw/zinc/78/36/37/979783637.db2.gz CBNHEZUTHXOXCC-VQIMIIECSA-N 1 2 410.474 3.520 20 5 HHBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(F)(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000434493092 980209759 /nfs/dbraw/zinc/20/97/59/980209759.db2.gz KMONYXNVRPHFAL-UHFFFAOYSA-N 1 2 401.438 3.893 20 5 HHBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000435196647 980714424 /nfs/dbraw/zinc/71/44/24/980714424.db2.gz FRVKQBGJXDMAOJ-UHFFFAOYSA-N 1 2 400.460 3.780 20 5 HHBDLO Cc1cnn(-c2ccc(C)cc2NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000435444457 980866889 /nfs/dbraw/zinc/86/68/89/980866889.db2.gz XNJUCRKCTANCCI-UHFFFAOYSA-N 1 2 402.414 3.835 20 5 HHBDLO C[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[N@@H+]1CCc2sccc2C1 ZINC000436080556 981191260 /nfs/dbraw/zinc/19/12/60/981191260.db2.gz FCSDMPALNUVZTO-OAHLLOKOSA-N 1 2 417.534 3.919 20 5 HHBDLO C[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[N@H+]1CCc2sccc2C1 ZINC000436080556 981191265 /nfs/dbraw/zinc/19/12/65/981191265.db2.gz FCSDMPALNUVZTO-OAHLLOKOSA-N 1 2 417.534 3.919 20 5 HHBDLO C[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[N@@H+]1CCc2sccc2C1 ZINC000436080555 981191299 /nfs/dbraw/zinc/19/12/99/981191299.db2.gz FCSDMPALNUVZTO-HNNXBMFYSA-N 1 2 417.534 3.919 20 5 HHBDLO C[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[N@H+]1CCc2sccc2C1 ZINC000436080555 981191301 /nfs/dbraw/zinc/19/13/01/981191301.db2.gz FCSDMPALNUVZTO-HNNXBMFYSA-N 1 2 417.534 3.919 20 5 HHBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000437029960 981701446 /nfs/dbraw/zinc/70/14/46/981701446.db2.gz RPUWEFGNHBEMQP-UHFFFAOYSA-N 1 2 414.531 3.847 20 5 HHBDLO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000437357511 982006268 /nfs/dbraw/zinc/00/62/68/982006268.db2.gz UWNOYEZLJDXHBJ-XJKSGUPXSA-N 1 2 400.797 3.859 20 5 HHBDLO O=C(Nc1ccc(Br)c(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000460395443 982175605 /nfs/dbraw/zinc/17/56/05/982175605.db2.gz VYZFUFGMUXHEIG-UHFFFAOYSA-N 1 2 405.183 3.934 20 5 HHBDLO Cc1cc(N2CCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)nc(C(C)C)[nH+]1 ZINC000438956540 983177618 /nfs/dbraw/zinc/17/76/18/983177618.db2.gz FTQKHQVKUICKQY-UHFFFAOYSA-N 1 2 411.506 3.902 20 5 HHBDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000439791929 983541361 /nfs/dbraw/zinc/54/13/61/983541361.db2.gz YJIBZSVARQBFSX-AOMKIAJQSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000439791929 983541363 /nfs/dbraw/zinc/54/13/63/983541363.db2.gz YJIBZSVARQBFSX-AOMKIAJQSA-N 1 2 410.518 3.979 20 5 HHBDLO COc1ccc(CNC(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000440835561 983930320 /nfs/dbraw/zinc/93/03/20/983930320.db2.gz XLMWLPLPNBFMEC-LJQANCHMSA-N 1 2 423.473 3.657 20 5 HHBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000442249368 984771511 /nfs/dbraw/zinc/77/15/11/984771511.db2.gz KEYVEIWDNHVIEM-HXUWFJFHSA-N 1 2 407.474 3.991 20 5 HHBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC2)c1 ZINC000462405573 985381744 /nfs/dbraw/zinc/38/17/44/985381744.db2.gz DNXXGXRUPZBFJZ-UHFFFAOYSA-N 1 2 418.291 3.624 20 5 HHBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000463088150 986045701 /nfs/dbraw/zinc/04/57/01/986045701.db2.gz BWAKZMYJXTYLKG-UONOGXRCSA-N 1 2 423.922 3.982 20 5 HHBDLO Cc1cn2c([nH+]1)[C@H](CNc1c3cc(Br)ccc3ncc1[N+](=O)[O-])CCC2 ZINC000443897937 986095974 /nfs/dbraw/zinc/09/59/74/986095974.db2.gz PTDFQSFWYAEFRZ-LBPRGKRZSA-N 1 2 416.279 3.822 20 5 HHBDLO O=C(NCCCNc1cccc[nH+]1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444036936 986234097 /nfs/dbraw/zinc/23/40/97/986234097.db2.gz DQCIPZWTONJKNR-UHFFFAOYSA-N 1 2 408.408 3.587 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000444162831 986339717 /nfs/dbraw/zinc/33/97/17/986339717.db2.gz BGTDNPJIKTZGAT-INIZCTEOSA-N 1 2 416.909 3.874 20 5 HHBDLO COc1ccc(CNc2[nH+]c3ccccc3n2CCc2ccccn2)cc1[N+](=O)[O-] ZINC000463518318 986494980 /nfs/dbraw/zinc/49/49/80/986494980.db2.gz RFICZXNFDNAXBT-UHFFFAOYSA-N 1 2 403.442 4.203 20 5 HHBDLO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC[NH+](CCc2ccccc2)CC1 ZINC000444829656 986986202 /nfs/dbraw/zinc/98/62/02/986986202.db2.gz XDYWWGCLSNTNKS-UHFFFAOYSA-N 1 2 411.505 3.682 20 5 HHBDLO Cc1ccccc1C[NH+]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000444830565 986987613 /nfs/dbraw/zinc/98/76/13/986987613.db2.gz UETFXORCXFKPRX-UHFFFAOYSA-N 1 2 411.505 3.948 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000444896181 987045670 /nfs/dbraw/zinc/04/56/70/987045670.db2.gz CCOZIKWPWAYDCB-IBGZPJMESA-N 1 2 409.446 3.980 20 5 HHBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000444967657 987098766 /nfs/dbraw/zinc/09/87/66/987098766.db2.gz RCFZIMKCKIMABR-MRXNPFEDSA-N 1 2 400.482 3.510 20 5 HHBDLO COc1cccc(OCCN2CC[NH+](C/C(C)=C/c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000470178570 988094211 /nfs/dbraw/zinc/09/42/11/988094211.db2.gz KZYXHUCJLUDLQU-XDJHFCHBSA-N 1 2 411.502 3.703 20 5 HHBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000470219018 988146452 /nfs/dbraw/zinc/14/64/52/988146452.db2.gz QPCHOFQFIOGMFG-XFXZXTDPSA-N 1 2 413.425 3.691 20 5 HHBDLO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000464292372 988415520 /nfs/dbraw/zinc/41/55/20/988415520.db2.gz DMKGMVMGIFEBLS-CYBMUJFWSA-N 1 2 419.224 3.951 20 5 HHBDLO CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000470671692 988692799 /nfs/dbraw/zinc/69/27/99/988692799.db2.gz ZMTWLTCUVKRWJG-UHFFFAOYSA-N 1 2 411.365 3.528 20 5 HHBDLO CO[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000464596117 988776918 /nfs/dbraw/zinc/77/69/18/988776918.db2.gz XEJAVTRDBZYWMM-SFHVURJKSA-N 1 2 400.822 3.551 20 5 HHBDLO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000464693614 988902322 /nfs/dbraw/zinc/90/23/22/988902322.db2.gz GIMUKNADTYNNIJ-UGKGYDQZSA-N 1 2 420.469 3.987 20 5 HHBDLO CSc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000464778458 989005313 /nfs/dbraw/zinc/00/53/13/989005313.db2.gz OMRIHIQNDCYSAI-UHFFFAOYSA-N 1 2 401.488 3.799 20 5 HHBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000474902766 995790341 /nfs/dbraw/zinc/79/03/41/995790341.db2.gz WJCRUCZCHFDUSX-UHFFFAOYSA-N 1 2 412.299 3.771 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)cc1OC ZINC000483198928 996033106 /nfs/dbraw/zinc/03/31/06/996033106.db2.gz MNLGWWCITMUKHQ-KSFYIVLOSA-N 1 2 422.522 3.798 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)cc1OC ZINC000483198928 996033109 /nfs/dbraw/zinc/03/31/09/996033109.db2.gz MNLGWWCITMUKHQ-KSFYIVLOSA-N 1 2 422.522 3.798 20 5 HHBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000483244020 996056861 /nfs/dbraw/zinc/05/68/61/996056861.db2.gz FIPKSOZVYOHNGE-AWEZNQCLSA-N 1 2 411.487 3.547 20 5 HHBDLO CCN1CC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@H]1c1ncc[nH]1 ZINC000475348320 996082438 /nfs/dbraw/zinc/08/24/38/996082438.db2.gz LFDKYRXWACOMBE-QFIPXVFZSA-N 1 2 420.517 3.965 20 5 HHBDLO CCN1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@H]1c1ncc[nH]1 ZINC000475348320 996082444 /nfs/dbraw/zinc/08/24/44/996082444.db2.gz LFDKYRXWACOMBE-QFIPXVFZSA-N 1 2 420.517 3.965 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@@H](COc4ccccc4)C3)o2)c1 ZINC000484541863 996874649 /nfs/dbraw/zinc/87/46/49/996874649.db2.gz PTNGREIOYCEHFF-HXUWFJFHSA-N 1 2 409.442 3.572 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@@H](COc4ccccc4)C3)o2)c1 ZINC000484541863 996874658 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C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000502344327 1005023829 /nfs/dbraw/zinc/02/38/29/1005023829.db2.gz UFPMSLGSSQJTSJ-SJLPKXTDSA-N 1 2 415.515 3.513 20 5 HHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000502344327 1005023833 /nfs/dbraw/zinc/02/38/33/1005023833.db2.gz UFPMSLGSSQJTSJ-SJLPKXTDSA-N 1 2 415.515 3.513 20 5 HHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000502370413 1005040473 /nfs/dbraw/zinc/04/04/73/1005040473.db2.gz VWSDOESWCMCJMC-OXQOHEQNSA-N 1 2 415.515 3.513 20 5 HHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000502370413 1005040481 /nfs/dbraw/zinc/04/04/81/1005040481.db2.gz VWSDOESWCMCJMC-OXQOHEQNSA-N 1 2 415.515 3.513 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513657469 1005069401 /nfs/dbraw/zinc/06/94/01/1005069401.db2.gz HBDDPUCUFBEDCG-UHFFFAOYSA-N 1 2 406.389 3.512 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000502531853 1005105658 /nfs/dbraw/zinc/10/56/58/1005105658.db2.gz WZNCIKYCBFAXME-UHFFFAOYSA-N 1 2 412.273 3.643 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000502531853 1005105662 /nfs/dbraw/zinc/10/56/62/1005105662.db2.gz WZNCIKYCBFAXME-UHFFFAOYSA-N 1 2 412.273 3.643 20 5 HHBDLO CC(=O)NCC[N@H+](Cc1ccc(Br)s1)Cc1ccc([N+](=O)[O-])cc1 ZINC000503192077 1005365706 /nfs/dbraw/zinc/36/57/06/1005365706.db2.gz UVILKMYUPGIKHR-UHFFFAOYSA-N 1 2 412.309 3.557 20 5 HHBDLO CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)Cc1ccc([N+](=O)[O-])cc1 ZINC000503192077 1005365709 /nfs/dbraw/zinc/36/57/09/1005365709.db2.gz UVILKMYUPGIKHR-UHFFFAOYSA-N 1 2 412.309 3.557 20 5 HHBDLO O=[N+]([O-])c1cc(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c2c(c1)COCO2 ZINC000503641291 1005471468 /nfs/dbraw/zinc/47/14/68/1005471468.db2.gz FANTVLPRQMXLRM-UHFFFAOYSA-N 1 2 413.257 3.763 20 5 HHBDLO O=[N+]([O-])c1cc(C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c2c(c1)COCO2 ZINC000503641291 1005471470 /nfs/dbraw/zinc/47/14/70/1005471470.db2.gz FANTVLPRQMXLRM-UHFFFAOYSA-N 1 2 413.257 3.763 20 5 HHBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000534042345 1006011865 /nfs/dbraw/zinc/01/18/65/1006011865.db2.gz VGEPPFGBBXDCKD-CALCHBBNSA-N 1 2 412.490 3.568 20 5 HHBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000534042345 1006011875 /nfs/dbraw/zinc/01/18/75/1006011875.db2.gz VGEPPFGBBXDCKD-CALCHBBNSA-N 1 2 412.490 3.568 20 5 HHBDLO CCOc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000515904574 1006750488 /nfs/dbraw/zinc/75/04/88/1006750488.db2.gz HOSLZAINHLFFDZ-KRWDZBQOSA-N 1 2 412.490 3.582 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000538782265 1007063704 /nfs/dbraw/zinc/06/37/04/1007063704.db2.gz BSGSPSTUIFCMMI-QGZVFWFLSA-N 1 2 414.481 3.750 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000532644447 1007064080 /nfs/dbraw/zinc/06/40/80/1007064080.db2.gz RKFMMKMPYMJQAJ-AWEZNQCLSA-N 1 2 421.457 3.596 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000532644447 1007064088 /nfs/dbraw/zinc/06/40/88/1007064088.db2.gz RKFMMKMPYMJQAJ-AWEZNQCLSA-N 1 2 421.457 3.596 20 5 HHBDLO Cc1c(CC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000535132027 1007170643 /nfs/dbraw/zinc/17/06/43/1007170643.db2.gz YFTANWDVKXCKSB-XLIONFOSSA-N 1 2 405.857 3.800 20 5 HHBDLO Cc1c(CC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000535132027 1007170650 /nfs/dbraw/zinc/17/06/50/1007170650.db2.gz YFTANWDVKXCKSB-XLIONFOSSA-N 1 2 405.857 3.800 20 5 HHBDLO CCO[C@H](CC)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000516692811 1007237732 /nfs/dbraw/zinc/23/77/32/1007237732.db2.gz ZROJGLMVZYPNCV-LJQANCHMSA-N 1 2 417.531 3.783 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000532852750 1007242372 /nfs/dbraw/zinc/24/23/72/1007242372.db2.gz WOQOAHLENCPAIW-ROUUACIJSA-N 1 2 406.845 3.632 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000532852750 1007242382 /nfs/dbraw/zinc/24/23/82/1007242382.db2.gz WOQOAHLENCPAIW-ROUUACIJSA-N 1 2 406.845 3.632 20 5 HHBDLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1N1CCCC1 ZINC000532897062 1007275589 /nfs/dbraw/zinc/27/55/89/1007275589.db2.gz IRAIBVJCMPYDQI-UHFFFAOYSA-N 1 2 402.882 3.919 20 5 HHBDLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1N1CCCC1 ZINC000532897062 1007275597 /nfs/dbraw/zinc/27/55/97/1007275597.db2.gz IRAIBVJCMPYDQI-UHFFFAOYSA-N 1 2 402.882 3.919 20 5 HHBDLO COc1cc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc([N+](=O)[O-])c1OC ZINC000535289028 1007338927 /nfs/dbraw/zinc/33/89/27/1007338927.db2.gz KYCKBHNWPVFFGC-UHFFFAOYSA-N 1 2 420.425 3.780 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539218770 1007509845 /nfs/dbraw/zinc/50/98/45/1007509845.db2.gz XUDZHZZVICMCSH-APWZRJJASA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539218770 1007509856 /nfs/dbraw/zinc/50/98/56/1007509856.db2.gz XUDZHZZVICMCSH-APWZRJJASA-N 1 2 421.856 3.961 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000535453458 1007515974 /nfs/dbraw/zinc/51/59/74/1007515974.db2.gz NDQDKFUVWXQREA-QGZVFWFLSA-N 1 2 412.833 3.727 20 5 HHBDLO COc1cc(CNc2ccc(N(C)C)c[nH+]2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000533187819 1007526112 /nfs/dbraw/zinc/52/61/12/1007526112.db2.gz SFVBYLXMTWGKKA-UHFFFAOYSA-N 1 2 400.357 3.618 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000533280389 1007592222 /nfs/dbraw/zinc/59/22/22/1007592222.db2.gz UMPWGOHQRHEIRH-UPTPFMHGSA-N 1 2 419.522 3.990 20 5 HHBDLO C[C@@H](c1cccc(O)c1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533513584 1007832196 /nfs/dbraw/zinc/83/21/96/1007832196.db2.gz OOJREPZFLFUDMV-NSHDSACASA-N 1 2 408.252 3.694 20 5 HHBDLO C[C@@H](c1cccc(O)c1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533513584 1007832209 /nfs/dbraw/zinc/83/22/09/1007832209.db2.gz OOJREPZFLFUDMV-NSHDSACASA-N 1 2 408.252 3.694 20 5 HHBDLO C[C@H](c1cccc(O)c1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533513583 1007832454 /nfs/dbraw/zinc/83/24/54/1007832454.db2.gz OOJREPZFLFUDMV-LLVKDONJSA-N 1 2 408.252 3.694 20 5 HHBDLO C[C@H](c1cccc(O)c1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533513583 1007832459 /nfs/dbraw/zinc/83/24/59/1007832459.db2.gz OOJREPZFLFUDMV-LLVKDONJSA-N 1 2 408.252 3.694 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(Nc2cccc(C)c2)CC1 ZINC000533531167 1007851335 /nfs/dbraw/zinc/85/13/35/1007851335.db2.gz QVNCVOXEVNDWHP-MRXNPFEDSA-N 1 2 412.490 3.815 20 5 HHBDLO COc1cc(C[NH2+]Cc2cccc(N(C)C)n2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000533639218 1007947087 /nfs/dbraw/zinc/94/70/87/1007947087.db2.gz VOPKXDLVONFANS-UHFFFAOYSA-N 1 2 422.485 3.933 20 5 HHBDLO C[C@@H](Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000533788722 1008111698 /nfs/dbraw/zinc/11/16/98/1008111698.db2.gz KEDXVTQLHYIWNB-OAHLLOKOSA-N 1 2 403.442 3.949 20 5 HHBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)n2)C1 ZINC000533876532 1008174469 /nfs/dbraw/zinc/17/44/69/1008174469.db2.gz PEBSNPNNLPTQLF-AWEZNQCLSA-N 1 2 415.519 3.873 20 5 HHBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)n2)C1 ZINC000533876532 1008174473 /nfs/dbraw/zinc/17/44/73/1008174473.db2.gz PEBSNPNNLPTQLF-AWEZNQCLSA-N 1 2 415.519 3.873 20 5 HHBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000539918899 1008184416 /nfs/dbraw/zinc/18/44/16/1008184416.db2.gz XVYVNABFQTYPIU-XLIONFOSSA-N 1 2 403.429 3.973 20 5 HHBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000539918899 1008184418 /nfs/dbraw/zinc/18/44/18/1008184418.db2.gz XVYVNABFQTYPIU-XLIONFOSSA-N 1 2 403.429 3.973 20 5 HHBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000539918898 1008184563 /nfs/dbraw/zinc/18/45/63/1008184563.db2.gz XVYVNABFQTYPIU-PXNSSMCTSA-N 1 2 403.429 3.973 20 5 HHBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000539918898 1008184566 /nfs/dbraw/zinc/18/45/66/1008184566.db2.gz XVYVNABFQTYPIU-PXNSSMCTSA-N 1 2 403.429 3.973 20 5 HHBDLO COc1ccc(S(=O)(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c([N+](=O)[O-])c1 ZINC000540331231 1008383561 /nfs/dbraw/zinc/38/35/61/1008383561.db2.gz QLVMEOTURVAMCG-OAHLLOKOSA-N 1 2 419.503 3.779 20 5 HHBDLO COc1ccc(S(=O)(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c([N+](=O)[O-])c1 ZINC000540331231 1008383563 /nfs/dbraw/zinc/38/35/63/1008383563.db2.gz QLVMEOTURVAMCG-OAHLLOKOSA-N 1 2 419.503 3.779 20 5 HHBDLO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)ccc2NC1=O ZINC000540458780 1008440260 /nfs/dbraw/zinc/44/02/60/1008440260.db2.gz PPAMGWPLTCWPIE-SJKOYZFVSA-N 1 2 423.429 3.605 20 5 HHBDLO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543041132 1008623375 /nfs/dbraw/zinc/62/33/75/1008623375.db2.gz MEZOAEMFIFVKIO-UHFFFAOYSA-N 1 2 419.913 3.889 20 5 HHBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)c1 ZINC000519594171 1008924658 /nfs/dbraw/zinc/92/46/58/1008924658.db2.gz ZNTCVFUGEFWIFV-AWEZNQCLSA-N 1 2 400.357 3.689 20 5 HHBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)c1 ZINC000519594171 1008924674 /nfs/dbraw/zinc/92/46/74/1008924674.db2.gz ZNTCVFUGEFWIFV-AWEZNQCLSA-N 1 2 400.357 3.689 20 5 HHBDLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)s1 ZINC000543510097 1009099169 /nfs/dbraw/zinc/09/91/69/1009099169.db2.gz XZXFVIDKRJHRQA-UHFFFAOYSA-N 1 2 413.297 3.586 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c1 ZINC000549552645 1009170232 /nfs/dbraw/zinc/17/02/32/1009170232.db2.gz IHWBEYQCWZUZAK-CYBMUJFWSA-N 1 2 404.492 3.934 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c1 ZINC000549552645 1009170240 /nfs/dbraw/zinc/17/02/40/1009170240.db2.gz IHWBEYQCWZUZAK-CYBMUJFWSA-N 1 2 404.492 3.934 20 5 HHBDLO CO[C@@H](C)CCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000543863738 1009430746 /nfs/dbraw/zinc/43/07/46/1009430746.db2.gz XMPBGKJFBUGCBK-INIZCTEOSA-N 1 2 417.531 3.783 20 5 HHBDLO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(-n2cccn2)c(F)c1 ZINC000549831157 1009441706 /nfs/dbraw/zinc/44/17/06/1009441706.db2.gz PFKZWDCFOSJGSB-CYBMUJFWSA-N 1 2 408.393 3.820 20 5 HHBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)Cn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000544049465 1009652175 /nfs/dbraw/zinc/65/21/75/1009652175.db2.gz VUFQPMGROMWRNP-SFHVURJKSA-N 1 2 418.453 3.997 20 5 HHBDLO Cc1cc(Br)cn2cc(CCNC(=O)c3ccc([N+](=O)[O-])cc3C)[nH+]c12 ZINC000546768236 1009736068 /nfs/dbraw/zinc/73/60/68/1009736068.db2.gz FWDXMXCVNMBASC-UHFFFAOYSA-N 1 2 417.263 3.594 20 5 HHBDLO Cc1c(Br)c(NCc2ccc(Cn3cc[nH+]c3)cc2)ncc1[N+](=O)[O-] ZINC000544409961 1010028452 /nfs/dbraw/zinc/02/84/52/1010028452.db2.gz VGCKREJYXUPEDU-UHFFFAOYSA-N 1 2 402.252 3.918 20 5 HHBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000544493459 1010117446 /nfs/dbraw/zinc/11/74/46/1010117446.db2.gz VJFPUUAHUINRIO-JKSUJKDBSA-N 1 2 415.465 3.751 20 5 HHBDLO CCO[C@@H](C)c1nc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)cs1 ZINC000544611765 1010237093 /nfs/dbraw/zinc/23/70/93/1010237093.db2.gz WVXPYTZMBMUATQ-INIZCTEOSA-N 1 2 404.536 3.775 20 5 HHBDLO CC(C)(C)c1nc(CN2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000521347973 1010322528 /nfs/dbraw/zinc/32/25/28/1010322528.db2.gz ADUAKVIWGDDRBC-UHFFFAOYSA-N 1 2 404.536 3.545 20 5 HHBDLO CC(C)(c1nc(-c2ccccc2C[NH+]2CCOCC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000544998540 1010544903 /nfs/dbraw/zinc/54/49/03/1010544903.db2.gz OQISGMYHLHZBNL-UHFFFAOYSA-N 1 2 408.458 3.803 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)n2)c1 ZINC000540590353 1011245937 /nfs/dbraw/zinc/24/59/37/1011245937.db2.gz JKSLBUKSHIYDFL-HXUWFJFHSA-N 1 2 408.414 3.657 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536124235 1011246692 /nfs/dbraw/zinc/24/66/92/1011246692.db2.gz RNEZCYNRKDNCFG-RBUKOAKNSA-N 1 2 420.872 3.674 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536124235 1011246715 /nfs/dbraw/zinc/24/67/15/1011246715.db2.gz RNEZCYNRKDNCFG-RBUKOAKNSA-N 1 2 420.872 3.674 20 5 HHBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000540770491 1011426587 /nfs/dbraw/zinc/42/65/87/1011426587.db2.gz GGYXZMIEWVFKHV-UHFFFAOYSA-N 1 2 409.552 3.670 20 5 HHBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000523145204 1011618879 /nfs/dbraw/zinc/61/88/79/1011618879.db2.gz TVJLMMBIXKUPII-INIZCTEOSA-N 1 2 415.515 3.855 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)n2)cc1 ZINC000541130091 1011788808 /nfs/dbraw/zinc/78/88/08/1011788808.db2.gz XXYLDQAWIMTALD-CQSZACIVSA-N 1 2 422.367 3.697 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)n2)cc1 ZINC000541130091 1011788813 /nfs/dbraw/zinc/78/88/13/1011788813.db2.gz XXYLDQAWIMTALD-CQSZACIVSA-N 1 2 422.367 3.697 20 5 HHBDLO Cn1ccnc1[C@H]([NH2+]CCOCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000552061192 1012079379 /nfs/dbraw/zinc/07/93/79/1012079379.db2.gz ANEUPSWMBAPSDE-LJQANCHMSA-N 1 2 400.866 3.878 20 5 HHBDLO Cn1ccnc1[C@@H]([NH2+]CCOCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000552061191 1012079771 /nfs/dbraw/zinc/07/97/71/1012079771.db2.gz ANEUPSWMBAPSDE-IBGZPJMESA-N 1 2 400.866 3.878 20 5 HHBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000523549665 1012085825 /nfs/dbraw/zinc/08/58/25/1012085825.db2.gz VYWPONXZOUXIOB-QGZVFWFLSA-N 1 2 411.502 3.786 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542007927 1012890313 /nfs/dbraw/zinc/89/03/13/1012890313.db2.gz FZHQMXGDBOTDOX-WMZOPIPTSA-N 1 2 408.380 3.969 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542007927 1012890335 /nfs/dbraw/zinc/89/03/35/1012890335.db2.gz FZHQMXGDBOTDOX-WMZOPIPTSA-N 1 2 408.380 3.969 20 5 HHBDLO CC1(C)C[N@H+](CCNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CCO1 ZINC000524223360 1013032457 /nfs/dbraw/zinc/03/24/57/1013032457.db2.gz OOOQXTNCONKQKF-UHFFFAOYSA-N 1 2 414.462 3.619 20 5 HHBDLO CC1(C)C[N@@H+](CCNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CCO1 ZINC000524223360 1013032475 /nfs/dbraw/zinc/03/24/75/1013032475.db2.gz OOOQXTNCONKQKF-UHFFFAOYSA-N 1 2 414.462 3.619 20 5 HHBDLO O=C(Nc1cc(F)ccc1Br)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001127030223 1072056727 /nfs/dbraw/zinc/05/67/27/1072056727.db2.gz QKMQFYDSRIYNKX-UHFFFAOYSA-N 1 2 405.183 3.934 20 5 HHBDLO COc1cccc(C=C2CC[NH+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c1 ZINC000760410318 1072323484 /nfs/dbraw/zinc/32/34/84/1072323484.db2.gz XBNVTALDZSSRDJ-UHFFFAOYSA-N 1 2 405.458 3.999 20 5 HHBDLO Cc1ccc(Sc2ccc(C(=O)N[C@H]3CCc4c[nH+]cn4C3)cc2[N+](=O)[O-])cc1 ZINC000587035962 1072510536 /nfs/dbraw/zinc/51/05/36/1072510536.db2.gz CJASCVSZJKAEIN-INIZCTEOSA-N 1 2 408.483 3.996 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(Oc4cncc(Cl)c4)CC3)o2)cc1 ZINC000571723266 1072711870 /nfs/dbraw/zinc/71/18/70/1072711870.db2.gz CBXZCVXAXYXBBW-UHFFFAOYSA-N 1 2 415.837 3.737 20 5 HHBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555191644 1073241070 /nfs/dbraw/zinc/24/10/70/1073241070.db2.gz GFHGNGJCOKMCOP-UHFFFAOYSA-N 1 2 418.375 3.831 20 5 HHBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555223965 1073263377 /nfs/dbraw/zinc/26/33/77/1073263377.db2.gz XETQKYWVHMKGBQ-UHFFFAOYSA-N 1 2 404.348 3.788 20 5 HHBDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000590031155 1073485711 /nfs/dbraw/zinc/48/57/11/1073485711.db2.gz JOGLNNWQNVDYIG-UHFFFAOYSA-N 1 2 411.502 3.534 20 5 HHBDLO CC(C)c1ccc(CN(CCC[NH+]2CCOCC2)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000573018620 1074061389 /nfs/dbraw/zinc/06/13/89/1074061389.db2.gz YDOXIEIFEDYPQA-UHFFFAOYSA-N 1 2 412.534 3.838 20 5 HHBDLO CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001126958167 1074142303 /nfs/dbraw/zinc/14/23/03/1074142303.db2.gz HJBLZHZPVSBRRL-UHFFFAOYSA-N 1 2 411.365 3.528 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000573426542 1074392771 /nfs/dbraw/zinc/39/27/71/1074392771.db2.gz RPHCFFLILONJTD-UHFFFAOYSA-N 1 2 412.465 3.508 20 5 HHBDLO COc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000760927621 1074687205 /nfs/dbraw/zinc/68/72/05/1074687205.db2.gz LHIBPVSMASMJEZ-ZDUSSCGKSA-N 1 2 403.866 3.685 20 5 HHBDLO COc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000760927621 1074687207 /nfs/dbraw/zinc/68/72/07/1074687207.db2.gz LHIBPVSMASMJEZ-ZDUSSCGKSA-N 1 2 403.866 3.685 20 5 HHBDLO Cc1cc(N2CCC[N@H+](Cc3cscn3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301151340 970773468 /nfs/dbraw/zinc/77/34/68/970773468.db2.gz NHINDFKKNOVGCT-UHFFFAOYSA-N 1 2 410.503 3.529 20 5 HHBDLO Cc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301151340 970773473 /nfs/dbraw/zinc/77/34/73/970773473.db2.gz NHINDFKKNOVGCT-UHFFFAOYSA-N 1 2 410.503 3.529 20 5 HHBDLO CC(C)[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000301925833 971119581 /nfs/dbraw/zinc/11/95/81/971119581.db2.gz LLYSYGAAYVMFSG-KRWDZBQOSA-N 1 2 423.560 3.555 20 5 HHBDLO CC(C)[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000301925833 971119584 /nfs/dbraw/zinc/11/95/84/971119584.db2.gz LLYSYGAAYVMFSG-KRWDZBQOSA-N 1 2 423.560 3.555 20 5 HHBDLO O=[N+]([O-])c1ccc(C(F)(F)c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000537555957 1013079774 /nfs/dbraw/zinc/07/97/74/1013079774.db2.gz OCHBTDJFYQPTQP-UHFFFAOYSA-N 1 2 416.384 3.617 20 5 HHBDLO Cc1cc(N2CCN(Cc3cc([N+](=O)[O-])ccc3OC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000303263297 971586914 /nfs/dbraw/zinc/58/69/14/971586914.db2.gz PQKQOHPRZWRUGX-UHFFFAOYSA-N 1 2 413.522 3.926 20 5 HHBDLO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303454951 971757385 /nfs/dbraw/zinc/75/73/85/971757385.db2.gz FWZGUMXCKRKCOW-KRWDZBQOSA-N 1 2 405.857 3.711 20 5 HHBDLO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303454951 971757390 /nfs/dbraw/zinc/75/73/90/971757390.db2.gz FWZGUMXCKRKCOW-KRWDZBQOSA-N 1 2 405.857 3.711 20 5 HHBDLO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303475402 971776085 /nfs/dbraw/zinc/77/60/85/971776085.db2.gz JMASTDJEOYKUBR-MRXNPFEDSA-N 1 2 421.856 3.547 20 5 HHBDLO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303475402 971776091 /nfs/dbraw/zinc/77/60/91/971776091.db2.gz JMASTDJEOYKUBR-MRXNPFEDSA-N 1 2 421.856 3.547 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3cccc4c3OCCO4)o2)cc1 ZINC000524305871 1013120619 /nfs/dbraw/zinc/12/06/19/1013120619.db2.gz FFFWTDSNFIHABY-QGZVFWFLSA-N 1 2 408.414 3.753 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3cccc4c3OCCO4)o2)cc1 ZINC000524305871 1013120627 /nfs/dbraw/zinc/12/06/27/1013120627.db2.gz FFFWTDSNFIHABY-QGZVFWFLSA-N 1 2 408.414 3.753 20 5 HHBDLO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000303936095 972516442 /nfs/dbraw/zinc/51/64/42/972516442.db2.gz RPWAIARVPPKZIP-UHFFFAOYSA-N 1 2 408.483 3.791 20 5 HHBDLO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000303936095 972516452 /nfs/dbraw/zinc/51/64/52/972516452.db2.gz RPWAIARVPPKZIP-UHFFFAOYSA-N 1 2 408.483 3.791 20 5 HHBDLO COc1cc(C)c(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000007452808 961196700 /nfs/dbraw/zinc/19/67/00/961196700.db2.gz OBYMMONRGCVNKU-UHFFFAOYSA-N 1 2 407.854 3.644 20 5 HHBDLO COc1cc(C)c(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000007452808 961196701 /nfs/dbraw/zinc/19/67/01/961196701.db2.gz OBYMMONRGCVNKU-UHFFFAOYSA-N 1 2 407.854 3.644 20 5 HHBDLO COc1ccc(C(=O)C2CC[NH+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 ZINC000014325538 962472274 /nfs/dbraw/zinc/47/22/74/962472274.db2.gz ICIASXHITWZSBK-UHFFFAOYSA-N 1 2 422.441 3.748 20 5 HHBDLO C[C@@H](c1nnc(Sc2ccc([N+](=O)[O-])cn2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000023616629 963862628 /nfs/dbraw/zinc/86/26/28/963862628.db2.gz TXCQKAOJNNGWMV-NSHDSACASA-N 1 2 404.883 3.998 20 5 HHBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000542510540 1013455027 /nfs/dbraw/zinc/45/50/27/1013455027.db2.gz HFCSQAQLJSAIRR-OAHLLOKOSA-N 1 2 401.438 3.617 20 5 HHBDLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 ZINC000542580864 1013521711 /nfs/dbraw/zinc/52/17/11/1013521711.db2.gz RCQOFWUVIBPGLY-UHFFFAOYSA-N 1 2 417.516 3.947 20 5 HHBDLO COc1cc(C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)ccc1OC(F)F ZINC000027548628 964917608 /nfs/dbraw/zinc/91/76/08/964917608.db2.gz WHURLGOGVLYZEO-UHFFFAOYSA-N 1 2 421.400 3.808 20 5 HHBDLO COc1cc(C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)ccc1OC(F)F ZINC000027548628 964917609 /nfs/dbraw/zinc/91/76/09/964917609.db2.gz WHURLGOGVLYZEO-UHFFFAOYSA-N 1 2 421.400 3.808 20 5 HHBDLO O=C(C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000027569343 964919465 /nfs/dbraw/zinc/91/94/65/964919465.db2.gz UKYJUELKKZNJIR-AWEZNQCLSA-N 1 2 416.865 3.537 20 5 HHBDLO O=C(C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000027569343 964919473 /nfs/dbraw/zinc/91/94/73/964919473.db2.gz UKYJUELKKZNJIR-AWEZNQCLSA-N 1 2 416.865 3.537 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000542623602 1013560190 /nfs/dbraw/zinc/56/01/90/1013560190.db2.gz WKWKIEDSVIZTEQ-OAHLLOKOSA-N 1 2 409.446 3.556 20 5 HHBDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000029684913 965456456 /nfs/dbraw/zinc/45/64/56/965456456.db2.gz GGCYVMIIQIXQJO-OAHLLOKOSA-N 1 2 402.882 3.566 20 5 HHBDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000029689794 965460302 /nfs/dbraw/zinc/46/03/02/965460302.db2.gz JEAUHTHYIRQKNJ-MRXNPFEDSA-N 1 2 416.909 3.590 20 5 HHBDLO Nc1c(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc(F)cc1[N+](=O)[O-] ZINC000058130878 965634958 /nfs/dbraw/zinc/63/49/58/965634958.db2.gz FALITDAXEIRXAW-MRXNPFEDSA-N 1 2 424.835 3.676 20 5 HHBDLO O=C(c1cccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1)N1CCCCC1 ZINC000054807795 965653230 /nfs/dbraw/zinc/65/32/30/965653230.db2.gz FFGQXDJVCBSBBL-UHFFFAOYSA-N 1 2 408.502 3.543 20 5 HHBDLO O=[N+]([O-])c1cc(F)ccc1/C=C\c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000553760331 1013595178 /nfs/dbraw/zinc/59/51/78/1013595178.db2.gz AUCCDGCTYGMFQH-ALCCZGGFSA-N 1 2 410.405 3.787 20 5 HHBDLO O=C(C[N@@H+]1CC[C@H](Nc2ccccc2)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000060370005 966116835 /nfs/dbraw/zinc/11/68/35/966116835.db2.gz JRHNHXYCVVOJRR-KRWDZBQOSA-N 1 2 423.498 3.843 20 5 HHBDLO O=C(C[N@H+]1CC[C@H](Nc2ccccc2)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000060370005 966116838 /nfs/dbraw/zinc/11/68/38/966116838.db2.gz JRHNHXYCVVOJRR-KRWDZBQOSA-N 1 2 423.498 3.843 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000032052137 966184486 /nfs/dbraw/zinc/18/44/86/966184486.db2.gz USSCZNIAEAIAIA-QGZVFWFLSA-N 1 2 420.425 3.529 20 5 HHBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000032162077 966197338 /nfs/dbraw/zinc/19/73/38/966197338.db2.gz YAWMAAGWWSOZQJ-AWEZNQCLSA-N 1 2 419.441 3.620 20 5 HHBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000032163524 966198324 /nfs/dbraw/zinc/19/83/24/966198324.db2.gz HBOZGKGSHKBCPT-LBPRGKRZSA-N 1 2 402.357 3.873 20 5 HHBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC000060673657 966253636 /nfs/dbraw/zinc/25/36/36/966253636.db2.gz WKXXGKDEQDVAPP-GFCCVEGCSA-N 1 2 402.357 3.873 20 5 HHBDLO COc1cc(OC)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1Cl ZINC000033228084 966398170 /nfs/dbraw/zinc/39/81/70/966398170.db2.gz GYECFHAVUVICEC-UHFFFAOYSA-N 1 2 402.794 3.703 20 5 HHBDLO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C ZINC000064350472 967151471 /nfs/dbraw/zinc/15/14/71/967151471.db2.gz YAPKICBSSRYNDS-UHFFFAOYSA-N 1 2 401.463 3.810 20 5 HHBDLO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C ZINC000064350472 967151476 /nfs/dbraw/zinc/15/14/76/967151476.db2.gz YAPKICBSSRYNDS-UHFFFAOYSA-N 1 2 401.463 3.810 20 5 HHBDLO O=C(NCCc1ccccc1C(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000065139375 967390738 /nfs/dbraw/zinc/39/07/38/967390738.db2.gz SWLLIOPGNRQFIL-UHFFFAOYSA-N 1 2 404.348 3.772 20 5 HHBDLO C[C@H](c1nc2ccccc2s1)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065208964 967405829 /nfs/dbraw/zinc/40/58/29/967405829.db2.gz DUFWQYMXZKVWCI-MRXNPFEDSA-N 1 2 412.515 3.962 20 5 HHBDLO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000046227860 967703002 /nfs/dbraw/zinc/70/30/02/967703002.db2.gz QWHMJYKFMFBJKC-QPJJXVBHSA-N 1 2 414.893 3.518 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)cc1OC ZINC000542914769 1013754462 /nfs/dbraw/zinc/75/44/62/1013754462.db2.gz GSLGILPVOZENCM-FUHWJXTLSA-N 1 2 419.522 3.615 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)cc1OC ZINC000542914769 1013754470 /nfs/dbraw/zinc/75/44/70/1013754470.db2.gz GSLGILPVOZENCM-FUHWJXTLSA-N 1 2 419.522 3.615 20 5 HHBDLO CN(c1ccccc1)C1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000065956955 968737630 /nfs/dbraw/zinc/73/76/30/968737630.db2.gz ADGJYJKUGACTMH-UHFFFAOYSA-N 1 2 402.882 3.788 20 5 HHBDLO CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000068979345 968802492 /nfs/dbraw/zinc/80/24/92/968802492.db2.gz BZANYFYYXMCTFW-UHFFFAOYSA-N 1 2 421.457 3.580 20 5 HHBDLO Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000216195415 970065841 /nfs/dbraw/zinc/06/58/41/970065841.db2.gz JODCQDKUKXLNRW-UHFFFAOYSA-N 1 2 419.441 3.577 20 5 HHBDLO C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)Oc1cccc(Cl)c1 ZINC000303970640 972557871 /nfs/dbraw/zinc/55/78/71/972557871.db2.gz SJYNVCPCHJOCFX-ZDUSSCGKSA-N 1 2 400.822 3.631 20 5 HHBDLO COc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000425985558 974097299 /nfs/dbraw/zinc/09/72/99/974097299.db2.gz RLRWGFPLKUEEAW-WIYYLYMNSA-N 1 2 421.457 3.528 20 5 HHBDLO Cc1[nH]ccc1C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000426172690 974282925 /nfs/dbraw/zinc/28/29/25/974282925.db2.gz PDAYLLGCKAXYMA-UHFFFAOYSA-N 1 2 410.499 3.918 20 5 HHBDLO COCC[N@H+](Cc1ccnn1C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000426524099 974505822 /nfs/dbraw/zinc/50/58/22/974505822.db2.gz QGJLRIIDZNJAMI-UHFFFAOYSA-N 1 2 409.490 3.745 20 5 HHBDLO COCC[N@@H+](Cc1ccnn1C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000426524099 974505845 /nfs/dbraw/zinc/50/58/45/974505845.db2.gz QGJLRIIDZNJAMI-UHFFFAOYSA-N 1 2 409.490 3.745 20 5 HHBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000427150774 974942194 /nfs/dbraw/zinc/94/21/94/974942194.db2.gz ATFDVULIMDLADN-UHFFFAOYSA-N 1 2 402.410 3.752 20 5 HHBDLO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000427687243 975238475 /nfs/dbraw/zinc/23/84/75/975238475.db2.gz HXOVAIUEJAFMJU-MAUKXSAKSA-N 1 2 423.876 3.558 20 5 HHBDLO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000427687243 975238480 /nfs/dbraw/zinc/23/84/80/975238480.db2.gz HXOVAIUEJAFMJU-MAUKXSAKSA-N 1 2 423.876 3.558 20 5 HHBDLO C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)Oc1ccc(Cl)cc1 ZINC000429057594 976344166 /nfs/dbraw/zinc/34/41/66/976344166.db2.gz AVXQRVUUXAPLKP-ZDUSSCGKSA-N 1 2 400.822 3.631 20 5 HHBDLO O=C1[C@H]([NH+]2CCC(c3ncccc3Cl)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000429214335 976508464 /nfs/dbraw/zinc/50/84/64/976508464.db2.gz XJDUCBLLRIOZPO-GOSISDBHSA-N 1 2 400.866 3.628 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000429283218 976566493 /nfs/dbraw/zinc/56/64/93/976566493.db2.gz INEYFLWHNXMZHU-UHFFFAOYSA-N 1 2 404.470 3.982 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000429283218 976566500 /nfs/dbraw/zinc/56/65/00/976566500.db2.gz INEYFLWHNXMZHU-UHFFFAOYSA-N 1 2 404.470 3.982 20 5 HHBDLO CCOc1cc(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])cc1OCC ZINC000429492778 976751080 /nfs/dbraw/zinc/75/10/80/976751080.db2.gz PEQPKHJIOBCWBY-UHFFFAOYSA-N 1 2 417.466 3.589 20 5 HHBDLO Cc1cc(OCC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000430400382 977523745 /nfs/dbraw/zinc/52/37/45/977523745.db2.gz JGUUBTCNTDAJHS-IAGOWNOFSA-N 1 2 413.474 3.530 20 5 HHBDLO Cc1cc(OCC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)ccc1[N+](=O)[O-] ZINC000430825369 977780284 /nfs/dbraw/zinc/78/02/84/977780284.db2.gz SKZAXISFBKQADK-UHFFFAOYSA-N 1 2 404.426 3.836 20 5 HHBDLO COc1ccc([C@H](CNc2ccnc3c2cccc3[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000432314815 978757609 /nfs/dbraw/zinc/75/76/09/978757609.db2.gz RWZMMWQJPHVJAN-NRFANRHFSA-N 1 2 408.458 3.637 20 5 HHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432642858 978922644 /nfs/dbraw/zinc/92/26/44/978922644.db2.gz IFQJJSIGSFHNAF-UHFFFAOYSA-N 1 2 405.183 3.934 20 5 HHBDLO C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@](=O)C1 ZINC000433030961 979047442 /nfs/dbraw/zinc/04/74/42/979047442.db2.gz LZNPGWYRQNNYIY-ZOKDDAQRSA-N 1 2 424.526 3.648 20 5 HHBDLO C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@](=O)C1 ZINC000433030961 979047446 /nfs/dbraw/zinc/04/74/46/979047446.db2.gz LZNPGWYRQNNYIY-ZOKDDAQRSA-N 1 2 424.526 3.648 20 5 HHBDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000433034300 979048105 /nfs/dbraw/zinc/04/81/05/979048105.db2.gz XYXCHUKKDKKUCT-ZQHDKMAOSA-N 1 2 424.526 3.790 20 5 HHBDLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000433034300 979048108 /nfs/dbraw/zinc/04/81/08/979048108.db2.gz XYXCHUKKDKKUCT-ZQHDKMAOSA-N 1 2 424.526 3.790 20 5 HHBDLO C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000433048023 979051507 /nfs/dbraw/zinc/05/15/07/979051507.db2.gz YRYBTVRHHMZFLG-NOVUIFNWSA-N 1 2 424.526 3.790 20 5 HHBDLO C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000433048023 979051510 /nfs/dbraw/zinc/05/15/10/979051510.db2.gz YRYBTVRHHMZFLG-NOVUIFNWSA-N 1 2 424.526 3.790 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3ncc(C)s3)CC2)c([N+](=O)[O-])c1 ZINC000433158218 979106511 /nfs/dbraw/zinc/10/65/11/979106511.db2.gz IZYYPKJGGWAHPY-CYBMUJFWSA-N 1 2 404.492 3.575 20 5 HHBDLO CCCOc1ccc2c(c1)CCN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)C2 ZINC000435455124 980872492 /nfs/dbraw/zinc/87/24/92/980872492.db2.gz SSJHRPIDUDBRMU-UHFFFAOYSA-N 1 2 406.442 3.768 20 5 HHBDLO CC(=O)N1CC[NH+](Cc2ccccc2NCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000435894879 981081005 /nfs/dbraw/zinc/08/10/05/981081005.db2.gz XXAYFDWHEYSFEU-UHFFFAOYSA-N 1 2 402.882 3.524 20 5 HHBDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436102125 981201000 /nfs/dbraw/zinc/20/10/00/981201000.db2.gz QTIONMVNIKIWAL-UHFFFAOYSA-N 1 2 416.456 3.614 20 5 HHBDLO Cc1cc[nH]c1C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000436122797 981209462 /nfs/dbraw/zinc/20/94/62/981209462.db2.gz JPTZLQCHABCLMT-UHFFFAOYSA-N 1 2 410.499 3.918 20 5 HHBDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000436164780 981229840 /nfs/dbraw/zinc/22/98/40/981229840.db2.gz VQWQINPJMXCGMV-UHFFFAOYSA-N 1 2 406.398 3.776 20 5 HHBDLO O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000436357079 981322168 /nfs/dbraw/zinc/32/21/68/981322168.db2.gz CLRUEFYYUIJZGK-LBPRGKRZSA-N 1 2 408.408 3.702 20 5 HHBDLO O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000436363474 981326546 /nfs/dbraw/zinc/32/65/46/981326546.db2.gz GOZDGIMEYJDKQC-LBPRGKRZSA-N 1 2 408.408 3.702 20 5 HHBDLO O=C(Nc1ccnn1-c1ccc(Cl)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000437076318 981747377 /nfs/dbraw/zinc/74/73/77/981747377.db2.gz OAWQNYLRHPCCCG-UHFFFAOYSA-N 1 2 408.805 3.872 20 5 HHBDLO CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000461206589 982920703 /nfs/dbraw/zinc/92/07/03/982920703.db2.gz IISLBBOTXLPOKN-GOSISDBHSA-N 1 2 405.458 3.522 20 5 HHBDLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)cc2)c1C ZINC000461207302 982921326 /nfs/dbraw/zinc/92/13/26/982921326.db2.gz JEOXRHFOFXFHPO-UHFFFAOYSA-N 1 2 400.460 3.815 20 5 HHBDLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)cc2)c1C ZINC000461208225 982922001 /nfs/dbraw/zinc/92/20/01/982922001.db2.gz IFOBPWNNCRMBTD-UHFFFAOYSA-N 1 2 400.460 3.815 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000438668499 982987588 /nfs/dbraw/zinc/98/75/88/982987588.db2.gz NQKZCNNPJKYABI-JOCHJYFZSA-N 1 2 418.453 3.811 20 5 HHBDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000439775136 983533774 /nfs/dbraw/zinc/53/37/74/983533774.db2.gz MQASOKQUGLYNGA-ZHRRBRCNSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000439775136 983533777 /nfs/dbraw/zinc/53/37/77/983533777.db2.gz MQASOKQUGLYNGA-ZHRRBRCNSA-N 1 2 410.518 3.979 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000439897650 983575375 /nfs/dbraw/zinc/57/53/75/983575375.db2.gz HZHAUXROBCYECH-UHFFFAOYSA-N 1 2 413.478 3.938 20 5 HHBDLO COCc1nc(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])c(-c2ccccc2)s1 ZINC000441371575 984214897 /nfs/dbraw/zinc/21/48/97/984214897.db2.gz MDFDRSQFNPPQQE-UHFFFAOYSA-N 1 2 415.471 3.869 20 5 HHBDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@H](C)C1 ZINC000442892486 985264873 /nfs/dbraw/zinc/26/48/73/985264873.db2.gz FDKGXOQTOOPCLW-MRXNPFEDSA-N 1 2 422.485 3.821 20 5 HHBDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@H](C)C1 ZINC000442892486 985264884 /nfs/dbraw/zinc/26/48/84/985264884.db2.gz FDKGXOQTOOPCLW-MRXNPFEDSA-N 1 2 422.485 3.821 20 5 HHBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000462513834 985464411 /nfs/dbraw/zinc/46/44/11/985464411.db2.gz TXQOOZPYRPWPKB-HXUWFJFHSA-N 1 2 410.518 3.550 20 5 HHBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000462513832 985464633 /nfs/dbraw/zinc/46/46/33/985464633.db2.gz TXQOOZPYRPWPKB-FQEVSTJZSA-N 1 2 410.518 3.550 20 5 HHBDLO COc1ccc([C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c2ccccc2OC)cc1 ZINC000443457328 985627910 /nfs/dbraw/zinc/62/79/10/985627910.db2.gz SUIVOOMMDYZBCJ-QFIPXVFZSA-N 1 2 421.453 3.590 20 5 HHBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCCc3ccccc3[N+](=O)[O-])n2)C1 ZINC000467985833 985631575 /nfs/dbraw/zinc/63/15/75/985631575.db2.gz VDTKYVFDBICEGQ-AWEZNQCLSA-N 1 2 403.508 3.647 20 5 HHBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCc3ccccc3[N+](=O)[O-])n2)C1 ZINC000467985833 985631588 /nfs/dbraw/zinc/63/15/88/985631588.db2.gz VDTKYVFDBICEGQ-AWEZNQCLSA-N 1 2 403.508 3.647 20 5 HHBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443559653 985731021 /nfs/dbraw/zinc/73/10/21/985731021.db2.gz NPGINZCCTOOGPB-UHFFFAOYSA-N 1 2 408.285 3.619 20 5 HHBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443559653 985731028 /nfs/dbraw/zinc/73/10/28/985731028.db2.gz NPGINZCCTOOGPB-UHFFFAOYSA-N 1 2 408.285 3.619 20 5 HHBDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000444166656 986341824 /nfs/dbraw/zinc/34/18/24/986341824.db2.gz JUAVJOMYQQAXIP-HNNXBMFYSA-N 1 2 402.882 3.566 20 5 HHBDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000444169407 986344805 /nfs/dbraw/zinc/34/48/05/986344805.db2.gz RMFUCJGNYBLDOW-MRXNPFEDSA-N 1 2 416.909 3.590 20 5 HHBDLO C[C@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C[C@@H]1n1cc[nH+]c1 ZINC000444227493 986414233 /nfs/dbraw/zinc/41/42/33/986414233.db2.gz QNYPYNOCMMATOP-RBZFPXEDSA-N 1 2 422.435 3.879 20 5 HHBDLO O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000444229975 986416732 /nfs/dbraw/zinc/41/67/32/986416732.db2.gz WVECLLNNYDADFC-HNNXBMFYSA-N 1 2 421.403 3.648 20 5 HHBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444252898 986448753 /nfs/dbraw/zinc/44/87/53/986448753.db2.gz XSSPRAYMQSFZOC-HNNXBMFYSA-N 1 2 418.472 3.649 20 5 HHBDLO COc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000444332089 986510218 /nfs/dbraw/zinc/51/02/18/986510218.db2.gz YIJSUVIWTJUZGK-DOTOQJQBSA-N 1 2 407.829 3.571 20 5 HHBDLO COc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000444332089 986510226 /nfs/dbraw/zinc/51/02/26/986510226.db2.gz YIJSUVIWTJUZGK-DOTOQJQBSA-N 1 2 407.829 3.571 20 5 HHBDLO COc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000444332090 986510262 /nfs/dbraw/zinc/51/02/62/986510262.db2.gz YIJSUVIWTJUZGK-NVXWUHKLSA-N 1 2 407.829 3.571 20 5 HHBDLO COc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000444332090 986510263 /nfs/dbraw/zinc/51/02/63/986510263.db2.gz YIJSUVIWTJUZGK-NVXWUHKLSA-N 1 2 407.829 3.571 20 5 HHBDLO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000469118526 986835885 /nfs/dbraw/zinc/83/58/85/986835885.db2.gz UDXZFTXQCWSSEL-UHFFFAOYSA-N 1 2 405.458 3.696 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000469345407 987050288 /nfs/dbraw/zinc/05/02/88/987050288.db2.gz PYTBAYSSHLCEHS-LJQANCHMSA-N 1 2 412.833 3.648 20 5 HHBDLO CC1CCN(c2ccc(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc2[N+](=O)[O-])CC1 ZINC000469396784 987094741 /nfs/dbraw/zinc/09/47/41/987094741.db2.gz BTGYRHKBKLUJOF-LAUBAEHRSA-N 1 2 411.506 3.751 20 5 HHBDLO O=C(CCn1cc[nH+]c1)Nc1cccc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)c1 ZINC000445475231 987539408 /nfs/dbraw/zinc/53/94/08/987539408.db2.gz YEMGZALCRFTAIY-UHFFFAOYSA-N 1 2 410.415 3.599 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nc(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)cs2)cc1 ZINC000445814763 987876430 /nfs/dbraw/zinc/87/64/30/987876430.db2.gz CAFJXZGHMQABGW-GDBMZVCRSA-N 1 2 413.459 3.694 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nc(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)cs2)cc1 ZINC000445814763 987876437 /nfs/dbraw/zinc/87/64/37/987876437.db2.gz CAFJXZGHMQABGW-GDBMZVCRSA-N 1 2 413.459 3.694 20 5 HHBDLO COc1cc(C[NH+]2CCC(NC(=O)c3ccc(C)s3)CC2)c([N+](=O)[O-])cc1F ZINC000464679373 988881606 /nfs/dbraw/zinc/88/16/06/988881606.db2.gz VTTMMOVUGPOYRV-UHFFFAOYSA-N 1 2 407.467 3.507 20 5 HHBDLO COc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)c([N+](=O)[O-])cc1F ZINC000464685686 988891739 /nfs/dbraw/zinc/89/17/39/988891739.db2.gz WXPGCHFQBJEISG-KRWDZBQOSA-N 1 2 416.453 3.919 20 5 HHBDLO COc1cc(C[N@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)c([N+](=O)[O-])cc1F ZINC000464685686 988891760 /nfs/dbraw/zinc/89/17/60/988891760.db2.gz WXPGCHFQBJEISG-KRWDZBQOSA-N 1 2 416.453 3.919 20 5 HHBDLO Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000464693611 988902455 /nfs/dbraw/zinc/90/24/55/988902455.db2.gz GIMUKNADTYNNIJ-DENIHFKCSA-N 1 2 420.469 3.987 20 5 HHBDLO O=C(COc1ccc([N+](=O)[O-])c2ccccc12)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000464798447 989028260 /nfs/dbraw/zinc/02/82/60/989028260.db2.gz RQHYIBSJWRKIBR-UHFFFAOYSA-N 1 2 421.453 3.598 20 5 HHBDLO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000471607988 989812131 /nfs/dbraw/zinc/81/21/31/989812131.db2.gz ANELRDQYLSDWGR-LPHOPBHVSA-N 1 2 407.474 3.793 20 5 HHBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465734718 990120507 /nfs/dbraw/zinc/12/05/07/990120507.db2.gz AARLJTFUEWKHES-UHFFFAOYSA-N 1 2 421.457 3.534 20 5 HHBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000466137217 991317666 /nfs/dbraw/zinc/31/76/66/991317666.db2.gz AWLQFNGQEPRABM-IAGOWNOFSA-N 1 2 412.490 3.568 20 5 HHBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2ccncc2OCC(F)(F)F)c1 ZINC000466417688 991708859 /nfs/dbraw/zinc/70/88/59/991708859.db2.gz QOEGGPATQDGELQ-UHFFFAOYSA-N 1 2 407.295 3.822 20 5 HHBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cn(-c4ccc(Cl)cc4)nn3)CC2)cc1 ZINC000466957708 992267704 /nfs/dbraw/zinc/26/77/04/992267704.db2.gz LSWUDEVNPSLBTO-UHFFFAOYSA-N 1 2 413.865 3.872 20 5 HHBDLO O=C(C[C@@H]1COCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000473041291 993959799 /nfs/dbraw/zinc/95/97/99/993959799.db2.gz KUKQAOWUGRSHNM-HXUWFJFHSA-N 1 2 421.453 3.766 20 5 HHBDLO O=C(C[C@@H]1COCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000473041291 993959811 /nfs/dbraw/zinc/95/98/11/993959811.db2.gz KUKQAOWUGRSHNM-HXUWFJFHSA-N 1 2 421.453 3.766 20 5 HHBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000481633154 994499429 /nfs/dbraw/zinc/49/94/29/994499429.db2.gz YEGBMZQVHOVKLP-UHFFFAOYSA-N 1 2 402.520 3.848 20 5 HHBDLO COc1c(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000474597117 995554999 /nfs/dbraw/zinc/55/49/99/995554999.db2.gz MEZBQXRIOOMNCZ-UHFFFAOYSA-N 1 2 403.866 3.605 20 5 HHBDLO COc1c(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000474597117 995555007 /nfs/dbraw/zinc/55/50/07/995555007.db2.gz MEZBQXRIOOMNCZ-UHFFFAOYSA-N 1 2 403.866 3.605 20 5 HHBDLO CC(C)(C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000474646908 995592168 /nfs/dbraw/zinc/59/21/68/995592168.db2.gz KHJYBSRUBVFYRH-UHFFFAOYSA-N 1 2 401.894 3.700 20 5 HHBDLO CC(C)(C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000474646908 995592179 /nfs/dbraw/zinc/59/21/79/995592179.db2.gz KHJYBSRUBVFYRH-UHFFFAOYSA-N 1 2 401.894 3.700 20 5 HHBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000482699874 995690079 /nfs/dbraw/zinc/69/00/79/995690079.db2.gz ONKJYQPYNPCEJF-WMZOPIPTSA-N 1 2 407.257 3.868 20 5 HHBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000482699874 995690081 /nfs/dbraw/zinc/69/00/81/995690081.db2.gz ONKJYQPYNPCEJF-WMZOPIPTSA-N 1 2 407.257 3.868 20 5 HHBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](CO)c3ccc(Cl)cc3C(F)(F)F)nc2c1 ZINC000483274154 996074791 /nfs/dbraw/zinc/07/47/91/996074791.db2.gz UYDQYSIMKYDQJB-OAHLLOKOSA-N 1 2 414.771 3.967 20 5 HHBDLO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000475715275 996318423 /nfs/dbraw/zinc/31/84/23/996318423.db2.gz LUTKAIAHWJQYNJ-UHFFFAOYSA-N 1 2 418.409 3.973 20 5 HHBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000476124372 996615899 /nfs/dbraw/zinc/61/58/99/996615899.db2.gz YORMXRXGJUOCCC-IBGZPJMESA-N 1 2 418.425 3.805 20 5 HHBDLO CC1(C)C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2ccc(F)cc2O1 ZINC000484868438 997232594 /nfs/dbraw/zinc/23/25/94/997232594.db2.gz YQVUKXYEARQESG-MRXNPFEDSA-N 1 2 410.405 3.952 20 5 HHBDLO COc1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1SC ZINC000484938945 997314568 /nfs/dbraw/zinc/31/45/68/997314568.db2.gz YSXOUIRDXORCCF-UHFFFAOYSA-N 1 2 412.471 3.500 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000485319874 997730994 /nfs/dbraw/zinc/73/09/94/997730994.db2.gz XFBRBGLPVKHUSZ-UHFFFAOYSA-N 1 2 404.430 3.792 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485658450 998107730 /nfs/dbraw/zinc/10/77/30/998107730.db2.gz VFGSNBXWRGRWBV-UHFFFAOYSA-N 1 2 420.416 3.902 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000485708902 998175067 /nfs/dbraw/zinc/17/50/67/998175067.db2.gz OAZOHYXMWYCLDB-LJQANCHMSA-N 1 2 410.518 3.837 20 5 HHBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000485723625 998195071 /nfs/dbraw/zinc/19/50/71/998195071.db2.gz POZLMFPLKLOJJE-WMZOPIPTSA-N 1 2 407.442 3.770 20 5 HHBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000485723625 998195078 /nfs/dbraw/zinc/19/50/78/998195078.db2.gz POZLMFPLKLOJJE-WMZOPIPTSA-N 1 2 407.442 3.770 20 5 HHBDLO CCS[C@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000485973043 998414096 /nfs/dbraw/zinc/41/40/96/998414096.db2.gz ASNBAGFIJNQMQF-CYBMUJFWSA-N 1 2 407.496 3.561 20 5 HHBDLO CCS[C@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000485973043 998414099 /nfs/dbraw/zinc/41/40/99/998414099.db2.gz ASNBAGFIJNQMQF-CYBMUJFWSA-N 1 2 407.496 3.561 20 5 HHBDLO C[N@@H+]1CC[C@@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1c1ccc(F)c(F)c1 ZINC000485994469 998437874 /nfs/dbraw/zinc/43/78/74/998437874.db2.gz PPMFSKOBGBBGDG-IAGOWNOFSA-N 1 2 401.373 3.780 20 5 HHBDLO C[N@H+]1CC[C@@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1c1ccc(F)c(F)c1 ZINC000485994469 998437875 /nfs/dbraw/zinc/43/78/75/998437875.db2.gz PPMFSKOBGBBGDG-IAGOWNOFSA-N 1 2 401.373 3.780 20 5 HHBDLO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000486688293 998892844 /nfs/dbraw/zinc/89/28/44/998892844.db2.gz NRLKGMBWIQEXNA-UHFFFAOYSA-N 1 2 405.458 3.950 20 5 HHBDLO Cc1csc(Sc2ccc(C(=O)N(C)CCCn3cc[nH+]c3)cc2[N+](=O)[O-])n1 ZINC000488281444 999422371 /nfs/dbraw/zinc/42/23/71/999422371.db2.gz OPPGSIOZYGLHIK-UHFFFAOYSA-N 1 2 417.516 3.870 20 5 HHBDLO Cc1c(CNC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cccc1[N+](=O)[O-] ZINC000479552464 999474145 /nfs/dbraw/zinc/47/41/45/999474145.db2.gz HLFMOWJLWSEJRC-CYBMUJFWSA-N 1 2 403.508 3.913 20 5 HHBDLO Cc1c(CNC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cccc1[N+](=O)[O-] ZINC000479552464 999474146 /nfs/dbraw/zinc/47/41/46/999474146.db2.gz HLFMOWJLWSEJRC-CYBMUJFWSA-N 1 2 403.508 3.913 20 5 HHBDLO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000479784390 999590618 /nfs/dbraw/zinc/59/06/18/999590618.db2.gz OMUJKIDNWMSJBO-YHJVDBJQSA-N 1 2 418.444 3.987 20 5 HHBDLO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000479784390 999590621 /nfs/dbraw/zinc/59/06/21/999590621.db2.gz OMUJKIDNWMSJBO-YHJVDBJQSA-N 1 2 418.444 3.987 20 5 HHBDLO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000479788142 999593208 /nfs/dbraw/zinc/59/32/08/999593208.db2.gz XUOSSGNEGYVLHJ-YXKWSERDSA-N 1 2 404.417 3.679 20 5 HHBDLO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000479788142 999593213 /nfs/dbraw/zinc/59/32/13/999593213.db2.gz XUOSSGNEGYVLHJ-YXKWSERDSA-N 1 2 404.417 3.679 20 5 HHBDLO Cc1ccc([C@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000488796432 999611127 /nfs/dbraw/zinc/61/11/27/999611127.db2.gz KVSHARFKKSMUQU-SFHVURJKSA-N 1 2 423.922 3.672 20 5 HHBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000489015240 999672360 /nfs/dbraw/zinc/67/23/60/999672360.db2.gz PQOXQDPSQVWBJT-BBRMVZONSA-N 1 2 413.409 3.783 20 5 HHBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000489015240 999672364 /nfs/dbraw/zinc/67/23/64/999672364.db2.gz PQOXQDPSQVWBJT-BBRMVZONSA-N 1 2 413.409 3.783 20 5 HHBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000489015242 999672423 /nfs/dbraw/zinc/67/24/23/999672423.db2.gz PQOXQDPSQVWBJT-CJNGLKHVSA-N 1 2 413.409 3.783 20 5 HHBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000489015242 999672426 /nfs/dbraw/zinc/67/24/26/999672426.db2.gz PQOXQDPSQVWBJT-CJNGLKHVSA-N 1 2 413.409 3.783 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000489199258 999720788 /nfs/dbraw/zinc/72/07/88/999720788.db2.gz SNLZMBZODRJNFI-LBPRGKRZSA-N 1 2 407.268 3.692 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000489199258 999720789 /nfs/dbraw/zinc/72/07/89/999720789.db2.gz SNLZMBZODRJNFI-LBPRGKRZSA-N 1 2 407.268 3.692 20 5 HHBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000489206424 999722328 /nfs/dbraw/zinc/72/23/28/999722328.db2.gz PEVDJWPQJDOILX-PZJWPPBQSA-N 1 2 415.877 3.775 20 5 HHBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000489206424 999722329 /nfs/dbraw/zinc/72/23/29/999722329.db2.gz PEVDJWPQJDOILX-PZJWPPBQSA-N 1 2 415.877 3.775 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)c1C ZINC000489486949 999776751 /nfs/dbraw/zinc/77/67/51/999776751.db2.gz WRJMJQNKTVRJPV-UHFFFAOYSA-N 1 2 403.504 3.917 20 5 HHBDLO Cc1ccc([C@H](C)NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000489882179 999854499 /nfs/dbraw/zinc/85/44/99/999854499.db2.gz HGQGGKVNKSUAPF-KRWDZBQOSA-N 1 2 407.474 3.751 20 5 HHBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc(Br)cc1 ZINC000490023017 999879784 /nfs/dbraw/zinc/87/97/84/999879784.db2.gz DNCURPDXUFVBDK-UHFFFAOYSA-N 1 2 404.264 3.960 20 5 HHBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc(Br)cc1 ZINC000490023017 999879785 /nfs/dbraw/zinc/87/97/85/999879785.db2.gz DNCURPDXUFVBDK-UHFFFAOYSA-N 1 2 404.264 3.960 20 5 HHBDLO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nc(C(F)(F)F)cs1 ZINC000490047370 999884592 /nfs/dbraw/zinc/88/45/92/999884592.db2.gz SMVBKOQEYUTWMO-JOYOIKCWSA-N 1 2 400.382 3.526 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)c([N+](=O)[O-])c1 ZINC000490050469 999885303 /nfs/dbraw/zinc/88/53/03/999885303.db2.gz ZOVFRWPRJZBSSS-IUCAKERBSA-N 1 2 418.397 3.757 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000490054553 999886171 /nfs/dbraw/zinc/88/61/71/999886171.db2.gz CPZIXVAVWQIXPD-DTWKUNHWSA-N 1 2 418.397 3.757 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@H+](C)[C@H](COC)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000490098092 999892845 /nfs/dbraw/zinc/89/28/45/999892845.db2.gz WZYNYUJUEFDKGT-LJQANCHMSA-N 1 2 421.881 3.905 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H](COC)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000490098092 999892847 /nfs/dbraw/zinc/89/28/47/999892847.db2.gz WZYNYUJUEFDKGT-LJQANCHMSA-N 1 2 421.881 3.905 20 5 HHBDLO COc1ccc([C@H](NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C2CC2)cc1 ZINC000490823295 1000012145 /nfs/dbraw/zinc/01/21/45/1000012145.db2.gz FCKGOWBXYBISEK-HSZRJFAPSA-N 1 2 409.486 3.835 20 5 HHBDLO COc1ccc([C@H](NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C2CC2)cc1 ZINC000490823295 1000012147 /nfs/dbraw/zinc/01/21/47/1000012147.db2.gz FCKGOWBXYBISEK-HSZRJFAPSA-N 1 2 409.486 3.835 20 5 HHBDLO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000491089628 1000044206 /nfs/dbraw/zinc/04/42/06/1000044206.db2.gz UPYRQUSSYOQNKW-VQIMIIECSA-N 1 2 421.563 3.526 20 5 HHBDLO COc1cc(C[N@H+](C)C[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491920953 1000100768 /nfs/dbraw/zinc/10/07/68/1000100768.db2.gz MFRSKRPDHFKRCR-CQSZACIVSA-N 1 2 424.400 3.519 20 5 HHBDLO COc1cc(C[N@@H+](C)C[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491920953 1000100769 /nfs/dbraw/zinc/10/07/69/1000100769.db2.gz MFRSKRPDHFKRCR-CQSZACIVSA-N 1 2 424.400 3.519 20 5 HHBDLO COc1cc(C[NH2+]Cc2snnc2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000492287626 1000119831 /nfs/dbraw/zinc/11/98/31/1000119831.db2.gz ANXVTQHZVLJQIT-UHFFFAOYSA-N 1 2 400.460 3.632 20 5 HHBDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000493099444 1000157134 /nfs/dbraw/zinc/15/71/34/1000157134.db2.gz XDFNTKJSTFVRQR-UHFFFAOYSA-N 1 2 414.487 3.984 20 5 HHBDLO O=C(c1cccnc1)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000505274789 1000663204 /nfs/dbraw/zinc/66/32/04/1000663204.db2.gz VQJPMKBKRWMQES-UHFFFAOYSA-N 1 2 408.483 3.676 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1ccc(F)c(F)c1 ZINC000497485829 1001394015 /nfs/dbraw/zinc/39/40/15/1001394015.db2.gz KZNWBAHQZUYAMG-VQIMIIECSA-N 1 2 401.369 3.794 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1ccc(F)c(F)c1 ZINC000497485829 1001394021 /nfs/dbraw/zinc/39/40/21/1001394021.db2.gz KZNWBAHQZUYAMG-VQIMIIECSA-N 1 2 401.369 3.794 20 5 HHBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC2)s1 ZINC000498133623 1001656087 /nfs/dbraw/zinc/65/60/87/1001656087.db2.gz CARVKPPEZSBHTH-UHFFFAOYSA-N 1 2 410.499 3.725 20 5 HHBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000507912590 1002446458 /nfs/dbraw/zinc/44/64/58/1002446458.db2.gz HNSLXIMFZOSRCL-OAHLLOKOSA-N 1 2 411.437 3.663 20 5 HHBDLO CCCCc1[nH]c2ccc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])cc2[nH+]1 ZINC000499296163 1002705918 /nfs/dbraw/zinc/70/59/18/1002705918.db2.gz NKHPUZSAAVARKS-UHFFFAOYSA-N 1 2 402.476 3.798 20 5 HHBDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000508353215 1002854021 /nfs/dbraw/zinc/85/40/21/1002854021.db2.gz AVIBQBICRMSYEC-UHFFFAOYSA-N 1 2 413.455 3.702 20 5 HHBDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000508360444 1002860223 /nfs/dbraw/zinc/86/02/23/1002860223.db2.gz PZJNUTNOOGCVMC-UHFFFAOYSA-N 1 2 413.455 3.702 20 5 HHBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000499903615 1003235845 /nfs/dbraw/zinc/23/58/45/1003235845.db2.gz ZMMWKPLVMROBAK-UHFFFAOYSA-N 1 2 405.458 3.844 20 5 HHBDLO CS(=O)(=O)c1ccc(F)c(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000500406145 1003696948 /nfs/dbraw/zinc/69/69/48/1003696948.db2.gz SWUBZORIEFDUOM-UHFFFAOYSA-N 1 2 404.419 3.687 20 5 HHBDLO CS(=O)(=O)c1ccc(F)c(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000500406132 1003696957 /nfs/dbraw/zinc/69/69/57/1003696957.db2.gz STDAVKDCIVIYTC-UHFFFAOYSA-N 1 2 404.419 3.687 20 5 HHBDLO O=[N+]([O-])c1ccc2oc(-c3nc([C@H]4C[N@H+](Cc5ccccc5)CCO4)no3)cc2c1 ZINC000500808192 1003969491 /nfs/dbraw/zinc/96/94/91/1003969491.db2.gz SHMDINHWNNKRLW-LJQANCHMSA-N 1 2 406.398 3.965 20 5 HHBDLO O=[N+]([O-])c1ccc2oc(-c3nc([C@H]4C[N@@H+](Cc5ccccc5)CCO4)no3)cc2c1 ZINC000500808192 1003969498 /nfs/dbraw/zinc/96/94/98/1003969498.db2.gz SHMDINHWNNKRLW-LJQANCHMSA-N 1 2 406.398 3.965 20 5 HHBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000512695547 1004500263 /nfs/dbraw/zinc/50/02/63/1004500263.db2.gz MMWIAYCEUYWCJQ-IBGZPJMESA-N 1 2 417.469 3.611 20 5 HHBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510436283 1004565126 /nfs/dbraw/zinc/56/51/26/1004565126.db2.gz ZLEVYIWXIMYACK-BBRMVZONSA-N 1 2 413.865 3.872 20 5 HHBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510436283 1004565130 /nfs/dbraw/zinc/56/51/30/1004565130.db2.gz ZLEVYIWXIMYACK-BBRMVZONSA-N 1 2 413.865 3.872 20 5 HHBDLO COC(=O)C(C)(C)[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000513147541 1004831640 /nfs/dbraw/zinc/83/16/40/1004831640.db2.gz BLOGYYPGRRANTF-UHFFFAOYSA-N 1 2 408.458 3.831 20 5 HHBDLO COC(=O)C(C)(C)[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000513147541 1004831649 /nfs/dbraw/zinc/83/16/49/1004831649.db2.gz BLOGYYPGRRANTF-UHFFFAOYSA-N 1 2 408.458 3.831 20 5 HHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000502344328 1005023961 /nfs/dbraw/zinc/02/39/61/1005023961.db2.gz UFPMSLGSSQJTSJ-WMZOPIPTSA-N 1 2 415.515 3.513 20 5 HHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000502344328 1005023963 /nfs/dbraw/zinc/02/39/63/1005023963.db2.gz UFPMSLGSSQJTSJ-WMZOPIPTSA-N 1 2 415.515 3.513 20 5 HHBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513988349 1005215577 /nfs/dbraw/zinc/21/55/77/1005215577.db2.gz XHYVEEQJOCABHP-FZKQIMNGSA-N 1 2 405.907 3.902 20 5 HHBDLO C[C@@](CO)([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(Br)cc1 ZINC000511547230 1005219119 /nfs/dbraw/zinc/21/91/19/1005219119.db2.gz SSWQGQKGGHRYIO-INIZCTEOSA-N 1 2 401.207 3.633 20 5 HHBDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1OC ZINC000514128659 1005279387 /nfs/dbraw/zinc/27/93/87/1005279387.db2.gz MGDPZHFIKRMOHY-KRWDZBQOSA-N 1 2 410.430 3.999 20 5 HHBDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1OC ZINC000514128659 1005279393 /nfs/dbraw/zinc/27/93/93/1005279393.db2.gz MGDPZHFIKRMOHY-KRWDZBQOSA-N 1 2 410.430 3.999 20 5 HHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000534128020 1006103775 /nfs/dbraw/zinc/10/37/75/1006103775.db2.gz KOBFRXJPRCQVHP-CYBMUJFWSA-N 1 2 403.870 3.547 20 5 HHBDLO O=C(Nc1cc(Br)ccc1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000531310673 1006111794 /nfs/dbraw/zinc/11/17/94/1006111794.db2.gz UJCVQMJOHMGVHL-UHFFFAOYSA-N 1 2 405.183 3.934 20 5 HHBDLO Cn1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)c1 ZINC000532168668 1006691119 /nfs/dbraw/zinc/69/11/19/1006691119.db2.gz VZVOANKBXBJTEX-UHFFFAOYSA-N 1 2 410.499 3.620 20 5 HHBDLO COc1cc(C[NH2+]Cc2cn3cc(C)ccc3n2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000515887125 1006739288 /nfs/dbraw/zinc/73/92/88/1006739288.db2.gz FPTWVQRUGZSWDH-UHFFFAOYSA-N 1 2 424.379 3.790 20 5 HHBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534749095 1006741563 /nfs/dbraw/zinc/74/15/63/1006741563.db2.gz JYDZSGSXJUOKFC-UHFFFAOYSA-N 1 2 403.442 3.874 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535127706 1007162766 /nfs/dbraw/zinc/16/27/66/1007162766.db2.gz NENRTJNGFFZOLG-FUHWJXTLSA-N 1 2 407.829 3.571 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535127706 1007162775 /nfs/dbraw/zinc/16/27/75/1007162775.db2.gz NENRTJNGFFZOLG-FUHWJXTLSA-N 1 2 407.829 3.571 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000535130793 1007168132 /nfs/dbraw/zinc/16/81/32/1007168132.db2.gz OGZGWWVZDSQTBO-OXQOHEQNSA-N 1 2 421.856 3.718 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000535130793 1007168138 /nfs/dbraw/zinc/16/81/38/1007168138.db2.gz OGZGWWVZDSQTBO-OXQOHEQNSA-N 1 2 421.856 3.718 20 5 HHBDLO Cc1ccc(C(=O)C2CC[NH+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)cc1 ZINC000532925263 1007296795 /nfs/dbraw/zinc/29/67/95/1007296795.db2.gz RJOCGHSCIQLJIQ-OAQYLSRUSA-N 1 2 407.470 3.603 20 5 HHBDLO CC(C)OC1CC[NH+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000533016920 1007378221 /nfs/dbraw/zinc/37/82/21/1007378221.db2.gz VTUFRHIUNPYMRU-CQSZACIVSA-N 1 2 418.519 3.935 20 5 HHBDLO Cc1c(NC(=O)[C@@H](C)N2CC[NH+](C/C=C\c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000533284543 1007596737 /nfs/dbraw/zinc/59/67/37/1007596737.db2.gz QJQSSVSCRYTWAS-JNLAIUADSA-N 1 2 408.502 3.561 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C)cc2)CC1 ZINC000533297394 1007612985 /nfs/dbraw/zinc/61/29/85/1007612985.db2.gz KQRGVPWBWFEOKA-MRXNPFEDSA-N 1 2 413.474 3.782 20 5 HHBDLO COc1cccc(NC2CC[NH+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000533310718 1007626309 /nfs/dbraw/zinc/62/63/09/1007626309.db2.gz OLAFZSJACQYYTN-UHFFFAOYSA-N 1 2 418.881 3.772 20 5 HHBDLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533379832 1007691734 /nfs/dbraw/zinc/69/17/34/1007691734.db2.gz CKZVNUBORUAQGM-CHWSQXEVSA-N 1 2 423.395 3.522 20 5 HHBDLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533379832 1007691739 /nfs/dbraw/zinc/69/17/39/1007691739.db2.gz CKZVNUBORUAQGM-CHWSQXEVSA-N 1 2 423.395 3.522 20 5 HHBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000533393860 1007705660 /nfs/dbraw/zinc/70/56/60/1007705660.db2.gz OKECKXQJPYKASO-UHFFFAOYSA-N 1 2 405.907 3.798 20 5 HHBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000533426781 1007735920 /nfs/dbraw/zinc/73/59/20/1007735920.db2.gz HFNVXVBRKBLIJA-NVXWUHKLSA-N 1 2 413.449 3.964 20 5 HHBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000533426781 1007735929 /nfs/dbraw/zinc/73/59/29/1007735929.db2.gz HFNVXVBRKBLIJA-NVXWUHKLSA-N 1 2 413.449 3.964 20 5 HHBDLO COc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000533682562 1008005128 /nfs/dbraw/zinc/00/51/28/1008005128.db2.gz IDCPSFODUPHXSS-QAPCUYQASA-N 1 2 407.829 3.571 20 5 HHBDLO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000533682562 1008005139 /nfs/dbraw/zinc/00/51/39/1008005139.db2.gz IDCPSFODUPHXSS-QAPCUYQASA-N 1 2 407.829 3.571 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533682483 1008005547 /nfs/dbraw/zinc/00/55/47/1008005547.db2.gz SWXIFNGRSRGVPD-ICSRJNTNSA-N 1 2 405.857 3.882 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533682483 1008005556 /nfs/dbraw/zinc/00/55/56/1008005556.db2.gz SWXIFNGRSRGVPD-ICSRJNTNSA-N 1 2 405.857 3.882 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540226698 1008344083 /nfs/dbraw/zinc/34/40/83/1008344083.db2.gz ZKFCHYCKZYYLEO-AZUAARDMSA-N 1 2 405.857 3.882 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540226698 1008344086 /nfs/dbraw/zinc/34/40/86/1008344086.db2.gz ZKFCHYCKZYYLEO-AZUAARDMSA-N 1 2 405.857 3.882 20 5 HHBDLO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)C2CC2)cc1 ZINC000540354563 1008396204 /nfs/dbraw/zinc/39/62/04/1008396204.db2.gz PGQQVHGHEZWILA-ZDUSSCGKSA-N 1 2 407.430 3.844 20 5 HHBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000540437649 1008434317 /nfs/dbraw/zinc/43/43/17/1008434317.db2.gz RSTWDGXYLQVNMS-UHFFFAOYSA-N 1 2 405.545 3.945 20 5 HHBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000540437649 1008434321 /nfs/dbraw/zinc/43/43/21/1008434321.db2.gz RSTWDGXYLQVNMS-UHFFFAOYSA-N 1 2 405.545 3.945 20 5 HHBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000543118806 1008690948 /nfs/dbraw/zinc/69/09/48/1008690948.db2.gz YUUIWQBVSUKEPT-UHFFFAOYSA-N 1 2 414.531 3.847 20 5 HHBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000543208011 1008778885 /nfs/dbraw/zinc/77/88/85/1008778885.db2.gz IPTYOSBINDEKKJ-MJGOQNOKSA-N 1 2 424.457 3.612 20 5 HHBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000543208011 1008778897 /nfs/dbraw/zinc/77/88/97/1008778897.db2.gz IPTYOSBINDEKKJ-MJGOQNOKSA-N 1 2 424.457 3.612 20 5 HHBDLO COc1cc(OCC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)ccc1[N+](=O)[O-] ZINC000519977205 1009122397 /nfs/dbraw/zinc/12/23/97/1009122397.db2.gz QUBXTGXHAHPHQQ-UHFFFAOYSA-N 1 2 422.441 3.821 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000543544272 1009139339 /nfs/dbraw/zinc/13/93/39/1009139339.db2.gz JZAPWIBVVZWSLJ-HNNXBMFYSA-N 1 2 409.446 3.556 20 5 HHBDLO CO[C@H](C)CCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000543863741 1009430987 /nfs/dbraw/zinc/43/09/87/1009430987.db2.gz XMPBGKJFBUGCBK-MRXNPFEDSA-N 1 2 417.531 3.783 20 5 HHBDLO CN1CC[N@H+](C)C[C@H]1c1noc(/C=C\c2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000546497194 1009517426 /nfs/dbraw/zinc/51/74/26/1009517426.db2.gz IZDNPJQPRBFKPI-PXAMLJHWSA-N 1 2 411.487 3.795 20 5 HHBDLO CN1CC[N@@H+](C)C[C@H]1c1noc(/C=C\c2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000546497194 1009517436 /nfs/dbraw/zinc/51/74/36/1009517436.db2.gz IZDNPJQPRBFKPI-PXAMLJHWSA-N 1 2 411.487 3.795 20 5 HHBDLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000544421244 1010040232 /nfs/dbraw/zinc/04/02/32/1010040232.db2.gz JMHDTDGOOCEQOI-SNVBAGLBSA-N 1 2 424.383 3.871 20 5 HHBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000550649773 1010082726 /nfs/dbraw/zinc/08/27/26/1010082726.db2.gz YJJCCIPJLNTMSJ-UHFFFAOYSA-N 1 2 418.291 3.624 20 5 HHBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000544490006 1010114180 /nfs/dbraw/zinc/11/41/80/1010114180.db2.gz ZVEJXAWUQYVWMW-CVEARBPZSA-N 1 2 421.563 3.716 20 5 HHBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000544493456 1010117332 /nfs/dbraw/zinc/11/73/32/1010117332.db2.gz VJFPUUAHUINRIO-HZPDHXFCSA-N 1 2 415.465 3.751 20 5 HHBDLO Cn1c2ccc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])cc2[nH+]c1C(C)(C)C ZINC000544740382 1010345807 /nfs/dbraw/zinc/34/58/07/1010345807.db2.gz BOKRRULHUBHYRW-UHFFFAOYSA-N 1 2 402.476 3.721 20 5 HHBDLO Cc1ccc(-c2noc(-c3cccc(NC(=O)CCn4cc[nH+]c4)c3)n2)cc1[N+](=O)[O-] ZINC000544955656 1010518091 /nfs/dbraw/zinc/51/80/91/1010518091.db2.gz ZKWMHFJQLORUOR-UHFFFAOYSA-N 1 2 418.413 3.846 20 5 HHBDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000536129781 1011252667 /nfs/dbraw/zinc/25/26/67/1011252667.db2.gz DMTLHTKXTSNRIP-UHFFFAOYSA-N 1 2 418.453 3.741 20 5 HHBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[N@H+](Cc3cn4cc(Cl)ccc4n3)CC2)n1 ZINC000541004429 1011638541 /nfs/dbraw/zinc/63/85/41/1011638541.db2.gz ARIYQEXTYOVTHA-UHFFFAOYSA-N 1 2 414.897 3.620 20 5 HHBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[N@@H+](Cc3cn4cc(Cl)ccc4n3)CC2)n1 ZINC000541004429 1011638545 /nfs/dbraw/zinc/63/85/45/1011638545.db2.gz ARIYQEXTYOVTHA-UHFFFAOYSA-N 1 2 414.897 3.620 20 5 HHBDLO CNC(=O)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1cccc(C(F)(F)F)c1 ZINC000536682345 1011846377 /nfs/dbraw/zinc/84/63/77/1011846377.db2.gz IODKCVJFIBUSFW-VMPITWQZSA-N 1 2 407.392 3.875 20 5 HHBDLO CNC(=O)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1cccc(C(F)(F)F)c1 ZINC000536682345 1011846394 /nfs/dbraw/zinc/84/63/94/1011846394.db2.gz IODKCVJFIBUSFW-VMPITWQZSA-N 1 2 407.392 3.875 20 5 HHBDLO CCc1ccc(C[NH+]2CCN(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000523383655 1011860645 /nfs/dbraw/zinc/86/06/45/1011860645.db2.gz SKHICMKWKHLVKK-OAHLLOKOSA-N 1 2 402.520 3.807 20 5 HHBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)cccc1[N+](=O)[O-] ZINC000536712983 1011885889 /nfs/dbraw/zinc/88/58/89/1011885889.db2.gz AFLYMTIERKBLLT-INIZCTEOSA-N 1 2 423.469 3.791 20 5 HHBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)cccc1[N+](=O)[O-] ZINC000536712983 1011885903 /nfs/dbraw/zinc/88/59/03/1011885903.db2.gz AFLYMTIERKBLLT-INIZCTEOSA-N 1 2 423.469 3.791 20 5 HHBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541236981 1011914381 /nfs/dbraw/zinc/91/43/81/1011914381.db2.gz DGUFQDQOESAYPW-INIZCTEOSA-N 1 2 402.520 3.991 20 5 HHBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000552043253 1012063209 /nfs/dbraw/zinc/06/32/09/1012063209.db2.gz DXJUBOPVYFFVBN-YLJYHZDGSA-N 1 2 411.893 3.940 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536912609 1012181975 /nfs/dbraw/zinc/18/19/75/1012181975.db2.gz XFOXWLUSUXQUDN-UYAOXDASSA-N 1 2 405.857 3.882 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536912609 1012181982 /nfs/dbraw/zinc/18/19/82/1012181982.db2.gz XFOXWLUSUXQUDN-UYAOXDASSA-N 1 2 405.857 3.882 20 5 HHBDLO Cn1ccnc1[C@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1cccc([N+](=O)[O-])c1 ZINC000552247405 1012258553 /nfs/dbraw/zinc/25/85/53/1012258553.db2.gz ODZNRLZMNFXSEJ-OAHLLOKOSA-N 1 2 411.409 3.725 20 5 HHBDLO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)ccc2NC1=O ZINC000537155138 1012550639 /nfs/dbraw/zinc/55/06/39/1012550639.db2.gz XBCLMSLQANANMH-PXAZEXFGSA-N 1 2 423.429 3.605 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCCN(CC(F)F)CC2)cc1OC ZINC000541986720 1012863038 /nfs/dbraw/zinc/86/30/38/1012863038.db2.gz YGNMSDJWHDNGTO-HNNXBMFYSA-N 1 2 415.481 3.801 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCN(CC(F)F)CC2)cc1OC ZINC000541986720 1012863055 /nfs/dbraw/zinc/86/30/55/1012863055.db2.gz YGNMSDJWHDNGTO-HNNXBMFYSA-N 1 2 415.481 3.801 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Br)o3)no2)cc1-n1cc[nH+]c1 ZINC000904630984 1071832987 /nfs/dbraw/zinc/83/29/87/1071832987.db2.gz WGRICZWXGVEJCR-UHFFFAOYSA-N 1 2 402.164 3.853 20 5 HHBDLO CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001127024578 1072034026 /nfs/dbraw/zinc/03/40/26/1072034026.db2.gz HZQKYWDLHBGKDV-GOSISDBHSA-N 1 2 422.441 3.547 20 5 HHBDLO C[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)c1cn(-c2ccccc2)nn1 ZINC000760712274 1073293121 /nfs/dbraw/zinc/29/31/21/1073293121.db2.gz FMFDBHPDUXWSAD-GFCCVEGCSA-N 1 2 402.252 3.789 20 5 HHBDLO Cc1cc(C)n(-c2ccccc2CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC001127146572 1074764438 /nfs/dbraw/zinc/76/44/38/1074764438.db2.gz DWTUWYYKGFFBHH-UHFFFAOYSA-N 1 2 416.441 3.513 20 5 HHBDLO COc1cc(F)c([N+](=O)[O-])c(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c1 ZINC000301977484 971139875 /nfs/dbraw/zinc/13/98/75/971139875.db2.gz NECKAKDGYGCZAO-MSOLQXFVSA-N 1 2 409.845 3.880 20 5 HHBDLO COc1cc(F)c([N+](=O)[O-])c(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000301977484 971139879 /nfs/dbraw/zinc/13/98/79/971139879.db2.gz NECKAKDGYGCZAO-MSOLQXFVSA-N 1 2 409.845 3.880 20 5 HHBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c1 ZINC000302187739 971202142 /nfs/dbraw/zinc/20/21/42/971202142.db2.gz QAWIJTSQGKCQPH-RTBURBONSA-N 1 2 419.865 3.519 20 5 HHBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000302187739 971202146 /nfs/dbraw/zinc/20/21/46/971202146.db2.gz QAWIJTSQGKCQPH-RTBURBONSA-N 1 2 419.865 3.519 20 5 HHBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303529246 971830157 /nfs/dbraw/zinc/83/01/57/971830157.db2.gz RJEXDSHEZULKOY-QGZVFWFLSA-N 1 2 405.857 3.711 20 5 HHBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303529246 971830161 /nfs/dbraw/zinc/83/01/61/971830161.db2.gz RJEXDSHEZULKOY-QGZVFWFLSA-N 1 2 405.857 3.711 20 5 HHBDLO CC(=O)N1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)[C@@H](C)C1 ZINC000537626301 1013175892 /nfs/dbraw/zinc/17/58/92/1013175892.db2.gz NAJPTWXCRQERKM-LBPRGKRZSA-N 1 2 422.279 3.670 20 5 HHBDLO CC(=O)N1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)[C@@H](C)C1 ZINC000537626301 1013175908 /nfs/dbraw/zinc/17/59/08/1013175908.db2.gz NAJPTWXCRQERKM-LBPRGKRZSA-N 1 2 422.279 3.670 20 5 HHBDLO CCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1C[C@H](OCC)C1(C)C ZINC000303944927 972526588 /nfs/dbraw/zinc/52/65/88/972526588.db2.gz ZCXZURZDJPTBAA-OALUTQOASA-N 1 2 400.479 3.836 20 5 HHBDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000553294365 1013251742 /nfs/dbraw/zinc/25/17/42/1013251742.db2.gz NWWDRLAKVMWIOU-UHFFFAOYSA-N 1 2 406.427 3.610 20 5 HHBDLO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000017307860 963183429 /nfs/dbraw/zinc/18/34/29/963183429.db2.gz LEKSHCDRBRNUMC-CQSZACIVSA-N 1 2 409.895 3.929 20 5 HHBDLO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000017307860 963183437 /nfs/dbraw/zinc/18/34/37/963183437.db2.gz LEKSHCDRBRNUMC-CQSZACIVSA-N 1 2 409.895 3.929 20 5 HHBDLO C[N@@H+]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](c2ccccc2)C1 ZINC000050293661 964303773 /nfs/dbraw/zinc/30/37/73/964303773.db2.gz JIAKEQCTGLMOCW-IBGZPJMESA-N 1 2 408.483 3.847 20 5 HHBDLO C[N@H+]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](c2ccccc2)C1 ZINC000050293661 964303780 /nfs/dbraw/zinc/30/37/80/964303780.db2.gz JIAKEQCTGLMOCW-IBGZPJMESA-N 1 2 408.483 3.847 20 5 HHBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051380222 964552477 /nfs/dbraw/zinc/55/24/77/964552477.db2.gz WWFDMSQSDCWSSP-UHFFFAOYSA-N 1 2 405.439 3.834 20 5 HHBDLO CCOc1cc(C[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC(F)F ZINC000026454279 964570228 /nfs/dbraw/zinc/57/02/28/964570228.db2.gz HESZPBOMGARYBY-UHFFFAOYSA-N 1 2 423.416 3.974 20 5 HHBDLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC(F)F ZINC000026454279 964570249 /nfs/dbraw/zinc/57/02/49/964570249.db2.gz HESZPBOMGARYBY-UHFFFAOYSA-N 1 2 423.416 3.974 20 5 HHBDLO CC(C)COC1CC[NH+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000054325937 965477939 /nfs/dbraw/zinc/47/79/39/965477939.db2.gz JILJXELMFYIUDF-UHFFFAOYSA-N 1 2 418.519 3.794 20 5 HHBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCCc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000054382887 965494822 /nfs/dbraw/zinc/49/48/22/965494822.db2.gz JAHHARJFEGFHNM-CQSZACIVSA-N 1 2 403.508 3.647 20 5 HHBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000054382887 965494830 /nfs/dbraw/zinc/49/48/30/965494830.db2.gz JAHHARJFEGFHNM-CQSZACIVSA-N 1 2 403.508 3.647 20 5 HHBDLO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000030912455 965831046 /nfs/dbraw/zinc/83/10/46/965831046.db2.gz QCHHORCMQQSVSU-IBGZPJMESA-N 1 2 410.518 3.543 20 5 HHBDLO COc1ccc(CSCC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1[N+](=O)[O-] ZINC000058958756 965974196 /nfs/dbraw/zinc/97/41/96/965974196.db2.gz RBGGJJIDICGJKV-UHFFFAOYSA-N 1 2 419.503 3.516 20 5 HHBDLO CNc1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000031896993 966149138 /nfs/dbraw/zinc/14/91/38/966149138.db2.gz XSTLVBRPQCVVEJ-SFHVURJKSA-N 1 2 420.872 3.996 20 5 HHBDLO O=C(Nc1ccccc1OCC(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032157669 966197419 /nfs/dbraw/zinc/19/74/19/966197419.db2.gz ZUNCOQYYAFOXIX-UHFFFAOYSA-N 1 2 406.320 3.974 20 5 HHBDLO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[NH+]1CCN(c2ccccc2)CC1 ZINC000032723956 966317783 /nfs/dbraw/zinc/31/77/83/966317783.db2.gz MSZUZTBKEXXUEJ-INIZCTEOSA-N 1 2 424.526 3.750 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)c1C ZINC000538132759 1013694918 /nfs/dbraw/zinc/69/49/18/1013694918.db2.gz TUJUSYXSJZPUEL-UHFFFAOYSA-N 1 2 403.504 3.649 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)c1C ZINC000538132759 1013694924 /nfs/dbraw/zinc/69/49/24/1013694924.db2.gz TUJUSYXSJZPUEL-UHFFFAOYSA-N 1 2 403.504 3.649 20 5 HHBDLO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000064481585 967208694 /nfs/dbraw/zinc/20/86/94/967208694.db2.gz FLNISRFIUOXJCG-UHFFFAOYSA-N 1 2 403.866 3.605 20 5 HHBDLO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000064481585 967208698 /nfs/dbraw/zinc/20/86/98/967208698.db2.gz FLNISRFIUOXJCG-UHFFFAOYSA-N 1 2 403.866 3.605 20 5 HHBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065095333 967375341 /nfs/dbraw/zinc/37/53/41/967375341.db2.gz MEOGNYWCAIKBNM-UHFFFAOYSA-N 1 2 419.466 3.893 20 5 HHBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047865536 968347313 /nfs/dbraw/zinc/34/73/13/968347313.db2.gz KVCIFVJVMPUOIH-UHFFFAOYSA-N 1 2 417.372 3.763 20 5 HHBDLO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000078882494 969021692 /nfs/dbraw/zinc/02/16/92/969021692.db2.gz NXESAMIYSLHEOB-GFCCVEGCSA-N 1 2 407.820 3.958 20 5 HHBDLO O=C(C[NH+]1CCC(Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC1)Nc1ccccc1 ZINC000097473866 969141995 /nfs/dbraw/zinc/14/19/95/969141995.db2.gz GXHPTNXYWIXYMM-UHFFFAOYSA-N 1 2 405.458 3.658 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)o2)cc1 ZINC000098069565 969189910 /nfs/dbraw/zinc/18/99/10/969189910.db2.gz CGQSJEBLZKTHGV-QGZVFWFLSA-N 1 2 408.414 3.753 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)o2)cc1 ZINC000098069565 969189914 /nfs/dbraw/zinc/18/99/14/969189914.db2.gz CGQSJEBLZKTHGV-QGZVFWFLSA-N 1 2 408.414 3.753 20 5 HHBDLO CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000108339221 969374976 /nfs/dbraw/zinc/37/49/76/969374976.db2.gz HKBYXWVBSCMRDV-UHFFFAOYSA-N 1 2 421.457 3.951 20 5 HHBDLO O=C(CN1CC[NH+](C/C=C\c2ccccc2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000212733610 970035968 /nfs/dbraw/zinc/03/59/68/970035968.db2.gz WECKTODDQZSUDP-DAXSKMNVSA-N 1 2 414.893 3.518 20 5 HHBDLO COc1cc(OC)cc([C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c2nccn2C)c1 ZINC000237370453 970272208 /nfs/dbraw/zinc/27/22/08/970272208.db2.gz CPDYJSPVFBXMGY-PVHVJQTOSA-N 1 2 408.458 3.738 20 5 HHBDLO C[C@@H](Nc1ccc(C(=O)NCCCCn2cc[nH+]c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000145894857 970274736 /nfs/dbraw/zinc/27/47/36/970274736.db2.gz DPZOZYGMPXHGIN-MRXNPFEDSA-N 1 2 408.462 3.570 20 5 HHBDLO O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000247346175 970471359 /nfs/dbraw/zinc/47/13/59/970471359.db2.gz UNWHVTSIWRAJCB-UHFFFAOYSA-N 1 2 414.805 3.848 20 5 HHBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000409788104 973265520 /nfs/dbraw/zinc/26/55/20/973265520.db2.gz KSJVBSILWJNZLQ-UHFFFAOYSA-N 1 2 421.335 3.843 20 5 HHBDLO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000427687244 975238487 /nfs/dbraw/zinc/23/84/87/975238487.db2.gz HXOVAIUEJAFMJU-QAPCUYQASA-N 1 2 423.876 3.558 20 5 HHBDLO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000427687244 975238494 /nfs/dbraw/zinc/23/84/94/975238494.db2.gz HXOVAIUEJAFMJU-QAPCUYQASA-N 1 2 423.876 3.558 20 5 HHBDLO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000427687245 975238624 /nfs/dbraw/zinc/23/86/24/975238624.db2.gz HXOVAIUEJAFMJU-YJBOKZPZSA-N 1 2 423.876 3.558 20 5 HHBDLO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000427687245 975238629 /nfs/dbraw/zinc/23/86/29/975238629.db2.gz HXOVAIUEJAFMJU-YJBOKZPZSA-N 1 2 423.876 3.558 20 5 HHBDLO C[C@@]12CC[N@H+](Cc3cc(I)cc([N+](=O)[O-])c3)C[C@@H]1C2(F)F ZINC000428713999 976003726 /nfs/dbraw/zinc/00/37/26/976003726.db2.gz XQCOEEYNXFGREO-QWHCGFSZSA-N 1 2 408.186 3.677 20 5 HHBDLO C[C@@]12CC[N@@H+](Cc3cc(I)cc([N+](=O)[O-])c3)C[C@@H]1C2(F)F ZINC000428713999 976003739 /nfs/dbraw/zinc/00/37/39/976003739.db2.gz XQCOEEYNXFGREO-QWHCGFSZSA-N 1 2 408.186 3.677 20 5 HHBDLO O=C1[C@@H]([NH+]2CCC(c3ncccc3Cl)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000429214336 976508636 /nfs/dbraw/zinc/50/86/36/976508636.db2.gz XJDUCBLLRIOZPO-SFHVURJKSA-N 1 2 400.866 3.628 20 5 HHBDLO CCOc1cc(N2CC[NH+]([C@H](C)c3cc(C(=O)OC)c(C)o3)CC2)ccc1[N+](=O)[O-] ZINC000433214448 979147839 /nfs/dbraw/zinc/14/78/39/979147839.db2.gz SVUNQFKWLFNWEX-CQSZACIVSA-N 1 2 417.462 3.565 20 5 HHBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CCSC(C)(C)C1 ZINC000434894979 980475768 /nfs/dbraw/zinc/47/57/68/980475768.db2.gz JVTPKFNKHSOBAH-GFCCVEGCSA-N 1 2 406.533 3.873 20 5 HHBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CCSC(C)(C)C1 ZINC000434894979 980475774 /nfs/dbraw/zinc/47/57/74/980475774.db2.gz JVTPKFNKHSOBAH-GFCCVEGCSA-N 1 2 406.533 3.873 20 5 HHBDLO Cc1c(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435325972 980784602 /nfs/dbraw/zinc/78/46/02/980784602.db2.gz BKSZFWIBDBFHBB-ZBEGNZNMSA-N 1 2 422.283 3.977 20 5 HHBDLO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435826220 981047933 /nfs/dbraw/zinc/04/79/33/981047933.db2.gz NBGIXYJHGKQBJG-OAQYLSRUSA-N 1 2 401.466 3.841 20 5 HHBDLO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000435934179 981100651 /nfs/dbraw/zinc/10/06/51/981100651.db2.gz GUBVSJVZMXMNIJ-UHFFFAOYSA-N 1 2 411.505 3.682 20 5 HHBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435936482 981102255 /nfs/dbraw/zinc/10/22/55/981102255.db2.gz MBEYVPJUCFCXQC-UHFFFAOYSA-N 1 2 422.488 3.899 20 5 HHBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000437002527 981679058 /nfs/dbraw/zinc/67/90/58/981679058.db2.gz YNZSANBTPOQVJF-GOSISDBHSA-N 1 2 421.457 3.505 20 5 HHBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000437002527 981679061 /nfs/dbraw/zinc/67/90/61/981679061.db2.gz YNZSANBTPOQVJF-GOSISDBHSA-N 1 2 421.457 3.505 20 5 HHBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000437026484 981698853 /nfs/dbraw/zinc/69/88/53/981698853.db2.gz HFDGVZXUAGHEPR-UHFFFAOYSA-N 1 2 412.490 3.524 20 5 HHBDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437150520 981799425 /nfs/dbraw/zinc/79/94/25/981799425.db2.gz WSUJUMYKLOMUGN-UHFFFAOYSA-N 1 2 409.364 3.698 20 5 HHBDLO Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000460380649 982159254 /nfs/dbraw/zinc/15/92/54/982159254.db2.gz ABAGSIMHJLBMFD-KKSFZXQISA-N 1 2 406.442 3.691 20 5 HHBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000437589438 982214391 /nfs/dbraw/zinc/21/43/91/982214391.db2.gz KKFGCCJRKRXXQS-UHFFFAOYSA-N 1 2 403.504 3.663 20 5 HHBDLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440499833 983777215 /nfs/dbraw/zinc/77/72/15/983777215.db2.gz ASSQGSLKSAVLBP-WCQYABFASA-N 1 2 424.288 3.810 20 5 HHBDLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440499833 983777218 /nfs/dbraw/zinc/77/72/18/983777218.db2.gz ASSQGSLKSAVLBP-WCQYABFASA-N 1 2 424.288 3.810 20 5 HHBDLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440499831 983777240 /nfs/dbraw/zinc/77/72/40/983777240.db2.gz ASSQGSLKSAVLBP-AAEUAGOBSA-N 1 2 424.288 3.810 20 5 HHBDLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440499831 983777243 /nfs/dbraw/zinc/77/72/43/983777243.db2.gz ASSQGSLKSAVLBP-AAEUAGOBSA-N 1 2 424.288 3.810 20 5 HHBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000440811569 983917124 /nfs/dbraw/zinc/91/71/24/983917124.db2.gz YLDUZKROGYUZOG-NRFANRHFSA-N 1 2 407.474 3.691 20 5 HHBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(O)c3)CC2)nc1OCc1ccccc1 ZINC000462483010 985438868 /nfs/dbraw/zinc/43/88/68/985438868.db2.gz JPKXVZDWHSPMAI-UHFFFAOYSA-N 1 2 420.469 3.597 20 5 HHBDLO Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cc2)c1C ZINC000462768357 985704767 /nfs/dbraw/zinc/70/47/67/985704767.db2.gz VFNICCJRAAUJEM-UHFFFAOYSA-N 1 2 402.414 3.835 20 5 HHBDLO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)cc1F ZINC000462918581 985852072 /nfs/dbraw/zinc/85/20/72/985852072.db2.gz DKWCBZGDMYTUHK-UHFFFAOYSA-N 1 2 411.380 3.666 20 5 HHBDLO O=C(NCc1nc(-c2ccccc2F)cs1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000468214997 985909286 /nfs/dbraw/zinc/90/92/86/985909286.db2.gz IDQDYTKMDDPZHM-UHFFFAOYSA-N 1 2 423.429 3.973 20 5 HHBDLO O=C(C[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000443839543 986039460 /nfs/dbraw/zinc/03/94/60/986039460.db2.gz HZRAUPIADSGNIX-GOSISDBHSA-N 1 2 404.426 3.658 20 5 HHBDLO COc1cccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000443944572 986152036 /nfs/dbraw/zinc/15/20/36/986152036.db2.gz HCONNDAXROWPDF-INIZCTEOSA-N 1 2 421.856 3.963 20 5 HHBDLO O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000444230032 986418082 /nfs/dbraw/zinc/41/80/82/986418082.db2.gz XGSRRDWZIXTMED-MRXNPFEDSA-N 1 2 421.403 3.648 20 5 HHBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000444240264 986431730 /nfs/dbraw/zinc/43/17/30/986431730.db2.gz IOMGQZNLQWTAND-INIZCTEOSA-N 1 2 400.482 3.510 20 5 HHBDLO Nc1c(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000468734642 986448383 /nfs/dbraw/zinc/44/83/83/986448383.db2.gz MFUPNVUQPZJXFW-INIZCTEOSA-N 1 2 406.845 3.536 20 5 HHBDLO COc1cc(NC2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cc(OC)c1 ZINC000444666735 986850493 /nfs/dbraw/zinc/85/04/93/986850493.db2.gz RUTWWBOSNUZHDT-UHFFFAOYSA-N 1 2 411.462 3.565 20 5 HHBDLO C[C@@H](CNC(=O)c1sc(Br)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000444855429 987012188 /nfs/dbraw/zinc/01/21/88/987012188.db2.gz HXRVZPQGBLNMMJ-NSHDSACASA-N 1 2 424.320 3.595 20 5 HHBDLO C[C@@H](CNC(=O)c1sc(Br)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000444855429 987012194 /nfs/dbraw/zinc/01/21/94/987012194.db2.gz HXRVZPQGBLNMMJ-NSHDSACASA-N 1 2 424.320 3.595 20 5 HHBDLO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc2[N+](=O)[O-])C1 ZINC000469386954 987086235 /nfs/dbraw/zinc/08/62/35/987086235.db2.gz VCOPDIHZNGQXML-WWMYMODYSA-N 1 2 411.506 3.751 20 5 HHBDLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)CC2 ZINC000470137265 988043015 /nfs/dbraw/zinc/04/30/15/988043015.db2.gz JTXPGVDUAAWXRC-MRXNPFEDSA-N 1 2 419.482 3.709 20 5 HHBDLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)CC2 ZINC000470137265 988043023 /nfs/dbraw/zinc/04/30/23/988043023.db2.gz JTXPGVDUAAWXRC-MRXNPFEDSA-N 1 2 419.482 3.709 20 5 HHBDLO CCO[C@H](C)c1nc(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cs1 ZINC000463979682 988091660 /nfs/dbraw/zinc/09/16/60/988091660.db2.gz IFYHUWBIULBGRO-CYBMUJFWSA-N 1 2 415.475 3.607 20 5 HHBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000470177560 988093200 /nfs/dbraw/zinc/09/32/00/988093200.db2.gz DDZBCCKQGFCBQH-QGOAFFKASA-N 1 2 418.497 3.866 20 5 HHBDLO CCOc1ccccc1C(=O)N1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470179666 988095446 /nfs/dbraw/zinc/09/54/46/988095446.db2.gz ASUOWACTJSHFRM-OBGWFSINSA-N 1 2 409.486 3.855 20 5 HHBDLO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000470639975 988653474 /nfs/dbraw/zinc/65/34/74/988653474.db2.gz WAQDGWYWJNIFDU-NHCUHLMSSA-N 1 2 405.458 3.562 20 5 HHBDLO COc1cc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c([N+](=O)[O-])cc1F ZINC000464489278 988660102 /nfs/dbraw/zinc/66/01/02/988660102.db2.gz UXYIBELEUOHNAY-LBPRGKRZSA-N 1 2 402.348 3.795 20 5 HHBDLO COc1cc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c([N+](=O)[O-])cc1F ZINC000464489278 988660109 /nfs/dbraw/zinc/66/01/09/988660109.db2.gz UXYIBELEUOHNAY-LBPRGKRZSA-N 1 2 402.348 3.795 20 5 HHBDLO C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)Oc1ccc(Cl)cc1 ZINC000464625103 988799054 /nfs/dbraw/zinc/79/90/54/988799054.db2.gz AVXQRVUUXAPLKP-CYBMUJFWSA-N 1 2 400.822 3.631 20 5 HHBDLO COc1cc(C[N@H+](C)[C@H](CO)c2cccc(Br)c2)c([N+](=O)[O-])cc1F ZINC000464687516 988894361 /nfs/dbraw/zinc/89/43/61/988894361.db2.gz FJJIQORHBDMLPS-MRXNPFEDSA-N 1 2 413.243 3.670 20 5 HHBDLO COc1cc(C[N@@H+](C)[C@H](CO)c2cccc(Br)c2)c([N+](=O)[O-])cc1F ZINC000464687516 988894381 /nfs/dbraw/zinc/89/43/81/988894381.db2.gz FJJIQORHBDMLPS-MRXNPFEDSA-N 1 2 413.243 3.670 20 5 HHBDLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1F ZINC000464776694 989002547 /nfs/dbraw/zinc/00/25/47/989002547.db2.gz NQWCQLUKISNTLB-OAHLLOKOSA-N 1 2 401.438 3.913 20 5 HHBDLO CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464779766 989006699 /nfs/dbraw/zinc/00/66/99/989006699.db2.gz PRVCSVBAYWFZEV-UHFFFAOYSA-N 1 2 423.922 3.812 20 5 HHBDLO CCOc1ccc(C(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000464986765 989291933 /nfs/dbraw/zinc/29/19/33/989291933.db2.gz QPGVYMPLKARHQY-UHFFFAOYSA-N 1 2 412.490 3.767 20 5 HHBDLO COc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000471945170 990109646 /nfs/dbraw/zinc/10/96/46/990109646.db2.gz VIBZZWISYODFMC-CRAIPNDOSA-N 1 2 422.844 3.963 20 5 HHBDLO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000471945170 990109650 /nfs/dbraw/zinc/10/96/50/990109650.db2.gz VIBZZWISYODFMC-CRAIPNDOSA-N 1 2 422.844 3.963 20 5 HHBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000467233274 992555441 /nfs/dbraw/zinc/55/54/41/992555441.db2.gz REEIXLMPSCLGNQ-CYBMUJFWSA-N 1 2 408.911 3.898 20 5 HHBDLO O=C(C[C@H]1COCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000473041290 993960044 /nfs/dbraw/zinc/96/00/44/993960044.db2.gz KUKQAOWUGRSHNM-FQEVSTJZSA-N 1 2 421.453 3.766 20 5 HHBDLO O=C(C[C@H]1COCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000473041290 993960054 /nfs/dbraw/zinc/96/00/54/993960054.db2.gz KUKQAOWUGRSHNM-FQEVSTJZSA-N 1 2 421.453 3.766 20 5 HHBDLO CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000481463737 994298370 /nfs/dbraw/zinc/29/83/70/994298370.db2.gz ZENXLGSCJSXZQO-INIZCTEOSA-N 1 2 411.428 3.838 20 5 HHBDLO CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000481463737 994298377 /nfs/dbraw/zinc/29/83/77/994298377.db2.gz ZENXLGSCJSXZQO-INIZCTEOSA-N 1 2 411.428 3.838 20 5 HHBDLO COC(=O)COc1ccc(CNc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000473989200 994977037 /nfs/dbraw/zinc/97/70/37/994977037.db2.gz YUMATTAQFHXMHU-UHFFFAOYSA-N 1 2 416.821 3.598 20 5 HHBDLO COc1c(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000474792662 995713093 /nfs/dbraw/zinc/71/30/93/995713093.db2.gz MKVOAJNZDGBDEB-QGZVFWFLSA-N 1 2 421.856 3.963 20 5 HHBDLO O=C1c2ccccc2C(=O)N1CCC1=CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000482905996 995835386 /nfs/dbraw/zinc/83/53/86/995835386.db2.gz YLRUTWYGHZXUKR-UHFFFAOYSA-N 1 2 409.417 3.552 20 5 HHBDLO O=C1c2ccccc2C(=O)N1CCC1=CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000482905996 995835393 /nfs/dbraw/zinc/83/53/93/995835393.db2.gz YLRUTWYGHZXUKR-UHFFFAOYSA-N 1 2 409.417 3.552 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](CC)O[C@@]3(CCOC3)C2)cc1OC ZINC000483148718 996003558 /nfs/dbraw/zinc/00/35/58/996003558.db2.gz UGTNGQHNZCNNSV-CECAUBDESA-N 1 2 422.522 3.798 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@@H](CC)O[C@@]3(CCOC3)C2)cc1OC ZINC000483148718 996003561 /nfs/dbraw/zinc/00/35/61/996003561.db2.gz UGTNGQHNZCNNSV-CECAUBDESA-N 1 2 422.522 3.798 20 5 HHBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)CCO2 ZINC000475292228 996049966 /nfs/dbraw/zinc/04/99/66/996049966.db2.gz SBEFONHPHWDEDO-QVKFZJNVSA-N 1 2 402.422 3.906 20 5 HHBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)CCO2 ZINC000475292228 996049970 /nfs/dbraw/zinc/04/99/70/996049970.db2.gz SBEFONHPHWDEDO-QVKFZJNVSA-N 1 2 402.422 3.906 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000484346890 996719014 /nfs/dbraw/zinc/71/90/14/996719014.db2.gz ZQEAVGRWWWUQRE-NHYWBVRUSA-N 1 2 403.401 3.841 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000484346890 996719015 /nfs/dbraw/zinc/71/90/15/996719015.db2.gz ZQEAVGRWWWUQRE-NHYWBVRUSA-N 1 2 403.401 3.841 20 5 HHBDLO COc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000476463665 996938444 /nfs/dbraw/zinc/93/84/44/996938444.db2.gz SJRLJULGDPBZNG-WBVHZDCISA-N 1 2 407.829 3.571 20 5 HHBDLO COc1c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000476463665 996938462 /nfs/dbraw/zinc/93/84/62/996938462.db2.gz SJRLJULGDPBZNG-WBVHZDCISA-N 1 2 407.829 3.571 20 5 HHBDLO Cc1ccc(NC(=O)c2ccc(NCC[N@@H+]3CCOCC3(C)C)c([N+](=O)[O-])c2)cc1 ZINC000476510142 996997775 /nfs/dbraw/zinc/99/77/75/996997775.db2.gz GLNNQXLVHSIHMZ-UHFFFAOYSA-N 1 2 412.490 3.678 20 5 HHBDLO Cc1ccc(NC(=O)c2ccc(NCC[N@H+]3CCOCC3(C)C)c([N+](=O)[O-])c2)cc1 ZINC000476510142 996997785 /nfs/dbraw/zinc/99/77/85/996997785.db2.gz GLNNQXLVHSIHMZ-UHFFFAOYSA-N 1 2 412.490 3.678 20 5 HHBDLO C[C@H](c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1)[NH+]1CCOCC1 ZINC000485632865 998078353 /nfs/dbraw/zinc/07/83/53/998078353.db2.gz SCXDHFQAJSPZBQ-CYBMUJFWSA-N 1 2 421.400 3.842 20 5 HHBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000485723623 998195208 /nfs/dbraw/zinc/19/52/08/998195208.db2.gz POZLMFPLKLOJJE-FUHWJXTLSA-N 1 2 407.442 3.770 20 5 HHBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000485723623 998195214 /nfs/dbraw/zinc/19/52/14/998195214.db2.gz POZLMFPLKLOJJE-FUHWJXTLSA-N 1 2 407.442 3.770 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000485803454 998272034 /nfs/dbraw/zinc/27/20/34/998272034.db2.gz XYHLDDRMWLRQSU-HNNXBMFYSA-N 1 2 413.503 3.894 20 5 HHBDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)cc1 ZINC000486453350 998776785 /nfs/dbraw/zinc/77/67/85/998776785.db2.gz FGFZYGAXDRAVGC-KRWDZBQOSA-N 1 2 407.417 3.990 20 5 HHBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)no1 ZINC000478371286 998922568 /nfs/dbraw/zinc/92/25/68/998922568.db2.gz DEFDQOWMMAQHRP-QGZVFWFLSA-N 1 2 415.494 3.536 20 5 HHBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)no1 ZINC000478371286 998922571 /nfs/dbraw/zinc/92/25/71/998922571.db2.gz DEFDQOWMMAQHRP-QGZVFWFLSA-N 1 2 415.494 3.536 20 5 HHBDLO CC1(C)C[N@H+](CCNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CCO1 ZINC000487353880 999144455 /nfs/dbraw/zinc/14/44/55/999144455.db2.gz JIDDSILQMXOCNA-UHFFFAOYSA-N 1 2 415.515 3.587 20 5 HHBDLO CC1(C)C[N@@H+](CCNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CCO1 ZINC000487353880 999144458 /nfs/dbraw/zinc/14/44/58/999144458.db2.gz JIDDSILQMXOCNA-UHFFFAOYSA-N 1 2 415.515 3.587 20 5 HHBDLO CC1(C)C[C@@H]([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c2cc([N+](=O)[O-])ccc21 ZINC000479482419 999437153 /nfs/dbraw/zinc/43/71/53/999437153.db2.gz STMNRCSHCOIOLD-IAGOWNOFSA-N 1 2 418.291 3.896 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCN(C2CC2)c2cc(F)ccc21 ZINC000479620212 999504400 /nfs/dbraw/zinc/50/44/00/999504400.db2.gz OFCGVTAQIDWYTQ-UHFFFAOYSA-N 1 2 407.405 3.549 20 5 HHBDLO COc1cccc(C2=CC[N@@H+]([C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)CC2)c1 ZINC000479883850 999635880 /nfs/dbraw/zinc/63/58/80/999635880.db2.gz IDYPDOVQLAROOL-HNNXBMFYSA-N 1 2 411.458 3.728 20 5 HHBDLO COc1cccc(C2=CC[N@H+]([C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)CC2)c1 ZINC000479883850 999635883 /nfs/dbraw/zinc/63/58/83/999635883.db2.gz IDYPDOVQLAROOL-HNNXBMFYSA-N 1 2 411.458 3.728 20 5 HHBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000489015246 999672457 /nfs/dbraw/zinc/67/24/57/999672457.db2.gz PQOXQDPSQVWBJT-XJKSGUPXSA-N 1 2 413.409 3.783 20 5 HHBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000489015246 999672459 /nfs/dbraw/zinc/67/24/59/999672459.db2.gz PQOXQDPSQVWBJT-XJKSGUPXSA-N 1 2 413.409 3.783 20 5 HHBDLO Cc1ccc(NC(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000480000974 999681542 /nfs/dbraw/zinc/68/15/42/999681542.db2.gz HHBLHFADGOKXJD-GOSISDBHSA-N 1 2 412.490 3.658 20 5 HHBDLO COc1ccc(CN(C(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C2CC2)cc1 ZINC000490021425 999879178 /nfs/dbraw/zinc/87/91/78/999879178.db2.gz CFOKQOGZXDOCPF-UHFFFAOYSA-N 1 2 409.486 3.759 20 5 HHBDLO COc1ccc(CN(C(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C2CC2)cc1 ZINC000490021425 999879181 /nfs/dbraw/zinc/87/91/81/999879181.db2.gz CFOKQOGZXDOCPF-UHFFFAOYSA-N 1 2 409.486 3.759 20 5 HHBDLO CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000490047978 999884888 /nfs/dbraw/zinc/88/48/88/999884888.db2.gz SFTKNVGCQYUHGN-UHFFFAOYSA-N 1 2 424.501 3.680 20 5 HHBDLO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000490047978 999884889 /nfs/dbraw/zinc/88/48/89/999884889.db2.gz SFTKNVGCQYUHGN-UHFFFAOYSA-N 1 2 424.501 3.680 20 5 HHBDLO COc1ccccc1C[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000493129901 1000158824 /nfs/dbraw/zinc/15/88/24/1000158824.db2.gz GRFCGPUHCDOCPC-KRWDZBQOSA-N 1 2 412.490 3.500 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000494246706 1000386319 /nfs/dbraw/zinc/38/63/19/1000386319.db2.gz DEKSVPOSWPFBCI-UYAOXDASSA-N 1 2 407.430 3.850 20 5 HHBDLO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505529994 1000876730 /nfs/dbraw/zinc/87/67/30/1000876730.db2.gz LUFAHMZHJAMLPF-QGZVFWFLSA-N 1 2 412.446 3.644 20 5 HHBDLO 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Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000506612338 1001471098 /nfs/dbraw/zinc/47/10/98/1001471098.db2.gz SHZAHYIVRSSEDR-QGZVFWFLSA-N 1 2 412.412 3.586 20 5 HHBDLO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000497751593 1001504271 /nfs/dbraw/zinc/50/42/71/1001504271.db2.gz SPHAUFOFSKYHLQ-VMPITWQZSA-N 1 2 402.454 3.614 20 5 HHBDLO CC(=O)Nc1ccccc1C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000506807429 1001540916 /nfs/dbraw/zinc/54/09/16/1001540916.db2.gz UUHBDPNIHRKXTR-UHFFFAOYSA-N 1 2 422.407 3.894 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498298514 1001764822 /nfs/dbraw/zinc/76/48/22/1001764822.db2.gz STYKNYKGHNRQMP-UHFFFAOYSA-N 1 2 405.458 3.848 20 5 HHBDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000507354591 1002017997 /nfs/dbraw/zinc/01/79/97/1002017997.db2.gz BGUQBHNZTXWMKR-RBUKOAKNSA-N 1 2 405.401 3.532 20 5 HHBDLO 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Cc1c(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000499168319 1002554833 /nfs/dbraw/zinc/55/48/33/1002554833.db2.gz OWJGWSRVLZCLOB-RTBURBONSA-N 1 2 418.881 3.750 20 5 HHBDLO Cc1csc(Sc2ccc(C(=O)NCCNc3cccc[nH+]3)cc2[N+](=O)[O-])n1 ZINC000499197409 1002586119 /nfs/dbraw/zinc/58/61/19/1002586119.db2.gz VWXSADFOMFCYED-UHFFFAOYSA-N 1 2 415.500 3.748 20 5 HHBDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000500038254 1003365106 /nfs/dbraw/zinc/36/51/06/1003365106.db2.gz VCQAONXGTIXYLO-VQIMIIECSA-N 1 2 420.872 3.923 20 5 HHBDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000500038254 1003365116 /nfs/dbraw/zinc/36/51/16/1003365116.db2.gz VCQAONXGTIXYLO-VQIMIIECSA-N 1 2 420.872 3.923 20 5 HHBDLO Cc1ccc(CNC(=O)C2CC[NH+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)cc1F ZINC000509277355 1003674511 /nfs/dbraw/zinc/67/45/11/1003674511.db2.gz AVPWVDXZZVPONX-UHFFFAOYSA-N 1 2 421.419 3.849 20 5 HHBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000509464221 1003881931 /nfs/dbraw/zinc/88/19/31/1003881931.db2.gz NOVZBQSFTBUOLU-IRXDYDNUSA-N 1 2 412.490 3.753 20 5 HHBDLO Cc1c(Br)cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000509573348 1003954356 /nfs/dbraw/zinc/95/43/56/1003954356.db2.gz UEOQOKKBQOCENZ-UHFFFAOYSA-N 1 2 418.291 3.624 20 5 HHBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)n2)C1 ZINC000500903820 1004040729 /nfs/dbraw/zinc/04/07/29/1004040729.db2.gz ZEIBCHJLZNOFJZ-DNVCBOLYSA-N 1 2 415.494 3.663 20 5 HHBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)n2)C1 ZINC000500903820 1004040736 /nfs/dbraw/zinc/04/07/36/1004040736.db2.gz ZEIBCHJLZNOFJZ-DNVCBOLYSA-N 1 2 415.494 3.663 20 5 HHBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)n2)C1 ZINC000500903821 1004040961 /nfs/dbraw/zinc/04/09/61/1004040961.db2.gz ZEIBCHJLZNOFJZ-HNAYVOBHSA-N 1 2 415.494 3.663 20 5 HHBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)n2)C1 ZINC000500903821 1004040971 /nfs/dbraw/zinc/04/09/71/1004040971.db2.gz ZEIBCHJLZNOFJZ-HNAYVOBHSA-N 1 2 415.494 3.663 20 5 HHBDLO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Cc1cnccn1 ZINC000512244621 1004147838 /nfs/dbraw/zinc/14/78/38/1004147838.db2.gz OGLDQHQPKMSBFE-UHFFFAOYSA-N 1 2 400.442 3.870 20 5 HHBDLO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Cc1cnccn1 ZINC000512244621 1004147841 /nfs/dbraw/zinc/14/78/41/1004147841.db2.gz OGLDQHQPKMSBFE-UHFFFAOYSA-N 1 2 400.442 3.870 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000512682497 1004489911 /nfs/dbraw/zinc/48/99/11/1004489911.db2.gz GXVCSBAPEPTSNR-QFIPXVFZSA-N 1 2 413.437 3.827 20 5 HHBDLO Cc1c(Br)cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000510464822 1004584894 /nfs/dbraw/zinc/58/48/94/1004584894.db2.gz MGLLNFOUAXVELZ-MEDUHNTESA-N 1 2 407.268 3.586 20 5 HHBDLO COc1cc(C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)c([N+](=O)[O-])cc1OC ZINC000513133323 1004824810 /nfs/dbraw/zinc/82/48/10/1004824810.db2.gz GQBDIXMMRVADSS-INIZCTEOSA-N 1 2 400.431 3.720 20 5 HHBDLO COc1cc(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)c([N+](=O)[O-])cc1OC ZINC000513133323 1004824814 /nfs/dbraw/zinc/82/48/14/1004824814.db2.gz GQBDIXMMRVADSS-INIZCTEOSA-N 1 2 400.431 3.720 20 5 HHBDLO CN1C(=O)C[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000510791248 1004854506 /nfs/dbraw/zinc/85/45/06/1004854506.db2.gz LCHWDWCCODUHSP-FUHWJXTLSA-N 1 2 413.783 3.727 20 5 HHBDLO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000513391244 1004939850 /nfs/dbraw/zinc/93/98/50/1004939850.db2.gz AGMGVJAEFTZYLT-QGZVFWFLSA-N 1 2 410.430 3.697 20 5 HHBDLO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000513391244 1004939858 /nfs/dbraw/zinc/93/98/58/1004939858.db2.gz AGMGVJAEFTZYLT-QGZVFWFLSA-N 1 2 410.430 3.697 20 5 HHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000502370411 1005040839 /nfs/dbraw/zinc/04/08/39/1005040839.db2.gz VWSDOESWCMCJMC-JXFKEZNVSA-N 1 2 415.515 3.513 20 5 HHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000502370411 1005040842 /nfs/dbraw/zinc/04/08/42/1005040842.db2.gz VWSDOESWCMCJMC-JXFKEZNVSA-N 1 2 415.515 3.513 20 5 HHBDLO Cc1cc(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c[nH+]c1N1CCCC[C@@H]1C ZINC000503274848 1005381862 /nfs/dbraw/zinc/38/18/62/1005381862.db2.gz JQVMLVPGBNAPEZ-LBPRGKRZSA-N 1 2 410.521 3.886 20 5 HHBDLO COc1cccc(C2=CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CC2)c1 ZINC000531226602 1006058308 /nfs/dbraw/zinc/05/83/08/1006058308.db2.gz KYGYFDJWUCOUFM-UHFFFAOYSA-N 1 2 404.426 3.719 20 5 HHBDLO COc1ccc(C[NH2+]Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])c(F)c1 ZINC000531564100 1006274587 /nfs/dbraw/zinc/27/45/87/1006274587.db2.gz KPTUTQLLMOJXLM-UHFFFAOYSA-N 1 2 418.343 3.982 20 5 HHBDLO Cn1cc(C[N@@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000515407321 1006444642 /nfs/dbraw/zinc/44/46/42/1006444642.db2.gz JKDQTZAORXTZOT-GOSISDBHSA-N 1 2 412.412 3.927 20 5 HHBDLO Cn1cc(C[N@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000515407321 1006444650 /nfs/dbraw/zinc/44/46/50/1006444650.db2.gz JKDQTZAORXTZOT-GOSISDBHSA-N 1 2 412.412 3.927 20 5 HHBDLO CC(C)c1cc(NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])nc(C(C)C)[nH+]1 ZINC000534881205 1006909149 /nfs/dbraw/zinc/90/91/49/1006909149.db2.gz QAXNMKDSYGMFLM-UHFFFAOYSA-N 1 2 421.523 3.559 20 5 HHBDLO COc1ccc(C[C@@H](C)CN(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000534938715 1006977914 /nfs/dbraw/zinc/97/79/14/1006977914.db2.gz LKPICKVMZATCJA-MRXNPFEDSA-N 1 2 408.458 3.740 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539128842 1007421536 /nfs/dbraw/zinc/42/15/36/1007421536.db2.gz ZRYHRUOJCUCFHQ-MAUKXSAKSA-N 1 2 406.845 3.535 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539128842 1007421540 /nfs/dbraw/zinc/42/15/40/1007421540.db2.gz ZRYHRUOJCUCFHQ-MAUKXSAKSA-N 1 2 406.845 3.535 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000535375727 1007437311 /nfs/dbraw/zinc/43/73/11/1007437311.db2.gz XIUOJOAVBAIYOL-DYVFJYSZSA-N 1 2 419.865 3.737 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000535375727 1007437327 /nfs/dbraw/zinc/43/73/27/1007437327.db2.gz XIUOJOAVBAIYOL-DYVFJYSZSA-N 1 2 419.865 3.737 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539216985 1007507904 /nfs/dbraw/zinc/50/79/04/1007507904.db2.gz ZAFRETRSSRNGCE-QUCCMNQESA-N 1 2 421.856 3.718 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539216985 1007507918 /nfs/dbraw/zinc/50/79/18/1007507918.db2.gz ZAFRETRSSRNGCE-QUCCMNQESA-N 1 2 421.856 3.718 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539218773 1007509582 /nfs/dbraw/zinc/50/95/82/1007509582.db2.gz XUDZHZZVICMCSH-LPHOPBHVSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539218773 1007509593 /nfs/dbraw/zinc/50/95/93/1007509593.db2.gz XUDZHZZVICMCSH-LPHOPBHVSA-N 1 2 421.856 3.961 20 5 HHBDLO Cc1ccc(S(=O)(=O)CCC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000539250218 1007542254 /nfs/dbraw/zinc/54/22/54/1007542254.db2.gz ICJJUGWDZUEJFH-UHFFFAOYSA-N 1 2 418.515 3.610 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000533280388 1007592814 /nfs/dbraw/zinc/59/28/14/1007592814.db2.gz UMPWGOHQRHEIRH-PQUAAJSLSA-N 1 2 419.522 3.990 20 5 HHBDLO CC(C)Cn1ncc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1C(F)F ZINC000535570564 1007597857 /nfs/dbraw/zinc/59/78/57/1007597857.db2.gz XEAYLXYPYFDTKF-UHFFFAOYSA-N 1 2 404.377 3.823 20 5 HHBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000533426774 1007735206 /nfs/dbraw/zinc/73/52/06/1007735206.db2.gz HFNVXVBRKBLIJA-DOTOQJQBSA-N 1 2 413.449 3.964 20 5 HHBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000533426774 1007735212 /nfs/dbraw/zinc/73/52/12/1007735212.db2.gz HFNVXVBRKBLIJA-DOTOQJQBSA-N 1 2 413.449 3.964 20 5 HHBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000533526609 1007846935 /nfs/dbraw/zinc/84/69/35/1007846935.db2.gz YIELMDXNHSZFKC-NRFANRHFSA-N 1 2 423.473 3.528 20 5 HHBDLO CC(C)C[C@H](C)Oc1cc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccn1 ZINC000518437972 1008305699 /nfs/dbraw/zinc/30/56/99/1008305699.db2.gz BBZVGLJWLHWYBI-INIZCTEOSA-N 1 2 423.473 3.919 20 5 HHBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000518643953 1008377094 /nfs/dbraw/zinc/37/70/94/1008377094.db2.gz HZTOBFOVZMDXRO-HNNXBMFYSA-N 1 2 412.471 3.990 20 5 HHBDLO O=[N+]([O-])c1cc(F)ccc1/C=C/c1nc(-c2ccccc2C[NH+]2CCOCC2)no1 ZINC000545591648 1008691371 /nfs/dbraw/zinc/69/13/71/1008691371.db2.gz QFJSQKWICNYBAX-SOFGYWHQSA-N 1 2 410.405 3.787 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3ccc(CC)s3)CC2)c1 ZINC000549381653 1008966360 /nfs/dbraw/zinc/96/63/60/1008966360.db2.gz PIVPCAHKYMMPHC-UHFFFAOYSA-N 1 2 403.504 3.575 20 5 HHBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000543521219 1009113189 /nfs/dbraw/zinc/11/31/89/1009113189.db2.gz JOLTVTIJTBNSHY-LSDHHAIUSA-N 1 2 403.429 3.882 20 5 HHBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)n2)C1 ZINC000520104719 1009260917 /nfs/dbraw/zinc/26/09/17/1009260917.db2.gz YDKHFBDIHLIOJQ-CQSZACIVSA-N 1 2 413.503 3.877 20 5 HHBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)n2)C1 ZINC000520104719 1009260927 /nfs/dbraw/zinc/26/09/27/1009260927.db2.gz YDKHFBDIHLIOJQ-CQSZACIVSA-N 1 2 413.503 3.877 20 5 HHBDLO O=[N+]([O-])c1ccc(C(F)(F)c2nc(-c3ccccc3C[NH+]3CCOCC3)no2)cc1 ZINC000546302940 1009321128 /nfs/dbraw/zinc/32/11/28/1009321128.db2.gz MYLGJHBKUNPCLM-UHFFFAOYSA-N 1 2 416.384 3.617 20 5 HHBDLO COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)[C@H]2C ZINC000543786370 1009355883 /nfs/dbraw/zinc/35/58/83/1009355883.db2.gz RWOGMWCYSMUGRJ-GJZGRUSLSA-N 1 2 406.442 3.937 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543891717 1009471302 /nfs/dbraw/zinc/47/13/02/1009471302.db2.gz HIUKXUBWSLTIOT-MJGOQNOKSA-N 1 2 422.407 3.647 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543891717 1009471308 /nfs/dbraw/zinc/47/13/08/1009471308.db2.gz HIUKXUBWSLTIOT-MJGOQNOKSA-N 1 2 422.407 3.647 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000550011093 1009609927 /nfs/dbraw/zinc/60/99/27/1009609927.db2.gz NZSILFMVRLQDNB-GUYCJALGSA-N 1 2 419.865 3.737 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000550011093 1009609931 /nfs/dbraw/zinc/60/99/31/1009609931.db2.gz NZSILFMVRLQDNB-GUYCJALGSA-N 1 2 419.865 3.737 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000550011092 1009610348 /nfs/dbraw/zinc/61/03/48/1009610348.db2.gz NZSILFMVRLQDNB-DYVFJYSZSA-N 1 2 419.865 3.737 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000550011092 1009610353 /nfs/dbraw/zinc/61/03/53/1009610353.db2.gz NZSILFMVRLQDNB-DYVFJYSZSA-N 1 2 419.865 3.737 20 5 HHBDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000546779065 1009744640 /nfs/dbraw/zinc/74/46/40/1009744640.db2.gz WMLWYFPSXVAMHZ-UHFFFAOYSA-N 1 2 413.455 3.535 20 5 HHBDLO CC(C)OC1CC[NH+](Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000520896029 1009950018 /nfs/dbraw/zinc/95/00/18/1009950018.db2.gz DBUVMBQIBFQQKC-UHFFFAOYSA-N 1 2 404.248 3.589 20 5 HHBDLO Cc1ccccc1CCc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n[nH]1 ZINC000544339421 1009963715 /nfs/dbraw/zinc/96/37/15/1009963715.db2.gz ICSVPLYLPQBBBK-UHFFFAOYSA-N 1 2 416.441 3.850 20 5 HHBDLO C[C@H](c1nc(-c2ccccc2C[NH+]2CCOCC2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000547008736 1009965285 /nfs/dbraw/zinc/96/52/85/1009965285.db2.gz IKRUEUNDOQLXDF-AWEZNQCLSA-N 1 2 412.421 3.768 20 5 HHBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000550792361 1010182171 /nfs/dbraw/zinc/18/21/71/1010182171.db2.gz OSIUKNWUKNEMLE-UHFFFAOYSA-N 1 2 415.247 3.781 20 5 HHBDLO O=C(Nc1ccc(Oc2cccnc2)nc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000551051508 1010337031 /nfs/dbraw/zinc/33/70/31/1010337031.db2.gz JOAOXSAXCJBGTL-UHFFFAOYSA-N 1 2 402.370 3.615 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(c1cccc(F)c1)C1CCOCC1 ZINC000540719780 1011371331 /nfs/dbraw/zinc/37/13/31/1011371331.db2.gz ONUGDPTZZVKIJM-UHFFFAOYSA-N 1 2 410.405 3.745 20 5 HHBDLO COc1c(C)c[nH+]c(CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1C ZINC000540724305 1011376623 /nfs/dbraw/zinc/37/66/23/1011376623.db2.gz GEHIMRRHNJDVGV-UHFFFAOYSA-N 1 2 403.460 3.847 20 5 HHBDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540799857 1011461540 /nfs/dbraw/zinc/46/15/40/1011461540.db2.gz CXGBGORNSZSZBK-SJLPKXTDSA-N 1 2 406.845 3.736 20 5 HHBDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540799857 1011461547 /nfs/dbraw/zinc/46/15/47/1011461547.db2.gz CXGBGORNSZSZBK-SJLPKXTDSA-N 1 2 406.845 3.736 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1OC ZINC000541057793 1011698589 /nfs/dbraw/zinc/69/85/89/1011698589.db2.gz ATEGYBQYSKLCCQ-XAYKYTGQSA-N 1 2 420.428 3.916 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1OC ZINC000541057793 1011698592 /nfs/dbraw/zinc/69/85/92/1011698592.db2.gz ATEGYBQYSKLCCQ-XAYKYTGQSA-N 1 2 420.428 3.916 20 5 HHBDLO COc1sc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1Br ZINC000536680164 1011843140 /nfs/dbraw/zinc/84/31/40/1011843140.db2.gz FFYXMZIUSHMKMK-JTQLQIEISA-N 1 2 413.297 3.509 20 5 HHBDLO COc1sc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1Br ZINC000536680164 1011843159 /nfs/dbraw/zinc/84/31/59/1011843159.db2.gz FFYXMZIUSHMKMK-JTQLQIEISA-N 1 2 413.297 3.509 20 5 HHBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)cccc1[N+](=O)[O-] ZINC000536712984 1011885960 /nfs/dbraw/zinc/88/59/60/1011885960.db2.gz AFLYMTIERKBLLT-MRXNPFEDSA-N 1 2 423.469 3.791 20 5 HHBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)cccc1[N+](=O)[O-] ZINC000536712984 1011885967 /nfs/dbraw/zinc/88/59/67/1011885967.db2.gz AFLYMTIERKBLLT-MRXNPFEDSA-N 1 2 423.469 3.791 20 5 HHBDLO Cn1ccnc1[C@H]([NH2+]CCOc1cccc(C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1 ZINC000552061299 1012080383 /nfs/dbraw/zinc/08/03/83/1012080383.db2.gz FTYKPLAQGQQBRB-QGZVFWFLSA-N 1 2 421.379 3.500 20 5 HHBDLO Cn1ccnc1[C@H]([NH2+]CCOCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000552275026 1012288950 /nfs/dbraw/zinc/28/89/50/1012288950.db2.gz IUFBRCLKQZUARJ-LJQANCHMSA-N 1 2 400.866 3.878 20 5 HHBDLO O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CC(n2cc[nH+]c2)C1 ZINC000523689962 1012292505 /nfs/dbraw/zinc/29/25/05/1012292505.db2.gz IOALFSXFUNSGBC-UHFFFAOYSA-N 1 2 411.849 3.754 20 5 HHBDLO COC[C@@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(C)o1 ZINC000541628745 1012441606 /nfs/dbraw/zinc/44/16/06/1012441606.db2.gz KADKQXVNESDWTF-OAHLLOKOSA-N 1 2 416.459 3.536 20 5 HHBDLO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000541635903 1012450069 /nfs/dbraw/zinc/45/00/69/1012450069.db2.gz UWMDQYLDERHHIZ-GFCCVEGCSA-N 1 2 423.438 3.585 20 5 HHBDLO Cc1nc(NCc2cccc(C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)c2)cc[nH+]1 ZINC000541672331 1012502368 /nfs/dbraw/zinc/50/23/68/1012502368.db2.gz FZLCRTUOYKFFQV-UHFFFAOYSA-N 1 2 405.458 3.970 20 5 HHBDLO Cc1ccc(-c2noc(CN3CC[NH+](Cc4ccc([N+](=O)[O-])cc4C)CC3)n2)cc1 ZINC000541774474 1012641436 /nfs/dbraw/zinc/64/14/36/1012641436.db2.gz UJFJNKCWFFBNOE-UHFFFAOYSA-N 1 2 407.474 3.579 20 5 HHBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000537247140 1012691373 /nfs/dbraw/zinc/69/13/73/1012691373.db2.gz VLCGRUPZQIJCAJ-UHFFFAOYSA-N 1 2 417.400 3.912 20 5 HHBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000541834308 1012721944 /nfs/dbraw/zinc/72/19/44/1012721944.db2.gz GIFUKOPRJFEZAQ-AWEZNQCLSA-N 1 2 402.426 3.653 20 5 HHBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000552936141 1012930584 /nfs/dbraw/zinc/93/05/84/1012930584.db2.gz OZPNGTVSXHMMGB-UHFFFAOYSA-N 1 2 402.863 3.820 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nc(-c3ccc(N4CCCCC4)nc3)no2)cc1-n1cc[nH+]c1 ZINC000904428087 1071760299 /nfs/dbraw/zinc/76/02/99/1071760299.db2.gz LFESJFTUVYLNDV-UHFFFAOYSA-N 1 2 417.429 3.883 20 5 HHBDLO CC(C)Cc1ccc([C@@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC001212067700 1071947081 /nfs/dbraw/zinc/94/70/81/1071947081.db2.gz WQHJRWFKPJTYFX-LJQANCHMSA-N 1 2 423.510 3.514 20 5 HHBDLO O=C(Nc1ccc([S@](=O)C(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001126760066 1072063619 /nfs/dbraw/zinc/06/36/19/1072063619.db2.gz JPMSLYCYMTXKIB-LJAQVGFWSA-N 1 2 424.360 3.660 20 5 HHBDLO Cc1ccc(C)c(S(=O)(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)c1[N+](=O)[O-] ZINC000479130685 1072740814 /nfs/dbraw/zinc/74/08/14/1072740814.db2.gz NBJXASGWKWRCBJ-UHFFFAOYSA-N 1 2 403.504 3.649 20 5 HHBDLO Cc1ccc(C)c(S(=O)(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)c1[N+](=O)[O-] ZINC000479130685 1072740820 /nfs/dbraw/zinc/74/08/20/1072740820.db2.gz NBJXASGWKWRCBJ-UHFFFAOYSA-N 1 2 403.504 3.649 20 5 HHBDLO CCOc1cc(C[NH2+][C@H]2CCCC2(F)F)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000588930190 1073347358 /nfs/dbraw/zinc/34/73/58/1073347358.db2.gz OUSFYIKXPRSGBR-SFHVURJKSA-N 1 2 424.448 3.855 20 5 HHBDLO CN(C)c1ccc([NH+]2CCC(Nc3ncc(Br)cc3[N+](=O)[O-])CC2)cc1 ZINC000301710432 971037042 /nfs/dbraw/zinc/03/70/42/971037042.db2.gz XLNUVQMFQSNYCA-UHFFFAOYSA-N 1 2 420.311 3.899 20 5 HHBDLO C[N@@H+]1CCO[C@H]([C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000301899417 971105819 /nfs/dbraw/zinc/10/58/19/971105819.db2.gz TUQAJTFWLXAZOR-ZWKOTPCHSA-N 1 2 406.826 3.640 20 5 HHBDLO C[N@H+]1CCO[C@H]([C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000301899417 971105826 /nfs/dbraw/zinc/10/58/26/971105826.db2.gz TUQAJTFWLXAZOR-ZWKOTPCHSA-N 1 2 406.826 3.640 20 5 HHBDLO CC[N@@H+]1CC[C@H](Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000302063143 971165909 /nfs/dbraw/zinc/16/59/09/971165909.db2.gz AEGPWXASDFFGDR-QFBILLFUSA-N 1 2 422.407 3.619 20 5 HHBDLO CC[N@H+]1CC[C@H](Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000302063143 971165914 /nfs/dbraw/zinc/16/59/14/971165914.db2.gz AEGPWXASDFFGDR-QFBILLFUSA-N 1 2 422.407 3.619 20 5 HHBDLO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000302142335 971185966 /nfs/dbraw/zinc/18/59/66/971185966.db2.gz PLMTZEPBYXUQQA-AWEZNQCLSA-N 1 2 404.492 3.673 20 5 HHBDLO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000302142335 971185972 /nfs/dbraw/zinc/18/59/72/971185972.db2.gz PLMTZEPBYXUQQA-AWEZNQCLSA-N 1 2 404.492 3.673 20 5 HHBDLO O=[N+]([O-])c1cnc(N2CC[NH+]([C@H](c3ccccc3)c3ccccc3Cl)CC2)nc1 ZINC000302160300 971191434 /nfs/dbraw/zinc/19/14/34/971191434.db2.gz OVIOEILHOGJWPL-HXUWFJFHSA-N 1 2 409.877 3.950 20 5 HHBDLO CCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000303102212 971504300 /nfs/dbraw/zinc/50/43/00/971504300.db2.gz LOABBHJDPXYXEL-INIZCTEOSA-N 1 2 421.457 3.660 20 5 HHBDLO O=C(C[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1[N+](=O)[O-] ZINC000303444443 971736349 /nfs/dbraw/zinc/73/63/49/971736349.db2.gz ZGODNCDOVYXMIQ-UHFFFAOYSA-N 1 2 412.273 3.725 20 5 HHBDLO O=C(C[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1[N+](=O)[O-] ZINC000303444443 971736354 /nfs/dbraw/zinc/73/63/54/971736354.db2.gz ZGODNCDOVYXMIQ-UHFFFAOYSA-N 1 2 412.273 3.725 20 5 HHBDLO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000303526673 971827541 /nfs/dbraw/zinc/82/75/41/971827541.db2.gz QWQLNLZHNDZFQH-FQEVSTJZSA-N 1 2 424.501 3.665 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(CC(F)(F)C(F)F)CC3)o2)cc1 ZINC000537623632 1013172819 /nfs/dbraw/zinc/17/28/19/1013172819.db2.gz LUPUDMLEXHUNCN-UHFFFAOYSA-N 1 2 401.360 3.873 20 5 HHBDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537625711 1013175065 /nfs/dbraw/zinc/17/50/65/1013175065.db2.gz RJUJPKJKZVDHBH-NEPJUHHUSA-N 1 2 400.884 3.762 20 5 HHBDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537625711 1013175072 /nfs/dbraw/zinc/17/50/72/1013175072.db2.gz RJUJPKJKZVDHBH-NEPJUHHUSA-N 1 2 400.884 3.762 20 5 HHBDLO Cc1cc(N2CCN(C(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CC2)nc(C(C)C)[nH+]1 ZINC000537643307 1013202806 /nfs/dbraw/zinc/20/28/06/1013202806.db2.gz LJRQJFRQKAHCIZ-UHFFFAOYSA-N 1 2 411.506 3.704 20 5 HHBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000537681791 1013242205 /nfs/dbraw/zinc/24/22/05/1013242205.db2.gz XIJKCVZBVQQNGT-OAHLLOKOSA-N 1 2 411.437 3.663 20 5 HHBDLO COc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000014325331 962470103 /nfs/dbraw/zinc/47/01/03/962470103.db2.gz TVBITOCEPAANPQ-HNNXBMFYSA-N 1 2 411.458 3.525 20 5 HHBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015038931 962637415 /nfs/dbraw/zinc/63/74/15/962637415.db2.gz QYILJIMXRRBERG-MRXNPFEDSA-N 1 2 423.473 3.674 20 5 HHBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015038931 962637419 /nfs/dbraw/zinc/63/74/19/962637419.db2.gz QYILJIMXRRBERG-MRXNPFEDSA-N 1 2 423.473 3.674 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000016587419 963067774 /nfs/dbraw/zinc/06/77/74/963067774.db2.gz CUNJKKJQOBTBSW-UHFFFAOYSA-N 1 2 409.389 3.665 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000016587419 963067790 /nfs/dbraw/zinc/06/77/90/963067790.db2.gz CUNJKKJQOBTBSW-UHFFFAOYSA-N 1 2 409.389 3.665 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000017307829 963183089 /nfs/dbraw/zinc/18/30/89/963183089.db2.gz NXFCOCASSMVZJJ-MRXNPFEDSA-N 1 2 419.503 3.675 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000017307829 963183096 /nfs/dbraw/zinc/18/30/96/963183096.db2.gz NXFCOCASSMVZJJ-MRXNPFEDSA-N 1 2 419.503 3.675 20 5 HHBDLO O=[N+]([O-])c1ccc2cnn(C[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000023741912 963882999 /nfs/dbraw/zinc/88/29/99/963882999.db2.gz UJOPTMLWZFKKIG-UHFFFAOYSA-N 1 2 405.380 3.743 20 5 HHBDLO C[N@@H+]1CCO[C@H]([C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)c2ccc(Cl)cc2)C1 ZINC000542508059 1013452465 /nfs/dbraw/zinc/45/24/65/1013452465.db2.gz VOSMNXAXZVSWHN-PKOBYXMFSA-N 1 2 413.865 3.675 20 5 HHBDLO C[N@H+]1CCO[C@H]([C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)c2ccc(Cl)cc2)C1 ZINC000542508059 1013452470 /nfs/dbraw/zinc/45/24/70/1013452470.db2.gz VOSMNXAXZVSWHN-PKOBYXMFSA-N 1 2 413.865 3.675 20 5 HHBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])c1 ZINC000024662787 964043251 /nfs/dbraw/zinc/04/32/51/964043251.db2.gz RHLNAPQAYYDHGL-CQSZACIVSA-N 1 2 410.430 3.563 20 5 HHBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])c1 ZINC000024662787 964043264 /nfs/dbraw/zinc/04/32/64/964043264.db2.gz RHLNAPQAYYDHGL-CQSZACIVSA-N 1 2 410.430 3.563 20 5 HHBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC(F)F ZINC000026452535 964568264 /nfs/dbraw/zinc/56/82/64/964568264.db2.gz ZJBHZKQPGOHXMY-UHFFFAOYSA-N 1 2 409.389 3.584 20 5 HHBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC(F)F ZINC000026452535 964568266 /nfs/dbraw/zinc/56/82/66/964568266.db2.gz ZJBHZKQPGOHXMY-UHFFFAOYSA-N 1 2 409.389 3.584 20 5 HHBDLO O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000542565968 1013507370 /nfs/dbraw/zinc/50/73/70/1013507370.db2.gz OCWGCIHACSVCBV-YLJYHZDGSA-N 1 2 410.405 3.570 20 5 HHBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000052750965 964977776 /nfs/dbraw/zinc/97/77/76/964977776.db2.gz NYSQTVFAUWFWTO-UHFFFAOYSA-N 1 2 407.392 3.501 20 5 HHBDLO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000052844707 964999595 /nfs/dbraw/zinc/99/95/95/964999595.db2.gz ZVPZJKFIGCWZLW-APWZRJJASA-N 1 2 414.531 3.531 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000052865538 965005602 /nfs/dbraw/zinc/00/56/02/965005602.db2.gz DAGQDJFQUFDCNB-LJQANCHMSA-N 1 2 413.474 3.613 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000052865538 965005613 /nfs/dbraw/zinc/00/56/13/965005613.db2.gz DAGQDJFQUFDCNB-LJQANCHMSA-N 1 2 413.474 3.613 20 5 HHBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000028416486 965098302 /nfs/dbraw/zinc/09/83/02/965098302.db2.gz ZJYIQVSSOMSQSS-GOSISDBHSA-N 1 2 405.857 3.883 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000029685075 965457979 /nfs/dbraw/zinc/45/79/79/965457979.db2.gz HHIYLAOHLJNDDW-INIZCTEOSA-N 1 2 416.909 3.874 20 5 HHBDLO CC(C)[C@@H](CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000029839965 965519230 /nfs/dbraw/zinc/51/92/30/965519230.db2.gz PYFXCEUBMIZIAA-JOCHJYFZSA-N 1 2 410.518 3.510 20 5 HHBDLO CC(C)(C)c1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000029931995 965566471 /nfs/dbraw/zinc/56/64/71/965566471.db2.gz YAPOHGFZZWEPGG-UHFFFAOYSA-N 1 2 411.502 3.655 20 5 HHBDLO O=C(NCc1sccc1Br)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000058765899 965885634 /nfs/dbraw/zinc/88/56/34/965885634.db2.gz KPVQZPCCGKJIDJ-UHFFFAOYSA-N 1 2 407.249 3.535 20 5 HHBDLO O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055739865 966043379 /nfs/dbraw/zinc/04/33/79/966043379.db2.gz HOYJRYLNPLTMAY-UHFFFAOYSA-N 1 2 419.441 3.659 20 5 HHBDLO O=C(C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000059958659 966046112 /nfs/dbraw/zinc/04/61/12/966046112.db2.gz PDZOOOOEHYUCCV-KRWDZBQOSA-N 1 2 403.866 3.868 20 5 HHBDLO O=C(C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000059958659 966046122 /nfs/dbraw/zinc/04/61/22/966046122.db2.gz PDZOOOOEHYUCCV-KRWDZBQOSA-N 1 2 403.866 3.868 20 5 HHBDLO COc1ccc(C2(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CCCC2)cc1 ZINC000060375873 966119480 /nfs/dbraw/zinc/11/94/80/966119480.db2.gz IAIWGWDTRAGJPA-UHFFFAOYSA-N 1 2 406.442 3.988 20 5 HHBDLO O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032161100 966197373 /nfs/dbraw/zinc/19/73/73/966197373.db2.gz JJJJOONHYGCLRJ-SFHVURJKSA-N 1 2 408.414 3.591 20 5 HHBDLO CCOc1ccc([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1OC ZINC000032243494 966204411 /nfs/dbraw/zinc/20/44/11/966204411.db2.gz JTAFSNJVJLBZMP-CQSZACIVSA-N 1 2 410.430 3.679 20 5 HHBDLO CC(C)(C)c1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000032252394 966207514 /nfs/dbraw/zinc/20/75/14/966207514.db2.gz HYOONYDUJXQUPL-LJQANCHMSA-N 1 2 411.502 3.523 20 5 HHBDLO CC(C)(C)c1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000032252394 966207526 /nfs/dbraw/zinc/20/75/26/966207526.db2.gz HYOONYDUJXQUPL-LJQANCHMSA-N 1 2 411.502 3.523 20 5 HHBDLO O=C(NCCOc1ccc2ccccc2c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032638885 966301758 /nfs/dbraw/zinc/30/17/58/966301758.db2.gz FKPAQOSDBSKVQL-UHFFFAOYSA-N 1 2 402.410 3.743 20 5 HHBDLO CC(C)OC(=O)C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000033226298 966397444 /nfs/dbraw/zinc/39/74/44/966397444.db2.gz MPLZSZDTJDOSRM-SFHVURJKSA-N 1 2 422.441 3.593 20 5 HHBDLO Cc1c(NC(=O)[C@@H](C)N2CC[NH+](C/C=C/c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000042287421 966767224 /nfs/dbraw/zinc/76/72/24/966767224.db2.gz QJQSSVSCRYTWAS-QPGLYAHGSA-N 1 2 408.502 3.561 20 5 HHBDLO COC(=O)c1ccc(OC(C)C)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000063622238 966907569 /nfs/dbraw/zinc/90/75/69/966907569.db2.gz GZVZAGZFCZWBNR-UHFFFAOYSA-N 1 2 424.413 3.607 20 5 HHBDLO Cc1nn(Cc2ccc(C(=O)Nc3ccccc3-n3cc[nH+]c3)cc2)c(C)c1[N+](=O)[O-] ZINC000045860247 967576545 /nfs/dbraw/zinc/57/65/45/967576545.db2.gz NXVOAOPVKWBZRV-UHFFFAOYSA-N 1 2 416.441 3.894 20 5 HHBDLO O=C(C[C@H]1CCCO1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000046121338 967667395 /nfs/dbraw/zinc/66/73/95/967667395.db2.gz YLIIKKIFVLIXDG-MRXNPFEDSA-N 1 2 415.515 3.537 20 5 HHBDLO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000046227813 967702828 /nfs/dbraw/zinc/70/28/28/967702828.db2.gz WECKTODDQZSUDP-QPJJXVBHSA-N 1 2 414.893 3.518 20 5 HHBDLO CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000046604359 967875806 /nfs/dbraw/zinc/87/58/06/967875806.db2.gz RWUNZIDJDHYDNB-UHFFFAOYSA-N 1 2 407.430 3.561 20 5 HHBDLO O=C(c1cc(F)ccc1F)C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000047798106 968317087 /nfs/dbraw/zinc/31/70/87/968317087.db2.gz WIBMHGXEEICDRZ-UHFFFAOYSA-N 1 2 418.396 3.834 20 5 HHBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000538272908 1013812446 /nfs/dbraw/zinc/81/24/46/1013812446.db2.gz VOYYWPVUMKFSQK-HNNXBMFYSA-N 1 2 410.449 3.663 20 5 HHBDLO COCCN(CCCc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000065768659 968633941 /nfs/dbraw/zinc/63/39/41/968633941.db2.gz UOFLGVRBHQTXQT-UHFFFAOYSA-N 1 2 408.458 3.502 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(N(C)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000065956702 968736165 /nfs/dbraw/zinc/73/61/65/968736165.db2.gz WZIYJILXAOJTKL-MRXNPFEDSA-N 1 2 412.490 3.531 20 5 HHBDLO Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(OC[C@@H]2CCCO2)c1 ZINC000072021849 968937856 /nfs/dbraw/zinc/93/78/56/968937856.db2.gz KEKCDXGXMHQVND-KRWDZBQOSA-N 1 2 422.441 3.899 20 5 HHBDLO CSc1cc2c(cc1NC(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)OCCO2 ZINC000110112474 969624493 /nfs/dbraw/zinc/62/44/93/969624493.db2.gz ZZLLOAHXXXUQTK-UHFFFAOYSA-N 1 2 412.427 3.526 20 5 HHBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ncc(Br)cc2Br)cc1 ZINC000135293536 969975830 /nfs/dbraw/zinc/97/58/30/969975830.db2.gz PPPSTRXJDZMAFV-UHFFFAOYSA-N 1 2 401.058 3.805 20 5 HHBDLO Cc1ccc(-c2ccnn2C)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000410193748 973688970 /nfs/dbraw/zinc/68/89/70/973688970.db2.gz RWQYHBPIEOOSEL-UHFFFAOYSA-N 1 2 402.414 3.742 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000427027657 974837902 /nfs/dbraw/zinc/83/79/02/974837902.db2.gz JONCOYZUHAWVIC-AEFFLSMTSA-N 1 2 407.829 3.571 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000427027657 974837906 /nfs/dbraw/zinc/83/79/06/974837906.db2.gz JONCOYZUHAWVIC-AEFFLSMTSA-N 1 2 407.829 3.571 20 5 HHBDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CCO1 ZINC000428060706 975411609 /nfs/dbraw/zinc/41/16/09/975411609.db2.gz UNBYCWHEZKFEED-SFHVURJKSA-N 1 2 415.515 3.587 20 5 HHBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CCO1 ZINC000428060706 975411610 /nfs/dbraw/zinc/41/16/10/975411610.db2.gz UNBYCWHEZKFEED-SFHVURJKSA-N 1 2 415.515 3.587 20 5 HHBDLO Cc1ccc(Sc2ccc(C(=O)N[C@H]3CCn4cc[nH+]c4C3)cc2[N+](=O)[O-])cc1 ZINC000428363617 975680369 /nfs/dbraw/zinc/68/03/69/975680369.db2.gz ZNOGZGOSRSJQBC-INIZCTEOSA-N 1 2 408.483 3.996 20 5 HHBDLO Cc1cc(F)ccc1C1CC[NH+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000428762231 976033510 /nfs/dbraw/zinc/03/35/10/976033510.db2.gz WYQBHIKOBFLBJY-UHFFFAOYSA-N 1 2 415.421 3.589 20 5 HHBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429779547 977063914 /nfs/dbraw/zinc/06/39/14/977063914.db2.gz AYPGBWBARHEGFL-UHFFFAOYSA-N 1 2 415.247 3.532 20 5 HHBDLO CCc1noc(-c2ccc(C)c(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)c2)n1 ZINC000430445460 977556198 /nfs/dbraw/zinc/55/61/98/977556198.db2.gz AUGDBCZQHIIENX-UHFFFAOYSA-N 1 2 418.413 3.954 20 5 HHBDLO C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000433048022 979051351 /nfs/dbraw/zinc/05/13/51/979051351.db2.gz YRYBTVRHHMZFLG-ZOKDDAQRSA-N 1 2 424.526 3.790 20 5 HHBDLO C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000433048022 979051357 /nfs/dbraw/zinc/05/13/57/979051357.db2.gz YRYBTVRHHMZFLG-ZOKDDAQRSA-N 1 2 424.526 3.790 20 5 HHBDLO CC1CCN(c2ccc(C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2[N+](=O)[O-])CC1 ZINC000434045519 979784325 /nfs/dbraw/zinc/78/43/25/979784325.db2.gz GVEMHAOMEIDEON-LJQANCHMSA-N 1 2 410.474 3.520 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434491142 980208860 /nfs/dbraw/zinc/20/88/60/980208860.db2.gz ASLXBBYPDXCIOH-HNNXBMFYSA-N 1 2 401.438 3.891 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(OCC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000434907202 980484954 /nfs/dbraw/zinc/48/49/54/980484954.db2.gz QJBNSQOTWFRBEI-OAHLLOKOSA-N 1 2 405.495 3.602 20 5 HHBDLO Cc1c(NC(=O)NCc2ccn3cc[nH+]c3c2)cc(Br)cc1[N+](=O)[O-] ZINC000435325391 980783837 /nfs/dbraw/zinc/78/38/37/980783837.db2.gz ZYROSUNGCQDBNM-UHFFFAOYSA-N 1 2 404.224 3.635 20 5 HHBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000437028935 981700925 /nfs/dbraw/zinc/70/09/25/981700925.db2.gz DFAKGDRSMWQHIA-UHFFFAOYSA-N 1 2 407.474 3.850 20 5 HHBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000437036843 981707549 /nfs/dbraw/zinc/70/75/49/981707549.db2.gz VOFNSSWDGZYMSF-UHFFFAOYSA-N 1 2 411.506 3.557 20 5 HHBDLO CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])CC2)cs1 ZINC000437538210 982166912 /nfs/dbraw/zinc/16/69/12/982166912.db2.gz LXEUBRBDNJIOGZ-AWEZNQCLSA-N 1 2 408.499 3.606 20 5 HHBDLO CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])CC2)cs1 ZINC000437538210 982166915 /nfs/dbraw/zinc/16/69/15/982166915.db2.gz LXEUBRBDNJIOGZ-AWEZNQCLSA-N 1 2 408.499 3.606 20 5 HHBDLO O=C([C@@H]1CCCS1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000439020068 983214210 /nfs/dbraw/zinc/21/42/10/983214210.db2.gz IZAHWKBIKQXUJM-IBGZPJMESA-N 1 2 417.556 3.863 20 5 HHBDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000440094044 983641786 /nfs/dbraw/zinc/64/17/86/983641786.db2.gz BDKUDXYUULEGSM-HTAPYJJXSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000440094044 983641787 /nfs/dbraw/zinc/64/17/87/983641787.db2.gz BDKUDXYUULEGSM-HTAPYJJXSA-N 1 2 410.518 3.979 20 5 HHBDLO CC(C)(CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000440432526 983755697 /nfs/dbraw/zinc/75/56/97/983755697.db2.gz SXLXPSBHWQECEH-UHFFFAOYSA-N 1 2 415.515 3.587 20 5 HHBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(C)c1 ZINC000442230033 984749652 /nfs/dbraw/zinc/74/96/52/984749652.db2.gz CUFGKCNXEASHMN-QFIPXVFZSA-N 1 2 419.485 3.917 20 5 HHBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)c1 ZINC000462401578 985379146 /nfs/dbraw/zinc/37/91/46/985379146.db2.gz KESYOUDFIRAODA-UHFFFAOYSA-N 1 2 407.392 3.880 20 5 HHBDLO O=[N+]([O-])c1ccc(NCc2ccccc2-n2cc[nH+]c2)nc1OCc1ccccc1 ZINC000462690604 985630732 /nfs/dbraw/zinc/63/07/32/985630732.db2.gz IPKGWHVUFRZZNL-UHFFFAOYSA-N 1 2 401.426 4.367 20 5 HHBDLO CNc1c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000462781609 985716388 /nfs/dbraw/zinc/71/63/88/985716388.db2.gz YXKTUPLGDDGTGW-MAUKXSAKSA-N 1 2 406.845 3.604 20 5 HHBDLO CNc1c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000462781609 985716397 /nfs/dbraw/zinc/71/63/97/985716397.db2.gz YXKTUPLGDDGTGW-MAUKXSAKSA-N 1 2 406.845 3.604 20 5 HHBDLO Cc1ccc(-n2cc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cn2)c(C)c1 ZINC000468141101 985808644 /nfs/dbraw/zinc/80/86/44/985808644.db2.gz YUWORJKOVNNLRX-UHFFFAOYSA-N 1 2 402.414 3.835 20 5 HHBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000462987668 985935983 /nfs/dbraw/zinc/93/59/83/985935983.db2.gz HMLQCXAGGSSVHC-IBGZPJMESA-N 1 2 411.502 3.517 20 5 HHBDLO Cc1c(C[NH+]2CCSCC2)cccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000444033647 986229714 /nfs/dbraw/zinc/22/97/14/986229714.db2.gz RKGMFRNSWLYLFR-UHFFFAOYSA-N 1 2 421.544 3.561 20 5 HHBDLO O=C(C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000463449173 986429299 /nfs/dbraw/zinc/42/92/99/986429299.db2.gz OJBWMXNJCAQQSL-NRFANRHFSA-N 1 2 417.893 3.504 20 5 HHBDLO O=C(C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000463449173 986429304 /nfs/dbraw/zinc/42/93/04/986429304.db2.gz OJBWMXNJCAQQSL-NRFANRHFSA-N 1 2 417.893 3.504 20 5 HHBDLO O=C(NCCCCF)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000463513509 986489369 /nfs/dbraw/zinc/48/93/69/986489369.db2.gz ONXBIUYMDDMGHY-UHFFFAOYSA-N 1 2 420.510 3.900 20 5 HHBDLO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469048285 986758379 /nfs/dbraw/zinc/75/83/79/986758379.db2.gz UXQMLRMZNRQTJM-AWEZNQCLSA-N 1 2 415.247 3.958 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000444896195 987045744 /nfs/dbraw/zinc/04/57/44/987045744.db2.gz CCOZIKWPWAYDCB-LJQANCHMSA-N 1 2 409.446 3.980 20 5 HHBDLO CCOc1cc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1OCC ZINC000469715402 987369673 /nfs/dbraw/zinc/36/96/73/987369673.db2.gz NCSLZYYUBXPHSZ-WMLDXEAASA-N 1 2 417.466 3.704 20 5 HHBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000445513782 987572464 /nfs/dbraw/zinc/57/24/64/987572464.db2.gz GXNCNELDAFOVQE-UHFFFAOYSA-N 1 2 401.220 3.724 20 5 HHBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000469960779 987581261 /nfs/dbraw/zinc/58/12/61/987581261.db2.gz BSNQYFNAYMILTL-UHFFFAOYSA-N 1 2 409.284 3.669 20 5 HHBDLO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1cccc(OC(F)(F)F)c1 ZINC000470025623 987636604 /nfs/dbraw/zinc/63/66/04/987636604.db2.gz YTKMAYCIDZXHDT-UHFFFAOYSA-N 1 2 409.364 3.515 20 5 HHBDLO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1cccc(OC(F)(F)F)c1 ZINC000470025623 987636609 /nfs/dbraw/zinc/63/66/09/987636609.db2.gz YTKMAYCIDZXHDT-UHFFFAOYSA-N 1 2 409.364 3.515 20 5 HHBDLO Cc1nc([N+](=O)[O-])c(-c2noc(C[NH+](Cc3ccccc3)Cc3ccccc3)n2)n1C ZINC000445620654 987692412 /nfs/dbraw/zinc/69/24/12/987692412.db2.gz KESYTWYNRFGISR-UHFFFAOYSA-N 1 2 418.457 3.889 20 5 HHBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000470366335 988330179 /nfs/dbraw/zinc/33/01/79/988330179.db2.gz WTLJAXAMJJUMCB-HXUWFJFHSA-N 1 2 407.474 3.691 20 5 HHBDLO CCC1(CC)C[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC[S@]1=O ZINC000470547220 988557511 /nfs/dbraw/zinc/55/75/11/988557511.db2.gz QHPVIEFTZIRXBQ-MUUNZHRXSA-N 1 2 406.504 3.987 20 5 HHBDLO CCC1(CC)C[N@@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC[S@]1=O ZINC000470547220 988557519 /nfs/dbraw/zinc/55/75/19/988557519.db2.gz QHPVIEFTZIRXBQ-MUUNZHRXSA-N 1 2 406.504 3.987 20 5 HHBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000464513692 988689569 /nfs/dbraw/zinc/68/95/69/988689569.db2.gz GAZLCBDYVZNGGN-MRXNPFEDSA-N 1 2 421.563 3.670 20 5 HHBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000464513691 988689615 /nfs/dbraw/zinc/68/96/15/988689615.db2.gz GAZLCBDYVZNGGN-INIZCTEOSA-N 1 2 421.563 3.670 20 5 HHBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000464615807 988794059 /nfs/dbraw/zinc/79/40/59/988794059.db2.gz HJLXYJGORABSQC-UHFFFAOYSA-N 1 2 417.465 3.848 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000470911236 988988085 /nfs/dbraw/zinc/98/80/85/988988085.db2.gz RFNIPLNNDYGVGG-SFHVURJKSA-N 1 2 401.438 3.662 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000470911236 988988092 /nfs/dbraw/zinc/98/80/92/988988092.db2.gz RFNIPLNNDYGVGG-SFHVURJKSA-N 1 2 401.438 3.662 20 5 HHBDLO Cc1nc(NC(=O)[C@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)sc1C ZINC000464778140 989005746 /nfs/dbraw/zinc/00/57/46/989005746.db2.gz RCLUIVCZVQUYNV-ZDUSSCGKSA-N 1 2 404.492 3.539 20 5 HHBDLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000471024363 989096396 /nfs/dbraw/zinc/09/63/96/989096396.db2.gz ZVAFKRJWBKBXBR-IBGZPJMESA-N 1 2 407.474 3.961 20 5 HHBDLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000471024363 989096400 /nfs/dbraw/zinc/09/64/00/989096400.db2.gz ZVAFKRJWBKBXBR-IBGZPJMESA-N 1 2 407.474 3.961 20 5 HHBDLO COc1ccc(NC(=O)C[NH2+][C@@H](c2ccc(C)cc2)c2ccccn2)c([N+](=O)[O-])c1 ZINC000471081425 989175869 /nfs/dbraw/zinc/17/58/69/989175869.db2.gz PDWDMTLDJWYUGN-QFIPXVFZSA-N 1 2 406.442 3.625 20 5 HHBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCCc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000466137218 991317847 /nfs/dbraw/zinc/31/78/47/991317847.db2.gz AWLQFNGQEPRABM-IRXDYDNUSA-N 1 2 412.490 3.568 20 5 HHBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000466300395 991552929 /nfs/dbraw/zinc/55/29/29/991552929.db2.gz VELPLSHGOHLGFD-SFHVURJKSA-N 1 2 405.907 3.655 20 5 HHBDLO COCC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000472489493 993491708 /nfs/dbraw/zinc/49/17/08/993491708.db2.gz VEESJZZYQKDUGG-UHFFFAOYSA-N 1 2 408.458 3.848 20 5 HHBDLO COC(=O)COc1ccc(C[NH2+]Cc2csc(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000474345098 995325042 /nfs/dbraw/zinc/32/50/42/995325042.db2.gz FJGTVEHBUCWARO-UHFFFAOYSA-N 1 2 413.455 3.560 20 5 HHBDLO O=C(C[NH+]1CCC(c2cccc(Cl)c2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000483097331 995971835 /nfs/dbraw/zinc/97/18/35/995971835.db2.gz ALWFPEGDLWZETO-UHFFFAOYSA-N 1 2 417.849 3.795 20 5 HHBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)CCO2 ZINC000475292226 996049882 /nfs/dbraw/zinc/04/98/82/996049882.db2.gz SBEFONHPHWDEDO-BTYIYWSLSA-N 1 2 402.422 3.906 20 5 HHBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)CCO2 ZINC000475292226 996049884 /nfs/dbraw/zinc/04/98/84/996049884.db2.gz SBEFONHPHWDEDO-BTYIYWSLSA-N 1 2 402.422 3.906 20 5 HHBDLO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N1Cc2ccccc2C1 ZINC000475501364 996184279 /nfs/dbraw/zinc/18/42/79/996184279.db2.gz GSHXWUYCOZKNHG-CQSZACIVSA-N 1 2 408.483 3.739 20 5 HHBDLO COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1SC ZINC000483461885 996195139 /nfs/dbraw/zinc/19/51/39/996195139.db2.gz DGISZLBGJVLUIT-UHFFFAOYSA-N 1 2 402.407 3.902 20 5 HHBDLO COC(=O)COc1ccc(C[N@H+](C)Cc2ccccc2Br)cc1[N+](=O)[O-] ZINC000475570152 996224482 /nfs/dbraw/zinc/22/44/82/996224482.db2.gz KEFFUGMYBUNZNA-UHFFFAOYSA-N 1 2 423.263 3.541 20 5 HHBDLO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccccc2Br)cc1[N+](=O)[O-] ZINC000475570152 996224486 /nfs/dbraw/zinc/22/44/86/996224486.db2.gz KEFFUGMYBUNZNA-UHFFFAOYSA-N 1 2 423.263 3.541 20 5 HHBDLO C[C@@H]1C[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000475638024 996268467 /nfs/dbraw/zinc/26/84/67/996268467.db2.gz NOHQLBWRRWZZCN-VFNWGFHPSA-N 1 2 402.422 3.906 20 5 HHBDLO C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000475638024 996268471 /nfs/dbraw/zinc/26/84/71/996268471.db2.gz NOHQLBWRRWZZCN-VFNWGFHPSA-N 1 2 402.422 3.906 20 5 HHBDLO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3ccn4cc[nH+]c4c3)cc2[N+](=O)[O-])C1 ZINC000475720338 996322547 /nfs/dbraw/zinc/32/25/47/996322547.db2.gz CCEXZDQVOYEHQN-HZPDHXFCSA-N 1 2 407.474 3.655 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484348413 996720036 /nfs/dbraw/zinc/72/00/36/996720036.db2.gz FBMOXROOSAFDJP-IAQYHMDHSA-N 1 2 403.401 3.841 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484348413 996720041 /nfs/dbraw/zinc/72/00/41/996720041.db2.gz FBMOXROOSAFDJP-IAQYHMDHSA-N 1 2 403.401 3.841 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000485767756 998241912 /nfs/dbraw/zinc/24/19/12/998241912.db2.gz TYXUGDDHZFADOO-INIZCTEOSA-N 1 2 416.909 3.874 20 5 HHBDLO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000478286703 998865669 /nfs/dbraw/zinc/86/56/69/998865669.db2.gz SKKVZHACUZONGH-IBGZPJMESA-N 1 2 409.421 3.727 20 5 HHBDLO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000478286703 998865676 /nfs/dbraw/zinc/86/56/76/998865676.db2.gz SKKVZHACUZONGH-IBGZPJMESA-N 1 2 409.421 3.727 20 5 HHBDLO COc1cc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000478675439 999082903 /nfs/dbraw/zinc/08/29/03/999082903.db2.gz IPIVETHLNPRDSJ-GASCZTMLSA-N 1 2 413.474 3.773 20 5 HHBDLO COc1cc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000478675439 999082905 /nfs/dbraw/zinc/08/29/05/999082905.db2.gz IPIVETHLNPRDSJ-GASCZTMLSA-N 1 2 413.474 3.773 20 5 HHBDLO O=C1[C@@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000488726270 999589699 /nfs/dbraw/zinc/58/96/99/999589699.db2.gz VLVIIFWZMRJRFQ-INIZCTEOSA-N 1 2 424.288 3.541 20 5 HHBDLO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488995985 999667292 /nfs/dbraw/zinc/66/72/92/999667292.db2.gz KAKIADRTSYINNJ-LLVKDONJSA-N 1 2 412.277 3.762 20 5 HHBDLO Cc1c(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000480053302 999703159 /nfs/dbraw/zinc/70/31/59/999703159.db2.gz JTHHRUNUXHEAIG-NHCUHLMSSA-N 1 2 405.458 3.828 20 5 HHBDLO Cc1c(CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000480074290 999710146 /nfs/dbraw/zinc/71/01/46/999710146.db2.gz YPIWXLLWJQHAFB-HZPDHXFCSA-N 1 2 412.490 3.834 20 5 HHBDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490208013 999910835 /nfs/dbraw/zinc/91/08/35/999910835.db2.gz SRJJOIKZEBUUQZ-CQSZACIVSA-N 1 2 403.429 3.585 20 5 HHBDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490208013 999910836 /nfs/dbraw/zinc/91/08/36/999910836.db2.gz SRJJOIKZEBUUQZ-CQSZACIVSA-N 1 2 403.429 3.585 20 5 HHBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc(Br)cc1 ZINC000490818635 1000011400 /nfs/dbraw/zinc/01/14/00/1000011400.db2.gz KQGVJOLOZRNITN-UHFFFAOYSA-N 1 2 404.264 3.960 20 5 HHBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc(Br)cc1 ZINC000490818635 1000011403 /nfs/dbraw/zinc/01/14/03/1000011403.db2.gz KQGVJOLOZRNITN-UHFFFAOYSA-N 1 2 404.264 3.960 20 5 HHBDLO COc1cc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OCC(F)F ZINC000491889651 1000099385 /nfs/dbraw/zinc/09/93/85/1000099385.db2.gz MVUZAAJKDBEDBL-UHFFFAOYSA-N 1 2 410.373 3.608 20 5 HHBDLO COc1cc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OCC(F)F ZINC000491889651 1000099386 /nfs/dbraw/zinc/09/93/86/1000099386.db2.gz MVUZAAJKDBEDBL-UHFFFAOYSA-N 1 2 410.373 3.608 20 5 HHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000492698118 1000139793 /nfs/dbraw/zinc/13/97/93/1000139793.db2.gz CEZBYSCDJZPFSF-CQSZACIVSA-N 1 2 401.488 3.547 20 5 HHBDLO O=C(C[NH+]1CCC2(CC1)OCCc1ccsc12)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000492706062 1000140133 /nfs/dbraw/zinc/14/01/33/1000140133.db2.gz RVLIBXUMEFZICF-UHFFFAOYSA-N 1 2 421.906 3.812 20 5 HHBDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccccc2OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000493046424 1000155315 /nfs/dbraw/zinc/15/53/15/1000155315.db2.gz DEDRQLHOTJLUKR-FQEVSTJZSA-N 1 2 412.490 3.582 20 5 HHBDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCS1 ZINC000494900998 1000721025 /nfs/dbraw/zinc/72/10/25/1000721025.db2.gz CQPKSMFMEQEGDU-SWLSCSKDSA-N 1 2 406.533 3.873 20 5 HHBDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCS1 ZINC000494900998 1000721033 /nfs/dbraw/zinc/72/10/33/1000721033.db2.gz CQPKSMFMEQEGDU-SWLSCSKDSA-N 1 2 406.533 3.873 20 5 HHBDLO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000505408438 1000753071 /nfs/dbraw/zinc/75/30/71/1000753071.db2.gz KNVCNKVTQPTKTG-UHFFFAOYSA-N 1 2 401.426 3.765 20 5 HHBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000505539098 1000887468 /nfs/dbraw/zinc/88/74/68/1000887468.db2.gz FHFVPBHYYQASRH-AWEZNQCLSA-N 1 2 403.866 3.776 20 5 HHBDLO O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000505686951 1000975973 /nfs/dbraw/zinc/97/59/73/1000975973.db2.gz YFMGOXKMQBOJBV-NRFANRHFSA-N 1 2 420.494 3.928 20 5 HHBDLO COC(=O)C1CC[NH+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000505859202 1001065204 /nfs/dbraw/zinc/06/52/04/1001065204.db2.gz RFJNGYOSTAFXBE-UHFFFAOYSA-N 1 2 414.458 3.567 20 5 HHBDLO O=C(NCCCc1c[nH]c2ccc(F)cc12)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000506215543 1001283993 /nfs/dbraw/zinc/28/39/93/1001283993.db2.gz OEMSNIZOXJOFAU-UHFFFAOYSA-N 1 2 407.405 3.764 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497490213 1001397656 /nfs/dbraw/zinc/39/76/56/1001397656.db2.gz WTSOHQMVIOKCMZ-ICSRJNTNSA-N 1 2 416.428 3.623 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497490213 1001397660 /nfs/dbraw/zinc/39/76/60/1001397660.db2.gz WTSOHQMVIOKCMZ-ICSRJNTNSA-N 1 2 416.428 3.623 20 5 HHBDLO Cc1noc(CN2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC2)n1 ZINC000506676850 1001490902 /nfs/dbraw/zinc/49/09/02/1001490902.db2.gz WSKBCWQHOMLWEG-UHFFFAOYSA-N 1 2 417.853 3.517 20 5 HHBDLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000506744315 1001511344 /nfs/dbraw/zinc/51/13/44/1001511344.db2.gz QNGBTXVERYKUHL-KRWDZBQOSA-N 1 2 402.447 3.966 20 5 HHBDLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000506744315 1001511346 /nfs/dbraw/zinc/51/13/46/1001511346.db2.gz QNGBTXVERYKUHL-KRWDZBQOSA-N 1 2 402.447 3.966 20 5 HHBDLO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1Br ZINC000506748966 1001512935 /nfs/dbraw/zinc/51/29/35/1001512935.db2.gz WJVVUTBZKHUJFN-VURMDHGXSA-N 1 2 404.264 3.941 20 5 HHBDLO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1Br ZINC000506748966 1001512939 /nfs/dbraw/zinc/51/29/39/1001512939.db2.gz WJVVUTBZKHUJFN-VURMDHGXSA-N 1 2 404.264 3.941 20 5 HHBDLO CCC[N@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000506790066 1001530945 /nfs/dbraw/zinc/53/09/45/1001530945.db2.gz YJMBGJITALLQRO-KRWDZBQOSA-N 1 2 422.478 3.925 20 5 HHBDLO CCC[N@@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000506790066 1001530948 /nfs/dbraw/zinc/53/09/48/1001530948.db2.gz YJMBGJITALLQRO-KRWDZBQOSA-N 1 2 422.478 3.925 20 5 HHBDLO CCn1cc(C[NH2+][C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cn1 ZINC000507271748 1001955338 /nfs/dbraw/zinc/95/53/38/1001955338.db2.gz HRQUTAQUNFQDNB-IBGZPJMESA-N 1 2 413.865 3.934 20 5 HHBDLO CCn1cc(C[NH2+][C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cn1 ZINC000507271750 1001955519 /nfs/dbraw/zinc/95/55/19/1001955519.db2.gz HRQUTAQUNFQDNB-LJQANCHMSA-N 1 2 413.865 3.934 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@@H]1c1ccc(F)c(F)c1 ZINC000498644997 1002045960 /nfs/dbraw/zinc/04/59/60/1002045960.db2.gz VOHZPVTXWBZXOQ-XLIONFOSSA-N 1 2 412.396 3.596 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@@H]1c1ccc(F)c(F)c1 ZINC000498644997 1002045972 /nfs/dbraw/zinc/04/59/72/1002045972.db2.gz VOHZPVTXWBZXOQ-XLIONFOSSA-N 1 2 412.396 3.596 20 5 HHBDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc2)C1 ZINC000498854769 1002239168 /nfs/dbraw/zinc/23/91/68/1002239168.db2.gz UIHULYPXJGMJFH-ROUUACIJSA-N 1 2 424.284 3.703 20 5 HHBDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc2)C1 ZINC000498854769 1002239176 /nfs/dbraw/zinc/23/91/76/1002239176.db2.gz UIHULYPXJGMJFH-ROUUACIJSA-N 1 2 424.284 3.703 20 5 HHBDLO Cc1nc(C2([NH2+]CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CCCCCC2)no1 ZINC000507692442 1002283955 /nfs/dbraw/zinc/28/39/55/1002283955.db2.gz HSCJLLKVHUSKLW-UHFFFAOYSA-N 1 2 401.467 3.763 20 5 HHBDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000508335020 1002838110 /nfs/dbraw/zinc/83/81/10/1002838110.db2.gz UDKZXVKXBFJZSL-SFHVURJKSA-N 1 2 411.502 3.659 20 5 HHBDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000508335020 1002838118 /nfs/dbraw/zinc/83/81/18/1002838118.db2.gz UDKZXVKXBFJZSL-SFHVURJKSA-N 1 2 411.502 3.659 20 5 HHBDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000508353836 1002854071 /nfs/dbraw/zinc/85/40/71/1002854071.db2.gz GDMGLOXPLNRFQT-UHFFFAOYSA-N 1 2 413.455 3.535 20 5 HHBDLO C[S@@](=O)C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000508676860 1003115131 /nfs/dbraw/zinc/11/51/31/1003115131.db2.gz JSBXBEOPPVBSAS-DNOBIOAJSA-N 1 2 401.513 3.928 20 5 HHBDLO C[S@](=O)C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000508676858 1003115162 /nfs/dbraw/zinc/11/51/62/1003115162.db2.gz JSBXBEOPPVBSAS-CLYVBNDRSA-N 1 2 401.513 3.928 20 5 HHBDLO COc1ccccc1NC(=O)C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000509339297 1003716229 /nfs/dbraw/zinc/71/62/29/1003716229.db2.gz BLMGNNOVXWNVDF-UHFFFAOYSA-N 1 2 405.401 3.732 20 5 HHBDLO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000509341151 1003717147 /nfs/dbraw/zinc/71/71/47/1003717147.db2.gz ICOYMHNBUQQSLV-UHFFFAOYSA-N 1 2 410.808 3.772 20 5 HHBDLO O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000512197349 1004098274 /nfs/dbraw/zinc/09/82/74/1004098274.db2.gz PESADJQJLDJIHD-VQIMIIECSA-N 1 2 406.442 3.678 20 5 HHBDLO CN1C(=O)C[C@@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000510791249 1004854785 /nfs/dbraw/zinc/85/47/85/1004854785.db2.gz LCHWDWCCODUHSP-SJLPKXTDSA-N 1 2 413.783 3.727 20 5 HHBDLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511097798 1005017611 /nfs/dbraw/zinc/01/76/11/1005017611.db2.gz XNQKCFJPEYJVBH-UHFFFAOYSA-N 1 2 421.501 3.819 20 5 HHBDLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511097798 1005017617 /nfs/dbraw/zinc/01/76/17/1005017617.db2.gz XNQKCFJPEYJVBH-UHFFFAOYSA-N 1 2 421.501 3.819 20 5 HHBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000511171021 1005056859 /nfs/dbraw/zinc/05/68/59/1005056859.db2.gz PSARAIULTQTQQZ-SFHVURJKSA-N 1 2 417.469 3.611 20 5 HHBDLO CC[N@H+](Cc1ccncc1)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000502756352 1005203039 /nfs/dbraw/zinc/20/30/39/1005203039.db2.gz OSEGPNVJZXAMOZ-CQSZACIVSA-N 1 2 411.487 3.962 20 5 HHBDLO CC[N@@H+](Cc1ccncc1)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000502756352 1005203046 /nfs/dbraw/zinc/20/30/46/1005203046.db2.gz OSEGPNVJZXAMOZ-CQSZACIVSA-N 1 2 411.487 3.962 20 5 HHBDLO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502853096 1005244550 /nfs/dbraw/zinc/24/45/50/1005244550.db2.gz QRYAZECXHYNVFR-SGTLLEGYSA-N 1 2 407.829 3.516 20 5 HHBDLO C[N@H+]1CC[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502853096 1005244553 /nfs/dbraw/zinc/24/45/53/1005244553.db2.gz QRYAZECXHYNVFR-SGTLLEGYSA-N 1 2 407.829 3.516 20 5 HHBDLO COc1ccc(-c2ccc(CNc3cccc(CN4CCOCC4)[nH+]3)o2)c([N+](=O)[O-])c1 ZINC000503259502 1005378992 /nfs/dbraw/zinc/37/89/92/1005378992.db2.gz LKBWQWZNNRDUEI-UHFFFAOYSA-N 1 2 424.457 3.703 20 5 HHBDLO CCCn1nccc1C1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000503376199 1005402071 /nfs/dbraw/zinc/40/20/71/1005402071.db2.gz JPIMTUSWWNJSCS-UHFFFAOYSA-N 1 2 405.886 3.673 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000503493512 1005436458 /nfs/dbraw/zinc/43/64/58/1005436458.db2.gz NCBZJDHKUNOBST-OAHLLOKOSA-N 1 2 412.833 3.727 20 5 HHBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CC2)c1 ZINC000534248275 1006255240 /nfs/dbraw/zinc/25/52/40/1006255240.db2.gz SGSGSCCUHBGGTC-HNNXBMFYSA-N 1 2 408.458 3.604 20 5 HHBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534599044 1006580929 /nfs/dbraw/zinc/58/09/29/1006580929.db2.gz NZDYSBHYTQXQHA-UHFFFAOYSA-N 1 2 419.441 3.711 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000538396128 1006665389 /nfs/dbraw/zinc/66/53/89/1006665389.db2.gz IBNXUTSZKUVWRK-UHFFFAOYSA-N 1 2 412.490 3.611 20 5 HHBDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538601618 1006872413 /nfs/dbraw/zinc/87/24/13/1006872413.db2.gz UKUYEAGHIKZNBI-QFBILLFUSA-N 1 2 420.872 3.923 20 5 HHBDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538601618 1006872427 /nfs/dbraw/zinc/87/24/27/1006872427.db2.gz UKUYEAGHIKZNBI-QFBILLFUSA-N 1 2 420.872 3.923 20 5 HHBDLO COCC[N@H+](C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000532487501 1006927531 /nfs/dbraw/zinc/92/75/31/1006927531.db2.gz DRNCXRRJUGRDGE-KRWDZBQOSA-N 1 2 422.279 3.615 20 5 HHBDLO COCC[N@@H+](C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000532487501 1006927541 /nfs/dbraw/zinc/92/75/41/1006927541.db2.gz DRNCXRRJUGRDGE-KRWDZBQOSA-N 1 2 422.279 3.615 20 5 HHBDLO COCC[N@H+](C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000532487503 1006927823 /nfs/dbraw/zinc/92/78/23/1006927823.db2.gz DRNCXRRJUGRDGE-QGZVFWFLSA-N 1 2 422.279 3.615 20 5 HHBDLO COCC[N@@H+](C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000532487503 1006927831 /nfs/dbraw/zinc/92/78/31/1006927831.db2.gz DRNCXRRJUGRDGE-QGZVFWFLSA-N 1 2 422.279 3.615 20 5 HHBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000516375840 1007049377 /nfs/dbraw/zinc/04/93/77/1007049377.db2.gz QUHLZJXJDXUGPL-UHFFFAOYSA-N 1 2 407.430 3.689 20 5 HHBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000532647896 1007066996 /nfs/dbraw/zinc/06/69/96/1007066996.db2.gz QQZRREIFZVEYRT-HZPDHXFCSA-N 1 2 405.495 3.674 20 5 HHBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000532647896 1007067011 /nfs/dbraw/zinc/06/70/11/1007067011.db2.gz QQZRREIFZVEYRT-HZPDHXFCSA-N 1 2 405.495 3.674 20 5 HHBDLO O=[N+]([O-])c1ccc(N2CC[NH+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)CC2)cn1 ZINC000535072318 1007091632 /nfs/dbraw/zinc/09/16/32/1007091632.db2.gz ILOXOFSIPXRCFZ-UHFFFAOYSA-N 1 2 421.284 3.895 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000539125409 1007415906 /nfs/dbraw/zinc/41/59/06/1007415906.db2.gz JDYWLSMJTXASHV-IEBWSBKVSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000539125409 1007415909 /nfs/dbraw/zinc/41/59/09/1007415909.db2.gz JDYWLSMJTXASHV-IEBWSBKVSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000539133761 1007428543 /nfs/dbraw/zinc/42/85/43/1007428543.db2.gz SUGPNEZWGVJMAB-FXAWDEMLSA-N 1 2 405.857 3.882 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000539133761 1007428549 /nfs/dbraw/zinc/42/85/49/1007428549.db2.gz SUGPNEZWGVJMAB-FXAWDEMLSA-N 1 2 405.857 3.882 20 5 HHBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000535432406 1007495461 /nfs/dbraw/zinc/49/54/61/1007495461.db2.gz TWQLWJYXOPSMFQ-NHCUHLMSSA-N 1 2 405.458 3.562 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2N2CCCC2)c([N+](=O)[O-])c1 ZINC000533218833 1007543047 /nfs/dbraw/zinc/54/30/47/1007543047.db2.gz IBEXHJAGMPPWJF-UHFFFAOYSA-N 1 2 412.490 3.664 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2N2CCCC2)c([N+](=O)[O-])c1 ZINC000533218833 1007543055 /nfs/dbraw/zinc/54/30/55/1007543055.db2.gz IBEXHJAGMPPWJF-UHFFFAOYSA-N 1 2 412.490 3.664 20 5 HHBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000539372381 1007676841 /nfs/dbraw/zinc/67/68/41/1007676841.db2.gz DKPVEOWMVQKMIU-AWEZNQCLSA-N 1 2 405.857 3.835 20 5 HHBDLO COCC(C)(C)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000535921704 1007943142 /nfs/dbraw/zinc/94/31/42/1007943142.db2.gz FGMJMVCCNLRYDT-UHFFFAOYSA-N 1 2 417.531 3.640 20 5 HHBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000533701191 1008025177 /nfs/dbraw/zinc/02/51/77/1008025177.db2.gz WIFJOPPNKHLSQP-GOSISDBHSA-N 1 2 405.458 3.570 20 5 HHBDLO COc1cc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c([N+](=O)[O-])cc1OC ZINC000536041559 1008074056 /nfs/dbraw/zinc/07/40/56/1008074056.db2.gz HJSSNXSXWBRIJX-UHFFFAOYSA-N 1 2 420.425 3.780 20 5 HHBDLO COc1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000542957783 1008529395 /nfs/dbraw/zinc/52/93/95/1008529395.db2.gz WZPOWHYORHTISH-SFHVURJKSA-N 1 2 409.446 3.980 20 5 HHBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000543152694 1008726507 /nfs/dbraw/zinc/72/65/07/1008726507.db2.gz YYQGDYUJFWAXKT-UHFFFAOYSA-N 1 2 416.890 3.902 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000549293107 1008866725 /nfs/dbraw/zinc/86/67/25/1008866725.db2.gz FCMGRVRINXMXGN-HXUWFJFHSA-N 1 2 408.458 3.978 20 5 HHBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)c1 ZINC000519594179 1008924855 /nfs/dbraw/zinc/92/48/55/1008924855.db2.gz ZNTCVFUGEFWIFV-CQSZACIVSA-N 1 2 400.357 3.689 20 5 HHBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)c1 ZINC000519594179 1008924868 /nfs/dbraw/zinc/92/48/68/1008924868.db2.gz ZNTCVFUGEFWIFV-CQSZACIVSA-N 1 2 400.357 3.689 20 5 HHBDLO Cc1cc(Br)cn2cc(CCNC(=O)c3ccc(C)c([N+](=O)[O-])c3)[nH+]c12 ZINC000546060841 1009084120 /nfs/dbraw/zinc/08/41/20/1009084120.db2.gz QURQOFFPOPNKPX-UHFFFAOYSA-N 1 2 417.263 3.594 20 5 HHBDLO COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)[C@@H]2C ZINC000543786806 1009356209 /nfs/dbraw/zinc/35/62/09/1009356209.db2.gz RWOGMWCYSMUGRJ-LSDHHAIUSA-N 1 2 406.442 3.937 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543863879 1009431109 /nfs/dbraw/zinc/43/11/09/1009431109.db2.gz IHSPMFUQFWLSMX-SJLPKXTDSA-N 1 2 408.380 3.969 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543863879 1009431114 /nfs/dbraw/zinc/43/11/14/1009431114.db2.gz IHSPMFUQFWLSMX-SJLPKXTDSA-N 1 2 408.380 3.969 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543953182 1009553346 /nfs/dbraw/zinc/55/33/46/1009553346.db2.gz AARVMEGPCPTODB-FXAWDEMLSA-N 1 2 407.392 3.506 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543953182 1009553356 /nfs/dbraw/zinc/55/33/56/1009553356.db2.gz AARVMEGPCPTODB-FXAWDEMLSA-N 1 2 407.392 3.506 20 5 HHBDLO C[C@@H](c1nc(-c2ccccc2C[NH+]2CCOCC2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000547008737 1009965140 /nfs/dbraw/zinc/96/51/40/1009965140.db2.gz IKRUEUNDOQLXDF-CQSZACIVSA-N 1 2 412.421 3.768 20 5 HHBDLO CC[C@@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1nccs1 ZINC000544413556 1010031350 /nfs/dbraw/zinc/03/13/50/1010031350.db2.gz FRGAHUPUOHKLDL-CYBMUJFWSA-N 1 2 403.489 3.854 20 5 HHBDLO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000544421041 1010040698 /nfs/dbraw/zinc/04/06/98/1010040698.db2.gz JMHDTDGOOCEQOI-JTQLQIEISA-N 1 2 424.383 3.871 20 5 HHBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000550710387 1010118049 /nfs/dbraw/zinc/11/80/49/1010118049.db2.gz RMKSCDSEIAFQCW-UHFFFAOYSA-N 1 2 407.268 3.683 20 5 HHBDLO CCOc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1Cl ZINC000551340755 1010526158 /nfs/dbraw/zinc/52/61/58/1010526158.db2.gz OWXOVDWTLYZJHC-UHFFFAOYSA-N 1 2 400.822 3.763 20 5 HHBDLO Cn1c[nH+]cc1CC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000548810931 1010735370 /nfs/dbraw/zinc/73/53/70/1010735370.db2.gz OCKCYDOIKBGUOG-UHFFFAOYSA-N 1 2 418.812 3.772 20 5 HHBDLO Cc1cc(Br)cn2cc(CCNC(=O)c3cccc(C)c3[N+](=O)[O-])[nH+]c12 ZINC000545354966 1010747471 /nfs/dbraw/zinc/74/74/71/1010747471.db2.gz WLXQKIKMSOKJSM-UHFFFAOYSA-N 1 2 417.263 3.594 20 5 HHBDLO C[C@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000548936071 1010768842 /nfs/dbraw/zinc/76/88/42/1010768842.db2.gz JJFGIOPOMZQQRR-GFCCVEGCSA-N 1 2 402.455 3.847 20 5 HHBDLO Cc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000522374718 1010965488 /nfs/dbraw/zinc/96/54/88/1010965488.db2.gz LDGGVQXUGRBDBV-UHFFFAOYSA-N 1 2 423.820 3.575 20 5 HHBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000522641722 1011130876 /nfs/dbraw/zinc/13/08/76/1011130876.db2.gz YNJPMXLPZUZBND-UHFFFAOYSA-N 1 2 414.849 3.578 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536124233 1011246397 /nfs/dbraw/zinc/24/63/97/1011246397.db2.gz RNEZCYNRKDNCFG-MOPGFXCFSA-N 1 2 420.872 3.674 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536124233 1011246415 /nfs/dbraw/zinc/24/64/15/1011246415.db2.gz RNEZCYNRKDNCFG-MOPGFXCFSA-N 1 2 420.872 3.674 20 5 HHBDLO Cc1noc(C)c1C[NH+](CCOc1ccccc1[N+](=O)[O-])Cc1c(C)noc1C ZINC000523007420 1011463435 /nfs/dbraw/zinc/46/34/35/1011463435.db2.gz LQLZUHSGGGCAKY-UHFFFAOYSA-N 1 2 400.435 3.886 20 5 HHBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H](C)O1 ZINC000536513625 1011711448 /nfs/dbraw/zinc/71/14/48/1011711448.db2.gz CHTBMPFBQLHMQM-HUUCEWRRSA-N 1 2 408.458 3.938 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541108312 1011754963 /nfs/dbraw/zinc/75/49/63/1011754963.db2.gz GXNZUWZLTXXVSW-PKOBYXMFSA-N 1 2 422.407 3.647 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541108312 1011754970 /nfs/dbraw/zinc/75/49/70/1011754970.db2.gz GXNZUWZLTXXVSW-PKOBYXMFSA-N 1 2 422.407 3.647 20 5 HHBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3c(F)cccc3OC(F)(F)F)C2)nc1 ZINC000551806788 1011965377 /nfs/dbraw/zinc/96/53/77/1011965377.db2.gz UISIFSWEWBQBOP-LLVKDONJSA-N 1 2 400.332 3.714 20 5 HHBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3c(F)cccc3OC(F)(F)F)C2)nc1 ZINC000551806788 1011965387 /nfs/dbraw/zinc/96/53/87/1011965387.db2.gz UISIFSWEWBQBOP-LLVKDONJSA-N 1 2 400.332 3.714 20 5 HHBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000541296540 1011998424 /nfs/dbraw/zinc/99/84/24/1011998424.db2.gz FOSNFNYUSFKKSX-UHFFFAOYSA-N 1 2 422.894 3.519 20 5 HHBDLO C[N@@H+]1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000536850398 1012080913 /nfs/dbraw/zinc/08/09/13/1012080913.db2.gz FRPHLZKUBJTBPQ-FQEVSTJZSA-N 1 2 402.454 3.786 20 5 HHBDLO C[N@H+]1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000536850398 1012080924 /nfs/dbraw/zinc/08/09/24/1012080924.db2.gz FRPHLZKUBJTBPQ-FQEVSTJZSA-N 1 2 402.454 3.786 20 5 HHBDLO CC[C@@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000541636540 1012451629 /nfs/dbraw/zinc/45/16/29/1012451629.db2.gz CGYXMLWVRWEFIY-SNVBAGLBSA-N 1 2 418.397 3.758 20 5 HHBDLO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)ccc2NC1=O ZINC000537155139 1012550347 /nfs/dbraw/zinc/55/03/47/1012550347.db2.gz XBCLMSLQANANMH-SJCJKPOMSA-N 1 2 423.429 3.605 20 5 HHBDLO C[C@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000537161386 1012560445 /nfs/dbraw/zinc/56/04/45/1012560445.db2.gz IQXUUKPNLLNEDN-WFTMENRYSA-N 1 2 400.460 3.794 20 5 HHBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000523954829 1012696585 /nfs/dbraw/zinc/69/65/85/1012696585.db2.gz FTQOOZGNCFEUJR-UHFFFAOYSA-N 1 2 414.849 3.578 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H](CO)c3cccc(Br)c3)co2)cc1 ZINC000541982356 1012856685 /nfs/dbraw/zinc/85/66/85/1012856685.db2.gz CXYLUURBQGBBQQ-QGZVFWFLSA-N 1 2 418.247 3.836 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(O)(C(F)(F)F)CC2)cc1OC ZINC000541986353 1012862548 /nfs/dbraw/zinc/86/25/48/1012862548.db2.gz GUXRFLDRJPXYJQ-ZDUSSCGKSA-N 1 2 420.428 3.918 20 5 HHBDLO O=[N+]([O-])c1ccc(C2(c3nc(-c4cccc(C[NH+]5CCOCC5)c4)no3)CCC2)cc1 ZINC000904497933 1071794293 /nfs/dbraw/zinc/79/42/93/1071794293.db2.gz LBRQVTDFZUSNBG-UHFFFAOYSA-N 1 2 420.469 3.947 20 5 HHBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000568685168 1071804431 /nfs/dbraw/zinc/80/44/31/1071804431.db2.gz ZLTVLNZXJRLKJL-MRXNPFEDSA-N 1 2 423.254 3.886 20 5 HHBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000568685168 1071804449 /nfs/dbraw/zinc/80/44/49/1071804449.db2.gz ZLTVLNZXJRLKJL-MRXNPFEDSA-N 1 2 423.254 3.886 20 5 HHBDLO COc1cccc(C=C2CC[NH+](Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)CC2)c1 ZINC000760401701 1072310851 /nfs/dbraw/zinc/31/08/51/1072310851.db2.gz JUZINNZFZWAWNQ-UHFFFAOYSA-N 1 2 405.458 3.999 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000554871660 1072915627 /nfs/dbraw/zinc/91/56/27/1072915627.db2.gz CBPDIOVYCJVGOZ-HZPDHXFCSA-N 1 2 413.474 3.855 20 5 HHBDLO C[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)c1cn(-c2ccccc2)nn1 ZINC000760712276 1073293180 /nfs/dbraw/zinc/29/31/80/1073293180.db2.gz FMFDBHPDUXWSAD-LBPRGKRZSA-N 1 2 402.252 3.789 20 5 HHBDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590176963 1073664453 /nfs/dbraw/zinc/66/44/53/1073664453.db2.gz RMFJLXSDAVRJOI-UHFFFAOYSA-N 1 2 409.364 3.698 20 5 HHBDLO Cc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000575079169 1075471704 /nfs/dbraw/zinc/47/17/04/1075471704.db2.gz QEAAKQDZOMFTCI-KRWDZBQOSA-N 1 2 421.457 3.505 20 5 HHBDLO Cc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000575079169 1075471706 /nfs/dbraw/zinc/47/17/06/1075471706.db2.gz QEAAKQDZOMFTCI-KRWDZBQOSA-N 1 2 421.457 3.505 20 5 HHBDLO NC(=O)C1CC[NH+](c2ccc(Nc3ccc(Br)cc3[N+](=O)[O-])cc2)CC1 ZINC000301206006 970807839 /nfs/dbraw/zinc/80/78/39/970807839.db2.gz ZBYPPFZUEDZNQD-UHFFFAOYSA-N 1 2 419.279 3.803 20 5 HHBDLO O=c1[nH]cnc2cc(N[C@H]3CCC[N@H+](Cc4c(F)cccc4F)C3)c([N+](=O)[O-])cc12 ZINC000301235758 970824320 /nfs/dbraw/zinc/82/43/20/970824320.db2.gz HPJNGWKFVISNGM-LBPRGKRZSA-N 1 2 415.400 3.598 20 5 HHBDLO O=c1[nH]cnc2cc(N[C@H]3CCC[N@@H+](Cc4c(F)cccc4F)C3)c([N+](=O)[O-])cc12 ZINC000301235758 970824332 /nfs/dbraw/zinc/82/43/32/970824332.db2.gz HPJNGWKFVISNGM-LBPRGKRZSA-N 1 2 415.400 3.598 20 5 HHBDLO CNC(=O)c1ccc(Nc2cccc(C[N@H+](C)Cc3cscn3)c2)c([N+](=O)[O-])c1 ZINC000301267572 970842551 /nfs/dbraw/zinc/84/25/51/970842551.db2.gz PXTLLQXBERQQAE-UHFFFAOYSA-N 1 2 411.487 3.787 20 5 HHBDLO CNC(=O)c1ccc(Nc2cccc(C[N@@H+](C)Cc3cscn3)c2)c([N+](=O)[O-])c1 ZINC000301267572 970842558 /nfs/dbraw/zinc/84/25/58/970842558.db2.gz PXTLLQXBERQQAE-UHFFFAOYSA-N 1 2 411.487 3.787 20 5 HHBDLO Cc1cc(N2CC[NH+]([C@H](C)c3ccc(Br)cc3)CC2)ncc1[N+](=O)[O-] ZINC000301449199 970933644 /nfs/dbraw/zinc/93/36/44/970933644.db2.gz SETPIJXKDSFQND-CQSZACIVSA-N 1 2 405.296 3.944 20 5 HHBDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000301481202 970950036 /nfs/dbraw/zinc/95/00/36/970950036.db2.gz YRCJKTVMOLLXFG-IBGZPJMESA-N 1 2 418.444 3.506 20 5 HHBDLO Cc1nc(N2CC[NH+]([C@@H](C)c3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] ZINC000301660518 971018785 /nfs/dbraw/zinc/01/87/85/971018785.db2.gz MMFTWDARWGHJRD-AWEZNQCLSA-N 1 2 405.296 3.944 20 5 HHBDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000301899413 971104662 /nfs/dbraw/zinc/10/46/62/971104662.db2.gz TUQAJTFWLXAZOR-MSOLQXFVSA-N 1 2 406.826 3.640 20 5 HHBDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000301899413 971104671 /nfs/dbraw/zinc/10/46/71/971104671.db2.gz TUQAJTFWLXAZOR-MSOLQXFVSA-N 1 2 406.826 3.640 20 5 HHBDLO CC1CC[NH+]([C@@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000301925957 971119544 /nfs/dbraw/zinc/11/95/44/971119544.db2.gz HDIGZUDZFSKPMN-KRWDZBQOSA-N 1 2 423.560 3.945 20 5 HHBDLO C[C@H]1C[C@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000301935781 971123939 /nfs/dbraw/zinc/12/39/39/971123939.db2.gz PNFRNXWJKMZHKB-DZGCQCFKSA-N 1 2 409.533 3.525 20 5 HHBDLO C[C@H]1C[C@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000301935781 971123942 /nfs/dbraw/zinc/12/39/42/971123942.db2.gz PNFRNXWJKMZHKB-DZGCQCFKSA-N 1 2 409.533 3.525 20 5 HHBDLO COc1cc(F)c([N+](=O)[O-])c(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000301977487 971139777 /nfs/dbraw/zinc/13/97/77/971139777.db2.gz NECKAKDGYGCZAO-ZWKOTPCHSA-N 1 2 409.845 3.880 20 5 HHBDLO COc1cc(F)c([N+](=O)[O-])c(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000301977487 971139779 /nfs/dbraw/zinc/13/97/79/971139779.db2.gz NECKAKDGYGCZAO-ZWKOTPCHSA-N 1 2 409.845 3.880 20 5 HHBDLO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)[NH+]2CCCC2)cc1 ZINC000302679619 971277974 /nfs/dbraw/zinc/27/79/74/971277974.db2.gz WAXGZJHSWFPLSO-LJQANCHMSA-N 1 2 403.504 3.556 20 5 HHBDLO C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000303666399 971945640 /nfs/dbraw/zinc/94/56/40/971945640.db2.gz FIOFAPNGOTYALL-QWHCGFSZSA-N 1 2 402.405 3.982 20 5 HHBDLO C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000303666399 971945651 /nfs/dbraw/zinc/94/56/51/971945651.db2.gz FIOFAPNGOTYALL-QWHCGFSZSA-N 1 2 402.405 3.982 20 5 HHBDLO C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000303666396 971945699 /nfs/dbraw/zinc/94/56/99/971945699.db2.gz FIOFAPNGOTYALL-OLZOCXBDSA-N 1 2 402.405 3.982 20 5 HHBDLO C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000303666396 971945703 /nfs/dbraw/zinc/94/57/03/971945703.db2.gz FIOFAPNGOTYALL-OLZOCXBDSA-N 1 2 402.405 3.982 20 5 HHBDLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000303723629 971977921 /nfs/dbraw/zinc/97/79/21/971977921.db2.gz BOHNSIOLDFOYPQ-OAHLLOKOSA-N 1 2 400.406 3.695 20 5 HHBDLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000303723629 971977924 /nfs/dbraw/zinc/97/79/24/971977924.db2.gz BOHNSIOLDFOYPQ-OAHLLOKOSA-N 1 2 400.406 3.695 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303725575 971979201 /nfs/dbraw/zinc/97/92/01/971979201.db2.gz XJGJIZZUOOMHNN-UHFFFAOYSA-N 1 2 422.285 3.737 20 5 HHBDLO COc1ccc2cc(C[N@H+](C)CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000542208998 1013153690 /nfs/dbraw/zinc/15/36/90/1013153690.db2.gz CZHUJRCYACZIKA-UHFFFAOYSA-N 1 2 414.483 3.662 20 5 HHBDLO COc1ccc2cc(C[N@@H+](C)CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000542208998 1013153702 /nfs/dbraw/zinc/15/37/02/1013153702.db2.gz CZHUJRCYACZIKA-UHFFFAOYSA-N 1 2 414.483 3.662 20 5 HHBDLO C[N@@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000537614840 1013155845 /nfs/dbraw/zinc/15/58/45/1013155845.db2.gz DQYMASHLFZUASO-HNNXBMFYSA-N 1 2 424.906 3.907 20 5 HHBDLO C[N@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000537614840 1013155853 /nfs/dbraw/zinc/15/58/53/1013155853.db2.gz DQYMASHLFZUASO-HNNXBMFYSA-N 1 2 424.906 3.907 20 5 HHBDLO C[NH+](C)[C@@H](CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])c1cccs1 ZINC000015171310 962676213 /nfs/dbraw/zinc/67/62/13/962676213.db2.gz NHHRWVNNCIPTPP-ZDUSSCGKSA-N 1 2 423.438 3.665 20 5 HHBDLO Cc1c(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000015767419 962859566 /nfs/dbraw/zinc/85/95/66/962859566.db2.gz MMMCGBAGWVPGLY-UHFFFAOYSA-N 1 2 407.392 3.880 20 5 HHBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000542509707 1013454064 /nfs/dbraw/zinc/45/40/64/1013454064.db2.gz BSEOQYCDOYYDEY-MRXNPFEDSA-N 1 2 414.481 3.998 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024662720 964043808 /nfs/dbraw/zinc/04/38/08/964043808.db2.gz LYCZEXXRJQHPQL-CQSZACIVSA-N 1 2 410.430 3.563 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024662720 964043819 /nfs/dbraw/zinc/04/38/19/964043819.db2.gz LYCZEXXRJQHPQL-CQSZACIVSA-N 1 2 410.430 3.563 20 5 HHBDLO O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000542565967 1013507154 /nfs/dbraw/zinc/50/71/54/1013507154.db2.gz OCWGCIHACSVCBV-XLIONFOSSA-N 1 2 410.405 3.570 20 5 HHBDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000553635555 1013512637 /nfs/dbraw/zinc/51/26/37/1013512637.db2.gz HWSZCQAYBWMVCN-UHFFFAOYSA-N 1 2 400.398 3.549 20 5 HHBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000537986297 1013561281 /nfs/dbraw/zinc/56/12/81/1013561281.db2.gz IEVYCXKNOLGMCK-UHFFFAOYSA-N 1 2 417.893 3.995 20 5 HHBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000537986297 1013561289 /nfs/dbraw/zinc/56/12/89/1013561289.db2.gz IEVYCXKNOLGMCK-UHFFFAOYSA-N 1 2 417.893 3.995 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538023275 1013594130 /nfs/dbraw/zinc/59/41/30/1013594130.db2.gz YZCRPRNFNLVGEK-ROUUACIJSA-N 1 2 406.845 3.656 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538023275 1013594139 /nfs/dbraw/zinc/59/41/39/1013594139.db2.gz YZCRPRNFNLVGEK-ROUUACIJSA-N 1 2 406.845 3.656 20 5 HHBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000542684077 1013604955 /nfs/dbraw/zinc/60/49/55/1013604955.db2.gz ZVZNNJBFOZRJQV-RXVVDRJESA-N 1 2 424.432 3.912 20 5 HHBDLO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[NH+]1CCN(c2ccccc2)CC1 ZINC000032723957 966317920 /nfs/dbraw/zinc/31/79/20/966317920.db2.gz MSZUZTBKEXXUEJ-MRXNPFEDSA-N 1 2 424.526 3.750 20 5 HHBDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(Cl)cc1 ZINC000061019745 966352236 /nfs/dbraw/zinc/35/22/36/966352236.db2.gz TYSOEYSPMXSJIC-HZPDHXFCSA-N 1 2 416.909 3.636 20 5 HHBDLO COc1ccc([C@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1OC ZINC000033242469 966403208 /nfs/dbraw/zinc/40/32/08/966403208.db2.gz AQCBAHLSLWEOAO-QGZVFWFLSA-N 1 2 422.441 3.775 20 5 HHBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000041399671 966555688 /nfs/dbraw/zinc/55/56/88/966555688.db2.gz DCVQYKNDFIRFAA-KRWDZBQOSA-N 1 2 406.845 3.658 20 5 HHBDLO CCOc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000046344149 967754745 /nfs/dbraw/zinc/75/47/45/967754745.db2.gz DZGPYOPYNGMSOE-HOTGVXAUSA-N 1 2 413.474 3.855 20 5 HHBDLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000047406683 968178494 /nfs/dbraw/zinc/17/84/94/968178494.db2.gz CZWIXKJXLZYKKS-GOSISDBHSA-N 1 2 410.430 3.999 20 5 HHBDLO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000047406683 968178496 /nfs/dbraw/zinc/17/84/96/968178496.db2.gz CZWIXKJXLZYKKS-GOSISDBHSA-N 1 2 410.430 3.999 20 5 HHBDLO Cc1ccc(Cc2nnc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)s2)cc1 ZINC000078671433 969011966 /nfs/dbraw/zinc/01/19/66/969011966.db2.gz WGXAEDMPVYGPCV-UHFFFAOYSA-N 1 2 420.454 3.784 20 5 HHBDLO CC(=O)N(C)C1CC[NH+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000109197847 969477656 /nfs/dbraw/zinc/47/76/56/969477656.db2.gz HNPQLSQRBJYOJX-JOCHJYFZSA-N 1 2 424.501 3.526 20 5 HHBDLO COc1cc(OC)cc([C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c2nccn2C)c1 ZINC000237362071 970269902 /nfs/dbraw/zinc/26/99/02/970269902.db2.gz CPDYJSPVFBXMGY-HSTAZWAASA-N 1 2 408.458 3.738 20 5 HHBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410272401 973788535 /nfs/dbraw/zinc/78/85/35/973788535.db2.gz YKVYRAGTNLBVTE-OAHLLOKOSA-N 1 2 400.504 3.626 20 5 HHBDLO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410306315 973846074 /nfs/dbraw/zinc/84/60/74/973846074.db2.gz JZNUBCULIVYLEH-AWEZNQCLSA-N 1 2 420.416 3.749 20 5 HHBDLO O=C(NCCCCNc1cccc[nH+]1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426272288 974361365 /nfs/dbraw/zinc/36/13/65/974361365.db2.gz WMZFHDCMHRMEPV-UHFFFAOYSA-N 1 2 411.384 3.700 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000427643678 975222045 /nfs/dbraw/zinc/22/20/45/975222045.db2.gz BIAXZRVUZBJSRN-UHFFFAOYSA-N 1 2 424.482 3.662 20 5 HHBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000428971220 976259413 /nfs/dbraw/zinc/25/94/13/976259413.db2.gz AMPQTPJCVOYKJG-UHFFFAOYSA-N 1 2 407.902 3.671 20 5 HHBDLO COc1ccc([C@@H](CNc2ccnc3c2cccc3[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000432314817 978757660 /nfs/dbraw/zinc/75/76/60/978757660.db2.gz RWZMMWQJPHVJAN-OAQYLSRUSA-N 1 2 408.458 3.637 20 5 HHBDLO C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@@](=O)C1 ZINC000433030959 979047471 /nfs/dbraw/zinc/04/74/71/979047471.db2.gz LZNPGWYRQNNYIY-BJLXPSRBSA-N 1 2 424.526 3.648 20 5 HHBDLO C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@@](=O)C1 ZINC000433030959 979047473 /nfs/dbraw/zinc/04/74/73/979047473.db2.gz LZNPGWYRQNNYIY-BJLXPSRBSA-N 1 2 424.526 3.648 20 5 HHBDLO COc1cc(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000435047781 980594932 /nfs/dbraw/zinc/59/49/32/980594932.db2.gz JDPNQOZSMIENSD-UHFFFAOYSA-N 1 2 402.422 3.846 20 5 HHBDLO O=C([C@@H]1CCCCO1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000435057030 980601781 /nfs/dbraw/zinc/60/17/81/980601781.db2.gz APGJMIGVMJRYPR-IBGZPJMESA-N 1 2 415.515 3.537 20 5 HHBDLO Cc1c(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435322927 980781302 /nfs/dbraw/zinc/78/13/02/980781302.db2.gz IFRNKUXPSBBJEY-LBPRGKRZSA-N 1 2 422.283 3.811 20 5 HHBDLO Cc1c(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cc(Br)cc1[N+](=O)[O-] ZINC000435326705 980785680 /nfs/dbraw/zinc/78/56/80/980785680.db2.gz FIXZEOCSPHYTCB-UHFFFAOYSA-N 1 2 422.283 3.563 20 5 HHBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1C ZINC000436233621 981261645 /nfs/dbraw/zinc/26/16/45/981261645.db2.gz UREPPJHHBXYXJX-UHFFFAOYSA-N 1 2 401.466 3.974 20 5 HHBDLO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436893098 981603864 /nfs/dbraw/zinc/60/38/64/981603864.db2.gz NQPUZKRGOZNJJB-SGTLLEGYSA-N 1 2 407.829 3.516 20 5 HHBDLO C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436893098 981603867 /nfs/dbraw/zinc/60/38/67/981603867.db2.gz NQPUZKRGOZNJJB-SGTLLEGYSA-N 1 2 407.829 3.516 20 5 HHBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000437034328 981705025 /nfs/dbraw/zinc/70/50/25/981705025.db2.gz HRLAOPGZNBNXMO-UHFFFAOYSA-N 1 2 423.517 3.943 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)c1 ZINC000460170150 981942273 /nfs/dbraw/zinc/94/22/73/981942273.db2.gz YKFBHNVPANILFO-UHFFFAOYSA-N 1 2 404.430 3.792 20 5 HHBDLO O=C(C[N@H+](CCC(F)(F)F)CC1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000437504578 982130830 /nfs/dbraw/zinc/13/08/30/982130830.db2.gz MDGCIEOUFGJALS-UHFFFAOYSA-N 1 2 424.217 3.960 20 5 HHBDLO O=C(C[N@@H+](CCC(F)(F)F)CC1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000437504578 982130835 /nfs/dbraw/zinc/13/08/35/982130835.db2.gz MDGCIEOUFGJALS-UHFFFAOYSA-N 1 2 424.217 3.960 20 5 HHBDLO CCn1c2ccccc2[nH+]c1NCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000460672955 982438234 /nfs/dbraw/zinc/43/82/34/982438234.db2.gz STXXNZBPSZMOLQ-UHFFFAOYSA-N 1 2 424.379 4.526 20 5 HHBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000461080269 982776052 /nfs/dbraw/zinc/77/60/52/982776052.db2.gz IRIBCKMDMYZIAF-QGZVFWFLSA-N 1 2 405.857 3.711 20 5 HHBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000461080269 982776056 /nfs/dbraw/zinc/77/60/56/982776056.db2.gz IRIBCKMDMYZIAF-QGZVFWFLSA-N 1 2 405.857 3.711 20 5 HHBDLO O=C([C@H]1CCCS1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000439020070 983214063 /nfs/dbraw/zinc/21/40/63/983214063.db2.gz IZAHWKBIKQXUJM-LJQANCHMSA-N 1 2 417.556 3.863 20 5 HHBDLO O=C(Nc1cccc(Oc2cccnn2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000461612991 983239458 /nfs/dbraw/zinc/23/94/58/983239458.db2.gz PEGDCSZEFGTNRF-UHFFFAOYSA-N 1 2 402.370 3.615 20 5 HHBDLO Cc1ccn(C)c1C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000439412159 983398619 /nfs/dbraw/zinc/39/86/19/983398619.db2.gz POHMSVZJSWVEDK-UHFFFAOYSA-N 1 2 424.526 3.928 20 5 HHBDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000439777740 983534602 /nfs/dbraw/zinc/53/46/02/983534602.db2.gz ABGBMOVILMXHSI-VFNWGFHPSA-N 1 2 414.481 3.810 20 5 HHBDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000439777740 983534609 /nfs/dbraw/zinc/53/46/09/983534609.db2.gz ABGBMOVILMXHSI-VFNWGFHPSA-N 1 2 414.481 3.810 20 5 HHBDLO O=C(C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000441048115 984042788 /nfs/dbraw/zinc/04/27/88/984042788.db2.gz FFMJSOIHERYTLD-QFIPXVFZSA-N 1 2 422.872 3.912 20 5 HHBDLO O=C(C[N@@H+](CCCO)Cc1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000441078969 984058997 /nfs/dbraw/zinc/05/89/97/984058997.db2.gz KUUCNZWQNCJUTR-UHFFFAOYSA-N 1 2 412.273 3.725 20 5 HHBDLO O=C(C[N@H+](CCCO)Cc1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000441078969 984059006 /nfs/dbraw/zinc/05/90/06/984059006.db2.gz KUUCNZWQNCJUTR-UHFFFAOYSA-N 1 2 412.273 3.725 20 5 HHBDLO COc1ccc(OCC[N@@H+]2CCc3c(Br)cccc3C2)c([N+](=O)[O-])c1 ZINC000441385779 984223398 /nfs/dbraw/zinc/22/33/98/984223398.db2.gz OJVWDVPUMCHNBM-UHFFFAOYSA-N 1 2 407.264 3.803 20 5 HHBDLO COc1ccc(OCC[N@H+]2CCc3c(Br)cccc3C2)c([N+](=O)[O-])c1 ZINC000441385779 984223399 /nfs/dbraw/zinc/22/33/99/984223399.db2.gz OJVWDVPUMCHNBM-UHFFFAOYSA-N 1 2 407.264 3.803 20 5 HHBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(C)c1 ZINC000441929095 984546783 /nfs/dbraw/zinc/54/67/83/984546783.db2.gz HGXQLCADODPUCP-LJQANCHMSA-N 1 2 404.430 4.312 20 5 HHBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000462003091 984984019 /nfs/dbraw/zinc/98/40/19/984984019.db2.gz ITATYCFEABHATH-UHFFFAOYSA-N 1 2 405.458 3.714 20 5 HHBDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@H](C)C1 ZINC000442890887 985263763 /nfs/dbraw/zinc/26/37/63/985263763.db2.gz BIDZMBSIHLUHIZ-MRXNPFEDSA-N 1 2 422.485 3.821 20 5 HHBDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@H](C)C1 ZINC000442890887 985263775 /nfs/dbraw/zinc/26/37/75/985263775.db2.gz BIDZMBSIHLUHIZ-MRXNPFEDSA-N 1 2 422.485 3.821 20 5 HHBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443562814 985736680 /nfs/dbraw/zinc/73/66/80/985736680.db2.gz VOFKLMLAVNCKNY-UHFFFAOYSA-N 1 2 405.907 3.515 20 5 HHBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443562814 985736687 /nfs/dbraw/zinc/73/66/87/985736687.db2.gz VOFKLMLAVNCKNY-UHFFFAOYSA-N 1 2 405.907 3.515 20 5 HHBDLO CCOC(=O)c1ccnc(N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000463070231 986026239 /nfs/dbraw/zinc/02/62/39/986026239.db2.gz NUFGRKXMIULNNJ-CQSZACIVSA-N 1 2 418.881 3.703 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463123980 986088251 /nfs/dbraw/zinc/08/82/51/986088251.db2.gz RCUWRVCPXZETOM-UHFFFAOYSA-N 1 2 408.380 3.929 20 5 HHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1sc(Br)cc1[N+](=O)[O-] ZINC000445178025 987261504 /nfs/dbraw/zinc/26/15/04/987261504.db2.gz HPVQQVGSITWVDP-UHFFFAOYSA-N 1 2 411.212 3.996 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)Cc3c[nH+]cn3Cc3ccccc3)co2)cc1 ZINC000445541665 987597578 /nfs/dbraw/zinc/59/75/78/987597578.db2.gz RHLGQBXNDWKDRC-PMERELPUSA-N 1 2 422.466 3.944 20 5 HHBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CC2)c1 ZINC000470126275 988029293 /nfs/dbraw/zinc/02/92/93/988029293.db2.gz YRTIEPLTJXXNRC-AWEZNQCLSA-N 1 2 402.426 3.653 20 5 HHBDLO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)CC2 ZINC000470137264 988042557 /nfs/dbraw/zinc/04/25/57/988042557.db2.gz JTXPGVDUAAWXRC-INIZCTEOSA-N 1 2 419.482 3.709 20 5 HHBDLO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)CC2 ZINC000470137264 988042572 /nfs/dbraw/zinc/04/25/72/988042572.db2.gz JTXPGVDUAAWXRC-INIZCTEOSA-N 1 2 419.482 3.709 20 5 HHBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000470179077 988095817 /nfs/dbraw/zinc/09/58/17/988095817.db2.gz RZBZOXYCVTXCKK-JXAWBTAJSA-N 1 2 422.529 3.871 20 5 HHBDLO CC(C)CCSc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000464319181 988451257 /nfs/dbraw/zinc/45/12/57/988451257.db2.gz ZBQGWECVYUQXER-GOSISDBHSA-N 1 2 421.563 3.670 20 5 HHBDLO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000470639977 988653667 /nfs/dbraw/zinc/65/36/67/988653667.db2.gz WAQDGWYWJNIFDU-SFTDATJTSA-N 1 2 405.458 3.562 20 5 HHBDLO COC(=O)CC[N@H+](Cc1ccc(F)c(F)c1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464694376 988903337 /nfs/dbraw/zinc/90/33/37/988903337.db2.gz VJPHLSLMPXUEMF-UHFFFAOYSA-N 1 2 412.364 3.586 20 5 HHBDLO COC(=O)CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464694376 988903345 /nfs/dbraw/zinc/90/33/45/988903345.db2.gz VJPHLSLMPXUEMF-UHFFFAOYSA-N 1 2 412.364 3.586 20 5 HHBDLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464783063 989012251 /nfs/dbraw/zinc/01/22/51/989012251.db2.gz FNQHZLBZBZMWLK-CYBMUJFWSA-N 1 2 405.401 3.743 20 5 HHBDLO O=C(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000464784847 989014000 /nfs/dbraw/zinc/01/40/00/989014000.db2.gz JAKFGVJDDCHQSD-UHFFFAOYSA-N 1 2 407.829 3.869 20 5 HHBDLO Cc1ccc([C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c2ccccn2)cc1 ZINC000471081241 989175685 /nfs/dbraw/zinc/17/56/85/989175685.db2.gz NEWYXFATVRSSIK-QHCPKHFHSA-N 1 2 402.454 3.567 20 5 HHBDLO COCCC[C@@H](Cc1ccccc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000471330232 989490419 /nfs/dbraw/zinc/49/04/19/989490419.db2.gz RAWXGELUTUWQMV-IBGZPJMESA-N 1 2 408.458 3.548 20 5 HHBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)c(Cl)c1 ZINC000467272990 992594020 /nfs/dbraw/zinc/59/40/20/992594020.db2.gz KJACGZHHHZLAJZ-UHFFFAOYSA-N 1 2 421.832 3.831 20 5 HHBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)c(Cl)c1 ZINC000467272990 992594028 /nfs/dbraw/zinc/59/40/28/992594028.db2.gz KJACGZHHHZLAJZ-UHFFFAOYSA-N 1 2 421.832 3.831 20 5 HHBDLO O=C(Nc1cc(-c2cccc(F)c2F)[nH]n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000473660021 994547516 /nfs/dbraw/zinc/54/75/16/994547516.db2.gz QZVOMXZOHJRVQQ-UHFFFAOYSA-N 1 2 410.340 3.701 20 5 HHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)cc1OC ZINC000483198933 996033066 /nfs/dbraw/zinc/03/30/66/996033066.db2.gz MNLGWWCITMUKHQ-ZHRRBRCNSA-N 1 2 422.522 3.798 20 5 HHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)cc1OC ZINC000483198933 996033069 /nfs/dbraw/zinc/03/30/69/996033069.db2.gz MNLGWWCITMUKHQ-ZHRRBRCNSA-N 1 2 422.522 3.798 20 5 HHBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC(Oc3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC000476185666 996664676 /nfs/dbraw/zinc/66/46/76/996664676.db2.gz BBQKEDGDHKOHOL-HNNXBMFYSA-N 1 2 412.490 3.616 20 5 HHBDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC(Oc3ccc([N+](=O)[O-])cc3)CC1)CC2 ZINC000476185666 996664680 /nfs/dbraw/zinc/66/46/80/996664680.db2.gz BBQKEDGDHKOHOL-HNNXBMFYSA-N 1 2 412.490 3.616 20 5 HHBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000484746537 997090659 /nfs/dbraw/zinc/09/06/59/997090659.db2.gz IGGXAOCJRJVJSI-HXUWFJFHSA-N 1 2 422.510 3.889 20 5 HHBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000484746537 997090672 /nfs/dbraw/zinc/09/06/72/997090672.db2.gz IGGXAOCJRJVJSI-HXUWFJFHSA-N 1 2 422.510 3.889 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485723489 998193811 /nfs/dbraw/zinc/19/38/11/998193811.db2.gz OUQQHBLIDFTHEX-MOPGFXCFSA-N 1 2 403.429 3.712 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485723489 998193815 /nfs/dbraw/zinc/19/38/15/998193815.db2.gz OUQQHBLIDFTHEX-MOPGFXCFSA-N 1 2 403.429 3.712 20 5 HHBDLO COC(=O)c1cnc(Nc2cccc(C[N@H+](C)Cc3cscn3)c2)c([N+](=O)[O-])c1 ZINC000477730488 998462633 /nfs/dbraw/zinc/46/26/33/998462633.db2.gz XAHZOHPDLWHTBJ-UHFFFAOYSA-N 1 2 413.459 3.609 20 5 HHBDLO COC(=O)c1cnc(Nc2cccc(C[N@@H+](C)Cc3cscn3)c2)c([N+](=O)[O-])c1 ZINC000477730488 998462638 /nfs/dbraw/zinc/46/26/38/998462638.db2.gz XAHZOHPDLWHTBJ-UHFFFAOYSA-N 1 2 413.459 3.609 20 5 HHBDLO COC(=O)c1cnc(NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000478270382 998855550 /nfs/dbraw/zinc/85/55/50/998855550.db2.gz ZHQPYMICEKURFL-MRXNPFEDSA-N 1 2 422.844 3.818 20 5 HHBDLO COC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000488150036 999393849 /nfs/dbraw/zinc/39/38/49/999393849.db2.gz ZBTJMRPHVJTLEY-MRXNPFEDSA-N 1 2 400.822 3.551 20 5 HHBDLO CC1(C)C[C@H]([NH2+][C@H](C(N)=O)c2cccc(Br)c2)c2cc([N+](=O)[O-])ccc21 ZINC000479482421 999437161 /nfs/dbraw/zinc/43/71/61/999437161.db2.gz STMNRCSHCOIOLD-IRXDYDNUSA-N 1 2 418.291 3.896 20 5 HHBDLO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488793932 999609983 /nfs/dbraw/zinc/60/99/83/999609983.db2.gz JBHXXDHUVCGCIE-NSHDSACASA-N 1 2 412.277 3.762 20 5 HHBDLO COc1cccc(C2=CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])CC2)c1 ZINC000479966329 999667278 /nfs/dbraw/zinc/66/72/78/999667278.db2.gz OBSXBMROVKPLFV-HNNXBMFYSA-N 1 2 411.458 3.728 20 5 HHBDLO COc1cccc(C2=CC[N@H+]([C@@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])CC2)c1 ZINC000479966329 999667279 /nfs/dbraw/zinc/66/72/79/999667279.db2.gz OBSXBMROVKPLFV-HNNXBMFYSA-N 1 2 411.458 3.728 20 5 HHBDLO Cc1ccc(OCc2nc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)cs2)cc1 ZINC000489042418 999680396 /nfs/dbraw/zinc/68/03/96/999680396.db2.gz NXYFANGFDZCJQG-UHFFFAOYSA-N 1 2 413.503 3.972 20 5 HHBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000480063619 999706452 /nfs/dbraw/zinc/70/64/52/999706452.db2.gz WAPKQOSMQITXNM-KRWDZBQOSA-N 1 2 412.490 3.500 20 5 HHBDLO Cc1c(CNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000480074292 999710071 /nfs/dbraw/zinc/71/00/71/999710071.db2.gz YPIWXLLWJQHAFB-IYBDPMFKSA-N 1 2 412.490 3.834 20 5 HHBDLO Cc1c(CNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000480074292 999710072 /nfs/dbraw/zinc/71/00/72/999710072.db2.gz YPIWXLLWJQHAFB-IYBDPMFKSA-N 1 2 412.490 3.834 20 5 HHBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC2)no1 ZINC000480220240 999748784 /nfs/dbraw/zinc/74/87/84/999748784.db2.gz FELSGJMYBMRVEL-MRXNPFEDSA-N 1 2 417.510 3.954 20 5 HHBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC2)no1 ZINC000480220240 999748785 /nfs/dbraw/zinc/74/87/85/999748785.db2.gz FELSGJMYBMRVEL-MRXNPFEDSA-N 1 2 417.510 3.954 20 5 HHBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)no1 ZINC000480234733 999752625 /nfs/dbraw/zinc/75/26/25/999752625.db2.gz XOPWBXWUKTXFQK-GOSISDBHSA-N 1 2 422.489 3.839 20 5 HHBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)no1 ZINC000480234733 999752626 /nfs/dbraw/zinc/75/26/26/999752626.db2.gz XOPWBXWUKTXFQK-GOSISDBHSA-N 1 2 422.489 3.839 20 5 HHBDLO Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)cc1[N+](=O)[O-] ZINC000493102587 1000157392 /nfs/dbraw/zinc/15/73/92/1000157392.db2.gz CJTHAKFBTPCPLH-UHFFFAOYSA-N 1 2 400.460 3.777 20 5 HHBDLO COc1ccccc1C[NH+]1CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000493129902 1000158856 /nfs/dbraw/zinc/15/88/56/1000158856.db2.gz GRFCGPUHCDOCPC-QGZVFWFLSA-N 1 2 412.490 3.500 20 5 HHBDLO C[N@H+](Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000505361868 1000724472 /nfs/dbraw/zinc/72/44/72/1000724472.db2.gz HZUZAORBNUXLFF-HNNXBMFYSA-N 1 2 410.879 3.659 20 5 HHBDLO C[N@@H+](Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000505361868 1000724475 /nfs/dbraw/zinc/72/44/75/1000724475.db2.gz HZUZAORBNUXLFF-HNNXBMFYSA-N 1 2 410.879 3.659 20 5 HHBDLO COc1ccc([C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C(F)(F)F)cc1 ZINC000505395227 1000745991 /nfs/dbraw/zinc/74/59/91/1000745991.db2.gz JOCUZRUFEPXHJU-QGZVFWFLSA-N 1 2 420.347 3.823 20 5 HHBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CC2)c1 ZINC000505489023 1000814654 /nfs/dbraw/zinc/81/46/54/1000814654.db2.gz YNBOISYQZGJGSQ-INIZCTEOSA-N 1 2 424.501 3.697 20 5 HHBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cc(SC)ccc3[N+](=O)[O-])CC2)c1 ZINC000505494246 1000821881 /nfs/dbraw/zinc/82/18/81/1000821881.db2.gz LVMCLCHKZOFEPS-HNNXBMFYSA-N 1 2 415.515 3.844 20 5 HHBDLO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505501166 1000839847 /nfs/dbraw/zinc/83/98/47/1000839847.db2.gz ZATMKNLEYDYGEJ-JOCHJYFZSA-N 1 2 401.441 3.607 20 5 HHBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)c1 ZINC000505504961 1000842797 /nfs/dbraw/zinc/84/27/97/1000842797.db2.gz CLNVNXNAGDQGJP-HNNXBMFYSA-N 1 2 409.442 3.869 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000497487360 1001394348 /nfs/dbraw/zinc/39/43/48/1001394348.db2.gz ALDQHQFWHVYMJG-IEBWSBKVSA-N 1 2 407.442 3.527 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000497487360 1001394353 /nfs/dbraw/zinc/39/43/53/1001394353.db2.gz ALDQHQFWHVYMJG-IEBWSBKVSA-N 1 2 407.442 3.527 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)[C@H]1c1ccc(F)c(F)c1 ZINC000497488437 1001395847 /nfs/dbraw/zinc/39/58/47/1001395847.db2.gz MVYLZCNDWULILN-VQIMIIECSA-N 1 2 400.385 3.530 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)[C@H]1c1ccc(F)c(F)c1 ZINC000497488437 1001395854 /nfs/dbraw/zinc/39/58/54/1001395854.db2.gz MVYLZCNDWULILN-VQIMIIECSA-N 1 2 400.385 3.530 20 5 HHBDLO CCC[N@H+](Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000506773546 1001523150 /nfs/dbraw/zinc/52/31/50/1001523150.db2.gz QVMFBQKSEURYFV-IBGZPJMESA-N 1 2 417.531 3.762 20 5 HHBDLO CCC[N@@H+](Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000506773546 1001523152 /nfs/dbraw/zinc/52/31/52/1001523152.db2.gz QVMFBQKSEURYFV-IBGZPJMESA-N 1 2 417.531 3.762 20 5 HHBDLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1C ZINC000506791345 1001532114 /nfs/dbraw/zinc/53/21/14/1001532114.db2.gz YLJWAFYDCNHGNR-UHFFFAOYSA-N 1 2 407.474 3.683 20 5 HHBDLO Cc1cccc(NC(=O)C[N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1C ZINC000506791345 1001532119 /nfs/dbraw/zinc/53/21/19/1001532119.db2.gz YLJWAFYDCNHGNR-UHFFFAOYSA-N 1 2 407.474 3.683 20 5 HHBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(Nc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000507260125 1001944939 /nfs/dbraw/zinc/94/49/39/1001944939.db2.gz HPZYLARZMWBTKZ-UHFFFAOYSA-N 1 2 416.453 3.648 20 5 HHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507266917 1001950983 /nfs/dbraw/zinc/95/09/83/1001950983.db2.gz ZEQAQFQPNHJGIG-YJYMSZOUSA-N 1 2 403.866 3.821 20 5 HHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507266917 1001950979 /nfs/dbraw/zinc/95/09/79/1001950979.db2.gz ZEQAQFQPNHJGIG-YJYMSZOUSA-N 1 2 403.866 3.821 20 5 HHBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000507290931 1001974705 /nfs/dbraw/zinc/97/47/05/1001974705.db2.gz KTZZPRHBFPRFIL-OAHLLOKOSA-N 1 2 402.520 3.925 20 5 HHBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000507313108 1001992002 /nfs/dbraw/zinc/99/20/02/1001992002.db2.gz LJLGTHOSHCOHES-UHFFFAOYSA-N 1 2 415.449 3.828 20 5 HHBDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc2)C1 ZINC000498854768 1002238806 /nfs/dbraw/zinc/23/88/06/1002238806.db2.gz UIHULYPXJGMJFH-QZTJIDSGSA-N 1 2 424.284 3.703 20 5 HHBDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc2)C1 ZINC000498854768 1002238817 /nfs/dbraw/zinc/23/88/17/1002238817.db2.gz UIHULYPXJGMJFH-QZTJIDSGSA-N 1 2 424.284 3.703 20 5 HHBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000499040122 1002420283 /nfs/dbraw/zinc/42/02/83/1002420283.db2.gz ROXLCAVNDKTIRX-OAHLLOKOSA-N 1 2 408.433 3.801 20 5 HHBDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](C)C1 ZINC000508333677 1002836878 /nfs/dbraw/zinc/83/68/78/1002836878.db2.gz XVHOTZOABQWECQ-INIZCTEOSA-N 1 2 422.485 3.821 20 5 HHBDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](C)C1 ZINC000508333677 1002836892 /nfs/dbraw/zinc/83/68/92/1002836892.db2.gz XVHOTZOABQWECQ-INIZCTEOSA-N 1 2 422.485 3.821 20 5 HHBDLO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])c3ncccc23)[NH+]2CCOCC2)cc1 ZINC000499656623 1003016923 /nfs/dbraw/zinc/01/69/23/1003016923.db2.gz LJRAUCBWZRRXRC-NRFANRHFSA-N 1 2 408.458 3.637 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000500022689 1003349435 /nfs/dbraw/zinc/34/94/35/1003349435.db2.gz OWJNQBOTEURHKA-CRAIPNDOSA-N 1 2 406.845 3.535 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000500022689 1003349441 /nfs/dbraw/zinc/34/94/41/1003349441.db2.gz OWJNQBOTEURHKA-CRAIPNDOSA-N 1 2 406.845 3.535 20 5 HHBDLO C[C@@H]1CCCN(c2ccc(C(=O)NCc3ccccc3-n3cc[nH+]c3)cc2[N+](=O)[O-])C1 ZINC000509099233 1003551730 /nfs/dbraw/zinc/55/17/30/1003551730.db2.gz WUQGXGRIKBNPTP-QGZVFWFLSA-N 1 2 419.485 3.947 20 5 HHBDLO C[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000500267807 1003591528 /nfs/dbraw/zinc/59/15/28/1003591528.db2.gz PSQWHIGSLNKSAO-MRXNPFEDSA-N 1 2 408.241 3.666 20 5 HHBDLO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000500267807 1003591534 /nfs/dbraw/zinc/59/15/34/1003591534.db2.gz PSQWHIGSLNKSAO-MRXNPFEDSA-N 1 2 408.241 3.666 20 5 HHBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000509464220 1003881559 /nfs/dbraw/zinc/88/15/59/1003881559.db2.gz NOVZBQSFTBUOLU-IAGOWNOFSA-N 1 2 412.490 3.753 20 5 HHBDLO O=[N+]([O-])c1cc(Cl)cc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000500838804 1003993836 /nfs/dbraw/zinc/99/38/36/1003993836.db2.gz BVFLPZHSQHQRBD-KRWDZBQOSA-N 1 2 400.822 3.872 20 5 HHBDLO O=[N+]([O-])c1cc(Cl)cc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000500838804 1003993841 /nfs/dbraw/zinc/99/38/41/1003993841.db2.gz BVFLPZHSQHQRBD-KRWDZBQOSA-N 1 2 400.822 3.872 20 5 HHBDLO O=[N+]([O-])c1cc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)ccc1NC1CC1 ZINC000500849041 1004000582 /nfs/dbraw/zinc/00/05/82/1004000582.db2.gz WTSSXNDVHMGUIY-FQEVSTJZSA-N 1 2 421.457 3.793 20 5 HHBDLO O=[N+]([O-])c1cc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)ccc1NC1CC1 ZINC000500849041 1004000590 /nfs/dbraw/zinc/00/05/90/1004000590.db2.gz WTSSXNDVHMGUIY-FQEVSTJZSA-N 1 2 421.457 3.793 20 5 HHBDLO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509644509 1004002326 /nfs/dbraw/zinc/00/23/26/1004002326.db2.gz SPMUVCZAGOMNLT-GFCCVEGCSA-N 1 2 423.382 3.886 20 5 HHBDLO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509644509 1004002335 /nfs/dbraw/zinc/00/23/35/1004002335.db2.gz SPMUVCZAGOMNLT-GFCCVEGCSA-N 1 2 423.382 3.886 20 5 HHBDLO COc1cc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000512700998 1004503685 /nfs/dbraw/zinc/50/36/85/1004503685.db2.gz GQYXQVLASYKHJT-GOSISDBHSA-N 1 2 404.438 3.932 20 5 HHBDLO COc1cc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000512700998 1004503691 /nfs/dbraw/zinc/50/36/91/1004503691.db2.gz GQYXQVLASYKHJT-GOSISDBHSA-N 1 2 404.438 3.932 20 5 HHBDLO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1Cl ZINC000512770847 1004550031 /nfs/dbraw/zinc/55/00/31/1004550031.db2.gz PEJUDSGFAGEQQW-CQSZACIVSA-N 1 2 417.940 3.671 20 5 HHBDLO COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510604486 1004747612 /nfs/dbraw/zinc/74/76/12/1004747612.db2.gz ZLNXDCQSDNWYCK-HXUWFJFHSA-N 1 2 411.502 3.707 20 5 HHBDLO COc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510604486 1004747620 /nfs/dbraw/zinc/74/76/20/1004747620.db2.gz ZLNXDCQSDNWYCK-HXUWFJFHSA-N 1 2 411.502 3.707 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510612963 1004754440 /nfs/dbraw/zinc/75/44/40/1004754440.db2.gz FPRAGQFYTXBCJP-HXUWFJFHSA-N 1 2 411.502 3.707 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510612963 1004754449 /nfs/dbraw/zinc/75/44/49/1004754449.db2.gz FPRAGQFYTXBCJP-HXUWFJFHSA-N 1 2 411.502 3.707 20 5 HHBDLO COc1cc(C[NH2+]Cc2cc(F)c(F)cc2Br)c([N+](=O)[O-])cc1OC ZINC000513028065 1004766658 /nfs/dbraw/zinc/76/66/58/1004766658.db2.gz ULVPTRNCOPDEKI-UHFFFAOYSA-N 1 2 417.206 3.943 20 5 HHBDLO CCOc1cc(N2CC[NH+](Cc3conc3Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000513366526 1004928345 /nfs/dbraw/zinc/92/83/45/1004928345.db2.gz KTJIHFNCWGSGNZ-UHFFFAOYSA-N 1 2 422.485 3.895 20 5 HHBDLO O=[N+]([O-])c1cc(CN(CCn2cc[nH+]c2)Cc2ccc(Br)o2)cs1 ZINC000510965512 1004956848 /nfs/dbraw/zinc/95/68/48/1004956848.db2.gz FSZGEGOOTYGLFS-UHFFFAOYSA-N 1 2 411.281 3.911 20 5 HHBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000511111379 1005023788 /nfs/dbraw/zinc/02/37/88/1005023788.db2.gz YBJZCPQXNOVDND-UHFFFAOYSA-N 1 2 414.462 3.970 20 5 HHBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000511111379 1005023790 /nfs/dbraw/zinc/02/37/90/1005023790.db2.gz YBJZCPQXNOVDND-UHFFFAOYSA-N 1 2 414.462 3.970 20 5 HHBDLO C[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2sccc2C1 ZINC000513684887 1005081752 /nfs/dbraw/zinc/08/17/52/1005081752.db2.gz VUXJYPAHCCJVJB-YWZLYKJASA-N 1 2 411.531 3.516 20 5 HHBDLO C[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2sccc2C1 ZINC000513684887 1005081757 /nfs/dbraw/zinc/08/17/57/1005081757.db2.gz VUXJYPAHCCJVJB-YWZLYKJASA-N 1 2 411.531 3.516 20 5 HHBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000502744132 1005198546 /nfs/dbraw/zinc/19/85/46/1005198546.db2.gz GVPQNJCVFWFLCS-LJQANCHMSA-N 1 2 411.437 3.513 20 5 HHBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000502744132 1005198549 /nfs/dbraw/zinc/19/85/49/1005198549.db2.gz GVPQNJCVFWFLCS-LJQANCHMSA-N 1 2 411.437 3.513 20 5 HHBDLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000514081619 1005257326 /nfs/dbraw/zinc/25/73/26/1005257326.db2.gz CSECSXSUPSLEEW-QWHCGFSZSA-N 1 2 414.466 3.895 20 5 HHBDLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000514081619 1005257329 /nfs/dbraw/zinc/25/73/29/1005257329.db2.gz CSECSXSUPSLEEW-QWHCGFSZSA-N 1 2 414.466 3.895 20 5 HHBDLO CN(C)[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000514099189 1005264824 /nfs/dbraw/zinc/26/48/24/1005264824.db2.gz MAHVIXRDXPOQQS-WOJBJXKFSA-N 1 2 413.909 3.964 20 5 HHBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514181028 1005300691 /nfs/dbraw/zinc/30/06/91/1005300691.db2.gz YRSHRZJKGAPARB-UHFFFAOYSA-N 1 2 421.400 3.589 20 5 HHBDLO Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000514644223 1006069521 /nfs/dbraw/zinc/06/95/21/1006069521.db2.gz DHVRHHXNXALBMC-LJQANCHMSA-N 1 2 423.922 3.672 20 5 HHBDLO CCCCc1[nH]c2ccc(NS(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2[nH+]1 ZINC000531780672 1006421861 /nfs/dbraw/zinc/42/18/61/1006421861.db2.gz IHSMVDCKUUDBHU-UHFFFAOYSA-N 1 2 404.448 3.623 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000534571692 1006560681 /nfs/dbraw/zinc/56/06/81/1006560681.db2.gz DMUZDOWSZDNJCL-IBGZPJMESA-N 1 2 420.473 3.854 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000534571692 1006560691 /nfs/dbraw/zinc/56/06/91/1006560691.db2.gz DMUZDOWSZDNJCL-IBGZPJMESA-N 1 2 420.473 3.854 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000534654212 1006632617 /nfs/dbraw/zinc/63/26/17/1006632617.db2.gz WNFBTCLOZVUGGQ-GUYCJALGSA-N 1 2 419.865 3.737 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000534654212 1006632621 /nfs/dbraw/zinc/63/26/21/1006632621.db2.gz WNFBTCLOZVUGGQ-GUYCJALGSA-N 1 2 419.865 3.737 20 5 HHBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000538587576 1006855133 /nfs/dbraw/zinc/85/51/33/1006855133.db2.gz MUTLJVXZZJCVOK-UHFFFAOYSA-N 1 2 402.520 3.992 20 5 HHBDLO C[N@H+](CCn1cccn1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000532584097 1007019628 /nfs/dbraw/zinc/01/96/28/1007019628.db2.gz PSMKGJFZFWYQJH-LJQANCHMSA-N 1 2 413.865 3.757 20 5 HHBDLO C[N@@H+](CCn1cccn1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000532584097 1007019641 /nfs/dbraw/zinc/01/96/41/1007019641.db2.gz PSMKGJFZFWYQJH-LJQANCHMSA-N 1 2 413.865 3.757 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2sc(CC)nc2C)c([N+](=O)[O-])c1 ZINC000532585414 1007021684 /nfs/dbraw/zinc/02/16/84/1007021684.db2.gz PGCPXTVZYAIMEQ-ZDUSSCGKSA-N 1 2 406.508 3.952 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2sc(CC)nc2C)c([N+](=O)[O-])c1 ZINC000532585414 1007021694 /nfs/dbraw/zinc/02/16/94/1007021694.db2.gz PGCPXTVZYAIMEQ-ZDUSSCGKSA-N 1 2 406.508 3.952 20 5 HHBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000532589204 1007026450 /nfs/dbraw/zinc/02/64/50/1007026450.db2.gz NKFIGGJECRPAOA-BXUZGUMPSA-N 1 2 400.357 3.749 20 5 HHBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000532589204 1007026462 /nfs/dbraw/zinc/02/64/62/1007026462.db2.gz NKFIGGJECRPAOA-BXUZGUMPSA-N 1 2 400.357 3.749 20 5 HHBDLO COC(=O)C[N@H+](Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000538750919 1007036726 /nfs/dbraw/zinc/03/67/26/1007036726.db2.gz GOKQJDXSWPJWAK-UHFFFAOYSA-N 1 2 413.474 3.517 20 5 HHBDLO COC(=O)C[N@@H+](Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000538750919 1007036737 /nfs/dbraw/zinc/03/67/37/1007036737.db2.gz GOKQJDXSWPJWAK-UHFFFAOYSA-N 1 2 413.474 3.517 20 5 HHBDLO Cc1c(NC(=O)[C@@H](C)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000538783124 1007064308 /nfs/dbraw/zinc/06/43/08/1007064308.db2.gz ACDRXWMMFGJEFA-DLBZAZTESA-N 1 2 414.481 3.748 20 5 HHBDLO Cc1c(NC(=O)[C@H](C)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000538783127 1007065506 /nfs/dbraw/zinc/06/55/06/1007065506.db2.gz ACDRXWMMFGJEFA-SJORKVTESA-N 1 2 414.481 3.748 20 5 HHBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000532647894 1007066724 /nfs/dbraw/zinc/06/67/24/1007066724.db2.gz QQZRREIFZVEYRT-CVEARBPZSA-N 1 2 405.495 3.674 20 5 HHBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000532647894 1007066727 /nfs/dbraw/zinc/06/67/27/1007066727.db2.gz QQZRREIFZVEYRT-CVEARBPZSA-N 1 2 405.495 3.674 20 5 HHBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000532647895 1007067198 /nfs/dbraw/zinc/06/71/98/1007067198.db2.gz QQZRREIFZVEYRT-HOTGVXAUSA-N 1 2 405.495 3.674 20 5 HHBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000532647895 1007067213 /nfs/dbraw/zinc/06/72/13/1007067213.db2.gz QQZRREIFZVEYRT-HOTGVXAUSA-N 1 2 405.495 3.674 20 5 HHBDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc(I)cc1[N+](=O)[O-])CCC2 ZINC000532781429 1007178795 /nfs/dbraw/zinc/17/87/95/1007178795.db2.gz AUASVDOQERGVQM-NSHDSACASA-N 1 2 412.231 3.694 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000532926887 1007299468 /nfs/dbraw/zinc/29/94/68/1007299468.db2.gz DYHBGOJVKYBBNS-APWZRJJASA-N 1 2 424.284 3.739 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000532926887 1007299476 /nfs/dbraw/zinc/29/94/76/1007299476.db2.gz DYHBGOJVKYBBNS-APWZRJJASA-N 1 2 424.284 3.739 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(Nc3cccc(C)c3)CC2)c([N+](=O)[O-])c1 ZINC000533070723 1007433497 /nfs/dbraw/zinc/43/34/97/1007433497.db2.gz KAMRCSWVKVQIDF-MRXNPFEDSA-N 1 2 412.490 3.815 20 5 HHBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccccc1-n1cc[nH+]c1 ZINC000539172016 1007473023 /nfs/dbraw/zinc/47/30/23/1007473023.db2.gz FGOHAIOJXSXLSN-UHFFFAOYSA-N 1 2 400.822 3.519 20 5 HHBDLO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(SC)cc1OC ZINC000533293773 1007608299 /nfs/dbraw/zinc/60/82/99/1007608299.db2.gz TYSMLWUKMHTRHC-CYBMUJFWSA-N 1 2 419.503 3.793 20 5 HHBDLO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(SC)cc1OC ZINC000533293773 1007608306 /nfs/dbraw/zinc/60/83/06/1007608306.db2.gz TYSMLWUKMHTRHC-CYBMUJFWSA-N 1 2 419.503 3.793 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000533348141 1007655576 /nfs/dbraw/zinc/65/55/76/1007655576.db2.gz HCEGJTJRBTVBJL-MRXNPFEDSA-N 1 2 412.490 3.531 20 5 HHBDLO Cn1c2ccc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])cc2[nH+]c1C(C)(C)C ZINC000539597575 1007917530 /nfs/dbraw/zinc/91/75/30/1007917530.db2.gz PNKYLJSOLGJEAU-UHFFFAOYSA-N 1 2 416.503 3.763 20 5 HHBDLO CC(=O)c1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000535967740 1008005942 /nfs/dbraw/zinc/00/59/42/1008005942.db2.gz YPVAJSXVVSHJTB-ZDUSSCGKSA-N 1 2 415.877 3.879 20 5 HHBDLO CC(=O)c1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000535967740 1008005947 /nfs/dbraw/zinc/00/59/47/1008005947.db2.gz YPVAJSXVVSHJTB-ZDUSSCGKSA-N 1 2 415.877 3.879 20 5 HHBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000533727736 1008054333 /nfs/dbraw/zinc/05/43/33/1008054333.db2.gz DMUGVUVICSQRJV-KRWDZBQOSA-N 1 2 405.458 3.570 20 5 HHBDLO Cc1c(NC(=O)CCN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000539882861 1008160371 /nfs/dbraw/zinc/16/03/71/1008160371.db2.gz DSLGFLGUMKJIEM-QGZVFWFLSA-N 1 2 414.481 3.750 20 5 HHBDLO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](CC)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000540225910 1008343616 /nfs/dbraw/zinc/34/36/16/1008343616.db2.gz IRYPMBZQSGVREO-WMLDXEAASA-N 1 2 423.876 3.628 20 5 HHBDLO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](CC)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000540225910 1008343619 /nfs/dbraw/zinc/34/36/19/1008343619.db2.gz IRYPMBZQSGVREO-WMLDXEAASA-N 1 2 423.876 3.628 20 5 HHBDLO COc1cc([C@H](C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc(OC)c1OC ZINC000540325991 1008380925 /nfs/dbraw/zinc/38/09/25/1008380925.db2.gz KNQXAPSJBCHKGW-LBPRGKRZSA-N 1 2 414.418 3.521 20 5 HHBDLO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)ccc2NC1=O ZINC000540458776 1008440318 /nfs/dbraw/zinc/44/03/18/1008440318.db2.gz PPAMGWPLTCWPIE-PXAZEXFGSA-N 1 2 423.429 3.605 20 5 HHBDLO CCCc1n[nH]c(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000518857559 1008448617 /nfs/dbraw/zinc/44/86/17/1008448617.db2.gz ILFHDQDRYGDTTL-OAHLLOKOSA-N 1 2 423.876 3.630 20 5 HHBDLO COc1ccc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000542965358 1008538743 /nfs/dbraw/zinc/53/87/43/1008538743.db2.gz WNEQERDSKRRVQW-XLIONFOSSA-N 1 2 407.430 3.850 20 5 HHBDLO CCOC(=O)c1cc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000543209552 1008780139 /nfs/dbraw/zinc/78/01/39/1008780139.db2.gz WJDOICILTYEWGK-UHFFFAOYSA-N 1 2 420.469 3.773 20 5 HHBDLO CN(c1ccccc1)c1ccc(C[NH2+]Cc2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000520211500 1009344419 /nfs/dbraw/zinc/34/44/19/1009344419.db2.gz SWHAWQSTHVPWCI-UHFFFAOYSA-N 1 2 406.490 3.970 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543863878 1009430854 /nfs/dbraw/zinc/43/08/54/1009430854.db2.gz IHSPMFUQFWLSMX-FUHWJXTLSA-N 1 2 408.380 3.969 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543863878 1009430862 /nfs/dbraw/zinc/43/08/62/1009430862.db2.gz IHSPMFUQFWLSMX-FUHWJXTLSA-N 1 2 408.380 3.969 20 5 HHBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543987788 1009586983 /nfs/dbraw/zinc/58/69/83/1009586983.db2.gz IXHNHCSPGKVLGE-HNNXBMFYSA-N 1 2 419.913 3.964 20 5 HHBDLO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1nc(C(F)(F)F)cs1 ZINC000544459180 1010082271 /nfs/dbraw/zinc/08/22/71/1010082271.db2.gz PKUCJHDEKDFSKE-JTQLQIEISA-N 1 2 418.397 3.758 20 5 HHBDLO O=[N+]([O-])c1cc(I)ccc1NCCCCNc1cccc[nH+]1 ZINC000521078981 1010095022 /nfs/dbraw/zinc/09/50/22/1010095022.db2.gz IRMGMTFOJAZNDL-UHFFFAOYSA-N 1 2 412.231 3.899 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)n2)cc1 ZINC000540592917 1011249603 /nfs/dbraw/zinc/24/96/03/1011249603.db2.gz VRCZPMWJHOEDEL-FQEVSTJZSA-N 1 2 408.414 3.657 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000540621255 1011272361 /nfs/dbraw/zinc/27/23/61/1011272361.db2.gz UTNVFQZFGYLDLC-MRXNPFEDSA-N 1 2 403.504 3.639 20 5 HHBDLO CC(C)(C)c1[nH]c2ccc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])cc2[nH+]1 ZINC000540695101 1011347174 /nfs/dbraw/zinc/34/71/74/1011347174.db2.gz VAXIKTJXGNJUCB-UHFFFAOYSA-N 1 2 402.476 3.753 20 5 HHBDLO CCN(CC)S(=O)(=O)c1ccc(Oc2cccc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC000523087917 1011558297 /nfs/dbraw/zinc/55/82/97/1011558297.db2.gz IMTPWBYMUZGYSR-UHFFFAOYSA-N 1 2 416.459 3.603 20 5 HHBDLO CCc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000523383654 1011860294 /nfs/dbraw/zinc/86/02/94/1011860294.db2.gz SKHICMKWKHLVKK-HNNXBMFYSA-N 1 2 402.520 3.807 20 5 HHBDLO COC(=O)C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CCOCC1 ZINC000536698350 1011867969 /nfs/dbraw/zinc/86/79/69/1011867969.db2.gz WUZGFFMJMXMUBK-UHFFFAOYSA-N 1 2 408.838 3.662 20 5 HHBDLO COC(=O)C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CCOCC1 ZINC000536698350 1011867983 /nfs/dbraw/zinc/86/79/83/1011867983.db2.gz WUZGFFMJMXMUBK-UHFFFAOYSA-N 1 2 408.838 3.662 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000536850884 1012081594 /nfs/dbraw/zinc/08/15/94/1012081594.db2.gz JCWWGRSCLQBIRQ-UHFFFAOYSA-N 1 2 403.442 3.582 20 5 HHBDLO Cn1ccnc1[C@H]([NH2+]CCOc1ncccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000552276349 1012290665 /nfs/dbraw/zinc/29/06/65/1012290665.db2.gz UKETUAMETZBGTE-MRXNPFEDSA-N 1 2 421.379 3.500 20 5 HHBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000552395943 1012407676 /nfs/dbraw/zinc/40/76/76/1012407676.db2.gz WSEZRRZFOMDGKB-JTQLQIEISA-N 1 2 407.268 3.947 20 5 HHBDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)CC2 ZINC000552395943 1012407688 /nfs/dbraw/zinc/40/76/88/1012407688.db2.gz WSEZRRZFOMDGKB-JTQLQIEISA-N 1 2 407.268 3.947 20 5 HHBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000552413406 1012428010 /nfs/dbraw/zinc/42/80/10/1012428010.db2.gz BUZSVNGXDVAVPU-UHFFFAOYSA-N 1 2 402.454 3.615 20 5 HHBDLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000552529650 1012547492 /nfs/dbraw/zinc/54/74/92/1012547492.db2.gz XVDVGUGXVBIUEH-UHFFFAOYSA-N 1 2 402.414 3.923 20 5 HHBDLO Cc1noc([C@H](C)[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000552760013 1012767761 /nfs/dbraw/zinc/76/77/61/1012767761.db2.gz JWVATUVTNRKRIK-AWEZNQCLSA-N 1 2 404.430 3.990 20 5 HHBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000537464675 1012965332 /nfs/dbraw/zinc/96/53/32/1012965332.db2.gz XGYCPKITZDTOGR-HNNXBMFYSA-N 1 2 400.504 3.891 20 5 HHBDLO CC(C)Cc1ccc([C@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC001212067699 1071947071 /nfs/dbraw/zinc/94/70/71/1071947071.db2.gz WQHJRWFKPJTYFX-IBGZPJMESA-N 1 2 423.510 3.514 20 5 HHBDLO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000760865576 1074460093 /nfs/dbraw/zinc/46/00/93/1074460093.db2.gz DSHAMOJQRCOKJJ-UHFFFAOYSA-N 1 2 421.295 3.886 20 5 HHBDLO Cc1cnc(NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)c([N+](=O)[O-])c1 ZINC000301462135 970941044 /nfs/dbraw/zinc/94/10/44/970941044.db2.gz UXSUWVPMIVMGCC-UHFFFAOYSA-N 1 2 422.464 3.771 20 5 HHBDLO CC(C)[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000301925835 971119348 /nfs/dbraw/zinc/11/93/48/971119348.db2.gz LLYSYGAAYVMFSG-QGZVFWFLSA-N 1 2 423.560 3.555 20 5 HHBDLO CC(C)[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000301925835 971119355 /nfs/dbraw/zinc/11/93/55/971119355.db2.gz LLYSYGAAYVMFSG-QGZVFWFLSA-N 1 2 423.560 3.555 20 5 HHBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000302635876 971268550 /nfs/dbraw/zinc/26/85/50/971268550.db2.gz PBRYSGFGXMCKRX-VMPITWQZSA-N 1 2 408.502 3.645 20 5 HHBDLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000302796337 971321856 /nfs/dbraw/zinc/32/18/56/971321856.db2.gz PSWYIVIAHFZYQM-OAHLLOKOSA-N 1 2 421.457 3.714 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(Oc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000303678853 971956908 /nfs/dbraw/zinc/95/69/08/971956908.db2.gz JPZYZIHCFQMQSD-AWEZNQCLSA-N 1 2 417.437 3.613 20 5 HHBDLO O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000303797372 972035110 /nfs/dbraw/zinc/03/51/10/972035110.db2.gz JCDBMLXMBDONER-UHFFFAOYSA-N 1 2 407.411 3.862 20 5 HHBDLO CCO[C@H](C)c1nc(CN2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000537622080 1013169269 /nfs/dbraw/zinc/16/92/69/1013169269.db2.gz OISZWCFKTVGKBB-BQLWYNFJSA-N 1 2 416.547 3.980 20 5 HHBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1 ZINC000537659250 1013218737 /nfs/dbraw/zinc/21/87/37/1013218737.db2.gz KULVMTKHTRNSJO-KRWDZBQOSA-N 1 2 400.422 3.746 20 5 HHBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000537659251 1013219264 /nfs/dbraw/zinc/21/92/64/1013219264.db2.gz KULVMTKHTRNSJO-QGZVFWFLSA-N 1 2 400.422 3.746 20 5 HHBDLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000008319624 961516276 /nfs/dbraw/zinc/51/62/76/961516276.db2.gz OKLKIURVVXMQTB-MRXNPFEDSA-N 1 2 417.849 3.795 20 5 HHBDLO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000008319624 961516288 /nfs/dbraw/zinc/51/62/88/961516288.db2.gz OKLKIURVVXMQTB-MRXNPFEDSA-N 1 2 417.849 3.795 20 5 HHBDLO CSc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1[N+](=O)[O-] ZINC000016103331 962946475 /nfs/dbraw/zinc/94/64/75/962946475.db2.gz CVMKVTAZQBVLMM-UHFFFAOYSA-N 1 2 415.519 3.501 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000542455067 1013402549 /nfs/dbraw/zinc/40/25/49/1013402549.db2.gz ONIWLQVCFUGJDG-CTNGQTDRSA-N 1 2 421.457 3.528 20 5 HHBDLO CCOc1ccc(C[NH+]2CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000017513407 963205479 /nfs/dbraw/zinc/20/54/79/963205479.db2.gz ZWLJKKRJPUKFQU-UHFFFAOYSA-N 1 2 400.504 3.508 20 5 HHBDLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3c3nc4ccccc4n32)CC1 ZINC000021128382 963421004 /nfs/dbraw/zinc/42/10/04/963421004.db2.gz KAGXZWFQWSMYPU-MRXNPFEDSA-N 1 2 419.554 3.680 20 5 HHBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000027477445 964906231 /nfs/dbraw/zinc/90/62/31/964906231.db2.gz POXNZJVAXHLDFZ-MRXNPFEDSA-N 1 2 410.499 3.679 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC000542615114 1013550881 /nfs/dbraw/zinc/55/08/81/1013550881.db2.gz PJLDUDMUMQHFDT-CYBMUJFWSA-N 1 2 417.466 3.714 20 5 HHBDLO COc1ccc(CSCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1[N+](=O)[O-] ZINC000054224071 965433079 /nfs/dbraw/zinc/43/30/79/965433079.db2.gz MLOBELQFTAKGBR-UHFFFAOYSA-N 1 2 416.434 3.800 20 5 HHBDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000029685450 965457566 /nfs/dbraw/zinc/45/75/66/965457566.db2.gz XRXBIYWFDGETKR-HNNXBMFYSA-N 1 2 417.893 3.994 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])c1 ZINC000029825025 965514066 /nfs/dbraw/zinc/51/40/66/965514066.db2.gz IVZWQJVTLASVQD-OAHLLOKOSA-N 1 2 424.457 3.953 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])c1 ZINC000029825025 965514075 /nfs/dbraw/zinc/51/40/75/965514075.db2.gz IVZWQJVTLASVQD-OAHLLOKOSA-N 1 2 424.457 3.953 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538029025 1013600631 /nfs/dbraw/zinc/60/06/31/1013600631.db2.gz NOJRBCPXIDLSAC-QFBILLFUSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538029025 1013600636 /nfs/dbraw/zinc/60/06/36/1013600636.db2.gz NOJRBCPXIDLSAC-QFBILLFUSA-N 1 2 421.856 3.961 20 5 HHBDLO COc1cc(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1SC ZINC000058772085 965890500 /nfs/dbraw/zinc/89/05/00/965890500.db2.gz SUBZWYUDWASNMN-UHFFFAOYSA-N 1 2 412.471 3.783 20 5 HHBDLO C[C@H](c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000542708478 1013622181 /nfs/dbraw/zinc/62/21/81/1013622181.db2.gz ZCNYXWSOYWZVNS-AWEZNQCLSA-N 1 2 412.421 3.768 20 5 HHBDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000060447381 966149045 /nfs/dbraw/zinc/14/90/45/966149045.db2.gz FMFNOBOHUGSRSU-UHFFFAOYSA-N 1 2 408.458 3.923 20 5 HHBDLO COc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(OC)cc1Cl ZINC000032040185 966181222 /nfs/dbraw/zinc/18/12/22/966181222.db2.gz XXKQTOKBQGDBKX-UHFFFAOYSA-N 1 2 402.794 3.703 20 5 HHBDLO CC(C)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000032045269 966182063 /nfs/dbraw/zinc/18/20/63/966182063.db2.gz LMPMQJDRSPBZFK-OAQYLSRUSA-N 1 2 422.441 3.679 20 5 HHBDLO O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032161101 966197168 /nfs/dbraw/zinc/19/71/68/966197168.db2.gz JJJJOONHYGCLRJ-GOSISDBHSA-N 1 2 408.414 3.591 20 5 HHBDLO CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032161638 966197195 /nfs/dbraw/zinc/19/71/95/966197195.db2.gz VREDKIRBLWTESO-UHFFFAOYSA-N 1 2 420.347 3.951 20 5 HHBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000032162075 966197301 /nfs/dbraw/zinc/19/73/01/966197301.db2.gz YAWMAAGWWSOZQJ-CQSZACIVSA-N 1 2 419.441 3.620 20 5 HHBDLO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000061757024 966542402 /nfs/dbraw/zinc/54/24/02/966542402.db2.gz CTHLRZVPLUVIEC-UHFFFAOYSA-N 1 2 419.437 3.964 20 5 HHBDLO COc1ccc(-c2ccc(CNc3ccc[nH+]c3N3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000542781713 1013679249 /nfs/dbraw/zinc/67/92/49/1013679249.db2.gz FWSSSPDBFQMPEM-UHFFFAOYSA-N 1 2 410.430 3.707 20 5 HHBDLO Cc1nc(C2([NH2+]CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CCCCCC2)no1 ZINC000063512306 966880038 /nfs/dbraw/zinc/88/00/38/966880038.db2.gz RCURHTXPKGCDCZ-UHFFFAOYSA-N 1 2 401.467 3.763 20 5 HHBDLO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000554044486 1013771580 /nfs/dbraw/zinc/77/15/80/1013771580.db2.gz RFKRAZRSNBGXRS-WBVHZDCISA-N 1 2 423.876 3.627 20 5 HHBDLO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000554044486 1013771584 /nfs/dbraw/zinc/77/15/84/1013771584.db2.gz RFKRAZRSNBGXRS-WBVHZDCISA-N 1 2 423.876 3.627 20 5 HHBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000098078038 969192293 /nfs/dbraw/zinc/19/22/93/969192293.db2.gz VACNKMMHAOGOEV-OAHLLOKOSA-N 1 2 401.488 3.546 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCc2cc(Br)ccc21 ZINC000109236541 969482950 /nfs/dbraw/zinc/48/29/50/969482950.db2.gz YJZXOCYPQBTWHW-UHFFFAOYSA-N 1 2 413.231 3.746 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000554303615 1013901981 /nfs/dbraw/zinc/90/19/81/1013901981.db2.gz CUWSIDRXIDDZMO-HNNXBMFYSA-N 1 2 412.494 3.558 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000554303615 1013901984 /nfs/dbraw/zinc/90/19/84/1013901984.db2.gz CUWSIDRXIDDZMO-HNNXBMFYSA-N 1 2 412.494 3.558 20 5 HHBDLO COc1ccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1NC(C)=O ZINC000237277535 970253528 /nfs/dbraw/zinc/25/35/28/970253528.db2.gz XVDVFHZVOWEJHB-UHFFFAOYSA-N 1 2 412.471 3.975 20 5 HHBDLO COc1ccc([C@H](CNCc2cc(OC)c(O)cc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000237334805 970264882 /nfs/dbraw/zinc/26/48/82/970264882.db2.gz OQRMAFAIUFOGEM-FQEVSTJZSA-N 1 2 415.490 3.634 20 5 HHBDLO CCn1c(C)nc([N+](=O)[O-])c1Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000554672604 1014007808 /nfs/dbraw/zinc/00/78/08/1014007808.db2.gz XMRAXOGKJPGCFT-NSHDSACASA-N 1 2 419.486 3.613 20 5 HHBDLO COc1ccc([C@@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)[NH+]2CCOCC2)cc1 ZINC000301085219 970740919 /nfs/dbraw/zinc/74/09/19/970740919.db2.gz KFKWOKJYRSLDJX-OAQYLSRUSA-N 1 2 408.458 3.637 20 5 HHBDLO COc1cc(C[NH2+]Cc2cn3ccsc3n2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000409481809 972931778 /nfs/dbraw/zinc/93/17/78/972931778.db2.gz BUFCJEMGNUIFPV-UHFFFAOYSA-N 1 2 416.381 3.544 20 5 HHBDLO CSc1cccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000410309206 973851013 /nfs/dbraw/zinc/85/10/13/973851013.db2.gz RKQUMLBIQVAZQX-CQSZACIVSA-N 1 2 400.504 3.869 20 5 HHBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000425996626 974111040 /nfs/dbraw/zinc/11/10/40/974111040.db2.gz RLALXXRZGVXGOB-LEWJYISDSA-N 1 2 405.458 3.562 20 5 HHBDLO COCC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)Cc1ccnn1C ZINC000426499633 974490005 /nfs/dbraw/zinc/49/00/05/974490005.db2.gz RBSVHELSOZHFKH-UHFFFAOYSA-N 1 2 404.854 3.890 20 5 HHBDLO COCC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)Cc1ccnn1C ZINC000426499633 974490018 /nfs/dbraw/zinc/49/00/18/974490018.db2.gz RBSVHELSOZHFKH-UHFFFAOYSA-N 1 2 404.854 3.890 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000427037860 974847985 /nfs/dbraw/zinc/84/79/85/974847985.db2.gz XVFMOGVSUMCTDI-MJGOQNOKSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000427037860 974847992 /nfs/dbraw/zinc/84/79/92/974847992.db2.gz XVFMOGVSUMCTDI-MJGOQNOKSA-N 1 2 421.856 3.961 20 5 HHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000433044062 979050675 /nfs/dbraw/zinc/05/06/75/979050675.db2.gz HRUJFCNFNKZCMD-OAHLLOKOSA-N 1 2 417.893 3.601 20 5 HHBDLO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433974426 979726780 /nfs/dbraw/zinc/72/67/80/979726780.db2.gz OBYMXQAKXJRMGO-UHFFFAOYSA-N 1 2 423.517 3.748 20 5 HHBDLO Cc1ccc([C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@H](C)S(C)(=O)=O)cc1 ZINC000435888462 981078460 /nfs/dbraw/zinc/07/84/60/981078460.db2.gz NHZDQRPPEMEFMQ-HRAATJIYSA-N 1 2 420.531 3.954 20 5 HHBDLO O=C(Nc1ccc(F)c(Br)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000437202530 981860165 /nfs/dbraw/zinc/86/01/65/981860165.db2.gz OAVIZSVYJDDYOF-UHFFFAOYSA-N 1 2 405.183 3.934 20 5 HHBDLO C[C@@H]1[C@@H](C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)C1(F)F ZINC000460686282 982449573 /nfs/dbraw/zinc/44/95/73/982449573.db2.gz UKIHUEVIXWXZNJ-ACJLOTCBSA-N 1 2 421.469 3.869 20 5 HHBDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000439780457 983536169 /nfs/dbraw/zinc/53/61/69/983536169.db2.gz IWJXMRJHNRHRTP-KBXCAEBGSA-N 1 2 402.520 3.732 20 5 HHBDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000439780457 983536171 /nfs/dbraw/zinc/53/61/71/983536171.db2.gz IWJXMRJHNRHRTP-KBXCAEBGSA-N 1 2 402.520 3.732 20 5 HHBDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000439800038 983543846 /nfs/dbraw/zinc/54/38/46/983543846.db2.gz HWMLHRPKSRRFOQ-QVKFZJNVSA-N 1 2 414.481 3.810 20 5 HHBDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000439800038 983543848 /nfs/dbraw/zinc/54/38/48/983543848.db2.gz HWMLHRPKSRRFOQ-QVKFZJNVSA-N 1 2 414.481 3.810 20 5 HHBDLO COc1cc(C[N@@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000440970295 984004389 /nfs/dbraw/zinc/00/43/89/984004389.db2.gz ZZBBASJBSPICMD-UKRRQHHQSA-N 1 2 400.422 3.779 20 5 HHBDLO COc1cc(C[N@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000440970295 984004392 /nfs/dbraw/zinc/00/43/92/984004392.db2.gz ZZBBASJBSPICMD-UKRRQHHQSA-N 1 2 400.422 3.779 20 5 HHBDLO O=C(C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000441046990 984042000 /nfs/dbraw/zinc/04/20/00/984042000.db2.gz BWXGCBMHKVBSQU-JOCHJYFZSA-N 1 2 422.872 3.912 20 5 HHBDLO O=C(C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000441046992 984042237 /nfs/dbraw/zinc/04/22/37/984042237.db2.gz BWXGCBMHKVBSQU-QFIPXVFZSA-N 1 2 422.872 3.912 20 5 HHBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000441505709 984292587 /nfs/dbraw/zinc/29/25/87/984292587.db2.gz IJDLXDOQDWJEJA-OAQYLSRUSA-N 1 2 422.489 3.561 20 5 HHBDLO C[C@H](NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000443551000 985722387 /nfs/dbraw/zinc/72/23/87/985722387.db2.gz QEKMPQBQOASERS-AWEZNQCLSA-N 1 2 402.882 3.667 20 5 HHBDLO C[C@H](NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000443551000 985722397 /nfs/dbraw/zinc/72/23/97/985722397.db2.gz QEKMPQBQOASERS-AWEZNQCLSA-N 1 2 402.882 3.667 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H](Oc4ccccc4Cl)C3)n2)cc1 ZINC000443650609 985845926 /nfs/dbraw/zinc/84/59/26/985845926.db2.gz IQXLZQDPNMKJNN-OAHLLOKOSA-N 1 2 400.822 3.952 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H](Oc4ccccc4Cl)C3)n2)cc1 ZINC000443650609 985845950 /nfs/dbraw/zinc/84/59/50/985845950.db2.gz IQXLZQDPNMKJNN-OAHLLOKOSA-N 1 2 400.822 3.952 20 5 HHBDLO O=C(C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000463450333 986431497 /nfs/dbraw/zinc/43/14/97/986431497.db2.gz MSSSIJVEPVVELG-NRFANRHFSA-N 1 2 417.893 3.504 20 5 HHBDLO O=C(C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000463450333 986431500 /nfs/dbraw/zinc/43/15/00/986431500.db2.gz MSSSIJVEPVVELG-NRFANRHFSA-N 1 2 417.893 3.504 20 5 HHBDLO CCO[C@@H](C)c1nc(C[N@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cs1 ZINC000444250998 986446158 /nfs/dbraw/zinc/44/61/58/986446158.db2.gz ZBLAHJQHUIBOLF-ZDUSSCGKSA-N 1 2 420.491 3.579 20 5 HHBDLO CCO[C@@H](C)c1nc(C[N@@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cs1 ZINC000444250998 986446168 /nfs/dbraw/zinc/44/61/68/986446168.db2.gz ZBLAHJQHUIBOLF-ZDUSSCGKSA-N 1 2 420.491 3.579 20 5 HHBDLO C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)cc2[N+](=O)[O-])C1 ZINC000469429321 987116466 /nfs/dbraw/zinc/11/64/66/987116466.db2.gz CBNHEZUTHXOXCC-LPHOPBHVSA-N 1 2 410.474 3.520 20 5 HHBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000469452104 987138322 /nfs/dbraw/zinc/13/83/22/987138322.db2.gz JHRWWYVDEBCVAM-UHFFFAOYSA-N 1 2 424.469 3.601 20 5 HHBDLO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cccc(OC(F)(F)F)c1 ZINC000469990289 987605553 /nfs/dbraw/zinc/60/55/53/987605553.db2.gz IIIXCXWJUYOEJO-UHFFFAOYSA-N 1 2 409.364 3.515 20 5 HHBDLO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cccc(OC(F)(F)F)c1 ZINC000469990289 987605555 /nfs/dbraw/zinc/60/55/55/987605555.db2.gz IIIXCXWJUYOEJO-UHFFFAOYSA-N 1 2 409.364 3.515 20 5 HHBDLO Cc1nc(NC(=O)[C@@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)sc1C ZINC000464778139 989005401 /nfs/dbraw/zinc/00/54/01/989005401.db2.gz RCLUIVCZVQUYNV-CYBMUJFWSA-N 1 2 404.492 3.539 20 5 HHBDLO O=C(NCc1cc(Cl)ccc1OC(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000465283677 989640389 /nfs/dbraw/zinc/64/03/89/989640389.db2.gz HZKDKTMTPYHUTD-UHFFFAOYSA-N 1 2 422.775 3.965 20 5 HHBDLO C[N@H+](Cc1csc(Br)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000467191538 992514540 /nfs/dbraw/zinc/51/45/40/992514540.db2.gz PIIUADCYRJAJFA-CQSZACIVSA-N 1 2 410.293 3.656 20 5 HHBDLO C[N@@H+](Cc1csc(Br)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000467191538 992514550 /nfs/dbraw/zinc/51/45/50/992514550.db2.gz PIIUADCYRJAJFA-CQSZACIVSA-N 1 2 410.293 3.656 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000467221105 992544686 /nfs/dbraw/zinc/54/46/86/992544686.db2.gz ZORWCYBVCQUDQW-MSOLQXFVSA-N 1 2 424.835 3.771 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000467221105 992544693 /nfs/dbraw/zinc/54/46/93/992544693.db2.gz ZORWCYBVCQUDQW-MSOLQXFVSA-N 1 2 424.835 3.771 20 5 HHBDLO C[C@H](c1cccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1)[NH+]1CCOCC1 ZINC000467359216 992677628 /nfs/dbraw/zinc/67/76/28/992677628.db2.gz BVCTXQXBLFMFMK-CQSZACIVSA-N 1 2 418.881 3.963 20 5 HHBDLO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000467502637 992785659 /nfs/dbraw/zinc/78/56/59/992785659.db2.gz LJLUROVOCLNAAF-UHFFFAOYSA-N 1 2 411.443 3.635 20 5 HHBDLO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000467502637 992785672 /nfs/dbraw/zinc/78/56/72/992785672.db2.gz LJLUROVOCLNAAF-UHFFFAOYSA-N 1 2 411.443 3.635 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000472456813 993459178 /nfs/dbraw/zinc/45/91/78/993459178.db2.gz SSFOCVMABFYLBK-UHFFFAOYSA-N 1 2 402.398 3.839 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000472456813 993459183 /nfs/dbraw/zinc/45/91/83/993459183.db2.gz SSFOCVMABFYLBK-UHFFFAOYSA-N 1 2 402.398 3.839 20 5 HHBDLO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4ncc(Cl)cc4Cl)CC3)nc2c1 ZINC000481187492 994019661 /nfs/dbraw/zinc/01/96/61/994019661.db2.gz GWXVSANAAACIBQ-UHFFFAOYSA-N 1 2 421.288 3.885 20 5 HHBDLO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](Cc4ncc(Cl)cc4Cl)CC3)nc2c1 ZINC000481187492 994019666 /nfs/dbraw/zinc/01/96/66/994019666.db2.gz GWXVSANAAACIBQ-UHFFFAOYSA-N 1 2 421.288 3.885 20 5 HHBDLO Cc1cc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000473767546 994685881 /nfs/dbraw/zinc/68/58/81/994685881.db2.gz USOJYYBLOWMGTA-MOPGFXCFSA-N 1 2 418.881 3.750 20 5 HHBDLO Cc1cc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000473767546 994685885 /nfs/dbraw/zinc/68/58/85/994685885.db2.gz USOJYYBLOWMGTA-MOPGFXCFSA-N 1 2 418.881 3.750 20 5 HHBDLO O=C(C[NH+]1CCC(c2ccc(Cl)cc2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000481842856 994697709 /nfs/dbraw/zinc/69/77/09/994697709.db2.gz QWIMDETYCKOIIU-UHFFFAOYSA-N 1 2 417.849 3.795 20 5 HHBDLO O=C([C@H]1CCSC1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000474208719 995204272 /nfs/dbraw/zinc/20/42/72/995204272.db2.gz FHOKXAWUZXKLDR-HNNXBMFYSA-N 1 2 417.556 3.721 20 5 HHBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCC(c3cccc(Cl)c3)CC2)cc1 ZINC000483114677 995984526 /nfs/dbraw/zinc/98/45/26/995984526.db2.gz WIQULTLVEJZYTE-UHFFFAOYSA-N 1 2 408.907 3.902 20 5 HHBDLO CC(C)c1ccc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000475426535 996131044 /nfs/dbraw/zinc/13/10/44/996131044.db2.gz BGOXOEUJBNFAGB-KRWDZBQOSA-N 1 2 406.280 3.797 20 5 HHBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)C2 ZINC000476122739 996615012 /nfs/dbraw/zinc/61/50/12/996615012.db2.gz SUYJQBNQFHJVRJ-VLIAUNLRSA-N 1 2 400.504 3.820 20 5 HHBDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)CC2 ZINC000476122739 996615017 /nfs/dbraw/zinc/61/50/17/996615017.db2.gz SUYJQBNQFHJVRJ-VLIAUNLRSA-N 1 2 400.504 3.820 20 5 HHBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)C2 ZINC000476122737 996615144 /nfs/dbraw/zinc/61/51/44/996615144.db2.gz SUYJQBNQFHJVRJ-JLTOFOAXSA-N 1 2 400.504 3.820 20 5 HHBDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)CC2 ZINC000476122737 996615150 /nfs/dbraw/zinc/61/51/50/996615150.db2.gz SUYJQBNQFHJVRJ-JLTOFOAXSA-N 1 2 400.504 3.820 20 5 HHBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000484340103 996714177 /nfs/dbraw/zinc/71/41/77/996714177.db2.gz ZHCLBTSCLGYXRG-UHFFFAOYSA-N 1 2 416.434 3.910 20 5 HHBDLO CC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000484592558 996926311 /nfs/dbraw/zinc/92/63/11/996926311.db2.gz OOGRIYDIGZJIDU-UHFFFAOYSA-N 1 2 408.418 3.563 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000476573036 997070776 /nfs/dbraw/zinc/07/07/76/997070776.db2.gz AJARAHTXAVGHRT-FUHWJXTLSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000476573036 997070793 /nfs/dbraw/zinc/07/07/93/997070793.db2.gz AJARAHTXAVGHRT-FUHWJXTLSA-N 1 2 421.856 3.961 20 5 HHBDLO O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000485616991 998064058 /nfs/dbraw/zinc/06/40/58/998064058.db2.gz YSSMPPVKRXKJTO-OAHLLOKOSA-N 1 2 404.348 3.856 20 5 HHBDLO O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000485736476 998208275 /nfs/dbraw/zinc/20/82/75/998208275.db2.gz IHCWNTQSZDDSKY-FQEVSTJZSA-N 1 2 419.437 3.862 20 5 HHBDLO O=C(c1c(F)cccc1Cl)N1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000477538611 998258069 /nfs/dbraw/zinc/25/80/69/998258069.db2.gz GGSXPWIYNOAVCK-UHFFFAOYSA-N 1 2 421.856 3.614 20 5 HHBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000477629336 998347232 /nfs/dbraw/zinc/34/72/32/998347232.db2.gz SAOPZWNLMSFNMH-UHFFFAOYSA-N 1 2 402.882 3.556 20 5 HHBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000477976067 998693983 /nfs/dbraw/zinc/69/39/83/998693983.db2.gz NKBXJXCPEDBFFM-UHFFFAOYSA-N 1 2 402.414 3.946 20 5 HHBDLO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000486322165 998711903 /nfs/dbraw/zinc/71/19/03/998711903.db2.gz OOLOICGHHWTQMN-UHFFFAOYSA-N 1 2 413.865 3.535 20 5 HHBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000486428795 998762960 /nfs/dbraw/zinc/76/29/60/998762960.db2.gz AKBKIOMBYFECDP-QGZVFWFLSA-N 1 2 406.442 3.537 20 5 HHBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486435300 998766394 /nfs/dbraw/zinc/76/63/94/998766394.db2.gz YZYQDARLXRPUHB-GOSISDBHSA-N 1 2 418.453 3.578 20 5 HHBDLO CC(C)(C)OC(=O)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000478152793 998790764 /nfs/dbraw/zinc/79/07/64/998790764.db2.gz RNRYRNJTGQRNED-LJQANCHMSA-N 1 2 422.441 3.593 20 5 HHBDLO O=C(N[C@H](CO)c1c(Cl)cccc1Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000478443809 998962038 /nfs/dbraw/zinc/96/20/38/998962038.db2.gz INKHUQHPCSZROU-CQSZACIVSA-N 1 2 421.240 3.551 20 5 HHBDLO Cc1ccc(C)c(S(=O)(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000479597496 999494665 /nfs/dbraw/zinc/49/46/65/999494665.db2.gz CNOKZKGFNJSXRP-UHFFFAOYSA-N 1 2 403.504 3.651 20 5 HHBDLO COc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc([N+](=O)[O-])c1C ZINC000479635298 999512740 /nfs/dbraw/zinc/51/27/40/999512740.db2.gz KLUAYQCVNQDBBZ-LBPRGKRZSA-N 1 2 404.492 3.853 20 5 HHBDLO COc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc([N+](=O)[O-])c1C ZINC000479635298 999512743 /nfs/dbraw/zinc/51/27/43/999512743.db2.gz KLUAYQCVNQDBBZ-LBPRGKRZSA-N 1 2 404.492 3.853 20 5 HHBDLO CC[C@@H]1C[N@H+](CCNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CCO1 ZINC000488539931 999522081 /nfs/dbraw/zinc/52/20/81/999522081.db2.gz VBOKRXUEPHOBGT-GOSISDBHSA-N 1 2 414.462 3.619 20 5 HHBDLO CC[C@@H]1C[N@@H+](CCNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CCO1 ZINC000488539931 999522089 /nfs/dbraw/zinc/52/20/89/999522089.db2.gz VBOKRXUEPHOBGT-GOSISDBHSA-N 1 2 414.462 3.619 20 5 HHBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3csc(COc4ccc(F)cc4)n3)CC2)n1 ZINC000488755610 999598026 /nfs/dbraw/zinc/59/80/26/999598026.db2.gz YCKJSDDBFRSMKN-UHFFFAOYSA-N 1 2 417.466 3.803 20 5 HHBDLO Cc1c(NC(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000479956268 999662281 /nfs/dbraw/zinc/66/22/81/999662281.db2.gz BCFUUUGBUIXYNJ-KRWDZBQOSA-N 1 2 412.490 3.658 20 5 HHBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000480063620 999706387 /nfs/dbraw/zinc/70/63/87/999706387.db2.gz WAPKQOSMQITXNM-QGZVFWFLSA-N 1 2 412.490 3.500 20 5 HHBDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)no1 ZINC000480229800 999751134 /nfs/dbraw/zinc/75/11/34/999751134.db2.gz VEOKSYRSOCPOAL-AWEZNQCLSA-N 1 2 413.400 3.796 20 5 HHBDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)no1 ZINC000480229800 999751136 /nfs/dbraw/zinc/75/11/36/999751136.db2.gz VEOKSYRSOCPOAL-AWEZNQCLSA-N 1 2 413.400 3.796 20 5 HHBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489869429 999851867 /nfs/dbraw/zinc/85/18/67/999851867.db2.gz FGOLMFFUSKOGJL-UHFFFAOYSA-N 1 2 419.485 3.756 20 5 HHBDLO COc1cc(CNc2ccc(N3CCCC3)c[nH+]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000492101311 1000109657 /nfs/dbraw/zinc/10/96/57/1000109657.db2.gz UVLYGPHYVAQHDK-UHFFFAOYSA-N 1 2 408.405 3.855 20 5 HHBDLO COc1cc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)ccc1[N+](=O)[O-] ZINC000492996945 1000153173 /nfs/dbraw/zinc/15/31/73/1000153173.db2.gz XGVZIPWLWJBZEC-IBGZPJMESA-N 1 2 411.458 3.532 20 5 HHBDLO COc1cc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)ccc1[N+](=O)[O-] ZINC000492996945 1000153176 /nfs/dbraw/zinc/15/31/76/1000153176.db2.gz XGVZIPWLWJBZEC-IBGZPJMESA-N 1 2 411.458 3.532 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494232882 1000376436 /nfs/dbraw/zinc/37/64/36/1000376436.db2.gz DJCYKNIFUVRABD-UHFFFAOYSA-N 1 2 423.395 3.608 20 5 HHBDLO O=[N+]([O-])c1ccc2oc(-c3nc(-c4cccc(C[NH+]5CCOCC5)c4)no3)cc2c1 ZINC000504812322 1000380806 /nfs/dbraw/zinc/38/08/06/1000380806.db2.gz YKZVPBYOOHDZOQ-UHFFFAOYSA-N 1 2 406.398 3.890 20 5 HHBDLO O=C(Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000505232104 1000634904 /nfs/dbraw/zinc/63/49/04/1000634904.db2.gz SULSFGLPKUIGJQ-RTWAWAEBSA-N 1 2 422.441 3.715 20 5 HHBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC2)c1 ZINC000505546705 1000892488 /nfs/dbraw/zinc/89/24/88/1000892488.db2.gz IRGGMDNKPSQMTO-HNNXBMFYSA-N 1 2 408.458 3.604 20 5 HHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505883957 1001079486 /nfs/dbraw/zinc/07/94/86/1001079486.db2.gz FEKGEUOKQVVKKA-CABCVRRESA-N 1 2 403.866 3.976 20 5 HHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505883957 1001079491 /nfs/dbraw/zinc/07/94/91/1001079491.db2.gz FEKGEUOKQVVKKA-CABCVRRESA-N 1 2 403.866 3.976 20 5 HHBDLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000506753399 1001514272 /nfs/dbraw/zinc/51/42/72/1001514272.db2.gz QWCJWRVYEWHPGD-IBGZPJMESA-N 1 2 414.458 3.583 20 5 HHBDLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000506753399 1001514279 /nfs/dbraw/zinc/51/42/79/1001514279.db2.gz QWCJWRVYEWHPGD-IBGZPJMESA-N 1 2 414.458 3.583 20 5 HHBDLO C[N@@H+]1CC[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000507092235 1001802274 /nfs/dbraw/zinc/80/22/74/1001802274.db2.gz ZYLHFXMLXNLPAZ-KZULUSFZSA-N 1 2 407.829 3.516 20 5 HHBDLO C[N@H+]1CC[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000507092235 1001802283 /nfs/dbraw/zinc/80/22/83/1001802283.db2.gz ZYLHFXMLXNLPAZ-KZULUSFZSA-N 1 2 407.829 3.516 20 5 HHBDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000507354592 1002017868 /nfs/dbraw/zinc/01/78/68/1002017868.db2.gz BGUQBHNZTXWMKR-RTBURBONSA-N 1 2 405.401 3.532 20 5 HHBDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000507354592 1002017882 /nfs/dbraw/zinc/01/78/82/1002017882.db2.gz BGUQBHNZTXWMKR-RTBURBONSA-N 1 2 405.401 3.532 20 5 HHBDLO COc1cccc(C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]2CCCO2)c1 ZINC000512083680 1004010129 /nfs/dbraw/zinc/01/01/29/1004010129.db2.gz LDOCPIBEXWHKPX-IBGZPJMESA-N 1 2 416.474 3.802 20 5 HHBDLO COc1cccc(C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]2CCCO2)c1 ZINC000512083680 1004010130 /nfs/dbraw/zinc/01/01/30/1004010130.db2.gz LDOCPIBEXWHKPX-IBGZPJMESA-N 1 2 416.474 3.802 20 5 HHBDLO Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C2)c1 ZINC000501223012 1004292186 /nfs/dbraw/zinc/29/21/86/1004292186.db2.gz QOEBWRYXTLLPGA-OAQYLSRUSA-N 1 2 412.396 3.939 20 5 HHBDLO CCNc1ccc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000501478837 1004451846 /nfs/dbraw/zinc/45/18/46/1004451846.db2.gz LVHWMBMKDNKQJL-IYBDPMFKSA-N 1 2 412.490 3.888 20 5 HHBDLO CCNc1ccc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000501478837 1004451856 /nfs/dbraw/zinc/45/18/56/1004451856.db2.gz LVHWMBMKDNKQJL-IYBDPMFKSA-N 1 2 412.490 3.888 20 5 HHBDLO COc1cccc([C@H]2[C@@H](NCc3c(F)cc([N+](=O)[O-])cc3F)CC[N@@H+]2C2CC2)c1 ZINC000510642120 1004773595 /nfs/dbraw/zinc/77/35/95/1004773595.db2.gz YTWYOXYHBMJEDK-SFTDATJTSA-N 1 2 403.429 3.949 20 5 HHBDLO COc1cccc([C@H]2[C@@H](NCc3c(F)cc([N+](=O)[O-])cc3F)CC[N@H+]2C2CC2)c1 ZINC000510642120 1004773600 /nfs/dbraw/zinc/77/36/00/1004773600.db2.gz YTWYOXYHBMJEDK-SFTDATJTSA-N 1 2 403.429 3.949 20 5 HHBDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000513150944 1004833115 /nfs/dbraw/zinc/83/31/15/1004833115.db2.gz ULCLHHMXJDSDNV-UHFFFAOYSA-N 1 2 402.447 3.566 20 5 HHBDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000513150944 1004833118 /nfs/dbraw/zinc/83/31/18/1004833118.db2.gz ULCLHHMXJDSDNV-UHFFFAOYSA-N 1 2 402.447 3.566 20 5 HHBDLO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000501971126 1004838210 /nfs/dbraw/zinc/83/82/10/1004838210.db2.gz HVPBZVKFPUVSOJ-SFHVURJKSA-N 1 2 408.462 3.878 20 5 HHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000502344326 1005024106 /nfs/dbraw/zinc/02/41/06/1005024106.db2.gz UFPMSLGSSQJTSJ-FUHWJXTLSA-N 1 2 415.515 3.513 20 5 HHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000502344326 1005024110 /nfs/dbraw/zinc/02/41/10/1005024110.db2.gz UFPMSLGSSQJTSJ-FUHWJXTLSA-N 1 2 415.515 3.513 20 5 HHBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000511124098 1005031260 /nfs/dbraw/zinc/03/12/60/1005031260.db2.gz LNEAUORMHGROSX-UHFFFAOYSA-N 1 2 410.499 3.656 20 5 HHBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000511124098 1005031264 /nfs/dbraw/zinc/03/12/64/1005031264.db2.gz LNEAUORMHGROSX-UHFFFAOYSA-N 1 2 410.499 3.656 20 5 HHBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000513577198 1005032712 /nfs/dbraw/zinc/03/27/12/1005032712.db2.gz JHJSNXUPENTWFW-UHFFFAOYSA-N 1 2 403.508 3.744 20 5 HHBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000502732902 1005194745 /nfs/dbraw/zinc/19/47/45/1005194745.db2.gz PAEVKDNJOTUUAA-HNNXBMFYSA-N 1 2 411.437 3.663 20 5 HHBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000502815985 1005229167 /nfs/dbraw/zinc/22/91/67/1005229167.db2.gz QXMBMQJKEASNNK-UHFFFAOYSA-N 1 2 419.485 3.712 20 5 HHBDLO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1 ZINC000514091207 1005261316 /nfs/dbraw/zinc/26/13/16/1005261316.db2.gz YHARSJOFYFWQEU-GFCCVEGCSA-N 1 2 407.854 3.724 20 5 HHBDLO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1 ZINC000514091207 1005261321 /nfs/dbraw/zinc/26/13/21/1005261321.db2.gz YHARSJOFYFWQEU-GFCCVEGCSA-N 1 2 407.854 3.724 20 5 HHBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000534392098 1006366250 /nfs/dbraw/zinc/36/62/50/1006366250.db2.gz MXSOMUBVHUTZKO-FUHWJXTLSA-N 1 2 407.829 3.571 20 5 HHBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000534392098 1006366259 /nfs/dbraw/zinc/36/62/59/1006366259.db2.gz MXSOMUBVHUTZKO-FUHWJXTLSA-N 1 2 407.829 3.571 20 5 HHBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000534392099 1006366597 /nfs/dbraw/zinc/36/65/97/1006366597.db2.gz MXSOMUBVHUTZKO-SJLPKXTDSA-N 1 2 407.829 3.571 20 5 HHBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000534392099 1006366606 /nfs/dbraw/zinc/36/66/06/1006366606.db2.gz MXSOMUBVHUTZKO-SJLPKXTDSA-N 1 2 407.829 3.571 20 5 HHBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C[C@@H](C)O1 ZINC000534568224 1006558869 /nfs/dbraw/zinc/55/88/69/1006558869.db2.gz IEAXUZXKFPOYBO-IAGOWNOFSA-N 1 2 424.501 3.794 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c1 ZINC000538400020 1006668541 /nfs/dbraw/zinc/66/85/41/1006668541.db2.gz FMMGVTHGMGLBQX-OAHLLOKOSA-N 1 2 418.519 3.999 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c1 ZINC000538400020 1006668545 /nfs/dbraw/zinc/66/85/45/1006668545.db2.gz FMMGVTHGMGLBQX-OAHLLOKOSA-N 1 2 418.519 3.999 20 5 HHBDLO CC[N@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)[C@H](C)CS(=O)(=O)CC ZINC000538740217 1007024326 /nfs/dbraw/zinc/02/43/26/1007024326.db2.gz UXVHPBKIAGAKJI-CQSZACIVSA-N 1 2 410.492 3.509 20 5 HHBDLO CC[N@@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)[C@H](C)CS(=O)(=O)CC ZINC000538740217 1007024340 /nfs/dbraw/zinc/02/43/40/1007024340.db2.gz UXVHPBKIAGAKJI-CQSZACIVSA-N 1 2 410.492 3.509 20 5 HHBDLO COc1cc(NC(=O)C[N@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000538789917 1007073238 /nfs/dbraw/zinc/07/32/38/1007073238.db2.gz CMJXAOHNZYHWPU-UHFFFAOYSA-N 1 2 401.463 3.806 20 5 HHBDLO COc1cc(NC(=O)C[N@@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000538789917 1007073250 /nfs/dbraw/zinc/07/32/50/1007073250.db2.gz CMJXAOHNZYHWPU-UHFFFAOYSA-N 1 2 401.463 3.806 20 5 HHBDLO CC(C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1cccnc1 ZINC000539001142 1007298972 /nfs/dbraw/zinc/29/89/72/1007298972.db2.gz DYWSPYFZWQFTBM-UHFFFAOYSA-N 1 2 407.268 3.601 20 5 HHBDLO CC(C)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1cccnc1 ZINC000539001142 1007298980 /nfs/dbraw/zinc/29/89/80/1007298980.db2.gz DYWSPYFZWQFTBM-UHFFFAOYSA-N 1 2 407.268 3.601 20 5 HHBDLO C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000533071235 1007433483 /nfs/dbraw/zinc/43/34/83/1007433483.db2.gz NJLFWWXRNUGRCR-AWEZNQCLSA-N 1 2 405.401 3.715 20 5 HHBDLO CSc1ccc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000517133494 1007447955 /nfs/dbraw/zinc/44/79/55/1007447955.db2.gz IQCBXQDXKHQAOM-CQSZACIVSA-N 1 2 401.488 3.962 20 5 HHBDLO COc1ccc(C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)cc1[N+](=O)[O-] ZINC000533166122 1007504212 /nfs/dbraw/zinc/50/42/12/1007504212.db2.gz OVFKNBSANZFKQE-UHFFFAOYSA-N 1 2 408.245 3.781 20 5 HHBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533173756 1007516298 /nfs/dbraw/zinc/51/62/98/1007516298.db2.gz PIDHSAUZJZOFKQ-HKUYNNGSSA-N 1 2 420.872 3.974 20 5 HHBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533173756 1007516308 /nfs/dbraw/zinc/51/63/08/1007516308.db2.gz PIDHSAUZJZOFKQ-HKUYNNGSSA-N 1 2 420.872 3.974 20 5 HHBDLO Cc1ccc(OC2CC[NH+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC2)cc1C ZINC000533251637 1007570705 /nfs/dbraw/zinc/57/07/05/1007570705.db2.gz GPKBGHOHNYNFNS-UHFFFAOYSA-N 1 2 409.486 3.644 20 5 HHBDLO COc1ccc(C[N@H+](Cc2ccccc2)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000533353281 1007660742 /nfs/dbraw/zinc/66/07/42/1007660742.db2.gz KBFFXYXHSSYECH-UHFFFAOYSA-N 1 2 405.454 3.905 20 5 HHBDLO COc1ccc(C[N@@H+](Cc2ccccc2)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000533353281 1007660747 /nfs/dbraw/zinc/66/07/47/1007660747.db2.gz KBFFXYXHSSYECH-UHFFFAOYSA-N 1 2 405.454 3.905 20 5 HHBDLO O=C(C[NH+]1CCC(OCCc2ccccc2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000533434202 1007747046 /nfs/dbraw/zinc/74/70/46/1007747046.db2.gz ARARUKMSDHCEQD-UHFFFAOYSA-N 1 2 417.893 3.910 20 5 HHBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000533727737 1008054478 /nfs/dbraw/zinc/05/44/78/1008054478.db2.gz DMUGVUVICSQRJV-QGZVFWFLSA-N 1 2 405.458 3.570 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000539809043 1008108377 /nfs/dbraw/zinc/10/83/77/1008108377.db2.gz AJHTZBFCYUJMDC-QGZVFWFLSA-N 1 2 407.474 3.832 20 5 HHBDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000539827330 1008121618 /nfs/dbraw/zinc/12/16/18/1008121618.db2.gz QPPKXVSSFFKPMG-HZPDHXFCSA-N 1 2 405.520 3.616 20 5 HHBDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000539827330 1008121624 /nfs/dbraw/zinc/12/16/24/1008121624.db2.gz QPPKXVSSFFKPMG-HZPDHXFCSA-N 1 2 405.520 3.616 20 5 HHBDLO Cc1c(NC(=O)CCN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000539882860 1008160307 /nfs/dbraw/zinc/16/03/07/1008160307.db2.gz DSLGFLGUMKJIEM-KRWDZBQOSA-N 1 2 414.481 3.750 20 5 HHBDLO C[C@H](c1cccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1)[NH+]1CCOCC1 ZINC000533941101 1008221305 /nfs/dbraw/zinc/22/13/05/1008221305.db2.gz FRIYLVMFCNJIHS-OAHLLOKOSA-N 1 2 408.458 3.651 20 5 HHBDLO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(N2CCCC2=O)c1 ZINC000540409165 1008420724 /nfs/dbraw/zinc/42/07/24/1008420724.db2.gz ZBSJBGOVURXLEW-AWEZNQCLSA-N 1 2 407.430 3.622 20 5 HHBDLO Cc1ccc([C@H](C)[NH2+]Cc2csc(-c3c(C)c(C)nn(C)c3=O)n2)cc1[N+](=O)[O-] ZINC000540478572 1008447886 /nfs/dbraw/zinc/44/78/86/1008447886.db2.gz MRNHNNKVRFKBDZ-AWEZNQCLSA-N 1 2 413.503 3.588 20 5 HHBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1C ZINC000540560938 1008482057 /nfs/dbraw/zinc/48/20/57/1008482057.db2.gz HZOJHDXKNCMXAN-UHFFFAOYSA-N 1 2 406.442 3.949 20 5 HHBDLO COc1ccc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000542965353 1008539102 /nfs/dbraw/zinc/53/91/02/1008539102.db2.gz WNEQERDSKRRVQW-FXAWDEMLSA-N 1 2 407.430 3.850 20 5 HHBDLO C[C@@H](c1nnc(Sc2ncc([N+](=O)[O-])cn2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000545484323 1008589280 /nfs/dbraw/zinc/58/92/80/1008589280.db2.gz RERDSJPMGWALLF-AWEZNQCLSA-N 1 2 411.491 3.664 20 5 HHBDLO COc1cc(Cc2noc(/C=C/c3ccc(-n4cc[nH+]c4)cc3)n2)ccc1[N+](=O)[O-] ZINC000545779570 1008865909 /nfs/dbraw/zinc/86/59/09/1008865909.db2.gz JXRPEJAAUFESOL-WEVVVXLNSA-N 1 2 403.398 3.933 20 5 HHBDLO CCCOc1cccc2c(N3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)cc[nH+]c12 ZINC000549696613 1009326392 /nfs/dbraw/zinc/32/63/92/1009326392.db2.gz GBOIRJNEHRYLQQ-UHFFFAOYSA-N 1 2 420.469 3.894 20 5 HHBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000520348925 1009484759 /nfs/dbraw/zinc/48/47/59/1009484759.db2.gz IDIHOEQZGHJWLZ-INIZCTEOSA-N 1 2 421.856 3.547 20 5 HHBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000520348925 1009484765 /nfs/dbraw/zinc/48/47/65/1009484765.db2.gz IDIHOEQZGHJWLZ-INIZCTEOSA-N 1 2 421.856 3.547 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)n2)c1 ZINC000543913628 1009502585 /nfs/dbraw/zinc/50/25/85/1009502585.db2.gz CMHIAZSDCKAVGV-CQSZACIVSA-N 1 2 422.367 3.697 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)n2)c1 ZINC000543913628 1009502597 /nfs/dbraw/zinc/50/25/97/1009502597.db2.gz CMHIAZSDCKAVGV-CQSZACIVSA-N 1 2 422.367 3.697 20 5 HHBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000521142515 1010169654 /nfs/dbraw/zinc/16/96/54/1010169654.db2.gz CGEIRIKNBQTRIF-UHFFFAOYSA-N 1 2 405.817 3.645 20 5 HHBDLO O=[N+]([O-])c1cccc(-n2ccc(-c3nc(-c4cccc(Cn5cc[nH+]c5)c4)no3)n2)c1 ZINC000544966111 1010525709 /nfs/dbraw/zinc/52/57/09/1010525709.db2.gz KMUJAFCSCJFPSO-UHFFFAOYSA-N 1 2 413.397 3.742 20 5 HHBDLO O=[N+]([O-])c1ccc2c(c1)[nH]cc2-c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000521910672 1010703990 /nfs/dbraw/zinc/70/39/90/1010703990.db2.gz ITFALTSUOFMRGG-UHFFFAOYSA-N 1 2 405.414 3.625 20 5 HHBDLO Cc1ccc(NC(=O)[C@@H]([NH2+]C(C)(C)c2cnn(C)c2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000545293677 1010718449 /nfs/dbraw/zinc/71/84/49/1010718449.db2.gz ZOOYVGMEFOYNNK-FQEVSTJZSA-N 1 2 407.474 3.841 20 5 HHBDLO COc1cccc2c1ncc(C)c2NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000551655723 1010723047 /nfs/dbraw/zinc/72/30/47/1010723047.db2.gz XRYZXDQIESUAMG-UHFFFAOYSA-N 1 2 403.398 3.898 20 5 HHBDLO C[C@@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000548936072 1010769074 /nfs/dbraw/zinc/76/90/74/1010769074.db2.gz JJFGIOPOMZQQRR-LBPRGKRZSA-N 1 2 402.455 3.847 20 5 HHBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1cccc(-n2cc[nH+]c2)c1 ZINC000522638583 1011128691 /nfs/dbraw/zinc/12/86/91/1011128691.db2.gz WVQIYWHYMYESRW-UHFFFAOYSA-N 1 2 400.822 3.519 20 5 HHBDLO COCCn1ccc2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cc21 ZINC000536150211 1011274481 /nfs/dbraw/zinc/27/44/81/1011274481.db2.gz KKLQYRPDILETRB-UHFFFAOYSA-N 1 2 405.414 3.634 20 5 HHBDLO CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000536402338 1011612011 /nfs/dbraw/zinc/61/20/11/1011612011.db2.gz VVBSYTRWTQQFBN-SFHVURJKSA-N 1 2 422.441 3.547 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)n2)cc1 ZINC000541130090 1011788305 /nfs/dbraw/zinc/78/83/05/1011788305.db2.gz XXYLDQAWIMTALD-AWEZNQCLSA-N 1 2 422.367 3.697 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)n2)cc1 ZINC000541130090 1011788321 /nfs/dbraw/zinc/78/83/21/1011788321.db2.gz XXYLDQAWIMTALD-AWEZNQCLSA-N 1 2 422.367 3.697 20 5 HHBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(SC)ccc3[N+](=O)[O-])CC2)s1 ZINC000523398535 1011877964 /nfs/dbraw/zinc/87/79/64/1011877964.db2.gz WXQOBJYMUJRPAV-UHFFFAOYSA-N 1 2 405.545 3.899 20 5 HHBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1OC ZINC000541236826 1011913953 /nfs/dbraw/zinc/91/39/53/1011913953.db2.gz GTDLYWVQMPJSPN-UHFFFAOYSA-N 1 2 416.478 3.531 20 5 HHBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cc1Br ZINC000523506521 1012029707 /nfs/dbraw/zinc/02/97/07/1012029707.db2.gz WMBDGOMMIHIUOB-UHFFFAOYSA-N 1 2 415.247 3.532 20 5 HHBDLO CN(C)c1cc(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1 ZINC000552044841 1012064808 /nfs/dbraw/zinc/06/48/08/1012064808.db2.gz PLASRSIPMOBDCE-JOCHJYFZSA-N 1 2 416.485 3.822 20 5 HHBDLO COc1ccc2ccccc2c1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000552414768 1012430623 /nfs/dbraw/zinc/43/06/23/1012430623.db2.gz BTWZEEMHRIABJZ-UHFFFAOYSA-N 1 2 405.454 3.715 20 5 HHBDLO Cc1ccc([C@H](C)[NH2+]Cc2nnnn2-c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000537176284 1012584090 /nfs/dbraw/zinc/58/40/90/1012584090.db2.gz ZJXDDSVCDNUQJQ-LBPRGKRZSA-N 1 2 406.368 3.749 20 5 HHBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3ccc(OC)c([N+](=O)[O-])c3)CC2)c1 ZINC000542034733 1012933987 /nfs/dbraw/zinc/93/39/87/1012933987.db2.gz LSVINWULCPKMFG-HNNXBMFYSA-N 1 2 414.462 3.523 20 5 HHBDLO COc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3OC(F)F)CC2)cc(OC)c1 ZINC000760550046 1072571360 /nfs/dbraw/zinc/57/13/60/1072571360.db2.gz LPNIFZKRKYCCLZ-UHFFFAOYSA-N 1 2 423.416 3.536 20 5 HHBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000574147050 1075165417 /nfs/dbraw/zinc/16/54/17/1075165417.db2.gz IDTRBMBTMMFZHD-UHFFFAOYSA-N 1 2 409.552 3.670 20 5 HHBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000574147050 1075165420 /nfs/dbraw/zinc/16/54/20/1075165420.db2.gz IDTRBMBTMMFZHD-UHFFFAOYSA-N 1 2 409.552 3.670 20 5 HHBDLO O=[N+]([O-])c1c(Cl)ccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164666623 719494268 /nfs/dbraw/zinc/49/42/68/719494268.db2.gz DYALTGRSFRNDOX-UHFFFAOYSA-N 1 2 420.872 3.654 20 5 HHBDLO O=[N+]([O-])c1c(Cl)ccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164666623 719494276 /nfs/dbraw/zinc/49/42/76/719494276.db2.gz DYALTGRSFRNDOX-UHFFFAOYSA-N 1 2 420.872 3.654 20 5 HHBDLO O=[N+]([O-])c1cc(Cl)cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164671171 719504602 /nfs/dbraw/zinc/50/46/02/719504602.db2.gz BXKLCGFAZLHPOC-UHFFFAOYSA-N 1 2 420.872 3.654 20 5 HHBDLO O=[N+]([O-])c1cc(Cl)cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164671171 719504618 /nfs/dbraw/zinc/50/46/18/719504618.db2.gz BXKLCGFAZLHPOC-UHFFFAOYSA-N 1 2 420.872 3.654 20 5 HHBDLO Cc1nc(N2CC[NH+]([C@H](C)c3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] ZINC000301660519 971018503 /nfs/dbraw/zinc/01/85/03/971018503.db2.gz MMFTWDARWGHJRD-CQSZACIVSA-N 1 2 405.296 3.944 20 5 HHBDLO O=c1c(Cl)c(NCc2ccccc2-n2cc[nH+]c2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000302517120 971248829 /nfs/dbraw/zinc/24/88/29/971248829.db2.gz AGRLRWYEOMTUIG-UHFFFAOYSA-N 1 2 422.832 3.592 20 5 HHBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cc[nH+]c4c(Br)cccc34)C2)nc1 ZINC000302686138 971279840 /nfs/dbraw/zinc/27/98/40/971279840.db2.gz AKVHJGVCWJOSNH-LBPRGKRZSA-N 1 2 414.263 3.991 20 5 HHBDLO O=[N+]([O-])c1cccc(F)c1N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000553152421 1013111931 /nfs/dbraw/zinc/11/19/31/1013111931.db2.gz QBIZEZVWSSYSQV-UHFFFAOYSA-N 1 2 403.845 3.747 20 5 HHBDLO O=[N+]([O-])c1cccc(F)c1N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000553152421 1013111937 /nfs/dbraw/zinc/11/19/37/1013111937.db2.gz QBIZEZVWSSYSQV-UHFFFAOYSA-N 1 2 403.845 3.747 20 5 HHBDLO CC(=O)N1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000537626086 1013176345 /nfs/dbraw/zinc/17/63/45/1013176345.db2.gz DKDLZLUSOGOVNO-KRWDZBQOSA-N 1 2 419.485 3.500 20 5 HHBDLO CC(=O)N1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000537626086 1013176353 /nfs/dbraw/zinc/17/63/53/1013176353.db2.gz DKDLZLUSOGOVNO-KRWDZBQOSA-N 1 2 419.485 3.500 20 5 HHBDLO COc1ccccc1COC1CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000537684774 1013247225 /nfs/dbraw/zinc/24/72/25/1013247225.db2.gz YGYATIUWRVUBLL-UHFFFAOYSA-N 1 2 413.474 3.532 20 5 HHBDLO Cc1nn(Cc2ccc(C(=O)Nc3ccc4[nH]c(C)[nH+]c4c3)cc2)c(C)c1[N+](=O)[O-] ZINC000010896388 961941289 /nfs/dbraw/zinc/94/12/89/961941289.db2.gz KDMWYCLAGUOUFQ-UHFFFAOYSA-N 1 2 404.430 3.893 20 5 HHBDLO CNc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] ZINC000015768123 962860042 /nfs/dbraw/zinc/86/00/42/962860042.db2.gz ZKLKVWUWHPBLLN-UHFFFAOYSA-N 1 2 422.407 3.613 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000017307827 963182892 /nfs/dbraw/zinc/18/28/92/963182892.db2.gz NXFCOCASSMVZJJ-INIZCTEOSA-N 1 2 419.503 3.675 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000017307827 963182904 /nfs/dbraw/zinc/18/29/04/963182904.db2.gz NXFCOCASSMVZJJ-INIZCTEOSA-N 1 2 419.503 3.675 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCOc1ccc(Br)cc1 ZINC000025392324 964261644 /nfs/dbraw/zinc/26/16/44/964261644.db2.gz LCPSIDWLPOZPOZ-UHFFFAOYSA-N 1 2 422.279 3.615 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000025392324 964261653 /nfs/dbraw/zinc/26/16/53/964261653.db2.gz LCPSIDWLPOZPOZ-UHFFFAOYSA-N 1 2 422.279 3.615 20 5 HHBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000028416490 965098479 /nfs/dbraw/zinc/09/84/79/965098479.db2.gz ZJYIQVSSOMSQSS-SFHVURJKSA-N 1 2 405.857 3.883 20 5 HHBDLO C[C@H](C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000542647609 1013579423 /nfs/dbraw/zinc/57/94/23/1013579423.db2.gz LSLJZNVRUJNGGC-HNNXBMFYSA-N 1 2 400.454 3.929 20 5 HHBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000055417511 965852031 /nfs/dbraw/zinc/85/20/31/965852031.db2.gz JWNLLICBFAZKHG-IAGOWNOFSA-N 1 2 413.474 3.612 20 5 HHBDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000060447468 966149195 /nfs/dbraw/zinc/14/91/95/966149195.db2.gz CGEVMLLGUNMQCF-UHFFFAOYSA-N 1 2 414.487 3.984 20 5 HHBDLO CC(C)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000045673440 967530159 /nfs/dbraw/zinc/53/01/59/967530159.db2.gz CEHSCVJDFNWTNQ-LJQANCHMSA-N 1 2 404.430 3.784 20 5 HHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)cc1OC ZINC000542914771 1013754361 /nfs/dbraw/zinc/75/43/61/1013754361.db2.gz GSLGILPVOZENCM-SJLPKXTDSA-N 1 2 419.522 3.615 20 5 HHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)cc1OC ZINC000542914771 1013754368 /nfs/dbraw/zinc/75/43/68/1013754368.db2.gz GSLGILPVOZENCM-SJLPKXTDSA-N 1 2 419.522 3.615 20 5 HHBDLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000047406682 968178742 /nfs/dbraw/zinc/17/87/42/968178742.db2.gz CZWIXKJXLZYKKS-SFHVURJKSA-N 1 2 410.430 3.999 20 5 HHBDLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000047406682 968178745 /nfs/dbraw/zinc/17/87/45/968178745.db2.gz CZWIXKJXLZYKKS-SFHVURJKSA-N 1 2 410.430 3.999 20 5 HHBDLO COc1cc(C)c([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1OC ZINC000097335109 969124557 /nfs/dbraw/zinc/12/45/57/969124557.db2.gz NRKNUHBMTHYJFX-AWEZNQCLSA-N 1 2 410.430 3.597 20 5 HHBDLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000108936716 969437346 /nfs/dbraw/zinc/43/73/46/969437346.db2.gz SISWRVWLVWDEBW-UHFFFAOYSA-N 1 2 413.821 3.726 20 5 HHBDLO CC(=O)N(C)C1CC[NH+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000109197848 969477989 /nfs/dbraw/zinc/47/79/89/969477989.db2.gz HNPQLSQRBJYOJX-QFIPXVFZSA-N 1 2 424.501 3.526 20 5 HHBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000140730900 970085062 /nfs/dbraw/zinc/08/50/62/970085062.db2.gz NFTYQSMPGBZBBU-LJQANCHMSA-N 1 2 408.433 3.622 20 5 HHBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000140730900 970085071 /nfs/dbraw/zinc/08/50/71/970085071.db2.gz NFTYQSMPGBZBBU-LJQANCHMSA-N 1 2 408.433 3.622 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000261378766 970635418 /nfs/dbraw/zinc/63/54/18/970635418.db2.gz BMQDWWJPEKNIPO-OAHLLOKOSA-N 1 2 405.495 3.744 20 5 HHBDLO O=[N+]([O-])c1cccc(C[NH2+]Cc2c(Br)cncc2Br)c1 ZINC000394575551 972867730 /nfs/dbraw/zinc/86/77/30/972867730.db2.gz QSLRDEIQYAMGHS-UHFFFAOYSA-N 1 2 401.058 3.805 20 5 HHBDLO COc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000425985557 974096666 /nfs/dbraw/zinc/09/66/66/974096666.db2.gz RLRWGFPLKUEEAW-RXVVDRJESA-N 1 2 421.457 3.528 20 5 HHBDLO C[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000426270311 974360038 /nfs/dbraw/zinc/36/00/38/974360038.db2.gz HYYGYXCYVHZZSU-BLLLJJGKSA-N 1 2 411.384 3.603 20 5 HHBDLO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000426741943 974628304 /nfs/dbraw/zinc/62/83/04/974628304.db2.gz NQLYYLMBTDJWRO-CQSZACIVSA-N 1 2 423.922 3.981 20 5 HHBDLO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000426741943 974628308 /nfs/dbraw/zinc/62/83/08/974628308.db2.gz NQLYYLMBTDJWRO-CQSZACIVSA-N 1 2 423.922 3.981 20 5 HHBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000428354660 975668172 /nfs/dbraw/zinc/66/81/72/975668172.db2.gz ZERMCMIPTYVQOW-HNNXBMFYSA-N 1 2 412.833 3.982 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000430224352 977402168 /nfs/dbraw/zinc/40/21/68/977402168.db2.gz HQWAGRMYKZPJEY-UHFFFAOYSA-N 1 2 403.866 3.605 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000430224352 977402176 /nfs/dbraw/zinc/40/21/76/977402176.db2.gz HQWAGRMYKZPJEY-UHFFFAOYSA-N 1 2 403.866 3.605 20 5 HHBDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000433034297 979048157 /nfs/dbraw/zinc/04/81/57/979048157.db2.gz XYXCHUKKDKKUCT-BJLXPSRBSA-N 1 2 424.526 3.790 20 5 HHBDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000433034297 979048160 /nfs/dbraw/zinc/04/81/60/979048160.db2.gz XYXCHUKKDKKUCT-BJLXPSRBSA-N 1 2 424.526 3.790 20 5 HHBDLO CC(C)c1n[nH]c(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000433826988 979605532 /nfs/dbraw/zinc/60/55/32/979605532.db2.gz UWRPPIGCBCWRPP-CQSZACIVSA-N 1 2 423.876 3.801 20 5 HHBDLO Cc1c(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc(Br)cc1[N+](=O)[O-] ZINC000435323298 980781829 /nfs/dbraw/zinc/78/18/29/980781829.db2.gz LIRYWXJFBHGPGZ-UHFFFAOYSA-N 1 2 422.283 3.862 20 5 HHBDLO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000435837331 981053821 /nfs/dbraw/zinc/05/38/21/981053821.db2.gz SLHIAGQQQZEOTI-UHFFFAOYSA-N 1 2 411.505 3.948 20 5 HHBDLO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC[NH+](CCc2cccs2)CC1 ZINC000436143686 981218133 /nfs/dbraw/zinc/21/81/33/981218133.db2.gz XXKGYSXFAHVYEP-UHFFFAOYSA-N 1 2 417.534 3.743 20 5 HHBDLO C[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436893097 981603457 /nfs/dbraw/zinc/60/34/57/981603457.db2.gz NQPUZKRGOZNJJB-KZULUSFZSA-N 1 2 407.829 3.516 20 5 HHBDLO C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436893097 981603460 /nfs/dbraw/zinc/60/34/60/981603460.db2.gz NQPUZKRGOZNJJB-KZULUSFZSA-N 1 2 407.829 3.516 20 5 HHBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000460734322 982491514 /nfs/dbraw/zinc/49/15/14/982491514.db2.gz JZNLSLWIEZFAFT-SFHVURJKSA-N 1 2 405.857 3.883 20 5 HHBDLO O=C(Nc1c(F)cccc1Br)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000438427718 982784425 /nfs/dbraw/zinc/78/44/25/982784425.db2.gz PWCMQVNYSMHZKP-UHFFFAOYSA-N 1 2 405.183 3.934 20 5 HHBDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000439777741 983534815 /nfs/dbraw/zinc/53/48/15/983534815.db2.gz ABGBMOVILMXHSI-YCRPNKLZSA-N 1 2 414.481 3.810 20 5 HHBDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000439777741 983534818 /nfs/dbraw/zinc/53/48/18/983534818.db2.gz ABGBMOVILMXHSI-YCRPNKLZSA-N 1 2 414.481 3.810 20 5 HHBDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000439791932 983541453 /nfs/dbraw/zinc/54/14/53/983541453.db2.gz YJIBZSVARQBFSX-OPAMFIHVSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000439791932 983541455 /nfs/dbraw/zinc/54/14/55/983541455.db2.gz YJIBZSVARQBFSX-OPAMFIHVSA-N 1 2 410.518 3.979 20 5 HHBDLO CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)n2)cc1 ZINC000440490962 983775132 /nfs/dbraw/zinc/77/51/32/983775132.db2.gz HVJQKMWEUQDWPG-QGZVFWFLSA-N 1 2 408.462 3.850 20 5 HHBDLO CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)n2)cc1 ZINC000440490962 983775136 /nfs/dbraw/zinc/77/51/36/983775136.db2.gz HVJQKMWEUQDWPG-QGZVFWFLSA-N 1 2 408.462 3.850 20 5 HHBDLO CCO[C@H](C)c1nc(CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)cs1 ZINC000441373907 984215999 /nfs/dbraw/zinc/21/59/99/984215999.db2.gz CUNNYUMAMURGHF-MRXNPFEDSA-N 1 2 404.536 3.775 20 5 HHBDLO COc1cc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OC ZINC000441482701 984277132 /nfs/dbraw/zinc/27/71/32/984277132.db2.gz AWNMACFTOTWZOZ-GOSISDBHSA-N 1 2 424.457 3.597 20 5 HHBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CCOc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000441485858 984279882 /nfs/dbraw/zinc/27/98/82/984279882.db2.gz DLLDZMAPOYBCCK-LJQANCHMSA-N 1 2 408.458 3.735 20 5 HHBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000442249367 984771246 /nfs/dbraw/zinc/77/12/46/984771246.db2.gz KEYVEIWDNHVIEM-FQEVSTJZSA-N 1 2 407.474 3.991 20 5 HHBDLO C[C@@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000442731000 985190862 /nfs/dbraw/zinc/19/08/62/985190862.db2.gz GUGOWHPDKFXKQO-CVEARBPZSA-N 1 2 415.515 3.585 20 5 HHBDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H](C)C1 ZINC000442890886 985263336 /nfs/dbraw/zinc/26/33/36/985263336.db2.gz BIDZMBSIHLUHIZ-INIZCTEOSA-N 1 2 422.485 3.821 20 5 HHBDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H](C)C1 ZINC000442890886 985263345 /nfs/dbraw/zinc/26/33/45/985263345.db2.gz BIDZMBSIHLUHIZ-INIZCTEOSA-N 1 2 422.485 3.821 20 5 HHBDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)C1 ZINC000442898610 985268402 /nfs/dbraw/zinc/26/84/02/985268402.db2.gz JKLBWRGCZLECAV-INIZCTEOSA-N 1 2 422.485 3.821 20 5 HHBDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)C1 ZINC000442898610 985268414 /nfs/dbraw/zinc/26/84/14/985268414.db2.gz JKLBWRGCZLECAV-INIZCTEOSA-N 1 2 422.485 3.821 20 5 HHBDLO O=[N+]([O-])c1ccc(NCc2cccc(Cn3cc[nH+]c3)c2)nc1OCc1ccccc1 ZINC000462501916 985454143 /nfs/dbraw/zinc/45/41/43/985454143.db2.gz OHSKDGLHSBHSFU-UHFFFAOYSA-N 1 2 415.453 4.426 20 5 HHBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCCc3ccccc3[N+](=O)[O-])n2)C1 ZINC000467985834 985631445 /nfs/dbraw/zinc/63/14/45/985631445.db2.gz VDTKYVFDBICEGQ-CQSZACIVSA-N 1 2 403.508 3.647 20 5 HHBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCc3ccccc3[N+](=O)[O-])n2)C1 ZINC000467985834 985631452 /nfs/dbraw/zinc/63/14/52/985631452.db2.gz VDTKYVFDBICEGQ-CQSZACIVSA-N 1 2 403.508 3.647 20 5 HHBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000462769194 985705971 /nfs/dbraw/zinc/70/59/71/985705971.db2.gz XQAHRTGORKCUJO-HXUWFJFHSA-N 1 2 406.486 3.767 20 5 HHBDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000468687501 986399624 /nfs/dbraw/zinc/39/96/24/986399624.db2.gz KAPBKSBUIOAGQH-CQSZACIVSA-N 1 2 404.854 3.544 20 5 HHBDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000468687501 986399635 /nfs/dbraw/zinc/39/96/35/986399635.db2.gz KAPBKSBUIOAGQH-CQSZACIVSA-N 1 2 404.854 3.544 20 5 HHBDLO O=C(C[N@@H+]1CC[C@H](CC(F)(F)F)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444712193 986884078 /nfs/dbraw/zinc/88/40/78/986884078.db2.gz WDXHTGFASDPMDJ-LLVKDONJSA-N 1 2 414.409 3.931 20 5 HHBDLO O=C(C[N@H+]1CC[C@H](CC(F)(F)F)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444712193 986884090 /nfs/dbraw/zinc/88/40/90/986884090.db2.gz WDXHTGFASDPMDJ-LLVKDONJSA-N 1 2 414.409 3.931 20 5 HHBDLO COc1ccc([N+](=O)[O-])c(Cc2noc(/C=C/c3ccc(-n4cc[nH+]c4)cc3)n2)c1 ZINC000445579129 987644316 /nfs/dbraw/zinc/64/43/16/987644316.db2.gz LCJDAPCMTHNCCX-RUDMXATFSA-N 1 2 403.398 3.933 20 5 HHBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000445823044 987890144 /nfs/dbraw/zinc/89/01/44/987890144.db2.gz ZSZSNOIVPLXZAF-UHFFFAOYSA-N 1 2 401.220 3.724 20 5 HHBDLO COc1cccc(OCCN2CC[NH+](C/C(C)=C\c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000470178569 988094143 /nfs/dbraw/zinc/09/41/43/988094143.db2.gz KZYXHUCJLUDLQU-CYVLTUHYSA-N 1 2 411.502 3.703 20 5 HHBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000470548459 988558496 /nfs/dbraw/zinc/55/84/96/988558496.db2.gz IREVGAWZOZCURV-KRWDZBQOSA-N 1 2 401.264 3.970 20 5 HHBDLO COc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1Br ZINC000471480544 989678290 /nfs/dbraw/zinc/67/82/90/989678290.db2.gz NEHAVXKHCAAWSQ-UHFFFAOYSA-N 1 2 417.219 3.804 20 5 HHBDLO COc1ccccc1[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)OC(C)C ZINC000471541266 989741029 /nfs/dbraw/zinc/74/10/29/989741029.db2.gz WMHVADRWFDTYDN-OAQYLSRUSA-N 1 2 424.457 3.685 20 5 HHBDLO CCc1ccc(C(=O)NC2(c3noc(C[NH+](CC)CC)n3)CCCC2)cc1[N+](=O)[O-] ZINC000472012542 990180536 /nfs/dbraw/zinc/18/05/36/990180536.db2.gz YOXXSALQFYGLPH-UHFFFAOYSA-N 1 2 415.494 3.581 20 5 HHBDLO COCc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000467015798 992323101 /nfs/dbraw/zinc/32/31/01/992323101.db2.gz IYJFKFKPYKVLGA-SUMWQHHRSA-N 1 2 403.435 3.507 20 5 HHBDLO COCc1ccc([C@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000467015798 992323111 /nfs/dbraw/zinc/32/31/11/992323111.db2.gz IYJFKFKPYKVLGA-SUMWQHHRSA-N 1 2 403.435 3.507 20 5 HHBDLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000481469031 994303463 /nfs/dbraw/zinc/30/34/63/994303463.db2.gz AZDVNGVPXRKBRO-UHFFFAOYSA-N 1 2 420.425 3.818 20 5 HHBDLO Cc1csc(Sc2ccc(C(=O)NC[C@@H](C)Cn3cc[nH+]c3)cc2[N+](=O)[O-])n1 ZINC000473872503 994813506 /nfs/dbraw/zinc/81/35/06/994813506.db2.gz CYWDKOPJOSNQDJ-GFCCVEGCSA-N 1 2 417.516 3.774 20 5 HHBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000473912039 994876304 /nfs/dbraw/zinc/87/63/04/994876304.db2.gz LWFSJHJIBWJWOT-AWEZNQCLSA-N 1 2 424.432 3.507 20 5 HHBDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)c2)CC1 ZINC000474284669 995279262 /nfs/dbraw/zinc/27/92/62/995279262.db2.gz KTLQHBPCUCBCSV-UHFFFAOYSA-N 1 2 424.501 3.635 20 5 HHBDLO C[C@@H](C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000474644503 995590003 /nfs/dbraw/zinc/59/00/03/995590003.db2.gz NDFUQIFNTJGMDK-CYBMUJFWSA-N 1 2 405.857 3.665 20 5 HHBDLO C[C@@H](C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000474644503 995590009 /nfs/dbraw/zinc/59/00/09/995590009.db2.gz NDFUQIFNTJGMDK-CYBMUJFWSA-N 1 2 405.857 3.665 20 5 HHBDLO Cc1ccc2[nH+]c(CSCC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])cn2c1 ZINC000482910604 995839642 /nfs/dbraw/zinc/83/96/42/995839642.db2.gz LZHRBTHDYIRKOQ-UHFFFAOYSA-N 1 2 418.906 3.796 20 5 HHBDLO COC(=O)COc1ccc(C[NH2+][C@@H](c2ccc(C)cc2)c2ccccn2)cc1[N+](=O)[O-] ZINC000475357070 996087317 /nfs/dbraw/zinc/08/73/17/996087317.db2.gz YGYZTYQWUNHMMO-QHCPKHFHSA-N 1 2 421.453 3.729 20 5 HHBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000475494580 996178623 /nfs/dbraw/zinc/17/86/23/996178623.db2.gz RPMAOZYVIUHGCG-UHFFFAOYSA-N 1 2 423.391 3.667 20 5 HHBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000475494580 996178625 /nfs/dbraw/zinc/17/86/25/996178625.db2.gz RPMAOZYVIUHGCG-UHFFFAOYSA-N 1 2 423.391 3.667 20 5 HHBDLO COC(=O)COc1ccc(C[N@H+](C)[C@@H](C)c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000475562754 996220661 /nfs/dbraw/zinc/22/06/61/996220661.db2.gz HGVDLERYTLVPLY-ZDUSSCGKSA-N 1 2 415.471 3.949 20 5 HHBDLO COC(=O)COc1ccc(C[N@@H+](C)[C@@H](C)c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000475562754 996220665 /nfs/dbraw/zinc/22/06/65/996220665.db2.gz HGVDLERYTLVPLY-ZDUSSCGKSA-N 1 2 415.471 3.949 20 5 HHBDLO COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1SC ZINC000484622013 996955441 /nfs/dbraw/zinc/95/54/41/996955441.db2.gz KBDUHWLQUPDKKG-UHFFFAOYSA-N 1 2 412.471 3.500 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000485723495 998194170 /nfs/dbraw/zinc/19/41/70/998194170.db2.gz OUQQHBLIDFTHEX-RTBURBONSA-N 1 2 403.429 3.712 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000485723495 998194176 /nfs/dbraw/zinc/19/41/76/998194176.db2.gz OUQQHBLIDFTHEX-RTBURBONSA-N 1 2 403.429 3.712 20 5 HHBDLO COc1cc(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000485825738 998292332 /nfs/dbraw/zinc/29/23/32/998292332.db2.gz OQFPHQAFYXIVRL-UHFFFAOYSA-N 1 2 403.866 3.605 20 5 HHBDLO COc1cc(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000485825738 998292339 /nfs/dbraw/zinc/29/23/39/998292339.db2.gz OQFPHQAFYXIVRL-UHFFFAOYSA-N 1 2 403.866 3.605 20 5 HHBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000485885549 998340636 /nfs/dbraw/zinc/34/06/36/998340636.db2.gz VCGFMTUXXFLJPW-CYBMUJFWSA-N 1 2 404.492 3.934 20 5 HHBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000485885549 998340640 /nfs/dbraw/zinc/34/06/40/998340640.db2.gz VCGFMTUXXFLJPW-CYBMUJFWSA-N 1 2 404.492 3.934 20 5 HHBDLO O=C(C[NH+]1CCC(c2c(F)cccc2F)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000485909306 998360787 /nfs/dbraw/zinc/36/07/87/998360787.db2.gz WJPBVYPJVWHLHT-UHFFFAOYSA-N 1 2 401.413 3.642 20 5 HHBDLO C[C@H]1C[N@@H+]([C@@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c2cccs2)CCO1 ZINC000486921807 999007772 /nfs/dbraw/zinc/00/77/72/999007772.db2.gz DHKVMTUANBPIFD-BBRMVZONSA-N 1 2 415.475 3.580 20 5 HHBDLO C[C@H]1C[N@H+]([C@@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c2cccs2)CCO1 ZINC000486921807 999007781 /nfs/dbraw/zinc/00/77/81/999007781.db2.gz DHKVMTUANBPIFD-BBRMVZONSA-N 1 2 415.475 3.580 20 5 HHBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000479052989 999269313 /nfs/dbraw/zinc/26/93/13/999269313.db2.gz YGUIXACLWNTFOS-UHFFFAOYSA-N 1 2 400.504 3.700 20 5 HHBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)cc1C ZINC000489556993 999791583 /nfs/dbraw/zinc/79/15/83/999791583.db2.gz UGLNPEUJYJYYBS-UHFFFAOYSA-N 1 2 403.504 3.917 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)c([N+](=O)[O-])c1 ZINC000490050467 999885274 /nfs/dbraw/zinc/88/52/74/999885274.db2.gz ZOVFRWPRJZBSSS-BDAKNGLRSA-N 1 2 418.397 3.757 20 5 HHBDLO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490208012 999910885 /nfs/dbraw/zinc/91/08/85/999910885.db2.gz SRJJOIKZEBUUQZ-AWEZNQCLSA-N 1 2 403.429 3.585 20 5 HHBDLO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490208012 999910887 /nfs/dbraw/zinc/91/08/87/999910887.db2.gz SRJJOIKZEBUUQZ-AWEZNQCLSA-N 1 2 403.429 3.585 20 5 HHBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000491092327 1000044759 /nfs/dbraw/zinc/04/47/59/1000044759.db2.gz RWAGBMLLVHOQBU-HNNXBMFYSA-N 1 2 402.344 3.624 20 5 HHBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000491092327 1000044761 /nfs/dbraw/zinc/04/47/61/1000044761.db2.gz RWAGBMLLVHOQBU-HNNXBMFYSA-N 1 2 402.344 3.624 20 5 HHBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000492418306 1000125915 /nfs/dbraw/zinc/12/59/15/1000125915.db2.gz NCOFXTLHPLZPKY-UHFFFAOYSA-N 1 2 401.426 3.785 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)cc1OC ZINC000494069870 1000293475 /nfs/dbraw/zinc/29/34/75/1000293475.db2.gz SHKNAQXYSUQBHX-AWEZNQCLSA-N 1 2 401.463 3.687 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCc3cc[nH]c(=O)c3C2)cc1OC ZINC000494069870 1000293481 /nfs/dbraw/zinc/29/34/81/1000293481.db2.gz SHKNAQXYSUQBHX-AWEZNQCLSA-N 1 2 401.463 3.687 20 5 HHBDLO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(c3noc(C(C)C)n3)CC2)cccc1[N+](=O)[O-] ZINC000505258621 1000651926 /nfs/dbraw/zinc/65/19/26/1000651926.db2.gz WWAFQIXSUHOZIM-CQSZACIVSA-N 1 2 401.467 3.616 20 5 HHBDLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCS1 ZINC000494900995 1000721100 /nfs/dbraw/zinc/72/11/00/1000721100.db2.gz CQPKSMFMEQEGDU-DOMZBBRYSA-N 1 2 406.533 3.873 20 5 HHBDLO CC[C@H]1C[N@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCS1 ZINC000494900995 1000721107 /nfs/dbraw/zinc/72/11/07/1000721107.db2.gz CQPKSMFMEQEGDU-DOMZBBRYSA-N 1 2 406.533 3.873 20 5 HHBDLO COc1ccccc1[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000505513837 1000852312 /nfs/dbraw/zinc/85/23/12/1000852312.db2.gz HXQMXOSTMVCBLE-QGZVFWFLSA-N 1 2 424.482 3.514 20 5 HHBDLO O=C(NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1)c1ccccc1 ZINC000506244539 1001303140 /nfs/dbraw/zinc/30/31/40/1001303140.db2.gz AUNOZQCRSOKRRR-UHFFFAOYSA-N 1 2 405.401 3.591 20 5 HHBDLO Cc1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000499153841 1002537656 /nfs/dbraw/zinc/53/76/56/1002537656.db2.gz HTHRVZKZINPRMD-OALUTQOASA-N 1 2 418.881 3.750 20 5 HHBDLO Cc1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000499153841 1002537666 /nfs/dbraw/zinc/53/76/66/1002537666.db2.gz HTHRVZKZINPRMD-OALUTQOASA-N 1 2 418.881 3.750 20 5 HHBDLO NC(=O)c1ccc(C[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C2CC2)cc1 ZINC000508604484 1003060512 /nfs/dbraw/zinc/06/05/12/1003060512.db2.gz NBRIKCALQVOHCH-UHFFFAOYSA-N 1 2 408.483 3.982 20 5 HHBDLO NC(=O)c1ccc(C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C2CC2)cc1 ZINC000508604484 1003060506 /nfs/dbraw/zinc/06/05/06/1003060506.db2.gz NBRIKCALQVOHCH-UHFFFAOYSA-N 1 2 408.483 3.982 20 5 HHBDLO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000509207033 1003624546 /nfs/dbraw/zinc/62/45/46/1003624546.db2.gz GYROJPJSCDSTQT-UHFFFAOYSA-N 1 2 404.348 3.788 20 5 HHBDLO O=C(Nc1nc2c(ccc(F)c2F)s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000500630938 1003846034 /nfs/dbraw/zinc/84/60/34/1003846034.db2.gz DVRYCGVOICNBDS-UHFFFAOYSA-N 1 2 401.354 3.921 20 5 HHBDLO CCOc1ccc(C2=CC[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000509495157 1003903992 /nfs/dbraw/zinc/90/39/92/1003903992.db2.gz XQWBWVHWNYFTAY-UHFFFAOYSA-N 1 2 407.470 3.672 20 5 HHBDLO CCOc1ccc(C2=CC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000509495157 1003903995 /nfs/dbraw/zinc/90/39/95/1003903995.db2.gz XQWBWVHWNYFTAY-UHFFFAOYSA-N 1 2 407.470 3.672 20 5 HHBDLO O=[N+]([O-])c1cc(Cl)ccc1-c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000500805079 1003968186 /nfs/dbraw/zinc/96/81/86/1003968186.db2.gz HUJLMNFPKAYGOY-QGZVFWFLSA-N 1 2 400.822 3.872 20 5 HHBDLO O=[N+]([O-])c1cc(Cl)ccc1-c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000500805079 1003968192 /nfs/dbraw/zinc/96/81/92/1003968192.db2.gz HUJLMNFPKAYGOY-QGZVFWFLSA-N 1 2 400.822 3.872 20 5 HHBDLO CCOc1ccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1[N+](=O)[O-] ZINC000500838262 1003993438 /nfs/dbraw/zinc/99/34/38/1003993438.db2.gz BOXHHNQESIAPAS-LJQANCHMSA-N 1 2 410.430 3.617 20 5 HHBDLO CCOc1ccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1[N+](=O)[O-] ZINC000500838262 1003993444 /nfs/dbraw/zinc/99/34/44/1003993444.db2.gz BOXHHNQESIAPAS-LJQANCHMSA-N 1 2 410.430 3.617 20 5 HHBDLO Cc1c(Br)cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000509678094 1004024393 /nfs/dbraw/zinc/02/43/93/1004024393.db2.gz DCROQHHYVIWGNP-UHFFFAOYSA-N 1 2 419.279 3.591 20 5 HHBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)n2)C1 ZINC000510228899 1004410293 /nfs/dbraw/zinc/41/02/93/1004410293.db2.gz FKYFDVUGOZZUTP-OAHLLOKOSA-N 1 2 417.535 3.990 20 5 HHBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)n2)C1 ZINC000510228899 1004410301 /nfs/dbraw/zinc/41/03/01/1004410301.db2.gz FKYFDVUGOZZUTP-OAHLLOKOSA-N 1 2 417.535 3.990 20 5 HHBDLO Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000501971123 1004837947 /nfs/dbraw/zinc/83/79/47/1004837947.db2.gz HVPBZVKFPUVSOJ-GOSISDBHSA-N 1 2 408.462 3.878 20 5 HHBDLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513651560 1005067148 /nfs/dbraw/zinc/06/71/48/1005067148.db2.gz BSSATHHYVLAVLC-UHFFFAOYSA-N 1 2 418.356 3.724 20 5 HHBDLO Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1[N+](=O)[O-] ZINC000502573361 1005124730 /nfs/dbraw/zinc/12/47/30/1005124730.db2.gz WWIDJFMBPIMBAT-UHFFFAOYSA-N 1 2 421.442 3.517 20 5 HHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000502754387 1005202066 /nfs/dbraw/zinc/20/20/66/1005202066.db2.gz AKPXZVJCNGOXRK-CQSZACIVSA-N 1 2 420.872 3.532 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCc2cccc(OC(F)F)c21 ZINC000511506708 1005204703 /nfs/dbraw/zinc/20/47/03/1005204703.db2.gz IIMMGEDWBSPHGF-UHFFFAOYSA-N 1 2 414.368 3.975 20 5 HHBDLO O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534245558 1006253248 /nfs/dbraw/zinc/25/32/48/1006253248.db2.gz AFFSQDFUONGUGZ-CYBMUJFWSA-N 1 2 414.412 3.749 20 5 HHBDLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534245558 1006253257 /nfs/dbraw/zinc/25/32/57/1006253257.db2.gz AFFSQDFUONGUGZ-CYBMUJFWSA-N 1 2 414.412 3.749 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000534654210 1006632235 /nfs/dbraw/zinc/63/22/35/1006632235.db2.gz WNFBTCLOZVUGGQ-CXAGYDPISA-N 1 2 419.865 3.737 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000534654210 1006632246 /nfs/dbraw/zinc/63/22/46/1006632246.db2.gz WNFBTCLOZVUGGQ-CXAGYDPISA-N 1 2 419.865 3.737 20 5 HHBDLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000516119085 1006895343 /nfs/dbraw/zinc/89/53/43/1006895343.db2.gz BQYDHNKVMMCIJP-UHFFFAOYSA-N 1 2 422.832 3.550 20 5 HHBDLO Cc1ccc(OC2CC[NH+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2)cc1C ZINC000532492819 1006933762 /nfs/dbraw/zinc/93/37/62/1006933762.db2.gz LCIJUCKZBJPJGT-UHFFFAOYSA-N 1 2 409.486 3.644 20 5 HHBDLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000538740062 1007023525 /nfs/dbraw/zinc/02/35/25/1007023525.db2.gz GLRSXFZQPRROIH-CYBMUJFWSA-N 1 2 412.895 3.905 20 5 HHBDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000538740062 1007023535 /nfs/dbraw/zinc/02/35/35/1007023535.db2.gz GLRSXFZQPRROIH-CYBMUJFWSA-N 1 2 412.895 3.905 20 5 HHBDLO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000535287408 1007337933 /nfs/dbraw/zinc/33/79/33/1007337933.db2.gz FNFQWFMWUXQCEF-UHFFFAOYSA-N 1 2 404.426 3.918 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539125801 1007416084 /nfs/dbraw/zinc/41/60/84/1007416084.db2.gz JDYWLSMJTXASHV-MJGOQNOKSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539125801 1007416088 /nfs/dbraw/zinc/41/60/88/1007416088.db2.gz JDYWLSMJTXASHV-MJGOQNOKSA-N 1 2 421.856 3.961 20 5 HHBDLO Cc1c(C[NH2+][C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cnn1C ZINC000535404695 1007472968 /nfs/dbraw/zinc/47/29/68/1007472968.db2.gz BTWJQLYJOCRYEY-IBGZPJMESA-N 1 2 413.865 3.760 20 5 HHBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000533240097 1007560289 /nfs/dbraw/zinc/56/02/89/1007560289.db2.gz LFONRNQSILOCSF-ZDUSSCGKSA-N 1 2 405.401 3.743 20 5 HHBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000533291110 1007604115 /nfs/dbraw/zinc/60/41/15/1007604115.db2.gz BHOYTKKYNMJHMC-JHJVBQTASA-N 1 2 406.533 3.871 20 5 HHBDLO O=C(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000533516940 1007835550 /nfs/dbraw/zinc/83/55/50/1007835550.db2.gz VVYZEUYCFIAJRT-CVDCTZTESA-N 1 2 423.517 3.524 20 5 HHBDLO O=C(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000533516940 1007835568 /nfs/dbraw/zinc/83/55/68/1007835568.db2.gz VVYZEUYCFIAJRT-CVDCTZTESA-N 1 2 423.517 3.524 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000533629027 1007933260 /nfs/dbraw/zinc/93/32/60/1007933260.db2.gz UGEJQVKBZHHVJX-SJLPKXTDSA-N 1 2 406.845 3.632 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000533629027 1007933267 /nfs/dbraw/zinc/93/32/67/1007933267.db2.gz UGEJQVKBZHHVJX-SJLPKXTDSA-N 1 2 406.845 3.632 20 5 HHBDLO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)cccc1[N+](=O)[O-] ZINC000536069097 1008097560 /nfs/dbraw/zinc/09/75/60/1008097560.db2.gz VBZXCMOUIJDXRU-IBGZPJMESA-N 1 2 420.473 3.854 20 5 HHBDLO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)cccc1[N+](=O)[O-] ZINC000536069097 1008097566 /nfs/dbraw/zinc/09/75/66/1008097566.db2.gz VBZXCMOUIJDXRU-IBGZPJMESA-N 1 2 420.473 3.854 20 5 HHBDLO COc1cc(C[N@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c(SC)cc1OC ZINC000539818304 1008112565 /nfs/dbraw/zinc/11/25/65/1008112565.db2.gz VDLVLGRKYIRRSH-UHFFFAOYSA-N 1 2 422.503 3.983 20 5 HHBDLO COc1cc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c(SC)cc1OC ZINC000539818304 1008112570 /nfs/dbraw/zinc/11/25/70/1008112570.db2.gz VDLVLGRKYIRRSH-UHFFFAOYSA-N 1 2 422.503 3.983 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540226700 1008343959 /nfs/dbraw/zinc/34/39/59/1008343959.db2.gz ZKFCHYCKZYYLEO-QUCCMNQESA-N 1 2 405.857 3.882 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540226700 1008343962 /nfs/dbraw/zinc/34/39/62/1008343962.db2.gz ZKFCHYCKZYYLEO-QUCCMNQESA-N 1 2 405.857 3.882 20 5 HHBDLO COc1cc([C@@H](C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc(OC)c1OC ZINC000540325988 1008380903 /nfs/dbraw/zinc/38/09/03/1008380903.db2.gz KNQXAPSJBCHKGW-GFCCVEGCSA-N 1 2 414.418 3.521 20 5 HHBDLO COc1ccc(S(=O)(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c([N+](=O)[O-])c1 ZINC000540331230 1008383655 /nfs/dbraw/zinc/38/36/55/1008383655.db2.gz QLVMEOTURVAMCG-HNNXBMFYSA-N 1 2 419.503 3.779 20 5 HHBDLO COc1ccc(S(=O)(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c([N+](=O)[O-])c1 ZINC000540331230 1008383657 /nfs/dbraw/zinc/38/36/57/1008383657.db2.gz QLVMEOTURVAMCG-HNNXBMFYSA-N 1 2 419.503 3.779 20 5 HHBDLO O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000518935407 1008479099 /nfs/dbraw/zinc/47/90/99/1008479099.db2.gz FFABFYPJAXYSIG-ZDUSSCGKSA-N 1 2 414.412 3.749 20 5 HHBDLO O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000518935407 1008479103 /nfs/dbraw/zinc/47/91/03/1008479103.db2.gz FFABFYPJAXYSIG-ZDUSSCGKSA-N 1 2 414.412 3.749 20 5 HHBDLO COc1cc(C[N@@H+]2CC[C@H](OC(F)F)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000549451644 1009042510 /nfs/dbraw/zinc/04/25/10/1009042510.db2.gz PCZYMTCXJPCQGE-INIZCTEOSA-N 1 2 408.401 3.996 20 5 HHBDLO COc1cc(C[N@H+]2CC[C@H](OC(F)F)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000549451644 1009042526 /nfs/dbraw/zinc/04/25/26/1009042526.db2.gz PCZYMTCXJPCQGE-INIZCTEOSA-N 1 2 408.401 3.996 20 5 HHBDLO COc1cc(C[NH2+]Cc2cn3ccc(C)cc3n2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000520214761 1009347174 /nfs/dbraw/zinc/34/71/74/1009347174.db2.gz ZVGYFSYQJVHEDT-UHFFFAOYSA-N 1 2 424.379 3.790 20 5 HHBDLO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000549899276 1009520232 /nfs/dbraw/zinc/52/02/32/1009520232.db2.gz MPCOIONYIHJNPL-UHFFFAOYSA-N 1 2 405.838 3.510 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543949591 1009546481 /nfs/dbraw/zinc/54/64/81/1009546481.db2.gz QCSYIAXTTPRSCY-JXFKEZNVSA-N 1 2 407.392 3.506 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543949591 1009546494 /nfs/dbraw/zinc/54/64/94/1009546494.db2.gz QCSYIAXTTPRSCY-JXFKEZNVSA-N 1 2 407.392 3.506 20 5 HHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543987789 1009586535 /nfs/dbraw/zinc/58/65/35/1009586535.db2.gz IXHNHCSPGKVLGE-OAHLLOKOSA-N 1 2 419.913 3.964 20 5 HHBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000544142066 1009749892 /nfs/dbraw/zinc/74/98/92/1009749892.db2.gz ISDVWAQXYRTXTE-WMZOPIPTSA-N 1 2 408.907 3.778 20 5 HHBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000544142066 1009749902 /nfs/dbraw/zinc/74/99/02/1009749902.db2.gz ISDVWAQXYRTXTE-WMZOPIPTSA-N 1 2 408.907 3.778 20 5 HHBDLO Cc1sc(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)cc1[N+](=O)[O-] ZINC000546821200 1009780630 /nfs/dbraw/zinc/78/06/30/1009780630.db2.gz SPBLDRNFENQRPV-UHFFFAOYSA-N 1 2 423.292 3.656 20 5 HHBDLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000550354593 1009883233 /nfs/dbraw/zinc/88/32/33/1009883233.db2.gz TVOIAWFUKLNDMQ-LBPRGKRZSA-N 1 2 420.491 3.843 20 5 HHBDLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000550354593 1009883252 /nfs/dbraw/zinc/88/32/52/1009883252.db2.gz TVOIAWFUKLNDMQ-LBPRGKRZSA-N 1 2 420.491 3.843 20 5 HHBDLO C[C@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)[NH+]1CCOCC1 ZINC000544490009 1010113944 /nfs/dbraw/zinc/11/39/44/1010113944.db2.gz ZVEJXAWUQYVWMW-JKSUJKDBSA-N 1 2 421.563 3.716 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000547262312 1010209091 /nfs/dbraw/zinc/20/90/91/1010209091.db2.gz WKZKLHONVZFRJJ-RBUKOAKNSA-N 1 2 421.419 3.851 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000547262312 1010209101 /nfs/dbraw/zinc/20/91/01/1010209101.db2.gz WKZKLHONVZFRJJ-RBUKOAKNSA-N 1 2 421.419 3.851 20 5 HHBDLO COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000551552651 1010656645 /nfs/dbraw/zinc/65/66/45/1010656645.db2.gz LFAHPTZWCBMSGX-IBGZPJMESA-N 1 2 406.442 3.939 20 5 HHBDLO CCCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)c2C1 ZINC000545184543 1010675244 /nfs/dbraw/zinc/67/52/44/1010675244.db2.gz PHUHLFLTCOEFPS-UHFFFAOYSA-N 1 2 405.476 3.520 20 5 HHBDLO CCCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)c2C1 ZINC000545184543 1010675250 /nfs/dbraw/zinc/67/52/50/1010675250.db2.gz PHUHLFLTCOEFPS-UHFFFAOYSA-N 1 2 405.476 3.520 20 5 HHBDLO C[C@@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H](C)[NH+]1CCOCC1 ZINC000522709771 1011171483 /nfs/dbraw/zinc/17/14/83/1011171483.db2.gz YLCYNCQOVCZBFU-CVEARBPZSA-N 1 2 414.462 3.618 20 5 HHBDLO Cc1cc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c(C)c[nH+]1 ZINC000536574876 1011738680 /nfs/dbraw/zinc/73/86/80/1011738680.db2.gz PLUZMFKOTNZHKE-UHFFFAOYSA-N 1 2 406.229 3.773 20 5 HHBDLO O=C(c1cc(N2CCC(CCCn3cc[nH+]c3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000541190946 1011862949 /nfs/dbraw/zinc/86/29/49/1011862949.db2.gz QIQWRAQZINULDG-UHFFFAOYSA-N 1 2 411.506 3.724 20 5 HHBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC[N@@H+]1CCc2sccc2C1 ZINC000541397473 1012122819 /nfs/dbraw/zinc/12/28/19/1012122819.db2.gz ILZDOGVKACAKLD-UHFFFAOYSA-N 1 2 411.936 3.576 20 5 HHBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC[N@H+]1CCc2sccc2C1 ZINC000541397473 1012122828 /nfs/dbraw/zinc/12/28/28/1012122828.db2.gz ILZDOGVKACAKLD-UHFFFAOYSA-N 1 2 411.936 3.576 20 5 HHBDLO CCOc1cc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c([N+](=O)[O-])cc1OC ZINC000552229403 1012240689 /nfs/dbraw/zinc/24/06/89/1012240689.db2.gz DIAJHVWPTURRIQ-SHTZXODSSA-N 1 2 414.462 3.550 20 5 HHBDLO Cn1ccnc1[C@H]([NH2+]CCNc1ncc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000552247606 1012258653 /nfs/dbraw/zinc/25/86/53/1012258653.db2.gz VDMRZOUZUYBRFC-MRXNPFEDSA-N 1 2 421.288 3.821 20 5 HHBDLO CN(C)[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000552252687 1012262330 /nfs/dbraw/zinc/26/23/30/1012262330.db2.gz TYNUFOOEWNQTAS-ICSRJNTNSA-N 1 2 415.444 3.588 20 5 HHBDLO CN(C)[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000552252686 1012262756 /nfs/dbraw/zinc/26/27/56/1012262756.db2.gz TYNUFOOEWNQTAS-AZUAARDMSA-N 1 2 415.444 3.588 20 5 HHBDLO COC[C@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(C)o1 ZINC000541628744 1012442008 /nfs/dbraw/zinc/44/20/08/1012442008.db2.gz KADKQXVNESDWTF-HNNXBMFYSA-N 1 2 416.459 3.536 20 5 HHBDLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000541640574 1012457622 /nfs/dbraw/zinc/45/76/22/1012457622.db2.gz XOXZWSKFCQWUOX-INIZCTEOSA-N 1 2 415.465 3.581 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542007924 1012890534 /nfs/dbraw/zinc/89/05/34/1012890534.db2.gz FZHQMXGDBOTDOX-AEFFLSMTSA-N 1 2 408.380 3.969 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542007924 1012890549 /nfs/dbraw/zinc/89/05/49/1012890549.db2.gz FZHQMXGDBOTDOX-AEFFLSMTSA-N 1 2 408.380 3.969 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542007925 1012891340 /nfs/dbraw/zinc/89/13/40/1012891340.db2.gz FZHQMXGDBOTDOX-FUHWJXTLSA-N 1 2 408.380 3.969 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542007925 1012891363 /nfs/dbraw/zinc/89/13/63/1012891363.db2.gz FZHQMXGDBOTDOX-FUHWJXTLSA-N 1 2 408.380 3.969 20 5 HHBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000537464678 1012965380 /nfs/dbraw/zinc/96/53/80/1012965380.db2.gz XGYCPKITZDTOGR-OAHLLOKOSA-N 1 2 400.504 3.891 20 5 HHBDLO O=C(NCCn1ccc2cc(Cl)ccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001272134241 1072149398 /nfs/dbraw/zinc/14/93/98/1072149398.db2.gz LSWMDWBPVGYTBR-UHFFFAOYSA-N 1 2 409.833 3.819 20 5 HHBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000555739625 1073776122 /nfs/dbraw/zinc/77/61/22/1073776122.db2.gz DOWTZGKIYFDRFZ-UHFFFAOYSA-N 1 2 405.454 3.585 20 5 HHBDLO Cc1cc(C(F)(F)F)ccc1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000590380618 1073779463 /nfs/dbraw/zinc/77/94/63/1073779463.db2.gz XMYSAFHNBGKUBV-UHFFFAOYSA-N 1 2 407.392 3.880 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(Oc4cncc(Cl)c4)CC3)n2)cc1 ZINC000574748568 1075315194 /nfs/dbraw/zinc/31/51/94/1075315194.db2.gz AZYMKJRHSVJZEK-UHFFFAOYSA-N 1 2 415.837 3.737 20 5 HHBDLO Cc1nc(NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)ccc1[N+](=O)[O-] ZINC000301623793 971006522 /nfs/dbraw/zinc/00/65/22/971006522.db2.gz GLVWFFUSKFLZAB-UHFFFAOYSA-N 1 2 422.464 3.771 20 5 HHBDLO COC(=O)c1cc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc(C)c1[N+](=O)[O-] ZINC000301673160 971022500 /nfs/dbraw/zinc/02/25/00/971022500.db2.gz GFNHNIHKEWNKSP-UHFFFAOYSA-N 1 2 412.490 3.837 20 5 HHBDLO Cn1c2ccc(Nc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2[nH+]c1C(C)(C)C ZINC000302073694 971169518 /nfs/dbraw/zinc/16/95/18/971169518.db2.gz HWZSGFOOWXQMBJ-UHFFFAOYSA-N 1 2 408.505 3.988 20 5 HHBDLO CC1CC[NH+]([C@@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c2cccs2)CC1 ZINC000302729655 971293406 /nfs/dbraw/zinc/29/34/06/971293406.db2.gz UWSZWKSOOLEMBP-KRWDZBQOSA-N 1 2 423.560 3.945 20 5 HHBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000303358608 971656869 /nfs/dbraw/zinc/65/68/69/971656869.db2.gz PJMKLJBVIBPQAG-UHFFFAOYSA-N 1 2 423.300 3.999 20 5 HHBDLO O=C(CC1CCCC1)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000537628337 1013179786 /nfs/dbraw/zinc/17/97/86/1013179786.db2.gz BYRXIHAVNNOZSB-UHFFFAOYSA-N 1 2 411.449 3.857 20 5 HHBDLO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000007355450 961139810 /nfs/dbraw/zinc/13/98/10/961139810.db2.gz WEQSGSXHXVUXET-IBGZPJMESA-N 1 2 422.529 3.544 20 5 HHBDLO Cc1c(Br)cc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1[N+](=O)[O-] ZINC000553294163 1013251028 /nfs/dbraw/zinc/25/10/28/1013251028.db2.gz BTEZIXTVYNMAOB-UHFFFAOYSA-N 1 2 416.235 3.558 20 5 HHBDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000553363137 1013302944 /nfs/dbraw/zinc/30/29/44/1013302944.db2.gz CGYYSWAMHZLBAO-NSHDSACASA-N 1 2 405.430 3.761 20 5 HHBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015038934 962637880 /nfs/dbraw/zinc/63/78/80/962637880.db2.gz QYILJIMXRRBERG-INIZCTEOSA-N 1 2 423.473 3.674 20 5 HHBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015038934 962637903 /nfs/dbraw/zinc/63/79/03/962637903.db2.gz QYILJIMXRRBERG-INIZCTEOSA-N 1 2 423.473 3.674 20 5 HHBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000542510538 1013455126 /nfs/dbraw/zinc/45/51/26/1013455126.db2.gz HFCSQAQLJSAIRR-HNNXBMFYSA-N 1 2 401.438 3.617 20 5 HHBDLO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccc(Cl)c(Cl)c1 ZINC000024812364 964080377 /nfs/dbraw/zinc/08/03/77/964080377.db2.gz WYUZYGUKYHWCDI-UHFFFAOYSA-N 1 2 412.229 3.701 20 5 HHBDLO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccc(Cl)c(Cl)c1 ZINC000024812364 964080381 /nfs/dbraw/zinc/08/03/81/964080381.db2.gz WYUZYGUKYHWCDI-UHFFFAOYSA-N 1 2 412.229 3.701 20 5 HHBDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 ZINC000025556431 964305783 /nfs/dbraw/zinc/30/57/83/964305783.db2.gz FZNKZXRJSOEGDA-HZPDHXFCSA-N 1 2 416.909 3.636 20 5 HHBDLO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000025556895 964306059 /nfs/dbraw/zinc/30/60/59/964306059.db2.gz AGPPUSQIMZXIJJ-QFBILLFUSA-N 1 2 414.531 3.531 20 5 HHBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050561927 964354108 /nfs/dbraw/zinc/35/41/08/964354108.db2.gz FHQVHRHAFKQDHC-UHFFFAOYSA-N 1 2 419.466 3.893 20 5 HHBDLO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cs1 ZINC000542591324 1013531886 /nfs/dbraw/zinc/53/18/86/1013531886.db2.gz TWIFJGFRVCTGJQ-AWEZNQCLSA-N 1 2 417.512 3.843 20 5 HHBDLO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000052844704 964999463 /nfs/dbraw/zinc/99/94/63/964999463.db2.gz ZVPZJKFIGCWZLW-QFBILLFUSA-N 1 2 414.531 3.531 20 5 HHBDLO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000053215678 965090962 /nfs/dbraw/zinc/09/09/62/965090962.db2.gz DBIMDBWIDMGVAD-UHFFFAOYSA-N 1 2 400.788 3.984 20 5 HHBDLO C[C@@H](c1nnc(Sc2ncccc2[N+](=O)[O-])n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000029001719 965237515 /nfs/dbraw/zinc/23/75/15/965237515.db2.gz HIYMATZPYFAZGX-NSHDSACASA-N 1 2 404.883 3.998 20 5 HHBDLO COc1ccc(C[N@H+](C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1OC ZINC000053778885 965270457 /nfs/dbraw/zinc/27/04/57/965270457.db2.gz OPOQSADUQJKLAG-UHFFFAOYSA-N 1 2 412.389 3.854 20 5 HHBDLO COc1ccc(C[N@@H+](C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1OC ZINC000053778885 965270468 /nfs/dbraw/zinc/27/04/68/965270468.db2.gz OPOQSADUQJKLAG-UHFFFAOYSA-N 1 2 412.389 3.854 20 5 HHBDLO O=C(Nc1ccccc1)c1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000054174687 965409653 /nfs/dbraw/zinc/40/96/53/965409653.db2.gz MDPLPYWCMNZFRQ-UHFFFAOYSA-N 1 2 417.469 3.564 20 5 HHBDLO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031895252 966148051 /nfs/dbraw/zinc/14/80/51/966148051.db2.gz HWDSCQZYMVQHHH-GOSISDBHSA-N 1 2 405.857 3.883 20 5 HHBDLO CNc1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000031896988 966149486 /nfs/dbraw/zinc/14/94/86/966149486.db2.gz XSTLVBRPQCVVEJ-GOSISDBHSA-N 1 2 420.872 3.996 20 5 HHBDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000032198032 966200612 /nfs/dbraw/zinc/20/06/12/966200612.db2.gz WVXPMXZVTMLOPX-UHFFFAOYSA-N 1 2 407.474 3.553 20 5 HHBDLO COC(=O)c1cc(C(C)C)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000061316743 966430994 /nfs/dbraw/zinc/43/09/94/966430994.db2.gz BLXFTHXJKGVVNP-UHFFFAOYSA-N 1 2 408.414 3.943 20 5 HHBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)c1 ZINC000063581028 966894534 /nfs/dbraw/zinc/89/45/34/966894534.db2.gz WXANAYLCCLKBOC-GOSISDBHSA-N 1 2 407.264 3.810 20 5 HHBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)c1 ZINC000063581028 966894538 /nfs/dbraw/zinc/89/45/38/966894538.db2.gz WXANAYLCCLKBOC-GOSISDBHSA-N 1 2 407.264 3.810 20 5 HHBDLO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCNc2cccc[nH+]2)cc1 ZINC000063705057 966933830 /nfs/dbraw/zinc/93/38/30/966933830.db2.gz PNUJVKBTOYOGRO-UHFFFAOYSA-N 1 2 408.414 3.633 20 5 HHBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000064737491 967278832 /nfs/dbraw/zinc/27/88/32/967278832.db2.gz ZFWMETYQZICCOW-NSHDSACASA-N 1 2 404.785 3.979 20 5 HHBDLO O=C(NCCCn1cc[nH+]c1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000045052470 967341811 /nfs/dbraw/zinc/34/18/11/967341811.db2.gz WKTHWFVFSLVZSJ-UHFFFAOYSA-N 1 2 413.865 3.877 20 5 HHBDLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000065226483 967412438 /nfs/dbraw/zinc/41/24/38/967412438.db2.gz PHMDDLCKDQKUOL-UHFFFAOYSA-N 1 2 406.442 3.646 20 5 HHBDLO CC(C)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000045673438 967530009 /nfs/dbraw/zinc/53/00/09/967530009.db2.gz CEHSCVJDFNWTNQ-IBGZPJMESA-N 1 2 404.430 3.784 20 5 HHBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000047580590 968244165 /nfs/dbraw/zinc/24/41/65/968244165.db2.gz XZNSBNQUFFYDSX-IAGOWNOFSA-N 1 2 412.490 3.868 20 5 HHBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000047580588 968244405 /nfs/dbraw/zinc/24/44/05/968244405.db2.gz XZNSBNQUFFYDSX-CALCHBBNSA-N 1 2 412.490 3.868 20 5 HHBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000047580588 968244411 /nfs/dbraw/zinc/24/44/11/968244411.db2.gz XZNSBNQUFFYDSX-CALCHBBNSA-N 1 2 412.490 3.868 20 5 HHBDLO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000072036021 968947974 /nfs/dbraw/zinc/94/79/74/968947974.db2.gz UHZOLMFRPGHXSC-SFHVURJKSA-N 1 2 421.856 3.963 20 5 HHBDLO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000104909206 969211362 /nfs/dbraw/zinc/21/13/62/969211362.db2.gz JWEOFSRGSLRMIL-CQSZACIVSA-N 1 2 409.895 3.929 20 5 HHBDLO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000104909206 969211365 /nfs/dbraw/zinc/21/13/65/969211365.db2.gz JWEOFSRGSLRMIL-CQSZACIVSA-N 1 2 409.895 3.929 20 5 HHBDLO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000104909202 969211414 /nfs/dbraw/zinc/21/14/14/969211414.db2.gz JWEOFSRGSLRMIL-AWEZNQCLSA-N 1 2 409.895 3.929 20 5 HHBDLO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000104909202 969211422 /nfs/dbraw/zinc/21/14/22/969211422.db2.gz JWEOFSRGSLRMIL-AWEZNQCLSA-N 1 2 409.895 3.929 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000105359073 969233728 /nfs/dbraw/zinc/23/37/28/969233728.db2.gz WDMBKBMNJTTWPJ-INIZCTEOSA-N 1 2 413.474 3.612 20 5 HHBDLO O=C(C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCc2ccccc21 ZINC000237951450 970403120 /nfs/dbraw/zinc/40/31/20/970403120.db2.gz UHMOSRBQXIRWMZ-UHFFFAOYSA-N 1 2 408.483 3.787 20 5 HHBDLO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410270328 973784644 /nfs/dbraw/zinc/78/46/44/973784644.db2.gz QXHDCEZENGWDAV-CYBMUJFWSA-N 1 2 420.416 3.749 20 5 HHBDLO O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000426123055 974246600 /nfs/dbraw/zinc/24/66/00/974246600.db2.gz LKHZJAJCGKZGHG-UHFFFAOYSA-N 1 2 406.442 3.917 20 5 HHBDLO CC[C@H]1C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CCO1 ZINC000428068867 975416318 /nfs/dbraw/zinc/41/63/18/975416318.db2.gz CXBNIPZXJROFBU-SFHVURJKSA-N 1 2 421.563 3.718 20 5 HHBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CCO1 ZINC000428068867 975416323 /nfs/dbraw/zinc/41/63/23/975416323.db2.gz CXBNIPZXJROFBU-SFHVURJKSA-N 1 2 421.563 3.718 20 5 HHBDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)C[C@H](C)O2 ZINC000430864788 977825181 /nfs/dbraw/zinc/82/51/81/977825181.db2.gz ADQWMOMFEUEZAX-SIFCLUCFSA-N 1 2 403.504 3.877 20 5 HHBDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)C[C@H](C)O2 ZINC000430864788 977825185 /nfs/dbraw/zinc/82/51/85/977825185.db2.gz ADQWMOMFEUEZAX-SIFCLUCFSA-N 1 2 403.504 3.877 20 5 HHBDLO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000431524801 978346872 /nfs/dbraw/zinc/34/68/72/978346872.db2.gz RBKPBHZCNUBMIX-UHFFFAOYSA-N 1 2 405.454 3.959 20 5 HHBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(c3ncc(C)s3)CC2)c([N+](=O)[O-])c1 ZINC000433133478 979091552 /nfs/dbraw/zinc/09/15/52/979091552.db2.gz IJRPMGKAYKTIEJ-UHFFFAOYSA-N 1 2 404.492 3.577 20 5 HHBDLO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2[N+](=O)[O-])C1 ZINC000434286914 980047707 /nfs/dbraw/zinc/04/77/07/980047707.db2.gz LFJBEZSTRHADNR-HOTGVXAUSA-N 1 2 411.506 3.820 20 5 HHBDLO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2[N+](=O)[O-])C1 ZINC000434286914 980047716 /nfs/dbraw/zinc/04/77/16/980047716.db2.gz LFJBEZSTRHADNR-HOTGVXAUSA-N 1 2 411.506 3.820 20 5 HHBDLO C[C@H](Nc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000434293549 980053324 /nfs/dbraw/zinc/05/33/24/980053324.db2.gz PXBLTVDMOPFCAU-HNNXBMFYSA-N 1 2 420.473 3.906 20 5 HHBDLO C[C@H](Nc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000434293549 980053333 /nfs/dbraw/zinc/05/33/33/980053333.db2.gz PXBLTVDMOPFCAU-HNNXBMFYSA-N 1 2 420.473 3.906 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000434781380 980395681 /nfs/dbraw/zinc/39/56/81/980395681.db2.gz FMGZGCQBFXMYFV-MJGOQNOKSA-N 1 2 424.284 3.739 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000434781380 980395686 /nfs/dbraw/zinc/39/56/86/980395686.db2.gz FMGZGCQBFXMYFV-MJGOQNOKSA-N 1 2 424.284 3.739 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000434895615 980476617 /nfs/dbraw/zinc/47/66/17/980476617.db2.gz MNABQIFFQZFDNP-OAHLLOKOSA-N 1 2 405.495 3.602 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(OCC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000434907201 980485039 /nfs/dbraw/zinc/48/50/39/980485039.db2.gz QJBNSQOTWFRBEI-HNNXBMFYSA-N 1 2 405.495 3.602 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000435334174 980792789 /nfs/dbraw/zinc/79/27/89/980792789.db2.gz XFVJOWZFSJUJDQ-IBGZPJMESA-N 1 2 401.438 3.662 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000435334174 980792794 /nfs/dbraw/zinc/79/27/94/980792794.db2.gz XFVJOWZFSJUJDQ-IBGZPJMESA-N 1 2 401.438 3.662 20 5 HHBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000436016045 981156771 /nfs/dbraw/zinc/15/67/71/981156771.db2.gz XYLQMSUALNRHBH-UHFFFAOYSA-N 1 2 414.849 3.553 20 5 HHBDLO O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000436363468 981326607 /nfs/dbraw/zinc/32/66/07/981326607.db2.gz GOZDGIMEYJDKQC-GFCCVEGCSA-N 1 2 408.408 3.702 20 5 HHBDLO O=C(NCCCCNc1cccc[nH+]1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436424417 981360644 /nfs/dbraw/zinc/36/06/44/981360644.db2.gz ZWSJSQVPDPUVGF-UHFFFAOYSA-N 1 2 422.435 3.977 20 5 HHBDLO Cc1ccccc1[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000460380645 982159559 /nfs/dbraw/zinc/15/95/59/982159559.db2.gz ABAGSIMHJLBMFD-HRAATJIYSA-N 1 2 406.442 3.691 20 5 HHBDLO O=C(N[C@H]1c2ccccc2CC12CCOCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000461035984 982737185 /nfs/dbraw/zinc/73/71/85/982737185.db2.gz UVXHJKMYRSOOCB-NRFANRHFSA-N 1 2 418.453 3.605 20 5 HHBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000461206637 982920872 /nfs/dbraw/zinc/92/08/72/982920872.db2.gz FZKJFFVWXYVYGG-UHFFFAOYSA-N 1 2 400.460 3.761 20 5 HHBDLO Cc1c(CC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cccc1[N+](=O)[O-] ZINC000438983835 983195074 /nfs/dbraw/zinc/19/50/74/983195074.db2.gz IJMJJYUTAUCCIY-INIZCTEOSA-N 1 2 403.429 3.505 20 5 HHBDLO Cc1c(CC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cccc1[N+](=O)[O-] ZINC000438983835 983195079 /nfs/dbraw/zinc/19/50/79/983195079.db2.gz IJMJJYUTAUCCIY-INIZCTEOSA-N 1 2 403.429 3.505 20 5 HHBDLO CCOc1cc(N2CCC[N@H+](Cc3csc([C@H](C)OC)n3)CC2)ccc1[N+](=O)[O-] ZINC000439594810 983464959 /nfs/dbraw/zinc/46/49/59/983464959.db2.gz LIDMUSBFAWMBHK-HNNXBMFYSA-N 1 2 420.535 3.870 20 5 HHBDLO CCOc1cc(N2CCC[N@@H+](Cc3csc([C@H](C)OC)n3)CC2)ccc1[N+](=O)[O-] ZINC000439594810 983464961 /nfs/dbraw/zinc/46/49/61/983464961.db2.gz LIDMUSBFAWMBHK-HNNXBMFYSA-N 1 2 420.535 3.870 20 5 HHBDLO CN(C(=O)C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000441077898 984058522 /nfs/dbraw/zinc/05/85/22/984058522.db2.gz ZXXHBXOMQZEVMI-NRFANRHFSA-N 1 2 410.861 3.985 20 5 HHBDLO Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000462574807 985522146 /nfs/dbraw/zinc/52/21/46/985522146.db2.gz QYSHAFSHVNXQNN-CYBMUJFWSA-N 1 2 420.878 3.782 20 5 HHBDLO CS(=O)(=O)C[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000463052621 986010875 /nfs/dbraw/zinc/01/08/75/986010875.db2.gz LBLODOSUSREATH-LJQANCHMSA-N 1 2 400.456 3.730 20 5 HHBDLO O=C(C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000443839544 986039530 /nfs/dbraw/zinc/03/95/30/986039530.db2.gz HZRAUPIADSGNIX-SFHVURJKSA-N 1 2 404.426 3.658 20 5 HHBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463120487 986085299 /nfs/dbraw/zinc/08/52/99/986085299.db2.gz WHNOQMYJSJMWAC-UHFFFAOYSA-N 1 2 404.348 3.788 20 5 HHBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463336330 986303430 /nfs/dbraw/zinc/30/34/30/986303430.db2.gz CLEBZTKZSUCYAG-UHFFFAOYSA-N 1 2 418.375 3.831 20 5 HHBDLO O=C(C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000463449174 986429249 /nfs/dbraw/zinc/42/92/49/986429249.db2.gz OJBWMXNJCAQQSL-OAQYLSRUSA-N 1 2 417.893 3.504 20 5 HHBDLO O=C(C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000463449174 986429253 /nfs/dbraw/zinc/42/92/53/986429253.db2.gz OJBWMXNJCAQQSL-OAQYLSRUSA-N 1 2 417.893 3.504 20 5 HHBDLO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000469294904 987011236 /nfs/dbraw/zinc/01/12/36/987011236.db2.gz WHSXPLBDXJJSLV-UHFFFAOYSA-N 1 2 420.416 3.749 20 5 HHBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1sc(Br)cc1[N+](=O)[O-] ZINC000444860532 987016876 /nfs/dbraw/zinc/01/68/76/987016876.db2.gz QUYUGWLCQBTDJU-UHFFFAOYSA-N 1 2 421.276 3.594 20 5 HHBDLO CS(=O)(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)s1 ZINC000469355526 987057295 /nfs/dbraw/zinc/05/72/95/987057295.db2.gz OLDIYQZMGCZVSK-IBGZPJMESA-N 1 2 402.497 3.939 20 5 HHBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2)c1 ZINC000444918667 987066120 /nfs/dbraw/zinc/06/61/20/987066120.db2.gz HCWLLYLLKHWAHC-OAHLLOKOSA-N 1 2 414.462 3.523 20 5 HHBDLO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)cc2[N+](=O)[O-])C1 ZINC000469437241 987123293 /nfs/dbraw/zinc/12/32/93/987123293.db2.gz WLDUYNARUMHVCC-HLIPFELVSA-N 1 2 424.501 3.766 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000469992070 987607306 /nfs/dbraw/zinc/60/73/06/987607306.db2.gz OHGAAUKMOASOCG-UHFFFAOYSA-N 1 2 413.352 3.573 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000469992070 987607313 /nfs/dbraw/zinc/60/73/13/987607313.db2.gz OHGAAUKMOASOCG-UHFFFAOYSA-N 1 2 413.352 3.573 20 5 HHBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000470006558 987618720 /nfs/dbraw/zinc/61/87/20/987618720.db2.gz RIVIBMPESDADGP-UHFFFAOYSA-N 1 2 413.352 3.573 20 5 HHBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000470006558 987618727 /nfs/dbraw/zinc/61/87/27/987618727.db2.gz RIVIBMPESDADGP-UHFFFAOYSA-N 1 2 413.352 3.573 20 5 HHBDLO Cc1cnn(Cc2ccccc2F)c1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000470202065 988125230 /nfs/dbraw/zinc/12/52/30/988125230.db2.gz URGPHUVWYUGLKT-UHFFFAOYSA-N 1 2 420.404 3.725 20 5 HHBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000470548460 988559536 /nfs/dbraw/zinc/55/95/36/988559536.db2.gz IREVGAWZOZCURV-QGZVFWFLSA-N 1 2 401.264 3.970 20 5 HHBDLO COc1cc(C[NH2+]Cc2nc3cc(C)ccc3n2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000470554135 988567965 /nfs/dbraw/zinc/56/79/65/988567965.db2.gz VRGXOUZBXNJSIN-UHFFFAOYSA-N 1 2 420.416 3.732 20 5 HHBDLO Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000464693613 988902420 /nfs/dbraw/zinc/90/24/20/988902420.db2.gz GIMUKNADTYNNIJ-SIKLNZKXSA-N 1 2 420.469 3.987 20 5 HHBDLO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)o1 ZINC000464836496 989079696 /nfs/dbraw/zinc/07/96/96/989079696.db2.gz SDPKSFHPJMZLMG-BLLLJJGKSA-N 1 2 401.419 3.637 20 5 HHBDLO Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)o1 ZINC000464836496 989079702 /nfs/dbraw/zinc/07/97/02/989079702.db2.gz SDPKSFHPJMZLMG-BLLLJJGKSA-N 1 2 401.419 3.637 20 5 HHBDLO CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000481463738 994298531 /nfs/dbraw/zinc/29/85/31/994298531.db2.gz ZENXLGSCJSXZQO-MRXNPFEDSA-N 1 2 411.428 3.838 20 5 HHBDLO CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000481463738 994298545 /nfs/dbraw/zinc/29/85/45/994298545.db2.gz ZENXLGSCJSXZQO-MRXNPFEDSA-N 1 2 411.428 3.838 20 5 HHBDLO COc1c(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cccc1[N+](=O)[O-] ZINC000474384701 995361473 /nfs/dbraw/zinc/36/14/73/995361473.db2.gz MRKFAKUIDSMQIH-UHFFFAOYSA-N 1 2 424.482 3.871 20 5 HHBDLO COc1c(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cccc1[N+](=O)[O-] ZINC000474384701 995361481 /nfs/dbraw/zinc/36/14/81/995361481.db2.gz MRKFAKUIDSMQIH-UHFFFAOYSA-N 1 2 424.482 3.871 20 5 HHBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000482699872 995689927 /nfs/dbraw/zinc/68/99/27/995689927.db2.gz ONKJYQPYNPCEJF-FUHWJXTLSA-N 1 2 407.257 3.868 20 5 HHBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000482699872 995689932 /nfs/dbraw/zinc/68/99/32/995689932.db2.gz ONKJYQPYNPCEJF-FUHWJXTLSA-N 1 2 407.257 3.868 20 5 HHBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)CCO2 ZINC000475292230 996049838 /nfs/dbraw/zinc/04/98/38/996049838.db2.gz SBEFONHPHWDEDO-VFNWGFHPSA-N 1 2 402.422 3.906 20 5 HHBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)CCO2 ZINC000475292230 996049839 /nfs/dbraw/zinc/04/98/39/996049839.db2.gz SBEFONHPHWDEDO-VFNWGFHPSA-N 1 2 402.422 3.906 20 5 HHBDLO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(Cc2ccccc2)no1 ZINC000483645849 996305517 /nfs/dbraw/zinc/30/55/17/996305517.db2.gz LJMXKGDFNTYTQJ-LSDHHAIUSA-N 1 2 409.446 3.637 20 5 HHBDLO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3ccn4cc[nH+]c4c3)cc2[N+](=O)[O-])C1 ZINC000475720339 996322923 /nfs/dbraw/zinc/32/29/23/996322923.db2.gz CCEXZDQVOYEHQN-IYBDPMFKSA-N 1 2 407.474 3.655 20 5 HHBDLO CSc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000485516779 997973302 /nfs/dbraw/zinc/97/33/02/997973302.db2.gz KDTQZWXQSXVPLT-NVXWUHKLSA-N 1 2 407.442 3.770 20 5 HHBDLO CSc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000485516779 997973311 /nfs/dbraw/zinc/97/33/11/997973311.db2.gz KDTQZWXQSXVPLT-NVXWUHKLSA-N 1 2 407.442 3.770 20 5 HHBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000477455794 998163822 /nfs/dbraw/zinc/16/38/22/998163822.db2.gz MQAHTZTZDVUAFG-GJZGRUSLSA-N 1 2 401.438 3.524 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000485767757 998242138 /nfs/dbraw/zinc/24/21/38/998242138.db2.gz TYXUGDDHZFADOO-MRXNPFEDSA-N 1 2 416.909 3.874 20 5 HHBDLO CCc1nc2c(s1)[C@H]([N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CCC2 ZINC000478052469 998737566 /nfs/dbraw/zinc/73/75/66/998737566.db2.gz GDFFIYUHEBAKAH-OAHLLOKOSA-N 1 2 404.492 3.570 20 5 HHBDLO CCc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CCC2 ZINC000478052469 998737568 /nfs/dbraw/zinc/73/75/68/998737568.db2.gz GDFFIYUHEBAKAH-OAHLLOKOSA-N 1 2 404.492 3.570 20 5 HHBDLO COc1cc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c1C ZINC000478565176 999027176 /nfs/dbraw/zinc/02/71/76/999027176.db2.gz WPWKDWVTVUDYEB-UHFFFAOYSA-N 1 2 417.893 3.913 20 5 HHBDLO COc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c1C ZINC000478565176 999027184 /nfs/dbraw/zinc/02/71/84/999027184.db2.gz WPWKDWVTVUDYEB-UHFFFAOYSA-N 1 2 417.893 3.913 20 5 HHBDLO O=C(Nc1cnn(-c2ccc(Cl)cc2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000479241699 999341311 /nfs/dbraw/zinc/34/13/11/999341311.db2.gz JIVNLECDRNALOI-UHFFFAOYSA-N 1 2 408.805 3.872 20 5 HHBDLO CC(C)(c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000479290386 999367983 /nfs/dbraw/zinc/36/79/83/999367983.db2.gz XKROAGUUCWGZGO-UHFFFAOYSA-N 1 2 408.458 3.803 20 5 HHBDLO CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000479655458 999522952 /nfs/dbraw/zinc/52/29/52/999522952.db2.gz MHFCZUDZUKVKIL-BFUOFWGJSA-N 1 2 414.849 3.940 20 5 HHBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000479734757 999562588 /nfs/dbraw/zinc/56/25/88/999562588.db2.gz OJCBLLTTYRLWMO-FQEVSTJZSA-N 1 2 407.474 3.957 20 5 HHBDLO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000479788139 999593405 /nfs/dbraw/zinc/59/34/05/999593405.db2.gz XUOSSGNEGYVLHJ-GESALYCCSA-N 1 2 404.417 3.679 20 5 HHBDLO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000479788139 999593407 /nfs/dbraw/zinc/59/34/07/999593407.db2.gz XUOSSGNEGYVLHJ-GESALYCCSA-N 1 2 404.417 3.679 20 5 HHBDLO Cc1c(NC(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000479956269 999662331 /nfs/dbraw/zinc/66/23/31/999662331.db2.gz BCFUUUGBUIXYNJ-QGZVFWFLSA-N 1 2 412.490 3.658 20 5 HHBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)no1 ZINC000480229802 999751406 /nfs/dbraw/zinc/75/14/06/999751406.db2.gz VEOKSYRSOCPOAL-CQSZACIVSA-N 1 2 413.400 3.796 20 5 HHBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)no1 ZINC000480229802 999751410 /nfs/dbraw/zinc/75/14/10/999751410.db2.gz VEOKSYRSOCPOAL-CQSZACIVSA-N 1 2 413.400 3.796 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000489932080 999865227 /nfs/dbraw/zinc/86/52/27/999865227.db2.gz ZEDURNILRLDBGI-HKUYNNGSSA-N 1 2 418.444 3.853 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000489932080 999865229 /nfs/dbraw/zinc/86/52/29/999865229.db2.gz ZEDURNILRLDBGI-HKUYNNGSSA-N 1 2 418.444 3.853 20 5 HHBDLO O=C(C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1)Nc1ccccc1[N+](=O)[O-] ZINC000490013246 999877734 /nfs/dbraw/zinc/87/77/34/999877734.db2.gz CHHVWMMXLPWCPN-AWEZNQCLSA-N 1 2 400.504 3.748 20 5 HHBDLO O=C(C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1)Nc1ccccc1[N+](=O)[O-] ZINC000490013246 999877738 /nfs/dbraw/zinc/87/77/38/999877738.db2.gz CHHVWMMXLPWCPN-AWEZNQCLSA-N 1 2 400.504 3.748 20 5 HHBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCC(OCc2ccccc2)CC1 ZINC000490208661 999910845 /nfs/dbraw/zinc/91/08/45/999910845.db2.gz XPZBXZSLXCHMHN-UHFFFAOYSA-N 1 2 423.513 3.767 20 5 HHBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCC(OCc2ccccc2)CC1 ZINC000490208661 999910848 /nfs/dbraw/zinc/91/08/48/999910848.db2.gz XPZBXZSLXCHMHN-UHFFFAOYSA-N 1 2 423.513 3.767 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000491243555 1000058190 /nfs/dbraw/zinc/05/81/90/1000058190.db2.gz MUFXERGZICAQDB-HXUWFJFHSA-N 1 2 401.438 3.753 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000491243555 1000058193 /nfs/dbraw/zinc/05/81/93/1000058193.db2.gz MUFXERGZICAQDB-HXUWFJFHSA-N 1 2 401.438 3.753 20 5 HHBDLO CCOc1cc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000492466932 1000128387 /nfs/dbraw/zinc/12/83/87/1000128387.db2.gz ZVQAPPGZCWCHDB-UHFFFAOYSA-N 1 2 417.893 3.995 20 5 HHBDLO CCOc1cc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000492466932 1000128388 /nfs/dbraw/zinc/12/83/88/1000128388.db2.gz ZVQAPPGZCWCHDB-UHFFFAOYSA-N 1 2 417.893 3.995 20 5 HHBDLO CCOc1cc(C[NH2+][C@@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000492721057 1000140971 /nfs/dbraw/zinc/14/09/71/1000140971.db2.gz JMUUNJBSAPXPOX-GOSISDBHSA-N 1 2 411.380 3.503 20 5 HHBDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000493046425 1000155379 /nfs/dbraw/zinc/15/53/79/1000155379.db2.gz DEDRQLHOTJLUKR-HXUWFJFHSA-N 1 2 412.490 3.582 20 5 HHBDLO CCOc1cc(C[NH+]2CCN(c3ncnc4sc(C)cc43)CC2)ccc1[N+](=O)[O-] ZINC000493551318 1000178918 /nfs/dbraw/zinc/17/89/18/1000178918.db2.gz RVWXCNWISSENSD-UHFFFAOYSA-N 1 2 413.503 3.629 20 5 HHBDLO COc1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c(SC)cc1OC ZINC000505604991 1000930509 /nfs/dbraw/zinc/93/05/09/1000930509.db2.gz CKWSPSLZEFLYHF-UHFFFAOYSA-N 1 2 403.504 3.656 20 5 HHBDLO C[C@H]1C[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000505770364 1001014367 /nfs/dbraw/zinc/01/43/67/1001014367.db2.gz AQUASGLOCMTRNA-HOTGVXAUSA-N 1 2 414.531 3.807 20 5 HHBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000505924715 1001105400 /nfs/dbraw/zinc/10/54/00/1001105400.db2.gz JYIATMNHSGAMNI-UHFFFAOYSA-N 1 2 405.545 3.947 20 5 HHBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000505924715 1001105405 /nfs/dbraw/zinc/10/54/05/1001105405.db2.gz JYIATMNHSGAMNI-UHFFFAOYSA-N 1 2 405.545 3.947 20 5 HHBDLO O=C(NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000506121191 1001232923 /nfs/dbraw/zinc/23/29/23/1001232923.db2.gz ULJMDOQCYNQNEH-UHFFFAOYSA-N 1 2 412.471 3.706 20 5 HHBDLO COc1cc(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000506281859 1001326700 /nfs/dbraw/zinc/32/67/00/1001326700.db2.gz MVBYTIPXVVVAIP-UHFFFAOYSA-N 1 2 419.909 3.973 20 5 HHBDLO COc1cc(C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000506281859 1001326712 /nfs/dbraw/zinc/32/67/12/1001326712.db2.gz MVBYTIPXVVVAIP-UHFFFAOYSA-N 1 2 419.909 3.973 20 5 HHBDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c(OC)c1 ZINC000506722223 1001505399 /nfs/dbraw/zinc/50/53/99/1001505399.db2.gz QSJIQDHCCOSZML-KRWDZBQOSA-N 1 2 402.447 3.966 20 5 HHBDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c(OC)c1 ZINC000506722223 1001505402 /nfs/dbraw/zinc/50/54/02/1001505402.db2.gz QSJIQDHCCOSZML-KRWDZBQOSA-N 1 2 402.447 3.966 20 5 HHBDLO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1OC ZINC000506911171 1001590376 /nfs/dbraw/zinc/59/03/76/1001590376.db2.gz JXDAWQMCNRYKHB-UHFFFAOYSA-N 1 2 420.491 3.697 20 5 HHBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000507290770 1001974503 /nfs/dbraw/zinc/97/45/03/1001974503.db2.gz KTZZPRHBFPRFIL-HNNXBMFYSA-N 1 2 402.520 3.925 20 5 HHBDLO C[S@](=O)C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000508676862 1003115067 /nfs/dbraw/zinc/11/50/67/1003115067.db2.gz JSBXBEOPPVBSAS-MYUZEXMDSA-N 1 2 401.513 3.928 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000500022691 1003349150 /nfs/dbraw/zinc/34/91/50/1003349150.db2.gz OWJNQBOTEURHKA-QAPCUYQASA-N 1 2 406.845 3.535 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000500022691 1003349153 /nfs/dbraw/zinc/34/91/53/1003349153.db2.gz OWJNQBOTEURHKA-QAPCUYQASA-N 1 2 406.845 3.535 20 5 HHBDLO CC[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1OCC(=O)N(C)C ZINC000508976352 1003448764 /nfs/dbraw/zinc/44/87/64/1003448764.db2.gz IQMMEBSCLSHWQM-GOSISDBHSA-N 1 2 407.417 3.581 20 5 HHBDLO CCOc1ccc(C2=CC[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2)cc1 ZINC000509465058 1003882727 /nfs/dbraw/zinc/88/27/27/1003882727.db2.gz QQSRGOLZKGFVJK-UHFFFAOYSA-N 1 2 407.470 3.672 20 5 HHBDLO CCOc1ccc(C2=CC[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2)cc1 ZINC000509465058 1003882741 /nfs/dbraw/zinc/88/27/41/1003882741.db2.gz QQSRGOLZKGFVJK-UHFFFAOYSA-N 1 2 407.470 3.672 20 5 HHBDLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C)O1 ZINC000512070780 1004000219 /nfs/dbraw/zinc/00/02/19/1004000219.db2.gz HJYGHHIOVLFCEY-QINHECLXSA-N 1 2 416.547 3.792 20 5 HHBDLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C)O1 ZINC000512070780 1004000225 /nfs/dbraw/zinc/00/02/25/1004000225.db2.gz HJYGHHIOVLFCEY-QINHECLXSA-N 1 2 416.547 3.792 20 5 HHBDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509672137 1004019752 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/nfs/dbraw/zinc/71/37/40/1007713740.db2.gz UJNAQQJBACZMPA-UHFFFAOYSA-N 1 2 412.471 3.904 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533682482 1008005334 /nfs/dbraw/zinc/00/53/34/1008005334.db2.gz SWXIFNGRSRGVPD-AZUAARDMSA-N 1 2 405.857 3.882 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533682482 1008005339 /nfs/dbraw/zinc/00/53/39/1008005339.db2.gz SWXIFNGRSRGVPD-AZUAARDMSA-N 1 2 405.857 3.882 20 5 HHBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c(C)c1 ZINC000536063146 1008092427 /nfs/dbraw/zinc/09/24/27/1008092427.db2.gz XETHVMUCLRJMJD-NRFANRHFSA-N 1 2 419.485 3.917 20 5 HHBDLO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)cccc1[N+](=O)[O-] ZINC000536069100 1008097382 /nfs/dbraw/zinc/09/73/82/1008097382.db2.gz VBZXCMOUIJDXRU-LJQANCHMSA-N 1 2 420.473 3.854 20 5 HHBDLO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)cccc1[N+](=O)[O-] ZINC000536069100 1008097389 /nfs/dbraw/zinc/09/73/89/1008097389.db2.gz VBZXCMOUIJDXRU-LJQANCHMSA-N 1 2 420.473 3.854 20 5 HHBDLO CC[C@@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](CC)CN1C(C)=O ZINC000539849795 1008138882 /nfs/dbraw/zinc/13/88/82/1008138882.db2.gz MGJASZYTLPOYIL-ZWKOTPCHSA-N 1 2 402.520 3.940 20 5 HHBDLO CC[C@@H]1C[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](CC)CN1C(C)=O ZINC000539849795 1008138888 /nfs/dbraw/zinc/13/88/88/1008138888.db2.gz MGJASZYTLPOYIL-ZWKOTPCHSA-N 1 2 402.520 3.940 20 5 HHBDLO CC[C@@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](CC)CN1C(C)=O ZINC000539849791 1008138926 /nfs/dbraw/zinc/13/89/26/1008138926.db2.gz MGJASZYTLPOYIL-QZTJIDSGSA-N 1 2 402.520 3.940 20 5 HHBDLO CC[C@@H]1C[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](CC)CN1C(C)=O ZINC000539849791 1008138930 /nfs/dbraw/zinc/13/89/30/1008138930.db2.gz MGJASZYTLPOYIL-QZTJIDSGSA-N 1 2 402.520 3.940 20 5 HHBDLO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)ccc2NC1=O ZINC000540458778 1008440345 /nfs/dbraw/zinc/44/03/45/1008440345.db2.gz PPAMGWPLTCWPIE-SJCJKPOMSA-N 1 2 423.429 3.605 20 5 HHBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCCCNc1cccc[nH+]1 ZINC000519083554 1008524126 /nfs/dbraw/zinc/52/41/26/1008524126.db2.gz WVWWRBFGEUIAAG-UHFFFAOYSA-N 1 2 400.482 3.558 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000549145935 1008714574 /nfs/dbraw/zinc/71/45/74/1008714574.db2.gz CSABDLWYNYRJPK-UHFFFAOYSA-N 1 2 412.465 3.508 20 5 HHBDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549402121 1008989397 /nfs/dbraw/zinc/98/93/97/1008989397.db2.gz NRACZSPZUGQARX-UHFFFAOYSA-N 1 2 409.364 3.698 20 5 HHBDLO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543397920 1008989278 /nfs/dbraw/zinc/98/92/78/1008989278.db2.gz KKBZUNDWQULGMS-UHFFFAOYSA-N 1 2 411.911 3.615 20 5 HHBDLO C[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000543521216 1009112653 /nfs/dbraw/zinc/11/26/53/1009112653.db2.gz JOLTVTIJTBNSHY-CABCVRRESA-N 1 2 403.429 3.882 20 5 HHBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CCOCC2(CCC2)C1 ZINC000546103669 1009127068 /nfs/dbraw/zinc/12/70/68/1009127068.db2.gz GOARCXIYPZMOEN-AWEZNQCLSA-N 1 2 416.503 3.548 20 5 HHBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CCOCC2(CCC2)C1 ZINC000546103669 1009127071 /nfs/dbraw/zinc/12/70/71/1009127071.db2.gz GOARCXIYPZMOEN-AWEZNQCLSA-N 1 2 416.503 3.548 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000549550054 1009168183 /nfs/dbraw/zinc/16/81/83/1009168183.db2.gz GCQBJNSWDPQDKE-IBGZPJMESA-N 1 2 410.430 3.617 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000549550054 1009168193 /nfs/dbraw/zinc/16/81/93/1009168193.db2.gz GCQBJNSWDPQDKE-IBGZPJMESA-N 1 2 410.430 3.617 20 5 HHBDLO Cc1c(Cl)cc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000543691399 1009300284 /nfs/dbraw/zinc/30/02/84/1009300284.db2.gz RQOKMJPZLSDZKD-UHFFFAOYSA-N 1 2 409.773 3.709 20 5 HHBDLO O=[N+]([O-])c1ccc2[nH]cc(Cc3nc(-c4ccccc4C[NH+]4CCOCC4)no3)c2c1 ZINC000546297754 1009315789 /nfs/dbraw/zinc/31/57/89/1009315789.db2.gz GSXHUPISDCTVOB-UHFFFAOYSA-N 1 2 419.441 3.549 20 5 HHBDLO Cc1c(Br)c(NCc2ccc(-n3cc[nH+]c3)c(F)c2)ncc1[N+](=O)[O-] ZINC000544410652 1010029356 /nfs/dbraw/zinc/02/93/56/1010029356.db2.gz YHDQSIZFSKPTDB-UHFFFAOYSA-N 1 2 406.215 3.998 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000544464388 1010088195 /nfs/dbraw/zinc/08/81/95/1010088195.db2.gz QGDMYEKIGXGHSN-KGLIPLIRSA-N 1 2 410.430 3.936 20 5 HHBDLO C[C@@H]1CCCN(c2ccc(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)cc2[N+](=O)[O-])C1 ZINC000522375275 1010965983 /nfs/dbraw/zinc/96/59/83/1010965983.db2.gz LWWGRCXFJZPYNH-QGZVFWFLSA-N 1 2 419.485 3.947 20 5 HHBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000522733786 1011183921 /nfs/dbraw/zinc/18/39/21/1011183921.db2.gz OOYYIFZMDQIMQL-AWEZNQCLSA-N 1 2 423.847 3.850 20 5 HHBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000522733786 1011183924 /nfs/dbraw/zinc/18/39/24/1011183924.db2.gz OOYYIFZMDQIMQL-AWEZNQCLSA-N 1 2 423.847 3.850 20 5 HHBDLO O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000522751035 1011194306 /nfs/dbraw/zinc/19/43/06/1011194306.db2.gz GONMRUKROWYEPT-UHFFFAOYSA-N 1 2 419.363 3.641 20 5 HHBDLO C[C@@H](Nc1ccc(C(=O)NCCCNc2cccc[nH+]2)cc1[N+](=O)[O-])c1ccccn1 ZINC000522866706 1011307963 /nfs/dbraw/zinc/30/79/63/1011307963.db2.gz OOPSTAZNELDFTD-MRXNPFEDSA-N 1 2 420.473 3.790 20 5 HHBDLO C[C@@H](Nc1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000523048821 1011518167 /nfs/dbraw/zinc/51/81/67/1011518167.db2.gz FWVNWVRPYHJHTJ-OAHLLOKOSA-N 1 2 420.473 3.906 20 5 HHBDLO Cc1ccc2[nH]c([C@H]3CCC[N@H+](CC(=O)Nc4ccc([N+](=O)[O-])cc4C)C3)nc2c1 ZINC000536470244 1011688718 /nfs/dbraw/zinc/68/87/18/1011688718.db2.gz AULGEWKAELBLHF-INIZCTEOSA-N 1 2 407.474 3.906 20 5 HHBDLO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CC(=O)Nc4ccc([N+](=O)[O-])cc4C)C3)nc2c1 ZINC000536470244 1011688727 /nfs/dbraw/zinc/68/87/27/1011688727.db2.gz AULGEWKAELBLHF-INIZCTEOSA-N 1 2 407.474 3.906 20 5 HHBDLO Cc1ccc2nc([C@H]3CCC[N@H+](CC(=O)Nc4ccc([N+](=O)[O-])cc4C)C3)[nH]c2c1 ZINC000536470244 1011688735 /nfs/dbraw/zinc/68/87/35/1011688735.db2.gz AULGEWKAELBLHF-INIZCTEOSA-N 1 2 407.474 3.906 20 5 HHBDLO Cc1ccc2nc([C@H]3CCC[N@@H+](CC(=O)Nc4ccc([N+](=O)[O-])cc4C)C3)[nH]c2c1 ZINC000536470244 1011688745 /nfs/dbraw/zinc/68/87/45/1011688745.db2.gz AULGEWKAELBLHF-INIZCTEOSA-N 1 2 407.474 3.906 20 5 HHBDLO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000536744639 1011928223 /nfs/dbraw/zinc/92/82/23/1011928223.db2.gz KUPLYOCTYCDVIO-UHFFFAOYSA-N 1 2 407.474 3.783 20 5 HHBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)cc1 ZINC000541283187 1011976113 /nfs/dbraw/zinc/97/61/13/1011976113.db2.gz ZEBVBLVIJRWOSX-QGZVFWFLSA-N 1 2 408.907 3.729 20 5 HHBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)cc1 ZINC000541283187 1011976125 /nfs/dbraw/zinc/97/61/25/1011976125.db2.gz ZEBVBLVIJRWOSX-QGZVFWFLSA-N 1 2 408.907 3.729 20 5 HHBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000523549664 1012085445 /nfs/dbraw/zinc/08/54/45/1012085445.db2.gz VYWPONXZOUXIOB-KRWDZBQOSA-N 1 2 411.502 3.786 20 5 HHBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1cccc(-n2cc[nH+]c2)c1 ZINC000541422433 1012167698 /nfs/dbraw/zinc/16/76/98/1012167698.db2.gz DMXPLXOPCLMFTA-UHFFFAOYSA-N 1 2 402.863 3.842 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536917663 1012193622 /nfs/dbraw/zinc/19/36/22/1012193622.db2.gz XCSKRNRTFJYIOZ-PKOBYXMFSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536917663 1012193635 /nfs/dbraw/zinc/19/36/35/1012193635.db2.gz XCSKRNRTFJYIOZ-PKOBYXMFSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000536917340 1012193820 /nfs/dbraw/zinc/19/38/20/1012193820.db2.gz VMKQXMYIFKRHEL-OXJNMPFZSA-N 1 2 421.856 3.718 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000536917340 1012193832 /nfs/dbraw/zinc/19/38/32/1012193832.db2.gz VMKQXMYIFKRHEL-OXJNMPFZSA-N 1 2 421.856 3.718 20 5 HHBDLO Cc1ccc2[nH]c([C@H]3CCC[N@H+](CC(=O)Nc4cc([N+](=O)[O-])ccc4C)C3)nc2c1 ZINC000537016969 1012318130 /nfs/dbraw/zinc/31/81/30/1012318130.db2.gz BVPYASDFFUAWGJ-INIZCTEOSA-N 1 2 407.474 3.906 20 5 HHBDLO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CC(=O)Nc4cc([N+](=O)[O-])ccc4C)C3)nc2c1 ZINC000537016969 1012318150 /nfs/dbraw/zinc/31/81/50/1012318150.db2.gz BVPYASDFFUAWGJ-INIZCTEOSA-N 1 2 407.474 3.906 20 5 HHBDLO Cc1ccc2nc([C@H]3CCC[N@H+](CC(=O)Nc4cc([N+](=O)[O-])ccc4C)C3)[nH]c2c1 ZINC000537016969 1012318166 /nfs/dbraw/zinc/31/81/66/1012318166.db2.gz BVPYASDFFUAWGJ-INIZCTEOSA-N 1 2 407.474 3.906 20 5 HHBDLO Cc1ccc2nc([C@H]3CCC[N@@H+](CC(=O)Nc4cc([N+](=O)[O-])ccc4C)C3)[nH]c2c1 ZINC000537016969 1012318182 /nfs/dbraw/zinc/31/81/82/1012318182.db2.gz BVPYASDFFUAWGJ-INIZCTEOSA-N 1 2 407.474 3.906 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000537031002 1012344274 /nfs/dbraw/zinc/34/42/74/1012344274.db2.gz RZDDBGBWZGCPDH-UHFFFAOYSA-N 1 2 421.544 3.561 20 5 HHBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000523769000 1012402743 /nfs/dbraw/zinc/40/27/43/1012402743.db2.gz DOXYTCOPVITBMM-UHFFFAOYSA-N 1 2 403.345 3.704 20 5 HHBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000537246793 1012691206 /nfs/dbraw/zinc/69/12/06/1012691206.db2.gz RQARVSJBLHCGPB-UHFFFAOYSA-N 1 2 407.415 3.507 20 5 HHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(O)(C(F)(F)F)CC2)cc1OC ZINC000541986351 1012861614 /nfs/dbraw/zinc/86/16/14/1012861614.db2.gz GUXRFLDRJPXYJQ-CYBMUJFWSA-N 1 2 420.428 3.918 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542041224 1012943134 /nfs/dbraw/zinc/94/31/34/1012943134.db2.gz GRLLNMXGZYIRLJ-LPHOPBHVSA-N 1 2 422.407 3.647 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542041224 1012943141 /nfs/dbraw/zinc/94/31/41/1012943141.db2.gz GRLLNMXGZYIRLJ-LPHOPBHVSA-N 1 2 422.407 3.647 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542093628 1013022152 /nfs/dbraw/zinc/02/21/52/1013022152.db2.gz NWGQYLLSEAVTKE-GHTZIAJQSA-N 1 2 421.419 3.896 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542093628 1013022166 /nfs/dbraw/zinc/02/21/66/1013022166.db2.gz NWGQYLLSEAVTKE-GHTZIAJQSA-N 1 2 421.419 3.896 20 5 HHBDLO CSc1cnn(-c2ccccc2)c1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001127047738 1072222693 /nfs/dbraw/zinc/22/26/93/1072222693.db2.gz JIIAFBWJQABYGJ-UHFFFAOYSA-N 1 2 420.454 3.940 20 5 HHBDLO CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1(C)C ZINC001126843156 1072720796 /nfs/dbraw/zinc/72/07/96/1072720796.db2.gz HIFUXJURDZEYHU-RTBURBONSA-N 1 2 400.479 3.836 20 5 HHBDLO COc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000571810637 1072860940 /nfs/dbraw/zinc/86/09/40/1072860940.db2.gz MQGBKHOHQMUMJS-BEFAXECRSA-N 1 2 412.433 3.781 20 5 HHBDLO COc1cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000571810637 1072860949 /nfs/dbraw/zinc/86/09/49/1072860949.db2.gz MQGBKHOHQMUMJS-BEFAXECRSA-N 1 2 412.433 3.781 20 5 HHBDLO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000571984857 1072963334 /nfs/dbraw/zinc/96/33/34/1072963334.db2.gz XFEZNBBTWIFGJD-HNNXBMFYSA-N 1 2 418.291 3.793 20 5 HHBDLO CC[C@H]1Cc2c(Br)cccc2C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000571984857 1072963341 /nfs/dbraw/zinc/96/33/41/1072963341.db2.gz XFEZNBBTWIFGJD-HNNXBMFYSA-N 1 2 418.291 3.793 20 5 HHBDLO O=C1NCCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1Cc1ccccc1 ZINC000590374595 1073775436 /nfs/dbraw/zinc/77/54/36/1073775436.db2.gz AWUCCZLANHHSGJ-FQEVSTJZSA-N 1 2 422.510 3.652 20 5 HHBDLO O=C1NCCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1Cc1ccccc1 ZINC000590374595 1073775441 /nfs/dbraw/zinc/77/54/41/1073775441.db2.gz AWUCCZLANHHSGJ-FQEVSTJZSA-N 1 2 422.510 3.652 20 5 HHBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000760920186 1074658611 /nfs/dbraw/zinc/65/86/11/1074658611.db2.gz HCUJZRZFNVGDCL-UHFFFAOYSA-N 1 2 409.284 3.669 20 5 HHBDLO COc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000760927619 1074687200 /nfs/dbraw/zinc/68/72/00/1074687200.db2.gz LHIBPVSMASMJEZ-CYBMUJFWSA-N 1 2 403.866 3.685 20 5 HHBDLO COc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000760927619 1074687202 /nfs/dbraw/zinc/68/72/02/1074687202.db2.gz LHIBPVSMASMJEZ-CYBMUJFWSA-N 1 2 403.866 3.685 20 5 HHBDLO O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(Cc4c[nH+]cn4Cc4ccccc4)n3)c2c1 ZINC000573965769 1074745635 /nfs/dbraw/zinc/74/56/35/1074745635.db2.gz HCSMCDKGIOSCSY-UHFFFAOYSA-N 1 2 414.425 3.886 20 5 HHBDLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc([N+](=O)[O-])ccn1)CC2 ZINC001164664469 719345490 /nfs/dbraw/zinc/34/54/90/719345490.db2.gz UYGVEPNNYBZMOG-UHFFFAOYSA-N 1 2 418.501 3.685 20 5 HHBDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc([N+](=O)[O-])ccn1)CC2 ZINC001164664469 719345493 /nfs/dbraw/zinc/34/54/93/719345493.db2.gz UYGVEPNNYBZMOG-UHFFFAOYSA-N 1 2 418.501 3.685 20 5 HHBDLO C[NH+](C)[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000301700583 971033392 /nfs/dbraw/zinc/03/33/92/971033392.db2.gz SFDJZVIVDDWUAB-ZDUSSCGKSA-N 1 2 401.211 3.745 20 5 HHBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000301727347 971044019 /nfs/dbraw/zinc/04/40/19/971044019.db2.gz BAMSMPGIXPGPMI-UHFFFAOYSA-N 1 2 421.288 3.657 20 5 HHBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000301727347 971044030 /nfs/dbraw/zinc/04/40/30/971044030.db2.gz BAMSMPGIXPGPMI-UHFFFAOYSA-N 1 2 421.288 3.657 20 5 HHBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301938919 971125508 /nfs/dbraw/zinc/12/55/08/971125508.db2.gz SKGPMNNOKYIOTG-GFCCVEGCSA-N 1 2 409.259 3.775 20 5 HHBDLO COc1cc(F)c([N+](=O)[O-])c(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000301977486 971139588 /nfs/dbraw/zinc/13/95/88/971139588.db2.gz NECKAKDGYGCZAO-ROUUACIJSA-N 1 2 409.845 3.880 20 5 HHBDLO COc1cc(F)c([N+](=O)[O-])c(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000301977486 971139592 /nfs/dbraw/zinc/13/95/92/971139592.db2.gz NECKAKDGYGCZAO-ROUUACIJSA-N 1 2 409.845 3.880 20 5 HHBDLO COc1ccc(C[NH+]2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)cc1F ZINC000302220148 971211064 /nfs/dbraw/zinc/21/10/64/971211064.db2.gz FIBDSKHQZAASHE-UHFFFAOYSA-N 1 2 424.270 3.827 20 5 HHBDLO O=C(N[C@H](c1nccs1)c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000303196638 971554640 /nfs/dbraw/zinc/55/46/40/971554640.db2.gz KWLXBFMKDRVMKT-SFHVURJKSA-N 1 2 405.439 3.756 20 5 HHBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc(N2CCCCC2)nc1 ZINC000537565008 1013101646 /nfs/dbraw/zinc/10/16/46/1013101646.db2.gz RTZYPPQKIMSKRV-UHFFFAOYSA-N 1 2 409.490 3.583 20 5 HHBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc(N2CCCCC2)nc1 ZINC000537565008 1013101691 /nfs/dbraw/zinc/10/16/91/1013101691.db2.gz RTZYPPQKIMSKRV-UHFFFAOYSA-N 1 2 409.490 3.583 20 5 HHBDLO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303454952 971757507 /nfs/dbraw/zinc/75/75/07/971757507.db2.gz FWZGUMXCKRKCOW-QGZVFWFLSA-N 1 2 405.857 3.711 20 5 HHBDLO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303454952 971757512 /nfs/dbraw/zinc/75/75/12/971757512.db2.gz FWZGUMXCKRKCOW-QGZVFWFLSA-N 1 2 405.857 3.711 20 5 HHBDLO CCO[C@H](C)c1nc(CN2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000537622081 1013169665 /nfs/dbraw/zinc/16/96/65/1013169665.db2.gz OISZWCFKTVGKBB-DBWMJRBXSA-N 1 2 416.547 3.980 20 5 HHBDLO CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000553232715 1013197732 /nfs/dbraw/zinc/19/77/32/1013197732.db2.gz ZUEAZXJWPNQMNW-MRXNPFEDSA-N 1 2 410.430 3.679 20 5 HHBDLO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000008004227 961396438 /nfs/dbraw/zinc/39/64/38/961396438.db2.gz HJYRFUYOFCZWQK-UHFFFAOYSA-N 1 2 416.865 3.537 20 5 HHBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC000016263525 962997171 /nfs/dbraw/zinc/99/71/71/962997171.db2.gz YBSNWZYVBJEJKL-UHFFFAOYSA-N 1 2 415.519 3.501 20 5 HHBDLO COc1cc(C[N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1OC(F)F ZINC000023820148 963893543 /nfs/dbraw/zinc/89/35/43/963893543.db2.gz VHYVJURGSRPWAK-UHFFFAOYSA-N 1 2 420.372 3.887 20 5 HHBDLO COc1cc(C[N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1OC(F)F ZINC000023820148 963893546 /nfs/dbraw/zinc/89/35/46/963893546.db2.gz VHYVJURGSRPWAK-UHFFFAOYSA-N 1 2 420.372 3.887 20 5 HHBDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 ZINC000025556439 964305754 /nfs/dbraw/zinc/30/57/54/964305754.db2.gz FZNKZXRJSOEGDA-CVEARBPZSA-N 1 2 416.909 3.636 20 5 HHBDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050315149 964307987 /nfs/dbraw/zinc/30/79/87/964307987.db2.gz IJXBYGXOLFRMSW-UHFFFAOYSA-N 1 2 409.471 3.512 20 5 HHBDLO O=C(CCn1cc[nH+]c1)Nc1cccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000553681553 1013542921 /nfs/dbraw/zinc/54/29/21/1013542921.db2.gz RZTRDKWTMYLTCV-UHFFFAOYSA-N 1 2 404.386 3.537 20 5 HHBDLO O=C(C[N@H+](Cc1ccc(Cl)cc1)C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000053128173 965068449 /nfs/dbraw/zinc/06/84/49/965068449.db2.gz NSXFKIWOYPTGEC-UHFFFAOYSA-N 1 2 403.822 3.580 20 5 HHBDLO O=C(C[N@@H+](Cc1ccc(Cl)cc1)C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000053128173 965068459 /nfs/dbraw/zinc/06/84/59/965068459.db2.gz NSXFKIWOYPTGEC-UHFFFAOYSA-N 1 2 403.822 3.580 20 5 HHBDLO CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000058297453 965679208 /nfs/dbraw/zinc/67/92/08/965679208.db2.gz NKJQMBUJOSLDIA-AWEZNQCLSA-N 1 2 424.482 3.563 20 5 HHBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H](C)O1 ZINC000058424979 965727443 /nfs/dbraw/zinc/72/74/43/965727443.db2.gz BAQAPJAEZKGRRV-GASCZTMLSA-N 1 2 408.458 3.938 20 5 HHBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H](C)O1 ZINC000058424979 965727447 /nfs/dbraw/zinc/72/74/47/965727447.db2.gz BAQAPJAEZKGRRV-GASCZTMLSA-N 1 2 408.458 3.938 20 5 HHBDLO O=C(NCCOc1ccc(C(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000059309227 966012782 /nfs/dbraw/zinc/01/27/82/966012782.db2.gz TXCMKDFQPPHQNN-UHFFFAOYSA-N 1 2 420.347 3.608 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000032246069 966205057 /nfs/dbraw/zinc/20/50/57/966205057.db2.gz AVAYUKZWZYCUGC-MRXNPFEDSA-N 1 2 417.425 3.942 20 5 HHBDLO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000061018282 966351453 /nfs/dbraw/zinc/35/14/53/966351453.db2.gz GOMRYIHVEQCWNZ-IBGZPJMESA-N 1 2 422.529 3.544 20 5 HHBDLO CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000061019423 966351952 /nfs/dbraw/zinc/35/19/52/966351952.db2.gz OXYHBSWVZMTIAS-UHFFFAOYSA-N 1 2 410.518 3.544 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000041886353 966660390 /nfs/dbraw/zinc/66/03/90/966660390.db2.gz QJYYEDRMDVVFCK-VMPITWQZSA-N 1 2 408.502 3.563 20 5 HHBDLO COc1cccc(C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]2CCCO2)c1 ZINC000064400185 967172642 /nfs/dbraw/zinc/17/26/42/967172642.db2.gz DBKUHPWROUWFIY-FQEVSTJZSA-N 1 2 424.457 3.835 20 5 HHBDLO COc1cccc(C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]2CCCO2)c1 ZINC000064400185 967172646 /nfs/dbraw/zinc/17/26/46/967172646.db2.gz DBKUHPWROUWFIY-FQEVSTJZSA-N 1 2 424.457 3.835 20 5 HHBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccc(F)c(F)c1 ZINC000044437979 967216149 /nfs/dbraw/zinc/21/61/49/967216149.db2.gz XYPUXLNWQQJWKE-UHFFFAOYSA-N 1 2 414.206 3.706 20 5 HHBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccc(F)c(F)c1 ZINC000044437979 967216156 /nfs/dbraw/zinc/21/61/56/967216156.db2.gz XYPUXLNWQQJWKE-UHFFFAOYSA-N 1 2 414.206 3.706 20 5 HHBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064935713 967330590 /nfs/dbraw/zinc/33/05/90/967330590.db2.gz DPORDRGJWXYYHA-UHFFFAOYSA-N 1 2 423.429 3.973 20 5 HHBDLO O=C(C[N@H+](Cc1cccc(Br)c1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000046600169 967875399 /nfs/dbraw/zinc/87/53/99/967875399.db2.gz XTVSPNMATYMUAS-UHFFFAOYSA-N 1 2 404.264 3.960 20 5 HHBDLO O=C(C[N@@H+](Cc1cccc(Br)c1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000046600169 967875401 /nfs/dbraw/zinc/87/54/01/967875401.db2.gz XTVSPNMATYMUAS-UHFFFAOYSA-N 1 2 404.264 3.960 20 5 HHBDLO O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000046744150 967949249 /nfs/dbraw/zinc/94/92/49/967949249.db2.gz SZMZIPZMEGHLNO-UHFFFAOYSA-N 1 2 406.320 3.974 20 5 HHBDLO O=C(Nc1cccc(Cl)c1-n1cccn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000046776082 967961114 /nfs/dbraw/zinc/96/11/14/967961114.db2.gz CMXFIHVQHYPYMY-UHFFFAOYSA-N 1 2 408.805 3.872 20 5 HHBDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(OC)c1 ZINC000047406689 968178521 /nfs/dbraw/zinc/17/85/21/968178521.db2.gz VBDUDEIYQBHBDD-GOSISDBHSA-N 1 2 410.430 3.999 20 5 HHBDLO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(OC)c1 ZINC000047406689 968178529 /nfs/dbraw/zinc/17/85/29/968178529.db2.gz VBDUDEIYQBHBDD-GOSISDBHSA-N 1 2 410.430 3.999 20 5 HHBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047866194 968347044 /nfs/dbraw/zinc/34/70/44/968347044.db2.gz OAHZAZRTZJMWFJ-UHFFFAOYSA-N 1 2 417.372 3.763 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(OCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000105362646 969234497 /nfs/dbraw/zinc/23/44/97/969234497.db2.gz GZNCTECGIUDJHB-MRXNPFEDSA-N 1 2 413.474 3.612 20 5 HHBDLO CC(C)CC(=O)Nc1cccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000109157558 969470851 /nfs/dbraw/zinc/47/08/51/969470851.db2.gz IEPWYRPZCCVZFD-UHFFFAOYSA-N 1 2 421.457 3.695 20 5 HHBDLO O=[N+]([O-])c1cc(Br)ccc1N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000144946798 970247777 /nfs/dbraw/zinc/24/77/77/970247777.db2.gz KEKFFDALZKMCCW-QGZVFWFLSA-N 1 2 406.280 3.843 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)cs2)c1 ZINC000238007566 970417735 /nfs/dbraw/zinc/41/77/35/970417735.db2.gz CHLUELCVAHJPDY-OAQYLSRUSA-N 1 2 424.526 3.709 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)cs2)c1 ZINC000238007566 970417745 /nfs/dbraw/zinc/41/77/45/970417745.db2.gz CHLUELCVAHJPDY-OAQYLSRUSA-N 1 2 424.526 3.709 20 5 HHBDLO Cc1cc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301093500 970744364 /nfs/dbraw/zinc/74/43/64/970744364.db2.gz ILCYMOCTKJAQCI-OAQYLSRUSA-N 1 2 419.485 3.846 20 5 HHBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc(-c2ccncc2)cs1 ZINC000409665220 973122509 /nfs/dbraw/zinc/12/25/09/973122509.db2.gz OEOLLJRAYWPKIW-ZDUSSCGKSA-N 1 2 420.454 3.790 20 5 HHBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410287654 973815404 /nfs/dbraw/zinc/81/54/04/973815404.db2.gz JSRAPKARZSUZSB-OAHLLOKOSA-N 1 2 407.474 3.558 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000427027659 974837752 /nfs/dbraw/zinc/83/77/52/974837752.db2.gz JONCOYZUHAWVIC-SJLPKXTDSA-N 1 2 407.829 3.571 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000427027659 974837757 /nfs/dbraw/zinc/83/77/57/974837757.db2.gz JONCOYZUHAWVIC-SJLPKXTDSA-N 1 2 407.829 3.571 20 5 HHBDLO Cc1cc(OCC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000430400383 977523977 /nfs/dbraw/zinc/52/39/77/977523977.db2.gz JGUUBTCNTDAJHS-IRXDYDNUSA-N 1 2 413.474 3.530 20 5 HHBDLO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2[N+](=O)[O-])C1 ZINC000433961822 979718764 /nfs/dbraw/zinc/71/87/64/979718764.db2.gz WLDUYNARUMHVCC-MBOZVWFJSA-N 1 2 424.501 3.766 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434491143 980209649 /nfs/dbraw/zinc/20/96/49/980209649.db2.gz ASLXBBYPDXCIOH-OAHLLOKOSA-N 1 2 401.438 3.891 20 5 HHBDLO O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000434828378 980427404 /nfs/dbraw/zinc/42/74/04/980427404.db2.gz CCVGWSSAUFWILD-UHFFFAOYSA-N 1 2 413.409 3.661 20 5 HHBDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCCO1 ZINC000439468046 983422739 /nfs/dbraw/zinc/42/27/39/983422739.db2.gz JPUXICJANIQSGF-XJKSGUPXSA-N 1 2 404.492 3.546 20 5 HHBDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCCO1 ZINC000439468046 983422743 /nfs/dbraw/zinc/42/27/43/983422743.db2.gz JPUXICJANIQSGF-XJKSGUPXSA-N 1 2 404.492 3.546 20 5 HHBDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000439795951 983542673 /nfs/dbraw/zinc/54/26/73/983542673.db2.gz VWONQUUQDAFVSP-JTSKRJEESA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000439795951 983542675 /nfs/dbraw/zinc/54/26/75/983542675.db2.gz VWONQUUQDAFVSP-JTSKRJEESA-N 1 2 410.518 3.979 20 5 HHBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000441505707 984292168 /nfs/dbraw/zinc/29/21/68/984292168.db2.gz IJDLXDOQDWJEJA-NRFANRHFSA-N 1 2 422.489 3.561 20 5 HHBDLO CCNc1ccc(C(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000443979461 986183917 /nfs/dbraw/zinc/18/39/17/986183917.db2.gz OEGPHBOJJJBATE-UHFFFAOYSA-N 1 2 411.506 3.800 20 5 HHBDLO C[C@@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C[C@@H]1n1cc[nH+]c1 ZINC000444227495 986414503 /nfs/dbraw/zinc/41/45/03/986414503.db2.gz QNYPYNOCMMATOP-XCLFUZPHSA-N 1 2 422.435 3.879 20 5 HHBDLO CCO[C@@H](C)c1nc(C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cs1 ZINC000444235240 986423485 /nfs/dbraw/zinc/42/34/85/986423485.db2.gz FGVWCUXQHHFLCM-AWEZNQCLSA-N 1 2 406.508 3.918 20 5 HHBDLO CCO[C@@H](C)c1nc(C[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cs1 ZINC000444235240 986423492 /nfs/dbraw/zinc/42/34/92/986423492.db2.gz FGVWCUXQHHFLCM-AWEZNQCLSA-N 1 2 406.508 3.918 20 5 HHBDLO CCO[C@H](C)c1nc(C[N@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cs1 ZINC000444250997 986446698 /nfs/dbraw/zinc/44/66/98/986446698.db2.gz ZBLAHJQHUIBOLF-CYBMUJFWSA-N 1 2 420.491 3.579 20 5 HHBDLO CCO[C@H](C)c1nc(C[N@@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cs1 ZINC000444250997 986446701 /nfs/dbraw/zinc/44/67/01/986446701.db2.gz ZBLAHJQHUIBOLF-CYBMUJFWSA-N 1 2 420.491 3.579 20 5 HHBDLO O=C(C[N@@H+]1CC[C@@H](CC(F)(F)F)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444712194 986883793 /nfs/dbraw/zinc/88/37/93/986883793.db2.gz WDXHTGFASDPMDJ-NSHDSACASA-N 1 2 414.409 3.931 20 5 HHBDLO O=C(C[N@H+]1CC[C@@H](CC(F)(F)F)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444712194 986883806 /nfs/dbraw/zinc/88/38/06/986883806.db2.gz WDXHTGFASDPMDJ-NSHDSACASA-N 1 2 414.409 3.931 20 5 HHBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1sc(Br)cc1[N+](=O)[O-] ZINC000444827475 986983222 /nfs/dbraw/zinc/98/32/22/986983222.db2.gz KNHHJMMGTHMUJK-UHFFFAOYSA-N 1 2 421.276 3.594 20 5 HHBDLO CC(C)CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000469281721 987000754 /nfs/dbraw/zinc/00/07/54/987000754.db2.gz NLKZSFJXDILSFZ-WMLDXEAASA-N 1 2 418.519 3.792 20 5 HHBDLO CC(C)CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000469281721 987000760 /nfs/dbraw/zinc/00/07/60/987000760.db2.gz NLKZSFJXDILSFZ-WMLDXEAASA-N 1 2 418.519 3.792 20 5 HHBDLO Cc1ccc(F)cc1-c1nnc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000469894560 987531260 /nfs/dbraw/zinc/53/12/60/987531260.db2.gz XALNYKGUZUIWJM-UHFFFAOYSA-N 1 2 424.417 3.999 20 5 HHBDLO O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000463894877 988004939 /nfs/dbraw/zinc/00/49/39/988004939.db2.gz JBICHFZZMNGGIJ-UHFFFAOYSA-N 1 2 409.833 3.888 20 5 HHBDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470134157 988039492 /nfs/dbraw/zinc/03/94/92/988039492.db2.gz CLXNXFLBWATATJ-BBRMVZONSA-N 1 2 410.446 3.872 20 5 HHBDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470134157 988039501 /nfs/dbraw/zinc/03/95/01/988039501.db2.gz CLXNXFLBWATATJ-BBRMVZONSA-N 1 2 410.446 3.872 20 5 HHBDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000470151528 988060376 /nfs/dbraw/zinc/06/03/76/988060376.db2.gz IOOXADIDOOCHSV-MSOLQXFVSA-N 1 2 422.844 3.581 20 5 HHBDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000470151528 988060389 /nfs/dbraw/zinc/06/03/89/988060389.db2.gz IOOXADIDOOCHSV-MSOLQXFVSA-N 1 2 422.844 3.581 20 5 HHBDLO Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000470263905 988211605 /nfs/dbraw/zinc/21/16/05/988211605.db2.gz MQGDUVJNSHRQAF-RXVVDRJESA-N 1 2 406.442 3.739 20 5 HHBDLO Cc1c(NC(=O)CC[N@@H+](C)Cc2nccn2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000464727241 988945902 /nfs/dbraw/zinc/94/59/02/988945902.db2.gz VCBCBLWMFYORFJ-UHFFFAOYSA-N 1 2 407.474 3.609 20 5 HHBDLO Cc1c(NC(=O)CC[N@H+](C)Cc2nccn2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000464727241 988945910 /nfs/dbraw/zinc/94/59/10/988945910.db2.gz VCBCBLWMFYORFJ-UHFFFAOYSA-N 1 2 407.474 3.609 20 5 HHBDLO Cc1ccc([C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c2ccccn2)cc1 ZINC000471075304 989165068 /nfs/dbraw/zinc/16/50/68/989165068.db2.gz PBGWMRULMUMYIT-QHCPKHFHSA-N 1 2 402.454 3.567 20 5 HHBDLO COc1ccccc1[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)OC(C)C ZINC000471541264 989740903 /nfs/dbraw/zinc/74/09/03/989740903.db2.gz WMHVADRWFDTYDN-NRFANRHFSA-N 1 2 424.457 3.685 20 5 HHBDLO COc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000471945173 990109771 /nfs/dbraw/zinc/10/97/71/990109771.db2.gz VIBZZWISYODFMC-YJBOKZPZSA-N 1 2 422.844 3.963 20 5 HHBDLO COc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000471945173 990109776 /nfs/dbraw/zinc/10/97/76/990109776.db2.gz VIBZZWISYODFMC-YJBOKZPZSA-N 1 2 422.844 3.963 20 5 HHBDLO CC[NH+](CC)CCOc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1 ZINC000467432603 992731105 /nfs/dbraw/zinc/73/11/05/992731105.db2.gz CVQMEEVFOWYQNR-UHFFFAOYSA-N 1 2 421.519 3.733 20 5 HHBDLO COc1ccc(NC(=O)CC[N@H+](C)Cc2nc(C(F)(F)F)cs2)c([N+](=O)[O-])c1 ZINC000472486517 993488688 /nfs/dbraw/zinc/48/86/88/993488688.db2.gz KEBWMKKKXGOZDC-UHFFFAOYSA-N 1 2 418.397 3.539 20 5 HHBDLO COc1ccc(NC(=O)CC[N@@H+](C)Cc2nc(C(F)(F)F)cs2)c([N+](=O)[O-])c1 ZINC000472486517 993488696 /nfs/dbraw/zinc/48/86/96/993488696.db2.gz KEBWMKKKXGOZDC-UHFFFAOYSA-N 1 2 418.397 3.539 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)n1 ZINC000481670906 994531566 /nfs/dbraw/zinc/53/15/66/994531566.db2.gz MQRAFFISPREMDH-UHFFFAOYSA-N 1 2 422.464 3.771 20 5 HHBDLO COC(=O)c1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc(Cl)c1F ZINC000482644772 995640433 /nfs/dbraw/zinc/64/04/33/995640433.db2.gz WOZQMGLBVTYOIP-UHFFFAOYSA-N 1 2 418.768 3.612 20 5 HHBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2c(F)ccc(I)c2F)cc1 ZINC000474866472 995762977 /nfs/dbraw/zinc/76/29/77/995762977.db2.gz DHQJPDOCHUSRMZ-UHFFFAOYSA-N 1 2 404.154 3.767 20 5 HHBDLO C[C@H]1C[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000475638025 996268170 /nfs/dbraw/zinc/26/81/70/996268170.db2.gz NOHQLBWRRWZZCN-YCRPNKLZSA-N 1 2 402.422 3.906 20 5 HHBDLO C[C@H]1C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000475638025 996268176 /nfs/dbraw/zinc/26/81/76/996268176.db2.gz NOHQLBWRRWZZCN-YCRPNKLZSA-N 1 2 402.422 3.906 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000476573040 997071123 /nfs/dbraw/zinc/07/11/23/997071123.db2.gz AJARAHTXAVGHRT-WMZOPIPTSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000476573040 997071139 /nfs/dbraw/zinc/07/11/39/997071139.db2.gz AJARAHTXAVGHRT-WMZOPIPTSA-N 1 2 421.856 3.961 20 5 HHBDLO COc1ccccc1-c1csc(C2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)n1 ZINC000485128834 997513521 /nfs/dbraw/zinc/51/35/21/997513521.db2.gz OMHWWBXMLFOGPD-UHFFFAOYSA-N 1 2 413.503 3.840 20 5 HHBDLO Cc1cc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000485225405 997599999 /nfs/dbraw/zinc/59/99/99/997599999.db2.gz UJUDIACHFPPQQV-UHFFFAOYSA-N 1 2 404.430 3.792 20 5 HHBDLO Cc1sc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000485309839 997719624 /nfs/dbraw/zinc/71/96/24/997719624.db2.gz ARWRLQBRMFGVAR-UHFFFAOYSA-N 1 2 410.459 3.854 20 5 HHBDLO Cc1cccc(NC(=O)CN2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1C ZINC000485708891 998175056 /nfs/dbraw/zinc/17/50/56/998175056.db2.gz NWLKAIMMDXRMOL-IBGZPJMESA-N 1 2 410.518 3.837 20 5 HHBDLO CCS[C@@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000485969100 998410824 /nfs/dbraw/zinc/41/08/24/998410824.db2.gz VLLOUOHPHUSXEV-ZDUSSCGKSA-N 1 2 407.496 3.561 20 5 HHBDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000485969100 998410832 /nfs/dbraw/zinc/41/08/32/998410832.db2.gz VLLOUOHPHUSXEV-ZDUSSCGKSA-N 1 2 407.496 3.561 20 5 HHBDLO C[N@@H+]1CC[C@@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485994471 998437719 /nfs/dbraw/zinc/43/77/19/998437719.db2.gz PPMFSKOBGBBGDG-SJORKVTESA-N 1 2 401.373 3.780 20 5 HHBDLO C[N@H+]1CC[C@@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485994471 998437722 /nfs/dbraw/zinc/43/77/22/998437722.db2.gz PPMFSKOBGBBGDG-SJORKVTESA-N 1 2 401.373 3.780 20 5 HHBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H](C)O1 ZINC000486021401 998468750 /nfs/dbraw/zinc/46/87/50/998468750.db2.gz XPEWTERDZYGMQR-GJZGRUSLSA-N 1 2 408.458 3.938 20 5 HHBDLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000486028247 998475488 /nfs/dbraw/zinc/47/54/88/998475488.db2.gz LUAFIRJXXSFNMG-UHFFFAOYSA-N 1 2 423.473 3.975 20 5 HHBDLO CSc1cccc(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1[N+](=O)[O-] ZINC000486107552 998554259 /nfs/dbraw/zinc/55/42/59/998554259.db2.gz IQXFDULWISHRCL-UHFFFAOYSA-N 1 2 415.519 3.501 20 5 HHBDLO CCc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CCC2 ZINC000478043287 998731009 /nfs/dbraw/zinc/73/10/09/998731009.db2.gz CRKQIGCODBDTBN-HNNXBMFYSA-N 1 2 404.492 3.570 20 5 HHBDLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CCC2 ZINC000478043287 998731019 /nfs/dbraw/zinc/73/10/19/998731019.db2.gz CRKQIGCODBDTBN-HNNXBMFYSA-N 1 2 404.492 3.570 20 5 HHBDLO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000478286704 998865589 /nfs/dbraw/zinc/86/55/89/998865589.db2.gz SKKVZHACUZONGH-LJQANCHMSA-N 1 2 409.421 3.727 20 5 HHBDLO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000478286704 998865595 /nfs/dbraw/zinc/86/55/95/998865595.db2.gz SKKVZHACUZONGH-LJQANCHMSA-N 1 2 409.421 3.727 20 5 HHBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000487444832 999178910 /nfs/dbraw/zinc/17/89/10/999178910.db2.gz MFJPVPKCCZKFRS-UHFFFAOYSA-N 1 2 401.488 3.791 20 5 HHBDLO C[C@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000487637664 999237651 /nfs/dbraw/zinc/23/76/51/999237651.db2.gz SOGHOGABUNQJCR-HOTGVXAUSA-N 1 2 415.515 3.585 20 5 HHBDLO O=C1[C@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000488726271 999589859 /nfs/dbraw/zinc/58/98/59/999589859.db2.gz VLVIIFWZMRJRFQ-MRXNPFEDSA-N 1 2 424.288 3.541 20 5 HHBDLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488735796 999593132 /nfs/dbraw/zinc/59/31/32/999593132.db2.gz PHQQGHZSJPGJMI-ZDUSSCGKSA-N 1 2 416.869 3.817 20 5 HHBDLO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488784212 999606354 /nfs/dbraw/zinc/60/63/54/999606354.db2.gz OTYSQLPFMJXRGI-NSHDSACASA-N 1 2 412.277 3.762 20 5 HHBDLO CSc1ccc(C(=O)c2ccccc2C(=O)NCc2[nH]c[nH+]c2C)cc1[N+](=O)[O-] ZINC000480022893 999690747 /nfs/dbraw/zinc/69/07/47/999690747.db2.gz WCOWJSOWYFMFNW-UHFFFAOYSA-N 1 2 410.455 3.509 20 5 HHBDLO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC(n2cc[nH+]c2)CC1 ZINC000480513569 999815944 /nfs/dbraw/zinc/81/59/44/999815944.db2.gz OVFJDHXHNLWJNP-UHFFFAOYSA-N 1 2 402.252 3.944 20 5 HHBDLO COc1ccc(Cl)cc1CNC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490047398 999884623 /nfs/dbraw/zinc/88/46/23/999884623.db2.gz QWGGELQSZCDQCI-UHFFFAOYSA-N 1 2 403.866 3.538 20 5 HHBDLO COc1ccc(Cl)cc1CNC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490047398 999884624 /nfs/dbraw/zinc/88/46/24/999884624.db2.gz QWGGELQSZCDQCI-UHFFFAOYSA-N 1 2 403.866 3.538 20 5 HHBDLO COc1ccc(C[N@H+](C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])cc1O ZINC000491067409 1000041928 /nfs/dbraw/zinc/04/19/28/1000041928.db2.gz QJGPURZNJSLGBF-UHFFFAOYSA-N 1 2 412.389 3.594 20 5 HHBDLO COc1ccc(C[N@@H+](C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])cc1O ZINC000491067409 1000041930 /nfs/dbraw/zinc/04/19/30/1000041930.db2.gz QJGPURZNJSLGBF-UHFFFAOYSA-N 1 2 412.389 3.594 20 5 HHBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000491107326 1000046003 /nfs/dbraw/zinc/04/60/03/1000046003.db2.gz FFWKKFVTWXAEQN-CQSZACIVSA-N 1 2 402.344 3.624 20 5 HHBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000491107326 1000046005 /nfs/dbraw/zinc/04/60/05/1000046005.db2.gz FFWKKFVTWXAEQN-CQSZACIVSA-N 1 2 402.344 3.624 20 5 HHBDLO Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)CC3 ZINC000491457595 1000076397 /nfs/dbraw/zinc/07/63/97/1000076397.db2.gz PFLXPDBWWQYNHC-INIZCTEOSA-N 1 2 415.453 3.858 20 5 HHBDLO COc1cc(C[N@@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)ccc1[N+](=O)[O-] ZINC000492851293 1000146791 /nfs/dbraw/zinc/14/67/91/1000146791.db2.gz JTBAVPHDMPMWGS-KRWDZBQOSA-N 1 2 409.442 3.744 20 5 HHBDLO COc1cc(C[N@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)ccc1[N+](=O)[O-] ZINC000492851293 1000146795 /nfs/dbraw/zinc/14/67/95/1000146795.db2.gz JTBAVPHDMPMWGS-KRWDZBQOSA-N 1 2 409.442 3.744 20 5 HHBDLO CCc1nc(C)c(C[NH2+]Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000494283234 1000410140 /nfs/dbraw/zinc/41/01/40/1000410140.db2.gz URQRUOGGXGHCBJ-UHFFFAOYSA-N 1 2 403.357 3.693 20 5 HHBDLO O=C(CCn1cc[nH+]c1)Nc1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000505030999 1000515682 /nfs/dbraw/zinc/51/56/82/1000515682.db2.gz RERRNHSCYJGYAA-UHFFFAOYSA-N 1 2 404.386 3.537 20 5 HHBDLO O=C(C[N@@H+]1CCC[C@@H](OCC2CC2)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000494709445 1000615634 /nfs/dbraw/zinc/61/56/34/1000615634.db2.gz LFWBREKQKQPZEQ-QGZVFWFLSA-N 1 2 416.503 3.548 20 5 HHBDLO O=C(C[N@H+]1CCC[C@@H](OCC2CC2)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000494709445 1000615636 /nfs/dbraw/zinc/61/56/36/1000615636.db2.gz LFWBREKQKQPZEQ-QGZVFWFLSA-N 1 2 416.503 3.548 20 5 HHBDLO O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000505232106 1000635128 /nfs/dbraw/zinc/63/51/28/1000635128.db2.gz SULSFGLPKUIGJQ-SFTDATJTSA-N 1 2 422.441 3.715 20 5 HHBDLO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(c3noc(C(C)C)n3)CC2)cccc1[N+](=O)[O-] ZINC000505258620 1000651589 /nfs/dbraw/zinc/65/15/89/1000651589.db2.gz WWAFQIXSUHOZIM-AWEZNQCLSA-N 1 2 401.467 3.616 20 5 HHBDLO CCOc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)cc1[N+](=O)[O-] ZINC000505538409 1000887132 /nfs/dbraw/zinc/88/71/32/1000887132.db2.gz AQWQPEKKLWOPEL-INIZCTEOSA-N 1 2 413.474 3.521 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000497485504 1001393251 /nfs/dbraw/zinc/39/32/51/1001393251.db2.gz IWOLEKILRJOLIK-MJGOQNOKSA-N 1 2 400.385 3.530 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000497485504 1001393253 /nfs/dbraw/zinc/39/32/53/1001393253.db2.gz IWOLEKILRJOLIK-MJGOQNOKSA-N 1 2 400.385 3.530 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497487361 1001394979 /nfs/dbraw/zinc/39/49/79/1001394979.db2.gz ALDQHQFWHVYMJG-MJGOQNOKSA-N 1 2 407.442 3.527 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497487361 1001394983 /nfs/dbraw/zinc/39/49/83/1001394983.db2.gz ALDQHQFWHVYMJG-MJGOQNOKSA-N 1 2 407.442 3.527 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000507262224 1001946363 /nfs/dbraw/zinc/94/63/63/1001946363.db2.gz MFCCNTRWIZVKEX-AWEZNQCLSA-N 1 2 416.453 3.646 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@H]1c1ccc(F)c(F)c1 ZINC000498644998 1002046237 /nfs/dbraw/zinc/04/62/37/1002046237.db2.gz VOHZPVTXWBZXOQ-YLJYHZDGSA-N 1 2 412.396 3.596 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@H]1c1ccc(F)c(F)c1 ZINC000498644998 1002046244 /nfs/dbraw/zinc/04/62/44/1002046244.db2.gz VOHZPVTXWBZXOQ-YLJYHZDGSA-N 1 2 412.396 3.596 20 5 HHBDLO CC(C)c1n[nH]c(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000507406604 1002053578 /nfs/dbraw/zinc/05/35/78/1002053578.db2.gz UMQVGEBBGSGROY-UHFFFAOYSA-N 1 2 416.869 3.634 20 5 HHBDLO CC(C)c1[nH]nc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000507406604 1002053586 /nfs/dbraw/zinc/05/35/86/1002053586.db2.gz UMQVGEBBGSGROY-UHFFFAOYSA-N 1 2 416.869 3.634 20 5 HHBDLO CC(=O)N1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC12CCCCC2 ZINC000498905216 1002299400 /nfs/dbraw/zinc/29/94/00/1002299400.db2.gz OCUQKBZLBOUHHO-HNNXBMFYSA-N 1 2 413.478 3.573 20 5 HHBDLO CC(=O)N1CC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC12CCCCC2 ZINC000498905216 1002299404 /nfs/dbraw/zinc/29/94/04/1002299404.db2.gz OCUQKBZLBOUHHO-HNNXBMFYSA-N 1 2 413.478 3.573 20 5 HHBDLO Cc1ccc(C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]2CCCO2)c(Br)c1 ZINC000499905676 1003236576 /nfs/dbraw/zinc/23/65/76/1003236576.db2.gz DMHJAKKIODTGPB-KRWDZBQOSA-N 1 2 423.311 3.543 20 5 HHBDLO Cc1ccc(C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]2CCCO2)c(Br)c1 ZINC000499905676 1003236587 /nfs/dbraw/zinc/23/65/87/1003236587.db2.gz DMHJAKKIODTGPB-KRWDZBQOSA-N 1 2 423.311 3.543 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000500049144 1003384524 /nfs/dbraw/zinc/38/45/24/1003384524.db2.gz RMHHKTDPNVTCOM-KRWDZBQOSA-N 1 2 412.490 3.611 20 5 HHBDLO COc1cccc(C2(F)CC[NH+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000500158252 1003513022 /nfs/dbraw/zinc/51/30/22/1003513022.db2.gz XGJBYAZPFUMDOX-OAHLLOKOSA-N 1 2 401.438 3.891 20 5 HHBDLO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509341291 1003717005 /nfs/dbraw/zinc/71/70/05/1003717005.db2.gz IZEPHDJUKLVSBJ-LLVKDONJSA-N 1 2 410.808 3.772 20 5 HHBDLO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509341291 1003716999 /nfs/dbraw/zinc/71/69/99/1003716999.db2.gz IZEPHDJUKLVSBJ-LLVKDONJSA-N 1 2 410.808 3.772 20 5 HHBDLO CCCN([C@@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000509626313 1003989591 /nfs/dbraw/zinc/98/95/91/1003989591.db2.gz QPUWBUDCNFBKEX-QGZVFWFLSA-N 1 2 423.560 3.722 20 5 HHBDLO CCCN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000509626313 1003989594 /nfs/dbraw/zinc/98/95/94/1003989594.db2.gz QPUWBUDCNFBKEX-QGZVFWFLSA-N 1 2 423.560 3.722 20 5 HHBDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509672138 1004019393 /nfs/dbraw/zinc/01/93/93/1004019393.db2.gz SRJCQAKSDAUSQY-MRXNPFEDSA-N 1 2 405.445 3.596 20 5 HHBDLO COc1ccc(C[NH+]2CCN(CC(F)F)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512179675 1004081868 /nfs/dbraw/zinc/08/18/68/1004081868.db2.gz MLUPMSJEQJIWKW-UHFFFAOYSA-N 1 2 421.444 3.565 20 5 HHBDLO O=C(CC[N@@H+]1CCc2c(Br)ccc(F)c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000501063512 1004165559 /nfs/dbraw/zinc/16/55/59/1004165559.db2.gz JIGDWQSLBJQMHL-UHFFFAOYSA-N 1 2 422.254 3.883 20 5 HHBDLO O=C(CC[N@H+]1CCc2c(Br)ccc(F)c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000501063512 1004165586 /nfs/dbraw/zinc/16/55/86/1004165586.db2.gz JIGDWQSLBJQMHL-UHFFFAOYSA-N 1 2 422.254 3.883 20 5 HHBDLO O=C1C[C@H](c2ccccc2)[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1 ZINC000510537715 1004670702 /nfs/dbraw/zinc/67/07/02/1004670702.db2.gz JJOKCXPAXQHFOL-LJQANCHMSA-N 1 2 408.483 3.782 20 5 HHBDLO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1 ZINC000510537715 1004670705 /nfs/dbraw/zinc/67/07/05/1004670705.db2.gz JJOKCXPAXQHFOL-LJQANCHMSA-N 1 2 408.483 3.782 20 5 HHBDLO COC(=O)C[C@](C)([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(F)c1 ZINC000513144345 1004830015 /nfs/dbraw/zinc/83/00/15/1004830015.db2.gz KGTNPEROTFRNNH-NRFANRHFSA-N 1 2 413.405 3.957 20 5 HHBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000510787766 1004852402 /nfs/dbraw/zinc/85/24/02/1004852402.db2.gz QCUQAGBCIWBIHW-OAHLLOKOSA-N 1 2 402.499 3.604 20 5 HHBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000510787766 1004852405 /nfs/dbraw/zinc/85/24/05/1004852405.db2.gz QCUQAGBCIWBIHW-OAHLLOKOSA-N 1 2 402.499 3.604 20 5 HHBDLO O=C(c1c(Cl)cccc1Cl)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000511091785 1005015036 /nfs/dbraw/zinc/01/50/36/1005015036.db2.gz HAXHMOPKOFZWSS-UHFFFAOYSA-N 1 2 408.285 3.902 20 5 HHBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513989437 1005215862 /nfs/dbraw/zinc/21/58/62/1005215862.db2.gz LBEIQEUQLXWXRS-LJQANCHMSA-N 1 2 402.882 3.613 20 5 HHBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513997542 1005220547 /nfs/dbraw/zinc/22/05/47/1005220547.db2.gz SWLJTGDYWKJPPH-MRXNPFEDSA-N 1 2 424.284 3.844 20 5 HHBDLO CC[N@H+](Cc1cnn(C)c1)Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000511623229 1005248997 /nfs/dbraw/zinc/24/89/97/1005248997.db2.gz MZKUCQMBZJYQIS-UHFFFAOYSA-N 1 2 410.474 3.938 20 5 HHBDLO CC[N@@H+](Cc1cnn(C)c1)Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000511623229 1005249000 /nfs/dbraw/zinc/24/90/00/1005249000.db2.gz MZKUCQMBZJYQIS-UHFFFAOYSA-N 1 2 410.474 3.938 20 5 HHBDLO CS[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000515483861 1006495393 /nfs/dbraw/zinc/49/53/93/1006495393.db2.gz LMTIAVMVWKCXIS-AWEZNQCLSA-N 1 2 405.545 3.719 20 5 HHBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000515553879 1006531367 /nfs/dbraw/zinc/53/13/67/1006531367.db2.gz LWTCQUYMLLSITE-UHFFFAOYSA-N 1 2 406.442 3.892 20 5 HHBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCCc3cccc([N+](=O)[O-])c3)n2)C1 ZINC000534777653 1006776052 /nfs/dbraw/zinc/77/60/52/1006776052.db2.gz NGWYAILRJOPKIN-AWEZNQCLSA-N 1 2 403.508 3.647 20 5 HHBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCc3cccc([N+](=O)[O-])c3)n2)C1 ZINC000534777653 1006776062 /nfs/dbraw/zinc/77/60/62/1006776062.db2.gz NGWYAILRJOPKIN-AWEZNQCLSA-N 1 2 403.508 3.647 20 5 HHBDLO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000532392225 1006840272 /nfs/dbraw/zinc/84/02/72/1006840272.db2.gz PCEINKASSBMOGG-UHFFFAOYSA-N 1 2 413.437 3.832 20 5 HHBDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538601620 1006872376 /nfs/dbraw/zinc/87/23/76/1006872376.db2.gz UKUYEAGHIKZNBI-VQIMIIECSA-N 1 2 420.872 3.923 20 5 HHBDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538601620 1006872388 /nfs/dbraw/zinc/87/23/88/1006872388.db2.gz UKUYEAGHIKZNBI-VQIMIIECSA-N 1 2 420.872 3.923 20 5 HHBDLO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]([C@@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])C3)nc2c1 ZINC000534952164 1006996996 /nfs/dbraw/zinc/99/69/96/1006996996.db2.gz TVDWGBOERWDWHT-HOTGVXAUSA-N 1 2 407.474 3.986 20 5 HHBDLO Cc1ccc2[nH]c([C@H]3CCC[N@H+]([C@@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])C3)nc2c1 ZINC000534952164 1006997007 /nfs/dbraw/zinc/99/70/07/1006997007.db2.gz TVDWGBOERWDWHT-HOTGVXAUSA-N 1 2 407.474 3.986 20 5 HHBDLO Cc1ccc2nc([C@H]3CCC[N@@H+]([C@@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000534952164 1006997021 /nfs/dbraw/zinc/99/70/21/1006997021.db2.gz TVDWGBOERWDWHT-HOTGVXAUSA-N 1 2 407.474 3.986 20 5 HHBDLO Cc1ccc2nc([C@H]3CCC[N@H+]([C@@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000534952164 1006997034 /nfs/dbraw/zinc/99/70/34/1006997034.db2.gz TVDWGBOERWDWHT-HOTGVXAUSA-N 1 2 407.474 3.986 20 5 HHBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000532589205 1007026040 /nfs/dbraw/zinc/02/60/40/1007026040.db2.gz NKFIGGJECRPAOA-FZMZJTMJSA-N 1 2 400.357 3.749 20 5 HHBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000532589205 1007026054 /nfs/dbraw/zinc/02/60/54/1007026054.db2.gz NKFIGGJECRPAOA-FZMZJTMJSA-N 1 2 400.357 3.749 20 5 HHBDLO Nc1c(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc(F)cc1[N+](=O)[O-] ZINC000516488077 1007104589 /nfs/dbraw/zinc/10/45/89/1007104589.db2.gz FALITDAXEIRXAW-INIZCTEOSA-N 1 2 424.835 3.676 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535131455 1007169282 /nfs/dbraw/zinc/16/92/82/1007169282.db2.gz PFYPSPOEBLCAHO-XLIONFOSSA-N 1 2 420.872 3.751 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535131455 1007169288 /nfs/dbraw/zinc/16/92/88/1007169288.db2.gz PFYPSPOEBLCAHO-XLIONFOSSA-N 1 2 420.872 3.751 20 5 HHBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc(I)cc1[N+](=O)[O-])CCC2 ZINC000532781428 1007178969 /nfs/dbraw/zinc/17/89/69/1007178969.db2.gz AUASVDOQERGVQM-LLVKDONJSA-N 1 2 412.231 3.694 20 5 HHBDLO CC(C)([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCC1CCCC1 ZINC000532905754 1007281358 /nfs/dbraw/zinc/28/13/58/1007281358.db2.gz SCNDOWHERSHANK-UHFFFAOYSA-N 1 2 402.520 3.893 20 5 HHBDLO Cc1ccc(C(=O)C2CC[NH+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)cc1 ZINC000532925258 1007297132 /nfs/dbraw/zinc/29/71/32/1007297132.db2.gz RJOCGHSCIQLJIQ-NRFANRHFSA-N 1 2 407.470 3.603 20 5 HHBDLO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1nccn1CC(F)(F)F ZINC000532949642 1007320598 /nfs/dbraw/zinc/32/05/98/1007320598.db2.gz NGUXNNVGYPCFPT-UHFFFAOYSA-N 1 2 409.368 3.683 20 5 HHBDLO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1nccn1CC(F)(F)F ZINC000532949642 1007320610 /nfs/dbraw/zinc/32/06/10/1007320610.db2.gz NGUXNNVGYPCFPT-UHFFFAOYSA-N 1 2 409.368 3.683 20 5 HHBDLO O=C1CCCN1C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000539219515 1007510535 /nfs/dbraw/zinc/51/05/35/1007510535.db2.gz PKRUKBULKKYVJD-HXUWFJFHSA-N 1 2 406.442 3.703 20 5 HHBDLO COc1cc([C@H](C)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc(OC)c1OC ZINC000539225551 1007517700 /nfs/dbraw/zinc/51/77/00/1007517700.db2.gz HWXHRHAWLHALOG-LBPRGKRZSA-N 1 2 414.418 3.521 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000533248457 1007566916 /nfs/dbraw/zinc/56/69/16/1007566916.db2.gz PONZLRQRWIACPU-IEBWSBKVSA-N 1 2 424.284 3.739 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000533248457 1007566934 /nfs/dbraw/zinc/56/69/34/1007566934.db2.gz PONZLRQRWIACPU-IEBWSBKVSA-N 1 2 424.284 3.739 20 5 HHBDLO C[C@H]([NH2+]Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000539279275 1007575368 /nfs/dbraw/zinc/57/53/68/1007575368.db2.gz BVOCILCNHLFCRK-ZDUSSCGKSA-N 1 2 401.444 3.504 20 5 HHBDLO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)ccc2NC1=O ZINC000539294134 1007591628 /nfs/dbraw/zinc/59/16/28/1007591628.db2.gz HPZDNWHQFZKYDD-YVEFUNNKSA-N 1 2 423.429 3.605 20 5 HHBDLO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000533343734 1007650762 /nfs/dbraw/zinc/65/07/62/1007650762.db2.gz CXLNBOMZTBFPNI-INIZCTEOSA-N 1 2 412.277 3.591 20 5 HHBDLO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000533343734 1007650767 /nfs/dbraw/zinc/65/07/67/1007650767.db2.gz CXLNBOMZTBFPNI-INIZCTEOSA-N 1 2 412.277 3.591 20 5 HHBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(OCC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000533427207 1007736836 /nfs/dbraw/zinc/73/68/36/1007736836.db2.gz BCYDZFOJWLACFT-UHFFFAOYSA-N 1 2 419.522 3.993 20 5 HHBDLO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(Oc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000533436774 1007751226 /nfs/dbraw/zinc/75/12/26/1007751226.db2.gz RIFSBPANKAIJHO-HNNXBMFYSA-N 1 2 401.438 3.913 20 5 HHBDLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000518444659 1008309494 /nfs/dbraw/zinc/30/94/94/1008309494.db2.gz SPIWMAXBSKMGRD-UHFFFAOYSA-N 1 2 423.816 3.618 20 5 HHBDLO CCCN1C(=O)CCc2cc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)ccc21 ZINC000540250954 1008353179 /nfs/dbraw/zinc/35/31/79/1008353179.db2.gz WOOJADQCIOAYPO-UHFFFAOYSA-N 1 2 419.441 3.722 20 5 HHBDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])CCCC2)no1 ZINC000518639188 1008374873 /nfs/dbraw/zinc/37/48/73/1008374873.db2.gz JCJXBOGVVKXSTI-UHFFFAOYSA-N 1 2 421.885 3.672 20 5 HHBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000542962549 1008534460 /nfs/dbraw/zinc/53/44/60/1008534460.db2.gz UBABKJYNLNHBCB-UHFFFAOYSA-N 1 2 413.478 3.769 20 5 HHBDLO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543095754 1008670063 /nfs/dbraw/zinc/67/00/63/1008670063.db2.gz NQEKCKZKKRWRRY-UHFFFAOYSA-N 1 2 408.405 3.725 20 5 HHBDLO O=[N+]([O-])c1ccc(-n2ccc(-c3nc(-c4cccc(Cn5cc[nH+]c5)c4)no3)n2)cc1 ZINC000545575443 1008674818 /nfs/dbraw/zinc/67/48/18/1008674818.db2.gz JPWZECMOYLGART-UHFFFAOYSA-N 1 2 413.397 3.742 20 5 HHBDLO COc1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+](CCC(C)C)C3)cc1[N+](=O)[O-] ZINC000543147224 1008720651 /nfs/dbraw/zinc/72/06/51/1008720651.db2.gz IJAZUQUXZLZHMG-UHFFFAOYSA-N 1 2 419.503 3.766 20 5 HHBDLO COc1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+](CCC(C)C)C3)cc1[N+](=O)[O-] ZINC000543147224 1008720666 /nfs/dbraw/zinc/72/06/66/1008720666.db2.gz IJAZUQUXZLZHMG-UHFFFAOYSA-N 1 2 419.503 3.766 20 5 HHBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000543208013 1008778136 /nfs/dbraw/zinc/77/81/36/1008778136.db2.gz IPTYOSBINDEKKJ-PKOBYXMFSA-N 1 2 424.457 3.612 20 5 HHBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000543208013 1008778148 /nfs/dbraw/zinc/77/81/48/1008778148.db2.gz IPTYOSBINDEKKJ-PKOBYXMFSA-N 1 2 424.457 3.612 20 5 HHBDLO Cc1cccn2cc(Cc3noc(-c4ccc(OC(F)F)c([N+](=O)[O-])c4)n3)[nH+]c12 ZINC000546388333 1009395925 /nfs/dbraw/zinc/39/59/25/1009395925.db2.gz PKLAWVJAXZVBQG-UHFFFAOYSA-N 1 2 401.329 3.793 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543891718 1009470982 /nfs/dbraw/zinc/47/09/82/1009470982.db2.gz HIUKXUBWSLTIOT-PKOBYXMFSA-N 1 2 422.407 3.647 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543891718 1009470987 /nfs/dbraw/zinc/47/09/87/1009470987.db2.gz HIUKXUBWSLTIOT-PKOBYXMFSA-N 1 2 422.407 3.647 20 5 HHBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000544142062 1009749749 /nfs/dbraw/zinc/74/97/49/1009749749.db2.gz ISDVWAQXYRTXTE-AEFFLSMTSA-N 1 2 408.907 3.778 20 5 HHBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000544142062 1009749767 /nfs/dbraw/zinc/74/97/67/1009749767.db2.gz ISDVWAQXYRTXTE-AEFFLSMTSA-N 1 2 408.907 3.778 20 5 HHBDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC[C@H](C)CC)cc2[N+](=O)[O-])C1 ZINC000522026753 1010763029 /nfs/dbraw/zinc/76/30/29/1010763029.db2.gz JBIRFSUYEXLYSE-NVXWUHKLSA-N 1 2 407.511 3.519 20 5 HHBDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC[C@H](C)CC)cc2[N+](=O)[O-])C1 ZINC000522026753 1010763034 /nfs/dbraw/zinc/76/30/34/1010763034.db2.gz JBIRFSUYEXLYSE-NVXWUHKLSA-N 1 2 407.511 3.519 20 5 HHBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)CC2)c1 ZINC000536115638 1011232568 /nfs/dbraw/zinc/23/25/68/1011232568.db2.gz ZGMXRFGGSNPPNW-INIZCTEOSA-N 1 2 422.485 3.533 20 5 HHBDLO CSc1ccc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)cc1[N+](=O)[O-] ZINC000523145915 1011619718 /nfs/dbraw/zinc/61/97/18/1011619718.db2.gz SHNQJVYLUDREDJ-UHFFFAOYSA-N 1 2 401.488 3.710 20 5 HHBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H](C)O1 ZINC000536513623 1011711179 /nfs/dbraw/zinc/71/11/79/1011711179.db2.gz CHTBMPFBQLHMQM-GASCZTMLSA-N 1 2 408.458 3.938 20 5 HHBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H](C)O1 ZINC000536513623 1011711187 /nfs/dbraw/zinc/71/11/87/1011711187.db2.gz CHTBMPFBQLHMQM-GASCZTMLSA-N 1 2 408.458 3.938 20 5 HHBDLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc(CC)s3)CC2)cc1[N+](=O)[O-] ZINC000523398466 1011878646 /nfs/dbraw/zinc/87/86/46/1011878646.db2.gz RYXHGHVRZZQJSL-UHFFFAOYSA-N 1 2 403.504 3.575 20 5 HHBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541238731 1011916768 /nfs/dbraw/zinc/91/67/68/1011916768.db2.gz LFJNZSRQMFVWNO-UHFFFAOYSA-N 1 2 421.295 3.886 20 5 HHBDLO Cn1ccnc1[C@@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000552043251 1012063062 /nfs/dbraw/zinc/06/30/62/1012063062.db2.gz DXJUBOPVYFFVBN-PXNSSMCTSA-N 1 2 411.893 3.940 20 5 HHBDLO C[N@@H+]1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000536850407 1012081259 /nfs/dbraw/zinc/08/12/59/1012081259.db2.gz FRPHLZKUBJTBPQ-HXUWFJFHSA-N 1 2 402.454 3.786 20 5 HHBDLO C[N@H+]1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000536850407 1012081270 /nfs/dbraw/zinc/08/12/70/1012081270.db2.gz FRPHLZKUBJTBPQ-HXUWFJFHSA-N 1 2 402.454 3.786 20 5 HHBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC000586773383 1072426083 /nfs/dbraw/zinc/42/60/83/1072426083.db2.gz KPQCOBBVSPMSOY-UHFFFAOYSA-N 1 2 406.364 3.937 20 5 HHBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC000586773383 1072426086 /nfs/dbraw/zinc/42/60/86/1072426086.db2.gz KPQCOBBVSPMSOY-UHFFFAOYSA-N 1 2 406.364 3.937 20 5 HHBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000587971456 1072724142 /nfs/dbraw/zinc/72/41/42/1072724142.db2.gz UBKUUYUIANGTHS-DOTOQJQBSA-N 1 2 419.547 3.565 20 5 HHBDLO CCC[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(OC)c3)c2C1 ZINC000479144524 1072765264 /nfs/dbraw/zinc/76/52/64/1072765264.db2.gz PHRJXSOTGIGZMY-AWEZNQCLSA-N 1 2 419.503 3.908 20 5 HHBDLO CCC[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(OC)c3)c2C1 ZINC000479144524 1072765269 /nfs/dbraw/zinc/76/52/69/1072765269.db2.gz PHRJXSOTGIGZMY-AWEZNQCLSA-N 1 2 419.503 3.908 20 5 HHBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555263872 1073296270 /nfs/dbraw/zinc/29/62/70/1073296270.db2.gz PIIDXVNJZTZRRI-UHFFFAOYSA-N 1 2 404.348 3.788 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000590654655 1073965712 /nfs/dbraw/zinc/96/57/12/1073965712.db2.gz QNDNUOOJURIOOT-UHFFFAOYSA-N 1 2 420.469 3.971 20 5 HHBDLO CNc1c(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000613225114 1074161761 /nfs/dbraw/zinc/16/17/61/1074161761.db2.gz WMQMYRHDCCKOTH-UHFFFAOYSA-N 1 2 422.407 3.613 20 5 HHBDLO O=[N+]([O-])c1cc(F)ccc1N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000301492922 970956289 /nfs/dbraw/zinc/95/62/89/970956289.db2.gz PUSDYTDNPKFLNN-UHFFFAOYSA-N 1 2 403.845 3.747 20 5 HHBDLO O=[N+]([O-])c1cc(F)ccc1N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000301492922 970956294 /nfs/dbraw/zinc/95/62/94/970956294.db2.gz PUSDYTDNPKFLNN-UHFFFAOYSA-N 1 2 403.845 3.747 20 5 HHBDLO CN(C)c1ccc([NH+]2CCC(Nc3ncc([N+](=O)[O-])cc3Br)CC2)cc1 ZINC000301525234 970967415 /nfs/dbraw/zinc/96/74/15/970967415.db2.gz INTDUCUSSRKPGU-UHFFFAOYSA-N 1 2 420.311 3.899 20 5 HHBDLO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000301665038 971020492 /nfs/dbraw/zinc/02/04/92/971020492.db2.gz ZOLXBYFIWRJSAY-AWEZNQCLSA-N 1 2 404.492 3.673 20 5 HHBDLO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000301665038 971020500 /nfs/dbraw/zinc/02/05/00/971020500.db2.gz ZOLXBYFIWRJSAY-AWEZNQCLSA-N 1 2 404.492 3.673 20 5 HHBDLO Cc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3OC(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000302050073 971161928 /nfs/dbraw/zinc/16/19/28/971161928.db2.gz NJHCSDMPQCKNIB-UHFFFAOYSA-N 1 2 407.421 3.745 20 5 HHBDLO C[C@@H]1C[C@@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000302188965 971202769 /nfs/dbraw/zinc/20/27/69/971202769.db2.gz QJURZEVALPJECT-ZBFHGGJFSA-N 1 2 423.560 3.549 20 5 HHBDLO C[C@@H]1C[C@@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000302188965 971202775 /nfs/dbraw/zinc/20/27/75/971202775.db2.gz QJURZEVALPJECT-ZBFHGGJFSA-N 1 2 423.560 3.549 20 5 HHBDLO C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000303666400 971945726 /nfs/dbraw/zinc/94/57/26/971945726.db2.gz FIOFAPNGOTYALL-STQMWFEESA-N 1 2 402.405 3.982 20 5 HHBDLO C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000303666400 971945729 /nfs/dbraw/zinc/94/57/29/971945729.db2.gz FIOFAPNGOTYALL-STQMWFEESA-N 1 2 402.405 3.982 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3cccc4c3OCCO4)o2)cc1 ZINC000524305870 1013120473 /nfs/dbraw/zinc/12/04/73/1013120473.db2.gz FFFWTDSNFIHABY-KRWDZBQOSA-N 1 2 408.414 3.753 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H]3c3cccc4c3OCCO4)o2)cc1 ZINC000524305870 1013120480 /nfs/dbraw/zinc/12/04/80/1013120480.db2.gz FFFWTDSNFIHABY-KRWDZBQOSA-N 1 2 408.414 3.753 20 5 HHBDLO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000008319621 961515647 /nfs/dbraw/zinc/51/56/47/961515647.db2.gz OKLKIURVVXMQTB-INIZCTEOSA-N 1 2 417.849 3.795 20 5 HHBDLO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000008319621 961515660 /nfs/dbraw/zinc/51/56/60/961515660.db2.gz OKLKIURVVXMQTB-INIZCTEOSA-N 1 2 417.849 3.795 20 5 HHBDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000553407140 1013333445 /nfs/dbraw/zinc/33/34/45/1013333445.db2.gz YXVODTUUYLCZDX-ZDUSSCGKSA-N 1 2 413.865 3.780 20 5 HHBDLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nc3ccccc3c3nc4ccccc4n32)CC1 ZINC000021128385 963420950 /nfs/dbraw/zinc/42/09/50/963420950.db2.gz KAGXZWFQWSMYPU-INIZCTEOSA-N 1 2 419.554 3.680 20 5 HHBDLO C[NH+](C)[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccsc1 ZINC000025331958 964244380 /nfs/dbraw/zinc/24/43/80/964244380.db2.gz SJBRXOPCBKGMSM-OAQYLSRUSA-N 1 2 405.523 3.635 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000050231494 964291116 /nfs/dbraw/zinc/29/11/16/964291116.db2.gz KZIMXIHERALHQX-GOSISDBHSA-N 1 2 401.438 3.662 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000050231494 964291128 /nfs/dbraw/zinc/29/11/28/964291128.db2.gz KZIMXIHERALHQX-GOSISDBHSA-N 1 2 401.438 3.662 20 5 HHBDLO C[N@@H+]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](c2ccccc2)C1 ZINC000050293639 964303616 /nfs/dbraw/zinc/30/36/16/964303616.db2.gz DDRVWCLQLJGBQG-IBGZPJMESA-N 1 2 408.483 3.847 20 5 HHBDLO C[N@H+]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](c2ccccc2)C1 ZINC000050293639 964303632 /nfs/dbraw/zinc/30/36/32/964303632.db2.gz DDRVWCLQLJGBQG-IBGZPJMESA-N 1 2 408.483 3.847 20 5 HHBDLO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000025556435 964306170 /nfs/dbraw/zinc/30/61/70/964306170.db2.gz FZNKZXRJSOEGDA-JKSUJKDBSA-N 1 2 416.909 3.636 20 5 HHBDLO O=C(CC[NH+]1CCN(Cc2cccc3ccccc32)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000026260147 964508310 /nfs/dbraw/zinc/50/83/10/964508310.db2.gz FWGULHUDKANXDX-UHFFFAOYSA-N 1 2 418.497 3.894 20 5 HHBDLO CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000052398384 964896215 /nfs/dbraw/zinc/89/62/15/964896215.db2.gz AZXPJUZZEHUZPS-UHFFFAOYSA-N 1 2 405.458 3.653 20 5 HHBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCCc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000054382888 965494995 /nfs/dbraw/zinc/49/49/95/965494995.db2.gz JAHHARJFEGFHNM-AWEZNQCLSA-N 1 2 403.508 3.647 20 5 HHBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000054382888 965495002 /nfs/dbraw/zinc/49/50/02/965495002.db2.gz JAHHARJFEGFHNM-AWEZNQCLSA-N 1 2 403.508 3.647 20 5 HHBDLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000054390803 965499970 /nfs/dbraw/zinc/49/99/70/965499970.db2.gz OKJZXUWCCUWSBD-ZDUSSCGKSA-N 1 2 407.430 3.723 20 5 HHBDLO CC(=O)Nc1cccc2c1CC[N@H+]([C@@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000054390803 965499979 /nfs/dbraw/zinc/49/99/79/965499979.db2.gz OKJZXUWCCUWSBD-ZDUSSCGKSA-N 1 2 407.430 3.723 20 5 HHBDLO O=[N+]([O-])c1cccc(OCC[NH+]2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1 ZINC000058563482 965785395 /nfs/dbraw/zinc/78/53/95/965785395.db2.gz OCBFATIZFOTULC-UHFFFAOYSA-N 1 2 424.526 3.915 20 5 HHBDLO O=C(NCc1cc(F)ccc1Br)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000059799009 966031474 /nfs/dbraw/zinc/03/14/74/966031474.db2.gz NXJOXWQJDBQDEQ-UHFFFAOYSA-N 1 2 419.210 3.612 20 5 HHBDLO O=C(NCc1cc(F)cc(Br)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000059824922 966033181 /nfs/dbraw/zinc/03/31/81/966033181.db2.gz VJULGIQYHHBUSU-UHFFFAOYSA-N 1 2 419.210 3.612 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000032052140 966184497 /nfs/dbraw/zinc/18/44/97/966184497.db2.gz USSCZNIAEAIAIA-KRWDZBQOSA-N 1 2 420.425 3.529 20 5 HHBDLO O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032057637 966185636 /nfs/dbraw/zinc/18/56/36/966185636.db2.gz DPWNDQKSFAIFNP-UHFFFAOYSA-N 1 2 420.347 3.652 20 5 HHBDLO CN(CCOc1cccc(Cl)c1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000033223301 966396410 /nfs/dbraw/zinc/39/64/10/966396410.db2.gz ZXJBNCAGOWJNDP-UHFFFAOYSA-N 1 2 400.822 3.585 20 5 HHBDLO COc1cccc(C[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@@H]2CCCO2)c1 ZINC000064400443 967172130 /nfs/dbraw/zinc/17/21/30/967172130.db2.gz KZXDMACTLOTJTG-IBGZPJMESA-N 1 2 413.474 3.532 20 5 HHBDLO COc1cccc(C[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@@H]2CCCO2)c1 ZINC000064400443 967172131 /nfs/dbraw/zinc/17/21/31/967172131.db2.gz KZXDMACTLOTJTG-IBGZPJMESA-N 1 2 413.474 3.532 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000064963505 967341028 /nfs/dbraw/zinc/34/10/28/967341028.db2.gz VZFMBWLBBYUGTD-IBGZPJMESA-N 1 2 424.432 3.741 20 5 HHBDLO Cc1cc(C)c([N+](=O)[O-])c(Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)n1 ZINC000542864423 1013718580 /nfs/dbraw/zinc/71/85/80/1013718580.db2.gz MGDDYBIUNDPPMN-UHFFFAOYSA-N 1 2 410.503 3.934 20 5 HHBDLO CCOC(=O)c1sc2nc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)nc(N)c2c1C ZINC000538180360 1013739198 /nfs/dbraw/zinc/73/91/98/1013739198.db2.gz NZGDVLRFSJFZIH-LLVKDONJSA-N 1 2 415.475 3.518 20 5 HHBDLO CCOc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000046344147 967754412 /nfs/dbraw/zinc/75/44/12/967754412.db2.gz DZGPYOPYNGMSOE-HZPDHXFCSA-N 1 2 413.474 3.855 20 5 HHBDLO O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000047166334 968072830 /nfs/dbraw/zinc/07/28/30/968072830.db2.gz NKBMELOEEADOJI-UHFFFAOYSA-N 1 2 415.409 3.898 20 5 HHBDLO CC1CC[NH+]([C@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c2ccccc2)CC1 ZINC000072006980 968929803 /nfs/dbraw/zinc/92/98/03/968929803.db2.gz DQFPSGQGIXZUSG-HXUWFJFHSA-N 1 2 407.474 3.674 20 5 HHBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000098078037 969192414 /nfs/dbraw/zinc/19/24/14/969192414.db2.gz VACNKMMHAOGOEV-HNNXBMFYSA-N 1 2 401.488 3.546 20 5 HHBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000108989083 969445318 /nfs/dbraw/zinc/44/53/18/969445318.db2.gz LXQPVEOYFRUFTO-UHFFFAOYSA-N 1 2 423.448 3.840 20 5 HHBDLO O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCCCCNc1cccc[nH+]1 ZINC000110492013 969676307 /nfs/dbraw/zinc/67/63/07/969676307.db2.gz ZHAHJTLJMFURJU-UHFFFAOYSA-N 1 2 418.397 3.588 20 5 HHBDLO COc1ccc(OC)c(C[NH+]2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)c1 ZINC000111105470 969778572 /nfs/dbraw/zinc/77/85/72/969778572.db2.gz KUVQCHCZQNGDOY-UHFFFAOYSA-N 1 2 414.487 3.544 20 5 HHBDLO Cn1ccnc1Sc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000116550309 969903633 /nfs/dbraw/zinc/90/36/33/969903633.db2.gz AVUNFPKVXKENCI-UHFFFAOYSA-N 1 2 420.454 3.918 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000165110313 970454094 /nfs/dbraw/zinc/45/40/94/970454094.db2.gz NQEKVJYZQGWIEW-QFIPXVFZSA-N 1 2 418.453 3.811 20 5 HHBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410259951 973769457 /nfs/dbraw/zinc/76/94/57/973769457.db2.gz ZOBOSGDOMBBJGC-OAHLLOKOSA-N 1 2 402.882 3.730 20 5 HHBDLO O=C(CSc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410283317 973806923 /nfs/dbraw/zinc/80/69/23/973806923.db2.gz RTSRUCVCWIIAPC-HNNXBMFYSA-N 1 2 400.504 3.626 20 5 HHBDLO COc1cc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000426371905 974419023 /nfs/dbraw/zinc/41/90/23/974419023.db2.gz NEWPUWXTSXEPES-UHFFFAOYSA-N 1 2 421.453 3.841 20 5 HHBDLO COc1cc(C[N@H+]2CCc3cc[nH]c(=O)c3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000426371905 974419029 /nfs/dbraw/zinc/41/90/29/974419029.db2.gz NEWPUWXTSXEPES-UHFFFAOYSA-N 1 2 421.453 3.841 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000427037858 974848006 /nfs/dbraw/zinc/84/80/06/974848006.db2.gz XVFMOGVSUMCTDI-HKUYNNGSSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000427037858 974848013 /nfs/dbraw/zinc/84/80/13/974848013.db2.gz XVFMOGVSUMCTDI-HKUYNNGSSA-N 1 2 421.856 3.961 20 5 HHBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000427448358 975123608 /nfs/dbraw/zinc/12/36/08/975123608.db2.gz HXCYKSLHQGNFKQ-GOSISDBHSA-N 1 2 420.469 3.927 20 5 HHBDLO CC(C)(c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)c1ccccc1[N+](=O)[O-] ZINC000427654520 975226391 /nfs/dbraw/zinc/22/63/91/975226391.db2.gz NXSFRZAVJUFMAF-UHFFFAOYSA-N 1 2 408.458 3.803 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000430435979 977547665 /nfs/dbraw/zinc/54/76/65/977547665.db2.gz CLZDJDIOMIRXSW-FQEVSTJZSA-N 1 2 420.469 3.644 20 5 HHBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000430501273 977603747 /nfs/dbraw/zinc/60/37/47/977603747.db2.gz RTUNKVFMCSUYAP-UHFFFAOYSA-N 1 2 413.522 3.509 20 5 HHBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c(C)c1 ZINC000430803110 977766078 /nfs/dbraw/zinc/76/60/78/977766078.db2.gz QDLPYTPFQHOCAH-HXUWFJFHSA-N 1 2 408.458 3.653 20 5 HHBDLO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000432941238 979017535 /nfs/dbraw/zinc/01/75/35/979017535.db2.gz UXQMLRMZNRQTJM-CQSZACIVSA-N 1 2 415.247 3.958 20 5 HHBDLO C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000433048024 979051516 /nfs/dbraw/zinc/05/15/16/979051516.db2.gz YRYBTVRHHMZFLG-BJLXPSRBSA-N 1 2 424.526 3.790 20 5 HHBDLO C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000433048024 979051519 /nfs/dbraw/zinc/05/15/19/979051519.db2.gz YRYBTVRHHMZFLG-BJLXPSRBSA-N 1 2 424.526 3.790 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(c2ncc(C)s2)CC1 ZINC000433152644 979102213 /nfs/dbraw/zinc/10/22/13/979102213.db2.gz SJZLRPOIQATJFW-ZDUSSCGKSA-N 1 2 404.492 3.575 20 5 HHBDLO CCOc1cc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c([N+](=O)[O-])cc1OCC ZINC000435073117 980616742 /nfs/dbraw/zinc/61/67/42/980616742.db2.gz KBDUMMZRHZCMKV-UHFFFAOYSA-N 1 2 403.439 3.527 20 5 HHBDLO CCOc1cc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c([N+](=O)[O-])cc1OCC ZINC000435073117 980616747 /nfs/dbraw/zinc/61/67/47/980616747.db2.gz KBDUMMZRHZCMKV-UHFFFAOYSA-N 1 2 403.439 3.527 20 5 HHBDLO Cc1c(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435330788 980789322 /nfs/dbraw/zinc/78/93/22/980789322.db2.gz WGFOZAAPBMVSKB-LLVKDONJSA-N 1 2 408.256 3.800 20 5 HHBDLO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435826217 981048200 /nfs/dbraw/zinc/04/82/00/981048200.db2.gz NBGIXYJHGKQBJG-NRFANRHFSA-N 1 2 401.466 3.841 20 5 HHBDLO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435827808 981048910 /nfs/dbraw/zinc/04/89/10/981048910.db2.gz SZNVBUKFGISEMB-IBGZPJMESA-N 1 2 419.456 3.980 20 5 HHBDLO COc1ccccc1[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[NH+](C)C ZINC000435837856 981054316 /nfs/dbraw/zinc/05/43/16/981054316.db2.gz WOYQBCNZWWXREP-QFIPXVFZSA-N 1 2 415.493 3.723 20 5 HHBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436091318 981195423 /nfs/dbraw/zinc/19/54/23/981195423.db2.gz NXYARCGRBPNONB-UHFFFAOYSA-N 1 2 408.461 3.856 20 5 HHBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000437002528 981679305 /nfs/dbraw/zinc/67/93/05/981679305.db2.gz YNZSANBTPOQVJF-SFHVURJKSA-N 1 2 421.457 3.505 20 5 HHBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000437002528 981679311 /nfs/dbraw/zinc/67/93/11/981679311.db2.gz YNZSANBTPOQVJF-SFHVURJKSA-N 1 2 421.457 3.505 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437927038 982467218 /nfs/dbraw/zinc/46/72/18/982467218.db2.gz OSAGEOYEOAFBOE-UHFFFAOYSA-N 1 2 409.490 3.854 20 5 HHBDLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)cc2)c1C ZINC000461220095 982931110 /nfs/dbraw/zinc/93/11/10/982931110.db2.gz RVIUZAXBJJATAA-UHFFFAOYSA-N 1 2 400.460 3.815 20 5 HHBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000439488158 983427175 /nfs/dbraw/zinc/42/71/75/983427175.db2.gz YKLOOYVVASDHBN-UHFFFAOYSA-N 1 2 424.432 3.962 20 5 HHBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000439488158 983427176 /nfs/dbraw/zinc/42/71/76/983427176.db2.gz YKLOOYVVASDHBN-UHFFFAOYSA-N 1 2 424.432 3.962 20 5 HHBDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000439795952 983542618 /nfs/dbraw/zinc/54/26/18/983542618.db2.gz VWONQUUQDAFVSP-VGOFRKELSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000439795952 983542621 /nfs/dbraw/zinc/54/26/21/983542621.db2.gz VWONQUUQDAFVSP-VGOFRKELSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000439795950 983542768 /nfs/dbraw/zinc/54/27/68/983542768.db2.gz VWONQUUQDAFVSP-HTAPYJJXSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000439795950 983542773 /nfs/dbraw/zinc/54/27/73/983542773.db2.gz VWONQUUQDAFVSP-HTAPYJJXSA-N 1 2 410.518 3.979 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000439913636 983581366 /nfs/dbraw/zinc/58/13/66/983581366.db2.gz MDPKSOGIMMTUJB-UHFFFAOYSA-N 1 2 401.467 3.914 20 5 HHBDLO Cc1cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461778254 984775209 /nfs/dbraw/zinc/77/52/09/984775209.db2.gz OKHNNIKCMIPHRZ-INIZCTEOSA-N 1 2 405.442 3.542 20 5 HHBDLO COc1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)cc1[N+](=O)[O-] ZINC000462380469 985363128 /nfs/dbraw/zinc/36/31/28/985363128.db2.gz LPNFFULTHSDQBZ-AWEZNQCLSA-N 1 2 419.503 3.764 20 5 HHBDLO COc1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)cc1[N+](=O)[O-] ZINC000462380469 985363149 /nfs/dbraw/zinc/36/31/49/985363149.db2.gz LPNFFULTHSDQBZ-AWEZNQCLSA-N 1 2 419.503 3.764 20 5 HHBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000463038365 985998113 /nfs/dbraw/zinc/99/81/13/985998113.db2.gz PWLFUAKTHZMWPD-GFCCVEGCSA-N 1 2 411.430 3.777 20 5 HHBDLO Cn1cnc([N+](=O)[O-])c1N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000443881824 986082653 /nfs/dbraw/zinc/08/26/53/986082653.db2.gz HVZCAQOJLCMVKI-IBGZPJMESA-N 1 2 411.893 3.893 20 5 HHBDLO CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000468687500 986399764 /nfs/dbraw/zinc/39/97/64/986399764.db2.gz KAPBKSBUIOAGQH-AWEZNQCLSA-N 1 2 404.854 3.544 20 5 HHBDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000468687500 986399778 /nfs/dbraw/zinc/39/97/78/986399778.db2.gz KAPBKSBUIOAGQH-AWEZNQCLSA-N 1 2 404.854 3.544 20 5 HHBDLO CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC000468688917 986400570 /nfs/dbraw/zinc/40/05/70/986400570.db2.gz QYUYBIQAGKIBJD-INIZCTEOSA-N 1 2 400.504 3.558 20 5 HHBDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC000468688917 986400571 /nfs/dbraw/zinc/40/05/71/986400571.db2.gz QYUYBIQAGKIBJD-INIZCTEOSA-N 1 2 400.504 3.558 20 5 HHBDLO CC(C)(C)OC1CC[NH+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000468797634 986507159 /nfs/dbraw/zinc/50/71/59/986507159.db2.gz CBRXLDORTGPWPZ-UHFFFAOYSA-N 1 2 418.519 3.936 20 5 HHBDLO CN(c1ccccc1)c1ccc(C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000463746021 986734594 /nfs/dbraw/zinc/73/45/94/986734594.db2.gz DSDIKDWUQCRUTO-NRFANRHFSA-N 1 2 408.433 3.818 20 5 HHBDLO CC1CCN(c2ccc(C(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)cc2[N+](=O)[O-])CC1 ZINC000444673966 986856676 /nfs/dbraw/zinc/85/66/76/986856676.db2.gz JVSOOAHNRIOGHC-GOSISDBHSA-N 1 2 411.506 3.584 20 5 HHBDLO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444833218 986990725 /nfs/dbraw/zinc/99/07/25/986990725.db2.gz IEJDEFBVVSLPFK-FQEVSTJZSA-N 1 2 401.466 3.841 20 5 HHBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000470179037 988095236 /nfs/dbraw/zinc/09/52/36/988095236.db2.gz RMJHIUMINUKIPI-PTNGSMBKSA-N 1 2 401.413 3.734 20 5 HHBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000464719964 988935737 /nfs/dbraw/zinc/93/57/37/988935737.db2.gz NIIMMVGIQJSHAT-UHFFFAOYSA-N 1 2 407.430 3.635 20 5 HHBDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464778872 989005564 /nfs/dbraw/zinc/00/55/64/989005564.db2.gz SOVNAODEPBHANV-HNNXBMFYSA-N 1 2 401.438 3.913 20 5 HHBDLO O=C(NC1CC1)[C@H](c1ccc(F)cc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464782599 989011104 /nfs/dbraw/zinc/01/11/04/989011104.db2.gz YOMDLFDPEPLQLT-NRFANRHFSA-N 1 2 413.449 3.597 20 5 HHBDLO COCc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000467015796 992322932 /nfs/dbraw/zinc/32/29/32/992322932.db2.gz IYJFKFKPYKVLGA-DYVFJYSZSA-N 1 2 403.435 3.507 20 5 HHBDLO COCc1ccc([C@@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000467015796 992322943 /nfs/dbraw/zinc/32/29/43/992322943.db2.gz IYJFKFKPYKVLGA-DYVFJYSZSA-N 1 2 403.435 3.507 20 5 HHBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000467233275 992555613 /nfs/dbraw/zinc/55/56/13/992555613.db2.gz REEIXLMPSCLGNQ-ZDUSSCGKSA-N 1 2 408.911 3.898 20 5 HHBDLO COc1cccc(C=C2CC[NH+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)c1 ZINC000473009168 993934383 /nfs/dbraw/zinc/93/43/83/993934383.db2.gz FYQSSYFKLOJEAT-QFIPXVFZSA-N 1 2 407.470 3.888 20 5 HHBDLO C[C@H](C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000474644504 995590147 /nfs/dbraw/zinc/59/01/47/995590147.db2.gz NDFUQIFNTJGMDK-ZDUSSCGKSA-N 1 2 405.857 3.665 20 5 HHBDLO C[C@H](C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000474644504 995590154 /nfs/dbraw/zinc/59/01/54/995590154.db2.gz NDFUQIFNTJGMDK-ZDUSSCGKSA-N 1 2 405.857 3.665 20 5 HHBDLO CCOc1cc(N2CC[NH+](Cc3cnc(N(CC)CC)s3)CC2)ccc1[N+](=O)[O-] ZINC000475494543 996178757 /nfs/dbraw/zinc/17/87/57/996178757.db2.gz JJNGBURNEBEXGG-UHFFFAOYSA-N 1 2 419.551 3.618 20 5 HHBDLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC2)cc1 ZINC000475562726 996220437 /nfs/dbraw/zinc/22/04/37/996220437.db2.gz GXCZGVJKVXEFMM-UHFFFAOYSA-N 1 2 412.490 3.960 20 5 HHBDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000476144824 996632684 /nfs/dbraw/zinc/63/26/84/996632684.db2.gz JOLARXGAHISTPI-ZDUSSCGKSA-N 1 2 407.854 3.695 20 5 HHBDLO COc1cc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000485828362 998294185 /nfs/dbraw/zinc/29/41/85/998294185.db2.gz YQPHKZHPQBFRGW-UHFFFAOYSA-N 1 2 403.866 3.605 20 5 HHBDLO COc1cc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000485828362 998294195 /nfs/dbraw/zinc/29/41/95/998294195.db2.gz YQPHKZHPQBFRGW-UHFFFAOYSA-N 1 2 403.866 3.605 20 5 HHBDLO CCS[C@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000485969098 998410668 /nfs/dbraw/zinc/41/06/68/998410668.db2.gz VLLOUOHPHUSXEV-CYBMUJFWSA-N 1 2 407.496 3.561 20 5 HHBDLO CCS[C@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000485969098 998410674 /nfs/dbraw/zinc/41/06/74/998410674.db2.gz VLLOUOHPHUSXEV-CYBMUJFWSA-N 1 2 407.496 3.561 20 5 HHBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H](C)O1 ZINC000486011167 998455966 /nfs/dbraw/zinc/45/59/66/998455966.db2.gz BAQAPJAEZKGRRV-GJZGRUSLSA-N 1 2 408.458 3.938 20 5 HHBDLO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000486222975 998658748 /nfs/dbraw/zinc/65/87/48/998658748.db2.gz ZLWYDDJLJQGDGP-UHFFFAOYSA-N 1 2 413.865 3.535 20 5 HHBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cccc(SC)c3[N+](=O)[O-])CC2)c1 ZINC000486237410 998667708 /nfs/dbraw/zinc/66/77/08/998667708.db2.gz XPLPYBGSNOLKNE-HNNXBMFYSA-N 1 2 415.515 3.844 20 5 HHBDLO CSc1cccc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c1[N+](=O)[O-] ZINC000486435891 998766707 /nfs/dbraw/zinc/76/67/07/998766707.db2.gz OVPNCYBWDOKXNR-UHFFFAOYSA-N 1 2 401.488 3.710 20 5 HHBDLO C[C@@H](CF)[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000487876064 999301811 /nfs/dbraw/zinc/30/18/11/999301811.db2.gz IDQQPFUGNMWANE-MEDUHNTESA-N 1 2 410.243 3.985 20 5 HHBDLO O=C(NCCCCc1ccc(F)c(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000479237200 999338861 /nfs/dbraw/zinc/33/88/61/999338861.db2.gz BZUNJLJVGGJDKB-UHFFFAOYSA-N 1 2 400.385 3.811 20 5 HHBDLO CCC(=O)c1ccc(NCC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c([N+](=O)[O-])c1 ZINC000479369932 999407583 /nfs/dbraw/zinc/40/75/83/999407583.db2.gz FESYOMRTWDXCBI-UHFFFAOYSA-N 1 2 413.474 3.675 20 5 HHBDLO CCC(=O)c1ccc(NCC[N@H+]2CCc3cc(OC)c(OC)cc3C2)c([N+](=O)[O-])c1 ZINC000479369932 999407589 /nfs/dbraw/zinc/40/75/89/999407589.db2.gz FESYOMRTWDXCBI-UHFFFAOYSA-N 1 2 413.474 3.675 20 5 HHBDLO CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000479655460 999522930 /nfs/dbraw/zinc/52/29/30/999522930.db2.gz MHFCZUDZUKVKIL-ORAYPTAESA-N 1 2 414.849 3.940 20 5 HHBDLO COc1cccc(C2=CC[N@@H+]([C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)CC2)c1 ZINC000479883854 999635821 /nfs/dbraw/zinc/63/58/21/999635821.db2.gz IDYPDOVQLAROOL-OAHLLOKOSA-N 1 2 411.458 3.728 20 5 HHBDLO COc1cccc(C2=CC[N@H+]([C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)CC2)c1 ZINC000479883854 999635823 /nfs/dbraw/zinc/63/58/23/999635823.db2.gz IDYPDOVQLAROOL-OAHLLOKOSA-N 1 2 411.458 3.728 20 5 HHBDLO COc1ccc(CCC(=O)N2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000489231981 999727252 /nfs/dbraw/zinc/72/72/52/999727252.db2.gz LIOFLEZXHKBJBF-SFHVURJKSA-N 1 2 411.502 3.750 20 5 HHBDLO COC(=O)c1cc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)c(C)c([N+](=O)[O-])c1 ZINC000489737258 999828234 /nfs/dbraw/zinc/82/82/34/999828234.db2.gz AYIGYYIQTDVRMM-QGZVFWFLSA-N 1 2 405.838 3.585 20 5 HHBDLO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)c([N+](=O)[O-])c1 ZINC000490040585 999883139 /nfs/dbraw/zinc/88/31/39/999883139.db2.gz FABIUZIDTCZHRT-SECBINFHSA-N 1 2 418.397 3.758 20 5 HHBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NCCc1nc2ccccc2s1 ZINC000490042753 999883382 /nfs/dbraw/zinc/88/33/82/999883382.db2.gz ASAUDGVEVFQWQU-UHFFFAOYSA-N 1 2 410.499 3.528 20 5 HHBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NCCc1nc2ccccc2s1 ZINC000490042753 999883384 /nfs/dbraw/zinc/88/33/84/999883384.db2.gz ASAUDGVEVFQWQU-UHFFFAOYSA-N 1 2 410.499 3.528 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000490054552 999886082 /nfs/dbraw/zinc/88/60/82/999886082.db2.gz CPZIXVAVWQIXPD-BDAKNGLRSA-N 1 2 418.397 3.757 20 5 HHBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000491107324 1000045969 /nfs/dbraw/zinc/04/59/69/1000045969.db2.gz FFWKKFVTWXAEQN-AWEZNQCLSA-N 1 2 402.344 3.624 20 5 HHBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000491107324 1000045972 /nfs/dbraw/zinc/04/59/72/1000045972.db2.gz FFWKKFVTWXAEQN-AWEZNQCLSA-N 1 2 402.344 3.624 20 5 HHBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)c(Cl)c1 ZINC000492194961 1000114691 /nfs/dbraw/zinc/11/46/91/1000114691.db2.gz UGCFOPJJGGMCPW-OAHLLOKOSA-N 1 2 403.635 3.973 20 5 HHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494293397 1000416791 /nfs/dbraw/zinc/41/67/91/1000416791.db2.gz OWWLRYRGUUUZPC-NSHDSACASA-N 1 2 410.243 3.955 20 5 HHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494293397 1000416796 /nfs/dbraw/zinc/41/67/96/1000416796.db2.gz OWWLRYRGUUUZPC-NSHDSACASA-N 1 2 410.243 3.955 20 5 HHBDLO CC(C)(C)OC(=O)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000494812192 1000671115 /nfs/dbraw/zinc/67/11/15/1000671115.db2.gz RNRYRNJTGQRNED-IBGZPJMESA-N 1 2 422.441 3.593 20 5 HHBDLO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505501167 1000839679 /nfs/dbraw/zinc/83/96/79/1000839679.db2.gz ZATMKNLEYDYGEJ-QFIPXVFZSA-N 1 2 401.441 3.607 20 5 HHBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000505501618 1000840335 /nfs/dbraw/zinc/84/03/35/1000840335.db2.gz RGPJPFCAJXBFRS-CQSZACIVSA-N 1 2 403.866 3.776 20 5 HHBDLO COc1ccccc1[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000505513836 1000852573 /nfs/dbraw/zinc/85/25/73/1000852573.db2.gz HXQMXOSTMVCBLE-KRWDZBQOSA-N 1 2 424.482 3.514 20 5 HHBDLO CCOc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)cc1[N+](=O)[O-] ZINC000505538410 1000887165 /nfs/dbraw/zinc/88/71/65/1000887165.db2.gz AQWQPEKKLWOPEL-MRXNPFEDSA-N 1 2 413.474 3.521 20 5 HHBDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC ZINC000497098462 1001269586 /nfs/dbraw/zinc/26/95/86/1001269586.db2.gz NOHASAOWUMJDEK-QGZVFWFLSA-N 1 2 410.430 3.999 20 5 HHBDLO COc1ccc([C@H]2CCC[N@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC ZINC000497098462 1001269593 /nfs/dbraw/zinc/26/95/93/1001269593.db2.gz NOHASAOWUMJDEK-QGZVFWFLSA-N 1 2 410.430 3.999 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(OC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000497421720 1001354588 /nfs/dbraw/zinc/35/45/88/1001354588.db2.gz YIHBLYNEKVNSRP-HNNXBMFYSA-N 1 2 405.495 3.744 20 5 HHBDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c(OC)c1 ZINC000506722224 1001505348 /nfs/dbraw/zinc/50/53/48/1001505348.db2.gz QSJIQDHCCOSZML-QGZVFWFLSA-N 1 2 402.447 3.966 20 5 HHBDLO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c(OC)c1 ZINC000506722224 1001505352 /nfs/dbraw/zinc/50/53/52/1001505352.db2.gz QSJIQDHCCOSZML-QGZVFWFLSA-N 1 2 402.447 3.966 20 5 HHBDLO COc1cc(C[NH+]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc(OC)c1OC ZINC000506808662 1001541518 /nfs/dbraw/zinc/54/15/18/1001541518.db2.gz YWUOMELVSNXULA-UHFFFAOYSA-N 1 2 421.881 3.596 20 5 HHBDLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000507457538 1002081767 /nfs/dbraw/zinc/08/17/67/1002081767.db2.gz CRIFZUBFSNFOEM-UHFFFAOYSA-N 1 2 421.501 3.991 20 5 HHBDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000507457538 1002081760 /nfs/dbraw/zinc/08/17/60/1002081760.db2.gz CRIFZUBFSNFOEM-UHFFFAOYSA-N 1 2 421.501 3.991 20 5 HHBDLO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c3ncccc23)[NH+]2CCOCC2)cc1 ZINC000499656625 1003017201 /nfs/dbraw/zinc/01/72/01/1003017201.db2.gz LJRAUCBWZRRXRC-OAQYLSRUSA-N 1 2 408.458 3.637 20 5 HHBDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000500038251 1003364315 /nfs/dbraw/zinc/36/43/15/1003364315.db2.gz VCQAONXGTIXYLO-APWZRJJASA-N 1 2 420.872 3.923 20 5 HHBDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000500038251 1003364328 /nfs/dbraw/zinc/36/43/28/1003364328.db2.gz VCQAONXGTIXYLO-APWZRJJASA-N 1 2 420.872 3.923 20 5 HHBDLO CCOCCCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000500718879 1003918269 /nfs/dbraw/zinc/91/82/69/1003918269.db2.gz ZKCIAFKELFGAQK-UHFFFAOYSA-N 1 2 417.531 3.784 20 5 HHBDLO O=[N+]([O-])c1ccc2[nH]cc(-c3nc([C@H]4C[N@H+](Cc5ccccc5)CCO4)no3)c2c1 ZINC000500829896 1003988258 /nfs/dbraw/zinc/98/82/58/1003988258.db2.gz AMHPUNKBQWYOKV-LJQANCHMSA-N 1 2 405.414 3.700 20 5 HHBDLO O=[N+]([O-])c1ccc2[nH]cc(-c3nc([C@H]4C[N@@H+](Cc5ccccc5)CCO4)no3)c2c1 ZINC000500829896 1003988267 /nfs/dbraw/zinc/98/82/67/1003988267.db2.gz AMHPUNKBQWYOKV-LJQANCHMSA-N 1 2 405.414 3.700 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c(Cl)c1 ZINC000500829911 1003988296 /nfs/dbraw/zinc/98/82/96/1003988296.db2.gz AOQOHXKKRRMMNX-QGZVFWFLSA-N 1 2 400.822 3.872 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c(Cl)c1 ZINC000500829911 1003988302 /nfs/dbraw/zinc/98/83/02/1003988302.db2.gz AOQOHXKKRRMMNX-QGZVFWFLSA-N 1 2 400.822 3.872 20 5 HHBDLO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509644510 1004002384 /nfs/dbraw/zinc/00/23/84/1004002384.db2.gz SPMUVCZAGOMNLT-LBPRGKRZSA-N 1 2 423.382 3.886 20 5 HHBDLO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509644510 1004002392 /nfs/dbraw/zinc/00/23/92/1004002392.db2.gz SPMUVCZAGOMNLT-LBPRGKRZSA-N 1 2 423.382 3.886 20 5 HHBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000509807733 1004113196 /nfs/dbraw/zinc/11/31/96/1004113196.db2.gz PPNXCAWFKJOMFX-UHFFFAOYSA-N 1 2 407.474 3.960 20 5 HHBDLO O=C(CC[N@@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501039329 1004140914 /nfs/dbraw/zinc/14/09/14/1004140914.db2.gz WHHLCPUWMAYNNG-GOSISDBHSA-N 1 2 421.400 3.598 20 5 HHBDLO O=C(CC[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501039329 1004140921 /nfs/dbraw/zinc/14/09/21/1004140921.db2.gz WHHLCPUWMAYNNG-GOSISDBHSA-N 1 2 421.400 3.598 20 5 HHBDLO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000510195709 1004389330 /nfs/dbraw/zinc/38/93/30/1004389330.db2.gz UXBHXJYAIKDSLS-JXFKEZNVSA-N 1 2 418.515 3.850 20 5 HHBDLO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000510195709 1004389337 /nfs/dbraw/zinc/38/93/37/1004389337.db2.gz UXBHXJYAIKDSLS-JXFKEZNVSA-N 1 2 418.515 3.850 20 5 HHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000512656541 1004466945 /nfs/dbraw/zinc/46/69/45/1004466945.db2.gz JWKGWYZEQDMKHA-UHFFFAOYSA-N 1 2 408.805 3.872 20 5 HHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510436284 1004565142 /nfs/dbraw/zinc/56/51/42/1004565142.db2.gz ZLEVYIWXIMYACK-CJNGLKHVSA-N 1 2 413.865 3.872 20 5 HHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510436284 1004565149 /nfs/dbraw/zinc/56/51/49/1004565149.db2.gz ZLEVYIWXIMYACK-CJNGLKHVSA-N 1 2 413.865 3.872 20 5 HHBDLO COc1cc(C[NH2+]Cc2c(OC)cccc2OC(F)(F)F)c([N+](=O)[O-])cc1O ZINC000513001173 1004752856 /nfs/dbraw/zinc/75/28/56/1004752856.db2.gz BNMMMQQFVBRIMA-UHFFFAOYSA-N 1 2 402.325 3.506 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510641391 1004772428 /nfs/dbraw/zinc/77/24/28/1004772428.db2.gz QUFBXMNHJSZJRU-FQEVSTJZSA-N 1 2 411.502 3.707 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510641391 1004772439 /nfs/dbraw/zinc/77/24/39/1004772439.db2.gz QUFBXMNHJSZJRU-FQEVSTJZSA-N 1 2 411.502 3.707 20 5 HHBDLO COC(=O)C[C@@](C)([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(F)c1 ZINC000513144347 1004829681 /nfs/dbraw/zinc/82/96/81/1004829681.db2.gz KGTNPEROTFRNNH-OAQYLSRUSA-N 1 2 413.405 3.957 20 5 HHBDLO COc1ccccc1O[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000513391243 1004939981 /nfs/dbraw/zinc/93/99/81/1004939981.db2.gz AGMGVJAEFTZYLT-KRWDZBQOSA-N 1 2 410.430 3.697 20 5 HHBDLO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000513391243 1004939991 /nfs/dbraw/zinc/93/99/91/1004939991.db2.gz AGMGVJAEFTZYLT-KRWDZBQOSA-N 1 2 410.430 3.697 20 5 HHBDLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000514081617 1005257386 /nfs/dbraw/zinc/25/73/86/1005257386.db2.gz CSECSXSUPSLEEW-OLZOCXBDSA-N 1 2 414.466 3.895 20 5 HHBDLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000514081617 1005257388 /nfs/dbraw/zinc/25/73/88/1005257388.db2.gz CSECSXSUPSLEEW-OLZOCXBDSA-N 1 2 414.466 3.895 20 5 HHBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000511785058 1005326711 /nfs/dbraw/zinc/32/67/11/1005326711.db2.gz MFZPVROUYOYDGL-WOJBJXKFSA-N 1 2 418.444 3.502 20 5 HHBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000511785058 1005326713 /nfs/dbraw/zinc/32/67/13/1005326713.db2.gz MFZPVROUYOYDGL-WOJBJXKFSA-N 1 2 418.444 3.502 20 5 HHBDLO CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)[NH+]1CCOCC1 ZINC000514470796 1005999870 /nfs/dbraw/zinc/99/98/70/1005999870.db2.gz VUXXYLQNOZJYQP-UHFFFAOYSA-N 1 2 415.515 3.587 20 5 HHBDLO C[C@H](Cc1nc2ccccc2s1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000532059831 1006609608 /nfs/dbraw/zinc/60/96/08/1006609608.db2.gz ZFNUBZNTJHVSTE-CYBMUJFWSA-N 1 2 407.455 3.751 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(Oc4ccc(F)cc4F)CC3)n2)cc1 ZINC000532472264 1006911640 /nfs/dbraw/zinc/91/16/40/1006911640.db2.gz ARSQZSPYFHBTGT-UHFFFAOYSA-N 1 2 416.384 3.966 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000532556601 1006990058 /nfs/dbraw/zinc/99/00/58/1006990058.db2.gz QCQRAZBFMYZLKU-UHFFFAOYSA-N 1 2 405.495 3.602 20 5 HHBDLO O=C(C[N@@H+]1CC[C@@H](Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000532575229 1007006336 /nfs/dbraw/zinc/00/63/36/1007006336.db2.gz NIWJKUOQDINZAD-HNNXBMFYSA-N 1 2 418.291 3.860 20 5 HHBDLO O=C(C[N@H+]1CC[C@@H](Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000532575229 1007006350 /nfs/dbraw/zinc/00/63/50/1007006350.db2.gz NIWJKUOQDINZAD-HNNXBMFYSA-N 1 2 418.291 3.860 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535127708 1007162681 /nfs/dbraw/zinc/16/26/81/1007162681.db2.gz NENRTJNGFFZOLG-WMZOPIPTSA-N 1 2 407.829 3.571 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535127708 1007162690 /nfs/dbraw/zinc/16/26/90/1007162690.db2.gz NENRTJNGFFZOLG-WMZOPIPTSA-N 1 2 407.829 3.571 20 5 HHBDLO C[N@H+](Cc1ccc(Br)s1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000532771274 1007173400 /nfs/dbraw/zinc/17/34/00/1007173400.db2.gz KTSMWKYHFRQJPN-CQSZACIVSA-N 1 2 410.293 3.656 20 5 HHBDLO C[N@@H+](Cc1ccc(Br)s1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000532771274 1007173406 /nfs/dbraw/zinc/17/34/06/1007173406.db2.gz KTSMWKYHFRQJPN-CQSZACIVSA-N 1 2 410.293 3.656 20 5 HHBDLO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(SC)cc1OC ZINC000532970908 1007339088 /nfs/dbraw/zinc/33/90/88/1007339088.db2.gz APIYDBVTHLUMMV-CYBMUJFWSA-N 1 2 419.503 3.793 20 5 HHBDLO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(SC)cc1OC ZINC000532970908 1007339102 /nfs/dbraw/zinc/33/91/02/1007339102.db2.gz APIYDBVTHLUMMV-CYBMUJFWSA-N 1 2 419.503 3.793 20 5 HHBDLO C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000533071236 1007433576 /nfs/dbraw/zinc/43/35/76/1007433576.db2.gz NJLFWWXRNUGRCR-CQSZACIVSA-N 1 2 405.401 3.715 20 5 HHBDLO O=C1CCCN1C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000539219513 1007510274 /nfs/dbraw/zinc/51/02/74/1007510274.db2.gz PKRUKBULKKYVJD-FQEVSTJZSA-N 1 2 406.442 3.703 20 5 HHBDLO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccc(OC)cc1OC ZINC000533256597 1007574813 /nfs/dbraw/zinc/57/48/13/1007574813.db2.gz WISLRGSFWMPXDW-UHFFFAOYSA-N 1 2 407.854 3.726 20 5 HHBDLO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccc(OC)cc1OC ZINC000533256597 1007574817 /nfs/dbraw/zinc/57/48/17/1007574817.db2.gz WISLRGSFWMPXDW-UHFFFAOYSA-N 1 2 407.854 3.726 20 5 HHBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000533394046 1007705557 /nfs/dbraw/zinc/70/55/57/1007705557.db2.gz QYRZMLSRBATKRR-UHFFFAOYSA-N 1 2 405.454 3.585 20 5 HHBDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000533483313 1007791881 /nfs/dbraw/zinc/79/18/81/1007791881.db2.gz QSLMQUPTEPVGFI-CQSZACIVSA-N 1 2 402.451 3.589 20 5 HHBDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000533483313 1007791887 /nfs/dbraw/zinc/79/18/87/1007791887.db2.gz QSLMQUPTEPVGFI-CQSZACIVSA-N 1 2 402.451 3.589 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535867270 1007883567 /nfs/dbraw/zinc/88/35/67/1007883567.db2.gz OBOYFWJHPSXRQU-QZTJIDSGSA-N 1 2 406.845 3.632 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535867270 1007883591 /nfs/dbraw/zinc/88/35/91/1007883591.db2.gz OBOYFWJHPSXRQU-QZTJIDSGSA-N 1 2 406.845 3.632 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535867272 1007885378 /nfs/dbraw/zinc/88/53/78/1007885378.db2.gz OBOYFWJHPSXRQU-ZWKOTPCHSA-N 1 2 406.845 3.632 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535867272 1007885391 /nfs/dbraw/zinc/88/53/91/1007885391.db2.gz OBOYFWJHPSXRQU-ZWKOTPCHSA-N 1 2 406.845 3.632 20 5 HHBDLO CC(C)(C)c1ccc(Oc2ccc(C[N@@H+]3CC[C@@H](NC(N)=O)C3)cc2[N+](=O)[O-])cc1 ZINC000539900048 1008172367 /nfs/dbraw/zinc/17/23/67/1008172367.db2.gz MTUZJDOFTZSBQQ-QGZVFWFLSA-N 1 2 412.490 3.927 20 5 HHBDLO CC(C)(C)c1ccc(Oc2ccc(C[N@H+]3CC[C@@H](NC(N)=O)C3)cc2[N+](=O)[O-])cc1 ZINC000539900048 1008172368 /nfs/dbraw/zinc/17/23/68/1008172368.db2.gz MTUZJDOFTZSBQQ-QGZVFWFLSA-N 1 2 412.490 3.927 20 5 HHBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000518355237 1008274068 /nfs/dbraw/zinc/27/40/68/1008274068.db2.gz LROGVLCIKDMJEG-UHFFFAOYSA-N 1 2 413.459 3.543 20 5 HHBDLO COc1cccc(C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]2CCCO2)c1 ZINC000518827126 1008436020 /nfs/dbraw/zinc/43/60/20/1008436020.db2.gz NEFPMYMYWBEBDY-FQEVSTJZSA-N 1 2 424.457 3.835 20 5 HHBDLO COc1cccc(C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]2CCCO2)c1 ZINC000518827126 1008436024 /nfs/dbraw/zinc/43/60/24/1008436024.db2.gz NEFPMYMYWBEBDY-FQEVSTJZSA-N 1 2 424.457 3.835 20 5 HHBDLO O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000518935406 1008479253 /nfs/dbraw/zinc/47/92/53/1008479253.db2.gz FFABFYPJAXYSIG-CYBMUJFWSA-N 1 2 414.412 3.749 20 5 HHBDLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000518935406 1008479256 /nfs/dbraw/zinc/47/92/56/1008479256.db2.gz FFABFYPJAXYSIG-CYBMUJFWSA-N 1 2 414.412 3.749 20 5 HHBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000545932711 1009005000 /nfs/dbraw/zinc/00/50/00/1009005000.db2.gz LOJFSVDZIYHWDY-DIFFPNOSSA-N 1 2 414.384 3.731 20 5 HHBDLO COc1ccc(C[C@H]2CCCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C2)cc1 ZINC000519849004 1009031003 /nfs/dbraw/zinc/03/10/03/1009031003.db2.gz HJNBHXOOEKVXJO-GOSISDBHSA-N 1 2 420.469 3.884 20 5 HHBDLO COc1cccc([C@H]2[C@H](NCc3nc4cc([N+](=O)[O-])ccc4o3)CC[N@@H+]2C2CC2)c1 ZINC000549476702 1009073892 /nfs/dbraw/zinc/07/38/92/1009073892.db2.gz OPMSBDGQDYVPMW-GCJKJVERSA-N 1 2 408.458 3.812 20 5 HHBDLO COc1cccc([C@H]2[C@H](NCc3nc4cc([N+](=O)[O-])ccc4o3)CC[N@H+]2C2CC2)c1 ZINC000549476702 1009073908 /nfs/dbraw/zinc/07/39/08/1009073908.db2.gz OPMSBDGQDYVPMW-GCJKJVERSA-N 1 2 408.458 3.812 20 5 HHBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000549844948 1009459535 /nfs/dbraw/zinc/45/95/35/1009459535.db2.gz DVAAGLHGKCSQQL-QGZVFWFLSA-N 1 2 411.355 3.990 20 5 HHBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000549844948 1009459539 /nfs/dbraw/zinc/45/95/39/1009459539.db2.gz DVAAGLHGKCSQQL-QGZVFWFLSA-N 1 2 411.355 3.990 20 5 HHBDLO O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@H]4C[N@H+](Cc5ccccc5)CCO4)n3)c2c1 ZINC000546490240 1009509623 /nfs/dbraw/zinc/50/96/23/1009509623.db2.gz WUJVBLGRZIDHAF-HXUWFJFHSA-N 1 2 419.441 3.623 20 5 HHBDLO O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@H]4C[N@@H+](Cc5ccccc5)CCO4)n3)c2c1 ZINC000546490240 1009509639 /nfs/dbraw/zinc/50/96/39/1009509639.db2.gz WUJVBLGRZIDHAF-HXUWFJFHSA-N 1 2 419.441 3.623 20 5 HHBDLO COc1cc([N+](=O)[O-])c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1SC ZINC000544024555 1009624940 /nfs/dbraw/zinc/62/49/40/1009624940.db2.gz WQKBCNDGANCWGD-UHFFFAOYSA-N 1 2 418.519 3.854 20 5 HHBDLO Cc1c(Br)c(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)ncc1[N+](=O)[O-] ZINC000544408625 1010027867 /nfs/dbraw/zinc/02/78/67/1010027867.db2.gz PQVBDKBADIWYCZ-UHFFFAOYSA-N 1 2 423.286 3.912 20 5 HHBDLO Cc1c(Br)c(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)ncc1[N+](=O)[O-] ZINC000544408625 1010027873 /nfs/dbraw/zinc/02/78/73/1010027873.db2.gz PQVBDKBADIWYCZ-UHFFFAOYSA-N 1 2 423.286 3.912 20 5 HHBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000544493453 1010117460 /nfs/dbraw/zinc/11/74/60/1010117460.db2.gz VJFPUUAHUINRIO-CVEARBPZSA-N 1 2 415.465 3.751 20 5 HHBDLO CCOC(=O)c1sc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)nc1C ZINC000544511887 1010135229 /nfs/dbraw/zinc/13/52/29/1010135229.db2.gz DTGDNMDNQOMWLC-CHWSQXEVSA-N 1 2 420.491 3.523 20 5 HHBDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 ZINC000544519308 1010147098 /nfs/dbraw/zinc/14/70/98/1010147098.db2.gz MHAZJCDWAWMMRX-LLVKDONJSA-N 1 2 403.489 3.773 20 5 HHBDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)c2ccc(Cl)cc2)C1 ZINC000544623099 1010247376 /nfs/dbraw/zinc/24/73/76/1010247376.db2.gz KFRQYKDXGNICOF-ROUUACIJSA-N 1 2 422.844 3.581 20 5 HHBDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)c2ccc(Cl)cc2)C1 ZINC000544623099 1010247387 /nfs/dbraw/zinc/24/73/87/1010247387.db2.gz KFRQYKDXGNICOF-ROUUACIJSA-N 1 2 422.844 3.581 20 5 HHBDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)c2ccc(Cl)cc2)C1 ZINC000544623100 1010247481 /nfs/dbraw/zinc/24/74/81/1010247481.db2.gz KFRQYKDXGNICOF-ZWKOTPCHSA-N 1 2 422.844 3.581 20 5 HHBDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)c2ccc(Cl)cc2)C1 ZINC000544623100 1010247489 /nfs/dbraw/zinc/24/74/89/1010247489.db2.gz KFRQYKDXGNICOF-ZWKOTPCHSA-N 1 2 422.844 3.581 20 5 HHBDLO COc1cc(C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c([N+](=O)[O-])cc1F ZINC000545206210 1010683839 /nfs/dbraw/zinc/68/38/39/1010683839.db2.gz RHSLVMZFMOIAJF-UHFFFAOYSA-N 1 2 413.449 3.799 20 5 HHBDLO COc1cc(C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c([N+](=O)[O-])cc1F ZINC000545206210 1010683843 /nfs/dbraw/zinc/68/38/43/1010683843.db2.gz RHSLVMZFMOIAJF-UHFFFAOYSA-N 1 2 413.449 3.799 20 5 HHBDLO Cc1ccnc(-c2cccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)c2)n1 ZINC000522315038 1010925545 /nfs/dbraw/zinc/92/55/45/1010925545.db2.gz GGFSQSZRWAVFPB-UHFFFAOYSA-N 1 2 400.398 3.798 20 5 HHBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000522733787 1011184056 /nfs/dbraw/zinc/18/40/56/1011184056.db2.gz OOYYIFZMDQIMQL-CQSZACIVSA-N 1 2 423.847 3.850 20 5 HHBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000522733787 1011184063 /nfs/dbraw/zinc/18/40/63/1011184063.db2.gz OOYYIFZMDQIMQL-CQSZACIVSA-N 1 2 423.847 3.850 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000540621814 1011272503 /nfs/dbraw/zinc/27/25/03/1011272503.db2.gz NXJXOUYVCUBFJK-UHFFFAOYSA-N 1 2 400.479 3.588 20 5 HHBDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540799858 1011461698 /nfs/dbraw/zinc/46/16/98/1011461698.db2.gz CXGBGORNSZSZBK-WMZOPIPTSA-N 1 2 406.845 3.736 20 5 HHBDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540799858 1011461701 /nfs/dbraw/zinc/46/17/01/1011461701.db2.gz CXGBGORNSZSZBK-WMZOPIPTSA-N 1 2 406.845 3.736 20 5 HHBDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540799855 1011461728 /nfs/dbraw/zinc/46/17/28/1011461728.db2.gz CXGBGORNSZSZBK-AEFFLSMTSA-N 1 2 406.845 3.736 20 5 HHBDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540799855 1011461731 /nfs/dbraw/zinc/46/17/31/1011461731.db2.gz CXGBGORNSZSZBK-AEFFLSMTSA-N 1 2 406.845 3.736 20 5 HHBDLO Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000523111909 1011580860 /nfs/dbraw/zinc/58/08/60/1011580860.db2.gz ONDDQMJEXURANX-GOSISDBHSA-N 1 2 423.922 3.672 20 5 HHBDLO COc1ccc(-c2ccc(C[N@H+](C)CC(=O)NCc3cccs3)o2)c([N+](=O)[O-])c1 ZINC000536674686 1011834723 /nfs/dbraw/zinc/83/47/23/1011834723.db2.gz ZKNNKAGNJGLNEX-UHFFFAOYSA-N 1 2 415.471 3.673 20 5 HHBDLO COc1ccc(-c2ccc(C[N@@H+](C)CC(=O)NCc3cccs3)o2)c([N+](=O)[O-])c1 ZINC000536674686 1011834734 /nfs/dbraw/zinc/83/47/34/1011834734.db2.gz ZKNNKAGNJGLNEX-UHFFFAOYSA-N 1 2 415.471 3.673 20 5 HHBDLO C[C@H](c1cccc(NC(=O)CSc2ccccc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000541284188 1011978938 /nfs/dbraw/zinc/97/89/38/1011978938.db2.gz SPZBVAGAMREDMD-OAHLLOKOSA-N 1 2 401.488 3.719 20 5 HHBDLO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000552043252 1012062798 /nfs/dbraw/zinc/06/27/98/1012062798.db2.gz DXJUBOPVYFFVBN-XLIONFOSSA-N 1 2 411.893 3.940 20 5 HHBDLO C[N@@H+]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C[C@H]1Cc1ccccc1 ZINC000552459131 1012484411 /nfs/dbraw/zinc/48/44/11/1012484411.db2.gz ATYFXENODAUTIV-LJQANCHMSA-N 1 2 411.505 3.680 20 5 HHBDLO C[N@H+]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C[C@H]1Cc1ccccc1 ZINC000552459131 1012484423 /nfs/dbraw/zinc/48/44/23/1012484423.db2.gz ATYFXENODAUTIV-LJQANCHMSA-N 1 2 411.505 3.680 20 5 HHBDLO C[C@@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000537161384 1012561221 /nfs/dbraw/zinc/56/12/21/1012561221.db2.gz IQXUUKPNLLNEDN-PVLCWKDFSA-N 1 2 400.460 3.794 20 5 HHBDLO Cc1ccc([C@@H](C)[NH2+]Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1[N+](=O)[O-] ZINC000537176266 1012583443 /nfs/dbraw/zinc/58/34/43/1012583443.db2.gz YRNOIMMSNUAGBR-CQSZACIVSA-N 1 2 415.471 3.813 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)o2)cc1 ZINC000542015527 1012903568 /nfs/dbraw/zinc/90/35/68/1012903568.db2.gz LSKYCRHRKVJMDO-CQSZACIVSA-N 1 2 422.367 3.697 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)o2)cc1 ZINC000542015527 1012903579 /nfs/dbraw/zinc/90/35/79/1012903579.db2.gz LSKYCRHRKVJMDO-CQSZACIVSA-N 1 2 422.367 3.697 20 5 HHBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+](C)Cc1cccc(O)c1 ZINC000533309935 1071847852 /nfs/dbraw/zinc/84/78/52/1071847852.db2.gz IGORRKPTCPHXCD-ZDUSSCGKSA-N 1 2 412.471 3.883 20 5 HHBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+](C)Cc1cccc(O)c1 ZINC000533309935 1071847857 /nfs/dbraw/zinc/84/78/57/1071847857.db2.gz IGORRKPTCPHXCD-ZDUSSCGKSA-N 1 2 412.471 3.883 20 5 HHBDLO CC(C)(C)OC(=O)NC(C)(C)c1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000904763680 1071888340 /nfs/dbraw/zinc/88/83/40/1071888340.db2.gz IEHBIYBCSCFOBE-UHFFFAOYSA-N 1 2 414.422 3.590 20 5 HHBDLO CO[C@]1(C(F)(F)F)CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000614924936 1071988959 /nfs/dbraw/zinc/98/89/59/1071988959.db2.gz PNBCGBVHRAPXGQ-BDJLRTHQSA-N 1 2 400.357 3.749 20 5 HHBDLO CO[C@]1(C(F)(F)F)CCC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000614924936 1071988965 /nfs/dbraw/zinc/98/89/65/1071988965.db2.gz PNBCGBVHRAPXGQ-BDJLRTHQSA-N 1 2 400.357 3.749 20 5 HHBDLO O=C(C[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000588208884 1072943269 /nfs/dbraw/zinc/94/32/69/1072943269.db2.gz GUFDPEOLUSNJSD-DZGCQCFKSA-N 1 2 421.906 3.687 20 5 HHBDLO O=C(C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000588208884 1072943279 /nfs/dbraw/zinc/94/32/79/1072943279.db2.gz GUFDPEOLUSNJSD-DZGCQCFKSA-N 1 2 421.906 3.687 20 5 HHBDLO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000590601266 1073934849 /nfs/dbraw/zinc/93/48/49/1073934849.db2.gz QGBVUNINYPGMQN-CQSZACIVSA-N 1 2 403.866 3.825 20 5 HHBDLO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000590601266 1073934855 /nfs/dbraw/zinc/93/48/55/1073934855.db2.gz QGBVUNINYPGMQN-CQSZACIVSA-N 1 2 403.866 3.825 20 5 HHBDLO C[C@H]1CCCN(c2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2[N+](=O)[O-])C1 ZINC000601540339 1075629810 /nfs/dbraw/zinc/62/98/10/1075629810.db2.gz CXWQGQKXMRKBMI-IBGZPJMESA-N 1 2 422.529 3.789 20 5 HHBDLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cccc([N+](=O)[O-])n1)CC2 ZINC001164664057 719347884 /nfs/dbraw/zinc/34/78/84/719347884.db2.gz PILBOCWQQSRRDN-UHFFFAOYSA-N 1 2 418.501 3.685 20 5 HHBDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cccc([N+](=O)[O-])n1)CC2 ZINC001164664057 719347889 /nfs/dbraw/zinc/34/78/89/719347889.db2.gz PILBOCWQQSRRDN-UHFFFAOYSA-N 1 2 418.501 3.685 20 5 HHBDLO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1Br)c1c(F)cccc1F ZINC000301489993 970954083 /nfs/dbraw/zinc/95/40/83/970954083.db2.gz AHXMDPTYWSHQCD-CYBMUJFWSA-N 1 2 401.211 3.745 20 5 HHBDLO C[N@@H+]1CCC[C@@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301917827 971115269 /nfs/dbraw/zinc/11/52/69/971115269.db2.gz AYGHGVQXOFELDC-NHYWBVRUSA-N 1 2 415.562 3.616 20 5 HHBDLO C[N@H+]1CCC[C@@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301917827 971115273 /nfs/dbraw/zinc/11/52/73/971115273.db2.gz AYGHGVQXOFELDC-NHYWBVRUSA-N 1 2 415.562 3.616 20 5 HHBDLO NC(=O)C1CC[NH+](c2ccc(Nc3ccc([N+](=O)[O-])c(OC(F)F)c3)cc2)CC1 ZINC000301922215 971117210 /nfs/dbraw/zinc/11/72/10/971117210.db2.gz GEFYGHINERYVSR-UHFFFAOYSA-N 1 2 406.389 3.642 20 5 HHBDLO Cc1nc(N2CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000302150408 971188585 /nfs/dbraw/zinc/18/85/85/971188585.db2.gz JYSOIRORRLIIOT-UHFFFAOYSA-N 1 2 401.776 3.692 20 5 HHBDLO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303475400 971776198 /nfs/dbraw/zinc/77/61/98/971776198.db2.gz JMASTDJEOYKUBR-INIZCTEOSA-N 1 2 421.856 3.547 20 5 HHBDLO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303475400 971776200 /nfs/dbraw/zinc/77/62/00/971776200.db2.gz JMASTDJEOYKUBR-INIZCTEOSA-N 1 2 421.856 3.547 20 5 HHBDLO COc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)ccc1[N+](=O)[O-] ZINC000303476234 971776869 /nfs/dbraw/zinc/77/68/69/971776869.db2.gz JNRGNTIVMVRMBG-MRXNPFEDSA-N 1 2 421.856 3.790 20 5 HHBDLO COc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)ccc1[N+](=O)[O-] ZINC000303476234 971776874 /nfs/dbraw/zinc/77/68/74/971776874.db2.gz JNRGNTIVMVRMBG-MRXNPFEDSA-N 1 2 421.856 3.790 20 5 HHBDLO C[S@](=O)Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1Cl ZINC000303673386 971952217 /nfs/dbraw/zinc/95/22/17/971952217.db2.gz ZFVYGJSPKQUABP-NDEPHWFRSA-N 1 2 418.862 3.565 20 5 HHBDLO Cc1cccc(NC2CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CC2)c1 ZINC000303934894 972514365 /nfs/dbraw/zinc/51/43/65/972514365.db2.gz WFRKLRKMFGIWGH-UHFFFAOYSA-N 1 2 405.458 3.806 20 5 HHBDLO CC[NH+](CC)[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)c1ccccc1Cl ZINC000553252020 1013218581 /nfs/dbraw/zinc/21/85/81/1013218581.db2.gz VJSHCJPHEFJYHO-SFHVURJKSA-N 1 2 415.881 4.392 20 5 HHBDLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000015312544 962718677 /nfs/dbraw/zinc/71/86/77/962718677.db2.gz YMKQGSUBANXYOM-LJQANCHMSA-N 1 2 400.431 3.816 20 5 HHBDLO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000015312544 962718679 /nfs/dbraw/zinc/71/86/79/962718679.db2.gz YMKQGSUBANXYOM-LJQANCHMSA-N 1 2 400.431 3.816 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000016237680 962988148 /nfs/dbraw/zinc/98/81/48/962988148.db2.gz CASACGZDCVWNSK-UHFFFAOYSA-N 1 2 424.482 3.871 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000016237680 962988161 /nfs/dbraw/zinc/98/81/61/962988161.db2.gz CASACGZDCVWNSK-UHFFFAOYSA-N 1 2 424.482 3.871 20 5 HHBDLO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000017307836 963183363 /nfs/dbraw/zinc/18/33/63/963183363.db2.gz XOPNTBFTTNZKSP-CQSZACIVSA-N 1 2 409.895 3.929 20 5 HHBDLO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000017307836 963183371 /nfs/dbraw/zinc/18/33/71/963183371.db2.gz XOPNTBFTTNZKSP-CQSZACIVSA-N 1 2 409.895 3.929 20 5 HHBDLO COC(=O)c1cc(C)nc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000553509677 1013409389 /nfs/dbraw/zinc/40/93/89/1013409389.db2.gz FIAQSMZYTTWBOY-CVEARBPZSA-N 1 2 422.844 3.735 20 5 HHBDLO COC(=O)c1cc(C)nc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000553509677 1013409393 /nfs/dbraw/zinc/40/93/93/1013409393.db2.gz FIAQSMZYTTWBOY-CVEARBPZSA-N 1 2 422.844 3.735 20 5 HHBDLO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000020668913 963393164 /nfs/dbraw/zinc/39/31/64/963393164.db2.gz GWAGDLPFVASIKD-UHFFFAOYSA-N 1 2 400.788 3.984 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000021920567 963562045 /nfs/dbraw/zinc/56/20/45/963562045.db2.gz QLWQOQYOSAKMOY-UHFFFAOYSA-N 1 2 422.279 3.827 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000021920567 963562051 /nfs/dbraw/zinc/56/20/51/963562051.db2.gz QLWQOQYOSAKMOY-UHFFFAOYSA-N 1 2 422.279 3.827 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000050231491 964291281 /nfs/dbraw/zinc/29/12/81/964291281.db2.gz INFGMRPKRVLICR-IBGZPJMESA-N 1 2 401.438 3.662 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000050231491 964291292 /nfs/dbraw/zinc/29/12/92/964291292.db2.gz INFGMRPKRVLICR-IBGZPJMESA-N 1 2 401.438 3.662 20 5 HHBDLO C[N@@H+]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](c2ccccc2)C1 ZINC000050293662 964303486 /nfs/dbraw/zinc/30/34/86/964303486.db2.gz JIAKEQCTGLMOCW-LJQANCHMSA-N 1 2 408.483 3.847 20 5 HHBDLO C[N@H+]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](c2ccccc2)C1 ZINC000050293662 964303497 /nfs/dbraw/zinc/30/34/97/964303497.db2.gz JIAKEQCTGLMOCW-LJQANCHMSA-N 1 2 408.483 3.847 20 5 HHBDLO O=C(C[NH+]1CCC([C@@H](O)c2ccccc2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000026116438 964452972 /nfs/dbraw/zinc/45/29/72/964452972.db2.gz LGXKXTACLGSFHK-FQEVSTJZSA-N 1 2 403.866 3.632 20 5 HHBDLO O=C(C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000027569341 964919684 /nfs/dbraw/zinc/91/96/84/964919684.db2.gz UKYJUELKKZNJIR-CQSZACIVSA-N 1 2 416.865 3.537 20 5 HHBDLO O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000027569341 964919691 /nfs/dbraw/zinc/91/96/91/964919691.db2.gz UKYJUELKKZNJIR-CQSZACIVSA-N 1 2 416.865 3.537 20 5 HHBDLO CC(C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccccn1 ZINC000052832538 964996355 /nfs/dbraw/zinc/99/63/55/964996355.db2.gz MPTBBGCUIUSGNI-UHFFFAOYSA-N 1 2 407.268 3.601 20 5 HHBDLO CC(C)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccccn1 ZINC000052832538 964996359 /nfs/dbraw/zinc/99/63/59/964996359.db2.gz MPTBBGCUIUSGNI-UHFFFAOYSA-N 1 2 407.268 3.601 20 5 HHBDLO COc1cc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1OC(F)F ZINC000053779776 965269932 /nfs/dbraw/zinc/26/99/32/965269932.db2.gz HRLGGCBZBQFLGU-UHFFFAOYSA-N 1 2 410.373 3.608 20 5 HHBDLO COc1cc(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1OC(F)F ZINC000053779776 965269939 /nfs/dbraw/zinc/26/99/39/965269939.db2.gz HRLGGCBZBQFLGU-UHFFFAOYSA-N 1 2 410.373 3.608 20 5 HHBDLO CCOc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000054277527 965456422 /nfs/dbraw/zinc/45/64/22/965456422.db2.gz LTNXHEQTTLLTGV-ZDUSSCGKSA-N 1 2 404.492 3.934 20 5 HHBDLO CCOc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000054277527 965456427 /nfs/dbraw/zinc/45/64/27/965456427.db2.gz LTNXHEQTTLLTGV-ZDUSSCGKSA-N 1 2 404.492 3.934 20 5 HHBDLO C[C@H]1CCCN(c2ccc(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)cc2[N+](=O)[O-])C1 ZINC000030012145 965595647 /nfs/dbraw/zinc/59/56/47/965595647.db2.gz JRBASCWOFNPHLC-KRWDZBQOSA-N 1 2 423.517 3.756 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538026005 1013597301 /nfs/dbraw/zinc/59/73/01/1013597301.db2.gz RVVCJMKIWZECGL-QUCCMNQESA-N 1 2 421.856 3.718 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538026005 1013597308 /nfs/dbraw/zinc/59/73/08/1013597308.db2.gz RVVCJMKIWZECGL-QUCCMNQESA-N 1 2 421.856 3.718 20 5 HHBDLO CCC(CC)[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[NH+]1CCOCC1 ZINC000030941613 965839298 /nfs/dbraw/zinc/83/92/98/965839298.db2.gz ZLRHTALPOSJNKC-KRWDZBQOSA-N 1 2 405.520 3.676 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000542703595 1013618330 /nfs/dbraw/zinc/61/83/30/1013618330.db2.gz RNXAUEALSIBVAM-KRWDZBQOSA-N 1 2 407.474 3.832 20 5 HHBDLO O=C(Nc1cccc(OCC(F)(F)F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032245028 966204819 /nfs/dbraw/zinc/20/48/19/966204819.db2.gz AKSFTHVVIFNLAM-UHFFFAOYSA-N 1 2 406.320 3.974 20 5 HHBDLO O=C(Nc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1)c1ccco1 ZINC000033242225 966403541 /nfs/dbraw/zinc/40/35/41/966403541.db2.gz BLYQAEGUYCJNCV-UHFFFAOYSA-N 1 2 417.381 3.878 20 5 HHBDLO CC(C)CCSc1ccc(C(=O)NCC(C)(C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000036622322 966433019 /nfs/dbraw/zinc/43/30/19/966433019.db2.gz RVUJDPDRMAGHLK-UHFFFAOYSA-N 1 2 409.552 3.574 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000063512435 966880062 /nfs/dbraw/zinc/88/00/62/966880062.db2.gz KRLIDYLBVFESDB-JOCHJYFZSA-N 1 2 418.453 3.811 20 5 HHBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000044617746 967255930 /nfs/dbraw/zinc/25/59/30/967255930.db2.gz HJUVRRUJXXLVBK-GFCCVEGCSA-N 1 2 402.357 3.873 20 5 HHBDLO COC(=O)c1cc2cc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)ccc2o1 ZINC000044658388 967270843 /nfs/dbraw/zinc/27/08/43/967270843.db2.gz DMEAMBBEQADAGS-UHFFFAOYSA-N 1 2 406.354 3.566 20 5 HHBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c1 ZINC000065085151 967370510 /nfs/dbraw/zinc/37/05/10/967370510.db2.gz WTTOCMJLAJABEQ-UHFFFAOYSA-N 1 2 422.510 3.985 20 5 HHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000542882784 1013731437 /nfs/dbraw/zinc/73/14/37/1013731437.db2.gz HLEWQRRDHPGCIM-GDBMZVCRSA-N 1 2 417.510 3.834 20 5 HHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000542882784 1013731444 /nfs/dbraw/zinc/73/14/44/1013731444.db2.gz HLEWQRRDHPGCIM-GDBMZVCRSA-N 1 2 417.510 3.834 20 5 HHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)cc1OC ZINC000542882784 1013731452 /nfs/dbraw/zinc/73/14/52/1013731452.db2.gz HLEWQRRDHPGCIM-GDBMZVCRSA-N 1 2 417.510 3.834 20 5 HHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)cc1OC ZINC000542882784 1013731457 /nfs/dbraw/zinc/73/14/57/1013731457.db2.gz HLEWQRRDHPGCIM-GDBMZVCRSA-N 1 2 417.510 3.834 20 5 HHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)cc1OC ZINC000542882784 1013731463 /nfs/dbraw/zinc/73/14/63/1013731463.db2.gz HLEWQRRDHPGCIM-GDBMZVCRSA-N 1 2 417.510 3.834 20 5 HHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)cc1OC ZINC000542882784 1013731466 /nfs/dbraw/zinc/73/14/66/1013731466.db2.gz HLEWQRRDHPGCIM-GDBMZVCRSA-N 1 2 417.510 3.834 20 5 HHBDLO CCOc1ccc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000046344145 967755040 /nfs/dbraw/zinc/75/50/40/967755040.db2.gz DZGPYOPYNGMSOE-IYBDPMFKSA-N 1 2 413.474 3.855 20 5 HHBDLO CCOc1ccc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000046344145 967755044 /nfs/dbraw/zinc/75/50/44/967755044.db2.gz DZGPYOPYNGMSOE-IYBDPMFKSA-N 1 2 413.474 3.855 20 5 HHBDLO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)nc2c1 ZINC000538278895 1013816853 /nfs/dbraw/zinc/81/68/53/1013816853.db2.gz DUNONXLOOXDZII-ZDUSSCGKSA-N 1 2 403.460 3.689 20 5 HHBDLO O=[N+]([O-])c1cc(Br)cnc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000096573041 969046759 /nfs/dbraw/zinc/04/67/59/969046759.db2.gz QPBFGVFQMVFPDO-QPJJXVBHSA-N 1 2 403.280 3.588 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](Cc3cccs3)C[C@H]3CCCO3)o2)cc1 ZINC000096954416 969062308 /nfs/dbraw/zinc/06/23/08/969062308.db2.gz SEVRXQBLJNQLEE-MRXNPFEDSA-N 1 2 400.460 3.888 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](Cc3cccs3)C[C@H]3CCCO3)o2)cc1 ZINC000096954416 969062321 /nfs/dbraw/zinc/06/23/21/969062321.db2.gz SEVRXQBLJNQLEE-MRXNPFEDSA-N 1 2 400.460 3.888 20 5 HHBDLO O=[N+]([O-])c1ccc2nc(NCc3cccc(OCC[NH+]4CCOCC4)c3)sc2c1 ZINC000111190011 969797090 /nfs/dbraw/zinc/79/70/90/969797090.db2.gz PPSMTKAACDUTCO-UHFFFAOYSA-N 1 2 414.487 3.528 20 5 HHBDLO CC1CCN(c2ccc(C(=O)NC3CCN(c4cccc[nH+]4)CC3)cc2[N+](=O)[O-])CC1 ZINC000117092165 969937092 /nfs/dbraw/zinc/93/70/92/969937092.db2.gz QGWWNIFZYHPJBC-UHFFFAOYSA-N 1 2 423.517 3.625 20 5 HHBDLO COc1cc(C[NH2+]Cc2cn3cccc(C)c3n2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237293515 970257251 /nfs/dbraw/zinc/25/72/51/970257251.db2.gz JXVDXTLDPQVGPE-UHFFFAOYSA-N 1 2 424.379 3.790 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000165110416 970454131 /nfs/dbraw/zinc/45/41/31/970454131.db2.gz NQEKVJYZQGWIEW-JOCHJYFZSA-N 1 2 418.453 3.811 20 5 HHBDLO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000247310669 970470170 /nfs/dbraw/zinc/47/01/70/970470170.db2.gz ILLIYGBAMKSPRA-UHFFFAOYSA-N 1 2 410.861 3.754 20 5 HHBDLO COc1ccc([C@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)[NH+]2CCOCC2)cc1 ZINC000301085217 970740894 /nfs/dbraw/zinc/74/08/94/970740894.db2.gz KFKWOKJYRSLDJX-NRFANRHFSA-N 1 2 408.458 3.637 20 5 HHBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000554741698 1014035700 /nfs/dbraw/zinc/03/57/00/1014035700.db2.gz MTTPBOASFRRGEM-UHFFFAOYSA-N 1 2 410.405 3.572 20 5 HHBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000554741698 1014035705 /nfs/dbraw/zinc/03/57/05/1014035705.db2.gz MTTPBOASFRRGEM-UHFFFAOYSA-N 1 2 410.405 3.572 20 5 HHBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cn(-c4cccc(Cl)c4Cl)nn3)CC2)n1 ZINC000425976749 974084356 /nfs/dbraw/zinc/08/43/56/974084356.db2.gz SECQYIJVGJLAIZ-UHFFFAOYSA-N 1 2 422.276 3.516 20 5 HHBDLO O=C(c1cc(NCc2ccc(Cn3cc[nH+]c3)cc2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000433800742 979583803 /nfs/dbraw/zinc/58/38/03/979583803.db2.gz WPICMUAKWBEWHJ-UHFFFAOYSA-N 1 2 405.458 3.688 20 5 HHBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(OCC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000434897382 980478186 /nfs/dbraw/zinc/47/81/86/980478186.db2.gz VVPXZSWGHTVJRI-UHFFFAOYSA-N 1 2 405.495 3.603 20 5 HHBDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436141374 981217150 /nfs/dbraw/zinc/21/71/50/981217150.db2.gz WFQNHFCPFBSKLU-UHFFFAOYSA-N 1 2 413.477 3.766 20 5 HHBDLO Cc1nn(CCC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c(C)c1[N+](=O)[O-] ZINC000436177739 981236731 /nfs/dbraw/zinc/23/67/31/981236731.db2.gz GGGJDFPNPZXYFO-UHFFFAOYSA-N 1 2 408.462 3.637 20 5 HHBDLO Cc1cc(N2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000436274887 981280467 /nfs/dbraw/zinc/28/04/67/981280467.db2.gz ZTJIBVIMUJOEKH-UHFFFAOYSA-N 1 2 410.400 3.557 20 5 HHBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437169356 981822882 /nfs/dbraw/zinc/82/28/82/981822882.db2.gz ZKZNRRBTYOQELV-UHFFFAOYSA-N 1 2 404.348 3.788 20 5 HHBDLO Cn1cc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000461414367 983079246 /nfs/dbraw/zinc/07/92/46/983079246.db2.gz SMCJWBIMUMQBFH-UHFFFAOYSA-N 1 2 400.442 3.742 20 5 HHBDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000439777738 983534426 /nfs/dbraw/zinc/53/44/26/983534426.db2.gz ABGBMOVILMXHSI-BTYIYWSLSA-N 1 2 414.481 3.810 20 5 HHBDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000439777738 983534429 /nfs/dbraw/zinc/53/44/29/983534429.db2.gz ABGBMOVILMXHSI-BTYIYWSLSA-N 1 2 414.481 3.810 20 5 HHBDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000439777739 983534546 /nfs/dbraw/zinc/53/45/46/983534546.db2.gz ABGBMOVILMXHSI-QVKFZJNVSA-N 1 2 414.481 3.810 20 5 HHBDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000439777739 983534548 /nfs/dbraw/zinc/53/45/48/983534548.db2.gz ABGBMOVILMXHSI-QVKFZJNVSA-N 1 2 414.481 3.810 20 5 HHBDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000439800043 983543770 /nfs/dbraw/zinc/54/37/70/983543770.db2.gz HWMLHRPKSRRFOQ-YCRPNKLZSA-N 1 2 414.481 3.810 20 5 HHBDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000439800043 983543772 /nfs/dbraw/zinc/54/37/72/983543772.db2.gz HWMLHRPKSRRFOQ-YCRPNKLZSA-N 1 2 414.481 3.810 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000439915572 983581983 /nfs/dbraw/zinc/58/19/83/983581983.db2.gz OPQCXOWEJPKOSE-AWEZNQCLSA-N 1 2 404.492 3.966 20 5 HHBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3csc(CCc4ccccc4)n3)C2)nc1 ZINC000440358706 983731784 /nfs/dbraw/zinc/73/17/84/983731784.db2.gz NUCHHVFDSZOWKV-QGZVFWFLSA-N 1 2 409.515 3.918 20 5 HHBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3csc(CCc4ccccc4)n3)C2)nc1 ZINC000440358706 983731786 /nfs/dbraw/zinc/73/17/86/983731786.db2.gz NUCHHVFDSZOWKV-QGZVFWFLSA-N 1 2 409.515 3.918 20 5 HHBDLO O=[N+]([O-])c1ccc(NCc2cccc(OCC[NH+]3CCOCC3)c2)cc1OC(F)F ZINC000462388264 985369685 /nfs/dbraw/zinc/36/96/85/985369685.db2.gz KNQAEMBYSMFZGI-UHFFFAOYSA-N 1 2 423.416 3.519 20 5 HHBDLO Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000462574808 985521950 /nfs/dbraw/zinc/52/19/50/985521950.db2.gz QYSHAFSHVNXQNN-ZDUSSCGKSA-N 1 2 420.878 3.782 20 5 HHBDLO CS(=O)(=O)C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1 ZINC000463051816 986010067 /nfs/dbraw/zinc/01/00/67/986010067.db2.gz CREUDHNSAMBBFI-SFHVURJKSA-N 1 2 400.456 3.730 20 5 HHBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1C ZINC000444037149 986234396 /nfs/dbraw/zinc/23/43/96/986234396.db2.gz ZWDJMDIURRAYSY-UHFFFAOYSA-N 1 2 421.544 3.561 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000444162833 986340254 /nfs/dbraw/zinc/34/02/54/986340254.db2.gz BGTDNPJIKTZGAT-MRXNPFEDSA-N 1 2 416.909 3.874 20 5 HHBDLO O=C(C[N@@H+]1CC[C@@H](COCc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000444169386 986344823 /nfs/dbraw/zinc/34/48/23/986344823.db2.gz RIIWUYPLBAQJTJ-MRXNPFEDSA-N 1 2 403.866 3.725 20 5 HHBDLO O=C(C[N@H+]1CC[C@@H](COCc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000444169386 986344829 /nfs/dbraw/zinc/34/48/29/986344829.db2.gz RIIWUYPLBAQJTJ-MRXNPFEDSA-N 1 2 403.866 3.725 20 5 HHBDLO C[C@@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C[C@@H]1n1cc[nH+]c1 ZINC000444222569 986408971 /nfs/dbraw/zinc/40/89/71/986408971.db2.gz GPYWLGZEZWWVKS-YJYMSZOUSA-N 1 2 422.435 3.879 20 5 HHBDLO COc1cc(C[NH+]2CCC(Oc3c(OC)cccc3OC)CC2)c([N+](=O)[O-])cc1F ZINC000463494067 986470158 /nfs/dbraw/zinc/47/01/58/986470158.db2.gz ZVOMWKJUDKTGNC-UHFFFAOYSA-N 1 2 420.437 3.803 20 5 HHBDLO C[C@H](C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000469040786 986750151 /nfs/dbraw/zinc/75/01/51/986750151.db2.gz OHISGJGHVHVPJO-AWEZNQCLSA-N 1 2 400.454 3.776 20 5 HHBDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)c2c1 ZINC000444604900 986792138 /nfs/dbraw/zinc/79/21/38/986792138.db2.gz CAZQDBDWCALADJ-UHFFFAOYSA-N 1 2 407.426 3.710 20 5 HHBDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)c2c1 ZINC000444604900 986792145 /nfs/dbraw/zinc/79/21/45/986792145.db2.gz CAZQDBDWCALADJ-UHFFFAOYSA-N 1 2 407.426 3.710 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000444735021 986905795 /nfs/dbraw/zinc/90/57/95/986905795.db2.gz SRTMHOVRIKCXRJ-UHFFFAOYSA-N 1 2 407.430 3.689 20 5 HHBDLO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc2[N+](=O)[O-])C1 ZINC000469386951 987086415 /nfs/dbraw/zinc/08/64/15/987086415.db2.gz VCOPDIHZNGQXML-CBGDNZLLSA-N 1 2 411.506 3.751 20 5 HHBDLO O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000464292373 988415384 /nfs/dbraw/zinc/41/53/84/988415384.db2.gz DMKGMVMGIFEBLS-ZDUSSCGKSA-N 1 2 419.224 3.951 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000464727442 988946607 /nfs/dbraw/zinc/94/66/07/988946607.db2.gz BCSKCSKKYXHQKF-UHFFFAOYSA-N 1 2 407.474 3.609 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000464727442 988946629 /nfs/dbraw/zinc/94/66/29/988946629.db2.gz BCSKCSKKYXHQKF-UHFFFAOYSA-N 1 2 407.474 3.609 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000470922912 988996459 /nfs/dbraw/zinc/99/64/59/988996459.db2.gz YSGSFQXVHCNLDP-SFHVURJKSA-N 1 2 401.438 3.662 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000470922912 988996469 /nfs/dbraw/zinc/99/64/69/988996469.db2.gz YSGSFQXVHCNLDP-SFHVURJKSA-N 1 2 401.438 3.662 20 5 HHBDLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464778873 989005037 /nfs/dbraw/zinc/00/50/37/989005037.db2.gz SOVNAODEPBHANV-OAHLLOKOSA-N 1 2 401.438 3.913 20 5 HHBDLO COc1ccc(-c2nnc(C[NH+]3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)o2)cc1 ZINC000464782573 989010897 /nfs/dbraw/zinc/01/08/97/989010897.db2.gz YEIFPKISUKVOPU-UHFFFAOYSA-N 1 2 410.430 3.697 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1ccc(C)cc1)c1ccccn1 ZINC000471081559 989176645 /nfs/dbraw/zinc/17/66/45/989176645.db2.gz QAZLJCTVGGZQRB-JOCHJYFZSA-N 1 2 406.442 3.625 20 5 HHBDLO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]Cc2nnnn2CC2CC2)cc1 ZINC000472036105 990207277 /nfs/dbraw/zinc/20/72/77/990207277.db2.gz BVEHAEDFOXPURB-UHFFFAOYSA-N 1 2 414.853 3.727 20 5 HHBDLO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ncnn1C ZINC000474008949 994998312 /nfs/dbraw/zinc/99/83/12/994998312.db2.gz LXJYVDVQKNMPMP-JTQLQIEISA-N 1 2 406.240 3.597 20 5 HHBDLO Cc1cccc(CC2(O)CC[NH+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000482922578 995852424 /nfs/dbraw/zinc/85/24/24/995852424.db2.gz OVTDDMXGCUWETC-UHFFFAOYSA-N 1 2 417.893 3.565 20 5 HHBDLO CCN1CC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1c1ncc[nH]1 ZINC000475348319 996082546 /nfs/dbraw/zinc/08/25/46/996082546.db2.gz LFDKYRXWACOMBE-JOCHJYFZSA-N 1 2 420.517 3.965 20 5 HHBDLO CCN1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1c1ncc[nH]1 ZINC000475348319 996082549 /nfs/dbraw/zinc/08/25/49/996082549.db2.gz LFDKYRXWACOMBE-JOCHJYFZSA-N 1 2 420.517 3.965 20 5 HHBDLO CCOc1cc(N2CC[NH+](Cc3cnc(C)n3-c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000475512952 996193051 /nfs/dbraw/zinc/19/30/51/996193051.db2.gz ISNRNQSVDBKJQF-UHFFFAOYSA-N 1 2 421.501 3.810 20 5 HHBDLO CCOc1cc(N2CCN(Cc3c[nH+]c(C)n3-c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000475512952 996193058 /nfs/dbraw/zinc/19/30/58/996193058.db2.gz ISNRNQSVDBKJQF-UHFFFAOYSA-N 1 2 421.501 3.810 20 5 HHBDLO CCc1ccc([C@@H]2C[N@H+](CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)CCO2)cc1 ZINC000484352399 996722664 /nfs/dbraw/zinc/72/26/64/996722664.db2.gz PZOPCRVMUYLUDW-NRFANRHFSA-N 1 2 411.458 3.529 20 5 HHBDLO CCc1ccc([C@@H]2C[N@@H+](CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)CCO2)cc1 ZINC000484352399 996722669 /nfs/dbraw/zinc/72/26/69/996722669.db2.gz PZOPCRVMUYLUDW-NRFANRHFSA-N 1 2 411.458 3.529 20 5 HHBDLO COc1cc([N+](=O)[O-])c(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1SC ZINC000484792101 997142812 /nfs/dbraw/zinc/14/28/12/997142812.db2.gz NVVVVVWJJSZMIH-UHFFFAOYSA-N 1 2 412.471 3.500 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000485253229 997642257 /nfs/dbraw/zinc/64/22/57/997642257.db2.gz DHDDOOZRWMISCU-UHFFFAOYSA-N 1 2 404.430 3.792 20 5 HHBDLO COC(C)(C)CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000485758895 998232055 /nfs/dbraw/zinc/23/20/55/998232055.db2.gz RJMYLHZBTSNNMO-UHFFFAOYSA-N 1 2 417.531 3.783 20 5 HHBDLO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000486362167 998729258 /nfs/dbraw/zinc/72/92/58/998729258.db2.gz VKGWUKDUMJZBIE-UHFFFAOYSA-N 1 2 417.897 3.675 20 5 HHBDLO C[C@@H]1C[N@@H+]([C@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c2cccs2)CCO1 ZINC000486921809 999007687 /nfs/dbraw/zinc/00/76/87/999007687.db2.gz DHKVMTUANBPIFD-CZUORRHYSA-N 1 2 415.475 3.580 20 5 HHBDLO C[C@@H]1C[N@H+]([C@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c2cccs2)CCO1 ZINC000486921809 999007690 /nfs/dbraw/zinc/00/76/90/999007690.db2.gz DHKVMTUANBPIFD-CZUORRHYSA-N 1 2 415.475 3.580 20 5 HHBDLO C[C@H](CF)[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000487876062 999301718 /nfs/dbraw/zinc/30/17/18/999301718.db2.gz IDQQPFUGNMWANE-BZNIZROVSA-N 1 2 410.243 3.985 20 5 HHBDLO CC1(C)C[C@H]([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c2cc([N+](=O)[O-])ccc21 ZINC000479482417 999437169 /nfs/dbraw/zinc/43/71/69/999437169.db2.gz STMNRCSHCOIOLD-DLBZAZTESA-N 1 2 418.291 3.896 20 5 HHBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000479890859 999638139 /nfs/dbraw/zinc/63/81/39/999638139.db2.gz ZVILAAQQONEKNV-UHFFFAOYSA-N 1 2 412.490 3.686 20 5 HHBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000480068481 999707873 /nfs/dbraw/zinc/70/78/73/999707873.db2.gz DBVBVKSHMDKIDC-UHFFFAOYSA-N 1 2 411.506 3.746 20 5 HHBDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000489326514 999746128 /nfs/dbraw/zinc/74/61/28/999746128.db2.gz KZWZAQMHRJOIAT-CQSZACIVSA-N 1 2 411.487 3.962 20 5 HHBDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000489326514 999746129 /nfs/dbraw/zinc/74/61/29/999746129.db2.gz KZWZAQMHRJOIAT-CQSZACIVSA-N 1 2 411.487 3.962 20 5 HHBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000490038827 999882656 /nfs/dbraw/zinc/88/26/56/999882656.db2.gz ATSNCCJDMDOHPM-UHFFFAOYSA-N 1 2 404.470 3.625 20 5 HHBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000490038827 999882658 /nfs/dbraw/zinc/88/26/58/999882658.db2.gz ATSNCCJDMDOHPM-UHFFFAOYSA-N 1 2 404.470 3.625 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](COC)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000490098091 999892829 /nfs/dbraw/zinc/89/28/29/999892829.db2.gz WZYNYUJUEFDKGT-IBGZPJMESA-N 1 2 421.881 3.905 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H](COC)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000490098091 999892830 /nfs/dbraw/zinc/89/28/30/999892830.db2.gz WZYNYUJUEFDKGT-IBGZPJMESA-N 1 2 421.881 3.905 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000490230271 999916451 /nfs/dbraw/zinc/91/64/51/999916451.db2.gz NEUFJTXWPCLCBF-RTBURBONSA-N 1 2 418.444 3.853 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000490230271 999916453 /nfs/dbraw/zinc/91/64/53/999916453.db2.gz NEUFJTXWPCLCBF-RTBURBONSA-N 1 2 418.444 3.853 20 5 HHBDLO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000491089625 1000044217 /nfs/dbraw/zinc/04/42/17/1000044217.db2.gz UPYRQUSSYOQNKW-APWZRJJASA-N 1 2 421.563 3.526 20 5 HHBDLO CCOc1cc(C[N@H+](C)Cc2cc3c(cc2OC(F)F)OCO3)ccc1[N+](=O)[O-] ZINC000492793585 1000144529 /nfs/dbraw/zinc/14/45/29/1000144529.db2.gz VQIDHMYSCJVEAZ-UHFFFAOYSA-N 1 2 410.373 3.956 20 5 HHBDLO CCOc1cc(C[N@@H+](C)Cc2cc3c(cc2OC(F)F)OCO3)ccc1[N+](=O)[O-] ZINC000492793585 1000144532 /nfs/dbraw/zinc/14/45/32/1000144532.db2.gz VQIDHMYSCJVEAZ-UHFFFAOYSA-N 1 2 410.373 3.956 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000504831361 1000390553 /nfs/dbraw/zinc/39/05/53/1000390553.db2.gz MQWCSZABEXNXAG-HNNXBMFYSA-N 1 2 413.478 3.938 20 5 HHBDLO CN(C(=O)C[N@H+](C)Cc1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000494291980 1000415901 /nfs/dbraw/zinc/41/59/01/1000415901.db2.gz BBZRJHVWKBDQSP-UHFFFAOYSA-N 1 2 410.243 3.591 20 5 HHBDLO CN(C(=O)C[N@@H+](C)Cc1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000494291980 1000415906 /nfs/dbraw/zinc/41/59/06/1000415906.db2.gz BBZRJHVWKBDQSP-UHFFFAOYSA-N 1 2 410.243 3.591 20 5 HHBDLO C[N@H+](Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000505361869 1000724386 /nfs/dbraw/zinc/72/43/86/1000724386.db2.gz HZUZAORBNUXLFF-OAHLLOKOSA-N 1 2 410.879 3.659 20 5 HHBDLO 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Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000533248459 1007567102 /nfs/dbraw/zinc/56/71/02/1007567102.db2.gz PONZLRQRWIACPU-PKOBYXMFSA-N 1 2 424.284 3.739 20 5 HHBDLO Cc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)o1 ZINC000533290318 1007603280 /nfs/dbraw/zinc/60/32/80/1007603280.db2.gz YYMHMRYBWIBHSN-HNNXBMFYSA-N 1 2 401.419 3.781 20 5 HHBDLO Cc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)o1 ZINC000533290318 1007603286 /nfs/dbraw/zinc/60/32/86/1007603286.db2.gz YYMHMRYBWIBHSN-HNNXBMFYSA-N 1 2 401.419 3.781 20 5 HHBDLO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(SC)cc1OC ZINC000533293295 1007608264 /nfs/dbraw/zinc/60/82/64/1007608264.db2.gz FSDBFZKPMYURHL-ZDUSSCGKSA-N 1 2 419.503 3.793 20 5 HHBDLO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(SC)cc1OC ZINC000533293295 1007608272 /nfs/dbraw/zinc/60/82/72/1007608272.db2.gz FSDBFZKPMYURHL-ZDUSSCGKSA-N 1 2 419.503 3.793 20 5 HHBDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000533483312 1007792473 /nfs/dbraw/zinc/79/24/73/1007792473.db2.gz QSLMQUPTEPVGFI-AWEZNQCLSA-N 1 2 402.451 3.589 20 5 HHBDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000533483312 1007792487 /nfs/dbraw/zinc/79/24/87/1007792487.db2.gz QSLMQUPTEPVGFI-AWEZNQCLSA-N 1 2 402.451 3.589 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(Nc2cccc(C)c2)CC1 ZINC000533531166 1007851825 /nfs/dbraw/zinc/85/18/25/1007851825.db2.gz QVNCVOXEVNDWHP-INIZCTEOSA-N 1 2 412.490 3.815 20 5 HHBDLO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000536042858 1008075650 /nfs/dbraw/zinc/07/56/50/1008075650.db2.gz AYYICRBHSRNTBZ-UHFFFAOYSA-N 1 2 403.442 3.951 20 5 HHBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000533961310 1008235208 /nfs/dbraw/zinc/23/52/08/1008235208.db2.gz KBTCBTYHTCTNIW-NRFANRHFSA-N 1 2 407.474 3.691 20 5 HHBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000533961314 1008235245 /nfs/dbraw/zinc/23/52/45/1008235245.db2.gz KBTCBTYHTCTNIW-OAQYLSRUSA-N 1 2 407.474 3.691 20 5 HHBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000540047989 1008257128 /nfs/dbraw/zinc/25/71/28/1008257128.db2.gz NZUUSQXXCDEIMJ-AWEZNQCLSA-N 1 2 402.882 3.925 20 5 HHBDLO COc1ccc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000542965356 1008538927 /nfs/dbraw/zinc/53/89/27/1008538927.db2.gz WNEQERDSKRRVQW-PXNSSMCTSA-N 1 2 407.430 3.850 20 5 HHBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000549172737 1008746161 /nfs/dbraw/zinc/74/61/61/1008746161.db2.gz NZAFTFKSUYEGTA-UHFFFAOYSA-N 1 2 421.379 3.603 20 5 HHBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000549172737 1008746171 /nfs/dbraw/zinc/74/61/71/1008746171.db2.gz NZAFTFKSUYEGTA-UHFFFAOYSA-N 1 2 421.379 3.603 20 5 HHBDLO Cc1cccn2cc(Cc3noc(CCOc4ccc(Cl)cc4[N+](=O)[O-])n3)[nH+]c12 ZINC000545683825 1008777124 /nfs/dbraw/zinc/77/71/24/1008777124.db2.gz MTHMZQDAIBCYSI-UHFFFAOYSA-N 1 2 413.821 3.800 20 5 HHBDLO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2nc(C3CCCCC3)no2)c([N+](=O)[O-])c1 ZINC000543538365 1009129256 /nfs/dbraw/zinc/12/92/56/1009129256.db2.gz WIYOLFSTLUGLEC-ZDUSSCGKSA-N 1 2 417.466 3.714 20 5 HHBDLO COC(=O)c1cc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)cc([N+](=O)[O-])c1 ZINC000549692260 1009321533 /nfs/dbraw/zinc/32/15/33/1009321533.db2.gz FZLAIAUJYVOUCA-UHFFFAOYSA-N 1 2 420.425 3.834 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)n2)c1 ZINC000543913627 1009502306 /nfs/dbraw/zinc/50/23/06/1009502306.db2.gz CMHIAZSDCKAVGV-AWEZNQCLSA-N 1 2 422.367 3.697 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)n2)c1 ZINC000543913627 1009502320 /nfs/dbraw/zinc/50/23/20/1009502320.db2.gz CMHIAZSDCKAVGV-AWEZNQCLSA-N 1 2 422.367 3.697 20 5 HHBDLO CCC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccc1OC ZINC000544061250 1009665394 /nfs/dbraw/zinc/66/53/94/1009665394.db2.gz HATBBBXVVQQTMD-INIZCTEOSA-N 1 2 406.504 3.850 20 5 HHBDLO CCC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccc1OC ZINC000544061250 1009665403 /nfs/dbraw/zinc/66/54/03/1009665403.db2.gz HATBBBXVVQQTMD-INIZCTEOSA-N 1 2 406.504 3.850 20 5 HHBDLO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000544420530 1010038465 /nfs/dbraw/zinc/03/84/65/1010038465.db2.gz BZBZWFPLZCZCAA-JTQLQIEISA-N 1 2 424.383 3.871 20 5 HHBDLO Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000547376345 1010277412 /nfs/dbraw/zinc/27/74/12/1010277412.db2.gz ANMVTZFWQOSOLF-UHFFFAOYSA-N 1 2 422.832 4.180 20 5 HHBDLO O=C(NCc1ccc(F)cc1Br)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000548294766 1010583676 /nfs/dbraw/zinc/58/36/76/1010583676.db2.gz NHJPFFSKMRYSAV-UHFFFAOYSA-N 1 2 419.210 3.612 20 5 HHBDLO CCOc1cc(C[NH+]2CCN(c3cc(C(F)(F)F)ccn3)CC2)ccc1[N+](=O)[O-] ZINC000548916702 1010758701 /nfs/dbraw/zinc/75/87/01/1010758701.db2.gz BTJSURKEZDNBJA-UHFFFAOYSA-N 1 2 410.396 3.730 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1OC ZINC000541057792 1011698227 /nfs/dbraw/zinc/69/82/27/1011698227.db2.gz ATEGYBQYSKLCCQ-WRSAYESZSA-N 1 2 420.428 3.916 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1OC ZINC000541057792 1011698232 /nfs/dbraw/zinc/69/82/32/1011698232.db2.gz ATEGYBQYSKLCCQ-WRSAYESZSA-N 1 2 420.428 3.916 20 5 HHBDLO Cc1nnc(CN2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)s1 ZINC000536881539 1012128615 /nfs/dbraw/zinc/12/86/15/1012128615.db2.gz KYDHCBXATKPRKS-UHFFFAOYSA-N 1 2 415.544 3.801 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536917120 1012192031 /nfs/dbraw/zinc/19/20/31/1012192031.db2.gz QPQVHIOHGZGYGE-YJBOKZPZSA-N 1 2 424.835 3.674 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536917120 1012192038 /nfs/dbraw/zinc/19/20/38/1012192038.db2.gz QPQVHIOHGZGYGE-YJBOKZPZSA-N 1 2 424.835 3.674 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536917108 1012192276 /nfs/dbraw/zinc/19/22/76/1012192276.db2.gz QPQVHIOHGZGYGE-CRAIPNDOSA-N 1 2 424.835 3.674 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536917108 1012192286 /nfs/dbraw/zinc/19/22/86/1012192286.db2.gz QPQVHIOHGZGYGE-CRAIPNDOSA-N 1 2 424.835 3.674 20 5 HHBDLO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(N2CCCC2=O)c1 ZINC000537108564 1012480344 /nfs/dbraw/zinc/48/03/44/1012480344.db2.gz ZLMCHPCMBZNHDL-AWEZNQCLSA-N 1 2 407.430 3.622 20 5 HHBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000537154133 1012550320 /nfs/dbraw/zinc/55/03/20/1012550320.db2.gz UWEQSTDWOCNCSW-UHFFFAOYSA-N 1 2 416.503 3.888 20 5 HHBDLO COC(=O)c1cc(C)nc(N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000552973960 1012957130 /nfs/dbraw/zinc/95/71/30/1012957130.db2.gz DOPHECIYPYYGHO-CQSZACIVSA-N 1 2 418.881 3.621 20 5 HHBDLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001168293396 1072448064 /nfs/dbraw/zinc/44/80/64/1072448064.db2.gz NNIGRVRHBXKHGT-KRWDZBQOSA-N 1 2 411.849 3.932 20 5 HHBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000587066248 1072510390 /nfs/dbraw/zinc/51/03/90/1072510390.db2.gz BHOMXOIAOMHTLI-HNNXBMFYSA-N 1 2 400.504 3.818 20 5 HHBDLO COc1cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000571810641 1072861219 /nfs/dbraw/zinc/86/12/19/1072861219.db2.gz MQGBKHOHQMUMJS-DNVCBOLYSA-N 1 2 412.433 3.781 20 5 HHBDLO COc1cc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000571810641 1072861237 /nfs/dbraw/zinc/86/12/37/1072861237.db2.gz MQGBKHOHQMUMJS-DNVCBOLYSA-N 1 2 412.433 3.781 20 5 HHBDLO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(-n2cccn2)c(F)c1 ZINC000555626070 1073680649 /nfs/dbraw/zinc/68/06/49/1073680649.db2.gz PFKZWDCFOSJGSB-ZDUSSCGKSA-N 1 2 408.393 3.820 20 5 HHBDLO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000301382103 970898234 /nfs/dbraw/zinc/89/82/34/970898234.db2.gz ZPXMQRWXXPWKSX-UHFFFAOYSA-N 1 2 416.865 3.527 20 5 HHBDLO Cc1cc(NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)ncc1[N+](=O)[O-] ZINC000301418654 970918703 /nfs/dbraw/zinc/91/87/03/970918703.db2.gz DEQLIKVMYKMQOP-UHFFFAOYSA-N 1 2 422.464 3.771 20 5 HHBDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000301427302 970922377 /nfs/dbraw/zinc/92/23/77/970922377.db2.gz FADFXMHQJLBXJM-SFHVURJKSA-N 1 2 418.444 3.506 20 5 HHBDLO CC(C)c1cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)nc(C(C)C)[nH+]1 ZINC000301886813 971099674 /nfs/dbraw/zinc/09/96/74/971099674.db2.gz QFWBEHHQAHGBKT-UHFFFAOYSA-N 1 2 403.508 3.656 20 5 HHBDLO Cc1ccc([C@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000301931938 971121893 /nfs/dbraw/zinc/12/18/93/971121893.db2.gz MGGULQXAPIJIMO-INIZCTEOSA-N 1 2 409.533 3.617 20 5 HHBDLO COc1ccc(Cl)cc1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000302765886 971310172 /nfs/dbraw/zinc/31/01/72/971310172.db2.gz GSPSWOGRVKNICY-UHFFFAOYSA-N 1 2 400.822 3.715 20 5 HHBDLO Cn1cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000542166697 1013102992 /nfs/dbraw/zinc/10/29/92/1013102992.db2.gz TUNITSQBGHKQBF-UHFFFAOYSA-N 1 2 422.489 3.524 20 5 HHBDLO COc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1[N+](=O)[O-] ZINC000303443582 971735039 /nfs/dbraw/zinc/73/50/39/971735039.db2.gz CKTKEYSNKDNSQT-MRXNPFEDSA-N 1 2 421.856 3.790 20 5 HHBDLO COc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1[N+](=O)[O-] ZINC000303443582 971735047 /nfs/dbraw/zinc/73/50/47/971735047.db2.gz CKTKEYSNKDNSQT-MRXNPFEDSA-N 1 2 421.856 3.790 20 5 HHBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000303770853 972018339 /nfs/dbraw/zinc/01/83/39/972018339.db2.gz QPINXZGALDEDBG-UHFFFAOYSA-N 1 2 424.501 3.588 20 5 HHBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000303918491 972493340 /nfs/dbraw/zinc/49/33/40/972493340.db2.gz VMGQGSQDTGOHOM-UHFFFAOYSA-N 1 2 402.357 3.848 20 5 HHBDLO O=C(NC1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1)c1ccccc1 ZINC000022004555 963575574 /nfs/dbraw/zinc/57/55/74/963575574.db2.gz AITPIUFXCWGBJX-UHFFFAOYSA-N 1 2 412.471 3.724 20 5 HHBDLO CCc1ccc([C@H]([NH2+]C[C@H](C(C)C)N2CCN(C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542481715 1013429684 /nfs/dbraw/zinc/42/96/84/1013429684.db2.gz APVWJVRRXQSELL-FYYLOGMGSA-N 1 2 414.550 3.701 20 5 HHBDLO O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050395 963931965 /nfs/dbraw/zinc/93/19/65/963931965.db2.gz SJPGEQBGIOUKHT-UHFFFAOYSA-N 1 2 419.363 3.641 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000050231492 964291448 /nfs/dbraw/zinc/29/14/48/964291448.db2.gz INFGMRPKRVLICR-LJQANCHMSA-N 1 2 401.438 3.662 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000050231492 964291458 /nfs/dbraw/zinc/29/14/58/964291458.db2.gz INFGMRPKRVLICR-LJQANCHMSA-N 1 2 401.438 3.662 20 5 HHBDLO C[N@@H+]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](c2ccccc2)C1 ZINC000050293640 964303699 /nfs/dbraw/zinc/30/36/99/964303699.db2.gz DDRVWCLQLJGBQG-LJQANCHMSA-N 1 2 408.483 3.847 20 5 HHBDLO C[N@H+]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](c2ccccc2)C1 ZINC000050293640 964303710 /nfs/dbraw/zinc/30/37/10/964303710.db2.gz DDRVWCLQLJGBQG-LJQANCHMSA-N 1 2 408.483 3.847 20 5 HHBDLO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000025556898 964306088 /nfs/dbraw/zinc/30/60/88/964306088.db2.gz AGPPUSQIMZXIJJ-APWZRJJASA-N 1 2 414.531 3.531 20 5 HHBDLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 ZINC000542580581 1013521756 /nfs/dbraw/zinc/52/17/56/1013521756.db2.gz YOWPXQYFRVHFFG-NSHDSACASA-N 1 2 403.489 3.773 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000053370797 965147807 /nfs/dbraw/zinc/14/78/07/965147807.db2.gz TYCUARSKJLYLLE-IBGZPJMESA-N 1 2 403.866 3.959 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000053370797 965147811 /nfs/dbraw/zinc/14/78/11/965147811.db2.gz TYCUARSKJLYLLE-IBGZPJMESA-N 1 2 403.866 3.959 20 5 HHBDLO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000053714546 965251881 /nfs/dbraw/zinc/25/18/81/965251881.db2.gz LWWYUFYWIRVYGG-INIZCTEOSA-N 1 2 404.264 3.793 20 5 HHBDLO NC(=O)c1ccc(C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000053714546 965251894 /nfs/dbraw/zinc/25/18/94/965251894.db2.gz LWWYUFYWIRVYGG-INIZCTEOSA-N 1 2 404.264 3.793 20 5 HHBDLO O=[N+]([O-])c1cc(F)ccc1/C=C/c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000553760332 1013595118 /nfs/dbraw/zinc/59/51/18/1013595118.db2.gz AUCCDGCTYGMFQH-FNORWQNLSA-N 1 2 410.405 3.787 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031894108 966148369 /nfs/dbraw/zinc/14/83/69/966148369.db2.gz PUBJWDTUQHZRPG-QGZVFWFLSA-N 1 2 421.856 3.963 20 5 HHBDLO O=C(COc1cccc([N+](=O)[O-])c1)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000043805823 967038379 /nfs/dbraw/zinc/03/83/79/967038379.db2.gz BXZNJWPRVNKLLJ-UHFFFAOYSA-N 1 2 424.482 3.627 20 5 HHBDLO O=C(COc1cccc([N+](=O)[O-])c1)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000043805823 967038384 /nfs/dbraw/zinc/03/83/84/967038384.db2.gz BXZNJWPRVNKLLJ-UHFFFAOYSA-N 1 2 424.482 3.627 20 5 HHBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000064421589 967181655 /nfs/dbraw/zinc/18/16/55/967181655.db2.gz IXGYVIIQPYEBGP-GFCCVEGCSA-N 1 2 418.812 3.657 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000064482115 967209003 /nfs/dbraw/zinc/20/90/03/967209003.db2.gz WAWWMCPUDCZREL-UHFFFAOYSA-N 1 2 403.866 3.605 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000064482115 967209011 /nfs/dbraw/zinc/20/90/11/967209011.db2.gz WAWWMCPUDCZREL-UHFFFAOYSA-N 1 2 403.866 3.605 20 5 HHBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000064722547 967275747 /nfs/dbraw/zinc/27/57/47/967275747.db2.gz IKLZFYFUMIBJPU-CQSZACIVSA-N 1 2 414.849 3.577 20 5 HHBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)c1 ZINC000065085153 967370200 /nfs/dbraw/zinc/37/02/00/967370200.db2.gz SOEHRWISSCUVJB-UHFFFAOYSA-N 1 2 422.510 3.985 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000542882786 1013730988 /nfs/dbraw/zinc/73/09/88/1013730988.db2.gz HLEWQRRDHPGCIM-HOCLYGCPSA-N 1 2 417.510 3.834 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000542882786 1013730997 /nfs/dbraw/zinc/73/09/97/1013730997.db2.gz HLEWQRRDHPGCIM-HOCLYGCPSA-N 1 2 417.510 3.834 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)cc1OC ZINC000542882786 1013731004 /nfs/dbraw/zinc/73/10/04/1013731004.db2.gz HLEWQRRDHPGCIM-HOCLYGCPSA-N 1 2 417.510 3.834 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)cc1OC ZINC000542882786 1013731008 /nfs/dbraw/zinc/73/10/08/1013731008.db2.gz HLEWQRRDHPGCIM-HOCLYGCPSA-N 1 2 417.510 3.834 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)cc1OC ZINC000542882786 1013731014 /nfs/dbraw/zinc/73/10/14/1013731014.db2.gz HLEWQRRDHPGCIM-HOCLYGCPSA-N 1 2 417.510 3.834 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)cc1OC ZINC000542882786 1013731021 /nfs/dbraw/zinc/73/10/21/1013731021.db2.gz HLEWQRRDHPGCIM-HOCLYGCPSA-N 1 2 417.510 3.834 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000542882785 1013731134 /nfs/dbraw/zinc/73/11/34/1013731134.db2.gz HLEWQRRDHPGCIM-GOEBONIOSA-N 1 2 417.510 3.834 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000542882785 1013731138 /nfs/dbraw/zinc/73/11/38/1013731138.db2.gz HLEWQRRDHPGCIM-GOEBONIOSA-N 1 2 417.510 3.834 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)cc1OC ZINC000542882785 1013731149 /nfs/dbraw/zinc/73/11/49/1013731149.db2.gz HLEWQRRDHPGCIM-GOEBONIOSA-N 1 2 417.510 3.834 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)cc1OC ZINC000542882785 1013731155 /nfs/dbraw/zinc/73/11/55/1013731155.db2.gz HLEWQRRDHPGCIM-GOEBONIOSA-N 1 2 417.510 3.834 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)cc1OC ZINC000542882785 1013731164 /nfs/dbraw/zinc/73/11/64/1013731164.db2.gz HLEWQRRDHPGCIM-GOEBONIOSA-N 1 2 417.510 3.834 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)cc1OC ZINC000542882785 1013731169 /nfs/dbraw/zinc/73/11/69/1013731169.db2.gz HLEWQRRDHPGCIM-GOEBONIOSA-N 1 2 417.510 3.834 20 5 HHBDLO O=C(Nc1cc(Cl)ccc1-n1cccn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000046724398 967941899 /nfs/dbraw/zinc/94/18/99/967941899.db2.gz GMZXEBGZAAXQKO-UHFFFAOYSA-N 1 2 408.805 3.872 20 5 HHBDLO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000046845767 967988625 /nfs/dbraw/zinc/98/86/25/967988625.db2.gz VHCSEXYIHISPGX-UHFFFAOYSA-N 1 2 405.414 3.690 20 5 HHBDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1OC ZINC000046856036 967993197 /nfs/dbraw/zinc/99/31/97/967993197.db2.gz OURXYWZSNZZAJN-KRWDZBQOSA-N 1 2 410.430 3.999 20 5 HHBDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1OC ZINC000046856036 967993201 /nfs/dbraw/zinc/99/32/01/967993201.db2.gz OURXYWZSNZZAJN-KRWDZBQOSA-N 1 2 410.430 3.999 20 5 HHBDLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000096954357 969061768 /nfs/dbraw/zinc/06/17/68/969061768.db2.gz OUKWCQOQHZCVKA-GOSISDBHSA-N 1 2 410.430 3.999 20 5 HHBDLO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000096954357 969061777 /nfs/dbraw/zinc/06/17/77/969061777.db2.gz OUKWCQOQHZCVKA-GOSISDBHSA-N 1 2 410.430 3.999 20 5 HHBDLO C[C@H](Nc1ccc(C(=O)NCCCCn2cc[nH+]c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000145894651 970274807 /nfs/dbraw/zinc/27/48/07/970274807.db2.gz DPZOZYGMPXHGIN-INIZCTEOSA-N 1 2 408.462 3.570 20 5 HHBDLO COC(=O)c1cc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc([N+](=O)[O-])c1 ZINC000195623903 970567293 /nfs/dbraw/zinc/56/72/93/970567293.db2.gz MFYLBGMZEAJDGG-UHFFFAOYSA-N 1 2 420.425 3.834 20 5 HHBDLO O=C(CSc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410283318 973807255 /nfs/dbraw/zinc/80/72/55/973807255.db2.gz RTSRUCVCWIIAPC-OAHLLOKOSA-N 1 2 400.504 3.626 20 5 HHBDLO O=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000427548677 975176894 /nfs/dbraw/zinc/17/68/94/975176894.db2.gz YEZXKVNZDXWOSM-RXVVDRJESA-N 1 2 406.442 3.648 20 5 HHBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000430504731 977605790 /nfs/dbraw/zinc/60/57/90/977605790.db2.gz NQLKEUYDQGNQQY-UHFFFAOYSA-N 1 2 402.498 3.993 20 5 HHBDLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000433034299 979048096 /nfs/dbraw/zinc/04/80/96/979048096.db2.gz XYXCHUKKDKKUCT-ZOKDDAQRSA-N 1 2 424.526 3.790 20 5 HHBDLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000433034299 979048097 /nfs/dbraw/zinc/04/80/97/979048097.db2.gz XYXCHUKKDKKUCT-ZOKDDAQRSA-N 1 2 424.526 3.790 20 5 HHBDLO C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2[N+](=O)[O-])C1 ZINC000434045091 979783521 /nfs/dbraw/zinc/78/35/21/979783521.db2.gz CBNHEZUTHXOXCC-QFBILLFUSA-N 1 2 410.474 3.520 20 5 HHBDLO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434284620 980044703 /nfs/dbraw/zinc/04/47/03/980044703.db2.gz BTOOBKVGTKMNQZ-UHFFFAOYSA-N 1 2 411.384 3.545 20 5 HHBDLO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000434284620 980044710 /nfs/dbraw/zinc/04/47/10/980044710.db2.gz BTOOBKVGTKMNQZ-UHFFFAOYSA-N 1 2 411.384 3.545 20 5 HHBDLO C[NH+](C)[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccco1 ZINC000435816751 981043400 /nfs/dbraw/zinc/04/34/00/981043400.db2.gz KPERHQMIGYGXID-SFHVURJKSA-N 1 2 411.408 3.585 20 5 HHBDLO CCOc1cc(C[NH2+][C@@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000435903743 981084395 /nfs/dbraw/zinc/08/43/95/981084395.db2.gz VWJABKZRBIVYPA-FOIQADDNSA-N 1 2 406.504 3.566 20 5 HHBDLO O=C(CNc1ccccc1[N+](=O)[O-])N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000436022478 981162260 /nfs/dbraw/zinc/16/22/60/981162260.db2.gz RYAGSGUOLMGWDO-UHFFFAOYSA-N 1 2 413.865 3.586 20 5 HHBDLO O=C(C[NH+]1CCC(Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1)Nc1ccccc1 ZINC000436282735 981282918 /nfs/dbraw/zinc/28/29/18/981282918.db2.gz UJGOYIYMWXWLJI-UHFFFAOYSA-N 1 2 423.395 3.524 20 5 HHBDLO O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000436357078 981322364 /nfs/dbraw/zinc/32/23/64/981322364.db2.gz CLRUEFYYUIJZGK-GFCCVEGCSA-N 1 2 408.408 3.702 20 5 HHBDLO O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000436693966 981517223 /nfs/dbraw/zinc/51/72/23/981517223.db2.gz AETMBWWNMASNBE-UHFFFAOYSA-N 1 2 423.494 3.987 20 5 HHBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437172547 981826891 /nfs/dbraw/zinc/82/68/91/981826891.db2.gz PGBRIIAUZYOLRV-UHFFFAOYSA-N 1 2 418.375 3.831 20 5 HHBDLO CO[C@H](C)c1nc(CN2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])CC2)cs1 ZINC000437538214 982166778 /nfs/dbraw/zinc/16/67/78/982166778.db2.gz LXEUBRBDNJIOGZ-CQSZACIVSA-N 1 2 408.499 3.606 20 5 HHBDLO CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])CC2)cs1 ZINC000437538214 982166783 /nfs/dbraw/zinc/16/67/83/982166783.db2.gz LXEUBRBDNJIOGZ-CQSZACIVSA-N 1 2 408.499 3.606 20 5 HHBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437918479 982462787 /nfs/dbraw/zinc/46/27/87/982462787.db2.gz JEZGFTROORXYSO-UHFFFAOYSA-N 1 2 405.458 3.714 20 5 HHBDLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)cc2)c1C ZINC000461213701 982927173 /nfs/dbraw/zinc/92/71/73/982927173.db2.gz WEWMFGDVXQNRQN-UHFFFAOYSA-N 1 2 400.460 3.815 20 5 HHBDLO CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000440032397 983619460 /nfs/dbraw/zinc/61/94/60/983619460.db2.gz VPGLSBFMDVITPX-QFIPXVFZSA-N 1 2 408.458 3.584 20 5 HHBDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000440094046 983641854 /nfs/dbraw/zinc/64/18/54/983641854.db2.gz BDKUDXYUULEGSM-JTSKRJEESA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000440094046 983641856 /nfs/dbraw/zinc/64/18/56/983641856.db2.gz BDKUDXYUULEGSM-JTSKRJEESA-N 1 2 410.518 3.979 20 5 HHBDLO Cc1csc(C(C)(C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000440478419 983771154 /nfs/dbraw/zinc/77/11/54/983771154.db2.gz OCMXKXPZAFNHPG-UHFFFAOYSA-N 1 2 413.297 3.586 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440542676 983790061 /nfs/dbraw/zinc/79/00/61/983790061.db2.gz FIFVLCAGCQPTHE-HCROLABASA-N 1 2 417.506 3.600 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440542676 983790067 /nfs/dbraw/zinc/79/00/67/983790067.db2.gz FIFVLCAGCQPTHE-HCROLABASA-N 1 2 417.506 3.600 20 5 HHBDLO CC[C@@](C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1nccs1 ZINC000440691488 983855367 /nfs/dbraw/zinc/85/53/67/983855367.db2.gz HZYUPEVPAMMBPI-OAHLLOKOSA-N 1 2 413.297 3.667 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](CCCO)Cc3cccc(Cl)c3)o2)cc1 ZINC000441076621 984057547 /nfs/dbraw/zinc/05/75/47/984057547.db2.gz DNFCDTGSOWBXAM-UHFFFAOYSA-N 1 2 402.838 3.683 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](CCCO)Cc3cccc(Cl)c3)o2)cc1 ZINC000441076621 984057551 /nfs/dbraw/zinc/05/75/51/984057551.db2.gz DNFCDTGSOWBXAM-UHFFFAOYSA-N 1 2 402.838 3.683 20 5 HHBDLO COc1ccc(OCC[NH+]2CCN([C@@H](C)c3ccc(F)cc3F)CC2)c([N+](=O)[O-])c1 ZINC000441473504 984270236 /nfs/dbraw/zinc/27/02/36/984270236.db2.gz LVEWPVRCMFVYTB-HNNXBMFYSA-N 1 2 421.444 3.639 20 5 HHBDLO CCOC1CC(CNc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)([NH+]2CCOCC2)C1 ZINC000461935223 984940832 /nfs/dbraw/zinc/94/08/32/984940832.db2.gz NJBIVHIXTGPWNI-UHFFFAOYSA-N 1 2 417.428 3.604 20 5 HHBDLO COc1ccc(OC)c(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)c1 ZINC000462093663 985064380 /nfs/dbraw/zinc/06/43/80/985064380.db2.gz UINORODGBZREHM-UHFFFAOYSA-N 1 2 423.416 3.536 20 5 HHBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000462412572 985386899 /nfs/dbraw/zinc/38/68/99/985386899.db2.gz YRLCNSZMYKTUEE-UHFFFAOYSA-N 1 2 407.392 3.880 20 5 HHBDLO O=[N+]([O-])c1ccc(N2CC[C@H](CNc3cccc[nH+]3)C2)nc1OCc1ccccc1 ZINC000462487237 985441591 /nfs/dbraw/zinc/44/15/91/985441591.db2.gz SVISXEHGSFIYKJ-GOSISDBHSA-N 1 2 405.458 3.902 20 5 HHBDLO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)[NH+]2CCOCC2)cc1 ZINC000462788104 985722996 /nfs/dbraw/zinc/72/29/96/985722996.db2.gz FEQZEGZIONLQKD-GOSISDBHSA-N 1 2 407.417 3.990 20 5 HHBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3coc(-c4c(F)cccc4F)n3)C2)nc1 ZINC000443588684 985764749 /nfs/dbraw/zinc/76/47/49/985764749.db2.gz CVGYWBJQOUCYMC-LBPRGKRZSA-N 1 2 401.373 3.609 20 5 HHBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3coc(-c4c(F)cccc4F)n3)C2)nc1 ZINC000443588684 985764755 /nfs/dbraw/zinc/76/47/55/985764755.db2.gz CVGYWBJQOUCYMC-LBPRGKRZSA-N 1 2 401.373 3.609 20 5 HHBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000463087588 986044002 /nfs/dbraw/zinc/04/40/02/986044002.db2.gz VUZZEELPXHVBER-CQSZACIVSA-N 1 2 423.922 3.984 20 5 HHBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000463088151 986045055 /nfs/dbraw/zinc/04/50/55/986045055.db2.gz BWAKZMYJXTYLKG-ZIAGYGMSSA-N 1 2 423.922 3.982 20 5 HHBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000463088149 986045676 /nfs/dbraw/zinc/04/56/76/986045676.db2.gz BWAKZMYJXTYLKG-KGLIPLIRSA-N 1 2 423.922 3.982 20 5 HHBDLO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000469194902 986919707 /nfs/dbraw/zinc/91/97/07/986919707.db2.gz KHSLQKQGSKYGFY-UHFFFAOYSA-N 1 2 420.416 3.749 20 5 HHBDLO O=C(C[NH+]1CCC(CO)(Cc2ccccc2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000444786416 986942439 /nfs/dbraw/zinc/94/24/39/986942439.db2.gz OBVPXZNYFCGNIP-UHFFFAOYSA-N 1 2 417.893 3.504 20 5 HHBDLO CCOc1cc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])cc1OCC ZINC000444835420 986993371 /nfs/dbraw/zinc/99/33/71/986993371.db2.gz JYXNZWVFZCNXCK-AWEZNQCLSA-N 1 2 417.466 3.537 20 5 HHBDLO CC(C)CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000469281716 987000410 /nfs/dbraw/zinc/00/04/10/987000410.db2.gz NLKZSFJXDILSFZ-RHSMWYFYSA-N 1 2 418.519 3.792 20 5 HHBDLO CC(C)CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000469281716 987000415 /nfs/dbraw/zinc/00/04/15/987000415.db2.gz NLKZSFJXDILSFZ-RHSMWYFYSA-N 1 2 418.519 3.792 20 5 HHBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000444967656 987098907 /nfs/dbraw/zinc/09/89/07/987098907.db2.gz RCFZIMKCKIMABR-INIZCTEOSA-N 1 2 400.482 3.510 20 5 HHBDLO C[C@@H](c1cccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1)[NH+]1CCOCC1 ZINC000467359215 992677508 /nfs/dbraw/zinc/67/75/08/992677508.db2.gz BVCTXQXBLFMFMK-AWEZNQCLSA-N 1 2 418.881 3.963 20 5 HHBDLO COC(=O)COc1ccc(C[NH2+][C@H](c2cccc(C)c2)c2ccccn2)cc1[N+](=O)[O-] ZINC000473986949 994973744 /nfs/dbraw/zinc/97/37/44/994973744.db2.gz KTZHPWKEBGJLAB-HSZRJFAPSA-N 1 2 421.453 3.729 20 5 HHBDLO CCc1ccc([C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CCO2)cc1 ZINC000482059938 994990516 /nfs/dbraw/zinc/99/05/16/994990516.db2.gz HFBWSNAXBIBVTE-OAQYLSRUSA-N 1 2 406.442 3.557 20 5 HHBDLO COC(=O)COc1ccc(C[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)cc1[N+](=O)[O-] ZINC000474354645 995334534 /nfs/dbraw/zinc/33/45/34/995334534.db2.gz JTLDGSPHANUZTK-GFCCVEGCSA-N 1 2 407.492 3.751 20 5 HHBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1c(F)ccc(I)c1F ZINC000474468230 995430278 /nfs/dbraw/zinc/43/02/78/995430278.db2.gz DWXFDQWAVAHEBR-UHFFFAOYSA-N 1 2 404.154 3.767 20 5 HHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)cc1OC ZINC000483198930 996032982 /nfs/dbraw/zinc/03/29/82/996032982.db2.gz MNLGWWCITMUKHQ-OPAMFIHVSA-N 1 2 422.522 3.798 20 5 HHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)cc1OC ZINC000483198930 996032987 /nfs/dbraw/zinc/03/29/87/996032987.db2.gz MNLGWWCITMUKHQ-OPAMFIHVSA-N 1 2 422.522 3.798 20 5 HHBDLO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N1Cc2ccccc2C1 ZINC000475496254 996179407 /nfs/dbraw/zinc/17/94/07/996179407.db2.gz GSHXWUYCOZKNHG-AWEZNQCLSA-N 1 2 408.483 3.739 20 5 HHBDLO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000483645847 996305414 /nfs/dbraw/zinc/30/54/14/996305414.db2.gz LJMXKGDFNTYTQJ-HUUCEWRRSA-N 1 2 409.446 3.637 20 5 HHBDLO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1nc(Cc2ccccc2)no1 ZINC000483652846 996309570 /nfs/dbraw/zinc/30/95/70/996309570.db2.gz LEVJBGZFERWEJT-HNNXBMFYSA-N 1 2 418.457 3.820 20 5 HHBDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000476235508 996696049 /nfs/dbraw/zinc/69/60/49/996696049.db2.gz LKWDUSGBEKAUGB-UHFFFAOYSA-N 1 2 424.457 3.628 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484348642 996720252 /nfs/dbraw/zinc/72/02/52/996720252.db2.gz FBMOXROOSAFDJP-XHDPSFHLSA-N 1 2 403.401 3.841 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484348642 996720260 /nfs/dbraw/zinc/72/02/60/996720260.db2.gz FBMOXROOSAFDJP-XHDPSFHLSA-N 1 2 403.401 3.841 20 5 HHBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cccc(SC)c3[N+](=O)[O-])CC2)c1 ZINC000486237413 998667654 /nfs/dbraw/zinc/66/76/54/998667654.db2.gz XPLPYBGSNOLKNE-OAHLLOKOSA-N 1 2 415.515 3.844 20 5 HHBDLO CCc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000478065773 998744982 /nfs/dbraw/zinc/74/49/82/998744982.db2.gz XGOVXOYQPDFBTE-INIZCTEOSA-N 1 2 400.504 3.512 20 5 HHBDLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000478065773 998744985 /nfs/dbraw/zinc/74/49/85/998744985.db2.gz XGOVXOYQPDFBTE-INIZCTEOSA-N 1 2 400.504 3.512 20 5 HHBDLO CCc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)CCC2 ZINC000478275909 998858899 /nfs/dbraw/zinc/85/88/99/998858899.db2.gz FUNHUKBSLJFCBB-INIZCTEOSA-N 1 2 411.487 3.949 20 5 HHBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000486679163 998889725 /nfs/dbraw/zinc/88/97/25/998889725.db2.gz YXSXTWDOUWFLJW-UHFFFAOYSA-N 1 2 419.503 3.626 20 5 HHBDLO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000486698863 998897899 /nfs/dbraw/zinc/89/78/99/998897899.db2.gz JHJNDWHQCWGQDJ-UHFFFAOYSA-N 1 2 405.458 3.881 20 5 HHBDLO O=C(Nc1nnc(/C=C\c2ccco2)s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000490272282 999926572 /nfs/dbraw/zinc/92/65/72/999926572.db2.gz KYQZSFIWESCZSP-XQRVVYSFSA-N 1 2 408.399 3.648 20 5 HHBDLO CC[N@H+](Cc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1)C1CC1 ZINC000490374547 999947140 /nfs/dbraw/zinc/94/71/40/999947140.db2.gz YVJGTEXNTNLFCP-UHFFFAOYSA-N 1 2 406.446 3.617 20 5 HHBDLO CC[N@@H+](Cc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1)C1CC1 ZINC000490374547 999947141 /nfs/dbraw/zinc/94/71/41/999947141.db2.gz YVJGTEXNTNLFCP-UHFFFAOYSA-N 1 2 406.446 3.617 20 5 HHBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCCc1nc2ccccc2s1 ZINC000490796678 1000007350 /nfs/dbraw/zinc/00/73/50/1000007350.db2.gz SQMSKYGYOQUENM-UHFFFAOYSA-N 1 2 410.499 3.528 20 5 HHBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCCc1nc2ccccc2s1 ZINC000490796678 1000007351 /nfs/dbraw/zinc/00/73/51/1000007351.db2.gz SQMSKYGYOQUENM-UHFFFAOYSA-N 1 2 410.499 3.528 20 5 HHBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000491092332 1000044824 /nfs/dbraw/zinc/04/48/24/1000044824.db2.gz RWAGBMLLVHOQBU-OAHLLOKOSA-N 1 2 402.344 3.624 20 5 HHBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000491092332 1000044826 /nfs/dbraw/zinc/04/48/26/1000044826.db2.gz RWAGBMLLVHOQBU-OAHLLOKOSA-N 1 2 402.344 3.624 20 5 HHBDLO COc1cc(C[NH+]2CCC(Oc3ccccn3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491144255 1000049842 /nfs/dbraw/zinc/04/98/42/1000049842.db2.gz YWDWJSDPQYLVMS-UHFFFAOYSA-N 1 2 423.416 3.686 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000505114544 1000557943 /nfs/dbraw/zinc/55/79/43/1000557943.db2.gz ODEXBMYHZRPGOM-LJQANCHMSA-N 1 2 412.833 3.648 20 5 HHBDLO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494663658 1000594012 /nfs/dbraw/zinc/59/40/12/1000594012.db2.gz WKOFRUQXLDPYCV-CQSZACIVSA-N 1 2 423.922 3.981 20 5 HHBDLO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494663658 1000594015 /nfs/dbraw/zinc/59/40/15/1000594015.db2.gz WKOFRUQXLDPYCV-CQSZACIVSA-N 1 2 423.922 3.981 20 5 HHBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(-n2cccn2)c(F)c1 ZINC000505275607 1000663114 /nfs/dbraw/zinc/66/31/14/1000663114.db2.gz VFAFJAWICSMJDI-CQSZACIVSA-N 1 2 420.404 3.596 20 5 HHBDLO CC(C)CCSc1ccc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000505578016 1000917674 /nfs/dbraw/zinc/91/76/74/1000917674.db2.gz DAYJQRURJSWWBN-SFHVURJKSA-N 1 2 414.531 3.915 20 5 HHBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000506180233 1001263817 /nfs/dbraw/zinc/26/38/17/1001263817.db2.gz SLDJWNGOOLNRLL-HWKANZROSA-N 1 2 403.280 3.588 20 5 HHBDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC ZINC000497098461 1001269763 /nfs/dbraw/zinc/26/97/63/1001269763.db2.gz NOHASAOWUMJDEK-KRWDZBQOSA-N 1 2 410.430 3.999 20 5 HHBDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC ZINC000497098461 1001269769 /nfs/dbraw/zinc/26/97/69/1001269769.db2.gz NOHASAOWUMJDEK-KRWDZBQOSA-N 1 2 410.430 3.999 20 5 HHBDLO CSc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000497488035 1001395822 /nfs/dbraw/zinc/39/58/22/1001395822.db2.gz HVGBWJURIHDILB-MAUKXSAKSA-N 1 2 407.442 3.770 20 5 HHBDLO CSc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000497488035 1001395823 /nfs/dbraw/zinc/39/58/23/1001395823.db2.gz HVGBWJURIHDILB-MAUKXSAKSA-N 1 2 407.442 3.770 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000498077921 1001632372 /nfs/dbraw/zinc/63/23/72/1001632372.db2.gz LQMZKXZHCWDEGM-UHFFFAOYSA-N 1 2 421.457 3.554 20 5 HHBDLO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000507092236 1001802082 /nfs/dbraw/zinc/80/20/82/1001802082.db2.gz ZYLHFXMLXNLPAZ-SGTLLEGYSA-N 1 2 407.829 3.516 20 5 HHBDLO C[N@H+]1CC[C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000507092236 1001802092 /nfs/dbraw/zinc/80/20/92/1001802092.db2.gz ZYLHFXMLXNLPAZ-SGTLLEGYSA-N 1 2 407.829 3.516 20 5 HHBDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000498829797 1002214615 /nfs/dbraw/zinc/21/46/15/1002214615.db2.gz ZLDHESLHHMZDBL-QZTJIDSGSA-N 1 2 424.284 3.703 20 5 HHBDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000498829797 1002214628 /nfs/dbraw/zinc/21/46/28/1002214628.db2.gz ZLDHESLHHMZDBL-QZTJIDSGSA-N 1 2 424.284 3.703 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000499153261 1002537082 /nfs/dbraw/zinc/53/70/82/1002537082.db2.gz FNHHFGGITLXSNB-OALUTQOASA-N 1 2 418.881 3.750 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000499153261 1002537093 /nfs/dbraw/zinc/53/70/93/1002537093.db2.gz FNHHFGGITLXSNB-OALUTQOASA-N 1 2 418.881 3.750 20 5 HHBDLO Cc1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000499153840 1002537115 /nfs/dbraw/zinc/53/71/15/1002537115.db2.gz HTHRVZKZINPRMD-MOPGFXCFSA-N 1 2 418.881 3.750 20 5 HHBDLO Cc1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000499153840 1002537127 /nfs/dbraw/zinc/53/71/27/1002537127.db2.gz HTHRVZKZINPRMD-MOPGFXCFSA-N 1 2 418.881 3.750 20 5 HHBDLO Cc1c(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000499168313 1002554789 /nfs/dbraw/zinc/55/47/89/1002554789.db2.gz OWJGWSRVLZCLOB-MOPGFXCFSA-N 1 2 418.881 3.750 20 5 HHBDLO Cc1c(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000499168313 1002554800 /nfs/dbraw/zinc/55/48/00/1002554800.db2.gz OWJGWSRVLZCLOB-MOPGFXCFSA-N 1 2 418.881 3.750 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000500022690 1003349387 /nfs/dbraw/zinc/34/93/87/1003349387.db2.gz OWJNQBOTEURHKA-MAUKXSAKSA-N 1 2 406.845 3.535 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000500022690 1003349392 /nfs/dbraw/zinc/34/93/92/1003349392.db2.gz OWJNQBOTEURHKA-MAUKXSAKSA-N 1 2 406.845 3.535 20 5 HHBDLO COc1cccc(C2(F)CC[NH+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000500158251 1003513106 /nfs/dbraw/zinc/51/31/06/1003513106.db2.gz XGJBYAZPFUMDOX-HNNXBMFYSA-N 1 2 401.438 3.891 20 5 HHBDLO COc1cccc(C2(F)CC[NH+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])CC2)c1 ZINC000500168611 1003521141 /nfs/dbraw/zinc/52/11/41/1003521141.db2.gz SQHZEWNVYRGSTG-UHFFFAOYSA-N 1 2 401.438 3.811 20 5 HHBDLO CSCCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000500738310 1003929889 /nfs/dbraw/zinc/92/98/89/1003929889.db2.gz OCTCKFWCJOWXKV-UHFFFAOYSA-N 1 2 405.545 3.721 20 5 HHBDLO CCCN([C@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000509626312 1003989330 /nfs/dbraw/zinc/98/93/30/1003989330.db2.gz QPUWBUDCNFBKEX-KRWDZBQOSA-N 1 2 423.560 3.722 20 5 HHBDLO CCCN([C@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000509626312 1003989335 /nfs/dbraw/zinc/98/93/35/1003989335.db2.gz QPUWBUDCNFBKEX-KRWDZBQOSA-N 1 2 423.560 3.722 20 5 HHBDLO Cc1ccc(CNC(=O)C2CC[NH+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000509688450 1004031036 /nfs/dbraw/zinc/03/10/36/1004031036.db2.gz ZJZRAIJZTUHHDD-UHFFFAOYSA-N 1 2 403.429 3.710 20 5 HHBDLO O=C(CCCc1ccccc1)N[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000510630766 1004764742 /nfs/dbraw/zinc/76/47/42/1004764742.db2.gz CWFDSNNCQKFYLK-SFHVURJKSA-N 1 2 422.485 3.840 20 5 HHBDLO O=C(CCCc1ccccc1)N[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000510630766 1004764747 /nfs/dbraw/zinc/76/47/47/1004764747.db2.gz CWFDSNNCQKFYLK-SFHVURJKSA-N 1 2 422.485 3.840 20 5 HHBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000510723967 1004817585 /nfs/dbraw/zinc/81/75/85/1004817585.db2.gz UUBGQEZRAQHODY-NYHFZMIOSA-N 1 2 406.442 3.880 20 5 HHBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000510723967 1004817588 /nfs/dbraw/zinc/81/75/88/1004817588.db2.gz UUBGQEZRAQHODY-NYHFZMIOSA-N 1 2 406.442 3.880 20 5 HHBDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)c([N+](=O)[O-])cc1OC ZINC000513133324 1004824843 /nfs/dbraw/zinc/82/48/43/1004824843.db2.gz GQBDIXMMRVADSS-MRXNPFEDSA-N 1 2 400.431 3.720 20 5 HHBDLO COc1cc(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)c([N+](=O)[O-])cc1OC ZINC000513133324 1004824848 /nfs/dbraw/zinc/82/48/48/1004824848.db2.gz GQBDIXMMRVADSS-MRXNPFEDSA-N 1 2 400.431 3.720 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCCN(Cc4cscn4)CC3)cs2)c1 ZINC000513386295 1004937998 /nfs/dbraw/zinc/93/79/98/1004937998.db2.gz JAVFJSVREMFIEI-UHFFFAOYSA-N 1 2 415.544 3.883 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCCN(Cc4cscn4)CC3)cs2)c1 ZINC000513386295 1004938002 /nfs/dbraw/zinc/93/80/02/1004938002.db2.gz JAVFJSVREMFIEI-UHFFFAOYSA-N 1 2 415.544 3.883 20 5 HHBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513998038 1005220661 /nfs/dbraw/zinc/22/06/61/1005220661.db2.gz YJBKKUQWACFANB-MRXNPFEDSA-N 1 2 424.682 3.797 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000511641955 1005257268 /nfs/dbraw/zinc/25/72/68/1005257268.db2.gz VAEBAMVJCKAHSI-UHFFFAOYSA-N 1 2 417.893 3.995 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000511641955 1005257272 /nfs/dbraw/zinc/25/72/72/1005257272.db2.gz VAEBAMVJCKAHSI-UHFFFAOYSA-N 1 2 417.893 3.995 20 5 HHBDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1OC ZINC000514128660 1005279217 /nfs/dbraw/zinc/27/92/17/1005279217.db2.gz MGDPZHFIKRMOHY-QGZVFWFLSA-N 1 2 410.430 3.999 20 5 HHBDLO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1OC ZINC000514128660 1005279221 /nfs/dbraw/zinc/27/92/21/1005279221.db2.gz MGDPZHFIKRMOHY-QGZVFWFLSA-N 1 2 410.430 3.999 20 5 HHBDLO CC1CC[NH+](Cc2csc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)CC1 ZINC000534071105 1006042755 /nfs/dbraw/zinc/04/27/55/1006042755.db2.gz XLUWKIQZTBXNIE-UHFFFAOYSA-N 1 2 413.503 3.946 20 5 HHBDLO C[C@@H]([NH2+][C@H](C)c1cn(-c2ccccc2)nn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000531859020 1006480729 /nfs/dbraw/zinc/48/07/29/1006480729.db2.gz VQEMDAXIXJJGKI-CHWSQXEVSA-N 1 2 414.853 3.507 20 5 HHBDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000531869021 1006489485 /nfs/dbraw/zinc/48/94/85/1006489485.db2.gz WBQBTYPZPWFIII-CQSZACIVSA-N 1 2 402.451 3.589 20 5 HHBDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000531869021 1006489488 /nfs/dbraw/zinc/48/94/88/1006489488.db2.gz WBQBTYPZPWFIII-CQSZACIVSA-N 1 2 402.451 3.589 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000534571695 1006560740 /nfs/dbraw/zinc/56/07/40/1006560740.db2.gz DMUZDOWSZDNJCL-LJQANCHMSA-N 1 2 420.473 3.854 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000534571695 1006560745 /nfs/dbraw/zinc/56/07/45/1006560745.db2.gz DMUZDOWSZDNJCL-LJQANCHMSA-N 1 2 420.473 3.854 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000538400019 1006668758 /nfs/dbraw/zinc/66/87/58/1006668758.db2.gz FMMGVTHGMGLBQX-HNNXBMFYSA-N 1 2 418.519 3.999 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000538400019 1006668765 /nfs/dbraw/zinc/66/87/65/1006668765.db2.gz FMMGVTHGMGLBQX-HNNXBMFYSA-N 1 2 418.519 3.999 20 5 HHBDLO O=C(NCc1ccccc1OCC(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000515993523 1006816289 /nfs/dbraw/zinc/81/62/89/1006816289.db2.gz OIZITYHWMSTCSK-UHFFFAOYSA-N 1 2 420.347 3.652 20 5 HHBDLO CC[C@@H]1C[N@@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C[C@@H]1O ZINC000534863289 1006888647 /nfs/dbraw/zinc/88/86/47/1006888647.db2.gz DAUKZZMTCHABSY-ZNZDAUKMSA-N 1 2 403.866 3.631 20 5 HHBDLO CC[C@@H]1C[N@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C[C@@H]1O ZINC000534863289 1006888655 /nfs/dbraw/zinc/88/86/55/1006888655.db2.gz DAUKZZMTCHABSY-ZNZDAUKMSA-N 1 2 403.866 3.631 20 5 HHBDLO COc1cc(C[N@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC(F)F ZINC000535066763 1007089063 /nfs/dbraw/zinc/08/90/63/1007089063.db2.gz ZXGPZLDXRDLLNH-UHFFFAOYSA-N 1 2 412.389 3.854 20 5 HHBDLO COc1cc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC(F)F ZINC000535066763 1007089073 /nfs/dbraw/zinc/08/90/73/1007089073.db2.gz ZXGPZLDXRDLLNH-UHFFFAOYSA-N 1 2 412.389 3.854 20 5 HHBDLO COc1cccc(C[C@H]2CCC[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000532925312 1007297284 /nfs/dbraw/zinc/29/72/84/1007297284.db2.gz UTVRZOJUJCSISQ-OAHLLOKOSA-N 1 2 403.866 3.902 20 5 HHBDLO COc1cccc(C[C@H]2CCC[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000532925312 1007297294 /nfs/dbraw/zinc/29/72/94/1007297294.db2.gz UTVRZOJUJCSISQ-OAHLLOKOSA-N 1 2 403.866 3.902 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000532926889 1007299575 /nfs/dbraw/zinc/29/95/75/1007299575.db2.gz DYHBGOJVKYBBNS-QFBILLFUSA-N 1 2 424.284 3.739 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000532926889 1007299587 /nfs/dbraw/zinc/29/95/87/1007299587.db2.gz DYHBGOJVKYBBNS-QFBILLFUSA-N 1 2 424.284 3.739 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(Oc3ccc(C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000532975918 1007344589 /nfs/dbraw/zinc/34/45/89/1007344589.db2.gz WAHKSJXVPHYGBP-INIZCTEOSA-N 1 2 413.474 3.782 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539218775 1007509303 /nfs/dbraw/zinc/50/93/03/1007509303.db2.gz XUDZHZZVICMCSH-QFBILLFUSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539218775 1007509311 /nfs/dbraw/zinc/50/93/11/1007509311.db2.gz XUDZHZZVICMCSH-QFBILLFUSA-N 1 2 421.856 3.961 20 5 HHBDLO COc1cc([C@@H](C)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc(OC)c1OC ZINC000539225353 1007517908 /nfs/dbraw/zinc/51/79/08/1007517908.db2.gz HWXHRHAWLHALOG-GFCCVEGCSA-N 1 2 414.418 3.521 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000533284723 1007596685 /nfs/dbraw/zinc/59/66/85/1007596685.db2.gz YVOAMDJATDYDEZ-YVMONPNESA-N 1 2 408.502 3.563 20 5 HHBDLO COc1ccccc1COC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000535792764 1007799195 /nfs/dbraw/zinc/79/91/95/1007799195.db2.gz RXTBJKHVTZQLHV-MRXNPFEDSA-N 1 2 413.474 3.612 20 5 HHBDLO COc1ccccc1COC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000535792763 1007799237 /nfs/dbraw/zinc/79/92/37/1007799237.db2.gz RXTBJKHVTZQLHV-INIZCTEOSA-N 1 2 413.474 3.612 20 5 HHBDLO O=C(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N[C@H](c1ccccc1)C1CCCC1 ZINC000533516939 1007835700 /nfs/dbraw/zinc/83/57/00/1007835700.db2.gz VVYZEUYCFIAJRT-AUSIDOKSSA-N 1 2 423.517 3.524 20 5 HHBDLO O=C(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N[C@H](c1ccccc1)C1CCCC1 ZINC000533516939 1007835711 /nfs/dbraw/zinc/83/57/11/1007835711.db2.gz VVYZEUYCFIAJRT-AUSIDOKSSA-N 1 2 423.517 3.524 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533629028 1007932917 /nfs/dbraw/zinc/93/29/17/1007932917.db2.gz UGEJQVKBZHHVJX-WMZOPIPTSA-N 1 2 406.845 3.632 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533629028 1007932925 /nfs/dbraw/zinc/93/29/25/1007932925.db2.gz UGEJQVKBZHHVJX-WMZOPIPTSA-N 1 2 406.845 3.632 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533629022 1007932943 /nfs/dbraw/zinc/93/29/43/1007932943.db2.gz UGEJQVKBZHHVJX-AEFFLSMTSA-N 1 2 406.845 3.632 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533629022 1007932952 /nfs/dbraw/zinc/93/29/52/1007932952.db2.gz UGEJQVKBZHHVJX-AEFFLSMTSA-N 1 2 406.845 3.632 20 5 HHBDLO COc1cc(OC)cc([C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c2nccn2C)c1 ZINC000539711689 1008029100 /nfs/dbraw/zinc/02/91/00/1008029100.db2.gz CPDYJSPVFBXMGY-LHFJYWTJSA-N 1 2 408.458 3.738 20 5 HHBDLO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000533722225 1008048309 /nfs/dbraw/zinc/04/83/09/1008048309.db2.gz FFUYCKSWPPBPED-OAHLLOKOSA-N 1 2 422.441 3.759 20 5 HHBDLO Nc1cc2c(nn1)CC[N@H+](Cc1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)C2 ZINC000539839412 1008131209 /nfs/dbraw/zinc/13/12/09/1008131209.db2.gz LMTOYERLMQSCOI-UHFFFAOYSA-N 1 2 411.849 3.971 20 5 HHBDLO Nc1cc2c(nn1)CC[N@@H+](Cc1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)C2 ZINC000539839412 1008131214 /nfs/dbraw/zinc/13/12/14/1008131214.db2.gz LMTOYERLMQSCOI-UHFFFAOYSA-N 1 2 411.849 3.971 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC=C(c4ccc5c(c4)OCCO5)CC3)n2)c1 ZINC000540043601 1008252927 /nfs/dbraw/zinc/25/29/27/1008252927.db2.gz ALRFDYFGUXDQTD-UHFFFAOYSA-N 1 2 420.425 3.705 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC=C(c4ccc5c(c4)OCCO5)CC3)n2)c1 ZINC000540043601 1008252933 /nfs/dbraw/zinc/25/29/33/1008252933.db2.gz ALRFDYFGUXDQTD-UHFFFAOYSA-N 1 2 420.425 3.705 20 5 HHBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000518643954 1008377041 /nfs/dbraw/zinc/37/70/41/1008377041.db2.gz HZTOBFOVZMDXRO-OAHLLOKOSA-N 1 2 412.471 3.990 20 5 HHBDLO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(N2CCCC2=O)c1 ZINC000540409791 1008421058 /nfs/dbraw/zinc/42/10/58/1008421058.db2.gz MRHVAEPJFIAMOO-AWEZNQCLSA-N 1 2 407.430 3.622 20 5 HHBDLO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)ccc2NC1=O ZINC000540458782 1008440334 /nfs/dbraw/zinc/44/03/34/1008440334.db2.gz PPAMGWPLTCWPIE-YVEFUNNKSA-N 1 2 423.429 3.605 20 5 HHBDLO O=[N+]([O-])c1ccc(NCc2ccccc2OCC[NH+]2CCOCC2)c(OC(F)F)c1 ZINC000545484421 1008589499 /nfs/dbraw/zinc/58/94/99/1008589499.db2.gz RNOVDAPFACZJIN-UHFFFAOYSA-N 1 2 423.416 3.519 20 5 HHBDLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000549808049 1009415101 /nfs/dbraw/zinc/41/51/01/1009415101.db2.gz HFHRFTIQUBRFCP-UHFFFAOYSA-N 1 2 413.446 3.704 20 5 HHBDLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000549808049 1009415115 /nfs/dbraw/zinc/41/51/15/1009415115.db2.gz HFHRFTIQUBRFCP-UHFFFAOYSA-N 1 2 413.446 3.704 20 5 HHBDLO CCc1noc(C)c1C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000549843342 1009457719 /nfs/dbraw/zinc/45/77/19/1009457719.db2.gz KIBZHJKKSAOYCD-UHFFFAOYSA-N 1 2 403.357 3.693 20 5 HHBDLO CN1CC[N@H+](C)C[C@@H]1c1noc(/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000546497197 1009517646 /nfs/dbraw/zinc/51/76/46/1009517646.db2.gz IZDNPJQPRBFKPI-SYJIQKIWSA-N 1 2 411.487 3.795 20 5 HHBDLO CN1CC[N@@H+](C)C[C@@H]1c1noc(/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000546497197 1009517658 /nfs/dbraw/zinc/51/76/58/1009517658.db2.gz IZDNPJQPRBFKPI-SYJIQKIWSA-N 1 2 411.487 3.795 20 5 HHBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000520387712 1009525873 /nfs/dbraw/zinc/52/58/73/1009525873.db2.gz FKJIVVWJOVGBEZ-AWEZNQCLSA-N 1 2 414.849 3.577 20 5 HHBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000544024973 1009624642 /nfs/dbraw/zinc/62/46/42/1009624642.db2.gz YQJTZSRMKSZZSI-UHFFFAOYSA-N 1 2 421.295 3.886 20 5 HHBDLO CCc1oc2ccccc2c1C[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544071644 1009675371 /nfs/dbraw/zinc/67/53/71/1009675371.db2.gz SOGPAROPZOTNSH-UHFFFAOYSA-N 1 2 402.472 3.809 20 5 HHBDLO CCc1oc2ccccc2c1C[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544071644 1009675375 /nfs/dbraw/zinc/67/53/75/1009675375.db2.gz SOGPAROPZOTNSH-UHFFFAOYSA-N 1 2 402.472 3.809 20 5 HHBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H](C)O1 ZINC000520971467 1010014580 /nfs/dbraw/zinc/01/45/80/1010014580.db2.gz VYSGGYABLWFYOQ-IAGOWNOFSA-N 1 2 422.485 3.797 20 5 HHBDLO CC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1nc(C(F)(F)F)cs1 ZINC000544457455 1010081215 /nfs/dbraw/zinc/08/12/15/1010081215.db2.gz ZQRIJLGLSRVARS-LBPRGKRZSA-N 1 2 414.409 3.700 20 5 HHBDLO Cc1ccc(NC(=O)[C@H]([NH2+]C(C)(C)c2cnn(C)c2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000545293678 1010718758 /nfs/dbraw/zinc/71/87/58/1010718758.db2.gz ZOOYVGMEFOYNNK-HXUWFJFHSA-N 1 2 407.474 3.841 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000548749116 1010722097 /nfs/dbraw/zinc/72/20/97/1010722097.db2.gz BPEXPVHCUPEJDR-MJGOQNOKSA-N 1 2 420.872 3.674 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000548749116 1010722101 /nfs/dbraw/zinc/72/21/01/1010722101.db2.gz BPEXPVHCUPEJDR-MJGOQNOKSA-N 1 2 420.872 3.674 20 5 HHBDLO C[C@H](Nc1ccc(C(=O)NCCCNc2cccc[nH+]2)cc1[N+](=O)[O-])c1ccccn1 ZINC000522866705 1011307756 /nfs/dbraw/zinc/30/77/56/1011307756.db2.gz OOPSTAZNELDFTD-INIZCTEOSA-N 1 2 420.473 3.790 20 5 HHBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccccc1-n1cc[nH+]c1 ZINC000541437657 1012192983 /nfs/dbraw/zinc/19/29/83/1012192983.db2.gz DABPMZNXTGVIOW-UHFFFAOYSA-N 1 2 402.863 3.842 20 5 HHBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2S(=O)(=O)N2CCCCC2)c(Cl)c1 ZINC000541540582 1012324379 /nfs/dbraw/zinc/32/43/79/1012324379.db2.gz JJZOFCNFLZSFJX-UHFFFAOYSA-N 1 2 423.922 3.713 20 5 HHBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)cc1C ZINC000537031743 1012345271 /nfs/dbraw/zinc/34/52/71/1012345271.db2.gz FDTQIDQBRQWGPD-UHFFFAOYSA-N 1 2 403.504 3.649 20 5 HHBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)cc1C ZINC000537031743 1012345288 /nfs/dbraw/zinc/34/52/88/1012345288.db2.gz FDTQIDQBRQWGPD-UHFFFAOYSA-N 1 2 403.504 3.649 20 5 HHBDLO Cc1nn(CCC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)c(C)c1[N+](=O)[O-] ZINC000552529530 1012546671 /nfs/dbraw/zinc/54/66/71/1012546671.db2.gz QSPLIWVWVYUDDA-UHFFFAOYSA-N 1 2 408.462 3.637 20 5 HHBDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CCCC2)no1 ZINC000524059383 1012815038 /nfs/dbraw/zinc/81/50/38/1012815038.db2.gz OBERGYSRORGJDV-UHFFFAOYSA-N 1 2 421.885 3.672 20 5 HHBDLO COc1cc(-c2noc(-c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)n2)cc(OC)c1OC ZINC000904672536 1071848439 /nfs/dbraw/zinc/84/84/39/1071848439.db2.gz FDUPWGUUJJCLPS-UHFFFAOYSA-N 1 2 423.385 3.523 20 5 HHBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000554987336 1073030453 /nfs/dbraw/zinc/03/04/53/1073030453.db2.gz GGAURPFXEUJACT-UHFFFAOYSA-N 1 2 407.474 3.662 20 5 HHBDLO Cc1nn(C)c(C)c1[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000760760185 1073396734 /nfs/dbraw/zinc/39/67/34/1073396734.db2.gz YSPVGUAOQAHPFD-MRXNPFEDSA-N 1 2 423.351 3.591 20 5 HHBDLO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000760843185 1074422801 /nfs/dbraw/zinc/42/28/01/1074422801.db2.gz LNPSUGUWZUAYSB-QGZVFWFLSA-N 1 2 402.451 3.691 20 5 HHBDLO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000760843185 1074422806 /nfs/dbraw/zinc/42/28/06/1074422806.db2.gz LNPSUGUWZUAYSB-QGZVFWFLSA-N 1 2 402.451 3.691 20 5 HHBDLO Cc1cc(N2CC[NH+]([C@@H](C)c3ccc(Br)cc3)CC2)ncc1[N+](=O)[O-] ZINC000301449197 970933791 /nfs/dbraw/zinc/93/37/91/970933791.db2.gz SETPIJXKDSFQND-AWEZNQCLSA-N 1 2 405.296 3.944 20 5 HHBDLO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)c1c(F)cccc1F ZINC000301489994 970954102 /nfs/dbraw/zinc/95/41/02/970954102.db2.gz AHXMDPTYWSHQCD-ZDUSSCGKSA-N 1 2 401.211 3.745 20 5 HHBDLO C[C@H](c1ccccc1)[NH+]1CCC(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000301933517 971122200 /nfs/dbraw/zinc/12/22/00/971122200.db2.gz NOEUPALUOZYQHD-CYBMUJFWSA-N 1 2 409.533 3.697 20 5 HHBDLO C[C@@H]1C[C@@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000301935782 971123894 /nfs/dbraw/zinc/12/38/94/971123894.db2.gz PNFRNXWJKMZHKB-HIFRSBDPSA-N 1 2 409.533 3.525 20 5 HHBDLO C[C@@H]1C[C@@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000301935782 971123895 /nfs/dbraw/zinc/12/38/95/971123895.db2.gz PNFRNXWJKMZHKB-HIFRSBDPSA-N 1 2 409.533 3.525 20 5 HHBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000302941626 971408006 /nfs/dbraw/zinc/40/80/06/971408006.db2.gz HYOSNXDGBDVENJ-HNNXBMFYSA-N 1 2 402.882 3.788 20 5 HHBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCN(c2ccccc2)CC1 ZINC000302941626 971408027 /nfs/dbraw/zinc/40/80/27/971408027.db2.gz HYOSNXDGBDVENJ-HNNXBMFYSA-N 1 2 402.882 3.788 20 5 HHBDLO O=C(Nc1nnc(Cc2ccccc2F)s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000303248265 971578425 /nfs/dbraw/zinc/57/84/25/971578425.db2.gz BDUHMROHEJCDQW-UHFFFAOYSA-N 1 2 424.417 3.614 20 5 HHBDLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000303761178 972010576 /nfs/dbraw/zinc/01/05/76/972010576.db2.gz OKKOFQFJNBAHIP-INIZCTEOSA-N 1 2 410.405 3.879 20 5 HHBDLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000303761178 972010584 /nfs/dbraw/zinc/01/05/84/972010584.db2.gz OKKOFQFJNBAHIP-INIZCTEOSA-N 1 2 410.405 3.879 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000542455069 1013402498 /nfs/dbraw/zinc/40/24/98/1013402498.db2.gz ONIWLQVCFUGJDG-PZJWPPBQSA-N 1 2 421.457 3.528 20 5 HHBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](Oc4ccc(C(F)(F)F)cn4)C3)nc2c1 ZINC000537854024 1013422698 /nfs/dbraw/zinc/42/26/98/1013422698.db2.gz MXPRIZPMLKOTHN-ZDUSSCGKSA-N 1 2 408.336 3.803 20 5 HHBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](Oc4ccc(C(F)(F)F)cn4)C3)nc2c1 ZINC000537854024 1013422709 /nfs/dbraw/zinc/42/27/09/1013422709.db2.gz MXPRIZPMLKOTHN-ZDUSSCGKSA-N 1 2 408.336 3.803 20 5 HHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000049637162 964186437 /nfs/dbraw/zinc/18/64/37/964186437.db2.gz FWTOONNNXRDOMG-UHFFFAOYSA-N 1 2 406.320 3.974 20 5 HHBDLO CC[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nc(C(F)(F)F)cs1 ZINC000542564938 1013506754 /nfs/dbraw/zinc/50/67/54/1013506754.db2.gz DZHKZIDGMYKBLX-STQMWFEESA-N 1 2 414.409 3.916 20 5 HHBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051380220 964552421 /nfs/dbraw/zinc/55/24/21/964552421.db2.gz CLQNMKDORSEQFP-UHFFFAOYSA-N 1 2 405.439 3.834 20 5 HHBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000027477450 964905942 /nfs/dbraw/zinc/90/59/42/964905942.db2.gz POXNZJVAXHLDFZ-INIZCTEOSA-N 1 2 410.499 3.679 20 5 HHBDLO O=C(c1cccc(C(F)(F)F)c1)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052900842 965015256 /nfs/dbraw/zinc/01/52/56/965015256.db2.gz YYNBVPAVCQPIIH-UHFFFAOYSA-N 1 2 407.392 3.614 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000053370800 965147698 /nfs/dbraw/zinc/14/76/98/965147698.db2.gz TYCUARSKJLYLLE-LJQANCHMSA-N 1 2 403.866 3.959 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000053370800 965147705 /nfs/dbraw/zinc/14/77/05/965147705.db2.gz TYCUARSKJLYLLE-LJQANCHMSA-N 1 2 403.866 3.959 20 5 HHBDLO CC(C)NC(=O)c1ccc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000028740600 965174968 /nfs/dbraw/zinc/17/49/68/965174968.db2.gz AIHSDGKFJUCHSY-UHFFFAOYSA-N 1 2 416.909 3.709 20 5 HHBDLO O=C(Nc1ccc(F)cc1OCC(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000537996689 1013571950 /nfs/dbraw/zinc/57/19/50/1013571950.db2.gz XGQHXWAHIDDHGI-UHFFFAOYSA-N 1 2 406.320 3.816 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538023273 1013593775 /nfs/dbraw/zinc/59/37/75/1013593775.db2.gz YZCRPRNFNLVGEK-MSOLQXFVSA-N 1 2 406.845 3.656 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538023273 1013593779 /nfs/dbraw/zinc/59/37/79/1013593779.db2.gz YZCRPRNFNLVGEK-MSOLQXFVSA-N 1 2 406.845 3.656 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538026004 1013597525 /nfs/dbraw/zinc/59/75/25/1013597525.db2.gz RVVCJMKIWZECGL-ICSRJNTNSA-N 1 2 421.856 3.718 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538026004 1013597534 /nfs/dbraw/zinc/59/75/34/1013597534.db2.gz RVVCJMKIWZECGL-ICSRJNTNSA-N 1 2 421.856 3.718 20 5 HHBDLO O=C(NCc1cc(Br)ccc1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000058700569 965850637 /nfs/dbraw/zinc/85/06/37/965850637.db2.gz AEAYQSQUJVBUOT-UHFFFAOYSA-N 1 2 419.210 3.612 20 5 HHBDLO CCOc1ccc(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1OCC ZINC000032036052 966180238 /nfs/dbraw/zinc/18/02/38/966180238.db2.gz HUUHAAHNIORELF-UHFFFAOYSA-N 1 2 424.457 3.550 20 5 HHBDLO O=C(NCc1ccc(Br)s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032164169 966198484 /nfs/dbraw/zinc/19/84/84/966198484.db2.gz PDMGIDCZSMMWRM-UHFFFAOYSA-N 1 2 407.249 3.535 20 5 HHBDLO O=C(NCCc1ccc(Br)s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000033239805 966402415 /nfs/dbraw/zinc/40/24/15/966402415.db2.gz PQSZTQPDKAEKJH-UHFFFAOYSA-N 1 2 421.276 3.577 20 5 HHBDLO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1Cl ZINC000064243771 967104220 /nfs/dbraw/zinc/10/42/20/967104220.db2.gz PEJUDSGFAGEQQW-AWEZNQCLSA-N 1 2 417.940 3.671 20 5 HHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)cc1OC ZINC000542914766 1013754075 /nfs/dbraw/zinc/75/40/75/1013754075.db2.gz GSLGILPVOZENCM-AEFFLSMTSA-N 1 2 419.522 3.615 20 5 HHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](N3CCCC3=O)C2)cc1OC ZINC000542914766 1013754081 /nfs/dbraw/zinc/75/40/81/1013754081.db2.gz GSLGILPVOZENCM-AEFFLSMTSA-N 1 2 419.522 3.615 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000047406646 968178440 /nfs/dbraw/zinc/17/84/40/968178440.db2.gz GKGYUPRMTOQOFP-QGZVFWFLSA-N 1 2 408.414 3.753 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000047406646 968178445 /nfs/dbraw/zinc/17/84/45/968178445.db2.gz GKGYUPRMTOQOFP-QGZVFWFLSA-N 1 2 408.414 3.753 20 5 HHBDLO O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000538263444 1013804479 /nfs/dbraw/zinc/80/44/79/1013804479.db2.gz VDWSRAUSQHRDJO-VQIMIIECSA-N 1 2 412.833 3.694 20 5 HHBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H](C)O1 ZINC000065734626 968618050 /nfs/dbraw/zinc/61/80/50/968618050.db2.gz VYSGGYABLWFYOQ-CALCHBBNSA-N 1 2 422.485 3.797 20 5 HHBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H](C)O1 ZINC000065734626 968618055 /nfs/dbraw/zinc/61/80/55/968618055.db2.gz VYSGGYABLWFYOQ-CALCHBBNSA-N 1 2 422.485 3.797 20 5 HHBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000538272909 1013812693 /nfs/dbraw/zinc/81/26/93/1013812693.db2.gz VOYYWPVUMKFSQK-OAHLLOKOSA-N 1 2 410.449 3.663 20 5 HHBDLO CC(C)[N@H+](CC(=O)N1c2ccccc2NC(=O)C1(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000140801981 970087262 /nfs/dbraw/zinc/08/72/62/970087262.db2.gz UUBGBXMFVFRMAY-UHFFFAOYSA-N 1 2 410.474 3.569 20 5 HHBDLO CC(C)[N@@H+](CC(=O)N1c2ccccc2NC(=O)C1(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000140801981 970087267 /nfs/dbraw/zinc/08/72/67/970087267.db2.gz UUBGBXMFVFRMAY-UHFFFAOYSA-N 1 2 410.474 3.569 20 5 HHBDLO CCOc1ccc(NC(=O)C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000237051929 970214837 /nfs/dbraw/zinc/21/48/37/970214837.db2.gz IUYDHOXFDWGBDD-UHFFFAOYSA-N 1 2 412.471 3.845 20 5 HHBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000410254027 973763667 /nfs/dbraw/zinc/76/36/67/973763667.db2.gz DUCAVOOGYKELHX-AWEZNQCLSA-N 1 2 400.504 3.869 20 5 HHBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000410306153 973846273 /nfs/dbraw/zinc/84/62/73/973846273.db2.gz MCCGPSJKNKUHCG-UHFFFAOYSA-N 1 2 407.474 3.641 20 5 HHBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000425996627 974111232 /nfs/dbraw/zinc/11/12/32/974111232.db2.gz RLALXXRZGVXGOB-NHCUHLMSSA-N 1 2 405.458 3.562 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000427027658 974837993 /nfs/dbraw/zinc/83/79/93/974837993.db2.gz JONCOYZUHAWVIC-FUHWJXTLSA-N 1 2 407.829 3.571 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000427027658 974837998 /nfs/dbraw/zinc/83/79/98/974837998.db2.gz JONCOYZUHAWVIC-FUHWJXTLSA-N 1 2 407.829 3.571 20 5 HHBDLO C[C@]12CC[N@H+](Cc3cc(I)cc([N+](=O)[O-])c3)C[C@H]1C2(F)F ZINC000428713997 976003514 /nfs/dbraw/zinc/00/35/14/976003514.db2.gz XQCOEEYNXFGREO-OLZOCXBDSA-N 1 2 408.186 3.677 20 5 HHBDLO C[C@]12CC[N@@H+](Cc3cc(I)cc([N+](=O)[O-])c3)C[C@H]1C2(F)F ZINC000428713997 976003525 /nfs/dbraw/zinc/00/35/25/976003525.db2.gz XQCOEEYNXFGREO-OLZOCXBDSA-N 1 2 408.186 3.677 20 5 HHBDLO Cc1cc(F)ccc1C1CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000428720014 976008489 /nfs/dbraw/zinc/00/84/89/976008489.db2.gz QNONWCSBFIYQIQ-UHFFFAOYSA-N 1 2 406.479 3.696 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000430195251 977385196 /nfs/dbraw/zinc/38/51/96/977385196.db2.gz NWEMOBROXOUTAP-UHFFFAOYSA-N 1 2 418.881 3.997 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000430195251 977385204 /nfs/dbraw/zinc/38/52/04/977385204.db2.gz NWEMOBROXOUTAP-UHFFFAOYSA-N 1 2 418.881 3.997 20 5 HHBDLO Cc1cc(OCC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000432198725 978710272 /nfs/dbraw/zinc/71/02/72/978710272.db2.gz PRPVEGMIBONDRQ-FXAWDEMLSA-N 1 2 421.856 3.636 20 5 HHBDLO Cc1cc(OCC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000432198725 978710275 /nfs/dbraw/zinc/71/02/75/978710275.db2.gz PRPVEGMIBONDRQ-FXAWDEMLSA-N 1 2 421.856 3.636 20 5 HHBDLO Cc1cc(OCC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000432198726 978710315 /nfs/dbraw/zinc/71/03/15/978710315.db2.gz PRPVEGMIBONDRQ-PXNSSMCTSA-N 1 2 421.856 3.636 20 5 HHBDLO Cc1cc(OCC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000432198726 978710319 /nfs/dbraw/zinc/71/03/19/978710319.db2.gz PRPVEGMIBONDRQ-PXNSSMCTSA-N 1 2 421.856 3.636 20 5 HHBDLO O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000434040822 979779066 /nfs/dbraw/zinc/77/90/66/979779066.db2.gz IHCWNTQSZDDSKY-HXUWFJFHSA-N 1 2 419.437 3.862 20 5 HHBDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000436160253 981227027 /nfs/dbraw/zinc/22/70/27/981227027.db2.gz KMLFHDDNHCNVBR-UHFFFAOYSA-N 1 2 420.425 3.818 20 5 HHBDLO O=C(c1ccc(O)cc1)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000436694143 981517088 /nfs/dbraw/zinc/51/70/88/981517088.db2.gz GGQAVLABMVEABZ-UHFFFAOYSA-N 1 2 423.494 3.987 20 5 HHBDLO CO[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000460294896 982071546 /nfs/dbraw/zinc/07/15/46/982071546.db2.gz CXTYBACCFFATJC-GOSISDBHSA-N 1 2 400.822 3.551 20 5 HHBDLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCCO1 ZINC000439467737 983422648 /nfs/dbraw/zinc/42/26/48/983422648.db2.gz JPUXICJANIQSGF-BBRMVZONSA-N 1 2 404.492 3.546 20 5 HHBDLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCCO1 ZINC000439467737 983422651 /nfs/dbraw/zinc/42/26/51/983422651.db2.gz JPUXICJANIQSGF-BBRMVZONSA-N 1 2 404.492 3.546 20 5 HHBDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCCO1 ZINC000439468045 983422701 /nfs/dbraw/zinc/42/27/01/983422701.db2.gz JPUXICJANIQSGF-CZUORRHYSA-N 1 2 404.492 3.546 20 5 HHBDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCCO1 ZINC000439468045 983422706 /nfs/dbraw/zinc/42/27/06/983422706.db2.gz JPUXICJANIQSGF-CZUORRHYSA-N 1 2 404.492 3.546 20 5 HHBDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000439788156 983539574 /nfs/dbraw/zinc/53/95/74/983539574.db2.gz LSEKDQWBICPJGV-KSFYIVLOSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000439788156 983539578 /nfs/dbraw/zinc/53/95/78/983539578.db2.gz LSEKDQWBICPJGV-KSFYIVLOSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000439787863 983539706 /nfs/dbraw/zinc/53/97/06/983539706.db2.gz LFKBGJMYHLIHPH-OPAMFIHVSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000439787863 983539713 /nfs/dbraw/zinc/53/97/13/983539713.db2.gz LFKBGJMYHLIHPH-OPAMFIHVSA-N 1 2 410.518 3.979 20 5 HHBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c(C)c1 ZINC000441469249 984267839 /nfs/dbraw/zinc/26/78/39/984267839.db2.gz DKHIYQYOVASSSI-NRFANRHFSA-N 1 2 417.469 3.921 20 5 HHBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(C)c1 ZINC000441929094 984546346 /nfs/dbraw/zinc/54/63/46/984546346.db2.gz HGXQLCADODPUCP-IBGZPJMESA-N 1 2 404.430 4.312 20 5 HHBDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442735802 985194293 /nfs/dbraw/zinc/19/42/93/985194293.db2.gz ZRJAOKAMCGNHOC-UHFFFAOYSA-N 1 2 415.515 3.587 20 5 HHBDLO CC1(C)COCC[N@H+]1CCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442735802 985194303 /nfs/dbraw/zinc/19/43/03/985194303.db2.gz ZRJAOKAMCGNHOC-UHFFFAOYSA-N 1 2 415.515 3.587 20 5 HHBDLO O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000442935467 985289071 /nfs/dbraw/zinc/28/90/71/985289071.db2.gz SULSFGLPKUIGJQ-NHCUHLMSSA-N 1 2 422.441 3.715 20 5 HHBDLO O=[N+]([O-])c1ccc(N2CC[C@@H](CNc3cccc[nH+]3)C2)nc1OCc1ccccc1 ZINC000462487239 985441534 /nfs/dbraw/zinc/44/15/34/985441534.db2.gz SVISXEHGSFIYKJ-SFHVURJKSA-N 1 2 405.458 3.902 20 5 HHBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000462722021 985668507 /nfs/dbraw/zinc/66/85/07/985668507.db2.gz OGPMXMHKWUDQTE-AWEZNQCLSA-N 1 2 422.938 3.941 20 5 HHBDLO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)[NH+]2CCOCC2)cc1 ZINC000462788105 985723351 /nfs/dbraw/zinc/72/33/51/985723351.db2.gz FEQZEGZIONLQKD-SFHVURJKSA-N 1 2 407.417 3.990 20 5 HHBDLO COc1ccc(F)cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000462918153 985851431 /nfs/dbraw/zinc/85/14/31/985851431.db2.gz ACMVBKHAMKDHDF-UHFFFAOYSA-N 1 2 411.380 3.666 20 5 HHBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1OC ZINC000463035173 985994292 /nfs/dbraw/zinc/99/42/92/985994292.db2.gz HSBVTKWZOBITLU-CQSZACIVSA-N 1 2 419.503 3.583 20 5 HHBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1OC ZINC000463035172 985994832 /nfs/dbraw/zinc/99/48/32/985994832.db2.gz HSBVTKWZOBITLU-AWEZNQCLSA-N 1 2 419.503 3.583 20 5 HHBDLO CS(=O)(=O)C[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000463052620 986010555 /nfs/dbraw/zinc/01/05/55/986010555.db2.gz LBLODOSUSREATH-IBGZPJMESA-N 1 2 400.456 3.730 20 5 HHBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000463098813 986057714 /nfs/dbraw/zinc/05/77/14/986057714.db2.gz MPSKAHODNPPRPG-INIZCTEOSA-N 1 2 414.531 3.776 20 5 HHBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000463436532 986412713 /nfs/dbraw/zinc/41/27/13/986412713.db2.gz AXVAPPFESQBJDC-RXVVDRJESA-N 1 2 405.458 3.727 20 5 HHBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000463436532 986412715 /nfs/dbraw/zinc/41/27/15/986412715.db2.gz AXVAPPFESQBJDC-RXVVDRJESA-N 1 2 405.458 3.727 20 5 HHBDLO O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000444230029 986416448 /nfs/dbraw/zinc/41/64/48/986416448.db2.gz XGSRRDWZIXTMED-INIZCTEOSA-N 1 2 421.403 3.648 20 5 HHBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000468975179 986679786 /nfs/dbraw/zinc/67/97/86/986679786.db2.gz KZDGDDKMDJTMMS-UHFFFAOYSA-N 1 2 407.474 3.558 20 5 HHBDLO CC(C)CO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000469281746 987000639 /nfs/dbraw/zinc/00/06/39/987000639.db2.gz NLKZSFJXDILSFZ-YOEHRIQHSA-N 1 2 418.519 3.792 20 5 HHBDLO CC(C)CO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000469281746 987000646 /nfs/dbraw/zinc/00/06/46/987000646.db2.gz NLKZSFJXDILSFZ-YOEHRIQHSA-N 1 2 418.519 3.792 20 5 HHBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444863964 987020166 /nfs/dbraw/zinc/02/01/66/987020166.db2.gz ZXCFVVYISBRIIE-UHFFFAOYSA-N 1 2 408.461 3.856 20 5 HHBDLO CC(C)(C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000469358136 987059161 /nfs/dbraw/zinc/05/91/61/987059161.db2.gz RWAFGESQBOVLQT-UHFFFAOYSA-N 1 2 414.481 3.951 20 5 HHBDLO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)cc2[N+](=O)[O-])C1 ZINC000469437242 987123378 /nfs/dbraw/zinc/12/33/78/987123378.db2.gz WLDUYNARUMHVCC-QKLQHJQFSA-N 1 2 424.501 3.766 20 5 HHBDLO COc1ccc([N+](=O)[O-])c(Cc2noc(/C=C\c3ccc(-n4cc[nH+]c4)cc3)n2)c1 ZINC000445579130 987644374 /nfs/dbraw/zinc/64/43/74/987644374.db2.gz LCJDAPCMTHNCCX-WTKPLQERSA-N 1 2 403.398 3.933 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nc(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)cs2)cc1 ZINC000445814764 987876379 /nfs/dbraw/zinc/87/63/79/987876379.db2.gz CAFJXZGHMQABGW-GOEBONIOSA-N 1 2 413.459 3.694 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nc(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)cs2)cc1 ZINC000445814764 987876384 /nfs/dbraw/zinc/87/63/84/987876384.db2.gz CAFJXZGHMQABGW-GOEBONIOSA-N 1 2 413.459 3.694 20 5 HHBDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000470151529 988060743 /nfs/dbraw/zinc/06/07/43/988060743.db2.gz IOOXADIDOOCHSV-QZTJIDSGSA-N 1 2 422.844 3.581 20 5 HHBDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000470151529 988060755 /nfs/dbraw/zinc/06/07/55/988060755.db2.gz IOOXADIDOOCHSV-QZTJIDSGSA-N 1 2 422.844 3.581 20 5 HHBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000470170255 988085172 /nfs/dbraw/zinc/08/51/72/988085172.db2.gz RCKKEEMNNGFTDN-LGMDPLHJSA-N 1 2 404.470 3.937 20 5 HHBDLO CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cs1 ZINC000463979683 988091336 /nfs/dbraw/zinc/09/13/36/988091336.db2.gz IFYHUWBIULBGRO-ZDUSSCGKSA-N 1 2 415.475 3.607 20 5 HHBDLO Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000470263903 988211799 /nfs/dbraw/zinc/21/17/99/988211799.db2.gz MQGDUVJNSHRQAF-GHTZIAJQSA-N 1 2 406.442 3.739 20 5 HHBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000464531679 988710465 /nfs/dbraw/zinc/71/04/65/988710465.db2.gz WBBQWLKEDOABOK-INIZCTEOSA-N 1 2 415.515 3.539 20 5 HHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000470917135 988992640 /nfs/dbraw/zinc/99/26/40/988992640.db2.gz DQCUKUVJMGOVOB-WBVHZDCISA-N 1 2 401.438 3.742 20 5 HHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000470917135 988992666 /nfs/dbraw/zinc/99/26/66/988992666.db2.gz DQCUKUVJMGOVOB-WBVHZDCISA-N 1 2 401.438 3.742 20 5 HHBDLO COC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000464825844 989063903 /nfs/dbraw/zinc/06/39/03/989063903.db2.gz YHMPTUKKDYRDLU-NRFANRHFSA-N 1 2 407.426 3.565 20 5 HHBDLO COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000464825844 989063908 /nfs/dbraw/zinc/06/39/08/989063908.db2.gz YHMPTUKKDYRDLU-NRFANRHFSA-N 1 2 407.426 3.565 20 5 HHBDLO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)o1 ZINC000464836498 989079445 /nfs/dbraw/zinc/07/94/45/989079445.db2.gz SDPKSFHPJMZLMG-MLGOLLRUSA-N 1 2 401.419 3.637 20 5 HHBDLO Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)o1 ZINC000464836498 989079452 /nfs/dbraw/zinc/07/94/52/989079452.db2.gz SDPKSFHPJMZLMG-MLGOLLRUSA-N 1 2 401.419 3.637 20 5 HHBDLO Cc1ccc(OC(F)F)c(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000465044026 989369447 /nfs/dbraw/zinc/36/94/47/989369447.db2.gz RIXQDGRAGTUNPJ-UHFFFAOYSA-N 1 2 402.357 3.620 20 5 HHBDLO CCc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000471891359 990064718 /nfs/dbraw/zinc/06/47/18/990064718.db2.gz XWWQKOOOYHNSRS-GOSISDBHSA-N 1 2 411.502 3.520 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466593968 991910042 /nfs/dbraw/zinc/91/00/42/991910042.db2.gz VQANRSNCVGZMDQ-UHFFFAOYSA-N 1 2 403.870 3.633 20 5 HHBDLO C[NH+](C)Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl ZINC000481871439 994734342 /nfs/dbraw/zinc/73/43/42/994734342.db2.gz RWKKOXQGGBSGHW-UHFFFAOYSA-N 1 2 404.275 3.764 20 5 HHBDLO O=C(c1cscn1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000482758369 995729069 /nfs/dbraw/zinc/72/90/69/995729069.db2.gz ZQJGBNHOXGTYQB-UHFFFAOYSA-N 1 2 414.512 3.738 20 5 HHBDLO COC(=O)COc1ccc(C[N@H+]2CC=C(c3c(F)cccc3F)CC2)cc1[N+](=O)[O-] ZINC000475086684 995912964 /nfs/dbraw/zinc/91/29/64/995912964.db2.gz IKJZTEKTIAOGSP-UHFFFAOYSA-N 1 2 418.396 3.714 20 5 HHBDLO COC(=O)COc1ccc(C[N@@H+]2CC=C(c3c(F)cccc3F)CC2)cc1[N+](=O)[O-] ZINC000475086684 995912974 /nfs/dbraw/zinc/91/29/74/995912974.db2.gz IKJZTEKTIAOGSP-UHFFFAOYSA-N 1 2 418.396 3.714 20 5 HHBDLO CCOc1cc(N2CC[NH+](Cc3ccnn3-c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000475502714 996185170 /nfs/dbraw/zinc/18/51/70/996185170.db2.gz PIHMKCWPKTYJSZ-UHFFFAOYSA-N 1 2 407.474 3.501 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@H](COc4ccccc4)C3)o2)c1 ZINC000484541862 996874365 /nfs/dbraw/zinc/87/43/65/996874365.db2.gz PTNGREIOYCEHFF-FQEVSTJZSA-N 1 2 409.442 3.572 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@H](COc4ccccc4)C3)o2)c1 ZINC000484541862 996874374 /nfs/dbraw/zinc/87/43/74/996874374.db2.gz PTNGREIOYCEHFF-FQEVSTJZSA-N 1 2 409.442 3.572 20 5 HHBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000484746536 997090209 /nfs/dbraw/zinc/09/02/09/997090209.db2.gz IGGXAOCJRJVJSI-FQEVSTJZSA-N 1 2 422.510 3.889 20 5 HHBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000484746536 997090224 /nfs/dbraw/zinc/09/02/24/997090224.db2.gz IGGXAOCJRJVJSI-FQEVSTJZSA-N 1 2 422.510 3.889 20 5 HHBDLO Cc1cccc(NC(=O)CN2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1C ZINC000485708892 998175148 /nfs/dbraw/zinc/17/51/48/998175148.db2.gz NWLKAIMMDXRMOL-LJQANCHMSA-N 1 2 410.518 3.837 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000485710496 998177190 /nfs/dbraw/zinc/17/71/90/998177190.db2.gz SWNKQESPUDBXSB-KRWDZBQOSA-N 1 2 406.486 3.832 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000485723493 998193977 /nfs/dbraw/zinc/19/39/77/998193977.db2.gz OUQQHBLIDFTHEX-RBUKOAKNSA-N 1 2 403.429 3.712 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000485723493 998193984 /nfs/dbraw/zinc/19/39/84/998193984.db2.gz OUQQHBLIDFTHEX-RBUKOAKNSA-N 1 2 403.429 3.712 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485747901 998218994 /nfs/dbraw/zinc/21/89/94/998218994.db2.gz DWOVBPCMPMKGDM-KXBFYZLASA-N 1 2 400.385 3.530 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485747901 998219000 /nfs/dbraw/zinc/21/90/00/998219000.db2.gz DWOVBPCMPMKGDM-KXBFYZLASA-N 1 2 400.385 3.530 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000485747899 998219417 /nfs/dbraw/zinc/21/94/17/998219417.db2.gz DWOVBPCMPMKGDM-DNVCBOLYSA-N 1 2 400.385 3.530 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000485747899 998219426 /nfs/dbraw/zinc/21/94/26/998219426.db2.gz DWOVBPCMPMKGDM-DNVCBOLYSA-N 1 2 400.385 3.530 20 5 HHBDLO C[N@@H+]1CC[C@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485994470 998437901 /nfs/dbraw/zinc/43/79/01/998437901.db2.gz PPMFSKOBGBBGDG-IRXDYDNUSA-N 1 2 401.373 3.780 20 5 HHBDLO C[N@H+]1CC[C@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485994470 998437905 /nfs/dbraw/zinc/43/79/05/998437905.db2.gz PPMFSKOBGBBGDG-IRXDYDNUSA-N 1 2 401.373 3.780 20 5 HHBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H](C)O1 ZINC000486011170 998455860 /nfs/dbraw/zinc/45/58/60/998455860.db2.gz BAQAPJAEZKGRRV-HUUCEWRRSA-N 1 2 408.458 3.938 20 5 HHBDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n(-c2ccccc2C)n1 ZINC000486377419 998735577 /nfs/dbraw/zinc/73/55/77/998735577.db2.gz YUECBJDHCAAERC-UHFFFAOYSA-N 1 2 402.414 3.835 20 5 HHBDLO O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000478404757 998940119 /nfs/dbraw/zinc/94/01/19/998940119.db2.gz IHVUYUCXUHTYOD-OAHLLOKOSA-N 1 2 412.277 3.591 20 5 HHBDLO O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000478404757 998940124 /nfs/dbraw/zinc/94/01/24/998940124.db2.gz IHVUYUCXUHTYOD-OAHLLOKOSA-N 1 2 412.277 3.591 20 5 HHBDLO O=C(N[C@@H](CO)c1c(Cl)cccc1Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000478443805 998961893 /nfs/dbraw/zinc/96/18/93/998961893.db2.gz INKHUQHPCSZROU-AWEZNQCLSA-N 1 2 421.240 3.551 20 5 HHBDLO Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000487476039 999191210 /nfs/dbraw/zinc/19/12/10/999191210.db2.gz PRHQYJSMLWQICF-UHFFFAOYSA-N 1 2 424.367 3.712 20 5 HHBDLO C[C@H](CF)[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000487876061 999301656 /nfs/dbraw/zinc/30/16/56/999301656.db2.gz IDQQPFUGNMWANE-BDJLRTHQSA-N 1 2 410.243 3.985 20 5 HHBDLO Cc1ccc([C@@H](C)NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000488044540 999357606 /nfs/dbraw/zinc/35/76/06/999357606.db2.gz QBYYGXSNYWSVRI-MRXNPFEDSA-N 1 2 421.457 3.620 20 5 HHBDLO Cc1c(C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)cccc1[N+](=O)[O-] ZINC000479452165 999423737 /nfs/dbraw/zinc/42/37/37/999423737.db2.gz IFANEYVZGGPJRB-SNVBAGLBSA-N 1 2 418.302 3.708 20 5 HHBDLO Cc1c(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000479753794 999573205 /nfs/dbraw/zinc/57/32/05/999573205.db2.gz UBDCMYSGCYKFTP-MJGOQNOKSA-N 1 2 420.872 3.940 20 5 HHBDLO Cc1c(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000479753794 999573210 /nfs/dbraw/zinc/57/32/10/999573210.db2.gz UBDCMYSGCYKFTP-MJGOQNOKSA-N 1 2 420.872 3.940 20 5 HHBDLO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488784211 999606388 /nfs/dbraw/zinc/60/63/88/999606388.db2.gz OTYSQLPFMJXRGI-LLVKDONJSA-N 1 2 412.277 3.762 20 5 HHBDLO COc1cccc(C([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c2cccc(OC)c2)c1 ZINC000480330893 999773038 /nfs/dbraw/zinc/77/30/38/999773038.db2.gz FRDQLOBAULIROP-UHFFFAOYSA-N 1 2 421.453 3.590 20 5 HHBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489832538 999845950 /nfs/dbraw/zinc/84/59/50/999845950.db2.gz DUBIQIQDYGFGLK-UHFFFAOYSA-N 1 2 405.458 3.714 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000489932081 999865268 /nfs/dbraw/zinc/86/52/68/999865268.db2.gz ZEDURNILRLDBGI-IEBWSBKVSA-N 1 2 418.444 3.853 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000489932081 999865270 /nfs/dbraw/zinc/86/52/70/999865270.db2.gz ZEDURNILRLDBGI-IEBWSBKVSA-N 1 2 418.444 3.853 20 5 HHBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N(Cc1ccco1)CC(F)(F)F ZINC000490021994 999879288 /nfs/dbraw/zinc/87/92/88/999879288.db2.gz FFBPOUQDANRUOL-UHFFFAOYSA-N 1 2 411.380 3.743 20 5 HHBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N(Cc1ccco1)CC(F)(F)F ZINC000490021994 999879289 /nfs/dbraw/zinc/87/92/89/999879289.db2.gz FFBPOUQDANRUOL-UHFFFAOYSA-N 1 2 411.380 3.743 20 5 HHBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N[C@H](c1nccs1)c1ccccc1 ZINC000490052265 999885615 /nfs/dbraw/zinc/88/56/15/999885615.db2.gz FJUQUDMSPGVYOK-NRFANRHFSA-N 1 2 422.510 3.922 20 5 HHBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N[C@H](c1nccs1)c1ccccc1 ZINC000490052265 999885617 /nfs/dbraw/zinc/88/56/17/999885617.db2.gz FJUQUDMSPGVYOK-NRFANRHFSA-N 1 2 422.510 3.922 20 5 HHBDLO O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000490401527 999951868 /nfs/dbraw/zinc/95/18/68/999951868.db2.gz SPGRHIRGIWIDJY-UHFFFAOYSA-N 1 2 406.446 3.618 20 5 HHBDLO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1OC ZINC000490545678 999975342 /nfs/dbraw/zinc/97/53/42/999975342.db2.gz OWQQZVYFGWQYSG-UHFFFAOYSA-N 1 2 400.366 3.579 20 5 HHBDLO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000490547995 999975710 /nfs/dbraw/zinc/97/57/10/999975710.db2.gz UKSKMDFHGLRNMX-FQEVSTJZSA-N 1 2 418.453 3.895 20 5 HHBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCc1ccc(OC(F)(F)F)cc1 ZINC000490826233 1000012533 /nfs/dbraw/zinc/01/25/33/1000012533.db2.gz XGTOXBCPNSWCBS-UHFFFAOYSA-N 1 2 423.391 3.774 20 5 HHBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCc1ccc(OC(F)(F)F)cc1 ZINC000490826233 1000012534 /nfs/dbraw/zinc/01/25/34/1000012534.db2.gz XGTOXBCPNSWCBS-UHFFFAOYSA-N 1 2 423.391 3.774 20 5 HHBDLO Cc1cc([C@@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CCO2)ccc1F ZINC000491231518 1000057101 /nfs/dbraw/zinc/05/71/01/1000057101.db2.gz GZHQZQGNVIADTN-FQEVSTJZSA-N 1 2 401.438 3.753 20 5 HHBDLO Cc1cc([C@@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CCO2)ccc1F ZINC000491231518 1000057102 /nfs/dbraw/zinc/05/71/02/1000057102.db2.gz GZHQZQGNVIADTN-FQEVSTJZSA-N 1 2 401.438 3.753 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000504831362 1000390621 /nfs/dbraw/zinc/39/06/21/1000390621.db2.gz MQWCSZABEXNXAG-OAHLLOKOSA-N 1 2 413.478 3.938 20 5 HHBDLO NC(=O)c1coc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1 ZINC000494472965 1000511083 /nfs/dbraw/zinc/51/10/83/1000511083.db2.gz YOSYXWGILNCYCY-UHFFFAOYSA-N 1 2 420.219 3.599 20 5 HHBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cc(SC)ccc3[N+](=O)[O-])CC2)c1 ZINC000505494247 1000822091 /nfs/dbraw/zinc/82/20/91/1000822091.db2.gz LVMCLCHKZOFEPS-OAHLLOKOSA-N 1 2 415.515 3.844 20 5 HHBDLO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505529993 1000876523 /nfs/dbraw/zinc/87/65/23/1000876523.db2.gz LUFAHMZHJAMLPF-KRWDZBQOSA-N 1 2 412.446 3.644 20 5 HHBDLO CC[N@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000505631562 1000944102 /nfs/dbraw/zinc/94/41/02/1000944102.db2.gz DAFXOEJPLDQRHT-VQHVLOKHSA-N 1 2 424.457 3.796 20 5 HHBDLO CC[N@@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000505631562 1000944108 /nfs/dbraw/zinc/94/41/08/1000944108.db2.gz DAFXOEJPLDQRHT-VQHVLOKHSA-N 1 2 424.457 3.796 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000497484088 1001392420 /nfs/dbraw/zinc/39/24/20/1001392420.db2.gz ATKDYGHVSJBLGR-MOPGFXCFSA-N 1 2 400.385 3.530 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000497484088 1001392423 /nfs/dbraw/zinc/39/24/23/1001392423.db2.gz ATKDYGHVSJBLGR-MOPGFXCFSA-N 1 2 400.385 3.530 20 5 HHBDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506743702 1001511372 /nfs/dbraw/zinc/51/13/72/1001511372.db2.gz NKMQLXKIULGLHZ-UHFFFAOYSA-N 1 2 407.474 3.683 20 5 HHBDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506743702 1001511373 /nfs/dbraw/zinc/51/13/73/1001511373.db2.gz NKMQLXKIULGLHZ-UHFFFAOYSA-N 1 2 407.474 3.683 20 5 HHBDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000508354306 1002853743 /nfs/dbraw/zinc/85/37/43/1002853743.db2.gz JADNQODFIUXZJF-UHFFFAOYSA-N 1 2 413.455 3.702 20 5 HHBDLO O=C(Nc1nc2cc(F)c(F)cc2s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000512054276 1003985797 /nfs/dbraw/zinc/98/57/97/1003985797.db2.gz BXDNPKUOVFTVDA-UHFFFAOYSA-N 1 2 401.354 3.921 20 5 HHBDLO O=C(Nc1ccc(NC2CCOCC2)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000513070405 1004791067 /nfs/dbraw/zinc/79/10/67/1004791067.db2.gz PCOHXSLJULYNQS-UHFFFAOYSA-N 1 2 407.430 3.624 20 5 HHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000502370414 1005040510 /nfs/dbraw/zinc/04/05/10/1005040510.db2.gz VWSDOESWCMCJMC-UZLBHIALSA-N 1 2 415.515 3.513 20 5 HHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000502370414 1005040518 /nfs/dbraw/zinc/04/05/18/1005040518.db2.gz VWSDOESWCMCJMC-UZLBHIALSA-N 1 2 415.515 3.513 20 5 HHBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000502744131 1005198440 /nfs/dbraw/zinc/19/84/40/1005198440.db2.gz GVPQNJCVFWFLCS-IBGZPJMESA-N 1 2 411.437 3.513 20 5 HHBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000502744131 1005198454 /nfs/dbraw/zinc/19/84/54/1005198454.db2.gz GVPQNJCVFWFLCS-IBGZPJMESA-N 1 2 411.437 3.513 20 5 HHBDLO COc1ccc(-c2ccc(C[NH+]3CCN(Cc4cscn4)CC3)o2)c([N+](=O)[O-])c1 ZINC000511523675 1005210404 /nfs/dbraw/zinc/21/04/04/1005210404.db2.gz GTVNZOKSKBKMNQ-UHFFFAOYSA-N 1 2 414.487 3.638 20 5 HHBDLO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513994067 1005218758 /nfs/dbraw/zinc/21/87/58/1005218758.db2.gz IMUUVQULFXHXLR-CQSZACIVSA-N 1 2 411.792 3.636 20 5 HHBDLO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513994066 1005218861 /nfs/dbraw/zinc/21/88/61/1005218861.db2.gz IMUUVQULFXHXLR-AWEZNQCLSA-N 1 2 411.792 3.636 20 5 HHBDLO O=C(C[NH+]1CCC(N2CCc3ccccc32)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000503430412 1005418037 /nfs/dbraw/zinc/41/80/37/1005418037.db2.gz CQFXVMKBSGEBPM-UHFFFAOYSA-N 1 2 414.893 3.714 20 5 HHBDLO Cc1cc(N2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)nc(C(C)C)[nH+]1 ZINC000534077893 1006049856 /nfs/dbraw/zinc/04/98/56/1006049856.db2.gz YIEQJQUYCPKAAR-UHFFFAOYSA-N 1 2 422.489 3.794 20 5 HHBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000534392100 1006366771 /nfs/dbraw/zinc/36/67/71/1006366771.db2.gz MXSOMUBVHUTZKO-WMZOPIPTSA-N 1 2 407.829 3.571 20 5 HHBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000534392100 1006366776 /nfs/dbraw/zinc/36/67/76/1006366776.db2.gz MXSOMUBVHUTZKO-WMZOPIPTSA-N 1 2 407.829 3.571 20 5 HHBDLO C[C@@H](Nc1ccc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000534467421 1006452996 /nfs/dbraw/zinc/45/29/96/1006452996.db2.gz JKINYWSBSGNDHC-NVXWUHKLSA-N 1 2 420.473 3.526 20 5 HHBDLO COc1ccc(C[NH2+][C@@H](C(=O)NCc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000515736722 1006631288 /nfs/dbraw/zinc/63/12/88/1006631288.db2.gz RCJJAXXRCNZPKR-JOCHJYFZSA-N 1 2 405.454 3.751 20 5 HHBDLO COc1ccc(C[NH2+][C@H](C(=O)NCc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000515736723 1006631424 /nfs/dbraw/zinc/63/14/24/1006631424.db2.gz RCJJAXXRCNZPKR-QFIPXVFZSA-N 1 2 405.454 3.751 20 5 HHBDLO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]([C@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])C3)nc2c1 ZINC000534952165 1006996226 /nfs/dbraw/zinc/99/62/26/1006996226.db2.gz TVDWGBOERWDWHT-HZPDHXFCSA-N 1 2 407.474 3.986 20 5 HHBDLO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]([C@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])C3)nc2c1 ZINC000534952165 1006996234 /nfs/dbraw/zinc/99/62/34/1006996234.db2.gz TVDWGBOERWDWHT-HZPDHXFCSA-N 1 2 407.474 3.986 20 5 HHBDLO Cc1ccc2nc([C@@H]3CCC[N@@H+]([C@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000534952165 1006996244 /nfs/dbraw/zinc/99/62/44/1006996244.db2.gz TVDWGBOERWDWHT-HZPDHXFCSA-N 1 2 407.474 3.986 20 5 HHBDLO Cc1ccc2nc([C@@H]3CCC[N@H+]([C@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000534952165 1006996254 /nfs/dbraw/zinc/99/62/54/1006996254.db2.gz TVDWGBOERWDWHT-HZPDHXFCSA-N 1 2 407.474 3.986 20 5 HHBDLO Cc1c(CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000535132028 1007170328 /nfs/dbraw/zinc/17/03/28/1007170328.db2.gz YFTANWDVKXCKSB-YLJYHZDGSA-N 1 2 405.857 3.800 20 5 HHBDLO Cc1c(CC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000535132028 1007170330 /nfs/dbraw/zinc/17/03/30/1007170330.db2.gz YFTANWDVKXCKSB-YLJYHZDGSA-N 1 2 405.857 3.800 20 5 HHBDLO O=C(C[NH+]1CCC(Oc2ccccc2Cl)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532827029 1007210716 /nfs/dbraw/zinc/21/07/16/1007210716.db2.gz HEGJBWVZBZWQLX-UHFFFAOYSA-N 1 2 415.877 3.681 20 5 HHBDLO O=C(C[NH+]1CCC(Oc2ccccc2Cl)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000532827934 1007211755 /nfs/dbraw/zinc/21/17/55/1007211755.db2.gz PSICCNZJYLOTQT-UHFFFAOYSA-N 1 2 415.877 3.681 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000532964013 1007331696 /nfs/dbraw/zinc/33/16/96/1007331696.db2.gz QJYYEDRMDVVFCK-YVMONPNESA-N 1 2 408.502 3.563 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539216986 1007507607 /nfs/dbraw/zinc/50/76/07/1007507607.db2.gz ZAFRETRSSRNGCE-UYAOXDASSA-N 1 2 421.856 3.718 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539216986 1007507614 /nfs/dbraw/zinc/50/76/14/1007507614.db2.gz ZAFRETRSSRNGCE-UYAOXDASSA-N 1 2 421.856 3.718 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000533248456 1007567327 /nfs/dbraw/zinc/56/73/27/1007567327.db2.gz PONZLRQRWIACPU-HKUYNNGSSA-N 1 2 424.284 3.739 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000533248456 1007567337 /nfs/dbraw/zinc/56/73/37/1007567337.db2.gz PONZLRQRWIACPU-HKUYNNGSSA-N 1 2 424.284 3.739 20 5 HHBDLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533379833 1007691945 /nfs/dbraw/zinc/69/19/45/1007691945.db2.gz CKZVNUBORUAQGM-OLZOCXBDSA-N 1 2 423.395 3.522 20 5 HHBDLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533379833 1007691952 /nfs/dbraw/zinc/69/19/52/1007691952.db2.gz CKZVNUBORUAQGM-OLZOCXBDSA-N 1 2 423.395 3.522 20 5 HHBDLO O=C(C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000533479286 1007785564 /nfs/dbraw/zinc/78/55/64/1007785564.db2.gz VXCKAGDEDFFERO-UHFFFAOYSA-N 1 2 411.849 3.852 20 5 HHBDLO O=C(C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000533479286 1007785576 /nfs/dbraw/zinc/78/55/76/1007785576.db2.gz VXCKAGDEDFFERO-UHFFFAOYSA-N 1 2 411.849 3.852 20 5 HHBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000539489246 1007800057 /nfs/dbraw/zinc/80/00/57/1007800057.db2.gz QEDVYZWQEYBUNO-UHFFFAOYSA-N 1 2 412.490 3.767 20 5 HHBDLO O=C(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N[C@H](c1ccccc1)C1CCCC1 ZINC000533516941 1007835843 /nfs/dbraw/zinc/83/58/43/1007835843.db2.gz VVYZEUYCFIAJRT-WMZHIEFXSA-N 1 2 423.517 3.524 20 5 HHBDLO O=C(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N[C@H](c1ccccc1)C1CCCC1 ZINC000533516941 1007835850 /nfs/dbraw/zinc/83/58/50/1007835850.db2.gz VVYZEUYCFIAJRT-WMZHIEFXSA-N 1 2 423.517 3.524 20 5 HHBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000533526610 1007847019 /nfs/dbraw/zinc/84/70/19/1007847019.db2.gz YIELMDXNHSZFKC-OAQYLSRUSA-N 1 2 423.473 3.528 20 5 HHBDLO C[C@@H](Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000535993514 1008032113 /nfs/dbraw/zinc/03/21/13/1008032113.db2.gz LGSPWJFAXLYWFL-OAHLLOKOSA-N 1 2 403.442 3.949 20 5 HHBDLO COc1cc(OCC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)ccc1[N+](=O)[O-] ZINC000536042892 1008075560 /nfs/dbraw/zinc/07/55/60/1008075560.db2.gz BHNBQIUCYQUUCZ-UHFFFAOYSA-N 1 2 420.425 3.536 20 5 HHBDLO COc1ccc(-c2ccc(C[NH+]3CCN(c4ncccc4F)CC3)o2)c([N+](=O)[O-])c1 ZINC000539851369 1008140546 /nfs/dbraw/zinc/14/05/46/1008140546.db2.gz ZNGWSPNQXZZJKX-UHFFFAOYSA-N 1 2 412.421 3.720 20 5 HHBDLO CCOc1ccc([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000543140170 1008712816 /nfs/dbraw/zinc/71/28/16/1008712816.db2.gz UDLXJXHSOHQKLZ-HXUWFJFHSA-N 1 2 404.488 3.604 20 5 HHBDLO CCOc1ccc([C@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000543140170 1008712830 /nfs/dbraw/zinc/71/28/30/1008712830.db2.gz UDLXJXHSOHQKLZ-HXUWFJFHSA-N 1 2 404.488 3.604 20 5 HHBDLO Cc1csc(Sc2ccc(-c3nc(Cc4c[nH+]cn4C)no3)cc2[N+](=O)[O-])n1 ZINC000545850537 1008937223 /nfs/dbraw/zinc/93/72/23/1008937223.db2.gz RAWNNRMUPFVAAH-UHFFFAOYSA-N 1 2 414.472 3.885 20 5 HHBDLO COc1cc(C[N@H+](C)Cc2ccc(OC(F)F)c(OC)c2)c([N+](=O)[O-])cc1F ZINC000545913758 1008993790 /nfs/dbraw/zinc/99/37/90/1008993790.db2.gz MQAXDQHDZSUDQU-UHFFFAOYSA-N 1 2 400.353 3.985 20 5 HHBDLO COc1cc(C[N@@H+](C)Cc2ccc(OC(F)F)c(OC)c2)c([N+](=O)[O-])cc1F ZINC000545913758 1008993801 /nfs/dbraw/zinc/99/38/01/1008993801.db2.gz MQAXDQHDZSUDQU-UHFFFAOYSA-N 1 2 400.353 3.985 20 5 HHBDLO CC(C)(C)c1nc(CN2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000519968721 1009113191 /nfs/dbraw/zinc/11/31/91/1009113191.db2.gz YNLAJILXOMPHON-UHFFFAOYSA-N 1 2 404.536 3.545 20 5 HHBDLO Cc1nnc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000543729208 1009321181 /nfs/dbraw/zinc/32/11/81/1009321181.db2.gz FCGGFCNXOFMFEH-UHFFFAOYSA-N 1 2 406.471 3.897 20 5 HHBDLO COc1ccc(C[NH2+]Cc2nnc(C)s2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000543729185 1009321275 /nfs/dbraw/zinc/32/12/75/1009321275.db2.gz XSQJEGXGCIEIGV-UHFFFAOYSA-N 1 2 400.460 3.632 20 5 HHBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000520348926 1009484385 /nfs/dbraw/zinc/48/43/85/1009484385.db2.gz IDIHOEQZGHJWLZ-MRXNPFEDSA-N 1 2 421.856 3.547 20 5 HHBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000520348926 1009484406 /nfs/dbraw/zinc/48/44/06/1009484406.db2.gz IDIHOEQZGHJWLZ-MRXNPFEDSA-N 1 2 421.856 3.547 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543949593 1009546256 /nfs/dbraw/zinc/54/62/56/1009546256.db2.gz QCSYIAXTTPRSCY-OXQOHEQNSA-N 1 2 407.392 3.506 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543949593 1009546269 /nfs/dbraw/zinc/54/62/69/1009546269.db2.gz QCSYIAXTTPRSCY-OXQOHEQNSA-N 1 2 407.392 3.506 20 5 HHBDLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccco1 ZINC000544449278 1010072339 /nfs/dbraw/zinc/07/23/39/1010072339.db2.gz MTWPYASKNWGXAA-IUODEOHRSA-N 1 2 416.459 3.616 20 5 HHBDLO CC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1nc(C(F)(F)F)cs1 ZINC000544457749 1010081615 /nfs/dbraw/zinc/08/16/15/1010081615.db2.gz WOMJNBMCLFBQIV-LBPRGKRZSA-N 1 2 414.409 3.700 20 5 HHBDLO CC(C)(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000547241381 1010186007 /nfs/dbraw/zinc/18/60/07/1010186007.db2.gz LNLDTRYJGZTQRZ-UHFFFAOYSA-N 1 2 400.385 3.653 20 5 HHBDLO CC(C)(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000547245916 1010191478 /nfs/dbraw/zinc/19/14/78/1010191478.db2.gz DSQQNBJTLANKSQ-UHFFFAOYSA-N 1 2 400.454 3.713 20 5 HHBDLO CC(C)c1[nH+]ccn1Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000521285739 1010279116 /nfs/dbraw/zinc/27/91/16/1010279116.db2.gz CRZSGSSDPOKDLR-UHFFFAOYSA-N 1 2 400.460 3.764 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)c1 ZINC000545357426 1010748962 /nfs/dbraw/zinc/74/89/62/1010748962.db2.gz HYKRDOUAZBRNEJ-UHFFFAOYSA-N 1 2 417.263 3.594 20 5 HHBDLO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)cc2[N+](=O)[O-])C1 ZINC000523049970 1011518789 /nfs/dbraw/zinc/51/87/89/1011518789.db2.gz IZBHVLJHZYJRAJ-HZPDHXFCSA-N 1 2 411.506 3.820 20 5 HHBDLO Cc1occc1C(=O)NC1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000536362274 1011569939 /nfs/dbraw/zinc/56/99/39/1011569939.db2.gz GACQJPVWEAGYGA-UHFFFAOYSA-N 1 2 410.430 3.546 20 5 HHBDLO Cn1ccnc1[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000552043250 1012063356 /nfs/dbraw/zinc/06/33/56/1012063356.db2.gz DXJUBOPVYFFVBN-FXAWDEMLSA-N 1 2 411.893 3.940 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536912606 1012181847 /nfs/dbraw/zinc/18/18/47/1012181847.db2.gz XFOXWLUSUXQUDN-AZUAARDMSA-N 1 2 405.857 3.882 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536912606 1012181858 /nfs/dbraw/zinc/18/18/58/1012181858.db2.gz XFOXWLUSUXQUDN-AZUAARDMSA-N 1 2 405.857 3.882 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536917661 1012194882 /nfs/dbraw/zinc/19/48/82/1012194882.db2.gz XCSKRNRTFJYIOZ-MJGOQNOKSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536917661 1012194896 /nfs/dbraw/zinc/19/48/96/1012194896.db2.gz XCSKRNRTFJYIOZ-MJGOQNOKSA-N 1 2 421.856 3.961 20 5 HHBDLO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(N2CCCC2=O)c1 ZINC000537108565 1012480583 /nfs/dbraw/zinc/48/05/83/1012480583.db2.gz ZLMCHPCMBZNHDL-CQSZACIVSA-N 1 2 407.430 3.622 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542007926 1012891035 /nfs/dbraw/zinc/89/10/35/1012891035.db2.gz FZHQMXGDBOTDOX-SJLPKXTDSA-N 1 2 408.380 3.969 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542007926 1012891054 /nfs/dbraw/zinc/89/10/54/1012891054.db2.gz FZHQMXGDBOTDOX-SJLPKXTDSA-N 1 2 408.380 3.969 20 5 HHBDLO COc1cccc(NCCc2cn3cc(Br)cc(C)c3[nH+]2)c1[N+](=O)[O-] ZINC000542102442 1013035776 /nfs/dbraw/zinc/03/57/76/1013035776.db2.gz IOVIEWBVDDVPEH-UHFFFAOYSA-N 1 2 405.252 3.977 20 5 HHBDLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001168293399 1072448183 /nfs/dbraw/zinc/44/81/83/1072448183.db2.gz NNIGRVRHBXKHGT-QGZVFWFLSA-N 1 2 411.849 3.932 20 5 HHBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000587971457 1072724198 /nfs/dbraw/zinc/72/41/98/1072724198.db2.gz UBKUUYUIANGTHS-NVXWUHKLSA-N 1 2 419.547 3.565 20 5 HHBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000572205390 1073226815 /nfs/dbraw/zinc/22/68/15/1073226815.db2.gz GXPUSFRQISMEKM-UHFFFAOYSA-N 1 2 415.247 3.532 20 5 HHBDLO C[C@H](CF)NC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000588900361 1073318525 /nfs/dbraw/zinc/31/85/25/1073318525.db2.gz JTNNLFGYLMEKTD-CQSZACIVSA-N 1 2 406.483 3.509 20 5 HHBDLO CC(=O)N(c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1)C1CC1 ZINC000590525257 1073902211 /nfs/dbraw/zinc/90/22/11/1073902211.db2.gz HITCOGJJVBDILF-UHFFFAOYSA-N 1 2 405.414 3.548 20 5 HHBDLO O=C1OCCN1c1cccc2c1CC[N@@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000760840461 1074393806 /nfs/dbraw/zinc/39/38/06/1074393806.db2.gz GWXRWCJINLPXND-UHFFFAOYSA-N 1 2 420.425 3.765 20 5 HHBDLO O=C1OCCN1c1cccc2c1CC[N@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000760840461 1074393816 /nfs/dbraw/zinc/39/38/16/1074393816.db2.gz GWXRWCJINLPXND-UHFFFAOYSA-N 1 2 420.425 3.765 20 5 HHBDLO CCCN1C(=O)CC[C@@H](c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)[C@@H]1c1c[nH+]cn1C ZINC000573958980 1074754896 /nfs/dbraw/zinc/75/48/96/1074754896.db2.gz DNIPKJJWXCJVTK-DNVCBOLYSA-N 1 2 424.461 3.544 20 5 HHBDLO COC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1Cl ZINC000301670925 971022350 /nfs/dbraw/zinc/02/23/50/971022350.db2.gz NYEXRLPLPNACBX-UHFFFAOYSA-N 1 2 404.785 3.972 20 5 HHBDLO CN(C)c1ccc([NH+]2CCC(Nc3c(Br)cncc3[N+](=O)[O-])CC2)cc1 ZINC000301901652 971106763 /nfs/dbraw/zinc/10/67/63/971106763.db2.gz VTSCCIVKSFTGJK-UHFFFAOYSA-N 1 2 420.311 3.899 20 5 HHBDLO C[NH+](C)[C@@H](CNc1c(Br)cncc1[N+](=O)[O-])c1c(F)cccc1F ZINC000301901607 971106830 /nfs/dbraw/zinc/10/68/30/971106830.db2.gz VROQPEWVYUXFGV-LBPRGKRZSA-N 1 2 401.211 3.745 20 5 HHBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301938921 971125490 /nfs/dbraw/zinc/12/54/90/971125490.db2.gz SKGPMNNOKYIOTG-LBPRGKRZSA-N 1 2 409.259 3.775 20 5 HHBDLO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000303526675 971827384 /nfs/dbraw/zinc/82/73/84/971827384.db2.gz QWQLNLZHNDZFQH-HXUWFJFHSA-N 1 2 424.501 3.665 20 5 HHBDLO CC[N@H+](Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@@H](C)CS(C)(=O)=O ZINC000537637198 1013192695 /nfs/dbraw/zinc/19/26/95/1013192695.db2.gz PEIAUROJEABPOC-INIZCTEOSA-N 1 2 405.520 3.618 20 5 HHBDLO CC[N@@H+](Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@@H](C)CS(C)(=O)=O ZINC000537637198 1013192720 /nfs/dbraw/zinc/19/27/20/1013192720.db2.gz PEIAUROJEABPOC-INIZCTEOSA-N 1 2 405.520 3.618 20 5 HHBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000537681372 1013241975 /nfs/dbraw/zinc/24/19/75/1013241975.db2.gz BSOARDGAUIWLNF-HNNXBMFYSA-N 1 2 411.437 3.663 20 5 HHBDLO COc1ccccc1COC1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000537686464 1013249600 /nfs/dbraw/zinc/24/96/00/1013249600.db2.gz DKRGYNFSVOACDB-UHFFFAOYSA-N 1 2 413.474 3.532 20 5 HHBDLO COc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000014325829 962472018 /nfs/dbraw/zinc/47/20/18/962472018.db2.gz FCVUEJTVPRQZKW-HNNXBMFYSA-N 1 2 411.458 3.525 20 5 HHBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000015767354 962859843 /nfs/dbraw/zinc/85/98/43/962859843.db2.gz WIPDXCKRKBKYAK-BJMVGYQFSA-N 1 2 419.403 3.971 20 5 HHBDLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccc([N+](=O)[O-])s1 ZINC000016237476 962987602 /nfs/dbraw/zinc/98/76/02/962987602.db2.gz DILPQLRPXOCVII-UHFFFAOYSA-N 1 2 400.485 3.923 20 5 HHBDLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccc([N+](=O)[O-])s1 ZINC000016237476 962987611 /nfs/dbraw/zinc/98/76/11/962987611.db2.gz DILPQLRPXOCVII-UHFFFAOYSA-N 1 2 400.485 3.923 20 5 HHBDLO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000017307834 963183000 /nfs/dbraw/zinc/18/30/00/963183000.db2.gz XOPNTBFTTNZKSP-AWEZNQCLSA-N 1 2 409.895 3.929 20 5 HHBDLO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000017307834 963183005 /nfs/dbraw/zinc/18/30/05/963183005.db2.gz XOPNTBFTTNZKSP-AWEZNQCLSA-N 1 2 409.895 3.929 20 5 HHBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000018121833 963273116 /nfs/dbraw/zinc/27/31/16/963273116.db2.gz IZZZDFFAEXQBCX-UHFFFAOYSA-N 1 2 424.284 3.738 20 5 HHBDLO COC(=O)c1cc(C)nc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000553509678 1013409712 /nfs/dbraw/zinc/40/97/12/1013409712.db2.gz FIAQSMZYTTWBOY-HOTGVXAUSA-N 1 2 422.844 3.735 20 5 HHBDLO COC(=O)c1cc(C)nc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000553509678 1013409716 /nfs/dbraw/zinc/40/97/16/1013409716.db2.gz FIAQSMZYTTWBOY-HOTGVXAUSA-N 1 2 422.844 3.735 20 5 HHBDLO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000020000161 963376332 /nfs/dbraw/zinc/37/63/32/963376332.db2.gz CEYRWHQARMXCPT-QGZVFWFLSA-N 1 2 411.911 3.610 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000024662727 964043849 /nfs/dbraw/zinc/04/38/49/964043849.db2.gz LYCZEXXRJQHPQL-AWEZNQCLSA-N 1 2 410.430 3.563 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000024662727 964043864 /nfs/dbraw/zinc/04/38/64/964043864.db2.gz LYCZEXXRJQHPQL-AWEZNQCLSA-N 1 2 410.430 3.563 20 5 HHBDLO CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000553612896 1013498316 /nfs/dbraw/zinc/49/83/16/1013498316.db2.gz BCEAKHRFWPBSNR-WMZOPIPTSA-N 1 2 410.396 3.517 20 5 HHBDLO CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000553612896 1013498318 /nfs/dbraw/zinc/49/83/18/1013498318.db2.gz BCEAKHRFWPBSNR-WMZOPIPTSA-N 1 2 410.396 3.517 20 5 HHBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC(F)F ZINC000026452539 964568850 /nfs/dbraw/zinc/56/88/50/964568850.db2.gz OSNCSZWADFSCBU-UHFFFAOYSA-N 1 2 409.389 3.584 20 5 HHBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC(F)F ZINC000026452539 964568861 /nfs/dbraw/zinc/56/88/61/964568861.db2.gz OSNCSZWADFSCBU-UHFFFAOYSA-N 1 2 409.389 3.584 20 5 HHBDLO Cc1c([C@@H](C)[NH2+][C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cnn1C ZINC000542585780 1013526092 /nfs/dbraw/zinc/52/60/92/1013526092.db2.gz FLUTVUKARNTQHJ-VFNWGFHPSA-N 1 2 407.474 3.976 20 5 HHBDLO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000028415960 965098249 /nfs/dbraw/zinc/09/82/49/965098249.db2.gz XHDRZUNRDQEFMF-GOSISDBHSA-N 1 2 421.856 3.719 20 5 HHBDLO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000053280303 965116543 /nfs/dbraw/zinc/11/65/43/965116543.db2.gz BIJXENRURKUUIN-INIZCTEOSA-N 1 2 404.264 3.793 20 5 HHBDLO NC(=O)c1ccc(C[N@H+]2CCC[C@H]2c2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000053280303 965116551 /nfs/dbraw/zinc/11/65/51/965116551.db2.gz BIJXENRURKUUIN-INIZCTEOSA-N 1 2 404.264 3.793 20 5 HHBDLO Cc1c([N+](=O)[O-])cc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000028677695 965156236 /nfs/dbraw/zinc/15/62/36/965156236.db2.gz PTHNOBJLCHNMKC-NSHDSACASA-N 1 2 419.463 3.752 20 5 HHBDLO Cc1c([N+](=O)[O-])cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000028677695 965156244 /nfs/dbraw/zinc/15/62/44/965156244.db2.gz PTHNOBJLCHNMKC-NSHDSACASA-N 1 2 419.463 3.752 20 5 HHBDLO COCCCCN(Cc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000057417345 965441064 /nfs/dbraw/zinc/44/10/64/965441064.db2.gz WXTAPYURGIOJHD-UHFFFAOYSA-N 1 2 408.458 3.850 20 5 HHBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000055417509 965851665 /nfs/dbraw/zinc/85/16/65/965851665.db2.gz JWNLLICBFAZKHG-CALCHBBNSA-N 1 2 413.474 3.612 20 5 HHBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000055417509 965851668 /nfs/dbraw/zinc/85/16/68/965851668.db2.gz JWNLLICBFAZKHG-CALCHBBNSA-N 1 2 413.474 3.612 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(COc2ccccc2)CC1 ZINC000055424081 965855750 /nfs/dbraw/zinc/85/57/50/965855750.db2.gz FFSNAIDJWWMROR-UHFFFAOYSA-N 1 2 406.442 3.712 20 5 HHBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000542684075 1013605168 /nfs/dbraw/zinc/60/51/68/1013605168.db2.gz ZVZNNJBFOZRJQV-GHTZIAJQSA-N 1 2 424.432 3.912 20 5 HHBDLO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031895258 966148041 /nfs/dbraw/zinc/14/80/41/966148041.db2.gz HWDSCQZYMVQHHH-SFHVURJKSA-N 1 2 405.857 3.883 20 5 HHBDLO O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055943325 966148747 /nfs/dbraw/zinc/14/87/47/966148747.db2.gz VFXHOWCRJAZGTC-PMACEKPBSA-N 1 2 410.405 3.570 20 5 HHBDLO CCOc1cc2c(cc1NC(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000032054962 966184380 /nfs/dbraw/zinc/18/43/80/966184380.db2.gz MRJKGESGCZUBKY-CYBMUJFWSA-N 1 2 408.414 3.755 20 5 HHBDLO Cc1nccc(-c2cccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)c2)n1 ZINC000032171521 966199579 /nfs/dbraw/zinc/19/95/79/966199579.db2.gz OSAOXZOXTZQAKW-UHFFFAOYSA-N 1 2 400.398 3.798 20 5 HHBDLO COc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000032964404 966352881 /nfs/dbraw/zinc/35/28/81/966352881.db2.gz HZSBUOSCLNFIJA-UHFFFAOYSA-N 1 2 403.866 3.605 20 5 HHBDLO COc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000032964404 966352890 /nfs/dbraw/zinc/35/28/90/966352890.db2.gz HZSBUOSCLNFIJA-UHFFFAOYSA-N 1 2 403.866 3.605 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000063584536 966895344 /nfs/dbraw/zinc/89/53/44/966895344.db2.gz HTXIYVXATVSKGJ-UHFFFAOYSA-N 1 2 409.421 3.636 20 5 HHBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000553981504 1013735362 /nfs/dbraw/zinc/73/53/62/1013735362.db2.gz VVKSTRMMXYMFDG-UHFFFAOYSA-N 1 2 406.442 3.753 20 5 HHBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000553981504 1013735372 /nfs/dbraw/zinc/73/53/72/1013735372.db2.gz VVKSTRMMXYMFDG-UHFFFAOYSA-N 1 2 406.442 3.753 20 5 HHBDLO C[C@@H]([NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000538180833 1013739490 /nfs/dbraw/zinc/73/94/90/1013739490.db2.gz QKULWOOQHICGLB-CYBMUJFWSA-N 1 2 417.512 3.973 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000047406647 968178843 /nfs/dbraw/zinc/17/88/43/968178843.db2.gz GKGYUPRMTOQOFP-KRWDZBQOSA-N 1 2 408.414 3.753 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000047406647 968178850 /nfs/dbraw/zinc/17/88/50/968178850.db2.gz GKGYUPRMTOQOFP-KRWDZBQOSA-N 1 2 408.414 3.753 20 5 HHBDLO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744756 968295527 /nfs/dbraw/zinc/29/55/27/968295527.db2.gz KBFOSROMFBZJRI-IBGZPJMESA-N 1 2 410.518 3.543 20 5 HHBDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)CSc3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000065693134 968593953 /nfs/dbraw/zinc/59/39/53/968593953.db2.gz WHCGWZADXILSPT-UHFFFAOYSA-N 1 2 414.531 3.550 20 5 HHBDLO CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000065825228 968663920 /nfs/dbraw/zinc/66/39/20/968663920.db2.gz CCLZZGFFVVQBDK-CQSZACIVSA-N 1 2 404.430 3.641 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000105825405 969265865 /nfs/dbraw/zinc/26/58/65/969265865.db2.gz PZCPPJGJIOCVCV-UHFFFAOYSA-N 1 2 413.352 3.573 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000105825405 969265871 /nfs/dbraw/zinc/26/58/71/969265871.db2.gz PZCPPJGJIOCVCV-UHFFFAOYSA-N 1 2 413.352 3.573 20 5 HHBDLO CC(C)(C)OC(=O)N1CC[NH+](CCCNc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000111193837 969797805 /nfs/dbraw/zinc/79/78/05/969797805.db2.gz JAFBEXCBAQUODD-UHFFFAOYSA-N 1 2 421.523 3.559 20 5 HHBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000425996629 974111367 /nfs/dbraw/zinc/11/13/67/974111367.db2.gz RLALXXRZGVXGOB-SFTDATJTSA-N 1 2 405.458 3.562 20 5 HHBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426247144 974341382 /nfs/dbraw/zinc/34/13/82/974341382.db2.gz ZCHMPYLQFWRVSS-UHFFFAOYSA-N 1 2 419.485 3.756 20 5 HHBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CCO1 ZINC000428068865 975416407 /nfs/dbraw/zinc/41/64/07/975416407.db2.gz CXBNIPZXJROFBU-GOSISDBHSA-N 1 2 421.563 3.718 20 5 HHBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CCO1 ZINC000428068865 975416411 /nfs/dbraw/zinc/41/64/11/975416411.db2.gz CXBNIPZXJROFBU-GOSISDBHSA-N 1 2 421.563 3.718 20 5 HHBDLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000429007552 976287551 /nfs/dbraw/zinc/28/75/51/976287551.db2.gz MDIGYFKHDOOCPJ-CYBMUJFWSA-N 1 2 421.856 3.965 20 5 HHBDLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000429007552 976287571 /nfs/dbraw/zinc/28/75/71/976287571.db2.gz MDIGYFKHDOOCPJ-CYBMUJFWSA-N 1 2 421.856 3.965 20 5 HHBDLO O=C(C[NH+]1CCC(c2ccncc2)CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000429547860 976813699 /nfs/dbraw/zinc/81/36/99/976813699.db2.gz KGQNWMXUUJINSL-UHFFFAOYSA-N 1 2 423.498 3.931 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000430219289 977398633 /nfs/dbraw/zinc/39/86/33/977398633.db2.gz OODFILFTKYVKIG-LLVKDONJSA-N 1 2 423.263 3.988 20 5 HHBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431785443 978511579 /nfs/dbraw/zinc/51/15/79/978511579.db2.gz PVVAJRDTRNXMHG-UHFFFAOYSA-N 1 2 415.247 3.532 20 5 HHBDLO Cc1c(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435325965 980784641 /nfs/dbraw/zinc/78/46/41/980784641.db2.gz BKSZFWIBDBFHBB-BZNIZROVSA-N 1 2 422.283 3.977 20 5 HHBDLO O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000436952557 981642761 /nfs/dbraw/zinc/64/27/61/981642761.db2.gz XWXMBPUHEUNYKD-UHFFFAOYSA-N 1 2 423.391 3.714 20 5 HHBDLO O=C(C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000448433625 981775572 /nfs/dbraw/zinc/77/55/72/981775572.db2.gz NYOASGSYQASZEB-SFHVURJKSA-N 1 2 422.416 3.797 20 5 HHBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437222550 981878216 /nfs/dbraw/zinc/87/82/16/981878216.db2.gz SEYGAXGBJAJWQQ-UHFFFAOYSA-N 1 2 404.348 3.788 20 5 HHBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437915406 982460773 /nfs/dbraw/zinc/46/07/73/982460773.db2.gz FVSVCFWREIUFSF-UHFFFAOYSA-N 1 2 419.485 3.756 20 5 HHBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000460734321 982491429 /nfs/dbraw/zinc/49/14/29/982491429.db2.gz JZNLSLWIEZFAFT-GOSISDBHSA-N 1 2 405.857 3.883 20 5 HHBDLO CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000461206590 982920679 /nfs/dbraw/zinc/92/06/79/982920679.db2.gz IISLBBOTXLPOKN-SFHVURJKSA-N 1 2 405.458 3.522 20 5 HHBDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000439787861 983539533 /nfs/dbraw/zinc/53/95/33/983539533.db2.gz LFKBGJMYHLIHPH-AOMKIAJQSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000439787861 983539537 /nfs/dbraw/zinc/53/95/37/983539537.db2.gz LFKBGJMYHLIHPH-AOMKIAJQSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000439788159 983539665 /nfs/dbraw/zinc/53/96/65/983539665.db2.gz LSEKDQWBICPJGV-ZHRRBRCNSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000439788159 983539669 /nfs/dbraw/zinc/53/96/69/983539669.db2.gz LSEKDQWBICPJGV-ZHRRBRCNSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000439791933 983541346 /nfs/dbraw/zinc/54/13/46/983541346.db2.gz YJIBZSVARQBFSX-ZHRRBRCNSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000439791933 983541347 /nfs/dbraw/zinc/54/13/47/983541347.db2.gz YJIBZSVARQBFSX-ZHRRBRCNSA-N 1 2 410.518 3.979 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000439926011 983584809 /nfs/dbraw/zinc/58/48/09/983584809.db2.gz HLFXUIAXBYUPNY-LPHOPBHVSA-N 1 2 420.416 3.839 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000439926011 983584812 /nfs/dbraw/zinc/58/48/12/983584812.db2.gz HLFXUIAXBYUPNY-LPHOPBHVSA-N 1 2 420.416 3.839 20 5 HHBDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000440094048 983641844 /nfs/dbraw/zinc/64/18/44/983641844.db2.gz BDKUDXYUULEGSM-VGOFRKELSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000440094048 983641846 /nfs/dbraw/zinc/64/18/46/983641846.db2.gz BDKUDXYUULEGSM-VGOFRKELSA-N 1 2 410.518 3.979 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000440550202 983792955 /nfs/dbraw/zinc/79/29/55/983792955.db2.gz ZSNYVRVYMVDLBY-CPBBTPEFSA-N 1 2 417.506 3.600 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000440550202 983792958 /nfs/dbraw/zinc/79/29/58/983792958.db2.gz ZSNYVRVYMVDLBY-CPBBTPEFSA-N 1 2 417.506 3.600 20 5 HHBDLO CC[C@](C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1nccs1 ZINC000440691487 983854857 /nfs/dbraw/zinc/85/48/57/983854857.db2.gz HZYUPEVPAMMBPI-HNNXBMFYSA-N 1 2 413.297 3.667 20 5 HHBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCNc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000441516518 984298331 /nfs/dbraw/zinc/29/83/31/984298331.db2.gz UKHMNOBLIADGBQ-HXUWFJFHSA-N 1 2 422.489 3.561 20 5 HHBDLO Cc1cc(NC[C@]2([NH+]3CCOCC3)CCSC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461778263 984775405 /nfs/dbraw/zinc/77/54/05/984775405.db2.gz OKHNNIKCMIPHRZ-MRXNPFEDSA-N 1 2 405.442 3.542 20 5 HHBDLO Cc1cccc([C@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)[NH+]2CCOCC2)c1 ZINC000462918207 985850950 /nfs/dbraw/zinc/85/09/50/985850950.db2.gz ATQXSTSXXNHHEO-SFHVURJKSA-N 1 2 407.417 3.990 20 5 HHBDLO COc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1SC ZINC000463029663 985988554 /nfs/dbraw/zinc/98/85/54/985988554.db2.gz AVKSIKYDSWIUTK-ZDUSSCGKSA-N 1 2 421.544 3.906 20 5 HHBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000463033654 985992605 /nfs/dbraw/zinc/99/26/05/985992605.db2.gz LFHVRCMEMABZBL-AWEZNQCLSA-N 1 2 405.495 3.978 20 5 HHBDLO C[C@H](c1ccsc1)N1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000463057356 986015611 /nfs/dbraw/zinc/01/56/11/986015611.db2.gz HZJKOJKOXVLZGK-MRXNPFEDSA-N 1 2 411.531 3.936 20 5 HHBDLO Cn1cnc([N+](=O)[O-])c1N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000443881826 986082183 /nfs/dbraw/zinc/08/21/83/986082183.db2.gz HVZCAQOJLCMVKI-LJQANCHMSA-N 1 2 411.893 3.893 20 5 HHBDLO C[C@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C[C@H]1n1cc[nH+]c1 ZINC000444222566 986408628 /nfs/dbraw/zinc/40/86/28/986408628.db2.gz GPYWLGZEZWWVKS-ORAYPTAESA-N 1 2 422.435 3.879 20 5 HHBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444244663 986436764 /nfs/dbraw/zinc/43/67/64/986436764.db2.gz XBTPHXBVXUAFAY-UHFFFAOYSA-N 1 2 404.376 3.537 20 5 HHBDLO CCOc1cc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])cc1OCC ZINC000444835421 986993153 /nfs/dbraw/zinc/99/31/53/986993153.db2.gz JYXNZWVFZCNXCK-CQSZACIVSA-N 1 2 417.466 3.537 20 5 HHBDLO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc2[N+](=O)[O-])C1 ZINC000469386953 987086149 /nfs/dbraw/zinc/08/61/49/987086149.db2.gz VCOPDIHZNGQXML-LZJOCLMNSA-N 1 2 411.506 3.751 20 5 HHBDLO CC(C)N1CC[NH+](CCCSc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000470447629 988425176 /nfs/dbraw/zinc/42/51/76/988425176.db2.gz CESZLWMWSWTSNB-UHFFFAOYSA-N 1 2 402.358 3.866 20 5 HHBDLO COc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c([N+](=O)[O-])cc1F ZINC000464489262 988659942 /nfs/dbraw/zinc/65/99/42/988659942.db2.gz FLZJHAWYPXGKFP-ZDUSSCGKSA-N 1 2 415.343 3.810 20 5 HHBDLO COc1cc(C[N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c([N+](=O)[O-])cc1F ZINC000464489262 988659948 /nfs/dbraw/zinc/65/99/48/988659948.db2.gz FLZJHAWYPXGKFP-ZDUSSCGKSA-N 1 2 415.343 3.810 20 5 HHBDLO CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000470715520 988738690 /nfs/dbraw/zinc/73/86/90/988738690.db2.gz FSIPPNDZAUQWAH-UHFFFAOYSA-N 1 2 420.347 3.951 20 5 HHBDLO CO[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000464596116 988777112 /nfs/dbraw/zinc/77/71/12/988777112.db2.gz XEJAVTRDBZYWMM-GOSISDBHSA-N 1 2 400.822 3.551 20 5 HHBDLO O=C(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(OC(F)F)cc1 ZINC000464783913 989013218 /nfs/dbraw/zinc/01/32/18/989013218.db2.gz SORHKSFZFBTFGD-UHFFFAOYSA-N 1 2 421.400 3.678 20 5 HHBDLO COC(=O)[C@H]1c2ccccc2CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000464825845 989063648 /nfs/dbraw/zinc/06/36/48/989063648.db2.gz YHMPTUKKDYRDLU-OAQYLSRUSA-N 1 2 407.426 3.565 20 5 HHBDLO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000464825845 989063657 /nfs/dbraw/zinc/06/36/57/989063657.db2.gz YHMPTUKKDYRDLU-OAQYLSRUSA-N 1 2 407.426 3.565 20 5 HHBDLO Cc1ccc([C@@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c2ccccn2)cc1 ZINC000471075303 989165116 /nfs/dbraw/zinc/16/51/16/989165116.db2.gz PBGWMRULMUMYIT-HSZRJFAPSA-N 1 2 402.454 3.567 20 5 HHBDLO COCc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000467122060 992436166 /nfs/dbraw/zinc/43/61/66/992436166.db2.gz JKARXSHHTDNVEW-SUMWQHHRSA-N 1 2 403.435 3.507 20 5 HHBDLO COCc1ccc([C@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000467122060 992436173 /nfs/dbraw/zinc/43/61/73/992436173.db2.gz JKARXSHHTDNVEW-SUMWQHHRSA-N 1 2 403.435 3.507 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000472486227 993488613 /nfs/dbraw/zinc/48/86/13/993488613.db2.gz JHIGZYLIYHDMRI-UHFFFAOYSA-N 1 2 418.397 3.539 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000472486227 993488616 /nfs/dbraw/zinc/48/86/16/993488616.db2.gz JHIGZYLIYHDMRI-UHFFFAOYSA-N 1 2 418.397 3.539 20 5 HHBDLO CCCN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2ccc(F)cc21 ZINC000481386516 994217580 /nfs/dbraw/zinc/21/75/80/994217580.db2.gz IZBWMZUVBGEVIN-UHFFFAOYSA-N 1 2 409.421 3.796 20 5 HHBDLO Cc1csc(Sc2ccc(C(=O)N[C@@H](C)Cn3cc[nH+]c3)cc2[N+](=O)[O-])n1 ZINC000481445883 994282507 /nfs/dbraw/zinc/28/25/07/994282507.db2.gz NJMKALLPSIGTFQ-NSHDSACASA-N 1 2 403.489 3.526 20 5 HHBDLO CCc1ccc([C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CCO2)cc1 ZINC000482059937 994990051 /nfs/dbraw/zinc/99/00/51/994990051.db2.gz HFBWSNAXBIBVTE-NRFANRHFSA-N 1 2 406.442 3.557 20 5 HHBDLO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000475220456 996005464 /nfs/dbraw/zinc/00/54/64/996005464.db2.gz OVKLVPAVJCNLEN-UHFFFAOYSA-N 1 2 409.368 3.799 20 5 HHBDLO CSC1(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)CC1 ZINC000475357022 996087351 /nfs/dbraw/zinc/08/73/51/996087351.db2.gz XVQJAYVTZBPEBH-UHFFFAOYSA-N 1 2 417.556 3.863 20 5 HHBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000476352336 996773405 /nfs/dbraw/zinc/77/34/05/996773405.db2.gz DQWHZHKXPSRQPJ-UHFFFAOYSA-N 1 2 400.385 3.722 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485747898 998219175 /nfs/dbraw/zinc/21/91/75/998219175.db2.gz DWOVBPCMPMKGDM-BEFAXECRSA-N 1 2 400.385 3.530 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485747898 998219188 /nfs/dbraw/zinc/21/91/88/998219188.db2.gz DWOVBPCMPMKGDM-BEFAXECRSA-N 1 2 400.385 3.530 20 5 HHBDLO O=C(Nc1ccnn1-c1cccc(Cl)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000485871894 998329313 /nfs/dbraw/zinc/32/93/13/998329313.db2.gz QRXHRJFBLZPSBP-UHFFFAOYSA-N 1 2 408.805 3.872 20 5 HHBDLO C[N@@H+]1CC[C@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1c1ccc(F)c(F)c1 ZINC000485994468 998437767 /nfs/dbraw/zinc/43/77/67/998437767.db2.gz PPMFSKOBGBBGDG-DLBZAZTESA-N 1 2 401.373 3.780 20 5 HHBDLO C[N@H+]1CC[C@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1c1ccc(F)c(F)c1 ZINC000485994468 998437770 /nfs/dbraw/zinc/43/77/70/998437770.db2.gz PPMFSKOBGBBGDG-DLBZAZTESA-N 1 2 401.373 3.780 20 5 HHBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000478008259 998711005 /nfs/dbraw/zinc/71/10/05/998711005.db2.gz DYRRFGQJEAUNHI-UHFFFAOYSA-N 1 2 421.413 3.620 20 5 HHBDLO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000486748695 998921225 /nfs/dbraw/zinc/92/12/25/998921225.db2.gz XJNPVQSSENTBRF-UHFFFAOYSA-N 1 2 404.348 3.788 20 5 HHBDLO COc1cc(OC)c(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(OC)c1 ZINC000487203873 999096146 /nfs/dbraw/zinc/09/61/46/999096146.db2.gz MGOZLSSCENTYIS-UHFFFAOYSA-N 1 2 400.353 3.929 20 5 HHBDLO Cc1c(C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)cccc1[N+](=O)[O-] ZINC000479452159 999423832 /nfs/dbraw/zinc/42/38/32/999423832.db2.gz IFANEYVZGGPJRB-JTQLQIEISA-N 1 2 418.302 3.708 20 5 HHBDLO COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000490723617 999997472 /nfs/dbraw/zinc/99/74/72/999997472.db2.gz NDJHWWSAZZYPIW-IBGZPJMESA-N 1 2 414.849 3.894 20 5 HHBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccccc1Br ZINC000490848202 1000015679 /nfs/dbraw/zinc/01/56/79/1000015679.db2.gz VJMPJNIBJCDGIN-UHFFFAOYSA-N 1 2 404.264 3.960 20 5 HHBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccccc1Br ZINC000490848202 1000015681 /nfs/dbraw/zinc/01/56/81/1000015681.db2.gz VJMPJNIBJCDGIN-UHFFFAOYSA-N 1 2 404.264 3.960 20 5 HHBDLO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000491089626 1000044197 /nfs/dbraw/zinc/04/41/97/1000044197.db2.gz UPYRQUSSYOQNKW-LPHOPBHVSA-N 1 2 421.563 3.526 20 5 HHBDLO Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)CC3 ZINC000491457597 1000076451 /nfs/dbraw/zinc/07/64/51/1000076451.db2.gz PFLXPDBWWQYNHC-MRXNPFEDSA-N 1 2 415.453 3.858 20 5 HHBDLO COc1ccc2ccccc2c1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000491468947 1000077351 /nfs/dbraw/zinc/07/73/51/1000077351.db2.gz KREKNJXVSWPPAC-UHFFFAOYSA-N 1 2 402.410 3.872 20 5 HHBDLO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000494135529 1000324556 /nfs/dbraw/zinc/32/45/56/1000324556.db2.gz YMTGPIORWRMOCG-YJBOKZPZSA-N 1 2 421.448 3.673 20 5 HHBDLO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000494135529 1000324560 /nfs/dbraw/zinc/32/45/60/1000324560.db2.gz YMTGPIORWRMOCG-YJBOKZPZSA-N 1 2 421.448 3.673 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494243782 1000383884 /nfs/dbraw/zinc/38/38/84/1000383884.db2.gz CVENCLNGACREEZ-UHFFFAOYSA-N 1 2 410.243 3.875 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494243782 1000383888 /nfs/dbraw/zinc/38/38/88/1000383888.db2.gz CVENCLNGACREEZ-UHFFFAOYSA-N 1 2 410.243 3.875 20 5 HHBDLO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc(Br)c(F)c1 ZINC000494292734 1000416007 /nfs/dbraw/zinc/41/60/07/1000416007.db2.gz ITQJWFKBOKSQMI-UHFFFAOYSA-N 1 2 422.254 3.518 20 5 HHBDLO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc(Br)c(F)c1 ZINC000494292734 1000416012 /nfs/dbraw/zinc/41/60/12/1000416012.db2.gz ITQJWFKBOKSQMI-UHFFFAOYSA-N 1 2 422.254 3.518 20 5 HHBDLO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000505578180 1000917290 /nfs/dbraw/zinc/91/72/90/1000917290.db2.gz FIEORZPSFFQJSF-FQEVSTJZSA-N 1 2 403.442 3.520 20 5 HHBDLO O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000505686952 1000975900 /nfs/dbraw/zinc/97/59/00/1000975900.db2.gz YFMGOXKMQBOJBV-OAQYLSRUSA-N 1 2 420.494 3.928 20 5 HHBDLO C[C@H]1C[C@@H]1CNC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000505770366 1001014465 /nfs/dbraw/zinc/01/44/65/1001014465.db2.gz AQUASGLOCMTRNA-JKSUJKDBSA-N 1 2 414.531 3.807 20 5 HHBDLO O=C(Nc1ccccc1O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000506136986 1001242300 /nfs/dbraw/zinc/24/23/00/1001242300.db2.gz NCBMCKPETSAECQ-UHFFFAOYSA-N 1 2 421.400 3.753 20 5 HHBDLO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000506267458 1001318525 /nfs/dbraw/zinc/31/85/25/1001318525.db2.gz FOMYJYMCXGSUEF-ALCCZGGFSA-N 1 2 401.894 3.958 20 5 HHBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCN(CCOc2ccccc2Cl)CC1 ZINC000506267458 1001318532 /nfs/dbraw/zinc/31/85/32/1001318532.db2.gz FOMYJYMCXGSUEF-ALCCZGGFSA-N 1 2 401.894 3.958 20 5 HHBDLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000497795281 1001515907 /nfs/dbraw/zinc/51/59/07/1001515907.db2.gz KXJRMFUZXDYEPY-UHFFFAOYSA-N 1 2 418.356 3.724 20 5 HHBDLO C[C@@H](c1cccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1)[NH+]1CCOCC1 ZINC000498278083 1001750802 /nfs/dbraw/zinc/75/08/02/1001750802.db2.gz TYCUYHNGBKBTOT-HNNXBMFYSA-N 1 2 406.442 3.789 20 5 HHBDLO C[N@@H+]1CC[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000507092237 1001802340 /nfs/dbraw/zinc/80/23/40/1001802340.db2.gz ZYLHFXMLXNLPAZ-XIKOKIGWSA-N 1 2 407.829 3.516 20 5 HHBDLO C[N@H+]1CC[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000507092237 1001802357 /nfs/dbraw/zinc/80/23/57/1001802357.db2.gz ZYLHFXMLXNLPAZ-XIKOKIGWSA-N 1 2 407.829 3.516 20 5 HHBDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc2)C1 ZINC000498854771 1002238770 /nfs/dbraw/zinc/23/87/70/1002238770.db2.gz UIHULYPXJGMJFH-ZWKOTPCHSA-N 1 2 424.284 3.703 20 5 HHBDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc2)C1 ZINC000498854771 1002238778 /nfs/dbraw/zinc/23/87/78/1002238778.db2.gz UIHULYPXJGMJFH-ZWKOTPCHSA-N 1 2 424.284 3.703 20 5 HHBDLO C[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000500267806 1003591806 /nfs/dbraw/zinc/59/18/06/1003591806.db2.gz PSQWHIGSLNKSAO-INIZCTEOSA-N 1 2 408.241 3.666 20 5 HHBDLO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000500267806 1003591813 /nfs/dbraw/zinc/59/18/13/1003591813.db2.gz PSQWHIGSLNKSAO-INIZCTEOSA-N 1 2 408.241 3.666 20 5 HHBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c(Cl)c1 ZINC000500558605 1003782397 /nfs/dbraw/zinc/78/23/97/1003782397.db2.gz BIGQBQYMIDBHQH-UHFFFAOYSA-N 1 2 424.910 3.502 20 5 HHBDLO COc1cccc(C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]2CCCO2)c1 ZINC000512083681 1004010623 /nfs/dbraw/zinc/01/06/23/1004010623.db2.gz LDOCPIBEXWHKPX-LJQANCHMSA-N 1 2 416.474 3.802 20 5 HHBDLO COc1cccc(C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]2CCCO2)c1 ZINC000512083681 1004010631 /nfs/dbraw/zinc/01/06/31/1004010631.db2.gz LDOCPIBEXWHKPX-LJQANCHMSA-N 1 2 416.474 3.802 20 5 HHBDLO O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000509987042 1004248042 /nfs/dbraw/zinc/24/80/42/1004248042.db2.gz OFTJUGHZYPHFSL-KRWDZBQOSA-N 1 2 422.441 3.981 20 5 HHBDLO COc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510604485 1004747696 /nfs/dbraw/zinc/74/76/96/1004747696.db2.gz ZLNXDCQSDNWYCK-FQEVSTJZSA-N 1 2 411.502 3.707 20 5 HHBDLO COc1ccc(C[N@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510604485 1004747702 /nfs/dbraw/zinc/74/77/02/1004747702.db2.gz ZLNXDCQSDNWYCK-FQEVSTJZSA-N 1 2 411.502 3.707 20 5 HHBDLO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCN(c2cccc[nH+]2)CC1 ZINC000502100856 1004903640 /nfs/dbraw/zinc/90/36/40/1004903640.db2.gz YBNRLGXIGAPSRI-UHFFFAOYSA-N 1 2 414.263 3.627 20 5 HHBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000511072340 1005006351 /nfs/dbraw/zinc/00/63/51/1005006351.db2.gz FIPZYXZRRPJSIY-IBGZPJMESA-N 1 2 422.441 3.633 20 5 HHBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000511072340 1005006359 /nfs/dbraw/zinc/00/63/59/1005006359.db2.gz FIPZYXZRRPJSIY-IBGZPJMESA-N 1 2 422.441 3.633 20 5 HHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000502370412 1005040764 /nfs/dbraw/zinc/04/07/64/1005040764.db2.gz VWSDOESWCMCJMC-OXJNMPFZSA-N 1 2 415.515 3.513 20 5 HHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000502370412 1005040767 /nfs/dbraw/zinc/04/07/67/1005040767.db2.gz VWSDOESWCMCJMC-OXJNMPFZSA-N 1 2 415.515 3.513 20 5 HHBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513988348 1005215745 /nfs/dbraw/zinc/21/57/45/1005215745.db2.gz XHYVEEQJOCABHP-ACJLOTCBSA-N 1 2 405.907 3.902 20 5 HHBDLO CN(C)[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000514099187 1005264877 /nfs/dbraw/zinc/26/48/77/1005264877.db2.gz MAHVIXRDXPOQQS-VQTJNVASSA-N 1 2 413.909 3.964 20 5 HHBDLO CC(=O)NCC[N@H+](Cc1ccc(Br)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000503192716 1005365789 /nfs/dbraw/zinc/36/57/89/1005365789.db2.gz XAGHCOBGLHYXJG-UHFFFAOYSA-N 1 2 412.309 3.557 20 5 HHBDLO CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000503192716 1005365792 /nfs/dbraw/zinc/36/57/92/1005365792.db2.gz XAGHCOBGLHYXJG-UHFFFAOYSA-N 1 2 412.309 3.557 20 5 HHBDLO Cc1ccc(NC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000515113647 1006298191 /nfs/dbraw/zinc/29/81/91/1006298191.db2.gz SOQUYSUSIDUYPL-UHFFFAOYSA-N 1 2 418.881 3.785 20 5 HHBDLO Cn1cc(C[N@@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000515407322 1006444496 /nfs/dbraw/zinc/44/44/96/1006444496.db2.gz JKDQTZAORXTZOT-SFHVURJKSA-N 1 2 412.412 3.927 20 5 HHBDLO Cn1cc(C[N@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000515407322 1006444506 /nfs/dbraw/zinc/44/45/06/1006444506.db2.gz JKDQTZAORXTZOT-SFHVURJKSA-N 1 2 412.412 3.927 20 5 HHBDLO C[C@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000531859023 1006480879 /nfs/dbraw/zinc/48/08/79/1006480879.db2.gz VQEMDAXIXJJGKI-STQMWFEESA-N 1 2 414.853 3.507 20 5 HHBDLO CS[C@H](C)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000515483862 1006495468 /nfs/dbraw/zinc/49/54/68/1006495468.db2.gz LMTIAVMVWKCXIS-CQSZACIVSA-N 1 2 405.545 3.719 20 5 HHBDLO Cc1c(NC(=O)[C@@H](C)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000538783125 1007064830 /nfs/dbraw/zinc/06/48/30/1007064830.db2.gz ACDRXWMMFGJEFA-IAGOWNOFSA-N 1 2 414.481 3.748 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000532668555 1007084353 /nfs/dbraw/zinc/08/43/53/1007084353.db2.gz SMPWYIRZWZDVKF-UHFFFAOYSA-N 1 2 418.881 3.997 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000532668555 1007084369 /nfs/dbraw/zinc/08/43/69/1007084369.db2.gz SMPWYIRZWZDVKF-UHFFFAOYSA-N 1 2 418.881 3.997 20 5 HHBDLO O=C(C[NH+]1CCC(c2c[nH]c3ncccc23)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000532708159 1007122369 /nfs/dbraw/zinc/12/23/69/1007122369.db2.gz CFJPTRQEEGBCAT-UHFFFAOYSA-N 1 2 413.865 3.943 20 5 HHBDLO O=C1[C@H]([NH+]2CCC(Oc3ccc(F)cc3F)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000532919224 1007292198 /nfs/dbraw/zinc/29/21/98/1007292198.db2.gz PXDFYIBGXHILKP-LJQANCHMSA-N 1 2 417.412 3.522 20 5 HHBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(OC3CCC(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000532961685 1007329727 /nfs/dbraw/zinc/32/97/27/1007329727.db2.gz UOZMZROJKOVNTH-UHFFFAOYSA-N 1 2 419.522 3.992 20 5 HHBDLO COc1ccc(NC(=O)C[NH+]2CCC(Cc3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000533024094 1007384753 /nfs/dbraw/zinc/38/47/53/1007384753.db2.gz GETMDDOWLGWHDH-UHFFFAOYSA-N 1 2 401.438 3.636 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000539125804 1007415762 /nfs/dbraw/zinc/41/57/62/1007415762.db2.gz JDYWLSMJTXASHV-PKOBYXMFSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000539125804 1007415767 /nfs/dbraw/zinc/41/57/67/1007415767.db2.gz JDYWLSMJTXASHV-PKOBYXMFSA-N 1 2 421.856 3.961 20 5 HHBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533173759 1007517147 /nfs/dbraw/zinc/51/71/47/1007517147.db2.gz PIDHSAUZJZOFKQ-PKOBYXMFSA-N 1 2 420.872 3.974 20 5 HHBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533173759 1007517151 /nfs/dbraw/zinc/51/71/51/1007517151.db2.gz PIDHSAUZJZOFKQ-PKOBYXMFSA-N 1 2 420.872 3.974 20 5 HHBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000533240054 1007560902 /nfs/dbraw/zinc/56/09/02/1007560902.db2.gz FXZPWNFOJDMABT-ZDUSSCGKSA-N 1 2 405.401 3.743 20 5 HHBDLO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)ccc2NC1=O ZINC000539294131 1007591063 /nfs/dbraw/zinc/59/10/63/1007591063.db2.gz HPZDNWHQFZKYDD-SJCJKPOMSA-N 1 2 423.429 3.605 20 5 HHBDLO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533379834 1007692854 /nfs/dbraw/zinc/69/28/54/1007692854.db2.gz CKZVNUBORUAQGM-QWHCGFSZSA-N 1 2 423.395 3.522 20 5 HHBDLO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533379834 1007692859 /nfs/dbraw/zinc/69/28/59/1007692859.db2.gz CKZVNUBORUAQGM-QWHCGFSZSA-N 1 2 423.395 3.522 20 5 HHBDLO COc1ccc(CC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000533682244 1008004094 /nfs/dbraw/zinc/00/40/94/1008004094.db2.gz QLQRDUSBHJJGEL-UZLBHIALSA-N 1 2 421.856 3.500 20 5 HHBDLO COc1ccc(CC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000533682244 1008004106 /nfs/dbraw/zinc/00/41/06/1008004106.db2.gz QLQRDUSBHJJGEL-UZLBHIALSA-N 1 2 421.856 3.500 20 5 HHBDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000539827328 1008121862 /nfs/dbraw/zinc/12/18/62/1008121862.db2.gz QPPKXVSSFFKPMG-CVEARBPZSA-N 1 2 405.520 3.616 20 5 HHBDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000539827328 1008121867 /nfs/dbraw/zinc/12/18/67/1008121867.db2.gz QPPKXVSSFFKPMG-CVEARBPZSA-N 1 2 405.520 3.616 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCN(CC(F)(F)C(F)F)CC3)o2)c1 ZINC000539828096 1008122000 /nfs/dbraw/zinc/12/20/00/1008122000.db2.gz HAYJWUWJDBNRPC-UHFFFAOYSA-N 1 2 401.360 3.873 20 5 HHBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533874605 1008173645 /nfs/dbraw/zinc/17/36/45/1008173645.db2.gz DJNRSJIWLCGHNS-UHFFFAOYSA-N 1 2 401.492 3.627 20 5 HHBDLO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518934012 1008478625 /nfs/dbraw/zinc/47/86/25/1008478625.db2.gz BEKXDDUREURXSL-INIZCTEOSA-N 1 2 421.856 3.547 20 5 HHBDLO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518934012 1008478630 /nfs/dbraw/zinc/47/86/30/1008478630.db2.gz BEKXDDUREURXSL-INIZCTEOSA-N 1 2 421.856 3.547 20 5 HHBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000545932713 1009005269 /nfs/dbraw/zinc/00/52/69/1009005269.db2.gz LOJFSVDZIYHWDY-PIGZYNQJSA-N 1 2 414.384 3.731 20 5 HHBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)c1 ZINC000519941422 1009094338 /nfs/dbraw/zinc/09/43/38/1009094338.db2.gz WXANAYLCCLKBOC-SFHVURJKSA-N 1 2 407.264 3.810 20 5 HHBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)c1 ZINC000519941422 1009094354 /nfs/dbraw/zinc/09/43/54/1009094354.db2.gz WXANAYLCCLKBOC-SFHVURJKSA-N 1 2 407.264 3.810 20 5 HHBDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000549749946 1009368510 /nfs/dbraw/zinc/36/85/10/1009368510.db2.gz RNVFMOXJCMCEJK-UHFFFAOYSA-N 1 2 408.483 3.506 20 5 HHBDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000549749946 1009368520 /nfs/dbraw/zinc/36/85/20/1009368520.db2.gz RNVFMOXJCMCEJK-UHFFFAOYSA-N 1 2 408.483 3.506 20 5 HHBDLO Cc1cccn2cc(Cc3noc(-c4cc(Br)cc([N+](=O)[O-])c4)n3)[nH+]c12 ZINC000546385688 1009393818 /nfs/dbraw/zinc/39/38/18/1009393818.db2.gz DJEAZLXYIJKUNZ-UHFFFAOYSA-N 1 2 414.219 3.954 20 5 HHBDLO O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@@H]4C[N@H+](Cc5ccccc5)CCO4)n3)c2c1 ZINC000546490239 1009509736 /nfs/dbraw/zinc/50/97/36/1009509736.db2.gz WUJVBLGRZIDHAF-FQEVSTJZSA-N 1 2 419.441 3.623 20 5 HHBDLO O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@@H]4C[N@@H+](Cc5ccccc5)CCO4)n3)c2c1 ZINC000546490239 1009509748 /nfs/dbraw/zinc/50/97/48/1009509748.db2.gz WUJVBLGRZIDHAF-FQEVSTJZSA-N 1 2 419.441 3.623 20 5 HHBDLO C[C@H](NC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000520379894 1009516345 /nfs/dbraw/zinc/51/63/45/1009516345.db2.gz SXESIMJYTMVZLY-HOCLYGCPSA-N 1 2 418.444 3.898 20 5 HHBDLO C[C@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000520379894 1009516349 /nfs/dbraw/zinc/51/63/49/1009516349.db2.gz SXESIMJYTMVZLY-HOCLYGCPSA-N 1 2 418.444 3.898 20 5 HHBDLO C[C@@H](Nc1ccc(-c2nc(Cc3c[nH+]cn3C)no2)cc1[N+](=O)[O-])c1ccccn1 ZINC000546551092 1009573396 /nfs/dbraw/zinc/57/33/96/1009573396.db2.gz UHPQQARSBZZXMO-CYBMUJFWSA-N 1 2 405.418 3.537 20 5 HHBDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000520518779 1009608147 /nfs/dbraw/zinc/60/81/47/1009608147.db2.gz HTDQYIHUKRLZSX-UHFFFAOYSA-N 1 2 414.487 3.984 20 5 HHBDLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccco1 ZINC000544449280 1010072148 /nfs/dbraw/zinc/07/21/48/1010072148.db2.gz MTWPYASKNWGXAA-WFASDCNBSA-N 1 2 416.459 3.616 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000547262311 1010208973 /nfs/dbraw/zinc/20/89/73/1010208973.db2.gz WKZKLHONVZFRJJ-OALUTQOASA-N 1 2 421.419 3.851 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000547262311 1010208981 /nfs/dbraw/zinc/20/89/81/1010208981.db2.gz WKZKLHONVZFRJJ-OALUTQOASA-N 1 2 421.419 3.851 20 5 HHBDLO Cc1cc(Br)cn2cc(CCNC(=O)c3cccc([N+](=O)[O-])c3C)[nH+]c12 ZINC000544708525 1010318448 /nfs/dbraw/zinc/31/84/48/1010318448.db2.gz USUBKQODRJZQEB-UHFFFAOYSA-N 1 2 417.263 3.594 20 5 HHBDLO Cn1c[nH+]cc1CCNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000547804156 1010432394 /nfs/dbraw/zinc/43/23/94/1010432394.db2.gz VDQISWIEBUUIPZ-UHFFFAOYSA-N 1 2 413.865 3.566 20 5 HHBDLO O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000522360252 1010956422 /nfs/dbraw/zinc/95/64/22/1010956422.db2.gz REJOCBCJCBNONN-UHFFFAOYSA-N 1 2 405.458 3.881 20 5 HHBDLO C[C@H]([C@H](C)NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[NH+]1CCOCC1 ZINC000522709774 1011171234 /nfs/dbraw/zinc/17/12/34/1011171234.db2.gz YLCYNCQOVCZBFU-JKSUJKDBSA-N 1 2 414.462 3.618 20 5 HHBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000536194804 1011337467 /nfs/dbraw/zinc/33/74/67/1011337467.db2.gz XUTIHFDCBWKRFF-SFHVURJKSA-N 1 2 409.364 3.694 20 5 HHBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000536194804 1011337482 /nfs/dbraw/zinc/33/74/82/1011337482.db2.gz XUTIHFDCBWKRFF-SFHVURJKSA-N 1 2 409.364 3.694 20 5 HHBDLO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CC(=O)Nc4ccc([N+](=O)[O-])cc4C)C3)nc2c1 ZINC000536470263 1011688213 /nfs/dbraw/zinc/68/82/13/1011688213.db2.gz AULGEWKAELBLHF-MRXNPFEDSA-N 1 2 407.474 3.906 20 5 HHBDLO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CC(=O)Nc4ccc([N+](=O)[O-])cc4C)C3)nc2c1 ZINC000536470263 1011688228 /nfs/dbraw/zinc/68/82/28/1011688228.db2.gz AULGEWKAELBLHF-MRXNPFEDSA-N 1 2 407.474 3.906 20 5 HHBDLO Cc1ccc2nc([C@@H]3CCC[N@H+](CC(=O)Nc4ccc([N+](=O)[O-])cc4C)C3)[nH]c2c1 ZINC000536470263 1011688243 /nfs/dbraw/zinc/68/82/43/1011688243.db2.gz AULGEWKAELBLHF-MRXNPFEDSA-N 1 2 407.474 3.906 20 5 HHBDLO Cc1ccc2nc([C@@H]3CCC[N@@H+](CC(=O)Nc4ccc([N+](=O)[O-])cc4C)C3)[nH]c2c1 ZINC000536470263 1011688252 /nfs/dbraw/zinc/68/82/52/1011688252.db2.gz AULGEWKAELBLHF-MRXNPFEDSA-N 1 2 407.474 3.906 20 5 HHBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3c(F)cccc3OC(F)(F)F)C2)nc1 ZINC000551806789 1011965705 /nfs/dbraw/zinc/96/57/05/1011965705.db2.gz UISIFSWEWBQBOP-NSHDSACASA-N 1 2 400.332 3.714 20 5 HHBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3c(F)cccc3OC(F)(F)F)C2)nc1 ZINC000551806789 1011965708 /nfs/dbraw/zinc/96/57/08/1011965708.db2.gz UISIFSWEWBQBOP-NSHDSACASA-N 1 2 400.332 3.714 20 5 HHBDLO COC[C@H]([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000537124789 1012506787 /nfs/dbraw/zinc/50/67/87/1012506787.db2.gz IATYDIZPNBDZSF-AWEZNQCLSA-N 1 2 418.343 3.960 20 5 HHBDLO CC(C)c1[nH]nc(C(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)c1[N+](=O)[O-] ZINC000552919691 1012918310 /nfs/dbraw/zinc/91/83/10/1012918310.db2.gz FNQSGJRLCSRQLI-UHFFFAOYSA-N 1 2 406.446 3.651 20 5 HHBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+](C)Cc1cccc(O)c1 ZINC000533309934 1071847666 /nfs/dbraw/zinc/84/76/66/1071847666.db2.gz IGORRKPTCPHXCD-CYBMUJFWSA-N 1 2 412.471 3.883 20 5 HHBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+](C)Cc1cccc(O)c1 ZINC000533309934 1071847682 /nfs/dbraw/zinc/84/76/82/1071847682.db2.gz IGORRKPTCPHXCD-CYBMUJFWSA-N 1 2 412.471 3.883 20 5 HHBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000587045285 1072508797 /nfs/dbraw/zinc/50/87/97/1072508797.db2.gz LDVXEZHCHJNGND-HNNXBMFYSA-N 1 2 412.833 3.982 20 5 HHBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000571807354 1072858858 /nfs/dbraw/zinc/85/88/58/1072858858.db2.gz YMBHCXMLMJNDRE-UHFFFAOYSA-N 1 2 404.348 3.788 20 5 HHBDLO O=C(OCc1coc(-c2ccc(F)cc2)n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000899879551 1073921460 /nfs/dbraw/zinc/92/14/60/1073921460.db2.gz GGRQHZMVBGQPQU-UHFFFAOYSA-N 1 2 408.345 3.932 20 5 HHBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000761121741 1075482498 /nfs/dbraw/zinc/48/24/98/1075482498.db2.gz YQSDPMSHNKQOAJ-CYBMUJFWSA-N 1 2 403.870 3.547 20 5 HHBDLO CN1CC[NH+](C[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000301172602 970786152 /nfs/dbraw/zinc/78/61/52/970786152.db2.gz UZCHDVXUOVTECB-GOSISDBHSA-N 1 2 419.323 3.758 20 5 HHBDLO Cc1cnc(Sc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000301452354 970935822 /nfs/dbraw/zinc/93/58/22/970935822.db2.gz QSDDMYUTXXZSNM-LBPRGKRZSA-N 1 2 402.455 3.792 20 5 HHBDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301481245 970951442 /nfs/dbraw/zinc/95/14/42/970951442.db2.gz YULBPOZBPRTLNI-CYBMUJFWSA-N 1 2 413.865 3.780 20 5 HHBDLO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000301933518 971122459 /nfs/dbraw/zinc/12/24/59/971122459.db2.gz NOEUPALUOZYQHD-ZDUSSCGKSA-N 1 2 409.533 3.697 20 5 HHBDLO C[C@H]1C[C@@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000301935784 971123788 /nfs/dbraw/zinc/12/37/88/971123788.db2.gz PNFRNXWJKMZHKB-ZFWWWQNUSA-N 1 2 409.533 3.525 20 5 HHBDLO C[C@H]1C[C@@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000301935784 971123792 /nfs/dbraw/zinc/12/37/92/971123792.db2.gz PNFRNXWJKMZHKB-ZFWWWQNUSA-N 1 2 409.533 3.525 20 5 HHBDLO CC(=O)N(Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1)C(C)C ZINC000303622917 971906035 /nfs/dbraw/zinc/90/60/35/971906035.db2.gz DNYNLONEABBCTL-UHFFFAOYSA-N 1 2 421.457 3.790 20 5 HHBDLO C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000303666394 971945605 /nfs/dbraw/zinc/94/56/05/971945605.db2.gz FIOFAPNGOTYALL-CHWSQXEVSA-N 1 2 402.405 3.982 20 5 HHBDLO C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000303666394 971945609 /nfs/dbraw/zinc/94/56/09/971945609.db2.gz FIOFAPNGOTYALL-CHWSQXEVSA-N 1 2 402.405 3.982 20 5 HHBDLO Cn1c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc2cc(C(F)(F)F)ccc21 ZINC000537633060 1013186635 /nfs/dbraw/zinc/18/66/35/1013186635.db2.gz FJPNRXLQHGPUKE-ZDUSSCGKSA-N 1 2 420.395 3.582 20 5 HHBDLO Cn1c(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc2cc(C(F)(F)F)ccc21 ZINC000537633060 1013186649 /nfs/dbraw/zinc/18/66/49/1013186649.db2.gz FJPNRXLQHGPUKE-ZDUSSCGKSA-N 1 2 420.395 3.582 20 5 HHBDLO COc1cc(C)c(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000007452727 961196504 /nfs/dbraw/zinc/19/65/04/961196504.db2.gz XODMHKSNGSDQCT-UHFFFAOYSA-N 1 2 407.854 3.644 20 5 HHBDLO COc1cc(C)c(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000007452727 961196517 /nfs/dbraw/zinc/19/65/17/961196517.db2.gz XODMHKSNGSDQCT-UHFFFAOYSA-N 1 2 407.854 3.644 20 5 HHBDLO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000008004263 961397066 /nfs/dbraw/zinc/39/70/66/961397066.db2.gz RMHFRUBGEPIJOZ-UHFFFAOYSA-N 1 2 416.865 3.537 20 5 HHBDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] ZINC000012393116 962275442 /nfs/dbraw/zinc/27/54/42/962275442.db2.gz XTPZZOOWRJGTHK-UHFFFAOYSA-N 1 2 407.392 3.880 20 5 HHBDLO CCOC(=O)/C=C/c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000018239495 963296262 /nfs/dbraw/zinc/29/62/62/963296262.db2.gz YEXXCTRZBGHIOO-BJMVGYQFSA-N 1 2 406.398 3.609 20 5 HHBDLO COc1ccc(C[N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC(F)F ZINC000026452643 964568706 /nfs/dbraw/zinc/56/87/06/964568706.db2.gz MXICHARULWLDGC-UHFFFAOYSA-N 1 2 420.372 3.887 20 5 HHBDLO COc1ccc(C[N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC(F)F ZINC000026452643 964568716 /nfs/dbraw/zinc/56/87/16/964568716.db2.gz MXICHARULWLDGC-UHFFFAOYSA-N 1 2 420.372 3.887 20 5 HHBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000027915533 964997999 /nfs/dbraw/zinc/99/79/99/964997999.db2.gz SEGHUWZLEGNRES-UHFFFAOYSA-N 1 2 416.909 3.662 20 5 HHBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000027915533 964998007 /nfs/dbraw/zinc/99/80/07/964998007.db2.gz SEGHUWZLEGNRES-UHFFFAOYSA-N 1 2 416.909 3.662 20 5 HHBDLO O=C(C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000052865567 965005370 /nfs/dbraw/zinc/00/53/70/965005370.db2.gz HHQVJNBJQYUWKC-QGZVFWFLSA-N 1 2 403.866 3.868 20 5 HHBDLO O=C(C[N@H+](Cc1ccccc1)C[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000052865567 965005380 /nfs/dbraw/zinc/00/53/80/965005380.db2.gz HHQVJNBJQYUWKC-QGZVFWFLSA-N 1 2 403.866 3.868 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000542615115 1013550707 /nfs/dbraw/zinc/55/07/07/1013550707.db2.gz PJLDUDMUMQHFDT-ZDUSSCGKSA-N 1 2 417.466 3.714 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000542623600 1013560437 /nfs/dbraw/zinc/56/04/37/1013560437.db2.gz WKWKIEDSVIZTEQ-HNNXBMFYSA-N 1 2 409.446 3.556 20 5 HHBDLO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000029843570 965522505 /nfs/dbraw/zinc/52/25/05/965522505.db2.gz MEIQHFHBXVFJBK-UHFFFAOYSA-N 1 2 413.428 3.518 20 5 HHBDLO COc1cccc(N2CC[NH+](Cc3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000030964152 965842536 /nfs/dbraw/zinc/84/25/36/965842536.db2.gz ZGWTUTNYQOYROT-UHFFFAOYSA-N 1 2 423.416 3.536 20 5 HHBDLO CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032040365 966181244 /nfs/dbraw/zinc/18/12/44/966181244.db2.gz MEMBEVFBSYXXDI-UHFFFAOYSA-N 1 2 400.822 3.585 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(OCc2ccccc2)CC1 ZINC000032243466 966203937 /nfs/dbraw/zinc/20/39/37/966203937.db2.gz RTYFHAQINJLXFD-UHFFFAOYSA-N 1 2 406.442 3.602 20 5 HHBDLO CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000033226297 966397266 /nfs/dbraw/zinc/39/72/66/966397266.db2.gz MPLZSZDTJDOSRM-GOSISDBHSA-N 1 2 422.441 3.593 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000553919517 1013701065 /nfs/dbraw/zinc/70/10/65/1013701065.db2.gz QREANXSWWJRYPG-DYESRHJHSA-N 1 2 419.428 3.512 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000553919517 1013701072 /nfs/dbraw/zinc/70/10/72/1013701072.db2.gz QREANXSWWJRYPG-DYESRHJHSA-N 1 2 419.428 3.512 20 5 HHBDLO O=C(c1cccc2ccccc21)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065533274 967509416 /nfs/dbraw/zinc/50/94/16/967509416.db2.gz POUPDWCDSBFEAN-UHFFFAOYSA-N 1 2 405.454 3.585 20 5 HHBDLO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[NH+](Cc2cccs2)CC1 ZINC000047864848 968346050 /nfs/dbraw/zinc/34/60/50/968346050.db2.gz OUKMMGHKBCAOAX-UHFFFAOYSA-N 1 2 412.418 3.607 20 5 HHBDLO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000069001785 968803924 /nfs/dbraw/zinc/80/39/24/968803924.db2.gz HQEVCIOODFXXRK-RMKNXTFCSA-N 1 2 420.513 3.666 20 5 HHBDLO Cc1cc(N2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000105134679 969222174 /nfs/dbraw/zinc/22/21/74/969222174.db2.gz USVGNAPSWGDKMB-UHFFFAOYSA-N 1 2 420.311 3.906 20 5 HHBDLO CN(C)C(=O)Sc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000111012737 969760134 /nfs/dbraw/zinc/76/01/34/969760134.db2.gz RGXPDDMZUBXSHM-UHFFFAOYSA-N 1 2 411.443 3.807 20 5 HHBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000216857530 970081512 /nfs/dbraw/zinc/08/15/12/970081512.db2.gz VIXQMDWMHJUSOO-MRXNPFEDSA-N 1 2 415.515 3.601 20 5 HHBDLO O=C(C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Nc1ccc(F)c(F)c1F ZINC000237846905 970379899 /nfs/dbraw/zinc/37/98/99/970379899.db2.gz VTCMKSLIZXZMET-UHFFFAOYSA-N 1 2 422.388 3.864 20 5 HHBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2c(Br)cncc2Br)cc1 ZINC000394558510 972866328 /nfs/dbraw/zinc/86/63/28/972866328.db2.gz HWPXCUICQURGBH-UHFFFAOYSA-N 1 2 401.058 3.805 20 5 HHBDLO CCOc1cc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c([N+](=O)[O-])cc1OCC ZINC000410176558 973671209 /nfs/dbraw/zinc/67/12/09/973671209.db2.gz LQQAIDNMWLWVGQ-UHFFFAOYSA-N 1 2 410.430 3.889 20 5 HHBDLO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410255380 973763165 /nfs/dbraw/zinc/76/31/65/973763165.db2.gz XDAKLYOCOOWRRJ-SFHVURJKSA-N 1 2 423.517 3.748 20 5 HHBDLO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410270329 973784168 /nfs/dbraw/zinc/78/41/68/973784168.db2.gz QXHDCEZENGWDAV-ZDUSSCGKSA-N 1 2 420.416 3.749 20 5 HHBDLO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410270270 973784708 /nfs/dbraw/zinc/78/47/08/973784708.db2.gz PVTFMXONQDGMOE-OAHLLOKOSA-N 1 2 405.458 3.696 20 5 HHBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410289240 973819391 /nfs/dbraw/zinc/81/93/91/973819391.db2.gz PCJJXFSCRZHEAO-MRXNPFEDSA-N 1 2 409.490 3.722 20 5 HHBDLO CSc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1[N+](=O)[O-] ZINC000410324392 973878150 /nfs/dbraw/zinc/87/81/50/973878150.db2.gz JPBVINSGFBVOAK-HNNXBMFYSA-N 1 2 400.504 3.869 20 5 HHBDLO CC(C)([NH2+]CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC000429237658 976528279 /nfs/dbraw/zinc/52/82/79/976528279.db2.gz PKUYULPRSKCXNS-UHFFFAOYSA-N 1 2 421.379 3.953 20 5 HHBDLO CCOC(=O)c1csc(C2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)n1 ZINC000429575045 976844168 /nfs/dbraw/zinc/84/41/68/976844168.db2.gz CDZNLAMWTKSCJT-UHFFFAOYSA-N 1 2 416.459 3.749 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000430208935 977393432 /nfs/dbraw/zinc/39/34/32/977393432.db2.gz VXWSNZYRHNGJLF-KRWDZBQOSA-N 1 2 409.442 3.744 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000430208935 977393442 /nfs/dbraw/zinc/39/34/42/977393442.db2.gz VXWSNZYRHNGJLF-KRWDZBQOSA-N 1 2 409.442 3.744 20 5 HHBDLO Cc1noc(C[C@@H]([NH2+][C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc2)n1 ZINC000431190819 978085298 /nfs/dbraw/zinc/08/52/98/978085298.db2.gz CHWSNVIUJQZGOM-FZKQIMNGSA-N 1 2 420.429 3.971 20 5 HHBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000433269053 979204058 /nfs/dbraw/zinc/20/40/58/979204058.db2.gz AOUAXHOOESYFQR-SFHVURJKSA-N 1 2 405.401 3.824 20 5 HHBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000433269053 979204067 /nfs/dbraw/zinc/20/40/67/979204067.db2.gz AOUAXHOOESYFQR-SFHVURJKSA-N 1 2 405.401 3.824 20 5 HHBDLO C[C@@H](Nc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000434293550 980053222 /nfs/dbraw/zinc/05/32/22/980053222.db2.gz PXBLTVDMOPFCAU-OAHLLOKOSA-N 1 2 420.473 3.906 20 5 HHBDLO C[C@@H](Nc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000434293550 980053234 /nfs/dbraw/zinc/05/32/34/980053234.db2.gz PXBLTVDMOPFCAU-OAHLLOKOSA-N 1 2 420.473 3.906 20 5 HHBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CCSC(C)(C)C1 ZINC000434894980 980475828 /nfs/dbraw/zinc/47/58/28/980475828.db2.gz JVTPKFNKHSOBAH-LBPRGKRZSA-N 1 2 406.533 3.873 20 5 HHBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CCSC(C)(C)C1 ZINC000434894980 980475830 /nfs/dbraw/zinc/47/58/30/980475830.db2.gz JVTPKFNKHSOBAH-LBPRGKRZSA-N 1 2 406.533 3.873 20 5 HHBDLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000434981572 980547708 /nfs/dbraw/zinc/54/77/08/980547708.db2.gz GVSYHVLBUFZMJY-UHFFFAOYSA-N 1 2 424.295 3.918 20 5 HHBDLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000434981572 980547711 /nfs/dbraw/zinc/54/77/11/980547711.db2.gz GVSYHVLBUFZMJY-UHFFFAOYSA-N 1 2 424.295 3.918 20 5 HHBDLO Cc1c(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435325968 980784688 /nfs/dbraw/zinc/78/46/88/980784688.db2.gz BKSZFWIBDBFHBB-MEDUHNTESA-N 1 2 422.283 3.977 20 5 HHBDLO COc1cccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c1[N+](=O)[O-] ZINC000435664600 980978592 /nfs/dbraw/zinc/97/85/92/980978592.db2.gz MZWXUTYZGUFUOG-UHFFFAOYSA-N 1 2 424.482 3.871 20 5 HHBDLO COc1cccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c1[N+](=O)[O-] ZINC000435664600 980978594 /nfs/dbraw/zinc/97/85/94/980978594.db2.gz MZWXUTYZGUFUOG-UHFFFAOYSA-N 1 2 424.482 3.871 20 5 HHBDLO O=C(c1ccc(O)cc1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000436693906 981517171 /nfs/dbraw/zinc/51/71/71/981517171.db2.gz FGWQZUWAVMSMOR-UHFFFAOYSA-N 1 2 423.494 3.987 20 5 HHBDLO Cc1c(CC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cccc1[N+](=O)[O-] ZINC000438983837 983195118 /nfs/dbraw/zinc/19/51/18/983195118.db2.gz IJMJJYUTAUCCIY-MRXNPFEDSA-N 1 2 403.429 3.505 20 5 HHBDLO Cc1c(CC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cccc1[N+](=O)[O-] ZINC000438983837 983195122 /nfs/dbraw/zinc/19/51/22/983195122.db2.gz IJMJJYUTAUCCIY-MRXNPFEDSA-N 1 2 403.429 3.505 20 5 HHBDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000440094050 983641779 /nfs/dbraw/zinc/64/17/79/983641779.db2.gz BDKUDXYUULEGSM-VGSWGCGISA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000440094050 983641782 /nfs/dbraw/zinc/64/17/82/983641782.db2.gz BDKUDXYUULEGSM-VGSWGCGISA-N 1 2 410.518 3.979 20 5 HHBDLO O=C(C[N@@H+](CCCO)Cc1cccc(Cl)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000441086799 984062103 /nfs/dbraw/zinc/06/21/03/984062103.db2.gz OBGJMWVZYVKEGH-UHFFFAOYSA-N 1 2 412.273 3.725 20 5 HHBDLO O=C(C[N@H+](CCCO)Cc1cccc(Cl)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000441086799 984062109 /nfs/dbraw/zinc/06/21/09/984062109.db2.gz OBGJMWVZYVKEGH-UHFFFAOYSA-N 1 2 412.273 3.725 20 5 HHBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000462007548 984987152 /nfs/dbraw/zinc/98/71/52/984987152.db2.gz RPFQUZCLBBZPOE-UHFFFAOYSA-N 1 2 405.458 3.714 20 5 HHBDLO CCOCC[NH+]1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 ZINC000442741653 985198192 /nfs/dbraw/zinc/19/81/92/985198192.db2.gz YDWXYKIPXVCUFO-UHFFFAOYSA-N 1 2 415.515 3.540 20 5 HHBDLO COC(=O)c1ccc(C(C)C)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000468182173 985864842 /nfs/dbraw/zinc/86/48/42/985864842.db2.gz GSLWNTJCVVUAJS-UHFFFAOYSA-N 1 2 408.414 3.943 20 5 HHBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000463097514 986056820 /nfs/dbraw/zinc/05/68/20/986056820.db2.gz JRQJONVLNVSERX-GFCCVEGCSA-N 1 2 424.320 3.938 20 5 HHBDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463142473 986111362 /nfs/dbraw/zinc/11/13/62/986111362.db2.gz LWUOTZCNDBIYQP-UHFFFAOYSA-N 1 2 409.364 3.698 20 5 HHBDLO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H](C(N)=O)c1cccc(Br)c1 ZINC000468471930 986165481 /nfs/dbraw/zinc/16/54/81/986165481.db2.gz YUSWYIADRSXWOY-AFCDSYGPSA-N 1 2 404.264 3.529 20 5 HHBDLO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H](C(N)=O)c1cccc(Br)c1 ZINC000468471930 986165483 /nfs/dbraw/zinc/16/54/83/986165483.db2.gz YUSWYIADRSXWOY-AFCDSYGPSA-N 1 2 404.264 3.529 20 5 HHBDLO Cc1cc(S(=O)(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)ccc1[N+](=O)[O-] ZINC000444029639 986224927 /nfs/dbraw/zinc/22/49/27/986224927.db2.gz JFIUVGHSVOPUES-UHFFFAOYSA-N 1 2 421.544 3.561 20 5 HHBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463410202 986379235 /nfs/dbraw/zinc/37/92/35/986379235.db2.gz IJBNMMBFFHRBLG-UHFFFAOYSA-N 1 2 404.348 3.788 20 5 HHBDLO O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000444229976 986416625 /nfs/dbraw/zinc/41/66/25/986416625.db2.gz WVECLLNNYDADFC-OAHLLOKOSA-N 1 2 421.403 3.648 20 5 HHBDLO O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000444230592 986417811 /nfs/dbraw/zinc/41/78/11/986417811.db2.gz YWKQGFIIAXHWGR-OAHLLOKOSA-N 1 2 403.413 3.509 20 5 HHBDLO O=C(Nc1ccc(Nc2ncccn2)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000444615323 986801049 /nfs/dbraw/zinc/80/10/49/986801049.db2.gz ADQBVBBCFMJOTA-UHFFFAOYSA-N 1 2 401.386 3.566 20 5 HHBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000444662735 986844925 /nfs/dbraw/zinc/84/49/25/986844925.db2.gz WUJANHADCJUABL-LJQANCHMSA-N 1 2 419.485 3.960 20 5 HHBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000444662734 986845516 /nfs/dbraw/zinc/84/55/16/986845516.db2.gz WUJANHADCJUABL-IBGZPJMESA-N 1 2 419.485 3.960 20 5 HHBDLO COc1cc(N[C@@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)cc(OC)c1 ZINC000444664329 986847874 /nfs/dbraw/zinc/84/78/74/986847874.db2.gz NKMOVHCXCCEXFX-CQSZACIVSA-N 1 2 411.462 3.565 20 5 HHBDLO COc1cc(N[C@@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)cc(OC)c1 ZINC000444664329 986847885 /nfs/dbraw/zinc/84/78/85/986847885.db2.gz NKMOVHCXCCEXFX-CQSZACIVSA-N 1 2 411.462 3.565 20 5 HHBDLO CC1CCN(c2ccc(C(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)cc2[N+](=O)[O-])CC1 ZINC000444673967 986856135 /nfs/dbraw/zinc/85/61/35/986856135.db2.gz JVSOOAHNRIOGHC-SFHVURJKSA-N 1 2 411.506 3.584 20 5 HHBDLO COc1ccccc1[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[NH+](C)C ZINC000444825723 986981261 /nfs/dbraw/zinc/98/12/61/986981261.db2.gz CVOSOLOEHHMBKF-OAQYLSRUSA-N 1 2 415.493 3.723 20 5 HHBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000469971612 987589310 /nfs/dbraw/zinc/58/93/10/987589310.db2.gz GDIBNRJXESLVEW-UHFFFAOYSA-N 1 2 423.311 3.977 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)Cc3c[nH+]cn3Cc3ccccc3)co2)cc1 ZINC000445541667 987597203 /nfs/dbraw/zinc/59/72/03/987597203.db2.gz RHLGQBXNDWKDRC-SSEXGKCCSA-N 1 2 422.466 3.944 20 5 HHBDLO CC(C)CCSc1ccc(C(=O)N2CC[NH+](CCOC(C)C)CC2)cc1[N+](=O)[O-] ZINC000470212821 988137887 /nfs/dbraw/zinc/13/78/87/988137887.db2.gz CCUILHZBNNSMFT-UHFFFAOYSA-N 1 2 423.579 3.916 20 5 HHBDLO Cc1c(C[N@@H+]2CCN(C(=O)Cc3cccc(Cl)c3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000464761863 988984547 /nfs/dbraw/zinc/98/45/47/988984547.db2.gz HEHPLLWHAGXUNL-OAHLLOKOSA-N 1 2 401.894 3.832 20 5 HHBDLO Cc1c(C[N@H+]2CCN(C(=O)Cc3cccc(Cl)c3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000464761863 988984555 /nfs/dbraw/zinc/98/45/55/988984555.db2.gz HEHPLLWHAGXUNL-OAHLLOKOSA-N 1 2 401.894 3.832 20 5 HHBDLO COc1ccc(C)cc1NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464783850 989012820 /nfs/dbraw/zinc/01/28/20/989012820.db2.gz RNVSLZAODHIMPK-INIZCTEOSA-N 1 2 413.474 3.782 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCN(CC2CC2)c2ccccc21 ZINC000465356249 989705479 /nfs/dbraw/zinc/70/54/79/989705479.db2.gz NWMIESOTIIIWJT-UHFFFAOYSA-N 1 2 403.442 3.657 20 5 HHBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000466016961 991183664 /nfs/dbraw/zinc/18/36/64/991183664.db2.gz LPXNXSACNPNMDS-UHFFFAOYSA-N 1 2 421.457 3.534 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000472457117 993459267 /nfs/dbraw/zinc/45/92/67/993459267.db2.gz TZYBFKTUWMRLTE-UHFFFAOYSA-N 1 2 402.398 3.839 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000472457117 993459270 /nfs/dbraw/zinc/45/92/70/993459270.db2.gz TZYBFKTUWMRLTE-UHFFFAOYSA-N 1 2 402.398 3.839 20 5 HHBDLO COc1cccc(C=C2CC[NH+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)c1 ZINC000473009167 993934179 /nfs/dbraw/zinc/93/41/79/993934179.db2.gz FYQSSYFKLOJEAT-JOCHJYFZSA-N 1 2 407.470 3.888 20 5 HHBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000473195846 994058771 /nfs/dbraw/zinc/05/87/71/994058771.db2.gz MBNUTUQWOQDUHR-INIZCTEOSA-N 1 2 413.421 3.565 20 5 HHBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000473195846 994058778 /nfs/dbraw/zinc/05/87/78/994058778.db2.gz MBNUTUQWOQDUHR-INIZCTEOSA-N 1 2 413.421 3.565 20 5 HHBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000481595115 994442111 /nfs/dbraw/zinc/44/21/11/994442111.db2.gz JPAPNFPOWVVVCH-UHFFFAOYSA-N 1 2 419.485 3.712 20 5 HHBDLO COc1ccc(OC)c(C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000474180311 995169859 /nfs/dbraw/zinc/16/98/59/995169859.db2.gz UUIZSRKKCJZNGB-UHFFFAOYSA-N 1 2 401.463 3.851 20 5 HHBDLO COc1ccc(OC)c(C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000474180311 995169863 /nfs/dbraw/zinc/16/98/63/995169863.db2.gz UUIZSRKKCJZNGB-UHFFFAOYSA-N 1 2 401.463 3.851 20 5 HHBDLO O=C(NCc1ccccc1N1CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000482364684 995345725 /nfs/dbraw/zinc/34/57/25/995345725.db2.gz NQUORPIXKSTZEE-UHFFFAOYSA-N 1 2 405.458 3.701 20 5 HHBDLO CC1(C)C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@]2(CCCOC2)O1 ZINC000482456100 995457522 /nfs/dbraw/zinc/45/75/22/995457522.db2.gz HMUUELJYLCOIIF-HXUWFJFHSA-N 1 2 403.504 3.878 20 5 HHBDLO CC1(C)C[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@]2(CCCOC2)O1 ZINC000482456100 995457529 /nfs/dbraw/zinc/45/75/29/995457529.db2.gz HMUUELJYLCOIIF-HXUWFJFHSA-N 1 2 403.504 3.878 20 5 HHBDLO CCn1nccc1C[N@H+](CCO)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000475509904 996190408 /nfs/dbraw/zinc/19/04/08/996190408.db2.gz HNXXJSBXRLPTNN-UHFFFAOYSA-N 1 2 409.490 3.574 20 5 HHBDLO CCn1nccc1C[N@@H+](CCO)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000475509904 996190410 /nfs/dbraw/zinc/19/04/10/996190410.db2.gz HNXXJSBXRLPTNN-UHFFFAOYSA-N 1 2 409.490 3.574 20 5 HHBDLO COc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000476463661 996938281 /nfs/dbraw/zinc/93/82/81/996938281.db2.gz SJRLJULGDPBZNG-NVXWUHKLSA-N 1 2 407.829 3.571 20 5 HHBDLO COc1c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000476463661 996938314 /nfs/dbraw/zinc/93/83/14/996938314.db2.gz SJRLJULGDPBZNG-NVXWUHKLSA-N 1 2 407.829 3.571 20 5 HHBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000485885550 998340571 /nfs/dbraw/zinc/34/05/71/998340571.db2.gz VCGFMTUXXFLJPW-ZDUSSCGKSA-N 1 2 404.492 3.934 20 5 HHBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000485885550 998340581 /nfs/dbraw/zinc/34/05/81/998340581.db2.gz VCGFMTUXXFLJPW-ZDUSSCGKSA-N 1 2 404.492 3.934 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@H+](C)[C@H]2CCCc3nc(CC)sc32)c([N+](=O)[O-])c1 ZINC000478047512 998734260 /nfs/dbraw/zinc/73/42/60/998734260.db2.gz QPOJYMXZEPPQIH-INIZCTEOSA-N 1 2 418.519 3.960 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCCc3nc(CC)sc32)c([N+](=O)[O-])c1 ZINC000478047512 998734264 /nfs/dbraw/zinc/73/42/64/998734264.db2.gz QPOJYMXZEPPQIH-INIZCTEOSA-N 1 2 418.519 3.960 20 5 HHBDLO O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000478059395 998741631 /nfs/dbraw/zinc/74/16/31/998741631.db2.gz FKKXYXYZXBWXCK-UHFFFAOYSA-N 1 2 419.466 3.877 20 5 HHBDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000487305592 999129630 /nfs/dbraw/zinc/12/96/30/999129630.db2.gz DGCDYZYQODOTGV-UHFFFAOYSA-N 1 2 423.473 3.505 20 5 HHBDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000487315826 999133238 /nfs/dbraw/zinc/13/32/38/999133238.db2.gz YZAZWAAIBYKWTD-UHFFFAOYSA-N 1 2 423.473 3.505 20 5 HHBDLO CC(C)(NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000488171339 999401307 /nfs/dbraw/zinc/40/13/07/999401307.db2.gz YDWHQETVJBLFCU-UHFFFAOYSA-N 1 2 407.474 3.617 20 5 HHBDLO NC(=O)[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccc(Br)c1 ZINC000479483190 999437667 /nfs/dbraw/zinc/43/76/67/999437667.db2.gz LXSDVSBAUXQACO-SJORKVTESA-N 1 2 404.264 3.551 20 5 HHBDLO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1([NH+]2CCOCC2)CCCC1 ZINC000479811176 999606461 /nfs/dbraw/zinc/60/64/61/999606461.db2.gz ZJALIDHRBBJNNX-AWEZNQCLSA-N 1 2 403.504 3.573 20 5 HHBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000488887535 999637296 /nfs/dbraw/zinc/63/72/96/999637296.db2.gz SWBRKQZJLYLBNN-CVEARBPZSA-N 1 2 415.515 3.585 20 5 HHBDLO CCC(=O)c1ccc(NCc2ccccc2OCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000479947079 999658663 /nfs/dbraw/zinc/65/86/63/999658663.db2.gz NSLFLDBSEBOGPA-UHFFFAOYSA-N 1 2 413.474 3.511 20 5 HHBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000489015244 999672276 /nfs/dbraw/zinc/67/22/76/999672276.db2.gz PQOXQDPSQVWBJT-CZUORRHYSA-N 1 2 413.409 3.783 20 5 HHBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000489015244 999672280 /nfs/dbraw/zinc/67/22/80/999672280.db2.gz PQOXQDPSQVWBJT-CZUORRHYSA-N 1 2 413.409 3.783 20 5 HHBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)no1 ZINC000480209232 999746159 /nfs/dbraw/zinc/74/61/59/999746159.db2.gz MHYUZACUCFTAJT-CYBMUJFWSA-N 1 2 413.400 3.796 20 5 HHBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)no1 ZINC000480209232 999746161 /nfs/dbraw/zinc/74/61/61/999746161.db2.gz MHYUZACUCFTAJT-CYBMUJFWSA-N 1 2 413.400 3.796 20 5 HHBDLO O=C1[C@@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCCN1c1ccccc1F ZINC000489335601 999748044 /nfs/dbraw/zinc/74/80/44/999748044.db2.gz YLPLPURTBDFWAT-NRFANRHFSA-N 1 2 413.449 3.773 20 5 HHBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N[C@@H](c1nccs1)c1ccccc1 ZINC000490052266 999885667 /nfs/dbraw/zinc/88/56/67/999885667.db2.gz FJUQUDMSPGVYOK-OAQYLSRUSA-N 1 2 422.510 3.922 20 5 HHBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N[C@@H](c1nccs1)c1ccccc1 ZINC000490052266 999885669 /nfs/dbraw/zinc/88/56/69/999885669.db2.gz FJUQUDMSPGVYOK-OAQYLSRUSA-N 1 2 422.510 3.922 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000490054554 999886140 /nfs/dbraw/zinc/88/61/40/999886140.db2.gz CPZIXVAVWQIXPD-IUCAKERBSA-N 1 2 418.397 3.757 20 5 HHBDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000490080690 999890191 /nfs/dbraw/zinc/89/01/91/999890191.db2.gz POYKFZWKRUFTCG-QGZVFWFLSA-N 1 2 407.854 3.515 20 5 HHBDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000490080690 999890194 /nfs/dbraw/zinc/89/01/94/999890194.db2.gz POYKFZWKRUFTCG-QGZVFWFLSA-N 1 2 407.854 3.515 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490230268 999916459 /nfs/dbraw/zinc/91/64/59/999916459.db2.gz NEUFJTXWPCLCBF-MOPGFXCFSA-N 1 2 418.444 3.853 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490230268 999916461 /nfs/dbraw/zinc/91/64/61/999916461.db2.gz NEUFJTXWPCLCBF-MOPGFXCFSA-N 1 2 418.444 3.853 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000490230270 999916587 /nfs/dbraw/zinc/91/65/87/999916587.db2.gz NEUFJTXWPCLCBF-RBUKOAKNSA-N 1 2 418.444 3.853 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000490230270 999916588 /nfs/dbraw/zinc/91/65/88/999916588.db2.gz NEUFJTXWPCLCBF-RBUKOAKNSA-N 1 2 418.444 3.853 20 5 HHBDLO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000491089627 1000044165 /nfs/dbraw/zinc/04/41/65/1000044165.db2.gz UPYRQUSSYOQNKW-QFBILLFUSA-N 1 2 421.563 3.526 20 5 HHBDLO COc1ccc2c(c1)C[N@@H+](Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])CC2 ZINC000491207511 1000055264 /nfs/dbraw/zinc/05/52/64/1000055264.db2.gz YEUDAAKQXAVDPO-UHFFFAOYSA-N 1 2 408.401 3.814 20 5 HHBDLO COc1ccc2c(c1)C[N@H+](Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])CC2 ZINC000491207511 1000055267 /nfs/dbraw/zinc/05/52/67/1000055267.db2.gz YEUDAAKQXAVDPO-UHFFFAOYSA-N 1 2 408.401 3.814 20 5 HHBDLO COc1cc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)ccc1[N+](=O)[O-] ZINC000492996946 1000153131 /nfs/dbraw/zinc/15/31/31/1000153131.db2.gz XGVZIPWLWJBZEC-LJQANCHMSA-N 1 2 411.458 3.532 20 5 HHBDLO COc1cc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)ccc1[N+](=O)[O-] ZINC000492996946 1000153132 /nfs/dbraw/zinc/15/31/32/1000153132.db2.gz XGVZIPWLWJBZEC-LJQANCHMSA-N 1 2 411.458 3.532 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000494097814 1000306589 /nfs/dbraw/zinc/30/65/89/1000306589.db2.gz XTVBVWWMRPGBSI-IEBWSBKVSA-N 1 2 403.429 3.712 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000494097814 1000306605 /nfs/dbraw/zinc/30/66/05/1000306605.db2.gz XTVBVWWMRPGBSI-IEBWSBKVSA-N 1 2 403.429 3.712 20 5 HHBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)cc1[N+](=O)[O-] ZINC000504911329 1000443700 /nfs/dbraw/zinc/44/37/00/1000443700.db2.gz DYBZPOOGDQPIAF-NSHDSACASA-N 1 2 409.368 3.906 20 5 HHBDLO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCc1ccccc1-n1cc[nH+]c1 ZINC000494410308 1000479085 /nfs/dbraw/zinc/47/90/85/1000479085.db2.gz JQKAYWBQWDUFRM-UHFFFAOYSA-N 1 2 419.363 3.799 20 5 HHBDLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCS1 ZINC000494900999 1000720850 /nfs/dbraw/zinc/72/08/50/1000720850.db2.gz CQPKSMFMEQEGDU-WFASDCNBSA-N 1 2 406.533 3.873 20 5 HHBDLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCS1 ZINC000494900999 1000720853 /nfs/dbraw/zinc/72/08/53/1000720853.db2.gz CQPKSMFMEQEGDU-WFASDCNBSA-N 1 2 406.533 3.873 20 5 HHBDLO COc1ccccc1[C@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH2+]1 ZINC000505498301 1000834963 /nfs/dbraw/zinc/83/49/63/1000834963.db2.gz JIJVJAZMNVELKQ-QGZVFWFLSA-N 1 2 424.482 3.514 20 5 HHBDLO O=C(NCCCO[C@H]1CCCc2ccccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000505537647 1000885835 /nfs/dbraw/zinc/88/58/35/1000885835.db2.gz CUGOKURVADHXIO-QFIPXVFZSA-N 1 2 420.469 3.995 20 5 HHBDLO C[C@@H]1C[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000505770363 1001014350 /nfs/dbraw/zinc/01/43/50/1001014350.db2.gz AQUASGLOCMTRNA-CVEARBPZSA-N 1 2 414.531 3.807 20 5 HHBDLO C[C@H](O)[C@@H]1CC[N@@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000506036260 1001179814 /nfs/dbraw/zinc/17/98/14/1001179814.db2.gz MOZMSVZWYUHSKN-OHNRDTAOSA-N 1 2 403.866 3.631 20 5 HHBDLO C[C@H](O)[C@@H]1CC[N@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000506036260 1001179816 /nfs/dbraw/zinc/17/98/16/1001179816.db2.gz MOZMSVZWYUHSKN-OHNRDTAOSA-N 1 2 403.866 3.631 20 5 HHBDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000497359815 1001308817 /nfs/dbraw/zinc/30/88/17/1001308817.db2.gz ASOAUJSGWIKXQS-SOUVJXGZSA-N 1 2 424.929 3.592 20 5 HHBDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000497359815 1001308821 /nfs/dbraw/zinc/30/88/21/1001308821.db2.gz ASOAUJSGWIKXQS-SOUVJXGZSA-N 1 2 424.929 3.592 20 5 HHBDLO CC(C)c1ccc(C[NH+]2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1[N+](=O)[O-] ZINC000506299263 1001339173 /nfs/dbraw/zinc/33/91/73/1001339173.db2.gz UNRNVQOTJZWSRT-UHFFFAOYSA-N 1 2 421.501 3.685 20 5 HHBDLO O=C(NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1)c1ccc(F)cc1 ZINC000506416871 1001403477 /nfs/dbraw/zinc/40/34/77/1001403477.db2.gz PCOPEKCUMGPLOI-UHFFFAOYSA-N 1 2 423.391 3.730 20 5 HHBDLO Cc1ccccc1C(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000507166130 1001853961 /nfs/dbraw/zinc/85/39/61/1001853961.db2.gz CWBFKLRPVRUNCG-UHFFFAOYSA-N 1 2 419.428 3.899 20 5 HHBDLO O=C(C[NH+]1CCC(Nc2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000507263069 1001948189 /nfs/dbraw/zinc/94/81/89/1001948189.db2.gz NYAORPGDQGUQSR-UHFFFAOYSA-N 1 2 406.845 3.902 20 5 HHBDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc2)C1 ZINC000498854767 1002239001 /nfs/dbraw/zinc/23/90/01/1002239001.db2.gz UIHULYPXJGMJFH-MSOLQXFVSA-N 1 2 424.284 3.703 20 5 HHBDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc2)C1 ZINC000498854767 1002239006 /nfs/dbraw/zinc/23/90/06/1002239006.db2.gz UIHULYPXJGMJFH-MSOLQXFVSA-N 1 2 424.284 3.703 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000507658133 1002256779 /nfs/dbraw/zinc/25/67/79/1002256779.db2.gz FIKGQDKUDLBTKV-UHFFFAOYSA-N 1 2 403.442 3.869 20 5 HHBDLO CCOC(=O)c1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000499042370 1002422559 /nfs/dbraw/zinc/42/25/59/1002422559.db2.gz GJTWZHCHWYGOSH-UHFFFAOYSA-N 1 2 414.805 3.863 20 5 HHBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000499733858 1003080444 /nfs/dbraw/zinc/08/04/44/1003080444.db2.gz SKMWRGOZLBKCRA-UHFFFAOYSA-N 1 2 406.442 3.536 20 5 HHBDLO COc1cc(OC)cc(N2CCC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)c1 ZINC000509364218 1003793493 /nfs/dbraw/zinc/79/34/93/1003793493.db2.gz DKXPHKLYGWXROO-UHFFFAOYSA-N 1 2 407.417 3.603 20 5 HHBDLO COc1cc(OC)cc(N2CCC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)c1 ZINC000509364218 1003793501 /nfs/dbraw/zinc/79/35/01/1003793501.db2.gz DKXPHKLYGWXROO-UHFFFAOYSA-N 1 2 407.417 3.603 20 5 HHBDLO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000509520551 1003920600 /nfs/dbraw/zinc/92/06/00/1003920600.db2.gz DFEHJQKQNMCLDM-INIZCTEOSA-N 1 2 423.560 3.772 20 5 HHBDLO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000509520551 1003920610 /nfs/dbraw/zinc/92/06/10/1003920610.db2.gz DFEHJQKQNMCLDM-INIZCTEOSA-N 1 2 423.560 3.772 20 5 HHBDLO O=C(NCc1ccsc1Br)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000512017982 1003957475 /nfs/dbraw/zinc/95/74/75/1003957475.db2.gz WLWSZEBLRAFVFU-UHFFFAOYSA-N 1 2 407.249 3.535 20 5 HHBDLO Cc1ccc([C@@H](C)[NH2+]Cc2ncc(I)s2)cc1[N+](=O)[O-] ZINC000512046614 1003978151 /nfs/dbraw/zinc/97/81/51/1003978151.db2.gz VJUDULAYWYZCFN-SECBINFHSA-N 1 2 403.245 3.815 20 5 HHBDLO O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000512197348 1004098493 /nfs/dbraw/zinc/09/84/93/1004098493.db2.gz PESADJQJLDJIHD-QFBILLFUSA-N 1 2 406.442 3.678 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000512259848 1004161971 /nfs/dbraw/zinc/16/19/71/1004161971.db2.gz LSSBSDRDFUBTHL-UHFFFAOYSA-N 1 2 411.502 3.661 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000512259848 1004161977 /nfs/dbraw/zinc/16/19/77/1004161977.db2.gz LSSBSDRDFUBTHL-UHFFFAOYSA-N 1 2 411.502 3.661 20 5 HHBDLO COc1cccc2c(N3CCCN(c4nc5cc([N+](=O)[O-])ccc5[nH]4)CC3)cc[nH+]c12 ZINC000509882415 1004175942 /nfs/dbraw/zinc/17/59/42/1004175942.db2.gz CEQUZDAXJPASMH-UHFFFAOYSA-N 1 2 418.457 3.745 20 5 HHBDLO Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C2)c1 ZINC000501223011 1004292366 /nfs/dbraw/zinc/29/23/66/1004292366.db2.gz QOEBWRYXTLLPGA-NRFANRHFSA-N 1 2 412.396 3.939 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000501428559 1004415657 /nfs/dbraw/zinc/41/56/57/1004415657.db2.gz XRNQRYCXUWVWGS-QGZVFWFLSA-N 1 2 409.280 3.921 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000501428559 1004415662 /nfs/dbraw/zinc/41/56/62/1004415662.db2.gz XRNQRYCXUWVWGS-QGZVFWFLSA-N 1 2 409.280 3.921 20 5 HHBDLO Cc1c(Br)cc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000510464824 1004585141 /nfs/dbraw/zinc/58/51/41/1004585141.db2.gz MGLLNFOUAXVELZ-ZBEGNZNMSA-N 1 2 407.268 3.586 20 5 HHBDLO CCOc1ccc(-c2cn(C3C[NH+](C/C=C\c4ccccc4[N+](=O)[O-])C3)nn2)cc1 ZINC000501689346 1004606928 /nfs/dbraw/zinc/60/69/28/1004606928.db2.gz OIQIYVRPYCDPOR-ALCCZGGFSA-N 1 2 405.458 3.822 20 5 HHBDLO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000513382174 1004935734 /nfs/dbraw/zinc/93/57/34/1004935734.db2.gz VXIIMENAIIOKQA-QGZVFWFLSA-N 1 2 410.430 3.697 20 5 HHBDLO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000513382174 1004935742 /nfs/dbraw/zinc/93/57/42/1004935742.db2.gz VXIIMENAIIOKQA-QGZVFWFLSA-N 1 2 410.430 3.697 20 5 HHBDLO C[C@@H](c1cccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1)[NH+]1CCOCC1 ZINC000513739622 1005104381 /nfs/dbraw/zinc/10/43/81/1005104381.db2.gz KOEKZOLRTOMGJW-ZDUSSCGKSA-N 1 2 421.400 3.842 20 5 HHBDLO Cc1cc(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c[nH+]c1N1CCCC[C@H]1C ZINC000503274847 1005381933 /nfs/dbraw/zinc/38/19/33/1005381933.db2.gz JQVMLVPGBNAPEZ-GFCCVEGCSA-N 1 2 410.521 3.886 20 5 HHBDLO C[C@@H](c1cccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1)[NH+]1CCOCC1 ZINC000531319408 1006118460 /nfs/dbraw/zinc/11/84/60/1006118460.db2.gz XAZDZHWTYMEYBA-KRWDZBQOSA-N 1 2 412.490 3.819 20 5 HHBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC000515405595 1006443466 /nfs/dbraw/zinc/44/34/66/1006443466.db2.gz WKXXGKDEQDVAPP-LBPRGKRZSA-N 1 2 402.357 3.873 20 5 HHBDLO C[C@@H]1CN(c2ccccc2NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000515610966 1006559661 /nfs/dbraw/zinc/55/96/61/1006559661.db2.gz UNPWRTGBBULYRW-HZPDHXFCSA-N 1 2 421.457 3.646 20 5 HHBDLO COc1cc(C[NH2+][C@H](C)c2nc(-c3ccncc3)cs2)c([N+](=O)[O-])cc1OC ZINC000538610020 1006880492 /nfs/dbraw/zinc/88/04/92/1006880492.db2.gz IMEATVQIWCZMJY-GFCCVEGCSA-N 1 2 400.460 3.981 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000538665946 1006949993 /nfs/dbraw/zinc/94/99/93/1006949993.db2.gz WVPONJUZJAWAQV-KRWDZBQOSA-N 1 2 420.473 3.506 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000538665946 1006950003 /nfs/dbraw/zinc/95/00/03/1006950003.db2.gz WVPONJUZJAWAQV-KRWDZBQOSA-N 1 2 420.473 3.506 20 5 HHBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000532647897 1007066415 /nfs/dbraw/zinc/06/64/15/1007066415.db2.gz QQZRREIFZVEYRT-JKSUJKDBSA-N 1 2 405.495 3.674 20 5 HHBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000532647897 1007066428 /nfs/dbraw/zinc/06/64/28/1007066428.db2.gz QQZRREIFZVEYRT-JKSUJKDBSA-N 1 2 405.495 3.674 20 5 HHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000532665972 1007082194 /nfs/dbraw/zinc/08/21/94/1007082194.db2.gz JIGZNRYXCFHJOG-UHFFFAOYSA-N 1 2 413.503 3.709 20 5 HHBDLO Cc1c(CC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000535132026 1007170562 /nfs/dbraw/zinc/17/05/62/1007170562.db2.gz YFTANWDVKXCKSB-PXNSSMCTSA-N 1 2 405.857 3.800 20 5 HHBDLO Cc1c(CC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000535132026 1007170567 /nfs/dbraw/zinc/17/05/67/1007170567.db2.gz YFTANWDVKXCKSB-PXNSSMCTSA-N 1 2 405.857 3.800 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(OC3CCC(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000532960958 1007329942 /nfs/dbraw/zinc/32/99/42/1007329942.db2.gz SVTWISXEPKJRED-CGZBRXJRSA-N 1 2 419.522 3.990 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000533240385 1007560644 /nfs/dbraw/zinc/56/06/44/1007560644.db2.gz SKQDHBHFVYSBAP-UHFFFAOYSA-N 1 2 401.438 3.636 20 5 HHBDLO COc1cccc(C[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]2CCCO2)c1 ZINC000533246950 1007566008 /nfs/dbraw/zinc/56/60/08/1007566008.db2.gz KZXDMACTLOTJTG-LJQANCHMSA-N 1 2 413.474 3.532 20 5 HHBDLO COc1cccc(C[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]2CCCO2)c1 ZINC000533246950 1007566017 /nfs/dbraw/zinc/56/60/17/1007566017.db2.gz KZXDMACTLOTJTG-LJQANCHMSA-N 1 2 413.474 3.532 20 5 HHBDLO Cc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)o1 ZINC000533290319 1007603551 /nfs/dbraw/zinc/60/35/51/1007603551.db2.gz YYMHMRYBWIBHSN-OAHLLOKOSA-N 1 2 401.419 3.781 20 5 HHBDLO Cc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)o1 ZINC000533290319 1007603557 /nfs/dbraw/zinc/60/35/57/1007603557.db2.gz YYMHMRYBWIBHSN-OAHLLOKOSA-N 1 2 401.419 3.781 20 5 HHBDLO COc1ccc(NC(=O)C[NH+]2CCC(OC3CCC(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000533417522 1007725728 /nfs/dbraw/zinc/72/57/28/1007725728.db2.gz AAHZYKPRVBGARO-UHFFFAOYSA-N 1 2 405.495 3.602 20 5 HHBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000517878340 1008025020 /nfs/dbraw/zinc/02/50/20/1008025020.db2.gz LVPALJDUHHNFKH-UHFFFAOYSA-N 1 2 403.866 3.605 20 5 HHBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000517878340 1008025025 /nfs/dbraw/zinc/02/50/25/1008025025.db2.gz LVPALJDUHHNFKH-UHFFFAOYSA-N 1 2 403.866 3.605 20 5 HHBDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000539827329 1008121555 /nfs/dbraw/zinc/12/15/55/1008121555.db2.gz QPPKXVSSFFKPMG-HOTGVXAUSA-N 1 2 405.520 3.616 20 5 HHBDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000539827329 1008121561 /nfs/dbraw/zinc/12/15/61/1008121561.db2.gz QPPKXVSSFFKPMG-HOTGVXAUSA-N 1 2 405.520 3.616 20 5 HHBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000539884342 1008160783 /nfs/dbraw/zinc/16/07/83/1008160783.db2.gz RPDJRNIBIUGHIH-AWEZNQCLSA-N 1 2 420.872 3.705 20 5 HHBDLO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(N2CCCC2=O)c1 ZINC000540409166 1008421139 /nfs/dbraw/zinc/42/11/39/1008421139.db2.gz ZBSJBGOVURXLEW-CQSZACIVSA-N 1 2 407.430 3.622 20 5 HHBDLO COc1ccc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000542965360 1008538715 /nfs/dbraw/zinc/53/87/15/1008538715.db2.gz WNEQERDSKRRVQW-YLJYHZDGSA-N 1 2 407.430 3.850 20 5 HHBDLO CCOc1ccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000543140169 1008712733 /nfs/dbraw/zinc/71/27/33/1008712733.db2.gz UDLXJXHSOHQKLZ-FQEVSTJZSA-N 1 2 404.488 3.604 20 5 HHBDLO CCOc1ccc([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000543140169 1008712740 /nfs/dbraw/zinc/71/27/40/1008712740.db2.gz UDLXJXHSOHQKLZ-FQEVSTJZSA-N 1 2 404.488 3.604 20 5 HHBDLO O=[N+]([O-])c1ccc(NCCCc2nc(-c3ccccc3C[NH+]3CCOCC3)no2)cc1 ZINC000546301707 1009320326 /nfs/dbraw/zinc/32/03/26/1009320326.db2.gz SZLXRPUQFHDWBY-UHFFFAOYSA-N 1 2 423.473 3.522 20 5 HHBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)Cn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000544049464 1009652309 /nfs/dbraw/zinc/65/23/09/1009652309.db2.gz VUFQPMGROMWRNP-GOSISDBHSA-N 1 2 418.453 3.997 20 5 HHBDLO COc1cc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000546962527 1009918497 /nfs/dbraw/zinc/91/84/97/1009918497.db2.gz SDVYTHBBFMTXQR-UHFFFAOYSA-N 1 2 422.485 3.610 20 5 HHBDLO CCN(CC)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000520868896 1009921620 /nfs/dbraw/zinc/92/16/20/1009921620.db2.gz CLICSIHYEVRUAW-UHFFFAOYSA-N 1 2 402.520 3.903 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000547262310 1010208465 /nfs/dbraw/zinc/20/84/65/1010208465.db2.gz WKZKLHONVZFRJJ-MOPGFXCFSA-N 1 2 421.419 3.851 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000547262310 1010208485 /nfs/dbraw/zinc/20/84/85/1010208485.db2.gz WKZKLHONVZFRJJ-MOPGFXCFSA-N 1 2 421.419 3.851 20 5 HHBDLO CCO[C@H](C)c1nc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)cs1 ZINC000544611766 1010237255 /nfs/dbraw/zinc/23/72/55/1010237255.db2.gz WVXPYTZMBMUATQ-MRXNPFEDSA-N 1 2 404.536 3.775 20 5 HHBDLO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CC2)cc1 ZINC000548180459 1010554831 /nfs/dbraw/zinc/55/48/31/1010554831.db2.gz OBKNREZDYRQBTB-UHFFFAOYSA-N 1 2 405.458 3.528 20 5 HHBDLO O=C(NC1CC1)c1ccc(C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CC2)cc1 ZINC000548180459 1010554840 /nfs/dbraw/zinc/55/48/40/1010554840.db2.gz OBKNREZDYRQBTB-UHFFFAOYSA-N 1 2 405.458 3.528 20 5 HHBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000521922071 1010713148 /nfs/dbraw/zinc/71/31/48/1010713148.db2.gz YVFAJOXYKIHWOK-UHFFFAOYSA-N 1 2 402.454 3.615 20 5 HHBDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC[C@@H](C)CC)cc2[N+](=O)[O-])C1 ZINC000522026754 1010762985 /nfs/dbraw/zinc/76/29/85/1010762985.db2.gz JBIRFSUYEXLYSE-RDJZCZTQSA-N 1 2 407.511 3.519 20 5 HHBDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2cc(OC)c(OC[C@@H](C)CC)cc2[N+](=O)[O-])C1 ZINC000522026754 1010762997 /nfs/dbraw/zinc/76/29/97/1010762997.db2.gz JBIRFSUYEXLYSE-RDJZCZTQSA-N 1 2 407.511 3.519 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(OCCc2ccccc2)CC1 ZINC000522558822 1011079550 /nfs/dbraw/zinc/07/95/50/1011079550.db2.gz HZYFCAXZLNNBBX-UHFFFAOYSA-N 1 2 420.469 3.644 20 5 HHBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000522881508 1011326238 /nfs/dbraw/zinc/32/62/38/1011326238.db2.gz FKKVCLLCCBTDDG-UHFFFAOYSA-N 1 2 424.284 3.738 20 5 HHBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000536203102 1011348104 /nfs/dbraw/zinc/34/81/04/1011348104.db2.gz GTUKSZMROHJXDN-UHFFFAOYSA-N 1 2 421.501 3.779 20 5 HHBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000523148585 1011626581 /nfs/dbraw/zinc/62/65/81/1011626581.db2.gz SXXIJEKUJNYIID-UHFFFAOYSA-N 1 2 403.866 3.570 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541163959 1011830001 /nfs/dbraw/zinc/83/00/01/1011830001.db2.gz BCILWTIEFRDELD-PXNSSMCTSA-N 1 2 407.392 3.506 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541163959 1011830010 /nfs/dbraw/zinc/83/00/10/1011830010.db2.gz BCILWTIEFRDELD-PXNSSMCTSA-N 1 2 407.392 3.506 20 5 HHBDLO CCc1ccc([C@H]([NH2+]Cc2cccc(OCC(=O)NC)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000552091118 1012107350 /nfs/dbraw/zinc/10/73/50/1012107350.db2.gz BTGXONQOBSRYSQ-HSZRJFAPSA-N 1 2 423.469 3.754 20 5 HHBDLO CCc1ccc([C@@H]([NH2+]Cc2cccc(OCC(=O)NC)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000552091119 1012107824 /nfs/dbraw/zinc/10/78/24/1012107824.db2.gz BTGXONQOBSRYSQ-QHCPKHFHSA-N 1 2 423.469 3.754 20 5 HHBDLO CN(C)[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000552252689 1012262480 /nfs/dbraw/zinc/26/24/80/1012262480.db2.gz TYNUFOOEWNQTAS-UYAOXDASSA-N 1 2 415.444 3.588 20 5 HHBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000523733668 1012352646 /nfs/dbraw/zinc/35/26/46/1012352646.db2.gz JMQMMVQSFMHUKU-UHFFFAOYSA-N 1 2 408.461 3.657 20 5 HHBDLO O=[N+]([O-])c1cc(I)ccc1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000523751745 1012377190 /nfs/dbraw/zinc/37/71/90/1012377190.db2.gz QSJPUAZPVQZNGG-UHFFFAOYSA-N 1 2 420.210 3.997 20 5 HHBDLO C[C@H](c1cccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1)[NH+]1CCOCC1 ZINC000541622120 1012431740 /nfs/dbraw/zinc/43/17/40/1012431740.db2.gz MRGSKTSJKVCMPQ-LSDHHAIUSA-N 1 2 401.438 3.869 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1 ZINC000552427082 1012444605 /nfs/dbraw/zinc/44/46/05/1012444605.db2.gz LZVYTWJVQZRKDL-QGZVFWFLSA-N 1 2 413.474 3.704 20 5 HHBDLO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000541635904 1012449932 /nfs/dbraw/zinc/44/99/32/1012449932.db2.gz UWMDQYLDERHHIZ-LBPRGKRZSA-N 1 2 423.438 3.585 20 5 HHBDLO CC[C@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000541636539 1012451582 /nfs/dbraw/zinc/45/15/82/1012451582.db2.gz CGYXMLWVRWEFIY-JTQLQIEISA-N 1 2 418.397 3.758 20 5 HHBDLO COC[C@@H]([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000537124790 1012506697 /nfs/dbraw/zinc/50/66/97/1012506697.db2.gz IATYDIZPNBDZSF-CQSZACIVSA-N 1 2 418.343 3.960 20 5 HHBDLO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(n4cc[nH+]c4)CC3)cc2[N+](=O)[O-])C1 ZINC000523833785 1012521497 /nfs/dbraw/zinc/52/14/97/1012521497.db2.gz JWILUWXCSOQSFC-CALCHBBNSA-N 1 2 411.506 3.751 20 5 HHBDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nn1-c1ccc(C)cc1 ZINC000537248794 1012693355 /nfs/dbraw/zinc/69/33/55/1012693355.db2.gz MVNOELKNPMXWHU-UHFFFAOYSA-N 1 2 402.414 3.835 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542041226 1012943410 /nfs/dbraw/zinc/94/34/10/1012943410.db2.gz GRLLNMXGZYIRLJ-VQIMIIECSA-N 1 2 422.407 3.647 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542041226 1012943417 /nfs/dbraw/zinc/94/34/17/1012943417.db2.gz GRLLNMXGZYIRLJ-VQIMIIECSA-N 1 2 422.407 3.647 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542093639 1013021235 /nfs/dbraw/zinc/02/12/35/1013021235.db2.gz NWGQYLLSEAVTKE-RXVVDRJESA-N 1 2 421.419 3.896 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542093639 1013021244 /nfs/dbraw/zinc/02/12/44/1013021244.db2.gz NWGQYLLSEAVTKE-RXVVDRJESA-N 1 2 421.419 3.896 20 5 HHBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000568685155 1071804723 /nfs/dbraw/zinc/80/47/23/1071804723.db2.gz ZLTVLNZXJRLKJL-INIZCTEOSA-N 1 2 423.254 3.886 20 5 HHBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000568685155 1071804751 /nfs/dbraw/zinc/80/47/51/1071804751.db2.gz ZLTVLNZXJRLKJL-INIZCTEOSA-N 1 2 423.254 3.886 20 5 HHBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000587971458 1072724046 /nfs/dbraw/zinc/72/40/46/1072724046.db2.gz UBKUUYUIANGTHS-RDJZCZTQSA-N 1 2 419.547 3.565 20 5 HHBDLO O=C1NCCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1Cc1ccccc1 ZINC000590374596 1073775485 /nfs/dbraw/zinc/77/54/85/1073775485.db2.gz AWUCCZLANHHSGJ-HXUWFJFHSA-N 1 2 422.510 3.652 20 5 HHBDLO O=C1NCCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1Cc1ccccc1 ZINC000590374596 1073775495 /nfs/dbraw/zinc/77/54/95/1073775495.db2.gz AWUCCZLANHHSGJ-HXUWFJFHSA-N 1 2 422.510 3.652 20 5 HHBDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000760845309 1074438591 /nfs/dbraw/zinc/43/85/91/1074438591.db2.gz WISKDJYYECHWDW-KRWDZBQOSA-N 1 2 402.451 3.691 20 5 HHBDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000760845309 1074438593 /nfs/dbraw/zinc/43/85/93/1074438593.db2.gz WISKDJYYECHWDW-KRWDZBQOSA-N 1 2 402.451 3.691 20 5 HHBDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000761238199 1075712016 /nfs/dbraw/zinc/71/20/16/1075712016.db2.gz GHNRQDMFZCIXRL-UHFFFAOYSA-N 1 2 404.854 3.667 20 5 HHBDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000761238199 1075712022 /nfs/dbraw/zinc/71/20/22/1075712022.db2.gz GHNRQDMFZCIXRL-UHFFFAOYSA-N 1 2 404.854 3.667 20 5 HHBDLO Cc1nc(Sc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000301654758 971016852 /nfs/dbraw/zinc/01/68/52/971016852.db2.gz RKRVMLUZEVWORI-LBPRGKRZSA-N 1 2 402.455 3.792 20 5 HHBDLO O=[N+]([O-])c1cc(Br)cnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000301733809 971046392 /nfs/dbraw/zinc/04/63/92/971046392.db2.gz ZEUJHTCQXXLKKY-UHFFFAOYSA-N 1 2 411.687 3.728 20 5 HHBDLO C[N@@H+]1CCC[C@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301917826 971115468 /nfs/dbraw/zinc/11/54/68/971115468.db2.gz AYGHGVQXOFELDC-IAQYHMDHSA-N 1 2 415.562 3.616 20 5 HHBDLO C[N@H+]1CCC[C@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301917826 971115471 /nfs/dbraw/zinc/11/54/71/971115471.db2.gz AYGHGVQXOFELDC-IAQYHMDHSA-N 1 2 415.562 3.616 20 5 HHBDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(OC)c1 ZINC000302733947 971294821 /nfs/dbraw/zinc/29/48/21/971294821.db2.gz CLGOVSSQYQEFHV-GOSISDBHSA-N 1 2 410.430 3.999 20 5 HHBDLO COc1ccc([C@H]2CCC[N@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(OC)c1 ZINC000302733947 971294831 /nfs/dbraw/zinc/29/48/31/971294831.db2.gz CLGOVSSQYQEFHV-GOSISDBHSA-N 1 2 410.430 3.999 20 5 HHBDLO O=C(NCc1ccc(Br)c(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000303025219 971462144 /nfs/dbraw/zinc/46/21/44/971462144.db2.gz VPJDYUXSUOJOIU-UHFFFAOYSA-N 1 2 419.210 3.612 20 5 HHBDLO Cc1cnn(-c2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cc2F)c1 ZINC000303666769 971945689 /nfs/dbraw/zinc/94/56/89/971945689.db2.gz CIXUCGPWRNGJGU-UHFFFAOYSA-N 1 2 406.377 3.666 20 5 HHBDLO CCO[C@@H](C)c1nc(CN2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000537622083 1013168938 /nfs/dbraw/zinc/16/89/38/1013168938.db2.gz OISZWCFKTVGKBB-QLBOMPFWSA-N 1 2 416.547 3.980 20 5 HHBDLO CC(C)c1ccc(C[N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000537628036 1013179719 /nfs/dbraw/zinc/17/97/19/1013179719.db2.gz BMEZVLWKMNVBNY-UHFFFAOYSA-N 1 2 408.502 3.958 20 5 HHBDLO CC(C)c1ccc(C[N@@H+](CCO)Cc2cnn(Cc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000537628036 1013179733 /nfs/dbraw/zinc/17/97/33/1013179733.db2.gz BMEZVLWKMNVBNY-UHFFFAOYSA-N 1 2 408.502 3.958 20 5 HHBDLO O=[N+]([O-])c1c(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)nc2sccn21 ZINC000008338595 961521770 /nfs/dbraw/zinc/52/17/70/961521770.db2.gz VEQLZXXMVOIRKM-UHFFFAOYSA-N 1 2 411.409 3.645 20 5 HHBDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000015195861 962683942 /nfs/dbraw/zinc/68/39/42/962683942.db2.gz WNXOYDCLDDSUQY-UHFFFAOYSA-N 1 2 407.392 3.880 20 5 HHBDLO CCc1ccc([C@H]([NH2+]Cc2ccc(N3CCOCC3)nc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542482091 1013430081 /nfs/dbraw/zinc/43/00/81/1013430081.db2.gz NKYYZVRZAUONAA-HSZRJFAPSA-N 1 2 422.485 3.861 20 5 HHBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000542509706 1013454234 /nfs/dbraw/zinc/45/42/34/1013454234.db2.gz BSEOQYCDOYYDEY-INIZCTEOSA-N 1 2 414.481 3.998 20 5 HHBDLO Cc1cccc(CCCNc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])[nH+]1 ZINC000553580430 1013477805 /nfs/dbraw/zinc/47/78/05/1013477805.db2.gz QFHWFRJIAINREL-UHFFFAOYSA-N 1 2 418.519 3.518 20 5 HHBDLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000025926873 964393727 /nfs/dbraw/zinc/39/37/27/964393727.db2.gz AYWKCLUWLODAGI-SFHVURJKSA-N 1 2 410.430 3.999 20 5 HHBDLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000025926873 964393736 /nfs/dbraw/zinc/39/37/36/964393736.db2.gz AYWKCLUWLODAGI-SFHVURJKSA-N 1 2 410.430 3.999 20 5 HHBDLO O=C(C[NH+]1CCC(Nc2ccc3ncccc3c2[N+](=O)[O-])CC1)Nc1ccccc1 ZINC000051621612 964639266 /nfs/dbraw/zinc/63/92/66/964639266.db2.gz NIAZZQNLBOHHMX-UHFFFAOYSA-N 1 2 405.458 3.658 20 5 HHBDLO COc1cc(C[NH+]2CCN(c3cccc(C)c3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000027386247 964872187 /nfs/dbraw/zinc/87/21/87/964872187.db2.gz VZMNVCCCSLYECP-UHFFFAOYSA-N 1 2 407.417 3.835 20 5 HHBDLO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC000053370826 965147602 /nfs/dbraw/zinc/14/76/02/965147602.db2.gz HGNOMGSPJVUWDF-LJQANCHMSA-N 1 2 403.866 3.959 20 5 HHBDLO Cc1c(NC(=O)CC[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC000053370826 965147606 /nfs/dbraw/zinc/14/76/06/965147606.db2.gz HGNOMGSPJVUWDF-LJQANCHMSA-N 1 2 403.866 3.959 20 5 HHBDLO Cc1c([N+](=O)[O-])cc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000028677692 965156149 /nfs/dbraw/zinc/15/61/49/965156149.db2.gz PTHNOBJLCHNMKC-LLVKDONJSA-N 1 2 419.463 3.752 20 5 HHBDLO Cc1c([N+](=O)[O-])cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000028677692 965156160 /nfs/dbraw/zinc/15/61/60/965156160.db2.gz PTHNOBJLCHNMKC-LLVKDONJSA-N 1 2 419.463 3.752 20 5 HHBDLO C[C@H](c1nnc(Sc2ncccc2[N+](=O)[O-])n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000029001716 965237032 /nfs/dbraw/zinc/23/70/32/965237032.db2.gz HIYMATZPYFAZGX-LLVKDONJSA-N 1 2 404.883 3.998 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538026006 1013597056 /nfs/dbraw/zinc/59/70/56/1013597056.db2.gz RVVCJMKIWZECGL-UYAOXDASSA-N 1 2 421.856 3.718 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538026006 1013597064 /nfs/dbraw/zinc/59/70/64/1013597064.db2.gz RVVCJMKIWZECGL-UYAOXDASSA-N 1 2 421.856 3.718 20 5 HHBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccccc1-n1cc[nH+]c1 ZINC000055696321 966021445 /nfs/dbraw/zinc/02/14/45/966021445.db2.gz DPOPKOUOCUSBHC-UHFFFAOYSA-N 1 2 408.461 3.657 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000542703597 1013618289 /nfs/dbraw/zinc/61/82/89/1013618289.db2.gz RNXAUEALSIBVAM-QGZVFWFLSA-N 1 2 407.474 3.832 20 5 HHBDLO O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055943326 966148646 /nfs/dbraw/zinc/14/86/46/966148646.db2.gz VFXHOWCRJAZGTC-VQTJNVASSA-N 1 2 410.405 3.570 20 5 HHBDLO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031896396 966149522 /nfs/dbraw/zinc/14/95/22/966149522.db2.gz KHKDVLZXKVTBGV-KRWDZBQOSA-N 1 2 421.856 3.719 20 5 HHBDLO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)CC3 ZINC000032164283 966198514 /nfs/dbraw/zinc/19/85/14/966198514.db2.gz YQQJJIXDEZMCTL-UHFFFAOYSA-N 1 2 401.426 3.769 20 5 HHBDLO CN(Cc1ccc(Br)cc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032478704 966268005 /nfs/dbraw/zinc/26/80/05/966268005.db2.gz GBVKFZOWWNWIKQ-UHFFFAOYSA-N 1 2 415.247 3.815 20 5 HHBDLO O=C(NCc1ccccc1OC(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000033230437 966399546 /nfs/dbraw/zinc/39/95/46/966399546.db2.gz PEJMLZGUJQNFSV-UHFFFAOYSA-N 1 2 406.320 3.609 20 5 HHBDLO CCOC(=O)c1ccsc1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350139 967151036 /nfs/dbraw/zinc/15/10/36/967151036.db2.gz IAYFXLLMBTVFDV-UHFFFAOYSA-N 1 2 405.476 3.682 20 5 HHBDLO CCOC(=O)c1ccsc1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350139 967151041 /nfs/dbraw/zinc/15/10/41/967151041.db2.gz IAYFXLLMBTVFDV-UHFFFAOYSA-N 1 2 405.476 3.682 20 5 HHBDLO COc1cccc(C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]2CCCO2)c1 ZINC000064400143 967172789 /nfs/dbraw/zinc/17/27/89/967172789.db2.gz CGFWMNRMQPASGE-FQEVSTJZSA-N 1 2 424.457 3.835 20 5 HHBDLO COc1cccc(C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]2CCCO2)c1 ZINC000064400143 967172797 /nfs/dbraw/zinc/17/27/97/967172797.db2.gz CGFWMNRMQPASGE-FQEVSTJZSA-N 1 2 424.457 3.835 20 5 HHBDLO COc1ccc(OC(F)F)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000044588155 967249600 /nfs/dbraw/zinc/24/96/00/967249600.db2.gz CXYBDXJPMXIAON-UHFFFAOYSA-N 1 2 404.329 3.643 20 5 HHBDLO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000078882496 969021993 /nfs/dbraw/zinc/02/19/93/969021993.db2.gz NXESAMIYSLHEOB-LBPRGKRZSA-N 1 2 407.820 3.958 20 5 HHBDLO Cc1ccc(-c2nc(CCNC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)co2)cc1 ZINC000110343467 969656867 /nfs/dbraw/zinc/65/68/67/969656867.db2.gz KSIWWDPISVPEIJ-UHFFFAOYSA-N 1 2 417.425 3.716 20 5 HHBDLO COc1ccc(NC(=O)C[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c([N+](=O)[O-])c1 ZINC000117145765 969938682 /nfs/dbraw/zinc/93/86/82/969938682.db2.gz COVOOJYQLRVPOA-UHFFFAOYSA-N 1 2 424.432 3.952 20 5 HHBDLO COc1ccc(NC(=O)C[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c([N+](=O)[O-])c1 ZINC000117145765 969938687 /nfs/dbraw/zinc/93/86/87/969938687.db2.gz COVOOJYQLRVPOA-UHFFFAOYSA-N 1 2 424.432 3.952 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000215698694 970052012 /nfs/dbraw/zinc/05/20/12/970052012.db2.gz GDUIADVQGKQIBA-INIZCTEOSA-N 1 2 412.471 3.663 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1CNCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000236854112 970180318 /nfs/dbraw/zinc/18/03/18/970180318.db2.gz VYBSOSNSTMBCPS-HDICACEKSA-N 1 2 413.518 3.893 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1CNCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000236854112 970180323 /nfs/dbraw/zinc/18/03/23/970180323.db2.gz VYBSOSNSTMBCPS-HDICACEKSA-N 1 2 413.518 3.893 20 5 HHBDLO Cc1cc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000410193885 973688950 /nfs/dbraw/zinc/68/89/50/973688950.db2.gz YDGRVUROGCRAIR-UHFFFAOYSA-N 1 2 402.414 3.586 20 5 HHBDLO C[C@@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc([N+](=O)[O-])cc1F ZINC000410272817 973789569 /nfs/dbraw/zinc/78/95/69/973789569.db2.gz NRNKLXJMYXVPQA-HUUCEWRRSA-N 1 2 400.454 3.776 20 5 HHBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000410304103 973841573 /nfs/dbraw/zinc/84/15/73/973841573.db2.gz AKIMTNKTTIGFOY-UHFFFAOYSA-N 1 2 400.504 3.779 20 5 HHBDLO O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000426454866 974461011 /nfs/dbraw/zinc/46/10/11/974461011.db2.gz AOYFIQVMONDHGK-KRWDZBQOSA-N 1 2 406.442 3.917 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000427037859 974848144 /nfs/dbraw/zinc/84/81/44/974848144.db2.gz XVFMOGVSUMCTDI-IEBWSBKVSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000427037859 974848149 /nfs/dbraw/zinc/84/81/49/974848149.db2.gz XVFMOGVSUMCTDI-IEBWSBKVSA-N 1 2 421.856 3.961 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000427516725 975156444 /nfs/dbraw/zinc/15/64/44/975156444.db2.gz OFFHNTMPOYGBBG-QGZVFWFLSA-N 1 2 421.856 3.963 20 5 HHBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000428353085 975666794 /nfs/dbraw/zinc/66/67/94/975666794.db2.gz STTORIMHCVPGEL-OAHLLOKOSA-N 1 2 400.504 3.818 20 5 HHBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000428353084 975666959 /nfs/dbraw/zinc/66/69/59/975666959.db2.gz STTORIMHCVPGEL-HNNXBMFYSA-N 1 2 400.504 3.818 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000430230891 977407271 /nfs/dbraw/zinc/40/72/71/977407271.db2.gz WYMPXXUTASDZQV-UHFFFAOYSA-N 1 2 403.866 3.605 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000430230891 977407276 /nfs/dbraw/zinc/40/72/76/977407276.db2.gz WYMPXXUTASDZQV-UHFFFAOYSA-N 1 2 403.866 3.605 20 5 HHBDLO COc1cc(C[N@H+](CCc2ccccn2)Cc2cccnc2)c([N+](=O)[O-])cc1OC ZINC000430861523 977819231 /nfs/dbraw/zinc/81/92/31/977819231.db2.gz BOXSCWVZFGJDCR-UHFFFAOYSA-N 1 2 408.458 3.647 20 5 HHBDLO COc1cc(C[N@@H+](CCc2ccccn2)Cc2cccnc2)c([N+](=O)[O-])cc1OC ZINC000430861523 977819239 /nfs/dbraw/zinc/81/92/39/977819239.db2.gz BOXSCWVZFGJDCR-UHFFFAOYSA-N 1 2 408.458 3.647 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3ncc(C)s3)CC2)c([N+](=O)[O-])c1 ZINC000433158219 979106255 /nfs/dbraw/zinc/10/62/55/979106255.db2.gz IZYYPKJGGWAHPY-ZDUSSCGKSA-N 1 2 404.492 3.575 20 5 HHBDLO O=[N+]([O-])c1ccc(NCc2ccccc2OCC[NH+]2CCOCC2)cc1OC(F)F ZINC000433772039 979563067 /nfs/dbraw/zinc/56/30/67/979563067.db2.gz WQSZLPJFROESBN-UHFFFAOYSA-N 1 2 423.416 3.519 20 5 HHBDLO CCn1nccc1C1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000434805406 980410301 /nfs/dbraw/zinc/41/03/01/980410301.db2.gz WCVXDONVERPOHW-CYBMUJFWSA-N 1 2 405.886 3.671 20 5 HHBDLO O=C([C@H]1CCCCO1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000435057032 980601599 /nfs/dbraw/zinc/60/15/99/980601599.db2.gz APGJMIGVMJRYPR-LJQANCHMSA-N 1 2 415.515 3.537 20 5 HHBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435334058 980792776 /nfs/dbraw/zinc/79/27/76/980792776.db2.gz WDSHAMPQWXKMIP-UHFFFAOYSA-N 1 2 402.813 3.926 20 5 HHBDLO COc1c(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000436017668 981158181 /nfs/dbraw/zinc/15/81/81/981158181.db2.gz BZYHROMQXOYLMS-UHFFFAOYSA-N 1 2 414.849 3.796 20 5 HHBDLO O=C(c1ccc(O)cc1)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000436694684 981517199 /nfs/dbraw/zinc/51/71/99/981517199.db2.gz HZCXPIFVJWWCTN-UHFFFAOYSA-N 1 2 407.426 3.518 20 5 HHBDLO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436994113 981674049 /nfs/dbraw/zinc/67/40/49/981674049.db2.gz AWOQPRUOTPIGSQ-GOSISDBHSA-N 1 2 421.457 3.505 20 5 HHBDLO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436994113 981674052 /nfs/dbraw/zinc/67/40/52/981674052.db2.gz AWOQPRUOTPIGSQ-GOSISDBHSA-N 1 2 421.457 3.505 20 5 HHBDLO O=C(C1CC1)N1CCC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000438285721 982700728 /nfs/dbraw/zinc/70/07/28/982700728.db2.gz SNUDGKLKVUCPRO-UHFFFAOYSA-N 1 2 413.449 3.971 20 5 HHBDLO O=C(C1CC1)N1CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000438285721 982700730 /nfs/dbraw/zinc/70/07/30/982700730.db2.gz SNUDGKLKVUCPRO-UHFFFAOYSA-N 1 2 413.449 3.971 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000438541735 982880338 /nfs/dbraw/zinc/88/03/38/982880338.db2.gz RESJAPIASZWUSB-UHFFFAOYSA-N 1 2 413.503 3.629 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441674537 984388148 /nfs/dbraw/zinc/38/81/48/984388148.db2.gz WGRARBSFNQAZDP-IBGZPJMESA-N 1 2 409.446 3.980 20 5 HHBDLO CC1(C)C[N@H+](CCNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CCO1 ZINC000441999892 984586955 /nfs/dbraw/zinc/58/69/55/984586955.db2.gz IDGFKIMZUNSVER-UHFFFAOYSA-N 1 2 415.515 3.587 20 5 HHBDLO CC1(C)C[N@@H+](CCNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CCO1 ZINC000441999892 984586959 /nfs/dbraw/zinc/58/69/59/984586959.db2.gz IDGFKIMZUNSVER-UHFFFAOYSA-N 1 2 415.515 3.587 20 5 HHBDLO CNc1c(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000462905422 985835212 /nfs/dbraw/zinc/83/52/12/985835212.db2.gz JDQBDOIMXXOQTL-UHFFFAOYSA-N 1 2 402.882 3.638 20 5 HHBDLO CNc1c(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000462905422 985835234 /nfs/dbraw/zinc/83/52/34/985835234.db2.gz JDQBDOIMXXOQTL-UHFFFAOYSA-N 1 2 402.882 3.638 20 5 HHBDLO COc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1SC ZINC000463029662 985988198 /nfs/dbraw/zinc/98/81/98/985988198.db2.gz AVKSIKYDSWIUTK-CYBMUJFWSA-N 1 2 421.544 3.906 20 5 HHBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000463095805 986054273 /nfs/dbraw/zinc/05/42/73/986054273.db2.gz YUQONJUCTOUXJK-AWEZNQCLSA-N 1 2 400.504 3.750 20 5 HHBDLO C[C@H]1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C[C@@H]1n1cc[nH+]c1 ZINC000444224446 986411028 /nfs/dbraw/zinc/41/10/28/986411028.db2.gz KRUZXJUIUVWFOB-LIRRHRJNSA-N 1 2 404.445 3.740 20 5 HHBDLO C[C@@H]1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C[C@@H]1n1cc[nH+]c1 ZINC000444224443 986411188 /nfs/dbraw/zinc/41/11/88/986411188.db2.gz KRUZXJUIUVWFOB-KUHUBIRLSA-N 1 2 404.445 3.740 20 5 HHBDLO O=C(C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000463450334 986431457 /nfs/dbraw/zinc/43/14/57/986431457.db2.gz MSSSIJVEPVVELG-OAQYLSRUSA-N 1 2 417.893 3.504 20 5 HHBDLO O=C(C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000463450334 986431462 /nfs/dbraw/zinc/43/14/62/986431462.db2.gz MSSSIJVEPVVELG-OAQYLSRUSA-N 1 2 417.893 3.504 20 5 HHBDLO O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000444250337 986445528 /nfs/dbraw/zinc/44/55/28/986445528.db2.gz UMMAHDUPTPVSES-UHFFFAOYSA-N 1 2 408.408 3.702 20 5 HHBDLO O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000444250337 986445545 /nfs/dbraw/zinc/44/55/45/986445545.db2.gz UMMAHDUPTPVSES-UHFFFAOYSA-N 1 2 408.408 3.702 20 5 HHBDLO COc1cccc(C[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]2CCCO2)c1 ZINC000463501791 986477068 /nfs/dbraw/zinc/47/70/68/986477068.db2.gz YONUOFCFTLYOFH-GOSISDBHSA-N 1 2 404.438 3.932 20 5 HHBDLO COc1cccc(C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]2CCCO2)c1 ZINC000463501791 986477072 /nfs/dbraw/zinc/47/70/72/986477072.db2.gz YONUOFCFTLYOFH-GOSISDBHSA-N 1 2 404.438 3.932 20 5 HHBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000444666394 986849261 /nfs/dbraw/zinc/84/92/61/986849261.db2.gz SHKZALZVXWOGAT-ZDUSSCGKSA-N 1 2 422.435 3.713 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000444935882 987080710 /nfs/dbraw/zinc/08/07/10/987080710.db2.gz HYYBLOFHDJIMKI-AZUAARDMSA-N 1 2 407.430 3.850 20 5 HHBDLO CC1CCN(c2ccc(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc2[N+](=O)[O-])CC1 ZINC000469396783 987094757 /nfs/dbraw/zinc/09/47/57/987094757.db2.gz BTGYRHKBKLUJOF-DYESRHJHSA-N 1 2 411.506 3.751 20 5 HHBDLO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC[NH+](CCc2cccs2)CC1 ZINC000445195859 987271250 /nfs/dbraw/zinc/27/12/50/987271250.db2.gz QFWLCIQKAXLPIS-UHFFFAOYSA-N 1 2 417.534 3.743 20 5 HHBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CC2)c1 ZINC000470126276 988029501 /nfs/dbraw/zinc/02/95/01/988029501.db2.gz YRTIEPLTJXXNRC-CQSZACIVSA-N 1 2 402.426 3.653 20 5 HHBDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000470151530 988060693 /nfs/dbraw/zinc/06/06/93/988060693.db2.gz IOOXADIDOOCHSV-ROUUACIJSA-N 1 2 422.844 3.581 20 5 HHBDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000470151530 988060708 /nfs/dbraw/zinc/06/07/08/988060708.db2.gz IOOXADIDOOCHSV-ROUUACIJSA-N 1 2 422.844 3.581 20 5 HHBDLO CC(C)(C)OC(=O)c1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000464469999 988643354 /nfs/dbraw/zinc/64/33/54/988643354.db2.gz HNIPWHBBOOVFPC-UHFFFAOYSA-N 1 2 422.441 3.666 20 5 HHBDLO COc1cc(C[NH2+][C@@H](CCO)c2ccccc2Br)c([N+](=O)[O-])cc1F ZINC000464481310 988652673 /nfs/dbraw/zinc/65/26/73/988652673.db2.gz OMXRPCNPEZLQJX-HNNXBMFYSA-N 1 2 413.243 3.718 20 5 HHBDLO COc1cc(C[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)c([N+](=O)[O-])cc1F ZINC000464483840 988655882 /nfs/dbraw/zinc/65/58/82/988655882.db2.gz ZSBWEUFGKGJYEU-UHFFFAOYSA-N 1 2 400.406 3.803 20 5 HHBDLO COc1cc(C[N@@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)c([N+](=O)[O-])cc1F ZINC000464483840 988655887 /nfs/dbraw/zinc/65/58/87/988655887.db2.gz ZSBWEUFGKGJYEU-UHFFFAOYSA-N 1 2 400.406 3.803 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H](OCc2ccccc2F)C1 ZINC000470689625 988713965 /nfs/dbraw/zinc/71/39/65/988713965.db2.gz NAESHZKTRUHWLX-SFHVURJKSA-N 1 2 424.432 3.741 20 5 HHBDLO Cc1ccc([C@@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c2ccccn2)cc1 ZINC000471081240 989175849 /nfs/dbraw/zinc/17/58/49/989175849.db2.gz NEWYXFATVRSSIK-HSZRJFAPSA-N 1 2 402.454 3.567 20 5 HHBDLO Cc1[nH+]ccn1-c1ccc([C@@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000465493148 989841605 /nfs/dbraw/zinc/84/16/05/989841605.db2.gz RYSICXHMYIEWTN-GFCCVEGCSA-N 1 2 420.878 3.782 20 5 HHBDLO CCNc1ccc(C(=O)OCC)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000466438223 991727277 /nfs/dbraw/zinc/72/72/77/991727277.db2.gz JJNAPYQPLFZMHG-UHFFFAOYSA-N 1 2 423.429 3.641 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000467221107 992544774 /nfs/dbraw/zinc/54/47/74/992544774.db2.gz ZORWCYBVCQUDQW-ROUUACIJSA-N 1 2 424.835 3.771 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000467221107 992544781 /nfs/dbraw/zinc/54/47/81/992544781.db2.gz ZORWCYBVCQUDQW-ROUUACIJSA-N 1 2 424.835 3.771 20 5 HHBDLO Cc1ccc(CN2CC[C@H]([NH2+]Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2=O)cc1 ZINC000480909803 993766292 /nfs/dbraw/zinc/76/62/92/993766292.db2.gz NEPWSBHAVIGYQH-FQEVSTJZSA-N 1 2 422.510 3.917 20 5 HHBDLO Cc1cc(NC(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000473780249 994702736 /nfs/dbraw/zinc/70/27/36/994702736.db2.gz ADRXJUBRAXJDGC-SFHVURJKSA-N 1 2 412.490 3.658 20 5 HHBDLO Cc1cc(NC(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000473780248 994702978 /nfs/dbraw/zinc/70/29/78/994702978.db2.gz ADRXJUBRAXJDGC-GOSISDBHSA-N 1 2 412.490 3.658 20 5 HHBDLO Cc1csc(Sc2ccc(C(=O)NC[C@H](C)Cn3cc[nH+]c3)cc2[N+](=O)[O-])n1 ZINC000473872504 994813560 /nfs/dbraw/zinc/81/35/60/994813560.db2.gz CYWDKOPJOSNQDJ-LBPRGKRZSA-N 1 2 417.516 3.774 20 5 HHBDLO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ncnn1C ZINC000474008950 994998389 /nfs/dbraw/zinc/99/83/89/994998389.db2.gz LXJYVDVQKNMPMP-SNVBAGLBSA-N 1 2 406.240 3.597 20 5 HHBDLO CC(C)(C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000474640212 995586084 /nfs/dbraw/zinc/58/60/84/995586084.db2.gz JJJXXHHVSOSYOA-UHFFFAOYSA-N 1 2 419.884 3.839 20 5 HHBDLO CC(C)(C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000474640212 995586093 /nfs/dbraw/zinc/58/60/93/995586093.db2.gz JJJXXHHVSOSYOA-UHFFFAOYSA-N 1 2 419.884 3.839 20 5 HHBDLO Cc1ccncc1C[N@@H+](C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000483046108 995939485 /nfs/dbraw/zinc/93/94/85/995939485.db2.gz VMEXJZVUNGTKJM-AWEZNQCLSA-N 1 2 411.487 3.881 20 5 HHBDLO Cc1ccncc1C[N@H+](C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000483046108 995939491 /nfs/dbraw/zinc/93/94/91/995939491.db2.gz VMEXJZVUNGTKJM-AWEZNQCLSA-N 1 2 411.487 3.881 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000484346889 996718392 /nfs/dbraw/zinc/71/83/92/996718392.db2.gz ZQEAVGRWWWUQRE-IAQYHMDHSA-N 1 2 403.401 3.841 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000484346889 996718395 /nfs/dbraw/zinc/71/83/95/996718395.db2.gz ZQEAVGRWWWUQRE-IAQYHMDHSA-N 1 2 403.401 3.841 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000485881483 998336717 /nfs/dbraw/zinc/33/67/17/998336717.db2.gz MWQSBJFMBCRBIY-LLVKDONJSA-N 1 2 401.414 3.657 20 5 HHBDLO Cn1cc(-c2cc(F)ccc2NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000477675075 998387355 /nfs/dbraw/zinc/38/73/55/998387355.db2.gz ZCYCLUYKIWVXAI-UHFFFAOYSA-N 1 2 406.377 3.572 20 5 HHBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486099318 998547781 /nfs/dbraw/zinc/54/77/81/998547781.db2.gz UMZAPELJGDIIMO-UHFFFAOYSA-N 1 2 420.469 3.979 20 5 HHBDLO COc1cc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc([N+](=O)[O-])c1C ZINC000478343877 998903621 /nfs/dbraw/zinc/90/36/21/998903621.db2.gz PBXUXDNIYWQWSL-IBGZPJMESA-N 1 2 408.458 3.896 20 5 HHBDLO NC(=O)[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccc(Br)c1 ZINC000479483186 999437459 /nfs/dbraw/zinc/43/74/59/999437459.db2.gz LXSDVSBAUXQACO-IAGOWNOFSA-N 1 2 404.264 3.551 20 5 HHBDLO NC(=O)[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccc(Br)c1 ZINC000479483185 999437560 /nfs/dbraw/zinc/43/75/60/999437560.db2.gz LXSDVSBAUXQACO-DLBZAZTESA-N 1 2 404.264 3.551 20 5 HHBDLO Cc1c(CNC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cccc1[N+](=O)[O-] ZINC000479552466 999473957 /nfs/dbraw/zinc/47/39/57/999473957.db2.gz HLFMOWJLWSEJRC-ZDUSSCGKSA-N 1 2 403.508 3.913 20 5 HHBDLO Cc1c(CNC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cccc1[N+](=O)[O-] ZINC000479552466 999473960 /nfs/dbraw/zinc/47/39/60/999473960.db2.gz HLFMOWJLWSEJRC-ZDUSSCGKSA-N 1 2 403.508 3.913 20 5 HHBDLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H](C)O1 ZINC000479726197 999557593 /nfs/dbraw/zinc/55/75/93/999557593.db2.gz GTVQEXBTIPWTPQ-JKIFEVAISA-N 1 2 403.504 3.523 20 5 HHBDLO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H](C)O1 ZINC000479726197 999557595 /nfs/dbraw/zinc/55/75/95/999557595.db2.gz GTVQEXBTIPWTPQ-JKIFEVAISA-N 1 2 403.504 3.523 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCN(C2CC2)c2ccc(F)cc21 ZINC000479848836 999623741 /nfs/dbraw/zinc/62/37/41/999623741.db2.gz BKJXLEKJTVRVAA-UHFFFAOYSA-N 1 2 407.405 3.549 20 5 HHBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cn(-c4ccc(Cl)c(Cl)c4)nn3)CC2)n1 ZINC000489010159 999671124 /nfs/dbraw/zinc/67/11/24/999671124.db2.gz KGCNKALEBHRBSZ-UHFFFAOYSA-N 1 2 422.276 3.516 20 5 HHBDLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000489205218 999722117 /nfs/dbraw/zinc/72/21/17/999722117.db2.gz KUXGBQVWVASLQX-UHFFFAOYSA-N 1 2 406.398 3.776 20 5 HHBDLO COc1ccc(CCC(=O)N2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000489231980 999727200 /nfs/dbraw/zinc/72/72/00/999727200.db2.gz LIOFLEZXHKBJBF-GOSISDBHSA-N 1 2 411.502 3.750 20 5 HHBDLO Cc1cc([C@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CCO2)ccc1F ZINC000491231519 1000057126 /nfs/dbraw/zinc/05/71/26/1000057126.db2.gz GZHQZQGNVIADTN-HXUWFJFHSA-N 1 2 401.438 3.753 20 5 HHBDLO Cc1cc([C@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CCO2)ccc1F ZINC000491231519 1000057127 /nfs/dbraw/zinc/05/71/27/1000057127.db2.gz GZHQZQGNVIADTN-HXUWFJFHSA-N 1 2 401.438 3.753 20 5 HHBDLO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492071683 1000108235 /nfs/dbraw/zinc/10/82/35/1000108235.db2.gz VCMDWTZQCSNMKR-UHFFFAOYSA-N 1 2 420.351 3.575 20 5 HHBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505543697 1000891016 /nfs/dbraw/zinc/89/10/16/1000891016.db2.gz UXDNEPOZUKRKCP-HNNXBMFYSA-N 1 2 409.870 3.653 20 5 HHBDLO CC[C@@]1(O)CC[N@@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000495209966 1000915324 /nfs/dbraw/zinc/91/53/24/1000915324.db2.gz CNYUPHLQFKQCQC-UYAOXDASSA-N 1 2 403.866 3.775 20 5 HHBDLO CC[C@@]1(O)CC[N@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000495209966 1000915328 /nfs/dbraw/zinc/91/53/28/1000915328.db2.gz CNYUPHLQFKQCQC-UYAOXDASSA-N 1 2 403.866 3.775 20 5 HHBDLO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000505585151 1000921065 /nfs/dbraw/zinc/92/10/65/1000921065.db2.gz LLCRJNWBRJUSGG-AWEZNQCLSA-N 1 2 409.483 3.615 20 5 HHBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000497493142 1001398664 /nfs/dbraw/zinc/39/86/64/1001398664.db2.gz RQBWFCBLGJNHCV-GESALYCCSA-N 1 2 421.469 3.915 20 5 HHBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000497493142 1001398669 /nfs/dbraw/zinc/39/86/69/1001398669.db2.gz RQBWFCBLGJNHCV-GESALYCCSA-N 1 2 421.469 3.915 20 5 HHBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000497493175 1001398882 /nfs/dbraw/zinc/39/88/82/1001398882.db2.gz RQBWFCBLGJNHCV-RQUSPXKASA-N 1 2 421.469 3.915 20 5 HHBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000497493175 1001398885 /nfs/dbraw/zinc/39/88/85/1001398885.db2.gz RQBWFCBLGJNHCV-RQUSPXKASA-N 1 2 421.469 3.915 20 5 HHBDLO O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000506432834 1001409976 /nfs/dbraw/zinc/40/99/76/1001409976.db2.gz NQXGPLWGSNTNLI-UHFFFAOYSA-N 1 2 409.417 3.952 20 5 HHBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498332087 1001781096 /nfs/dbraw/zinc/78/10/96/1001781096.db2.gz JJSLKCOJIBRAHI-UHFFFAOYSA-N 1 2 419.485 3.917 20 5 HHBDLO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000507092234 1001802627 /nfs/dbraw/zinc/80/26/27/1001802627.db2.gz ZYLHFXMLXNLPAZ-KPZWWZAWSA-N 1 2 407.829 3.516 20 5 HHBDLO C[N@H+]1CC[C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000507092234 1001802640 /nfs/dbraw/zinc/80/26/40/1001802640.db2.gz ZYLHFXMLXNLPAZ-KPZWWZAWSA-N 1 2 407.829 3.516 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000499153256 1002536440 /nfs/dbraw/zinc/53/64/40/1002536440.db2.gz FNHHFGGITLXSNB-MOPGFXCFSA-N 1 2 418.881 3.750 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000499153256 1002536445 /nfs/dbraw/zinc/53/64/45/1002536445.db2.gz FNHHFGGITLXSNB-MOPGFXCFSA-N 1 2 418.881 3.750 20 5 HHBDLO COCc1ccccc1/C=C(\C)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000508720748 1003160973 /nfs/dbraw/zinc/16/09/73/1003160973.db2.gz SKZKDIGZGSTMIA-OBGWFSINSA-N 1 2 409.486 3.603 20 5 HHBDLO CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000499939080 1003262687 /nfs/dbraw/zinc/26/26/87/1003262687.db2.gz NJICPDYWGNIGMS-OAHLLOKOSA-N 1 2 421.457 3.695 20 5 HHBDLO C[C@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000499953230 1003274066 /nfs/dbraw/zinc/27/40/66/1003274066.db2.gz KQQTVRZPWWJBJB-VFZGTOFNSA-N 1 2 416.236 3.691 20 5 HHBDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000500038253 1003364769 /nfs/dbraw/zinc/36/47/69/1003364769.db2.gz VCQAONXGTIXYLO-QFBILLFUSA-N 1 2 420.872 3.923 20 5 HHBDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000500038253 1003364776 /nfs/dbraw/zinc/36/47/76/1003364776.db2.gz VCQAONXGTIXYLO-QFBILLFUSA-N 1 2 420.872 3.923 20 5 HHBDLO O=[N+]([O-])c1ccc(NCc2cccc(OCC[NH+]3CCOCC3)c2)c(OC(F)F)c1 ZINC000509037000 1003506834 /nfs/dbraw/zinc/50/68/34/1003506834.db2.gz JVFMUFLJLUEGJY-UHFFFAOYSA-N 1 2 423.416 3.519 20 5 HHBDLO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509341293 1003717311 /nfs/dbraw/zinc/71/73/11/1003717311.db2.gz IZEPHDJUKLVSBJ-NSHDSACASA-N 1 2 410.808 3.772 20 5 HHBDLO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509341293 1003717315 /nfs/dbraw/zinc/71/73/15/1003717315.db2.gz IZEPHDJUKLVSBJ-NSHDSACASA-N 1 2 410.808 3.772 20 5 HHBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)o1 ZINC000512211108 1004111785 /nfs/dbraw/zinc/11/17/85/1004111785.db2.gz GAVWQVKTNWEUCI-UHFFFAOYSA-N 1 2 417.416 3.764 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000512433085 1004298904 /nfs/dbraw/zinc/29/89/04/1004298904.db2.gz JVHIQDPFFHCIIN-QGZVFWFLSA-N 1 2 402.426 3.529 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000512433085 1004298913 /nfs/dbraw/zinc/29/89/13/1004298913.db2.gz JVHIQDPFFHCIIN-QGZVFWFLSA-N 1 2 402.426 3.529 20 5 HHBDLO O=C(Cc1ccncc1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000501277396 1004328686 /nfs/dbraw/zinc/32/86/86/1004328686.db2.gz VYELLTNEGLZSID-UHFFFAOYSA-N 1 2 422.510 3.605 20 5 HHBDLO COc1cc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000512700999 1004503907 /nfs/dbraw/zinc/50/39/07/1004503907.db2.gz GQYXQVLASYKHJT-SFHVURJKSA-N 1 2 404.438 3.932 20 5 HHBDLO COc1cc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000512700999 1004503911 /nfs/dbraw/zinc/50/39/11/1004503911.db2.gz GQYXQVLASYKHJT-SFHVURJKSA-N 1 2 404.438 3.932 20 5 HHBDLO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1 ZINC000510537713 1004670501 /nfs/dbraw/zinc/67/05/01/1004670501.db2.gz JJOKCXPAXQHFOL-IBGZPJMESA-N 1 2 408.483 3.782 20 5 HHBDLO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1 ZINC000510537713 1004670505 /nfs/dbraw/zinc/67/05/05/1004670505.db2.gz JJOKCXPAXQHFOL-IBGZPJMESA-N 1 2 408.483 3.782 20 5 HHBDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511074703 1005007912 /nfs/dbraw/zinc/00/79/12/1005007912.db2.gz WEYMCIIMRIBYJD-UHFFFAOYSA-N 1 2 407.474 3.510 20 5 HHBDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511074703 1005007917 /nfs/dbraw/zinc/00/79/17/1005007917.db2.gz WEYMCIIMRIBYJD-UHFFFAOYSA-N 1 2 407.474 3.510 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511122547 1005030533 /nfs/dbraw/zinc/03/05/33/1005030533.db2.gz HBAUHUOTULRQDK-UHFFFAOYSA-N 1 2 411.380 3.915 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511122547 1005030536 /nfs/dbraw/zinc/03/05/36/1005030536.db2.gz HBAUHUOTULRQDK-UHFFFAOYSA-N 1 2 411.380 3.915 20 5 HHBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000534128023 1006103602 /nfs/dbraw/zinc/10/36/02/1006103602.db2.gz KOBFRXJPRCQVHP-ZDUSSCGKSA-N 1 2 403.870 3.547 20 5 HHBDLO O=C(NCCCF)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000532011793 1006574506 /nfs/dbraw/zinc/57/45/06/1006574506.db2.gz YFGPIADRDQUUJJ-UHFFFAOYSA-N 1 2 406.483 3.510 20 5 HHBDLO O=C(CC1CCCC1)N1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000534853742 1006874307 /nfs/dbraw/zinc/87/43/07/1006874307.db2.gz JTGHFWBIYJBCSR-UHFFFAOYSA-N 1 2 412.490 3.864 20 5 HHBDLO O=C(CC1CCCC1)N1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000534853742 1006874326 /nfs/dbraw/zinc/87/43/26/1006874326.db2.gz JTGHFWBIYJBCSR-UHFFFAOYSA-N 1 2 412.490 3.864 20 5 HHBDLO COc1cccc(C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]2CCCO2)c1 ZINC000532486112 1006926635 /nfs/dbraw/zinc/92/66/35/1006926635.db2.gz CGFWMNRMQPASGE-HXUWFJFHSA-N 1 2 424.457 3.835 20 5 HHBDLO COc1cccc(C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]2CCCO2)c1 ZINC000532486112 1006926656 /nfs/dbraw/zinc/92/66/56/1006926656.db2.gz CGFWMNRMQPASGE-HXUWFJFHSA-N 1 2 424.457 3.835 20 5 HHBDLO CCC[N@H+](Cc1ccccc1Br)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000532503269 1006943492 /nfs/dbraw/zinc/94/34/92/1006943492.db2.gz BEHOEPBPEGJTAM-UHFFFAOYSA-N 1 2 406.280 3.868 20 5 HHBDLO CCC[N@@H+](Cc1ccccc1Br)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000532503269 1006943498 /nfs/dbraw/zinc/94/34/98/1006943498.db2.gz BEHOEPBPEGJTAM-UHFFFAOYSA-N 1 2 406.280 3.868 20 5 HHBDLO CC[NH+](CC)[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccsc1 ZINC000516343712 1007029873 /nfs/dbraw/zinc/02/98/73/1007029873.db2.gz RZXVANBXPIAHTM-OAHLLOKOSA-N 1 2 417.940 3.671 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535127705 1007162599 /nfs/dbraw/zinc/16/25/99/1007162599.db2.gz NENRTJNGFFZOLG-AEFFLSMTSA-N 1 2 407.829 3.571 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535127705 1007162605 /nfs/dbraw/zinc/16/26/05/1007162605.db2.gz NENRTJNGFFZOLG-AEFFLSMTSA-N 1 2 407.829 3.571 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000535131458 1007169255 /nfs/dbraw/zinc/16/92/55/1007169255.db2.gz PFYPSPOEBLCAHO-YLJYHZDGSA-N 1 2 420.872 3.751 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000535131458 1007169259 /nfs/dbraw/zinc/16/92/59/1007169259.db2.gz PFYPSPOEBLCAHO-YLJYHZDGSA-N 1 2 420.872 3.751 20 5 HHBDLO O=C1[C@@H](Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000535234165 1007288353 /nfs/dbraw/zinc/28/83/53/1007288353.db2.gz NRTZOKBJLRBLAC-NRFANRHFSA-N 1 2 415.453 3.727 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000535312839 1007364476 /nfs/dbraw/zinc/36/44/76/1007364476.db2.gz IIDFLTHBUBOIHK-IBGZPJMESA-N 1 2 420.473 3.854 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000535312839 1007364488 /nfs/dbraw/zinc/36/44/88/1007364488.db2.gz IIDFLTHBUBOIHK-IBGZPJMESA-N 1 2 420.473 3.854 20 5 HHBDLO CC(C)OC1CC[NH+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000533016917 1007378089 /nfs/dbraw/zinc/37/80/89/1007378089.db2.gz VTUFRHIUNPYMRU-AWEZNQCLSA-N 1 2 418.519 3.935 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3cccc4c3OCCO4)n2)cc1 ZINC000533262721 1007577961 /nfs/dbraw/zinc/57/79/61/1007577961.db2.gz NMIGUJANMFQNOX-QGZVFWFLSA-N 1 2 408.414 3.753 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3cccc4c3OCCO4)n2)cc1 ZINC000533262721 1007577970 /nfs/dbraw/zinc/57/79/70/1007577970.db2.gz NMIGUJANMFQNOX-QGZVFWFLSA-N 1 2 408.414 3.753 20 5 HHBDLO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(SC)cc1OC ZINC000533293774 1007608243 /nfs/dbraw/zinc/60/82/43/1007608243.db2.gz TYSMLWUKMHTRHC-ZDUSSCGKSA-N 1 2 419.503 3.793 20 5 HHBDLO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(SC)cc1OC ZINC000533293774 1007608249 /nfs/dbraw/zinc/60/82/49/1007608249.db2.gz TYSMLWUKMHTRHC-ZDUSSCGKSA-N 1 2 419.503 3.793 20 5 HHBDLO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533379835 1007693338 /nfs/dbraw/zinc/69/33/38/1007693338.db2.gz CKZVNUBORUAQGM-STQMWFEESA-N 1 2 423.395 3.522 20 5 HHBDLO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533379835 1007693341 /nfs/dbraw/zinc/69/33/41/1007693341.db2.gz CKZVNUBORUAQGM-STQMWFEESA-N 1 2 423.395 3.522 20 5 HHBDLO Cc1ccc(Sc2ccc(C[N@H+]3CCc4nn(C)c(=O)cc4C3)cc2[N+](=O)[O-])cc1 ZINC000535803032 1007812407 /nfs/dbraw/zinc/81/24/07/1007812407.db2.gz XVOSUXNJCHNUMR-UHFFFAOYSA-N 1 2 422.510 3.706 20 5 HHBDLO Cc1ccc(Sc2ccc(C[N@@H+]3CCc4nn(C)c(=O)cc4C3)cc2[N+](=O)[O-])cc1 ZINC000535803032 1007812420 /nfs/dbraw/zinc/81/24/20/1007812420.db2.gz XVOSUXNJCHNUMR-UHFFFAOYSA-N 1 2 422.510 3.706 20 5 HHBDLO CCOc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000535887146 1007906367 /nfs/dbraw/zinc/90/63/67/1007906367.db2.gz BZSJIHMYHBDTTR-QFBILLFUSA-N 1 2 421.856 3.961 20 5 HHBDLO CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000535887146 1007906371 /nfs/dbraw/zinc/90/63/71/1007906371.db2.gz BZSJIHMYHBDTTR-QFBILLFUSA-N 1 2 421.856 3.961 20 5 HHBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000539593403 1007914086 /nfs/dbraw/zinc/91/40/86/1007914086.db2.gz LOWOUJNNGRYHDL-UHFFFAOYSA-N 1 2 400.504 3.844 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533682485 1008005292 /nfs/dbraw/zinc/00/52/92/1008005292.db2.gz SWXIFNGRSRGVPD-UYAOXDASSA-N 1 2 405.857 3.882 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533682485 1008005300 /nfs/dbraw/zinc/00/53/00/1008005300.db2.gz SWXIFNGRSRGVPD-UYAOXDASSA-N 1 2 405.857 3.882 20 5 HHBDLO CC(=O)c1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000535967738 1008005774 /nfs/dbraw/zinc/00/57/74/1008005774.db2.gz YPVAJSXVVSHJTB-CYBMUJFWSA-N 1 2 415.877 3.879 20 5 HHBDLO CC(=O)c1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000535967738 1008005784 /nfs/dbraw/zinc/00/57/84/1008005784.db2.gz YPVAJSXVVSHJTB-CYBMUJFWSA-N 1 2 415.877 3.879 20 5 HHBDLO O=C1CCCCN1C1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000539822109 1008116608 /nfs/dbraw/zinc/11/66/08/1008116608.db2.gz RMMVUGPFMGWXKA-UHFFFAOYSA-N 1 2 400.504 3.695 20 5 HHBDLO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000539828250 1008122805 /nfs/dbraw/zinc/12/28/05/1008122805.db2.gz BVBFISXIEOOFOM-UHFFFAOYSA-N 1 2 410.373 3.574 20 5 HHBDLO COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000539828250 1008122808 /nfs/dbraw/zinc/12/28/08/1008122808.db2.gz BVBFISXIEOOFOM-UHFFFAOYSA-N 1 2 410.373 3.574 20 5 HHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000540047990 1008257178 /nfs/dbraw/zinc/25/71/78/1008257178.db2.gz NZUUSQXXCDEIMJ-CQSZACIVSA-N 1 2 402.882 3.925 20 5 HHBDLO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000518644423 1008377279 /nfs/dbraw/zinc/37/72/79/1008377279.db2.gz PPIRODUYRBADPU-GOSISDBHSA-N 1 2 420.872 3.753 20 5 HHBDLO O=c1cc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000545575171 1008675105 /nfs/dbraw/zinc/67/51/05/1008675105.db2.gz OAXKYWLDVIHPQM-UHFFFAOYSA-N 1 2 414.381 3.810 20 5 HHBDLO COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1C ZINC000545937556 1009007985 /nfs/dbraw/zinc/00/79/85/1009007985.db2.gz JTVSUMHTWXYODA-UHFFFAOYSA-N 1 2 414.805 3.781 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543953183 1009554029 /nfs/dbraw/zinc/55/40/29/1009554029.db2.gz AARVMEGPCPTODB-PXNSSMCTSA-N 1 2 407.392 3.506 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543953183 1009554041 /nfs/dbraw/zinc/55/40/41/1009554041.db2.gz AARVMEGPCPTODB-PXNSSMCTSA-N 1 2 407.392 3.506 20 5 HHBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](O)CC1 ZINC000550157602 1009739704 /nfs/dbraw/zinc/73/97/04/1009739704.db2.gz ARNZJZHVWBGWTC-QFBILLFUSA-N 1 2 403.866 3.775 20 5 HHBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](O)CC1 ZINC000550157602 1009739717 /nfs/dbraw/zinc/73/97/17/1009739717.db2.gz ARNZJZHVWBGWTC-QFBILLFUSA-N 1 2 403.866 3.775 20 5 HHBDLO O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000550302551 1009847174 /nfs/dbraw/zinc/84/71/74/1009847174.db2.gz WAGDTDHIVPCUKK-UHFFFAOYSA-N 1 2 403.442 3.874 20 5 HHBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000544493454 1010117395 /nfs/dbraw/zinc/11/73/95/1010117395.db2.gz VJFPUUAHUINRIO-HOTGVXAUSA-N 1 2 415.465 3.751 20 5 HHBDLO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000544657220 1010278435 /nfs/dbraw/zinc/27/84/35/1010278435.db2.gz QDBKRDWADASMFA-ZKWAXGPOSA-N 1 2 407.392 3.677 20 5 HHBDLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000544657220 1010278446 /nfs/dbraw/zinc/27/84/46/1010278446.db2.gz QDBKRDWADASMFA-ZKWAXGPOSA-N 1 2 407.392 3.677 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1OC ZINC000541057791 1011698424 /nfs/dbraw/zinc/69/84/24/1011698424.db2.gz ATEGYBQYSKLCCQ-WPKBUWHJSA-N 1 2 420.428 3.916 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1OC ZINC000541057791 1011698430 /nfs/dbraw/zinc/69/84/30/1011698430.db2.gz ATEGYBQYSKLCCQ-WPKBUWHJSA-N 1 2 420.428 3.916 20 5 HHBDLO COc1sc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1Br ZINC000536680165 1011843664 /nfs/dbraw/zinc/84/36/64/1011843664.db2.gz FFYXMZIUSHMKMK-SNVBAGLBSA-N 1 2 413.297 3.509 20 5 HHBDLO COc1sc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1Br ZINC000536680165 1011843668 /nfs/dbraw/zinc/84/36/68/1011843668.db2.gz FFYXMZIUSHMKMK-SNVBAGLBSA-N 1 2 413.297 3.509 20 5 HHBDLO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000523608694 1012178356 /nfs/dbraw/zinc/17/83/56/1012178356.db2.gz XYTZXXZEKYTXBM-UHFFFAOYSA-N 1 2 402.447 3.759 20 5 HHBDLO COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000523608694 1012178367 /nfs/dbraw/zinc/17/83/67/1012178367.db2.gz XYTZXXZEKYTXBM-UHFFFAOYSA-N 1 2 402.447 3.759 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536917647 1012194608 /nfs/dbraw/zinc/19/46/08/1012194608.db2.gz XCSKRNRTFJYIOZ-HKUYNNGSSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536917647 1012194619 /nfs/dbraw/zinc/19/46/19/1012194619.db2.gz XCSKRNRTFJYIOZ-HKUYNNGSSA-N 1 2 421.856 3.961 20 5 HHBDLO Cn1ccnc1[C@@H]([NH2+]CCOCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000552275025 1012289261 /nfs/dbraw/zinc/28/92/61/1012289261.db2.gz IUFBRCLKQZUARJ-IBGZPJMESA-N 1 2 400.866 3.878 20 5 HHBDLO COCc1ccccc1/C=C(/C)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000552415226 1012430776 /nfs/dbraw/zinc/43/07/76/1012430776.db2.gz YKAIDEQOSGELSZ-SDXDJHTJSA-N 1 2 409.486 3.603 20 5 HHBDLO CCc1ccc(C[NH+]2CCN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)s1 ZINC000541673288 1012502896 /nfs/dbraw/zinc/50/28/96/1012502896.db2.gz SUDHPECWDAVOLF-CQSZACIVSA-N 1 2 405.495 3.806 20 5 HHBDLO C[C@@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000537161383 1012561476 /nfs/dbraw/zinc/56/14/76/1012561476.db2.gz IQXUUKPNLLNEDN-HSRKRZFJSA-N 1 2 400.460 3.794 20 5 HHBDLO CC(C)(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)Oc1cc(F)cc(F)c1 ZINC000552721602 1012730880 /nfs/dbraw/zinc/73/08/80/1012730880.db2.gz ZPWXHUNIDRAYQT-UHFFFAOYSA-N 1 2 416.384 3.646 20 5 HHBDLO CC(C)Oc1cc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)ccc1[N+](=O)[O-] ZINC000904498207 1071794975 /nfs/dbraw/zinc/79/49/75/1071794975.db2.gz XUGZJYPDLNPUNN-UHFFFAOYSA-N 1 2 424.457 3.931 20 5 HHBDLO O=C(CN1CC[NH+](C/C=C\c2ccccc2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000912724138 1072271389 /nfs/dbraw/zinc/27/13/89/1072271389.db2.gz PTUJJJFSJYGPQA-DAXSKMNVSA-N 1 2 414.893 3.518 20 5 HHBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000554877473 1072921425 /nfs/dbraw/zinc/92/14/25/1072921425.db2.gz JIFOPNLTTRVGKJ-UHFFFAOYSA-N 1 2 409.446 3.577 20 5 HHBDLO O=[N+]([O-])c1cc(C(F)F)ccc1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000590574669 1073923859 /nfs/dbraw/zinc/92/38/59/1073923859.db2.gz HOMNDORKFLZMSM-UHFFFAOYSA-N 1 2 407.417 3.856 20 5 HHBDLO C[NH+](C)[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000301700581 971032996 /nfs/dbraw/zinc/03/29/96/971032996.db2.gz SFDJZVIVDDWUAB-CYBMUJFWSA-N 1 2 401.211 3.745 20 5 HHBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c1 ZINC000302187732 971202208 /nfs/dbraw/zinc/20/22/08/971202208.db2.gz QAWIJTSQGKCQPH-MOPGFXCFSA-N 1 2 419.865 3.519 20 5 HHBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000302187732 971202211 /nfs/dbraw/zinc/20/22/11/971202211.db2.gz QAWIJTSQGKCQPH-MOPGFXCFSA-N 1 2 419.865 3.519 20 5 HHBDLO C[C@]1(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000302458418 971239788 /nfs/dbraw/zinc/23/97/88/971239788.db2.gz UEJZWOUNVRCCCF-GOSISDBHSA-N 1 2 409.533 3.526 20 5 HHBDLO C[C@]1(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000302458418 971239791 /nfs/dbraw/zinc/23/97/91/971239791.db2.gz UEJZWOUNVRCCCF-GOSISDBHSA-N 1 2 409.533 3.526 20 5 HHBDLO COc1ccc(CC2CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CC2)cc1 ZINC000303087490 971497220 /nfs/dbraw/zinc/49/72/20/971497220.db2.gz HBTZKNVVFQJNRD-UHFFFAOYSA-N 1 2 420.469 3.884 20 5 HHBDLO O=[N+]([O-])c1cc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)ccc1NC1CC1 ZINC000303615934 971900854 /nfs/dbraw/zinc/90/08/54/971900854.db2.gz OZZJYOFMXLYUBL-UHFFFAOYSA-N 1 2 421.457 3.718 20 5 HHBDLO COc1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000537616059 1013157281 /nfs/dbraw/zinc/15/72/81/1013157281.db2.gz UQTGKMIYPKWKGX-HNNXBMFYSA-N 1 2 402.422 3.846 20 5 HHBDLO COc1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000537616059 1013157284 /nfs/dbraw/zinc/15/72/84/1013157284.db2.gz UQTGKMIYPKWKGX-HNNXBMFYSA-N 1 2 402.422 3.846 20 5 HHBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CCNc3ccccc3[N+](=O)[O-])n2)C1 ZINC000011376297 962070330 /nfs/dbraw/zinc/07/03/30/962070330.db2.gz CNDYSHMJNXKMGG-CQSZACIVSA-N 1 2 403.508 3.724 20 5 HHBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CCNc3ccccc3[N+](=O)[O-])n2)C1 ZINC000011376297 962070342 /nfs/dbraw/zinc/07/03/42/962070342.db2.gz CNDYSHMJNXKMGG-CQSZACIVSA-N 1 2 403.508 3.724 20 5 HHBDLO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000020000158 963375880 /nfs/dbraw/zinc/37/58/80/963375880.db2.gz CEYRWHQARMXCPT-KRWDZBQOSA-N 1 2 411.911 3.610 20 5 HHBDLO CCc1ccc([C@H]([NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542481718 1013429616 /nfs/dbraw/zinc/42/96/16/1013429616.db2.gz APVWJVRRXQSELL-JTHBVZDNSA-N 1 2 414.550 3.701 20 5 HHBDLO C[C@H]1CCCN(c2ccc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)cc2[N+](=O)[O-])C1 ZINC000023608287 963860251 /nfs/dbraw/zinc/86/02/51/963860251.db2.gz VCODSFWHHVNMKA-ZDUSSCGKSA-N 1 2 415.519 3.528 20 5 HHBDLO C[C@H]1CCCN(c2ccc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)cc2[N+](=O)[O-])C1 ZINC000023608287 963860254 /nfs/dbraw/zinc/86/02/54/963860254.db2.gz VCODSFWHHVNMKA-ZDUSSCGKSA-N 1 2 415.519 3.528 20 5 HHBDLO CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000023707147 963880041 /nfs/dbraw/zinc/88/00/41/963880041.db2.gz LHTZBYXUBSWKNV-UHFFFAOYSA-N 1 2 410.518 3.544 20 5 HHBDLO CC(C)NC(=O)c1ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000028740059 965173218 /nfs/dbraw/zinc/17/32/18/965173218.db2.gz BHOARYJITZMYET-UHFFFAOYSA-N 1 2 416.909 3.709 20 5 HHBDLO COC(=O)c1ccccc1C(=O)c1ccc(NCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000029376285 965363791 /nfs/dbraw/zinc/36/37/91/965363791.db2.gz TYSBVDSLYUPRTI-UHFFFAOYSA-N 1 2 420.425 3.531 20 5 HHBDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000060442189 966145186 /nfs/dbraw/zinc/14/51/86/966145186.db2.gz QZNXMVXHBNIVBX-UHFFFAOYSA-N 1 2 408.458 3.923 20 5 HHBDLO CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000032041152 966181384 /nfs/dbraw/zinc/18/13/84/966181384.db2.gz IHBNCSJQOOPXLD-UHFFFAOYSA-N 1 2 407.430 3.515 20 5 HHBDLO O=C(NCc1csc(-c2ccccc2)n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032057900 966185585 /nfs/dbraw/zinc/18/55/85/966185585.db2.gz AVHOEQRGGCTSSO-UHFFFAOYSA-N 1 2 405.439 3.834 20 5 HHBDLO O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032175924 966199742 /nfs/dbraw/zinc/19/97/42/966199742.db2.gz UHYMWBVLCRNGOH-UHFFFAOYSA-N 1 2 402.370 3.615 20 5 HHBDLO CC1CCN(c2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000061172037 966389053 /nfs/dbraw/zinc/38/90/53/966389053.db2.gz HFRSTFISFRBEFE-HSZRJFAPSA-N 1 2 422.529 3.960 20 5 HHBDLO CC1CCN(c2ccc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000061172037 966389064 /nfs/dbraw/zinc/38/90/64/966389064.db2.gz HFRSTFISFRBEFE-HSZRJFAPSA-N 1 2 422.529 3.960 20 5 HHBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000041399673 966556191 /nfs/dbraw/zinc/55/61/91/966556191.db2.gz DCVQYKNDFIRFAA-QGZVFWFLSA-N 1 2 406.845 3.658 20 5 HHBDLO Cc1ccc(C)c(OC2CC[NH+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2)c1 ZINC000064631718 967254052 /nfs/dbraw/zinc/25/40/52/967254052.db2.gz PRRJBTWGQOMEPH-UHFFFAOYSA-N 1 2 409.486 3.644 20 5 HHBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065095332 967375447 /nfs/dbraw/zinc/37/54/47/967375447.db2.gz VUKCRWQOYAOEGD-UHFFFAOYSA-N 1 2 419.466 3.893 20 5 HHBDLO O=C(c1ccncc1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000046120863 967667380 /nfs/dbraw/zinc/66/73/80/967667380.db2.gz LIBQQGGMOKEOEK-UHFFFAOYSA-N 1 2 408.483 3.676 20 5 HHBDLO O=C(NCc1cc(Br)cs1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000046255357 967714216 /nfs/dbraw/zinc/71/42/16/967714216.db2.gz SRQUHLIMXLOZBB-UHFFFAOYSA-N 1 2 407.249 3.535 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000065957215 968736805 /nfs/dbraw/zinc/73/68/05/968736805.db2.gz HCEGJTJRBTVBJL-INIZCTEOSA-N 1 2 412.490 3.531 20 5 HHBDLO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)[NH+]2CCOCC2)cc1 ZINC000071840366 968868798 /nfs/dbraw/zinc/86/87/98/968868798.db2.gz KJYWMZYNSAZBCW-NRFANRHFSA-N 1 2 408.458 3.637 20 5 HHBDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c(OC)c1 ZINC000106042917 969283990 /nfs/dbraw/zinc/28/39/90/969283990.db2.gz PVGDMKFAMHGZKE-SFHVURJKSA-N 1 2 410.430 3.999 20 5 HHBDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c(OC)c1 ZINC000106042917 969283995 /nfs/dbraw/zinc/28/39/95/969283995.db2.gz PVGDMKFAMHGZKE-SFHVURJKSA-N 1 2 410.430 3.999 20 5 HHBDLO CCCCCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000116287119 969884261 /nfs/dbraw/zinc/88/42/61/969884261.db2.gz DLHBTXNBRUMUAL-OAHLLOKOSA-N 1 2 424.929 3.595 20 5 HHBDLO CCCCCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000116287119 969884268 /nfs/dbraw/zinc/88/42/68/969884268.db2.gz DLHBTXNBRUMUAL-OAHLLOKOSA-N 1 2 424.929 3.595 20 5 HHBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000140731086 970085272 /nfs/dbraw/zinc/08/52/72/970085272.db2.gz NFTYQSMPGBZBBU-IBGZPJMESA-N 1 2 408.433 3.622 20 5 HHBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000140731086 970085280 /nfs/dbraw/zinc/08/52/80/970085280.db2.gz NFTYQSMPGBZBBU-IBGZPJMESA-N 1 2 408.433 3.622 20 5 HHBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000247327303 970470114 /nfs/dbraw/zinc/47/01/14/970470114.db2.gz NPWKJYPBCMPWBA-QPJJXVBHSA-N 1 2 406.486 3.640 20 5 HHBDLO Cc1cccn2cc(CC(=O)Nc3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)[nH+]c12 ZINC000261395866 970649707 /nfs/dbraw/zinc/64/97/07/970649707.db2.gz BTVVIBOYZSAZRX-UHFFFAOYSA-N 1 2 414.421 3.963 20 5 HHBDLO COc1ccc([N+](=O)[O-])c(Cc2noc(Cn3c(C)[nH+]c4cc(F)c(F)cc43)n2)c1 ZINC000554823206 1014060443 /nfs/dbraw/zinc/06/04/43/1014060443.db2.gz GCBNJSMXSUZRLM-UHFFFAOYSA-N 1 2 415.356 3.562 20 5 HHBDLO O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000426454867 974461166 /nfs/dbraw/zinc/46/11/66/974461166.db2.gz AOYFIQVMONDHGK-QGZVFWFLSA-N 1 2 406.442 3.917 20 5 HHBDLO CCOC1(C)CC[NH+](Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000428724888 976012549 /nfs/dbraw/zinc/01/25/49/976012549.db2.gz NVELJLCRIJLMFW-UHFFFAOYSA-N 1 2 404.248 3.590 20 5 HHBDLO C[C@@]12CC[N@H+](CC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)C[C@@H]1C2(F)F ZINC000428739002 976019381 /nfs/dbraw/zinc/01/93/81/976019381.db2.gz CJKAAQIRMLVUIS-WMLDXEAASA-N 1 2 408.430 3.634 20 5 HHBDLO C[C@@]12CC[N@@H+](CC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)C[C@@H]1C2(F)F ZINC000428739002 976019393 /nfs/dbraw/zinc/01/93/93/976019393.db2.gz CJKAAQIRMLVUIS-WMLDXEAASA-N 1 2 408.430 3.634 20 5 HHBDLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000429007554 976288356 /nfs/dbraw/zinc/28/83/56/976288356.db2.gz MDIGYFKHDOOCPJ-ZDUSSCGKSA-N 1 2 421.856 3.965 20 5 HHBDLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000429007554 976288367 /nfs/dbraw/zinc/28/83/67/976288367.db2.gz MDIGYFKHDOOCPJ-ZDUSSCGKSA-N 1 2 421.856 3.965 20 5 HHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000429015373 976296749 /nfs/dbraw/zinc/29/67/49/976296749.db2.gz XZEZZSRZMDUOSK-CQSZACIVSA-N 1 2 403.635 3.973 20 5 HHBDLO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000429121637 976406014 /nfs/dbraw/zinc/40/60/14/976406014.db2.gz MCFVTKLVEVALNU-UHFFFAOYSA-N 1 2 408.911 3.718 20 5 HHBDLO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000429121637 976406019 /nfs/dbraw/zinc/40/60/19/976406019.db2.gz MCFVTKLVEVALNU-UHFFFAOYSA-N 1 2 408.911 3.718 20 5 HHBDLO Cc1noc(C[C@H]([NH2+][C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc2)n1 ZINC000431190822 978085845 /nfs/dbraw/zinc/08/58/45/978085845.db2.gz CHWSNVIUJQZGOM-UGSOOPFHSA-N 1 2 420.429 3.971 20 5 HHBDLO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2[N+](=O)[O-])C1 ZINC000433961818 979719239 /nfs/dbraw/zinc/71/92/39/979719239.db2.gz WLDUYNARUMHVCC-ABSDTBQOSA-N 1 2 424.501 3.766 20 5 HHBDLO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000434674498 980332795 /nfs/dbraw/zinc/33/27/95/980332795.db2.gz VKTRDPKKPQVFES-UHFFFAOYSA-N 1 2 400.406 3.695 20 5 HHBDLO COc1cc(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)c([N+](=O)[O-])cc1OC ZINC000435061486 980605402 /nfs/dbraw/zinc/60/54/02/980605402.db2.gz ZWJVHEBGKLBSMT-UHFFFAOYSA-N 1 2 400.479 3.524 20 5 HHBDLO COc1cc(CN2CCC(c3[nH+]cc4n3CCCC4)CC2)c([N+](=O)[O-])cc1OC ZINC000435061486 980605404 /nfs/dbraw/zinc/60/54/04/980605404.db2.gz ZWJVHEBGKLBSMT-UHFFFAOYSA-N 1 2 400.479 3.524 20 5 HHBDLO CN(CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1ccccc1[N+](=O)[O-] ZINC000436201979 981247748 /nfs/dbraw/zinc/24/77/48/981247748.db2.gz VWRBEOHKIUQHSG-UHFFFAOYSA-N 1 2 405.458 3.870 20 5 HHBDLO O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(n2cc[nH+]c2)CC1 ZINC000436253287 981270542 /nfs/dbraw/zinc/27/05/42/981270542.db2.gz OQVYXCXHDQFZEM-UHFFFAOYSA-N 1 2 408.408 3.633 20 5 HHBDLO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436871962 981598117 /nfs/dbraw/zinc/59/81/17/981598117.db2.gz VKIAAVCYGFEBJN-UHFFFAOYSA-N 1 2 411.380 3.523 20 5 HHBDLO CC(C)n1cnnc1-c1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000439644911 983481665 /nfs/dbraw/zinc/48/16/65/983481665.db2.gz LXAHJSSYAAIXKL-UHFFFAOYSA-N 1 2 417.429 3.872 20 5 HHBDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000439806670 983546002 /nfs/dbraw/zinc/54/60/02/983546002.db2.gz PAPNELZFPSVVPA-KSFYIVLOSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000439806670 983546004 /nfs/dbraw/zinc/54/60/04/983546004.db2.gz PAPNELZFPSVVPA-KSFYIVLOSA-N 1 2 410.518 3.979 20 5 HHBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000440545499 983791262 /nfs/dbraw/zinc/79/12/62/983791262.db2.gz JSHZAWRCDKTIQM-FSNCLGKMSA-N 1 2 401.507 3.900 20 5 HHBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000440545499 983791263 /nfs/dbraw/zinc/79/12/63/983791263.db2.gz JSHZAWRCDKTIQM-FSNCLGKMSA-N 1 2 401.507 3.900 20 5 HHBDLO CCc1nnc(-c2cccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)c2)o1 ZINC000440595804 983807692 /nfs/dbraw/zinc/80/76/92/983807692.db2.gz IVROHTWDPOPHGA-UHFFFAOYSA-N 1 2 404.386 3.645 20 5 HHBDLO CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)Cc2ccccc21 ZINC000441135370 984084452 /nfs/dbraw/zinc/08/44/52/984084452.db2.gz MRUXAVRJPXRSBQ-IFXJQAMLSA-N 1 2 422.441 3.868 20 5 HHBDLO CCOC(=O)[C@@H]1C[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)Cc2ccccc21 ZINC000441135370 984084461 /nfs/dbraw/zinc/08/44/61/984084461.db2.gz MRUXAVRJPXRSBQ-IFXJQAMLSA-N 1 2 422.441 3.868 20 5 HHBDLO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)Cc2ccccc21 ZINC000441135369 984084505 /nfs/dbraw/zinc/08/45/05/984084505.db2.gz MRUXAVRJPXRSBQ-AUUYWEPGSA-N 1 2 422.441 3.868 20 5 HHBDLO CCOC(=O)[C@@H]1C[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)Cc2ccccc21 ZINC000441135369 984084511 /nfs/dbraw/zinc/08/45/11/984084511.db2.gz MRUXAVRJPXRSBQ-AUUYWEPGSA-N 1 2 422.441 3.868 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441674538 984388231 /nfs/dbraw/zinc/38/82/31/984388231.db2.gz WGRARBSFNQAZDP-LJQANCHMSA-N 1 2 409.446 3.980 20 5 HHBDLO COc1cc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000462871720 985796778 /nfs/dbraw/zinc/79/67/78/985796778.db2.gz REAMGPUIOXHHCN-KRWDZBQOSA-N 1 2 422.428 3.632 20 5 HHBDLO COc1cc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000462871720 985796789 /nfs/dbraw/zinc/79/67/89/985796789.db2.gz REAMGPUIOXHHCN-KRWDZBQOSA-N 1 2 422.428 3.632 20 5 HHBDLO CNc1c(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000462987289 985936067 /nfs/dbraw/zinc/93/60/67/985936067.db2.gz HWIDWQGIEGDGCN-UHFFFAOYSA-N 1 2 419.445 3.525 20 5 HHBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000463033655 985992187 /nfs/dbraw/zinc/99/21/87/985992187.db2.gz LFHVRCMEMABZBL-CQSZACIVSA-N 1 2 405.495 3.978 20 5 HHBDLO Cc1cn2c([nH+]1)[C@@H](CNc1c3cc(Br)ccc3ncc1[N+](=O)[O-])CCC2 ZINC000443897931 986095731 /nfs/dbraw/zinc/09/57/31/986095731.db2.gz PTDFQSFWYAEFRZ-GFCCVEGCSA-N 1 2 416.279 3.822 20 5 HHBDLO Cc1cc(N2CCN(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)nc(C(C)C)[nH+]1 ZINC000443967714 986175253 /nfs/dbraw/zinc/17/52/53/986175253.db2.gz ZHECQKDOVPEETN-UHFFFAOYSA-N 1 2 412.494 3.788 20 5 HHBDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000463436530 986412541 /nfs/dbraw/zinc/41/25/41/986412541.db2.gz AXVAPPFESQBJDC-GHTZIAJQSA-N 1 2 405.458 3.727 20 5 HHBDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000463436530 986412544 /nfs/dbraw/zinc/41/25/44/986412544.db2.gz AXVAPPFESQBJDC-GHTZIAJQSA-N 1 2 405.458 3.727 20 5 HHBDLO CCO[C@@H](C)c1nc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cs1 ZINC000444243222 986435065 /nfs/dbraw/zinc/43/50/65/986435065.db2.gz OWWREEZFNAVCPQ-AWEZNQCLSA-N 1 2 406.508 3.918 20 5 HHBDLO CCO[C@@H](C)c1nc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cs1 ZINC000444243222 986435069 /nfs/dbraw/zinc/43/50/69/986435069.db2.gz OWWREEZFNAVCPQ-AWEZNQCLSA-N 1 2 406.508 3.918 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000444345562 986526536 /nfs/dbraw/zinc/52/65/36/986526536.db2.gz SIBNVBXFFNHUOV-FUHWJXTLSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000444345562 986526547 /nfs/dbraw/zinc/52/65/47/986526547.db2.gz SIBNVBXFFNHUOV-FUHWJXTLSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000444345564 986526905 /nfs/dbraw/zinc/52/69/05/986526905.db2.gz SIBNVBXFFNHUOV-WMZOPIPTSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000444345564 986526912 /nfs/dbraw/zinc/52/69/12/986526912.db2.gz SIBNVBXFFNHUOV-WMZOPIPTSA-N 1 2 421.856 3.961 20 5 HHBDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444829451 986986275 /nfs/dbraw/zinc/98/62/75/986986275.db2.gz OVIJKQUPXSKHOC-UHFFFAOYSA-N 1 2 413.477 3.766 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445175760 987259791 /nfs/dbraw/zinc/25/97/91/987259791.db2.gz CUDKWMARMSXFFO-UHFFFAOYSA-N 1 2 412.493 3.997 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2nc(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)cs2)c1 ZINC000445814680 987876455 /nfs/dbraw/zinc/87/64/55/987876455.db2.gz AWYJGWJNLUHBQI-GDBMZVCRSA-N 1 2 413.459 3.694 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2nc(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)cs2)c1 ZINC000445814680 987876462 /nfs/dbraw/zinc/87/64/62/987876462.db2.gz AWYJGWJNLUHBQI-GDBMZVCRSA-N 1 2 413.459 3.694 20 5 HHBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000470366334 988329829 /nfs/dbraw/zinc/32/98/29/988329829.db2.gz WTLJAXAMJJUMCB-FQEVSTJZSA-N 1 2 407.474 3.691 20 5 HHBDLO CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464771497 988994536 /nfs/dbraw/zinc/99/45/36/988994536.db2.gz FLPJZAODLNNIHT-INIZCTEOSA-N 1 2 413.474 3.864 20 5 HHBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](COC)Cc1ccccc1 ZINC000471461376 989648498 /nfs/dbraw/zinc/64/84/98/989648498.db2.gz XZOGMGCDMKRGDQ-LJQANCHMSA-N 1 2 408.458 3.500 20 5 HHBDLO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000471607990 989812411 /nfs/dbraw/zinc/81/24/11/989812411.db2.gz ANELRDQYLSDWGR-VQIMIIECSA-N 1 2 407.474 3.793 20 5 HHBDLO COc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000471945172 990109580 /nfs/dbraw/zinc/10/95/80/990109580.db2.gz VIBZZWISYODFMC-QAPCUYQASA-N 1 2 422.844 3.963 20 5 HHBDLO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000471945172 990109590 /nfs/dbraw/zinc/10/95/90/990109590.db2.gz VIBZZWISYODFMC-QAPCUYQASA-N 1 2 422.844 3.963 20 5 HHBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466590972 991906770 /nfs/dbraw/zinc/90/67/70/991906770.db2.gz QUGDZTXTNYCSHS-UHFFFAOYSA-N 1 2 413.865 3.535 20 5 HHBDLO C[N@H+](Cc1csc(Br)c1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000467191537 992514121 /nfs/dbraw/zinc/51/41/21/992514121.db2.gz PIIUADCYRJAJFA-AWEZNQCLSA-N 1 2 410.293 3.656 20 5 HHBDLO C[N@@H+](Cc1csc(Br)c1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000467191537 992514127 /nfs/dbraw/zinc/51/41/27/992514127.db2.gz PIIUADCYRJAJFA-AWEZNQCLSA-N 1 2 410.293 3.656 20 5 HHBDLO Cc1cc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000473767548 994685908 /nfs/dbraw/zinc/68/59/08/994685908.db2.gz USOJYYBLOWMGTA-OALUTQOASA-N 1 2 418.881 3.750 20 5 HHBDLO Cc1cc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000473767548 994685910 /nfs/dbraw/zinc/68/59/10/994685910.db2.gz USOJYYBLOWMGTA-OALUTQOASA-N 1 2 418.881 3.750 20 5 HHBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000481855149 994712357 /nfs/dbraw/zinc/71/23/57/994712357.db2.gz UVSZZSQPUFNEIK-UHFFFAOYSA-N 1 2 410.499 3.924 20 5 HHBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000474646956 995592043 /nfs/dbraw/zinc/59/20/43/995592043.db2.gz KRWGASFOUPLJRP-UHFFFAOYSA-N 1 2 405.907 3.758 20 5 HHBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000474646956 995592052 /nfs/dbraw/zinc/59/20/52/995592052.db2.gz KRWGASFOUPLJRP-UHFFFAOYSA-N 1 2 405.907 3.758 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2nc(CNc3cc(CSCCO)cc[nH+]3)cs2)c1 ZINC000482782684 995745714 /nfs/dbraw/zinc/74/57/14/995745714.db2.gz QRVXVHRGQSSWHZ-UHFFFAOYSA-N 1 2 402.501 3.951 20 5 HHBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc(OC(F)(F)F)c1 ZINC000483914683 996465742 /nfs/dbraw/zinc/46/57/42/996465742.db2.gz LDFVYABDFLEUND-UHFFFAOYSA-N 1 2 406.320 3.956 20 5 HHBDLO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000484915978 997290020 /nfs/dbraw/zinc/29/00/20/997290020.db2.gz ISUSSISQMHUGPI-QGZVFWFLSA-N 1 2 405.458 3.950 20 5 HHBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000485316112 997726030 /nfs/dbraw/zinc/72/60/30/997726030.db2.gz PWKJYNBDBZUVEH-UHFFFAOYSA-N 1 2 409.421 3.794 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000485708901 998175202 /nfs/dbraw/zinc/17/52/02/998175202.db2.gz OAZOHYXMWYCLDB-IBGZPJMESA-N 1 2 410.518 3.837 20 5 HHBDLO CCc1ccccc1NC(=O)CN1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000485709967 998177412 /nfs/dbraw/zinc/17/74/12/998177412.db2.gz QSPJSNPSVTWLJO-SFHVURJKSA-N 1 2 410.518 3.783 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000485803457 998272129 /nfs/dbraw/zinc/27/21/29/998272129.db2.gz XYHLDDRMWLRQSU-OAHLLOKOSA-N 1 2 413.503 3.894 20 5 HHBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000477644319 998360896 /nfs/dbraw/zinc/36/08/96/998360896.db2.gz QYVUDMMCVBAEMW-RXVVDRJESA-N 1 2 422.485 3.952 20 5 HHBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000477644319 998360908 /nfs/dbraw/zinc/36/09/08/998360908.db2.gz QYVUDMMCVBAEMW-RXVVDRJESA-N 1 2 422.485 3.952 20 5 HHBDLO CCS[C@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000485976068 998417904 /nfs/dbraw/zinc/41/79/04/998417904.db2.gz GOAKGPPBKFHTEG-CYBMUJFWSA-N 1 2 407.496 3.561 20 5 HHBDLO CCS[C@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000485976068 998417914 /nfs/dbraw/zinc/41/79/14/998417914.db2.gz GOAKGPPBKFHTEG-CYBMUJFWSA-N 1 2 407.496 3.561 20 5 HHBDLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000486024497 998470689 /nfs/dbraw/zinc/47/06/89/998470689.db2.gz WCCNSUHPLQSLJR-UHFFFAOYSA-N 1 2 409.446 3.666 20 5 HHBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000478019857 998716975 /nfs/dbraw/zinc/71/69/75/998716975.db2.gz SSPPXEAECLZQGL-UHFFFAOYSA-N 1 2 403.398 3.859 20 5 HHBDLO CCc1nc2c(s1)[C@H]([N@H+](C)CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)CCC2 ZINC000478037071 998727550 /nfs/dbraw/zinc/72/75/50/998727550.db2.gz XMPQRXRIAREENA-QGZVFWFLSA-N 1 2 400.504 3.512 20 5 HHBDLO CCc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)CCC2 ZINC000478037071 998727555 /nfs/dbraw/zinc/72/75/55/998727555.db2.gz XMPQRXRIAREENA-QGZVFWFLSA-N 1 2 400.504 3.512 20 5 HHBDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)no1 ZINC000478371285 998922491 /nfs/dbraw/zinc/92/24/91/998922491.db2.gz DEFDQOWMMAQHRP-KRWDZBQOSA-N 1 2 415.494 3.536 20 5 HHBDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)no1 ZINC000478371285 998922494 /nfs/dbraw/zinc/92/24/94/998922494.db2.gz DEFDQOWMMAQHRP-KRWDZBQOSA-N 1 2 415.494 3.536 20 5 HHBDLO CCOCC[NH+]1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000487758859 999279406 /nfs/dbraw/zinc/27/94/06/999279406.db2.gz SAKAYTDSZKBUBN-UHFFFAOYSA-N 1 2 415.515 3.540 20 5 HHBDLO Cc1cc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n(-c2ccccc2F)n1 ZINC000490818514 1000011349 /nfs/dbraw/zinc/01/13/49/1000011349.db2.gz KFADRLWTOPIPSF-UHFFFAOYSA-N 1 2 423.448 3.831 20 5 HHBDLO Cc1cc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n(-c2ccccc2F)n1 ZINC000490818514 1000011351 /nfs/dbraw/zinc/01/13/51/1000011351.db2.gz KFADRLWTOPIPSF-UHFFFAOYSA-N 1 2 423.448 3.831 20 5 HHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494293396 1000416588 /nfs/dbraw/zinc/41/65/88/1000416588.db2.gz OWWLRYRGUUUZPC-LLVKDONJSA-N 1 2 410.243 3.955 20 5 HHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494293396 1000416592 /nfs/dbraw/zinc/41/65/92/1000416592.db2.gz OWWLRYRGUUUZPC-LLVKDONJSA-N 1 2 410.243 3.955 20 5 HHBDLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000505616223 1000936004 /nfs/dbraw/zinc/93/60/04/1000936004.db2.gz ZBMYNFAZQFIHPI-MRXNPFEDSA-N 1 2 422.327 3.673 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)c1 ZINC000506092907 1001216354 /nfs/dbraw/zinc/21/63/54/1001216354.db2.gz AIYQRRJVRRTXOU-KRWDZBQOSA-N 1 2 408.414 3.753 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)c1 ZINC000506092907 1001216366 /nfs/dbraw/zinc/21/63/66/1001216366.db2.gz AIYQRRJVRRTXOU-KRWDZBQOSA-N 1 2 408.414 3.753 20 5 HHBDLO COc1ccc([C@H]2C[C@H](NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C2)cc1F ZINC000506315063 1001349208 /nfs/dbraw/zinc/34/92/08/1001349208.db2.gz BVQVUJMHIJVLTF-WKILWMFISA-N 1 2 410.405 3.604 20 5 HHBDLO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000497464664 1001380425 /nfs/dbraw/zinc/38/04/25/1001380425.db2.gz HFOQPJJPYCCACL-UHFFFAOYSA-N 1 2 403.866 3.596 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497495295 1001401142 /nfs/dbraw/zinc/40/11/42/1001401142.db2.gz XRRFWFCYVKPHDE-FPOVZHCZSA-N 1 2 418.444 3.627 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497495295 1001401143 /nfs/dbraw/zinc/40/11/43/1001401143.db2.gz XRRFWFCYVKPHDE-FPOVZHCZSA-N 1 2 418.444 3.627 20 5 HHBDLO CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000506778261 1001525277 /nfs/dbraw/zinc/52/52/77/1001525277.db2.gz QGRJWFLGPIOJMN-UHFFFAOYSA-N 1 2 417.437 3.840 20 5 HHBDLO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000506778261 1001525280 /nfs/dbraw/zinc/52/52/80/1001525280.db2.gz QGRJWFLGPIOJMN-UHFFFAOYSA-N 1 2 417.437 3.840 20 5 HHBDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000498829798 1002214496 /nfs/dbraw/zinc/21/44/96/1002214496.db2.gz ZLDHESLHHMZDBL-ROUUACIJSA-N 1 2 424.284 3.703 20 5 HHBDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000498829798 1002214506 /nfs/dbraw/zinc/21/45/06/1002214506.db2.gz ZLDHESLHHMZDBL-ROUUACIJSA-N 1 2 424.284 3.703 20 5 HHBDLO Cc1nc(C2([NH2+]CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CCCCCC2)no1 ZINC000507690725 1002282467 /nfs/dbraw/zinc/28/24/67/1002282467.db2.gz APQBCPHZYFIGNT-UHFFFAOYSA-N 1 2 401.467 3.763 20 5 HHBDLO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000499059928 1002443151 /nfs/dbraw/zinc/44/31/51/1002443151.db2.gz JIKLNFHIKWZVCB-UHFFFAOYSA-N 1 2 411.384 3.545 20 5 HHBDLO C[S@@](=O)C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000508676863 1003115213 /nfs/dbraw/zinc/11/52/13/1003115213.db2.gz JSBXBEOPPVBSAS-XRHLQHRESA-N 1 2 401.513 3.928 20 5 HHBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(-n2cccn2)c(F)c1 ZINC000508786842 1003216092 /nfs/dbraw/zinc/21/60/92/1003216092.db2.gz VFAFJAWICSMJDI-AWEZNQCLSA-N 1 2 420.404 3.596 20 5 HHBDLO COc1cccc(C2(F)CC[NH+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000500152003 1003508372 /nfs/dbraw/zinc/50/83/72/1003508372.db2.gz GMYHDIPGKIQCCI-UHFFFAOYSA-N 1 2 401.438 3.811 20 5 HHBDLO COc1cccc(C2(F)CC[NH+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000500174248 1003525390 /nfs/dbraw/zinc/52/53/90/1003525390.db2.gz USANGDSKVBSQFZ-UHFFFAOYSA-N 1 2 401.438 3.811 20 5 HHBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)CC2)c1 ZINC000509072561 1003533139 /nfs/dbraw/zinc/53/31/39/1003533139.db2.gz UYPHQJJOAWLISC-OAHLLOKOSA-N 1 2 414.462 3.523 20 5 HHBDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)cn1 ZINC000500715807 1003916563 /nfs/dbraw/zinc/91/65/63/1003916563.db2.gz OYDJTDNYMSENBX-UHFFFAOYSA-N 1 2 422.510 3.985 20 5 HHBDLO O=[N+]([O-])c1ccc2[nH]cc(-c3nc([C@@H]4C[N@H+](Cc5ccccc5)CCO4)no3)c2c1 ZINC000500829894 1003987871 /nfs/dbraw/zinc/98/78/71/1003987871.db2.gz AMHPUNKBQWYOKV-IBGZPJMESA-N 1 2 405.414 3.700 20 5 HHBDLO O=[N+]([O-])c1ccc2[nH]cc(-c3nc([C@@H]4C[N@@H+](Cc5ccccc5)CCO4)no3)c2c1 ZINC000500829894 1003987878 /nfs/dbraw/zinc/98/78/78/1003987878.db2.gz AMHPUNKBQWYOKV-IBGZPJMESA-N 1 2 405.414 3.700 20 5 HHBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(n3cc(Br)cn3)CC2)c(F)c1 ZINC000509669599 1004017545 /nfs/dbraw/zinc/01/75/45/1004017545.db2.gz XESHIYAVWSYIGJ-UHFFFAOYSA-N 1 2 401.211 3.669 20 5 HHBDLO COc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c2ccccc12 ZINC000509771751 1004085852 /nfs/dbraw/zinc/08/58/52/1004085852.db2.gz HURBMLMLSBWIBE-UHFFFAOYSA-N 1 2 411.483 3.776 20 5 HHBDLO Cc1c(Br)cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000512804837 1004569498 /nfs/dbraw/zinc/56/94/98/1004569498.db2.gz WISXIRDUANPGTJ-UHFFFAOYSA-N 1 2 415.247 3.781 20 5 HHBDLO O=C([C@H]1C[C@@H]1C(F)F)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000510494515 1004613281 /nfs/dbraw/zinc/61/32/81/1004613281.db2.gz DTPFXAVHBNFXIM-HOTGVXAUSA-N 1 2 421.469 3.869 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000510843172 1004886797 /nfs/dbraw/zinc/88/67/97/1004886797.db2.gz MLRVIMZOHFZJDA-UHFFFAOYSA-N 1 2 421.404 3.903 20 5 HHBDLO COc1ccccc1O[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000513362007 1004926236 /nfs/dbraw/zinc/92/62/36/1004926236.db2.gz SQVHXRYAXZUTKJ-IRXDYDNUSA-N 1 2 413.474 3.782 20 5 HHBDLO COc1ccccc1O[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000513362007 1004926237 /nfs/dbraw/zinc/92/62/37/1004926237.db2.gz SQVHXRYAXZUTKJ-IRXDYDNUSA-N 1 2 413.474 3.782 20 5 HHBDLO COc1cc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000511234079 1005085154 /nfs/dbraw/zinc/08/51/54/1005085154.db2.gz UFUQIVKHKJEUSU-KRWDZBQOSA-N 1 2 421.856 3.963 20 5 HHBDLO CCOC(=O)CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](C)c1ccccc1 ZINC000513899148 1005178479 /nfs/dbraw/zinc/17/84/79/1005178479.db2.gz XITCYVCONMBTSR-MRXNPFEDSA-N 1 2 422.441 3.547 20 5 HHBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513993358 1005218259 /nfs/dbraw/zinc/21/82/59/1005218259.db2.gz AODLLLDZFIHMGF-MRXNPFEDSA-N 1 2 424.682 3.797 20 5 HHBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513998037 1005220734 /nfs/dbraw/zinc/22/07/34/1005220734.db2.gz YJBKKUQWACFANB-INIZCTEOSA-N 1 2 424.682 3.797 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000503643859 1005472127 /nfs/dbraw/zinc/47/21/27/1005472127.db2.gz OGTRYRDLLFMKSQ-UHFFFAOYSA-N 1 2 412.273 3.643 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000503643859 1005472129 /nfs/dbraw/zinc/47/21/29/1005472129.db2.gz OGTRYRDLLFMKSQ-UHFFFAOYSA-N 1 2 412.273 3.643 20 5 HHBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000534042346 1006011749 /nfs/dbraw/zinc/01/17/49/1006011749.db2.gz VGEPPFGBBXDCKD-IAGOWNOFSA-N 1 2 412.490 3.568 20 5 HHBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)cc1 ZINC000514957039 1006217396 /nfs/dbraw/zinc/21/73/96/1006217396.db2.gz CDJYMUGHHLUCJR-CQSZACIVSA-N 1 2 400.357 3.689 20 5 HHBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)cc1 ZINC000514957039 1006217407 /nfs/dbraw/zinc/21/74/07/1006217407.db2.gz CDJYMUGHHLUCJR-CQSZACIVSA-N 1 2 400.357 3.689 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 ZINC000538423426 1006689984 /nfs/dbraw/zinc/68/99/84/1006689984.db2.gz PHDPNPGKDPCFSQ-UHFFFAOYSA-N 1 2 412.490 3.764 20 5 HHBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000538497318 1006765350 /nfs/dbraw/zinc/76/53/50/1006765350.db2.gz NVEBECMMFRLQQJ-UHFFFAOYSA-N 1 2 414.487 3.655 20 5 HHBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCCc3cccc([N+](=O)[O-])c3)n2)C1 ZINC000534777654 1006776172 /nfs/dbraw/zinc/77/61/72/1006776172.db2.gz NGWYAILRJOPKIN-CQSZACIVSA-N 1 2 403.508 3.647 20 5 HHBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCc3cccc([N+](=O)[O-])c3)n2)C1 ZINC000534777654 1006776185 /nfs/dbraw/zinc/77/61/85/1006776185.db2.gz NGWYAILRJOPKIN-CQSZACIVSA-N 1 2 403.508 3.647 20 5 HHBDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538601617 1006873797 /nfs/dbraw/zinc/87/37/97/1006873797.db2.gz UKUYEAGHIKZNBI-LPHOPBHVSA-N 1 2 420.872 3.923 20 5 HHBDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538601617 1006873811 /nfs/dbraw/zinc/87/38/11/1006873811.db2.gz UKUYEAGHIKZNBI-LPHOPBHVSA-N 1 2 420.872 3.923 20 5 HHBDLO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000532753307 1007161101 /nfs/dbraw/zinc/16/11/01/1007161101.db2.gz AYCARGRDGVYLSK-AWEZNQCLSA-N 1 2 420.307 3.836 20 5 HHBDLO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000532753307 1007161108 /nfs/dbraw/zinc/16/11/08/1007161108.db2.gz AYCARGRDGVYLSK-AWEZNQCLSA-N 1 2 420.307 3.836 20 5 HHBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000532981042 1007352524 /nfs/dbraw/zinc/35/25/24/1007352524.db2.gz ZXEBXOSAIOLXPK-UHFFFAOYSA-N 1 2 401.438 3.951 20 5 HHBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533173758 1007517321 /nfs/dbraw/zinc/51/73/21/1007517321.db2.gz PIDHSAUZJZOFKQ-MJGOQNOKSA-N 1 2 420.872 3.974 20 5 HHBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533173758 1007517327 /nfs/dbraw/zinc/51/73/27/1007517327.db2.gz PIDHSAUZJZOFKQ-MJGOQNOKSA-N 1 2 420.872 3.974 20 5 HHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000533240053 1007560919 /nfs/dbraw/zinc/56/09/19/1007560919.db2.gz FXZPWNFOJDMABT-CYBMUJFWSA-N 1 2 405.401 3.743 20 5 HHBDLO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)ccc2NC1=O ZINC000539294132 1007591264 /nfs/dbraw/zinc/59/12/64/1007591264.db2.gz HPZDNWHQFZKYDD-SJKOYZFVSA-N 1 2 423.429 3.605 20 5 HHBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000533291111 1007604645 /nfs/dbraw/zinc/60/46/45/1007604645.db2.gz BHOYTKKYNMJHMC-UPJWGTAASA-N 1 2 406.533 3.871 20 5 HHBDLO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(SC)cc1OC ZINC000533293294 1007608702 /nfs/dbraw/zinc/60/87/02/1007608702.db2.gz FSDBFZKPMYURHL-CYBMUJFWSA-N 1 2 419.503 3.793 20 5 HHBDLO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(SC)cc1OC ZINC000533293294 1007608708 /nfs/dbraw/zinc/60/87/08/1007608708.db2.gz FSDBFZKPMYURHL-CYBMUJFWSA-N 1 2 419.503 3.793 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C)cc2)CC1 ZINC000533297393 1007612857 /nfs/dbraw/zinc/61/28/57/1007612857.db2.gz KQRGVPWBWFEOKA-INIZCTEOSA-N 1 2 413.474 3.782 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000533428122 1007737828 /nfs/dbraw/zinc/73/78/28/1007737828.db2.gz AETQVNLXHKTGLX-UHFFFAOYSA-N 1 2 405.495 3.603 20 5 HHBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCOC3(CCOCC3)C2)ccc1Oc1ccc(F)cc1 ZINC000535822616 1007837071 /nfs/dbraw/zinc/83/70/71/1007837071.db2.gz MQXLHMCBTWBEBE-UHFFFAOYSA-N 1 2 402.422 3.908 20 5 HHBDLO O=[N+]([O-])c1cc(C[N@H+]2CCOC3(CCOCC3)C2)ccc1Oc1ccc(F)cc1 ZINC000535822616 1007837081 /nfs/dbraw/zinc/83/70/81/1007837081.db2.gz MQXLHMCBTWBEBE-UHFFFAOYSA-N 1 2 402.422 3.908 20 5 HHBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000539602100 1007921871 /nfs/dbraw/zinc/92/18/71/1007921871.db2.gz ZBFGANYYBVPKAK-GOSISDBHSA-N 1 2 409.552 3.574 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533682484 1008005709 /nfs/dbraw/zinc/00/57/09/1008005709.db2.gz SWXIFNGRSRGVPD-QUCCMNQESA-N 1 2 405.857 3.882 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533682484 1008005717 /nfs/dbraw/zinc/00/57/17/1008005717.db2.gz SWXIFNGRSRGVPD-QUCCMNQESA-N 1 2 405.857 3.882 20 5 HHBDLO Cn1cc(CNc2ccccc2OCCn2cc[nH+]c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000536101316 1008125587 /nfs/dbraw/zinc/12/55/87/1008125587.db2.gz QIABONXLLIWBJZ-UHFFFAOYSA-N 1 2 418.457 3.883 20 5 HHBDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(N2CCCC2=O)c1 ZINC000540409793 1008421081 /nfs/dbraw/zinc/42/10/81/1008421081.db2.gz MRHVAEPJFIAMOO-CQSZACIVSA-N 1 2 407.430 3.622 20 5 HHBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000518833121 1008437960 /nfs/dbraw/zinc/43/79/60/1008437960.db2.gz ZFWMETYQZICCOW-LLVKDONJSA-N 1 2 404.785 3.979 20 5 HHBDLO CCOc1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1[N+](=O)[O-] ZINC000518877090 1008456259 /nfs/dbraw/zinc/45/62/59/1008456259.db2.gz WNGWFAYQMKQACE-UHFFFAOYSA-N 1 2 410.430 3.543 20 5 HHBDLO O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518967686 1008490190 /nfs/dbraw/zinc/49/01/90/1008490190.db2.gz WSWXGBTWKFKBHI-QGZVFWFLSA-N 1 2 420.872 3.851 20 5 HHBDLO O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518967686 1008490194 /nfs/dbraw/zinc/49/01/94/1008490194.db2.gz WSWXGBTWKFKBHI-QGZVFWFLSA-N 1 2 420.872 3.851 20 5 HHBDLO COc1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000542957782 1008529021 /nfs/dbraw/zinc/52/90/21/1008529021.db2.gz WZPOWHYORHTISH-GOSISDBHSA-N 1 2 409.446 3.980 20 5 HHBDLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(OC)c([N+](=O)[O-])c3)CC2)s1 ZINC000542961783 1008533649 /nfs/dbraw/zinc/53/36/49/1008533649.db2.gz NCMWOPOAQXCYQW-UHFFFAOYSA-N 1 2 404.492 3.577 20 5 HHBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000545932710 1009005557 /nfs/dbraw/zinc/00/55/57/1009005557.db2.gz LOJFSVDZIYHWDY-APPDUMDISA-N 1 2 414.384 3.731 20 5 HHBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000520387713 1009525411 /nfs/dbraw/zinc/52/54/11/1009525411.db2.gz FKJIVVWJOVGBEZ-CQSZACIVSA-N 1 2 414.849 3.577 20 5 HHBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000544142063 1009750139 /nfs/dbraw/zinc/75/01/39/1009750139.db2.gz ISDVWAQXYRTXTE-FUHWJXTLSA-N 1 2 408.907 3.778 20 5 HHBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000544142063 1009750150 /nfs/dbraw/zinc/75/01/50/1009750150.db2.gz ISDVWAQXYRTXTE-FUHWJXTLSA-N 1 2 408.907 3.778 20 5 HHBDLO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000544420506 1010038518 /nfs/dbraw/zinc/03/85/18/1010038518.db2.gz HGOMGEBVFFWUIU-JTQLQIEISA-N 1 2 424.383 3.871 20 5 HHBDLO Cc1nc(NCc2cccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)c2)cc[nH+]1 ZINC000544556659 1010186153 /nfs/dbraw/zinc/18/61/53/1010186153.db2.gz PHLXWMDFUJRFMH-UHFFFAOYSA-N 1 2 403.442 3.504 20 5 HHBDLO CSC[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000521324195 1010306049 /nfs/dbraw/zinc/30/60/49/1010306049.db2.gz HOEMPWBBTVFAJB-OAHLLOKOSA-N 1 2 419.572 3.967 20 5 HHBDLO CC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000551494797 1010621815 /nfs/dbraw/zinc/62/18/15/1010621815.db2.gz DQLHXCMFJSJZOV-UHFFFAOYSA-N 1 2 407.430 3.655 20 5 HHBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000523145205 1011618511 /nfs/dbraw/zinc/61/85/11/1011618511.db2.gz TVJLMMBIXKUPII-MRXNPFEDSA-N 1 2 415.515 3.855 20 5 HHBDLO Cn1ccnc1[C@@H]([NH2+]CCOc1cccc(C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1 ZINC000552061298 1012079736 /nfs/dbraw/zinc/07/97/36/1012079736.db2.gz FTYKPLAQGQQBRB-KRWDZBQOSA-N 1 2 421.379 3.500 20 5 HHBDLO Cn1cc(-c2ccccc2C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000552063925 1012082074 /nfs/dbraw/zinc/08/20/74/1012082074.db2.gz RTKOULBWDWUZBK-NRFANRHFSA-N 1 2 402.458 3.608 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536917116 1012192461 /nfs/dbraw/zinc/19/24/61/1012192461.db2.gz QPQVHIOHGZGYGE-MAUKXSAKSA-N 1 2 424.835 3.674 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536917116 1012192469 /nfs/dbraw/zinc/19/24/69/1012192469.db2.gz QPQVHIOHGZGYGE-MAUKXSAKSA-N 1 2 424.835 3.674 20 5 HHBDLO CC1CCN(c2ccc(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)cc2[N+](=O)[O-])CC1 ZINC000523726808 1012340705 /nfs/dbraw/zinc/34/07/05/1012340705.db2.gz POSMBEODYSINKW-UHFFFAOYSA-N 1 2 419.485 3.947 20 5 HHBDLO COc1cc(C[NH2+][C@@H](c2nnc3ccccn32)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000541614991 1012419783 /nfs/dbraw/zinc/41/97/83/1012419783.db2.gz XIICIMGSRMRIPO-QGZVFWFLSA-N 1 2 421.404 3.734 20 5 HHBDLO C[C@@H](C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000541622110 1012432176 /nfs/dbraw/zinc/43/21/76/1012432176.db2.gz MRGSKTSJKVCMPQ-CABCVRRESA-N 1 2 401.438 3.869 20 5 HHBDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541665249 1012494461 /nfs/dbraw/zinc/49/44/61/1012494461.db2.gz JGKKBSUEFFVXRF-UHFFFAOYSA-N 1 2 421.563 3.718 20 5 HHBDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541665249 1012494469 /nfs/dbraw/zinc/49/44/69/1012494469.db2.gz JGKKBSUEFFVXRF-UHFFFAOYSA-N 1 2 421.563 3.718 20 5 HHBDLO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC(n4cc[nH+]c4)CC3)cc2[N+](=O)[O-])C1 ZINC000523833786 1012521709 /nfs/dbraw/zinc/52/17/09/1012521709.db2.gz JWILUWXCSOQSFC-IAGOWNOFSA-N 1 2 411.506 3.751 20 5 HHBDLO COC[C@H]([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000537174919 1012582238 /nfs/dbraw/zinc/58/22/38/1012582238.db2.gz IYYOMJONJSBOKE-AWEZNQCLSA-N 1 2 400.353 3.821 20 5 HHBDLO Cc1ccc([C@H](C)[NH2+]Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1[N+](=O)[O-] ZINC000537176265 1012583160 /nfs/dbraw/zinc/58/31/60/1012583160.db2.gz YRNOIMMSNUAGBR-AWEZNQCLSA-N 1 2 415.471 3.813 20 5 HHBDLO Nc1nc(N2CC[NH+]([C@H](c3ccccc3)c3ccccc3Cl)CC2)ncc1[N+](=O)[O-] ZINC000524161400 1012954394 /nfs/dbraw/zinc/95/43/94/1012954394.db2.gz XAKZQAKZROUPMR-LJQANCHMSA-N 1 2 424.892 3.532 20 5 HHBDLO COc1cc(C[N@@H+]2CCC[C@](OC)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000614924116 1071987872 /nfs/dbraw/zinc/98/78/72/1071987872.db2.gz HUMZIGPUSFQFDU-OAHLLOKOSA-N 1 2 414.327 3.748 20 5 HHBDLO COc1cc(C[N@H+]2CCC[C@](OC)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000614924116 1071987880 /nfs/dbraw/zinc/98/78/80/1071987880.db2.gz HUMZIGPUSFQFDU-OAHLLOKOSA-N 1 2 414.327 3.748 20 5 HHBDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000614924937 1071988847 /nfs/dbraw/zinc/98/88/47/1071988847.db2.gz PNBCGBVHRAPXGQ-BZNIZROVSA-N 1 2 400.357 3.749 20 5 HHBDLO CO[C@@]1(C(F)(F)F)CCC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000614924937 1071988856 /nfs/dbraw/zinc/98/88/56/1071988856.db2.gz PNBCGBVHRAPXGQ-BZNIZROVSA-N 1 2 400.357 3.749 20 5 HHBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cn(-c2ccccc2Br)nn1 ZINC000570443092 1072240521 /nfs/dbraw/zinc/24/05/21/1072240521.db2.gz RZYJRMYHCQSPCT-UHFFFAOYSA-N 1 2 416.279 3.613 20 5 HHBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cn(-c2ccccc2Br)nn1 ZINC000570443092 1072240527 /nfs/dbraw/zinc/24/05/27/1072240527.db2.gz RZYJRMYHCQSPCT-UHFFFAOYSA-N 1 2 416.279 3.613 20 5 HHBDLO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1ccncc1OCc1ccccc1)OCCO2 ZINC000586780885 1072437212 /nfs/dbraw/zinc/43/72/12/1072437212.db2.gz JVSZETZONQXRAN-UHFFFAOYSA-N 1 2 407.426 3.630 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCn3cncc3C2)cc1 ZINC000572212142 1073228588 /nfs/dbraw/zinc/22/85/88/1073228588.db2.gz VKAHMWAQEUPTSI-UHFFFAOYSA-N 1 2 400.442 3.660 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCn3cncc3C2)cc1 ZINC000572212142 1073228594 /nfs/dbraw/zinc/22/85/94/1073228594.db2.gz VKAHMWAQEUPTSI-UHFFFAOYSA-N 1 2 400.442 3.660 20 5 HHBDLO CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)sc2c1 ZINC000591724091 1074490168 /nfs/dbraw/zinc/49/01/68/1074490168.db2.gz FDKBYGSXAVPSKS-UHFFFAOYSA-N 1 2 422.426 3.601 20 5 HHBDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000760937445 1074700832 /nfs/dbraw/zinc/70/08/32/1074700832.db2.gz RGDWRHPINCEUPV-ZDUSSCGKSA-N 1 2 411.886 3.631 20 5 HHBDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000760937445 1074700841 /nfs/dbraw/zinc/70/08/41/1074700841.db2.gz RGDWRHPINCEUPV-ZDUSSCGKSA-N 1 2 411.886 3.631 20 5 HHBDLO CCn1c(C[NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])nc2ccccc21 ZINC000761221274 1075653048 /nfs/dbraw/zinc/65/30/48/1075653048.db2.gz GZEAXOWAZFDOSP-UHFFFAOYSA-N 1 2 420.416 3.907 20 5 HHBDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000301427300 970922938 /nfs/dbraw/zinc/92/29/38/970922938.db2.gz FADFXMHQJLBXJM-GOSISDBHSA-N 1 2 418.444 3.506 20 5 HHBDLO O=[N+]([O-])c1cc(Br)cnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000301682191 971026349 /nfs/dbraw/zinc/02/63/49/971026349.db2.gz KBOHENUAELZULY-UHFFFAOYSA-N 1 2 411.687 3.728 20 5 HHBDLO CS(=O)(=O)c1cccc(NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000301860373 971089602 /nfs/dbraw/zinc/08/96/02/971089602.db2.gz DKVZQRRCRNYEEL-QGZVFWFLSA-N 1 2 423.922 3.901 20 5 HHBDLO Cc1ccc([C@@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000301931939 971121724 /nfs/dbraw/zinc/12/17/24/971121724.db2.gz MGGULQXAPIJIMO-MRXNPFEDSA-N 1 2 409.533 3.617 20 5 HHBDLO C[C@@H]1C[C@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000302188962 971202800 /nfs/dbraw/zinc/20/28/00/971202800.db2.gz QJURZEVALPJECT-GDBMZVCRSA-N 1 2 423.560 3.549 20 5 HHBDLO C[C@@H]1C[C@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000302188962 971202809 /nfs/dbraw/zinc/20/28/09/971202809.db2.gz QJURZEVALPJECT-GDBMZVCRSA-N 1 2 423.560 3.549 20 5 HHBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000302684996 971280027 /nfs/dbraw/zinc/28/00/27/971280027.db2.gz HUVIKDCJHKTABJ-UHFFFAOYSA-N 1 2 409.471 3.565 20 5 HHBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000302684996 971280035 /nfs/dbraw/zinc/28/00/35/971280035.db2.gz HUVIKDCJHKTABJ-UHFFFAOYSA-N 1 2 409.471 3.565 20 5 HHBDLO O=C(C[NH+]1CCC(OCc2ccccc2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000302909552 971386708 /nfs/dbraw/zinc/38/67/08/971386708.db2.gz IQLCWWVTUYHSSC-UHFFFAOYSA-N 1 2 403.866 3.868 20 5 HHBDLO CC[N@H+](Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@H](C)CS(C)(=O)=O ZINC000537637199 1013192223 /nfs/dbraw/zinc/19/22/23/1013192223.db2.gz PEIAUROJEABPOC-MRXNPFEDSA-N 1 2 405.520 3.618 20 5 HHBDLO CC[N@@H+](Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@H](C)CS(C)(=O)=O ZINC000537637199 1013192236 /nfs/dbraw/zinc/19/22/36/1013192236.db2.gz PEIAUROJEABPOC-MRXNPFEDSA-N 1 2 405.520 3.618 20 5 HHBDLO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000553232714 1013197574 /nfs/dbraw/zinc/19/75/74/1013197574.db2.gz ZUEAZXJWPNQMNW-INIZCTEOSA-N 1 2 410.430 3.679 20 5 HHBDLO COc1cc(C[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)ccc1OC(F)F ZINC000015296826 962710383 /nfs/dbraw/zinc/71/03/83/962710383.db2.gz KFPBBAGWXQNPLC-UHFFFAOYSA-N 1 2 410.373 3.703 20 5 HHBDLO COc1cc(C[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)ccc1OC(F)F ZINC000015296826 962710394 /nfs/dbraw/zinc/71/03/94/962710394.db2.gz KFPBBAGWXQNPLC-UHFFFAOYSA-N 1 2 410.373 3.703 20 5 HHBDLO CC[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nc(C(F)(F)F)cs1 ZINC000542564935 1013506827 /nfs/dbraw/zinc/50/68/27/1013506827.db2.gz DZHKZIDGMYKBLX-CHWSQXEVSA-N 1 2 414.409 3.916 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000052865536 965003859 /nfs/dbraw/zinc/00/38/59/965003859.db2.gz DAGQDJFQUFDCNB-IBGZPJMESA-N 1 2 413.474 3.613 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000052865536 965003869 /nfs/dbraw/zinc/00/38/69/965003869.db2.gz DAGQDJFQUFDCNB-IBGZPJMESA-N 1 2 413.474 3.613 20 5 HHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000054224718 965433711 /nfs/dbraw/zinc/43/37/11/965433711.db2.gz ZXJNMOPTJVRTMH-UHFFFAOYSA-N 1 2 409.421 3.775 20 5 HHBDLO CCC(CC)[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[NH+]1CCOCC1 ZINC000030941610 965839196 /nfs/dbraw/zinc/83/91/96/965839196.db2.gz ZLRHTALPOSJNKC-QGZVFWFLSA-N 1 2 405.520 3.676 20 5 HHBDLO O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055943328 966148731 /nfs/dbraw/zinc/14/87/31/966148731.db2.gz VFXHOWCRJAZGTC-WOJBJXKFSA-N 1 2 410.405 3.570 20 5 HHBDLO COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000032052767 966184556 /nfs/dbraw/zinc/18/45/56/966184556.db2.gz VGBRSFCTHIEDIG-GOSISDBHSA-N 1 2 422.441 3.775 20 5 HHBDLO Cc1c(NC(=O)CCN2CC[NH+](C/C=C/c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000041886153 966660363 /nfs/dbraw/zinc/66/03/63/966660363.db2.gz GXEYXSGKWQKIPV-RMKNXTFCSA-N 1 2 408.502 3.563 20 5 HHBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])n2)C1 ZINC000043546210 966995060 /nfs/dbraw/zinc/99/50/60/966995060.db2.gz BTUDRXGOFMIFJX-CQSZACIVSA-N 1 2 403.508 3.947 20 5 HHBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])n2)C1 ZINC000043546210 966995063 /nfs/dbraw/zinc/99/50/63/966995063.db2.gz BTUDRXGOFMIFJX-CQSZACIVSA-N 1 2 403.508 3.947 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000553919711 1013701006 /nfs/dbraw/zinc/70/10/06/1013701006.db2.gz QREANXSWWJRYPG-UTKZUKDTSA-N 1 2 419.428 3.512 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000553919711 1013701014 /nfs/dbraw/zinc/70/10/14/1013701014.db2.gz QREANXSWWJRYPG-UTKZUKDTSA-N 1 2 419.428 3.512 20 5 HHBDLO Cc1ccc(C)c(OC2CC[NH+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000064486657 967209956 /nfs/dbraw/zinc/20/99/56/967209956.db2.gz VNUNZTQQLSQYRK-UHFFFAOYSA-N 1 2 409.486 3.644 20 5 HHBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000064935715 967330334 /nfs/dbraw/zinc/33/03/34/967330334.db2.gz LHLQXDJOAZLONH-UHFFFAOYSA-N 1 2 423.429 3.973 20 5 HHBDLO O=C(CC(F)(F)F)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000046121367 967667244 /nfs/dbraw/zinc/66/72/44/967667244.db2.gz AWVFCCNEJGUJDY-UHFFFAOYSA-N 1 2 413.421 3.920 20 5 HHBDLO CC1CC[NH+](Cc2csc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)n2)CC1 ZINC000065876566 968695978 /nfs/dbraw/zinc/69/59/78/968695978.db2.gz MIVLPKQNZNDEDG-UHFFFAOYSA-N 1 2 413.503 3.877 20 5 HHBDLO O=C(NCCOc1cccc(C(F)(F)F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000107978775 969349727 /nfs/dbraw/zinc/34/97/27/969349727.db2.gz FITDFYXCHQBAMH-UHFFFAOYSA-N 1 2 420.347 3.608 20 5 HHBDLO O=C(C[NH+]1CCC(Nc2nc3ccc([N+](=O)[O-])cc3s2)CC1)Nc1ccccc1 ZINC000111106904 969778689 /nfs/dbraw/zinc/77/86/89/969778689.db2.gz AFUJFSMKHNGCRQ-UHFFFAOYSA-N 1 2 411.487 3.720 20 5 HHBDLO COc1cc(C[NH2+]Cc2cccnc2OC)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237126017 970227347 /nfs/dbraw/zinc/22/73/47/970227347.db2.gz DFVOSATUEZFTIG-UHFFFAOYSA-N 1 2 409.442 3.876 20 5 HHBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000554846447 1014072710 /nfs/dbraw/zinc/07/27/10/1014072710.db2.gz WZMDGEHYQYABPT-UHFFFAOYSA-N 1 2 410.499 3.656 20 5 HHBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000554846447 1014072714 /nfs/dbraw/zinc/07/27/14/1014072714.db2.gz WZMDGEHYQYABPT-UHFFFAOYSA-N 1 2 410.499 3.656 20 5 HHBDLO O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000410028607 973506637 /nfs/dbraw/zinc/50/66/37/973506637.db2.gz JTZWFRIDGPHDAP-UHFFFAOYSA-N 1 2 424.417 3.614 20 5 HHBDLO COc1cccc(C2(F)CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CC2)c1 ZINC000410223662 973718903 /nfs/dbraw/zinc/71/89/03/973718903.db2.gz FXTLICJKSRGXBD-UHFFFAOYSA-N 1 2 424.432 3.890 20 5 HHBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410289238 973818028 /nfs/dbraw/zinc/81/80/28/973818028.db2.gz PCJJXFSCRZHEAO-INIZCTEOSA-N 1 2 409.490 3.722 20 5 HHBDLO CC(C)(C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc([N+](=O)[O-])cc1F ZINC000410289417 973819330 /nfs/dbraw/zinc/81/93/30/973819330.db2.gz IWRXXPDQAQURQS-OAHLLOKOSA-N 1 2 414.481 3.951 20 5 HHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(O)(C(F)F)CC2)cc1OC ZINC000426261326 974354077 /nfs/dbraw/zinc/35/40/77/974354077.db2.gz PWQJLDIVEPOLMR-CYBMUJFWSA-N 1 2 402.438 3.620 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000426884086 974730261 /nfs/dbraw/zinc/73/02/61/974730261.db2.gz WQKUGXYMYOVUQL-ROUUACIJSA-N 1 2 410.474 3.925 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000430219290 977399967 /nfs/dbraw/zinc/39/99/67/977399967.db2.gz OODFILFTKYVKIG-NSHDSACASA-N 1 2 423.263 3.988 20 5 HHBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430506925 977606691 /nfs/dbraw/zinc/60/66/91/977606691.db2.gz XWBDCDGSROPONE-CQSZACIVSA-N 1 2 408.886 3.713 20 5 HHBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1C ZINC000431925621 978605095 /nfs/dbraw/zinc/60/50/95/978605095.db2.gz KUBZCMZDEYLFOU-UHFFFAOYSA-N 1 2 408.252 3.650 20 5 HHBDLO Cc1cc(OCC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000432198727 978710223 /nfs/dbraw/zinc/71/02/23/978710223.db2.gz PRPVEGMIBONDRQ-XLIONFOSSA-N 1 2 421.856 3.636 20 5 HHBDLO Cc1cc(OCC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000432198727 978710226 /nfs/dbraw/zinc/71/02/26/978710226.db2.gz PRPVEGMIBONDRQ-XLIONFOSSA-N 1 2 421.856 3.636 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(F)(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000434498287 980212731 /nfs/dbraw/zinc/21/27/31/980212731.db2.gz SIBUGJZEPKZSCC-HNNXBMFYSA-N 1 2 401.438 3.891 20 5 HHBDLO Cc1c(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435324346 980783183 /nfs/dbraw/zinc/78/31/83/980783183.db2.gz VSUPDUUAQZJGMV-UHFFFAOYSA-N 1 2 408.256 3.800 20 5 HHBDLO Cc1c(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435324346 980783186 /nfs/dbraw/zinc/78/31/86/980783186.db2.gz VSUPDUUAQZJGMV-UHFFFAOYSA-N 1 2 408.256 3.800 20 5 HHBDLO Cc1ccc([C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@H](C)S(C)(=O)=O)cc1 ZINC000435888465 981078481 /nfs/dbraw/zinc/07/84/81/981078481.db2.gz NHZDQRPPEMEFMQ-KKSFZXQISA-N 1 2 420.531 3.954 20 5 HHBDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000439775135 983533817 /nfs/dbraw/zinc/53/38/17/983533817.db2.gz MQASOKQUGLYNGA-OPAMFIHVSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000439775135 983533819 /nfs/dbraw/zinc/53/38/19/983533819.db2.gz MQASOKQUGLYNGA-OPAMFIHVSA-N 1 2 410.518 3.979 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000440550205 983792970 /nfs/dbraw/zinc/79/29/70/983792970.db2.gz ZSNYVRVYMVDLBY-HCROLABASA-N 1 2 417.506 3.600 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000440550205 983792972 /nfs/dbraw/zinc/79/29/72/983792972.db2.gz ZSNYVRVYMVDLBY-HCROLABASA-N 1 2 417.506 3.600 20 5 HHBDLO CCOC(=O)[C@H]1C[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)Cc2ccccc21 ZINC000441135372 984084390 /nfs/dbraw/zinc/08/43/90/984084390.db2.gz MRUXAVRJPXRSBQ-LIRRHRJNSA-N 1 2 422.441 3.868 20 5 HHBDLO CCOC(=O)[C@H]1C[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)Cc2ccccc21 ZINC000441135372 984084396 /nfs/dbraw/zinc/08/43/96/984084396.db2.gz MRUXAVRJPXRSBQ-LIRRHRJNSA-N 1 2 422.441 3.868 20 5 HHBDLO CCO[C@@H](C)c1nc(CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)cs1 ZINC000441373906 984216279 /nfs/dbraw/zinc/21/62/79/984216279.db2.gz CUNNYUMAMURGHF-INIZCTEOSA-N 1 2 404.536 3.775 20 5 HHBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CCNc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000441493710 984285624 /nfs/dbraw/zinc/28/56/24/984285624.db2.gz UDIFFUSUUDYXEE-FQEVSTJZSA-N 1 2 407.474 3.768 20 5 HHBDLO CCOc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000441494017 984285696 /nfs/dbraw/zinc/28/56/96/984285696.db2.gz UXDOTIVGOIBEGD-IBGZPJMESA-N 1 2 408.458 3.978 20 5 HHBDLO O=[N+]([O-])c1ccc(NCc2cccc(-n3cc[nH+]c3)c2)nc1OCc1ccccc1 ZINC000462506368 985458008 /nfs/dbraw/zinc/45/80/08/985458008.db2.gz DLLWZEFPLRXLRA-UHFFFAOYSA-N 1 2 401.426 4.367 20 5 HHBDLO CNc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000462781607 985716475 /nfs/dbraw/zinc/71/64/75/985716475.db2.gz YXKTUPLGDDGTGW-CRAIPNDOSA-N 1 2 406.845 3.604 20 5 HHBDLO CNc1c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000462781607 985716481 /nfs/dbraw/zinc/71/64/81/985716481.db2.gz YXKTUPLGDDGTGW-CRAIPNDOSA-N 1 2 406.845 3.604 20 5 HHBDLO CS(=O)(=O)C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000463061617 986019032 /nfs/dbraw/zinc/01/90/32/986019032.db2.gz JQQWEURQRUSIEE-LJQANCHMSA-N 1 2 400.456 3.730 20 5 HHBDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000463436533 986412465 /nfs/dbraw/zinc/41/24/65/986412465.db2.gz AXVAPPFESQBJDC-WIYYLYMNSA-N 1 2 405.458 3.727 20 5 HHBDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000463436533 986412466 /nfs/dbraw/zinc/41/24/66/986412466.db2.gz AXVAPPFESQBJDC-WIYYLYMNSA-N 1 2 405.458 3.727 20 5 HHBDLO Cn1cc(Nc2cccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)c2)cn1 ZINC000469055784 986767496 /nfs/dbraw/zinc/76/74/96/986767496.db2.gz RLIOBZKYNIRKAR-UHFFFAOYSA-N 1 2 403.402 3.510 20 5 HHBDLO C[N@@H+]1CCc2nc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)sc2C1 ZINC000444593482 986780324 /nfs/dbraw/zinc/78/03/24/986780324.db2.gz KJOAJPRGCDNQNT-UHFFFAOYSA-N 1 2 408.458 3.517 20 5 HHBDLO C[N@H+]1CCc2nc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)sc2C1 ZINC000444593482 986780335 /nfs/dbraw/zinc/78/03/35/986780335.db2.gz KJOAJPRGCDNQNT-UHFFFAOYSA-N 1 2 408.458 3.517 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000444760303 986922454 /nfs/dbraw/zinc/92/24/54/986922454.db2.gz IXYCMCJLUYUINA-UHFFFAOYSA-N 1 2 424.457 3.871 20 5 HHBDLO CCOc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2ncccc12 ZINC000464325881 988460350 /nfs/dbraw/zinc/46/03/50/988460350.db2.gz ICAOTKJIGXESMJ-UHFFFAOYSA-N 1 2 403.398 3.980 20 5 HHBDLO COc1cc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c([N+](=O)[O-])cc1F ZINC000464489274 988659874 /nfs/dbraw/zinc/65/98/74/988659874.db2.gz UXYIBELEUOHNAY-GFCCVEGCSA-N 1 2 402.348 3.795 20 5 HHBDLO COc1cc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c([N+](=O)[O-])cc1F ZINC000464489274 988659877 /nfs/dbraw/zinc/65/98/77/988659877.db2.gz UXYIBELEUOHNAY-GFCCVEGCSA-N 1 2 402.348 3.795 20 5 HHBDLO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c([N+](=O)[O-])cc1F ZINC000464489261 988660063 /nfs/dbraw/zinc/66/00/63/988660063.db2.gz FLZJHAWYPXGKFP-CYBMUJFWSA-N 1 2 415.343 3.810 20 5 HHBDLO COc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c([N+](=O)[O-])cc1F ZINC000464489261 988660071 /nfs/dbraw/zinc/66/00/71/988660071.db2.gz FLZJHAWYPXGKFP-CYBMUJFWSA-N 1 2 415.343 3.810 20 5 HHBDLO CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464771500 988994816 /nfs/dbraw/zinc/99/48/16/988994816.db2.gz FLPJZAODLNNIHT-MRXNPFEDSA-N 1 2 413.474 3.864 20 5 HHBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000464975401 989276165 /nfs/dbraw/zinc/27/61/65/989276165.db2.gz XYVHJAFAQOXMSC-UHFFFAOYSA-N 1 2 421.501 3.710 20 5 HHBDLO COc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000471945171 990109487 /nfs/dbraw/zinc/10/94/87/990109487.db2.gz VIBZZWISYODFMC-MAUKXSAKSA-N 1 2 422.844 3.963 20 5 HHBDLO COc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000471945171 990109493 /nfs/dbraw/zinc/10/94/93/990109493.db2.gz VIBZZWISYODFMC-MAUKXSAKSA-N 1 2 422.844 3.963 20 5 HHBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000467345956 992666085 /nfs/dbraw/zinc/66/60/85/992666085.db2.gz NAOWVAXKTKLWTM-UHFFFAOYSA-N 1 2 415.837 3.845 20 5 HHBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCC(c3ccc(Cl)cc3)CC2)cc1 ZINC000481832714 994682695 /nfs/dbraw/zinc/68/26/95/994682695.db2.gz PGBOXEACZOIAGF-UHFFFAOYSA-N 1 2 408.907 3.902 20 5 HHBDLO COc1ccc(-c2ccc(C[N@@H+]3CCSC[C@H]3c3cnn(C)c3)o2)c([N+](=O)[O-])c1 ZINC000483419237 996165913 /nfs/dbraw/zinc/16/59/13/996165913.db2.gz HTTGCORRUWQIRI-IBGZPJMESA-N 1 2 414.487 3.887 20 5 HHBDLO COc1ccc(-c2ccc(C[N@H+]3CCSC[C@H]3c3cnn(C)c3)o2)c([N+](=O)[O-])c1 ZINC000483419237 996165918 /nfs/dbraw/zinc/16/59/18/996165918.db2.gz HTTGCORRUWQIRI-IBGZPJMESA-N 1 2 414.487 3.887 20 5 HHBDLO CCOc1cc(N2CC[NH+](Cc3nn(CC)c4ccccc34)CC2)ccc1[N+](=O)[O-] ZINC000475511167 996191824 /nfs/dbraw/zinc/19/18/24/996191824.db2.gz KERZCDCCXMLEBJ-UHFFFAOYSA-N 1 2 409.490 3.685 20 5 HHBDLO CCOC(=O)C1(COC)CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000475625733 996258277 /nfs/dbraw/zinc/25/82/77/996258277.db2.gz UWBHGJGVDZHHPO-UHFFFAOYSA-N 1 2 419.503 3.510 20 5 HHBDLO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3cscn3)CC2)nc1-c1ccc(F)cc1 ZINC000485393004 997821081 /nfs/dbraw/zinc/82/10/81/997821081.db2.gz JUCSAQLKSIICFR-UHFFFAOYSA-N 1 2 413.478 3.965 20 5 HHBDLO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3cscn3)CC2)nc1-c1ccc(F)cc1 ZINC000485393004 997821084 /nfs/dbraw/zinc/82/10/84/997821084.db2.gz JUCSAQLKSIICFR-UHFFFAOYSA-N 1 2 413.478 3.965 20 5 HHBDLO CSc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000485516781 997973488 /nfs/dbraw/zinc/97/34/88/997973488.db2.gz KDTQZWXQSXVPLT-WBVHZDCISA-N 1 2 407.442 3.770 20 5 HHBDLO CSc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000485516781 997973494 /nfs/dbraw/zinc/97/34/94/997973494.db2.gz KDTQZWXQSXVPLT-WBVHZDCISA-N 1 2 407.442 3.770 20 5 HHBDLO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000485786250 998257777 /nfs/dbraw/zinc/25/77/77/998257777.db2.gz BLNRSOOTSVYKHG-UHFFFAOYSA-N 1 2 411.380 3.871 20 5 HHBDLO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000485786250 998257787 /nfs/dbraw/zinc/25/77/87/998257787.db2.gz BLNRSOOTSVYKHG-UHFFFAOYSA-N 1 2 411.380 3.871 20 5 HHBDLO O=[N+]([O-])c1ccn(C2CCN(c3cc[nH+]c4c(Br)cccc34)CC2)n1 ZINC000486015985 998461103 /nfs/dbraw/zinc/46/11/03/998461103.db2.gz KZGCHPASFKEQKV-UHFFFAOYSA-N 1 2 402.252 3.944 20 5 HHBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)CSc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000486020266 998466089 /nfs/dbraw/zinc/46/60/89/998466089.db2.gz UBXLAVRCRNPYMA-HOTGVXAUSA-N 1 2 415.515 3.935 20 5 HHBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CSc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000486020272 998466191 /nfs/dbraw/zinc/46/61/91/998466191.db2.gz UBXLAVRCRNPYMA-IYBDPMFKSA-N 1 2 415.515 3.935 20 5 HHBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CSc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000486020272 998466197 /nfs/dbraw/zinc/46/61/97/998466197.db2.gz UBXLAVRCRNPYMA-IYBDPMFKSA-N 1 2 415.515 3.935 20 5 HHBDLO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000486270687 998688001 /nfs/dbraw/zinc/68/80/01/998688001.db2.gz QKPQTJWHYNHIIM-UHFFFAOYSA-N 1 2 417.828 3.615 20 5 HHBDLO NC(=O)[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccc(Br)c1 ZINC000479483188 999437592 /nfs/dbraw/zinc/43/75/92/999437592.db2.gz LXSDVSBAUXQACO-IRXDYDNUSA-N 1 2 404.264 3.551 20 5 HHBDLO CCOc1ccc([C@H](C)[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000479500773 999446414 /nfs/dbraw/zinc/44/64/14/999446414.db2.gz JEDVYHQZWDJEAB-APPDUMDISA-N 1 2 422.279 3.633 20 5 HHBDLO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1([NH+]2CCOCC2)CCCC1 ZINC000479811177 999606547 /nfs/dbraw/zinc/60/65/47/999606547.db2.gz ZJALIDHRBBJNNX-CQSZACIVSA-N 1 2 403.504 3.573 20 5 HHBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000479864931 999629725 /nfs/dbraw/zinc/62/97/25/999629725.db2.gz WXNFBAGGCPUAEW-UHFFFAOYSA-N 1 2 412.356 3.560 20 5 HHBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3nnc(-c4cc5c(s4)CCCC5)o3)CC2)n1 ZINC000488978886 999663066 /nfs/dbraw/zinc/66/30/66/999663066.db2.gz KEEKVNIAEXYIFQ-UHFFFAOYSA-N 1 2 414.491 3.619 20 5 HHBDLO Cc1c(CNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000480074288 999709822 /nfs/dbraw/zinc/70/98/22/999709822.db2.gz YPIWXLLWJQHAFB-HOTGVXAUSA-N 1 2 412.490 3.834 20 5 HHBDLO CC[C@@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000489889845 999856226 /nfs/dbraw/zinc/85/62/26/999856226.db2.gz PMIIXMWQCJQAON-HXUWFJFHSA-N 1 2 407.474 3.833 20 5 HHBDLO Cc1cc(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n(-c2ccccc2F)n1 ZINC000490040574 999883187 /nfs/dbraw/zinc/88/31/87/999883187.db2.gz DYIRXGMCORVOSX-UHFFFAOYSA-N 1 2 423.448 3.831 20 5 HHBDLO Cc1cc(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n(-c2ccccc2F)n1 ZINC000490040574 999883189 /nfs/dbraw/zinc/88/31/89/999883189.db2.gz DYIRXGMCORVOSX-UHFFFAOYSA-N 1 2 423.448 3.831 20 5 HHBDLO COc1ccc([C@H](NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C2CC2)cc1 ZINC000490049040 999885095 /nfs/dbraw/zinc/88/50/95/999885095.db2.gz VHDKKKXORIHHRL-HSZRJFAPSA-N 1 2 409.486 3.835 20 5 HHBDLO COc1ccc([C@H](NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C2CC2)cc1 ZINC000490049040 999885098 /nfs/dbraw/zinc/88/50/98/999885098.db2.gz VHDKKKXORIHHRL-HSZRJFAPSA-N 1 2 409.486 3.835 20 5 HHBDLO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490048787 999885118 /nfs/dbraw/zinc/88/51/18/999885118.db2.gz MNOJYIHFFWPPJB-UHFFFAOYSA-N 1 2 419.428 3.819 20 5 HHBDLO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490048787 999885120 /nfs/dbraw/zinc/88/51/20/999885120.db2.gz MNOJYIHFFWPPJB-UHFFFAOYSA-N 1 2 419.428 3.819 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)c([N+](=O)[O-])c1 ZINC000490050470 999885332 /nfs/dbraw/zinc/88/53/32/999885332.db2.gz ZOVFRWPRJZBSSS-RKDXNWHRSA-N 1 2 418.397 3.757 20 5 HHBDLO CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)CC2)cs1 ZINC000490569935 999978787 /nfs/dbraw/zinc/97/87/87/999978787.db2.gz RBFWEVORYFZXPV-AWEZNQCLSA-N 1 2 408.499 3.606 20 5 HHBDLO CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)CC2)cs1 ZINC000490569935 999978789 /nfs/dbraw/zinc/97/87/89/999978789.db2.gz RBFWEVORYFZXPV-AWEZNQCLSA-N 1 2 408.499 3.606 20 5 HHBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCc3cc[nH]c(=O)c3C2)c([N+](=O)[O-])c1 ZINC000494147290 1000329466 /nfs/dbraw/zinc/32/94/66/1000329466.db2.gz ZYHSLMRPXMXGRF-NRFANRHFSA-N 1 2 418.453 3.742 20 5 HHBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCc3cc[nH]c(=O)c3C2)c([N+](=O)[O-])c1 ZINC000494147290 1000329470 /nfs/dbraw/zinc/32/94/70/1000329470.db2.gz ZYHSLMRPXMXGRF-NRFANRHFSA-N 1 2 418.453 3.742 20 5 HHBDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCc3cc[nH]c(=O)c3C2)c([N+](=O)[O-])c1 ZINC000494147291 1000329680 /nfs/dbraw/zinc/32/96/80/1000329680.db2.gz ZYHSLMRPXMXGRF-OAQYLSRUSA-N 1 2 418.453 3.742 20 5 HHBDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCc3cc[nH]c(=O)c3C2)c([N+](=O)[O-])c1 ZINC000494147291 1000329686 /nfs/dbraw/zinc/32/96/86/1000329686.db2.gz ZYHSLMRPXMXGRF-OAQYLSRUSA-N 1 2 418.453 3.742 20 5 HHBDLO Cn1c(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)ccc1[N+](=O)[O-] ZINC000504777669 1000365660 /nfs/dbraw/zinc/36/56/60/1000365660.db2.gz XXXJOKJCEGHGFP-UHFFFAOYSA-N 1 2 415.453 3.775 20 5 HHBDLO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(Br)c(F)c1 ZINC000494273897 1000404203 /nfs/dbraw/zinc/40/42/03/1000404203.db2.gz LRDZJYODTXBEAL-UHFFFAOYSA-N 1 2 422.254 3.518 20 5 HHBDLO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(Br)c(F)c1 ZINC000494273897 1000404208 /nfs/dbraw/zinc/40/42/08/1000404208.db2.gz LRDZJYODTXBEAL-UHFFFAOYSA-N 1 2 422.254 3.518 20 5 HHBDLO CC[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccccc1OCC(=O)N(C)C ZINC000494815992 1000674455 /nfs/dbraw/zinc/67/44/55/1000674455.db2.gz NAFHQMXCUXMGEJ-KRWDZBQOSA-N 1 2 405.882 3.956 20 5 HHBDLO COc1ccccc1[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000505506171 1000843872 /nfs/dbraw/zinc/84/38/72/1000843872.db2.gz LUOFJMBLOJTXEQ-OAHLLOKOSA-N 1 2 421.906 3.522 20 5 HHBDLO COc1ccccc1[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000505506170 1000844172 /nfs/dbraw/zinc/84/41/72/1000844172.db2.gz LUOFJMBLOJTXEQ-HNNXBMFYSA-N 1 2 421.906 3.522 20 5 HHBDLO C[C@H](O)[C@@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000506036262 1001179952 /nfs/dbraw/zinc/17/99/52/1001179952.db2.gz MOZMSVZWYUHSKN-ZBQZNYHESA-N 1 2 403.866 3.631 20 5 HHBDLO C[C@H](O)[C@@H]1CC[N@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000506036262 1001179955 /nfs/dbraw/zinc/17/99/55/1001179955.db2.gz MOZMSVZWYUHSKN-ZBQZNYHESA-N 1 2 403.866 3.631 20 5 HHBDLO O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000506249582 1001306583 /nfs/dbraw/zinc/30/65/83/1001306583.db2.gz NEKTZRDEYQBVEW-GOSISDBHSA-N 1 2 420.473 3.900 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000497485501 1001393194 /nfs/dbraw/zinc/39/31/94/1001393194.db2.gz IWOLEKILRJOLIK-HKUYNNGSSA-N 1 2 400.385 3.530 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000497485501 1001393199 /nfs/dbraw/zinc/39/31/99/1001393199.db2.gz IWOLEKILRJOLIK-HKUYNNGSSA-N 1 2 400.385 3.530 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000507262225 1001946517 /nfs/dbraw/zinc/94/65/17/1001946517.db2.gz MFCCNTRWIZVKEX-CQSZACIVSA-N 1 2 416.453 3.646 20 5 HHBDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000498876773 1002263084 /nfs/dbraw/zinc/26/30/84/1002263084.db2.gz XHCSLAYDWAGVBG-ZWKOTPCHSA-N 1 2 424.284 3.703 20 5 HHBDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000498876773 1002263094 /nfs/dbraw/zinc/26/30/94/1002263094.db2.gz XHCSLAYDWAGVBG-ZWKOTPCHSA-N 1 2 424.284 3.703 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000499153263 1002536327 /nfs/dbraw/zinc/53/63/27/1002536327.db2.gz FNHHFGGITLXSNB-RBUKOAKNSA-N 1 2 418.881 3.750 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000499153263 1002536335 /nfs/dbraw/zinc/53/63/35/1002536335.db2.gz FNHHFGGITLXSNB-RBUKOAKNSA-N 1 2 418.881 3.750 20 5 HHBDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000508354503 1002854915 /nfs/dbraw/zinc/85/49/15/1002854915.db2.gz KOKRGKXJFMPAFR-UHFFFAOYSA-N 1 2 417.418 3.533 20 5 HHBDLO C[C@@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000499953229 1003274026 /nfs/dbraw/zinc/27/40/26/1003274026.db2.gz KQQTVRZPWWJBJB-RFAUZJTJSA-N 1 2 416.236 3.691 20 5 HHBDLO CS(=O)(=O)c1ccc(F)c(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000500376515 1003673788 /nfs/dbraw/zinc/67/37/88/1003673788.db2.gz ZEPPMDDEHXHRQP-UHFFFAOYSA-N 1 2 404.419 3.687 20 5 HHBDLO Cc1noc(C)c1C[NH+]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000509380825 1003809922 /nfs/dbraw/zinc/80/99/22/1003809922.db2.gz VTPONMVUAGFPAH-UHFFFAOYSA-N 1 2 413.503 3.641 20 5 HHBDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)n1C ZINC000500736086 1003928437 /nfs/dbraw/zinc/92/84/37/1003928437.db2.gz DHOINKMWLIGCEP-UHFFFAOYSA-N 1 2 424.526 3.928 20 5 HHBDLO O=[N+]([O-])c1cc(Cl)ccc1-c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000500805076 1003968079 /nfs/dbraw/zinc/96/80/79/1003968079.db2.gz HUJLMNFPKAYGOY-KRWDZBQOSA-N 1 2 400.822 3.872 20 5 HHBDLO O=[N+]([O-])c1cc(Cl)ccc1-c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000500805076 1003968087 /nfs/dbraw/zinc/96/80/87/1003968087.db2.gz HUJLMNFPKAYGOY-KRWDZBQOSA-N 1 2 400.822 3.872 20 5 HHBDLO Cc1ccc([C@H](C)[NH2+]Cc2ncc(I)s2)cc1[N+](=O)[O-] ZINC000512046615 1003978446 /nfs/dbraw/zinc/97/84/46/1003978446.db2.gz VJUDULAYWYZCFN-VIFPVBQESA-N 1 2 403.245 3.815 20 5 HHBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)C1 ZINC000500863149 1004010896 /nfs/dbraw/zinc/01/08/96/1004010896.db2.gz GCOFQXRISSDADM-HNNXBMFYSA-N 1 2 401.448 3.550 20 5 HHBDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)C1 ZINC000500863149 1004010901 /nfs/dbraw/zinc/01/09/01/1004010901.db2.gz GCOFQXRISSDADM-HNNXBMFYSA-N 1 2 401.448 3.550 20 5 HHBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000510256569 1004429908 /nfs/dbraw/zinc/42/99/08/1004429908.db2.gz KMZXHEPBHSHLMY-UHFFFAOYSA-N 1 2 403.508 3.744 20 5 HHBDLO CCNc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000501478833 1004451975 /nfs/dbraw/zinc/45/19/75/1004451975.db2.gz LVHWMBMKDNKQJL-HOTGVXAUSA-N 1 2 412.490 3.888 20 5 HHBDLO C[C@]1(O)CCC[N@@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000501776739 1004716046 /nfs/dbraw/zinc/71/60/46/1004716046.db2.gz RNUIVLSGXKQTKJ-ICSRJNTNSA-N 1 2 403.866 3.775 20 5 HHBDLO C[C@]1(O)CCC[N@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000501776739 1004716054 /nfs/dbraw/zinc/71/60/54/1004716054.db2.gz RNUIVLSGXKQTKJ-ICSRJNTNSA-N 1 2 403.866 3.775 20 5 HHBDLO COc1cc(C[NH2+]Cc2cc(F)c(F)cc2Br)c([N+](=O)[O-])cc1O ZINC000513006963 1004755853 /nfs/dbraw/zinc/75/58/53/1004755853.db2.gz HCFFNQDKBCZDNU-UHFFFAOYSA-N 1 2 403.179 3.640 20 5 HHBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000501934891 1004817324 /nfs/dbraw/zinc/81/73/24/1004817324.db2.gz ZATLIWQZARCKLM-UHFFFAOYSA-N 1 2 400.460 3.723 20 5 HHBDLO COc1cc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)ccc1[N+](=O)[O-] ZINC000510956862 1004953320 /nfs/dbraw/zinc/95/33/20/1004953320.db2.gz BNHKSWZLFSRIMG-UHFFFAOYSA-N 1 2 424.482 3.871 20 5 HHBDLO COc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)ccc1[N+](=O)[O-] ZINC000510956862 1004953325 /nfs/dbraw/zinc/95/33/25/1004953325.db2.gz BNHKSWZLFSRIMG-UHFFFAOYSA-N 1 2 424.482 3.871 20 5 HHBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000511072341 1005006530 /nfs/dbraw/zinc/00/65/30/1005006530.db2.gz FIPZYXZRRPJSIY-LJQANCHMSA-N 1 2 422.441 3.633 20 5 HHBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000511072341 1005006534 /nfs/dbraw/zinc/00/65/34/1005006534.db2.gz FIPZYXZRRPJSIY-LJQANCHMSA-N 1 2 422.441 3.633 20 5 HHBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000511209384 1005074875 /nfs/dbraw/zinc/07/48/75/1005074875.db2.gz VEDFWCRLZQHIRC-INIZCTEOSA-N 1 2 404.426 3.791 20 5 HHBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000511209387 1005074963 /nfs/dbraw/zinc/07/49/63/1005074963.db2.gz VEDFWCRLZQHIRC-MRXNPFEDSA-N 1 2 404.426 3.791 20 5 HHBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513997844 1005220604 /nfs/dbraw/zinc/22/06/04/1005220604.db2.gz WMWQSNQFOQWZMX-MLGOLLRUSA-N 1 2 424.284 3.842 20 5 HHBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513997541 1005220648 /nfs/dbraw/zinc/22/06/48/1005220648.db2.gz SWLJTGDYWKJPPH-INIZCTEOSA-N 1 2 424.284 3.844 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000514179836 1005300409 /nfs/dbraw/zinc/30/04/09/1005300409.db2.gz MARCNMGAODZNLS-MRXNPFEDSA-N 1 2 408.380 3.975 20 5 HHBDLO O=C(Nc1ccccc1)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000511778304 1005322374 /nfs/dbraw/zinc/32/23/74/1005322374.db2.gz QWOKUAQQUAAVOJ-UHFFFAOYSA-N 1 2 420.416 3.982 20 5 HHBDLO CC1CCN(c2ccc(C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000514517285 1006017337 /nfs/dbraw/zinc/01/73/37/1006017337.db2.gz HFRSTFISFRBEFE-QHCPKHFHSA-N 1 2 422.529 3.960 20 5 HHBDLO CC1CCN(c2ccc(C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000514517285 1006017347 /nfs/dbraw/zinc/01/73/47/1006017347.db2.gz HFRSTFISFRBEFE-QHCPKHFHSA-N 1 2 422.529 3.960 20 5 HHBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000534178646 1006165831 /nfs/dbraw/zinc/16/58/31/1006165831.db2.gz YRBAYBDYIMFVDJ-SFHVURJKSA-N 1 2 413.865 3.637 20 5 HHBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000534178646 1006165838 /nfs/dbraw/zinc/16/58/38/1006165838.db2.gz YRBAYBDYIMFVDJ-SFHVURJKSA-N 1 2 413.865 3.637 20 5 HHBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)cc1 ZINC000514957036 1006217727 /nfs/dbraw/zinc/21/77/27/1006217727.db2.gz CDJYMUGHHLUCJR-AWEZNQCLSA-N 1 2 400.357 3.689 20 5 HHBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)cc1 ZINC000514957036 1006217733 /nfs/dbraw/zinc/21/77/33/1006217733.db2.gz CDJYMUGHHLUCJR-AWEZNQCLSA-N 1 2 400.357 3.689 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534800320 1006804322 /nfs/dbraw/zinc/80/43/22/1006804322.db2.gz XLUQGUMKTKBDCD-UHFFFAOYSA-N 1 2 403.442 3.869 20 5 HHBDLO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000532392165 1006840576 /nfs/dbraw/zinc/84/05/76/1006840576.db2.gz HVNDODWKVRQGHI-UHFFFAOYSA-N 1 2 409.273 3.691 20 5 HHBDLO Cc1c(NC(=O)CCN2CC[NH+](C/C=C\c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000532558421 1006991769 /nfs/dbraw/zinc/99/17/69/1006991769.db2.gz GXEYXSGKWQKIPV-TWGQIWQCSA-N 1 2 408.502 3.563 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000532572653 1007003917 /nfs/dbraw/zinc/00/39/17/1007003917.db2.gz QOJJLFDIRPJTAG-MRXNPFEDSA-N 1 2 419.522 3.992 20 5 HHBDLO COc1ccc(-c2ccc(CNc3ccc(N4CCOCC4)c[nH+]3)o2)c([N+](=O)[O-])c1 ZINC000532681382 1007092878 /nfs/dbraw/zinc/09/28/78/1007092878.db2.gz MEYFOAUSIXDTRS-UHFFFAOYSA-N 1 2 410.430 3.707 20 5 HHBDLO COc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000516542774 1007146168 /nfs/dbraw/zinc/14/61/68/1007146168.db2.gz CNWBORHWLBYBFY-UHFFFAOYSA-N 1 2 422.319 3.782 20 5 HHBDLO COC(=O)c1cc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc([N+](=O)[O-])c1 ZINC000535291645 1007342279 /nfs/dbraw/zinc/34/22/79/1007342279.db2.gz BVNNZLJJBJPJLU-UHFFFAOYSA-N 1 2 418.409 3.549 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])c1 ZINC000533063475 1007425819 /nfs/dbraw/zinc/42/58/19/1007425819.db2.gz HGBFGAUZHHUKCJ-MRXNPFEDSA-N 1 2 404.492 3.706 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])c1 ZINC000533063475 1007425824 /nfs/dbraw/zinc/42/58/24/1007425824.db2.gz HGBFGAUZHHUKCJ-MRXNPFEDSA-N 1 2 404.492 3.706 20 5 HHBDLO COc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)cc1[N+](=O)[O-] ZINC000533068238 1007431135 /nfs/dbraw/zinc/43/11/35/1007431135.db2.gz JDZSLHQHNCPKGY-KRWDZBQOSA-N 1 2 409.442 3.744 20 5 HHBDLO COc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)cc1[N+](=O)[O-] ZINC000533068238 1007431138 /nfs/dbraw/zinc/43/11/38/1007431138.db2.gz JDZSLHQHNCPKGY-KRWDZBQOSA-N 1 2 409.442 3.744 20 5 HHBDLO COc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000533682294 1008002869 /nfs/dbraw/zinc/00/28/69/1008002869.db2.gz OBZQAGSVHKJJBV-MAUKXSAKSA-N 1 2 407.829 3.571 20 5 HHBDLO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000533682294 1008002924 /nfs/dbraw/zinc/00/29/24/1008002924.db2.gz OBZQAGSVHKJJBV-MAUKXSAKSA-N 1 2 407.829 3.571 20 5 HHBDLO O=[N+]([O-])c1cc(F)ccc1/C=C\c1nc(-c2ccccc2C[NH+]2CCOCC2)no1 ZINC000545591668 1008691224 /nfs/dbraw/zinc/69/12/24/1008691224.db2.gz QFJSQKWICNYBAX-VURMDHGXSA-N 1 2 410.405 3.787 20 5 HHBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC1CCN(c2cccc[nH+]2)CC1 ZINC000543150769 1008724817 /nfs/dbraw/zinc/72/48/17/1008724817.db2.gz CMZYOTYBBORNBC-UHFFFAOYSA-N 1 2 406.895 3.521 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000549293106 1008867232 /nfs/dbraw/zinc/86/72/32/1008867232.db2.gz FCMGRVRINXMXGN-FQEVSTJZSA-N 1 2 408.458 3.978 20 5 HHBDLO Cc1cc(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)cc([N+](=O)[O-])c1 ZINC000546060065 1009083750 /nfs/dbraw/zinc/08/37/50/1009083750.db2.gz OMTOAITTZKFZGK-UHFFFAOYSA-N 1 2 417.263 3.594 20 5 HHBDLO C[C@@H](C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000543521218 1009112767 /nfs/dbraw/zinc/11/27/67/1009112767.db2.gz JOLTVTIJTBNSHY-HUUCEWRRSA-N 1 2 403.429 3.882 20 5 HHBDLO C[C@@H](NC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000520379895 1009516946 /nfs/dbraw/zinc/51/69/46/1009516946.db2.gz SXESIMJYTMVZLY-ZBFHGGJFSA-N 1 2 418.444 3.898 20 5 HHBDLO C[C@@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000520379895 1009516956 /nfs/dbraw/zinc/51/69/56/1009516956.db2.gz SXESIMJYTMVZLY-ZBFHGGJFSA-N 1 2 418.444 3.898 20 5 HHBDLO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000549919452 1009536841 /nfs/dbraw/zinc/53/68/41/1009536841.db2.gz JHJHAJFYMWVJSG-OSEOCOMQSA-N 1 2 403.523 3.984 20 5 HHBDLO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000549919452 1009536853 /nfs/dbraw/zinc/53/68/53/1009536853.db2.gz JHJHAJFYMWVJSG-OSEOCOMQSA-N 1 2 403.523 3.984 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000550011091 1009610250 /nfs/dbraw/zinc/61/02/50/1009610250.db2.gz NZSILFMVRLQDNB-CXAGYDPISA-N 1 2 419.865 3.737 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000550011091 1009610259 /nfs/dbraw/zinc/61/02/59/1009610259.db2.gz NZSILFMVRLQDNB-CXAGYDPISA-N 1 2 419.865 3.737 20 5 HHBDLO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000520845127 1009899638 /nfs/dbraw/zinc/89/96/38/1009899638.db2.gz GXAFBMHQCNZWSK-UHFFFAOYSA-N 1 2 424.526 3.915 20 5 HHBDLO O=[N+]([O-])c1ccccc1-n1ccc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)n1 ZINC000546991291 1009949472 /nfs/dbraw/zinc/94/94/72/1009949472.db2.gz AHCYLWSAENMHFZ-UHFFFAOYSA-N 1 2 413.397 3.742 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000544464389 1010088606 /nfs/dbraw/zinc/08/86/06/1010088606.db2.gz QGDMYEKIGXGHSN-UONOGXRCSA-N 1 2 410.430 3.936 20 5 HHBDLO CCc1cccc2c(CCNC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)c[nH]c21 ZINC000521132462 1010157810 /nfs/dbraw/zinc/15/78/10/1010157810.db2.gz ZZLSUMXCNWAXCQ-UHFFFAOYSA-N 1 2 403.442 3.797 20 5 HHBDLO CC(C)(C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000547260764 1010207281 /nfs/dbraw/zinc/20/72/81/1010207281.db2.gz ATQJORBHTWIRPN-UHFFFAOYSA-N 1 2 402.470 3.927 20 5 HHBDLO Cc1cc(Br)cn2cc(CCNC(=O)c3ccc([N+](=O)[O-])c(C)c3)[nH+]c12 ZINC000545356937 1010748750 /nfs/dbraw/zinc/74/87/50/1010748750.db2.gz NEOQUXCPIYVVGQ-UHFFFAOYSA-N 1 2 417.263 3.594 20 5 HHBDLO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000551713600 1010756528 /nfs/dbraw/zinc/75/65/28/1010756528.db2.gz FLPJZRYGDXTJBH-AWEZNQCLSA-N 1 2 415.471 3.894 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)n2)cc1 ZINC000540592920 1011249813 /nfs/dbraw/zinc/24/98/13/1011249813.db2.gz VRCZPMWJHOEDEL-HXUWFJFHSA-N 1 2 408.414 3.657 20 5 HHBDLO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000523111910 1011580892 /nfs/dbraw/zinc/58/08/92/1011580892.db2.gz ONDDQMJEXURANX-SFHVURJKSA-N 1 2 423.922 3.672 20 5 HHBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000536662060 1011812165 /nfs/dbraw/zinc/81/21/65/1011812165.db2.gz NDDBRQBFNDEKIA-UHFFFAOYSA-N 1 2 402.454 3.615 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000536732249 1011906760 /nfs/dbraw/zinc/90/67/60/1011906760.db2.gz BDWGKKOFCHUHQY-QGZVFWFLSA-N 1 2 414.481 3.750 20 5 HHBDLO Cn1ccnc1[C@@H]([NH2+]CCNc1ncc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000552247605 1012258916 /nfs/dbraw/zinc/25/89/16/1012258916.db2.gz VDMRZOUZUYBRFC-INIZCTEOSA-N 1 2 421.288 3.821 20 5 HHBDLO COc1cc(-c2nnc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)o2)cc(OC)c1OC ZINC000537074250 1012415391 /nfs/dbraw/zinc/41/53/91/1012415391.db2.gz AGYADFVPZXHQLO-GFCCVEGCSA-N 1 2 414.418 3.521 20 5 HHBDLO COc1cc(C[NH2+][C@H](c2nnc3ccccn32)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000541614988 1012419690 /nfs/dbraw/zinc/41/96/90/1012419690.db2.gz XIICIMGSRMRIPO-KRWDZBQOSA-N 1 2 421.404 3.734 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000541645103 1012465595 /nfs/dbraw/zinc/46/55/95/1012465595.db2.gz AUPZAGFKJLPKGS-KGLIPLIRSA-N 1 2 410.430 3.936 20 5 HHBDLO C[N@@H+]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C[C@@H]1Cc1ccccc1 ZINC000552459130 1012483632 /nfs/dbraw/zinc/48/36/32/1012483632.db2.gz ATYFXENODAUTIV-IBGZPJMESA-N 1 2 411.505 3.680 20 5 HHBDLO C[N@H+]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C[C@@H]1Cc1ccccc1 ZINC000552459130 1012483644 /nfs/dbraw/zinc/48/36/44/1012483644.db2.gz ATYFXENODAUTIV-IBGZPJMESA-N 1 2 411.505 3.680 20 5 HHBDLO Cc1ccc(-c2nc(C[NH2+]CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000541761023 1012622998 /nfs/dbraw/zinc/62/29/98/1012622998.db2.gz PPBOLCLAFAJOBK-UHFFFAOYSA-N 1 2 417.512 3.590 20 5 HHBDLO Cc1cc(NCc2ccccc2OCC[NH+]2CCOCC2)c2cccc([N+](=O)[O-])c2n1 ZINC000537347477 1012811916 /nfs/dbraw/zinc/81/19/16/1012811916.db2.gz MHIYGDKARPGUOA-UHFFFAOYSA-N 1 2 422.485 3.775 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542041223 1012943263 /nfs/dbraw/zinc/94/32/63/1012943263.db2.gz GRLLNMXGZYIRLJ-APWZRJJASA-N 1 2 422.407 3.647 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542041223 1012943270 /nfs/dbraw/zinc/94/32/70/1012943270.db2.gz GRLLNMXGZYIRLJ-APWZRJJASA-N 1 2 422.407 3.647 20 5 HHBDLO CSc1ccc([N+](=O)[O-])c(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1 ZINC000904497689 1071793256 /nfs/dbraw/zinc/79/32/56/1071793256.db2.gz PSYQIAWEZCCZBQ-UHFFFAOYSA-N 1 2 412.471 3.866 20 5 HHBDLO COc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000571810647 1072860994 /nfs/dbraw/zinc/86/09/94/1072860994.db2.gz MQGBKHOHQMUMJS-KXBFYZLASA-N 1 2 412.433 3.781 20 5 HHBDLO COc1cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000571810647 1072861011 /nfs/dbraw/zinc/86/10/11/1072861011.db2.gz MQGBKHOHQMUMJS-KXBFYZLASA-N 1 2 412.433 3.781 20 5 HHBDLO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000571984858 1072963985 /nfs/dbraw/zinc/96/39/85/1072963985.db2.gz XFEZNBBTWIFGJD-OAHLLOKOSA-N 1 2 418.291 3.793 20 5 HHBDLO CC[C@@H]1Cc2c(Br)cccc2C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000571984858 1072963986 /nfs/dbraw/zinc/96/39/86/1072963986.db2.gz XFEZNBBTWIFGJD-OAHLLOKOSA-N 1 2 418.291 3.793 20 5 HHBDLO CC(C)c1ccc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cc1[N+](=O)[O-] ZINC000588845453 1073303254 /nfs/dbraw/zinc/30/32/54/1073303254.db2.gz FJDUWFYSJXZAJF-UHFFFAOYSA-N 1 2 402.520 3.953 20 5 HHBDLO CC[NH+](CC)Cc1csc(NC(=O)c2cccc([N+](=O)[O-])c2Br)n1 ZINC000760811688 1074142600 /nfs/dbraw/zinc/14/26/00/1074142600.db2.gz BSXNBDYRGCUFGO-UHFFFAOYSA-N 1 2 413.297 3.908 20 5 HHBDLO O=C(OCc1ccccc1Br)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001126969274 1074161323 /nfs/dbraw/zinc/16/13/23/1074161323.db2.gz SDQCFDWDTBRQNR-UHFFFAOYSA-N 1 2 402.204 3.900 20 5 HHBDLO COc1cc2c(cc1Cl)CN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)CC2 ZINC000573238487 1074319557 /nfs/dbraw/zinc/31/95/57/1074319557.db2.gz JODNFPQYVTXMLU-UHFFFAOYSA-N 1 2 412.833 3.641 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1 ZINC000573692970 1074645478 /nfs/dbraw/zinc/64/54/78/1074645478.db2.gz VVFJOLUUFKQYGE-UHFFFAOYSA-N 1 2 404.492 3.934 20 5 HHBDLO Cc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000575079170 1075471724 /nfs/dbraw/zinc/47/17/24/1075471724.db2.gz QEAAKQDZOMFTCI-QGZVFWFLSA-N 1 2 421.457 3.505 20 5 HHBDLO Cc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000575079170 1075471728 /nfs/dbraw/zinc/47/17/28/1075471728.db2.gz QEAAKQDZOMFTCI-QGZVFWFLSA-N 1 2 421.457 3.505 20 5 HHBDLO CN1CC[NH+](C[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000301172603 970786307 /nfs/dbraw/zinc/78/63/07/970786307.db2.gz UZCHDVXUOVTECB-SFHVURJKSA-N 1 2 419.323 3.758 20 5 HHBDLO Cc1cc([N+](=O)[O-])cnc1NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000301210742 970810267 /nfs/dbraw/zinc/81/02/67/970810267.db2.gz WOBOKZNRDSXOAK-UHFFFAOYSA-N 1 2 422.464 3.771 20 5 HHBDLO O=c1[nH]cnc2cc(N[C@@H]3CCC[N@H+](Cc4c(F)cccc4F)C3)c([N+](=O)[O-])cc12 ZINC000301235757 970823953 /nfs/dbraw/zinc/82/39/53/970823953.db2.gz HPJNGWKFVISNGM-GFCCVEGCSA-N 1 2 415.400 3.598 20 5 HHBDLO O=c1[nH]cnc2cc(N[C@@H]3CCC[N@@H+](Cc4c(F)cccc4F)C3)c([N+](=O)[O-])cc12 ZINC000301235757 970823963 /nfs/dbraw/zinc/82/39/63/970823963.db2.gz HPJNGWKFVISNGM-GFCCVEGCSA-N 1 2 415.400 3.598 20 5 HHBDLO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1c(F)cccc1F ZINC000301399471 970909354 /nfs/dbraw/zinc/90/93/54/970909354.db2.gz PFCOHIGDZLUSQJ-QGZVFWFLSA-N 1 2 406.389 3.544 20 5 HHBDLO CC(C)(C)n1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cn1 ZINC000301404815 970911502 /nfs/dbraw/zinc/91/15/02/970911502.db2.gz LBEPGEOVVOKYIB-UHFFFAOYSA-N 1 2 411.428 3.887 20 5 HHBDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000301481203 970950271 /nfs/dbraw/zinc/95/02/71/970950271.db2.gz YRCJKTVMOLLXFG-LJQANCHMSA-N 1 2 418.444 3.506 20 5 HHBDLO CC[N@@H+]1CC[C@@H](Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000302063144 971165966 /nfs/dbraw/zinc/16/59/66/971165966.db2.gz AEGPWXASDFFGDR-VQIMIIECSA-N 1 2 422.407 3.619 20 5 HHBDLO CC[N@H+]1CC[C@@H](Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000302063144 971165969 /nfs/dbraw/zinc/16/59/69/971165969.db2.gz AEGPWXASDFFGDR-VQIMIIECSA-N 1 2 422.407 3.619 20 5 HHBDLO O=[N+]([O-])c1cnc(N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)nc1 ZINC000302211808 971208620 /nfs/dbraw/zinc/20/86/20/971208620.db2.gz GZUVNJPHXJOOML-FQEVSTJZSA-N 1 2 409.877 3.950 20 5 HHBDLO O=C(C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000303416237 971693514 /nfs/dbraw/zinc/69/35/14/971693514.db2.gz WKFIBUUWIOINTL-UHFFFAOYSA-N 1 2 413.865 3.943 20 5 HHBDLO C[S@@](=O)Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1Cl ZINC000303673385 971952078 /nfs/dbraw/zinc/95/20/78/971952078.db2.gz ZFVYGJSPKQUABP-MUUNZHRXSA-N 1 2 418.862 3.565 20 5 HHBDLO Cc1nsc(N2CCC[N@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)n1 ZINC000537619681 1013162231 /nfs/dbraw/zinc/16/22/31/1013162231.db2.gz IYICBTADCWWBGS-UHFFFAOYSA-N 1 2 416.532 3.591 20 5 HHBDLO Cc1nsc(N2CCC[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)n1 ZINC000537619681 1013162241 /nfs/dbraw/zinc/16/22/41/1013162241.db2.gz IYICBTADCWWBGS-UHFFFAOYSA-N 1 2 416.532 3.591 20 5 HHBDLO CC(=O)N1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)[C@H](C)C1 ZINC000537626299 1013176442 /nfs/dbraw/zinc/17/64/42/1013176442.db2.gz NAJPTWXCRQERKM-GFCCVEGCSA-N 1 2 422.279 3.670 20 5 HHBDLO CC(=O)N1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)[C@H](C)C1 ZINC000537626299 1013176447 /nfs/dbraw/zinc/17/64/47/1013176447.db2.gz NAJPTWXCRQERKM-GFCCVEGCSA-N 1 2 422.279 3.670 20 5 HHBDLO Cc1cc(C)c([N+](=O)[O-])c(N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC000553245288 1013211348 /nfs/dbraw/zinc/21/13/48/1013211348.db2.gz POFFZIYGAZMZCA-UHFFFAOYSA-N 1 2 420.267 3.865 20 5 HHBDLO COC(=O)c1cc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)cc(C)c1[N+](=O)[O-] ZINC000542279456 1013239529 /nfs/dbraw/zinc/23/95/29/1013239529.db2.gz XKUBCTFUVMYQPP-UHFFFAOYSA-N 1 2 420.469 3.692 20 5 HHBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000537681373 1013242464 /nfs/dbraw/zinc/24/24/64/1013242464.db2.gz BSOARDGAUIWLNF-OAHLLOKOSA-N 1 2 411.437 3.663 20 5 HHBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000014524429 962523401 /nfs/dbraw/zinc/52/34/01/962523401.db2.gz BGLPWKOTQDSLEL-UHFFFAOYSA-N 1 2 401.492 3.864 20 5 HHBDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c(OC)c1 ZINC000015366959 962738485 /nfs/dbraw/zinc/73/84/85/962738485.db2.gz BZZKPZBTARWQBL-IBGZPJMESA-N 1 2 400.431 3.816 20 5 HHBDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c(OC)c1 ZINC000015366959 962738499 /nfs/dbraw/zinc/73/84/99/962738499.db2.gz BZZKPZBTARWQBL-IBGZPJMESA-N 1 2 400.431 3.816 20 5 HHBDLO COc1cc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c([N+](=O)[O-])cc1OC ZINC000022290941 963625291 /nfs/dbraw/zinc/62/52/91/963625291.db2.gz HVQNHQPCMCLYIJ-UHFFFAOYSA-N 1 2 420.491 3.553 20 5 HHBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c2c(c1)COCO2 ZINC000023008950 963753297 /nfs/dbraw/zinc/75/32/97/963753297.db2.gz BOBINEQSIXVJMQ-UHFFFAOYSA-N 1 2 417.893 3.823 20 5 HHBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c2c(c1)COCO2 ZINC000023008950 963753303 /nfs/dbraw/zinc/75/33/03/963753303.db2.gz BOBINEQSIXVJMQ-UHFFFAOYSA-N 1 2 417.893 3.823 20 5 HHBDLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)sc2C1 ZINC000023606884 963859522 /nfs/dbraw/zinc/85/95/22/963859522.db2.gz YRSNTOSPESWUDI-UHFFFAOYSA-N 1 2 423.498 3.904 20 5 HHBDLO C[N@H+]1CCc2nc(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)sc2C1 ZINC000023606884 963859528 /nfs/dbraw/zinc/85/95/28/963859528.db2.gz YRSNTOSPESWUDI-UHFFFAOYSA-N 1 2 423.498 3.904 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050298807 964306487 /nfs/dbraw/zinc/30/64/87/964306487.db2.gz YZKPVXHCAOTUGE-UHFFFAOYSA-N 1 2 409.471 3.644 20 5 HHBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050559458 964354366 /nfs/dbraw/zinc/35/43/66/964354366.db2.gz AKLJVBGBCSFBEX-UHFFFAOYSA-N 1 2 419.466 3.893 20 5 HHBDLO Cc1c(Br)c(N2CCC(CCCn3cc[nH+]c3)CC2)ncc1[N+](=O)[O-] ZINC000542554161 1013496780 /nfs/dbraw/zinc/49/67/80/1013496780.db2.gz UYWNIGORISOQRE-UHFFFAOYSA-N 1 2 408.300 3.954 20 5 HHBDLO CC[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nc(C(F)(F)F)cs1 ZINC000542564936 1013506727 /nfs/dbraw/zinc/50/67/27/1013506727.db2.gz DZHKZIDGMYKBLX-OLZOCXBDSA-N 1 2 414.409 3.916 20 5 HHBDLO CCOc1cc(C[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(F)F ZINC000026454225 964570132 /nfs/dbraw/zinc/57/01/32/964570132.db2.gz DAMUYEBIQYKONP-UHFFFAOYSA-N 1 2 409.389 3.665 20 5 HHBDLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(F)F ZINC000026454225 964570145 /nfs/dbraw/zinc/57/01/45/964570145.db2.gz DAMUYEBIQYKONP-UHFFFAOYSA-N 1 2 409.389 3.665 20 5 HHBDLO Cc1c([C@H](C)[NH2+][C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cnn1C ZINC000542585781 1013526352 /nfs/dbraw/zinc/52/63/52/1013526352.db2.gz FLUTVUKARNTQHJ-YCRPNKLZSA-N 1 2 407.474 3.976 20 5 HHBDLO CCOc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c([N+](=O)[O-])cc1OC ZINC000054224440 965433579 /nfs/dbraw/zinc/43/35/79/965433579.db2.gz BZUMPNBDNLPWOU-UHFFFAOYSA-N 1 2 400.366 3.579 20 5 HHBDLO C[C@@H]1CCCN(c2ccc(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)cc2[N+](=O)[O-])C1 ZINC000030012144 965595116 /nfs/dbraw/zinc/59/51/16/965595116.db2.gz JRBASCWOFNPHLC-QGZVFWFLSA-N 1 2 423.517 3.756 20 5 HHBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000542684076 1013605117 /nfs/dbraw/zinc/60/51/17/1013605117.db2.gz ZVZNNJBFOZRJQV-NQIIRXRSSA-N 1 2 424.432 3.912 20 5 HHBDLO O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055943327 966148472 /nfs/dbraw/zinc/14/84/72/966148472.db2.gz VFXHOWCRJAZGTC-UXHICEINSA-N 1 2 410.405 3.570 20 5 HHBDLO COc1cc([C@@H](C)[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc(OC)c1OC ZINC000538126018 1013687797 /nfs/dbraw/zinc/68/77/97/1013687797.db2.gz PMJWBDDZPUISBU-GFCCVEGCSA-N 1 2 414.418 3.521 20 5 HHBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCCNc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000043546185 966995544 /nfs/dbraw/zinc/99/55/44/966995544.db2.gz RTWJKLFNYIZDFI-CQSZACIVSA-N 1 2 418.523 3.517 20 5 HHBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCNc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000043546185 966995548 /nfs/dbraw/zinc/99/55/48/966995548.db2.gz RTWJKLFNYIZDFI-CQSZACIVSA-N 1 2 418.523 3.517 20 5 HHBDLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350464 967150908 /nfs/dbraw/zinc/15/09/08/967150908.db2.gz GNMVHSIXNKAVNF-UHFFFAOYSA-N 1 2 419.503 3.909 20 5 HHBDLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350464 967150916 /nfs/dbraw/zinc/15/09/16/967150916.db2.gz GNMVHSIXNKAVNF-UHFFFAOYSA-N 1 2 419.503 3.909 20 5 HHBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000047580589 968244120 /nfs/dbraw/zinc/24/41/20/968244120.db2.gz XZNSBNQUFFYDSX-IRXDYDNUSA-N 1 2 412.490 3.868 20 5 HHBDLO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[NH+](Cc2ccsc2)CC1 ZINC000047865038 968345883 /nfs/dbraw/zinc/34/58/83/968345883.db2.gz DNFTVZYOZAXWPW-UHFFFAOYSA-N 1 2 412.418 3.607 20 5 HHBDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000096953393 969061354 /nfs/dbraw/zinc/06/13/54/969061354.db2.gz VGLRYOPKWGSTHA-UHFFFAOYSA-N 1 2 424.501 3.670 20 5 HHBDLO O=C(NCCCOc1cccc2cccnc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000111021140 969761195 /nfs/dbraw/zinc/76/11/95/969761195.db2.gz KAVSKKJDYYEGRB-UHFFFAOYSA-N 1 2 417.425 3.528 20 5 HHBDLO COc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000116165050 969877318 /nfs/dbraw/zinc/87/73/18/969877318.db2.gz LYFZLMIOXKEJGA-GOSISDBHSA-N 1 2 406.442 3.636 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000117145759 969938853 /nfs/dbraw/zinc/93/88/53/969938853.db2.gz WHCGRMZOPUUHKO-UHFFFAOYSA-N 1 2 424.432 3.952 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000117145759 969938859 /nfs/dbraw/zinc/93/88/59/969938859.db2.gz WHCGRMZOPUUHKO-UHFFFAOYSA-N 1 2 424.432 3.952 20 5 HHBDLO CC(C)(C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc([N+](=O)[O-])cc1F ZINC000410289414 973819575 /nfs/dbraw/zinc/81/95/75/973819575.db2.gz IWRXXPDQAQURQS-HNNXBMFYSA-N 1 2 414.481 3.951 20 5 HHBDLO C[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000426270313 974359987 /nfs/dbraw/zinc/35/99/87/974359987.db2.gz HYYGYXCYVHZZSU-MLGOLLRUSA-N 1 2 411.384 3.603 20 5 HHBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000430502852 977604857 /nfs/dbraw/zinc/60/48/57/977604857.db2.gz JXKQGMLTMMHFJP-UHFFFAOYSA-N 1 2 409.284 3.669 20 5 HHBDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)C[C@H](C)O2 ZINC000430864787 977825325 /nfs/dbraw/zinc/82/53/25/977825325.db2.gz ADQWMOMFEUEZAX-QEEYODRMSA-N 1 2 403.504 3.877 20 5 HHBDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)C[C@H](C)O2 ZINC000430864787 977825330 /nfs/dbraw/zinc/82/53/30/977825330.db2.gz ADQWMOMFEUEZAX-QEEYODRMSA-N 1 2 403.504 3.877 20 5 HHBDLO Cc1noc(C[C@H]([NH2+][C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc2)n1 ZINC000431190817 978085106 /nfs/dbraw/zinc/08/51/06/978085106.db2.gz CHWSNVIUJQZGOM-ACJLOTCBSA-N 1 2 420.429 3.971 20 5 HHBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431772169 978500503 /nfs/dbraw/zinc/50/05/03/978500503.db2.gz KRSOKVNKYAFBOH-UHFFFAOYSA-N 1 2 415.247 3.532 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431774196 978502076 /nfs/dbraw/zinc/50/20/76/978502076.db2.gz XXNMVDGGPQSIGP-UHFFFAOYSA-N 1 2 419.279 3.673 20 5 HHBDLO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2[N+](=O)[O-])C1 ZINC000433961820 979719209 /nfs/dbraw/zinc/71/92/09/979719209.db2.gz WLDUYNARUMHVCC-FUHIMQAGSA-N 1 2 424.501 3.766 20 5 HHBDLO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2[N+](=O)[O-])C1 ZINC000434286916 980047293 /nfs/dbraw/zinc/04/72/93/980047293.db2.gz LFJBEZSTRHADNR-HZPDHXFCSA-N 1 2 411.506 3.820 20 5 HHBDLO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2[N+](=O)[O-])C1 ZINC000434286916 980047302 /nfs/dbraw/zinc/04/73/02/980047302.db2.gz LFJBEZSTRHADNR-HZPDHXFCSA-N 1 2 411.506 3.820 20 5 HHBDLO Cc1c(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435326797 980785874 /nfs/dbraw/zinc/78/58/74/980785874.db2.gz DVZNPQVLTZDBRJ-UHFFFAOYSA-N 1 2 408.256 3.800 20 5 HHBDLO Cc1cc(OCC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)ccc1[N+](=O)[O-] ZINC000435581313 980949466 /nfs/dbraw/zinc/94/94/66/980949466.db2.gz YBIRONAONXHFTG-ZDUSSCGKSA-N 1 2 404.492 3.609 20 5 HHBDLO Cc1cc(OCC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)ccc1[N+](=O)[O-] ZINC000435581313 980949468 /nfs/dbraw/zinc/94/94/68/980949468.db2.gz YBIRONAONXHFTG-ZDUSSCGKSA-N 1 2 404.492 3.609 20 5 HHBDLO C[NH+](C)[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccsc1 ZINC000436091274 981195487 /nfs/dbraw/zinc/19/54/87/981195487.db2.gz IKHLBHDUYYSVLF-GOSISDBHSA-N 1 2 409.486 3.915 20 5 HHBDLO Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000460380647 982159164 /nfs/dbraw/zinc/15/91/64/982159164.db2.gz ABAGSIMHJLBMFD-IERDGZPVSA-N 1 2 406.442 3.691 20 5 HHBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438017611 982526368 /nfs/dbraw/zinc/52/63/68/982526368.db2.gz XONGFCNBXTZOMK-UHFFFAOYSA-N 1 2 405.458 3.714 20 5 HHBDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000439788158 983539459 /nfs/dbraw/zinc/53/94/59/983539459.db2.gz LSEKDQWBICPJGV-OPAMFIHVSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000439788158 983539469 /nfs/dbraw/zinc/53/94/69/983539469.db2.gz LSEKDQWBICPJGV-OPAMFIHVSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000439788155 983539501 /nfs/dbraw/zinc/53/95/01/983539501.db2.gz LSEKDQWBICPJGV-AOMKIAJQSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000439788155 983539505 /nfs/dbraw/zinc/53/95/05/983539505.db2.gz LSEKDQWBICPJGV-AOMKIAJQSA-N 1 2 410.518 3.979 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](CCCO)Cc3cccc(Cl)c3)n2)cc1 ZINC000441066505 984052489 /nfs/dbraw/zinc/05/24/89/984052489.db2.gz PNDNDNRHLHURML-UHFFFAOYSA-N 1 2 402.838 3.683 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](CCCO)Cc3cccc(Cl)c3)n2)cc1 ZINC000441066505 984052499 /nfs/dbraw/zinc/05/24/99/984052499.db2.gz PNDNDNRHLHURML-UHFFFAOYSA-N 1 2 402.838 3.683 20 5 HHBDLO COc1cc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OC ZINC000441482702 984277280 /nfs/dbraw/zinc/27/72/80/984277280.db2.gz AWNMACFTOTWZOZ-SFHVURJKSA-N 1 2 424.457 3.597 20 5 HHBDLO COc1cc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c([N+](=O)[O-])cc1OC ZINC000441501134 984289739 /nfs/dbraw/zinc/28/97/39/984289739.db2.gz RSKBYCVZACADCX-SFHVURJKSA-N 1 2 424.457 3.597 20 5 HHBDLO COc1cc(S(=O)(=O)Nc2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)ccc1[N+](=O)[O-] ZINC000462352695 985341534 /nfs/dbraw/zinc/34/15/34/985341534.db2.gz NZMDPKBFLBSOBI-CQSZACIVSA-N 1 2 419.503 3.764 20 5 HHBDLO COc1cc(S(=O)(=O)Nc2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)ccc1[N+](=O)[O-] ZINC000462352695 985341546 /nfs/dbraw/zinc/34/15/46/985341546.db2.gz NZMDPKBFLBSOBI-CQSZACIVSA-N 1 2 419.503 3.764 20 5 HHBDLO COc1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)cc1[N+](=O)[O-] ZINC000462380470 985363202 /nfs/dbraw/zinc/36/32/02/985363202.db2.gz LPNFFULTHSDQBZ-CQSZACIVSA-N 1 2 419.503 3.764 20 5 HHBDLO COc1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)cc1[N+](=O)[O-] ZINC000462380470 985363213 /nfs/dbraw/zinc/36/32/13/985363213.db2.gz LPNFFULTHSDQBZ-CQSZACIVSA-N 1 2 419.503 3.764 20 5 HHBDLO CSc1cccc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1[N+](=O)[O-] ZINC000443561363 985734393 /nfs/dbraw/zinc/73/43/93/985734393.db2.gz RVJOFINQIUYTAJ-UHFFFAOYSA-N 1 2 405.907 3.758 20 5 HHBDLO CSc1cccc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1[N+](=O)[O-] ZINC000443561363 985734399 /nfs/dbraw/zinc/73/43/99/985734399.db2.gz RVJOFINQIUYTAJ-UHFFFAOYSA-N 1 2 405.907 3.758 20 5 HHBDLO O=C(Nc1cc(F)c(OC(F)F)cc1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000468212249 985904661 /nfs/dbraw/zinc/90/46/61/985904661.db2.gz UIOFULSYJVKQKN-UHFFFAOYSA-N 1 2 410.283 3.912 20 5 HHBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000463038366 985998327 /nfs/dbraw/zinc/99/83/27/985998327.db2.gz PWLFUAKTHZMWPD-LBPRGKRZSA-N 1 2 411.430 3.777 20 5 HHBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000463098814 986057588 /nfs/dbraw/zinc/05/75/88/986057588.db2.gz MPSKAHODNPPRPG-MRXNPFEDSA-N 1 2 414.531 3.776 20 5 HHBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444233424 986421557 /nfs/dbraw/zinc/42/15/57/986421557.db2.gz DWEDWLJLAQEWCO-UHFFFAOYSA-N 1 2 404.376 3.537 20 5 HHBDLO C[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[N@@H+]1CCc2sccc2C1 ZINC000444861310 987017635 /nfs/dbraw/zinc/01/76/35/987017635.db2.gz SLPJSBMAWRGZOY-OAHLLOKOSA-N 1 2 417.534 3.919 20 5 HHBDLO C[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[N@H+]1CCc2sccc2C1 ZINC000444861310 987017649 /nfs/dbraw/zinc/01/76/49/987017649.db2.gz SLPJSBMAWRGZOY-OAHLLOKOSA-N 1 2 417.534 3.919 20 5 HHBDLO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc2[N+](=O)[O-])C1 ZINC000469386952 987086571 /nfs/dbraw/zinc/08/65/71/987086571.db2.gz VCOPDIHZNGQXML-LLGFUMIMSA-N 1 2 411.506 3.751 20 5 HHBDLO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)cc2[N+](=O)[O-])C1 ZINC000469429320 987116408 /nfs/dbraw/zinc/11/64/08/987116408.db2.gz CBNHEZUTHXOXCC-APWZRJJASA-N 1 2 410.474 3.520 20 5 HHBDLO Cc1cc(N2CCN(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC2)nc(C(C)C)[nH+]1 ZINC000463954350 988065450 /nfs/dbraw/zinc/06/54/50/988065450.db2.gz LFILUMYWCRHTGG-UHFFFAOYSA-N 1 2 412.494 3.788 20 5 HHBDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000470520753 988520588 /nfs/dbraw/zinc/52/05/88/988520588.db2.gz UQKSNDCHXPQYSG-UHFFFAOYSA-N 1 2 406.442 3.773 20 5 HHBDLO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000470639976 988653531 /nfs/dbraw/zinc/65/35/31/988653531.db2.gz WAQDGWYWJNIFDU-RTWAWAEBSA-N 1 2 405.458 3.562 20 5 HHBDLO Cc1cccc(S(=O)(=O)CCC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000464680669 988884413 /nfs/dbraw/zinc/88/44/13/988884413.db2.gz BWFXVSKIDJXZBM-UHFFFAOYSA-N 1 2 418.515 3.610 20 5 HHBDLO O=C(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N1CCSc2ccccc21 ZINC000464771957 988995562 /nfs/dbraw/zinc/99/55/62/988995562.db2.gz DJNAUAIHDLQPDY-UHFFFAOYSA-N 1 2 413.499 3.577 20 5 HHBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](COC)Cc1ccccc1 ZINC000471461375 989648398 /nfs/dbraw/zinc/64/83/98/989648398.db2.gz XZOGMGCDMKRGDQ-IBGZPJMESA-N 1 2 408.458 3.500 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC=C(c2c(F)cccc2F)CC1 ZINC000471999592 990167778 /nfs/dbraw/zinc/16/77/78/990167778.db2.gz SQPMVKRFGSKEDI-UHFFFAOYSA-N 1 2 410.380 3.988 20 5 HHBDLO COCc1ccc([C@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000467015795 992323059 /nfs/dbraw/zinc/32/30/59/992323059.db2.gz IYJFKFKPYKVLGA-CXAGYDPISA-N 1 2 403.435 3.507 20 5 HHBDLO COCc1ccc([C@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000467015795 992323067 /nfs/dbraw/zinc/32/30/67/992323067.db2.gz IYJFKFKPYKVLGA-CXAGYDPISA-N 1 2 403.435 3.507 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000467221106 992544475 /nfs/dbraw/zinc/54/44/75/992544475.db2.gz ZORWCYBVCQUDQW-QZTJIDSGSA-N 1 2 424.835 3.771 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000467221106 992544486 /nfs/dbraw/zinc/54/44/86/992544486.db2.gz ZORWCYBVCQUDQW-QZTJIDSGSA-N 1 2 424.835 3.771 20 5 HHBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000467223522 992546896 /nfs/dbraw/zinc/54/68/96/992546896.db2.gz FPSUHGYVIHZBQU-UHFFFAOYSA-N 1 2 405.886 3.847 20 5 HHBDLO O=C(Nc1ccc(Cl)cc1-n1cccn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000472669616 993595546 /nfs/dbraw/zinc/59/55/46/993595546.db2.gz PJJMCURNLWNKGV-UHFFFAOYSA-N 1 2 408.805 3.872 20 5 HHBDLO CCOc1cc(N2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)ccc1[N+](=O)[O-] ZINC000481778739 994628053 /nfs/dbraw/zinc/62/80/53/994628053.db2.gz MPRLFGUIDAJMCE-UHFFFAOYSA-N 1 2 408.458 3.971 20 5 HHBDLO Cc1cc(Br)c(O)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000482606040 995604192 /nfs/dbraw/zinc/60/41/92/995604192.db2.gz QRDHJHNYXSBZRY-UHFFFAOYSA-N 1 2 417.219 3.809 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2C[C@H](CC)O[C@@]3(CCOC3)C2)cc1OC ZINC000483148720 996003549 /nfs/dbraw/zinc/00/35/49/996003549.db2.gz UGTNGQHNZCNNSV-ZJBJCVSYSA-N 1 2 422.522 3.798 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@H](CC)O[C@@]3(CCOC3)C2)cc1OC ZINC000483148720 996003550 /nfs/dbraw/zinc/00/35/50/996003550.db2.gz UGTNGQHNZCNNSV-ZJBJCVSYSA-N 1 2 422.522 3.798 20 5 HHBDLO C[C@@H](Nc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000475714551 996317940 /nfs/dbraw/zinc/31/79/40/996317940.db2.gz IRHMLUSPAKEUNY-OAHLLOKOSA-N 1 2 416.441 3.741 20 5 HHBDLO COC(=O)COc1ccc(C[NH+]2CCC(=Cc3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC000475723332 996324834 /nfs/dbraw/zinc/32/48/34/996324834.db2.gz OJKODXCTDRCXRO-UHFFFAOYSA-N 1 2 414.433 3.965 20 5 HHBDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000476457384 996930558 /nfs/dbraw/zinc/93/05/58/996930558.db2.gz HQZZRBOXYQDIMW-UHFFFAOYSA-N 1 2 415.515 3.587 20 5 HHBDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000476457384 996930573 /nfs/dbraw/zinc/93/05/73/996930573.db2.gz HQZZRBOXYQDIMW-UHFFFAOYSA-N 1 2 415.515 3.587 20 5 HHBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000479734758 999562783 /nfs/dbraw/zinc/56/27/83/999562783.db2.gz OJCBLLTTYRLWMO-HXUWFJFHSA-N 1 2 407.474 3.957 20 5 HHBDLO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000488887536 999637341 /nfs/dbraw/zinc/63/73/41/999637341.db2.gz SWBRKQZJLYLBNN-HOTGVXAUSA-N 1 2 415.515 3.585 20 5 HHBDLO Cc1c(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000480053304 999703293 /nfs/dbraw/zinc/70/32/93/999703293.db2.gz JTHHRUNUXHEAIG-SFTDATJTSA-N 1 2 405.458 3.828 20 5 HHBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000489206425 999722264 /nfs/dbraw/zinc/72/22/64/999722264.db2.gz PEVDJWPQJDOILX-TZIWHRDSSA-N 1 2 415.877 3.775 20 5 HHBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000489206425 999722266 /nfs/dbraw/zinc/72/22/66/999722266.db2.gz PEVDJWPQJDOILX-TZIWHRDSSA-N 1 2 415.877 3.775 20 5 HHBDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)no1 ZINC000480224800 999749689 /nfs/dbraw/zinc/74/96/89/999749689.db2.gz JYWXOLLJWWIICY-AWEZNQCLSA-N 1 2 424.299 3.540 20 5 HHBDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)no1 ZINC000480224800 999749692 /nfs/dbraw/zinc/74/96/92/999749692.db2.gz JYWXOLLJWWIICY-AWEZNQCLSA-N 1 2 424.299 3.540 20 5 HHBDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3cc(C)nc4c3cccc4[N+](=O)[O-])CC2)no1 ZINC000480234095 999752662 /nfs/dbraw/zinc/75/26/62/999752662.db2.gz VUESPBDTXCWGHT-INIZCTEOSA-N 1 2 410.478 3.634 20 5 HHBDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3cc(C)nc4c3cccc4[N+](=O)[O-])CC2)no1 ZINC000480234095 999752663 /nfs/dbraw/zinc/75/26/63/999752663.db2.gz VUESPBDTXCWGHT-INIZCTEOSA-N 1 2 410.478 3.634 20 5 HHBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000489551699 999790505 /nfs/dbraw/zinc/79/05/05/999790505.db2.gz VFCJZCGTSLZLDJ-UHFFFAOYSA-N 1 2 418.457 3.840 20 5 HHBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000489551699 999790508 /nfs/dbraw/zinc/79/05/08/999790508.db2.gz VFCJZCGTSLZLDJ-UHFFFAOYSA-N 1 2 418.457 3.840 20 5 HHBDLO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nc(C(F)(F)F)cs1 ZINC000490047371 999884637 /nfs/dbraw/zinc/88/46/37/999884637.db2.gz SMVBKOQEYUTWMO-SKDRFNHKSA-N 1 2 400.382 3.526 20 5 HHBDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000490067628 999888246 /nfs/dbraw/zinc/88/82/46/999888246.db2.gz OTIHKTPNRSIWAX-GOSISDBHSA-N 1 2 407.854 3.515 20 5 HHBDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000490067628 999888247 /nfs/dbraw/zinc/88/82/47/999888247.db2.gz OTIHKTPNRSIWAX-GOSISDBHSA-N 1 2 407.854 3.515 20 5 HHBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccnn1Cc1cccs1 ZINC000490826218 1000012547 /nfs/dbraw/zinc/01/25/47/1000012547.db2.gz LTVXVPJQKBRDLK-UHFFFAOYSA-N 1 2 411.487 3.504 20 5 HHBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccnn1Cc1cccs1 ZINC000490826218 1000012549 /nfs/dbraw/zinc/01/25/49/1000012549.db2.gz LTVXVPJQKBRDLK-UHFFFAOYSA-N 1 2 411.487 3.504 20 5 HHBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000491267909 1000060070 /nfs/dbraw/zinc/06/00/70/1000060070.db2.gz MBIFCVUSUIKKLB-UHFFFAOYSA-N 1 2 409.552 3.526 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000494097816 1000306462 /nfs/dbraw/zinc/30/64/62/1000306462.db2.gz XTVBVWWMRPGBSI-PKOBYXMFSA-N 1 2 403.429 3.712 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000494097816 1000306469 /nfs/dbraw/zinc/30/64/69/1000306469.db2.gz XTVBVWWMRPGBSI-PKOBYXMFSA-N 1 2 403.429 3.712 20 5 HHBDLO Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)[nH+]1 ZINC000494554337 1000552445 /nfs/dbraw/zinc/55/24/45/1000552445.db2.gz VCUFKOYZQMYLQJ-JTQLQIEISA-N 1 2 416.488 3.518 20 5 HHBDLO O=C(C[N@@H+]1CCC[C@H](OCC2CC2)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000494709444 1000615508 /nfs/dbraw/zinc/61/55/08/1000615508.db2.gz LFWBREKQKQPZEQ-KRWDZBQOSA-N 1 2 416.503 3.548 20 5 HHBDLO O=C(C[N@H+]1CCC[C@H](OCC2CC2)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000494709444 1000615511 /nfs/dbraw/zinc/61/55/11/1000615511.db2.gz LFWBREKQKQPZEQ-KRWDZBQOSA-N 1 2 416.503 3.548 20 5 HHBDLO O=C(NCC1CCC1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000505339975 1000712565 /nfs/dbraw/zinc/71/25/65/1000712565.db2.gz QRQVNNLJIUHHDN-UHFFFAOYSA-N 1 2 414.531 3.951 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)[C@H]1c1ccc(F)c(F)c1 ZINC000497488435 1001395617 /nfs/dbraw/zinc/39/56/17/1001395617.db2.gz MVYLZCNDWULILN-QFBILLFUSA-N 1 2 400.385 3.530 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)[C@H]1c1ccc(F)c(F)c1 ZINC000497488435 1001395620 /nfs/dbraw/zinc/39/56/20/1001395620.db2.gz MVYLZCNDWULILN-QFBILLFUSA-N 1 2 400.385 3.530 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)[C@@H]1c1ccc(F)c(F)c1 ZINC000497488433 1001395782 /nfs/dbraw/zinc/39/57/82/1001395782.db2.gz MVYLZCNDWULILN-LPHOPBHVSA-N 1 2 400.385 3.530 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)[C@@H]1c1ccc(F)c(F)c1 ZINC000497488433 1001395787 /nfs/dbraw/zinc/39/57/87/1001395787.db2.gz MVYLZCNDWULILN-LPHOPBHVSA-N 1 2 400.385 3.530 20 5 HHBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000497753595 1001504710 /nfs/dbraw/zinc/50/47/10/1001504710.db2.gz RIFLCUHOPQHONP-MRXNPFEDSA-N 1 2 421.457 3.554 20 5 HHBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000497753595 1001504713 /nfs/dbraw/zinc/50/47/13/1001504713.db2.gz RIFLCUHOPQHONP-MRXNPFEDSA-N 1 2 421.457 3.554 20 5 HHBDLO Cn1cc(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506910811 1001589985 /nfs/dbraw/zinc/58/99/85/1001589985.db2.gz IYBPHXIZPGSIGP-UHFFFAOYSA-N 1 2 413.865 3.719 20 5 HHBDLO Cn1cc(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506910811 1001589988 /nfs/dbraw/zinc/58/99/88/1001589988.db2.gz IYBPHXIZPGSIGP-UHFFFAOYSA-N 1 2 413.865 3.719 20 5 HHBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC2)c1 ZINC000498268044 1001743298 /nfs/dbraw/zinc/74/32/98/1001743298.db2.gz LKNKTEPQDMFHIZ-MRXNPFEDSA-N 1 2 420.469 3.671 20 5 HHBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000499040118 1002420379 /nfs/dbraw/zinc/42/03/79/1002420379.db2.gz ROXLCAVNDKTIRX-HNNXBMFYSA-N 1 2 408.433 3.801 20 5 HHBDLO Cc1ccc(NC(=O)C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)nc1 ZINC000508009529 1002535896 /nfs/dbraw/zinc/53/58/96/1002535896.db2.gz QAPIEPDPHCZWAO-UHFFFAOYSA-N 1 2 420.416 3.750 20 5 HHBDLO Cc1c(Br)cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000508402542 1002891693 /nfs/dbraw/zinc/89/16/93/1002891693.db2.gz GZVWMNXASBBQGS-UHFFFAOYSA-N 1 2 424.320 3.685 20 5 HHBDLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000499868910 1003206363 /nfs/dbraw/zinc/20/63/63/1003206363.db2.gz JNJNRJFWPFZKFZ-UHFFFAOYSA-N 1 2 406.442 3.523 20 5 HHBDLO CC[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1OCC(=O)N(C)C ZINC000508976355 1003448747 /nfs/dbraw/zinc/44/87/47/1003448747.db2.gz IQMMEBSCLSHWQM-SFHVURJKSA-N 1 2 407.417 3.581 20 5 HHBDLO O=[N+]([O-])c1cccc2ncnc(N3CC[NH+](Cc4cccc(C(F)(F)F)c4)CC3)c21 ZINC000509038815 1003509211 /nfs/dbraw/zinc/50/92/11/1003509211.db2.gz OCCWCULFGYMGHQ-UHFFFAOYSA-N 1 2 417.391 3.879 20 5 HHBDLO CCOc1ccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1[N+](=O)[O-] ZINC000500838261 1003992805 /nfs/dbraw/zinc/99/28/05/1003992805.db2.gz BOXHHNQESIAPAS-IBGZPJMESA-N 1 2 410.430 3.617 20 5 HHBDLO CCOc1ccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1[N+](=O)[O-] ZINC000500838261 1003992810 /nfs/dbraw/zinc/99/28/10/1003992810.db2.gz BOXHHNQESIAPAS-IBGZPJMESA-N 1 2 410.430 3.617 20 5 HHBDLO COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000510195714 1004389402 /nfs/dbraw/zinc/38/94/02/1004389402.db2.gz UXBHXJYAIKDSLS-OXJNMPFZSA-N 1 2 418.515 3.850 20 5 HHBDLO COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000510195714 1004389412 /nfs/dbraw/zinc/38/94/12/1004389412.db2.gz UXBHXJYAIKDSLS-OXJNMPFZSA-N 1 2 418.515 3.850 20 5 HHBDLO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000510195720 1004389688 /nfs/dbraw/zinc/38/96/88/1004389688.db2.gz UXBHXJYAIKDSLS-UZLBHIALSA-N 1 2 418.515 3.850 20 5 HHBDLO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000510195720 1004389697 /nfs/dbraw/zinc/38/96/97/1004389697.db2.gz UXBHXJYAIKDSLS-UZLBHIALSA-N 1 2 418.515 3.850 20 5 HHBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)n2)C1 ZINC000510228898 1004410016 /nfs/dbraw/zinc/41/00/16/1004410016.db2.gz FKYFDVUGOZZUTP-HNNXBMFYSA-N 1 2 417.535 3.990 20 5 HHBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)n2)C1 ZINC000510228898 1004410027 /nfs/dbraw/zinc/41/00/27/1004410027.db2.gz FKYFDVUGOZZUTP-HNNXBMFYSA-N 1 2 417.535 3.990 20 5 HHBDLO Cc1c(Br)cc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000510464820 1004584969 /nfs/dbraw/zinc/58/49/69/1004584969.db2.gz MGLLNFOUAXVELZ-BZNIZROVSA-N 1 2 407.268 3.586 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510612962 1004754268 /nfs/dbraw/zinc/75/42/68/1004754268.db2.gz FPRAGQFYTXBCJP-FQEVSTJZSA-N 1 2 411.502 3.707 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510612962 1004754278 /nfs/dbraw/zinc/75/42/78/1004754278.db2.gz FPRAGQFYTXBCJP-FQEVSTJZSA-N 1 2 411.502 3.707 20 5 HHBDLO O=[N+]([O-])c1ccc(CN(CCn2cc[nH+]c2)Cc2ccc(Br)o2)c(F)c1 ZINC000510949030 1004948960 /nfs/dbraw/zinc/94/89/60/1004948960.db2.gz GDGKMQRKWZGJLB-UHFFFAOYSA-N 1 2 423.242 3.988 20 5 HHBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)CCc3ccccc3[N+](=O)[O-])n2)C1 ZINC000513607080 1005046554 /nfs/dbraw/zinc/04/65/54/1005046554.db2.gz ZTYNDDULRUASKW-OAHLLOKOSA-N 1 2 417.535 3.990 20 5 HHBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)CCc3ccccc3[N+](=O)[O-])n2)C1 ZINC000513607080 1005046562 /nfs/dbraw/zinc/04/65/62/1005046562.db2.gz ZTYNDDULRUASKW-OAHLLOKOSA-N 1 2 417.535 3.990 20 5 HHBDLO C[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2sccc2C1 ZINC000513684884 1005081844 /nfs/dbraw/zinc/08/18/44/1005081844.db2.gz VUXJYPAHCCJVJB-FOIQADDNSA-N 1 2 411.531 3.516 20 5 HHBDLO C[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2sccc2C1 ZINC000513684884 1005081851 /nfs/dbraw/zinc/08/18/51/1005081851.db2.gz VUXJYPAHCCJVJB-FOIQADDNSA-N 1 2 411.531 3.516 20 5 HHBDLO C[C@](CO)([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(Br)cc1 ZINC000511547231 1005219186 /nfs/dbraw/zinc/21/91/86/1005219186.db2.gz SSWQGQKGGHRYIO-MRXNPFEDSA-N 1 2 401.207 3.633 20 5 HHBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513996875 1005220250 /nfs/dbraw/zinc/22/02/50/1005220250.db2.gz MQFNUAPXVZIZEP-OXJNMPFZSA-N 1 2 401.894 3.990 20 5 HHBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513997842 1005220800 /nfs/dbraw/zinc/22/08/00/1005220800.db2.gz WMWQSNQFOQWZMX-BLLLJJGKSA-N 1 2 424.284 3.842 20 5 HHBDLO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513999023 1005221045 /nfs/dbraw/zinc/22/10/45/1005221045.db2.gz IOBISBUKRNZMHT-SFHVURJKSA-N 1 2 414.893 3.635 20 5 HHBDLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000503101216 1005347706 /nfs/dbraw/zinc/34/77/06/1005347706.db2.gz HMJDISNAKHZROF-INIZCTEOSA-N 1 2 410.879 3.659 20 5 HHBDLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000503101216 1005347710 /nfs/dbraw/zinc/34/77/10/1005347710.db2.gz HMJDISNAKHZROF-INIZCTEOSA-N 1 2 410.879 3.659 20 5 HHBDLO O=c1ccccn1C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000503263329 1005379869 /nfs/dbraw/zinc/37/98/69/1005379869.db2.gz MLQJZIHFSJDZRF-NRFANRHFSA-N 1 2 416.437 3.943 20 5 HHBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000534392097 1006367081 /nfs/dbraw/zinc/36/70/81/1006367081.db2.gz MXSOMUBVHUTZKO-AEFFLSMTSA-N 1 2 407.829 3.571 20 5 HHBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000534392097 1006367094 /nfs/dbraw/zinc/36/70/94/1006367094.db2.gz MXSOMUBVHUTZKO-AEFFLSMTSA-N 1 2 407.829 3.571 20 5 HHBDLO C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000531859022 1006481048 /nfs/dbraw/zinc/48/10/48/1006481048.db2.gz VQEMDAXIXJJGKI-QWHCGFSZSA-N 1 2 414.853 3.507 20 5 HHBDLO CCOc1ccc(C[NH+]2CCN(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000515904576 1006751036 /nfs/dbraw/zinc/75/10/36/1006751036.db2.gz HOSLZAINHLFFDZ-QGZVFWFLSA-N 1 2 412.490 3.582 20 5 HHBDLO COc1ccccc1C[NH+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000534856575 1006877504 /nfs/dbraw/zinc/87/75/04/1006877504.db2.gz PXEFMBPJHAAXDV-UHFFFAOYSA-N 1 2 408.458 3.576 20 5 HHBDLO COc1cc(C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)ccc1O ZINC000534865560 1006891750 /nfs/dbraw/zinc/89/17/50/1006891750.db2.gz XQOUMJVGBHXYBP-UHFFFAOYSA-N 1 2 405.838 3.566 20 5 HHBDLO COc1cc(C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)ccc1O ZINC000534865560 1006891765 /nfs/dbraw/zinc/89/17/65/1006891765.db2.gz XQOUMJVGBHXYBP-UHFFFAOYSA-N 1 2 405.838 3.566 20 5 HHBDLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000538739619 1007022602 /nfs/dbraw/zinc/02/26/02/1007022602.db2.gz ISRXEOPAFNBZOL-INIZCTEOSA-N 1 2 409.515 3.992 20 5 HHBDLO CC[N@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)[C@@H](C)CS(=O)(=O)CC ZINC000538740216 1007023453 /nfs/dbraw/zinc/02/34/53/1007023453.db2.gz UXVHPBKIAGAKJI-AWEZNQCLSA-N 1 2 410.492 3.509 20 5 HHBDLO CC[N@@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)[C@@H](C)CS(=O)(=O)CC ZINC000538740216 1007023468 /nfs/dbraw/zinc/02/34/68/1007023468.db2.gz UXVHPBKIAGAKJI-AWEZNQCLSA-N 1 2 410.492 3.509 20 5 HHBDLO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccsc1 ZINC000516343709 1007030358 /nfs/dbraw/zinc/03/03/58/1007030358.db2.gz RZXVANBXPIAHTM-HNNXBMFYSA-N 1 2 417.940 3.671 20 5 HHBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1N1CCCC1 ZINC000532746146 1007157343 /nfs/dbraw/zinc/15/73/43/1007157343.db2.gz YXOARMDLTDZBJU-UHFFFAOYSA-N 1 2 402.882 3.919 20 5 HHBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1N1CCCC1 ZINC000532746146 1007157349 /nfs/dbraw/zinc/15/73/49/1007157349.db2.gz YXOARMDLTDZBJU-UHFFFAOYSA-N 1 2 402.882 3.919 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535130776 1007168651 /nfs/dbraw/zinc/16/86/51/1007168651.db2.gz OGZGWWVZDSQTBO-JXFKEZNVSA-N 1 2 421.856 3.718 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535130776 1007168658 /nfs/dbraw/zinc/16/86/58/1007168658.db2.gz OGZGWWVZDSQTBO-JXFKEZNVSA-N 1 2 421.856 3.718 20 5 HHBDLO COc1ccc(OC2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000532919475 1007291686 /nfs/dbraw/zinc/29/16/86/1007291686.db2.gz CELARACLJHBWFE-INIZCTEOSA-N 1 2 413.474 3.782 20 5 HHBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H](C)O1 ZINC000535352102 1007408201 /nfs/dbraw/zinc/40/82/01/1007408201.db2.gz ZUAHTFSGQIQRGW-IYBDPMFKSA-N 1 2 422.485 3.867 20 5 HHBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H](C)O1 ZINC000535352102 1007408208 /nfs/dbraw/zinc/40/82/08/1007408208.db2.gz ZUAHTFSGQIQRGW-IYBDPMFKSA-N 1 2 422.485 3.867 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539125391 1007415937 /nfs/dbraw/zinc/41/59/37/1007415937.db2.gz JDYWLSMJTXASHV-HKUYNNGSSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539125391 1007415942 /nfs/dbraw/zinc/41/59/42/1007415942.db2.gz JDYWLSMJTXASHV-HKUYNNGSSA-N 1 2 421.856 3.961 20 5 HHBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000535432408 1007495280 /nfs/dbraw/zinc/49/52/80/1007495280.db2.gz TWQLWJYXOPSMFQ-SFTDATJTSA-N 1 2 405.458 3.562 20 5 HHBDLO COc1cccc(C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]2CCCO2)c1 ZINC000533247737 1007566409 /nfs/dbraw/zinc/56/64/09/1007566409.db2.gz ZZHPUWXZNDVQIX-HXUWFJFHSA-N 1 2 413.474 3.532 20 5 HHBDLO COc1cccc(C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]2CCCO2)c1 ZINC000533247737 1007566417 /nfs/dbraw/zinc/56/64/17/1007566417.db2.gz ZZHPUWXZNDVQIX-HXUWFJFHSA-N 1 2 413.474 3.532 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000533248458 1007567543 /nfs/dbraw/zinc/56/75/43/1007567543.db2.gz PONZLRQRWIACPU-MJGOQNOKSA-N 1 2 424.284 3.739 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000533248458 1007567553 /nfs/dbraw/zinc/56/75/53/1007567553.db2.gz PONZLRQRWIACPU-MJGOQNOKSA-N 1 2 424.284 3.739 20 5 HHBDLO COc1ccc(C[NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1[N+](=O)[O-] ZINC000517547377 1007762727 /nfs/dbraw/zinc/76/27/27/1007762727.db2.gz QCBGNFSGLNEIQM-UHFFFAOYSA-N 1 2 415.759 3.608 20 5 HHBDLO O=C(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000533516942 1007836189 /nfs/dbraw/zinc/83/61/89/1007836189.db2.gz VVYZEUYCFIAJRT-XXBNENTESA-N 1 2 423.517 3.524 20 5 HHBDLO O=C(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000533516942 1007836202 /nfs/dbraw/zinc/83/62/02/1007836202.db2.gz VVYZEUYCFIAJRT-XXBNENTESA-N 1 2 423.517 3.524 20 5 HHBDLO COc1ccc(CC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000533682240 1008003262 /nfs/dbraw/zinc/00/32/62/1008003262.db2.gz QLQRDUSBHJJGEL-OXJNMPFZSA-N 1 2 421.856 3.500 20 5 HHBDLO COc1ccc(CC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000533682240 1008003270 /nfs/dbraw/zinc/00/32/70/1008003270.db2.gz QLQRDUSBHJJGEL-OXJNMPFZSA-N 1 2 421.856 3.500 20 5 HHBDLO COc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000533682560 1008005568 /nfs/dbraw/zinc/00/55/68/1008005568.db2.gz IDCPSFODUPHXSS-MAUKXSAKSA-N 1 2 407.829 3.571 20 5 HHBDLO COc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000533682560 1008005573 /nfs/dbraw/zinc/00/55/73/1008005573.db2.gz IDCPSFODUPHXSS-MAUKXSAKSA-N 1 2 407.829 3.571 20 5 HHBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000539918896 1008184580 /nfs/dbraw/zinc/18/45/80/1008184580.db2.gz XVYVNABFQTYPIU-FXAWDEMLSA-N 1 2 403.429 3.973 20 5 HHBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000539918896 1008184582 /nfs/dbraw/zinc/18/45/82/1008184582.db2.gz XVYVNABFQTYPIU-FXAWDEMLSA-N 1 2 403.429 3.973 20 5 HHBDLO CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccn1 ZINC000518437974 1008305784 /nfs/dbraw/zinc/30/57/84/1008305784.db2.gz BBZVGLJWLHWYBI-MRXNPFEDSA-N 1 2 423.473 3.919 20 5 HHBDLO O=[N+]([O-])c1ccc(NCCCc2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)cc1 ZINC000545574953 1008675173 /nfs/dbraw/zinc/67/51/73/1008675173.db2.gz FQQFRHIGGOUYCP-UHFFFAOYSA-N 1 2 404.430 3.934 20 5 HHBDLO COc1cc(S(=O)(=O)Nc2cccc3c2C[N@H+](CCC(C)C)C3)ccc1[N+](=O)[O-] ZINC000543147637 1008721352 /nfs/dbraw/zinc/72/13/52/1008721352.db2.gz ZLWLVGWXXOAIGK-UHFFFAOYSA-N 1 2 419.503 3.766 20 5 HHBDLO COc1cc(S(=O)(=O)Nc2cccc3c2C[N@@H+](CCC(C)C)C3)ccc1[N+](=O)[O-] ZINC000543147637 1008721360 /nfs/dbraw/zinc/72/13/60/1008721360.db2.gz ZLWLVGWXXOAIGK-UHFFFAOYSA-N 1 2 419.503 3.766 20 5 HHBDLO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000543155415 1008729028 /nfs/dbraw/zinc/72/90/28/1008729028.db2.gz BKJPLYWQYYXBPI-UHFFFAOYSA-N 1 2 409.273 3.691 20 5 HHBDLO C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000520379892 1009516776 /nfs/dbraw/zinc/51/67/76/1009516776.db2.gz SXESIMJYTMVZLY-GDBMZVCRSA-N 1 2 418.444 3.898 20 5 HHBDLO C[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000520379892 1009516796 /nfs/dbraw/zinc/51/67/96/1009516796.db2.gz SXESIMJYTMVZLY-GDBMZVCRSA-N 1 2 418.444 3.898 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543953185 1009553644 /nfs/dbraw/zinc/55/36/44/1009553644.db2.gz AARVMEGPCPTODB-YLJYHZDGSA-N 1 2 407.392 3.506 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543953185 1009553659 /nfs/dbraw/zinc/55/36/59/1009553659.db2.gz AARVMEGPCPTODB-YLJYHZDGSA-N 1 2 407.392 3.506 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543953184 1009553914 /nfs/dbraw/zinc/55/39/14/1009553914.db2.gz AARVMEGPCPTODB-XLIONFOSSA-N 1 2 407.392 3.506 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543953184 1009553925 /nfs/dbraw/zinc/55/39/25/1009553925.db2.gz AARVMEGPCPTODB-XLIONFOSSA-N 1 2 407.392 3.506 20 5 HHBDLO CC(C)(C(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000546580648 1009604195 /nfs/dbraw/zinc/60/41/95/1009604195.db2.gz ZLQMOCDVICSJBB-UHFFFAOYSA-N 1 2 410.449 3.615 20 5 HHBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000544071654 1009675279 /nfs/dbraw/zinc/67/52/79/1009675279.db2.gz KGHVGAPYPWHZJF-UHFFFAOYSA-N 1 2 413.499 3.729 20 5 HHBDLO O=[N+]([O-])c1ccc(Cc2nc(-c3ccccc3C[NH+]3CCOCC3)no2)c(Cl)c1 ZINC000547004325 1009960420 /nfs/dbraw/zinc/96/04/20/1009960420.db2.gz KTYAKYMGHZLRJA-UHFFFAOYSA-N 1 2 414.849 3.721 20 5 HHBDLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000544420509 1010038943 /nfs/dbraw/zinc/03/89/43/1010038943.db2.gz HGOMGEBVFFWUIU-SNVBAGLBSA-N 1 2 424.383 3.871 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cccc(NC(=O)CCn3cc[nH+]c3)c2)n1 ZINC000547102266 1010053406 /nfs/dbraw/zinc/05/34/06/1010053406.db2.gz IXTFLIIHBAYPNF-UHFFFAOYSA-N 1 2 418.413 3.846 20 5 HHBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000521280006 1010274716 /nfs/dbraw/zinc/27/47/16/1010274716.db2.gz NVBUGFULRJGFOE-UHFFFAOYSA-N 1 2 415.247 3.781 20 5 HHBDLO O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4ccc(Cn5cc[nH+]c5)cc4)n3)c2c1 ZINC000545077546 1010598227 /nfs/dbraw/zinc/59/82/27/1010598227.db2.gz FJTLAOZRPDOJOE-UHFFFAOYSA-N 1 2 400.398 3.962 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541163958 1011830667 /nfs/dbraw/zinc/83/06/67/1011830667.db2.gz BCILWTIEFRDELD-FXAWDEMLSA-N 1 2 407.392 3.506 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541163958 1011830683 /nfs/dbraw/zinc/83/06/83/1011830683.db2.gz BCILWTIEFRDELD-FXAWDEMLSA-N 1 2 407.392 3.506 20 5 HHBDLO COc1cc(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000536709364 1011880691 /nfs/dbraw/zinc/88/06/91/1011880691.db2.gz CUOUIBQXSPSXAV-UHFFFAOYSA-N 1 2 415.273 3.913 20 5 HHBDLO COc1cc(C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000536709364 1011880714 /nfs/dbraw/zinc/88/07/14/1011880714.db2.gz CUOUIBQXSPSXAV-UHFFFAOYSA-N 1 2 415.273 3.913 20 5 HHBDLO CN(C)c1cc(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1 ZINC000552044842 1012064428 /nfs/dbraw/zinc/06/44/28/1012064428.db2.gz PLASRSIPMOBDCE-QFIPXVFZSA-N 1 2 416.485 3.822 20 5 HHBDLO Cn1cc(-c2ccccc2C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000552063926 1012081742 /nfs/dbraw/zinc/08/17/42/1012081742.db2.gz RTKOULBWDWUZBK-OAQYLSRUSA-N 1 2 402.458 3.608 20 5 HHBDLO COc1ccc2cc(C[NH+]3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)ccc2c1 ZINC000552073125 1012089698 /nfs/dbraw/zinc/08/96/98/1012089698.db2.gz QVVRYYSSQDNAEM-UHFFFAOYSA-N 1 2 405.454 3.715 20 5 HHBDLO COc1ccc(S(=O)(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)c([N+](=O)[O-])c1 ZINC000537031040 1012344360 /nfs/dbraw/zinc/34/43/60/1012344360.db2.gz UIYMMFUVMFPQHZ-UHFFFAOYSA-N 1 2 419.503 3.636 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000541645107 1012465401 /nfs/dbraw/zinc/46/54/01/1012465401.db2.gz AUPZAGFKJLPKGS-ZIAGYGMSSA-N 1 2 410.430 3.936 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000541645105 1012466221 /nfs/dbraw/zinc/46/62/21/1012466221.db2.gz AUPZAGFKJLPKGS-UONOGXRCSA-N 1 2 410.430 3.936 20 5 HHBDLO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(n4cc[nH+]c4)CC3)cc2[N+](=O)[O-])C1 ZINC000523833787 1012521229 /nfs/dbraw/zinc/52/12/29/1012521229.db2.gz JWILUWXCSOQSFC-IRXDYDNUSA-N 1 2 411.506 3.751 20 5 HHBDLO COc1cccc2c1CC[N@H+](Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])C2 ZINC000542012187 1012896532 /nfs/dbraw/zinc/89/65/32/1012896532.db2.gz PMQLPHAWKFBFSG-UHFFFAOYSA-N 1 2 408.401 3.814 20 5 HHBDLO COc1cccc2c1CC[N@@H+](Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])C2 ZINC000542012187 1012896548 /nfs/dbraw/zinc/89/65/48/1012896548.db2.gz PMQLPHAWKFBFSG-UHFFFAOYSA-N 1 2 408.401 3.814 20 5 HHBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000760623941 1072162938 /nfs/dbraw/zinc/16/29/38/1072162938.db2.gz SLKRBTAFBVFYAC-UHFFFAOYSA-N 1 2 413.522 3.896 20 5 HHBDLO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1cc(F)c(F)cc1Br)OCCO2 ZINC000586782836 1072438276 /nfs/dbraw/zinc/43/82/76/1072438276.db2.gz FDMROZLOUOHUBM-UHFFFAOYSA-N 1 2 415.190 3.697 20 5 HHBDLO O=c1c(Cl)c(NCc2ccc(-n3cc[nH+]c3)cc2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000301206517 970807920 /nfs/dbraw/zinc/80/79/20/970807920.db2.gz ZJACYXIRQNPANO-UHFFFAOYSA-N 1 2 422.832 3.592 20 5 HHBDLO Cc1cc([N@H+]2CCCC[C@H]2C)ccc1Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000301665041 971020742 /nfs/dbraw/zinc/02/07/42/971020742.db2.gz ZOLXBYFIWRJSAY-CQSZACIVSA-N 1 2 404.492 3.673 20 5 HHBDLO Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000301665041 971020750 /nfs/dbraw/zinc/02/07/50/971020750.db2.gz ZOLXBYFIWRJSAY-CQSZACIVSA-N 1 2 404.492 3.673 20 5 HHBDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)c2ccc(Cl)cc2)C1 ZINC000553116299 1013079523 /nfs/dbraw/zinc/07/95/23/1013079523.db2.gz SJIDUEAEVWSHNK-HOCLYGCPSA-N 1 2 419.894 3.737 20 5 HHBDLO C[N@H+]1CCO[C@H]([C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)c2ccc(Cl)cc2)C1 ZINC000553116299 1013079537 /nfs/dbraw/zinc/07/95/37/1013079537.db2.gz SJIDUEAEVWSHNK-HOCLYGCPSA-N 1 2 419.894 3.737 20 5 HHBDLO O=C(N[C@@H](c1nccs1)c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000303196637 971554735 /nfs/dbraw/zinc/55/47/35/971554735.db2.gz KWLXBFMKDRVMKT-GOSISDBHSA-N 1 2 405.439 3.756 20 5 HHBDLO COc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1[N+](=O)[O-] ZINC000303443579 971734774 /nfs/dbraw/zinc/73/47/74/971734774.db2.gz CKTKEYSNKDNSQT-INIZCTEOSA-N 1 2 421.856 3.790 20 5 HHBDLO COc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1[N+](=O)[O-] ZINC000303443579 971734780 /nfs/dbraw/zinc/73/47/80/971734780.db2.gz CKTKEYSNKDNSQT-INIZCTEOSA-N 1 2 421.856 3.790 20 5 HHBDLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000303723626 971977846 /nfs/dbraw/zinc/97/78/46/971977846.db2.gz BOHNSIOLDFOYPQ-HNNXBMFYSA-N 1 2 400.406 3.695 20 5 HHBDLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000303723626 971977852 /nfs/dbraw/zinc/97/78/52/971977852.db2.gz BOHNSIOLDFOYPQ-HNNXBMFYSA-N 1 2 400.406 3.695 20 5 HHBDLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000303755795 972007364 /nfs/dbraw/zinc/00/73/64/972007364.db2.gz MZRAWGKCTVICSZ-INIZCTEOSA-N 1 2 410.405 3.879 20 5 HHBDLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000303755795 972007369 /nfs/dbraw/zinc/00/73/69/972007369.db2.gz MZRAWGKCTVICSZ-INIZCTEOSA-N 1 2 410.405 3.879 20 5 HHBDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OC(F)F ZINC000007977077 961389522 /nfs/dbraw/zinc/38/95/22/961389522.db2.gz WOWFHDCYNXRYSR-UHFFFAOYSA-N 1 2 409.389 3.584 20 5 HHBDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OC(F)F ZINC000007977077 961389544 /nfs/dbraw/zinc/38/95/44/961389544.db2.gz WOWFHDCYNXRYSR-UHFFFAOYSA-N 1 2 409.389 3.584 20 5 HHBDLO COC(=O)c1cc(C)nc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000553509679 1013409426 /nfs/dbraw/zinc/40/94/26/1013409426.db2.gz FIAQSMZYTTWBOY-HZPDHXFCSA-N 1 2 422.844 3.735 20 5 HHBDLO COC(=O)c1cc(C)nc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000553509679 1013409430 /nfs/dbraw/zinc/40/94/30/1013409430.db2.gz FIAQSMZYTTWBOY-HZPDHXFCSA-N 1 2 422.844 3.735 20 5 HHBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000022289150 963624377 /nfs/dbraw/zinc/62/43/77/963624377.db2.gz ZSYNAEMZYZFISA-UHFFFAOYSA-N 1 2 415.519 3.890 20 5 HHBDLO O=[N+]([O-])c1ccc(Sc2nnc(C[NH+]3CCCC3)n2-c2ccc(Cl)cc2)nc1 ZINC000023616291 963862705 /nfs/dbraw/zinc/86/27/05/963862705.db2.gz MRRWGTFHBJURLY-UHFFFAOYSA-N 1 2 416.894 3.971 20 5 HHBDLO O=[N+]([O-])c1cc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c2c(c1)COCO2 ZINC000050231530 964291325 /nfs/dbraw/zinc/29/13/25/964291325.db2.gz KGERYCSOBWTWTP-HXUWFJFHSA-N 1 2 402.422 3.782 20 5 HHBDLO O=[N+]([O-])c1cc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c2c(c1)COCO2 ZINC000050231530 964291336 /nfs/dbraw/zinc/29/13/36/964291336.db2.gz KGERYCSOBWTWTP-HXUWFJFHSA-N 1 2 402.422 3.782 20 5 HHBDLO O=[N+]([O-])c1cc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c2c(c1)COCO2 ZINC000050231529 964291387 /nfs/dbraw/zinc/29/13/87/964291387.db2.gz KGERYCSOBWTWTP-FQEVSTJZSA-N 1 2 402.422 3.782 20 5 HHBDLO O=[N+]([O-])c1cc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c2c(c1)COCO2 ZINC000050231529 964291394 /nfs/dbraw/zinc/29/13/94/964291394.db2.gz KGERYCSOBWTWTP-FQEVSTJZSA-N 1 2 402.422 3.782 20 5 HHBDLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 ZINC000542580580 1013521513 /nfs/dbraw/zinc/52/15/13/1013521513.db2.gz YOWPXQYFRVHFFG-LLVKDONJSA-N 1 2 403.489 3.773 20 5 HHBDLO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)cccc1[N+](=O)[O-] ZINC000542622469 1013558166 /nfs/dbraw/zinc/55/81/66/1013558166.db2.gz MGLJBTCTCJHCOU-HNNXBMFYSA-N 1 2 409.446 3.556 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000029685072 965458009 /nfs/dbraw/zinc/45/80/09/965458009.db2.gz HHIYLAOHLJNDDW-MRXNPFEDSA-N 1 2 416.909 3.874 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])c1 ZINC000029825027 965514602 /nfs/dbraw/zinc/51/46/02/965514602.db2.gz IVZWQJVTLASVQD-HNNXBMFYSA-N 1 2 424.457 3.953 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])c1 ZINC000029825027 965514607 /nfs/dbraw/zinc/51/46/07/965514607.db2.gz IVZWQJVTLASVQD-HNNXBMFYSA-N 1 2 424.457 3.953 20 5 HHBDLO Cc1csc(Sc2ccc(C(=O)N[C@H](C)Cn3cc[nH+]c3)cc2[N+](=O)[O-])n1 ZINC000058296515 965679305 /nfs/dbraw/zinc/67/93/05/965679305.db2.gz NJMKALLPSIGTFQ-LLVKDONJSA-N 1 2 403.489 3.526 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538029023 1013600854 /nfs/dbraw/zinc/60/08/54/1013600854.db2.gz NOJRBCPXIDLSAC-APWZRJJASA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538029023 1013600857 /nfs/dbraw/zinc/60/08/57/1013600857.db2.gz NOJRBCPXIDLSAC-APWZRJJASA-N 1 2 421.856 3.961 20 5 HHBDLO CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000030911367 965829729 /nfs/dbraw/zinc/82/97/29/965829729.db2.gz UCLHBWIYGCYNNQ-UHFFFAOYSA-N 1 2 410.518 3.544 20 5 HHBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[NH+](CCc2cccs2)CC1 ZINC000055644727 965988291 /nfs/dbraw/zinc/98/82/91/965988291.db2.gz KXVPBBVPCIKTBC-UHFFFAOYSA-N 1 2 401.513 3.872 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031894112 966148212 /nfs/dbraw/zinc/14/82/12/966148212.db2.gz PUBJWDTUQHZRPG-KRWDZBQOSA-N 1 2 421.856 3.963 20 5 HHBDLO O=C(NCc1csc(Br)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032251029 966207116 /nfs/dbraw/zinc/20/71/16/966207116.db2.gz VSXZALBGDXBYSE-UHFFFAOYSA-N 1 2 407.249 3.535 20 5 HHBDLO CN(Cc1ccc(Br)s1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032488687 966271830 /nfs/dbraw/zinc/27/18/30/966271830.db2.gz OOFLNKKRKFAIIN-UHFFFAOYSA-N 1 2 421.276 3.877 20 5 HHBDLO Cc1c(NC(=O)[C@H](C)N2CC[NH+](C/C=C/c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000042287423 966767983 /nfs/dbraw/zinc/76/79/83/966767983.db2.gz QJQSSVSCRYTWAS-VQFGERMISA-N 1 2 408.502 3.561 20 5 HHBDLO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)[NH+]2CCOCC2)cc1 ZINC000046230328 967703039 /nfs/dbraw/zinc/70/30/39/967703039.db2.gz CVOQEYASHQWPLP-JOCHJYFZSA-N 1 2 408.458 3.637 20 5 HHBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000046341740 967752632 /nfs/dbraw/zinc/75/26/32/967752632.db2.gz NGWNJEBMAWWYOO-IYBDPMFKSA-N 1 2 415.515 3.935 20 5 HHBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000046341740 967752638 /nfs/dbraw/zinc/75/26/38/967752638.db2.gz NGWNJEBMAWWYOO-IYBDPMFKSA-N 1 2 415.515 3.935 20 5 HHBDLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000046780762 967964268 /nfs/dbraw/zinc/96/42/68/967964268.db2.gz OPVVQIQPQHQZKP-UHFFFAOYSA-N 1 2 409.486 3.769 20 5 HHBDLO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000047123264 968059509 /nfs/dbraw/zinc/05/95/09/968059509.db2.gz SKZKMDFLTWTYDE-UHFFFAOYSA-N 1 2 407.430 3.936 20 5 HHBDLO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000554044483 1013771496 /nfs/dbraw/zinc/77/14/96/1013771496.db2.gz RFKRAZRSNBGXRS-NVXWUHKLSA-N 1 2 423.876 3.627 20 5 HHBDLO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000554044483 1013771501 /nfs/dbraw/zinc/77/15/01/1013771501.db2.gz RFKRAZRSNBGXRS-NVXWUHKLSA-N 1 2 423.876 3.627 20 5 HHBDLO O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000538263442 1013804778 /nfs/dbraw/zinc/80/47/78/1013804778.db2.gz VDWSRAUSQHRDJO-LPHOPBHVSA-N 1 2 412.833 3.694 20 5 HHBDLO O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000071950680 968905106 /nfs/dbraw/zinc/90/51/06/968905106.db2.gz GAVCJBQYHSDPJO-UHFFFAOYSA-N 1 2 424.526 3.915 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000554303616 1013902088 /nfs/dbraw/zinc/90/20/88/1013902088.db2.gz CUWSIDRXIDDZMO-OAHLLOKOSA-N 1 2 412.494 3.558 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000554303616 1013902099 /nfs/dbraw/zinc/90/20/99/1013902099.db2.gz CUWSIDRXIDDZMO-OAHLLOKOSA-N 1 2 412.494 3.558 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000215698742 970052030 /nfs/dbraw/zinc/05/20/30/970052030.db2.gz GDUIADVQGKQIBA-MRXNPFEDSA-N 1 2 412.471 3.663 20 5 HHBDLO COc1ccc(-c2ccc(C[NH2+]Cc3nncn3-c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000237418920 970281573 /nfs/dbraw/zinc/28/15/73/970281573.db2.gz KKVDKSWRJYFCPK-UHFFFAOYSA-N 1 2 405.414 3.734 20 5 HHBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409785223 973262975 /nfs/dbraw/zinc/26/29/75/973262975.db2.gz QSGSNNFJEHYZNT-HNNXBMFYSA-N 1 2 417.897 3.870 20 5 HHBDLO CSc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1[N+](=O)[O-] ZINC000410324394 973877387 /nfs/dbraw/zinc/87/73/87/973877387.db2.gz JPBVINSGFBVOAK-OAHLLOKOSA-N 1 2 400.504 3.869 20 5 HHBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000427448359 975123524 /nfs/dbraw/zinc/12/35/24/975123524.db2.gz HXCYKSLHQGNFKQ-SFHVURJKSA-N 1 2 420.469 3.927 20 5 HHBDLO Cc1ccc(Sc2ccc(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)cc2[N+](=O)[O-])cc1 ZINC000428363622 975681448 /nfs/dbraw/zinc/68/14/48/975681448.db2.gz ZNOGZGOSRSJQBC-MRXNPFEDSA-N 1 2 408.483 3.996 20 5 HHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000429015372 976297092 /nfs/dbraw/zinc/29/70/92/976297092.db2.gz XZEZZSRZMDUOSK-AWEZNQCLSA-N 1 2 403.635 3.973 20 5 HHBDLO CCCOc1cc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])cc1OCCC ZINC000429265439 976553349 /nfs/dbraw/zinc/55/33/49/976553349.db2.gz PTPCYCYZYQBOMV-AWEZNQCLSA-N 1 2 417.466 3.505 20 5 HHBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000430437941 977549488 /nfs/dbraw/zinc/54/94/88/977549488.db2.gz WMXPVJDVWYTOMH-UHFFFAOYSA-N 1 2 422.435 3.765 20 5 HHBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000433044061 979050739 /nfs/dbraw/zinc/05/07/39/979050739.db2.gz HRUJFCNFNKZCMD-HNNXBMFYSA-N 1 2 417.893 3.601 20 5 HHBDLO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000434686464 980338754 /nfs/dbraw/zinc/33/87/54/980338754.db2.gz TWZGJISWVPCPBN-UHFFFAOYSA-N 1 2 410.405 3.879 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000434781378 980395422 /nfs/dbraw/zinc/39/54/22/980395422.db2.gz FMGZGCQBFXMYFV-HKUYNNGSSA-N 1 2 424.284 3.739 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000434781378 980395428 /nfs/dbraw/zinc/39/54/28/980395428.db2.gz FMGZGCQBFXMYFV-HKUYNNGSSA-N 1 2 424.284 3.739 20 5 HHBDLO COc1cccc(C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]2CCCO2)c1 ZINC000434832394 980430251 /nfs/dbraw/zinc/43/02/51/980430251.db2.gz DRGOSYJYPQKGIH-HXUWFJFHSA-N 1 2 413.474 3.532 20 5 HHBDLO COc1cccc(C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]2CCCO2)c1 ZINC000434832394 980430252 /nfs/dbraw/zinc/43/02/52/980430252.db2.gz DRGOSYJYPQKGIH-HXUWFJFHSA-N 1 2 413.474 3.532 20 5 HHBDLO Cc1c(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435328599 980787331 /nfs/dbraw/zinc/78/73/31/980787331.db2.gz LYIRBUCYDFLRDK-CQSZACIVSA-N 1 2 421.251 3.746 20 5 HHBDLO Cc1c(NC(=O)NCCCNc2cccc[nH+]2)cc(Br)cc1[N+](=O)[O-] ZINC000435330958 980789450 /nfs/dbraw/zinc/78/94/50/980789450.db2.gz XQEWLDZCMVDLPT-UHFFFAOYSA-N 1 2 408.256 3.684 20 5 HHBDLO C[NH+](C)[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccco1 ZINC000435815401 981042940 /nfs/dbraw/zinc/04/29/40/981042940.db2.gz FFIPTDHQCLKYAN-QGZVFWFLSA-N 1 2 411.408 3.585 20 5 HHBDLO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435827809 981049106 /nfs/dbraw/zinc/04/91/06/981049106.db2.gz SZNVBUKFGISEMB-LJQANCHMSA-N 1 2 419.456 3.980 20 5 HHBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435874909 981072599 /nfs/dbraw/zinc/07/25/99/981072599.db2.gz OUQQFIDQWANFSY-UHFFFAOYSA-N 1 2 408.461 3.856 20 5 HHBDLO Cc1ccc([C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@@H](C)S(C)(=O)=O)cc1 ZINC000435888463 981078602 /nfs/dbraw/zinc/07/86/02/981078602.db2.gz NHZDQRPPEMEFMQ-IERDGZPVSA-N 1 2 420.531 3.954 20 5 HHBDLO CCOc1cc(C[NH2+][C@@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000435903745 981084267 /nfs/dbraw/zinc/08/42/67/981084267.db2.gz VWJABKZRBIVYPA-MGPUTAFESA-N 1 2 406.504 3.566 20 5 HHBDLO CCOc1cc(C[NH2+][C@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000435903749 981084409 /nfs/dbraw/zinc/08/44/09/981084409.db2.gz VWJABKZRBIVYPA-YWZLYKJASA-N 1 2 406.504 3.566 20 5 HHBDLO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435919942 981092436 /nfs/dbraw/zinc/09/24/36/981092436.db2.gz DGCDALFZUVQUAW-UHFFFAOYSA-N 1 2 415.468 3.609 20 5 HHBDLO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435919942 981092441 /nfs/dbraw/zinc/09/24/41/981092441.db2.gz DGCDALFZUVQUAW-UHFFFAOYSA-N 1 2 415.468 3.609 20 5 HHBDLO C[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436893101 981603903 /nfs/dbraw/zinc/60/39/03/981603903.db2.gz NQPUZKRGOZNJJB-XIKOKIGWSA-N 1 2 407.829 3.516 20 5 HHBDLO C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436893101 981603905 /nfs/dbraw/zinc/60/39/05/981603905.db2.gz NQPUZKRGOZNJJB-XIKOKIGWSA-N 1 2 407.829 3.516 20 5 HHBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437158994 981808191 /nfs/dbraw/zinc/80/81/91/981808191.db2.gz CARXSDNXNPIQLZ-UHFFFAOYSA-N 1 2 408.311 3.868 20 5 HHBDLO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CCn2c[nH+]cc2C1 ZINC000461196965 982913262 /nfs/dbraw/zinc/91/32/62/982913262.db2.gz OUKHERHEHWDWIN-UHFFFAOYSA-N 1 2 411.849 3.713 20 5 HHBDLO CCOc1cc(N2CCC[N@H+](Cc3csc([C@@H](C)OC)n3)CC2)ccc1[N+](=O)[O-] ZINC000439594814 983464893 /nfs/dbraw/zinc/46/48/93/983464893.db2.gz LIDMUSBFAWMBHK-OAHLLOKOSA-N 1 2 420.535 3.870 20 5 HHBDLO CCOc1cc(N2CCC[N@@H+](Cc3csc([C@@H](C)OC)n3)CC2)ccc1[N+](=O)[O-] ZINC000439594814 983464894 /nfs/dbraw/zinc/46/48/94/983464894.db2.gz LIDMUSBFAWMBHK-OAHLLOKOSA-N 1 2 420.535 3.870 20 5 HHBDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000439780459 983536225 /nfs/dbraw/zinc/53/62/25/983536225.db2.gz IWJXMRJHNRHRTP-KSSFIOAISA-N 1 2 402.520 3.732 20 5 HHBDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000439780459 983536228 /nfs/dbraw/zinc/53/62/28/983536228.db2.gz IWJXMRJHNRHRTP-KSSFIOAISA-N 1 2 402.520 3.732 20 5 HHBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3csc(CCc4ccccc4)n3)C2)nc1 ZINC000440358705 983731823 /nfs/dbraw/zinc/73/18/23/983731823.db2.gz NUCHHVFDSZOWKV-KRWDZBQOSA-N 1 2 409.515 3.918 20 5 HHBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3csc(CCc4ccccc4)n3)C2)nc1 ZINC000440358705 983731828 /nfs/dbraw/zinc/73/18/28/983731828.db2.gz NUCHHVFDSZOWKV-KRWDZBQOSA-N 1 2 409.515 3.918 20 5 HHBDLO CNc1c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000462781613 985716522 /nfs/dbraw/zinc/71/65/22/985716522.db2.gz YXKTUPLGDDGTGW-YJBOKZPZSA-N 1 2 406.845 3.604 20 5 HHBDLO CNc1c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000462781613 985716535 /nfs/dbraw/zinc/71/65/35/985716535.db2.gz YXKTUPLGDDGTGW-YJBOKZPZSA-N 1 2 406.845 3.604 20 5 HHBDLO C[C@@H](c1ccsc1)N1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000463057355 986015310 /nfs/dbraw/zinc/01/53/10/986015310.db2.gz HZJKOJKOXVLZGK-INIZCTEOSA-N 1 2 411.531 3.936 20 5 HHBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000463095806 986054063 /nfs/dbraw/zinc/05/40/63/986054063.db2.gz YUQONJUCTOUXJK-CQSZACIVSA-N 1 2 400.504 3.750 20 5 HHBDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000444169406 986344441 /nfs/dbraw/zinc/34/44/41/986344441.db2.gz RMFUCJGNYBLDOW-INIZCTEOSA-N 1 2 416.909 3.590 20 5 HHBDLO C[C@H]1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C[C@H]1n1cc[nH+]c1 ZINC000444224441 986410929 /nfs/dbraw/zinc/41/09/29/986410929.db2.gz KRUZXJUIUVWFOB-IFXJQAMLSA-N 1 2 404.445 3.740 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000444345563 986526881 /nfs/dbraw/zinc/52/68/81/986526881.db2.gz SIBNVBXFFNHUOV-SJLPKXTDSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000444345563 986526887 /nfs/dbraw/zinc/52/68/87/986526887.db2.gz SIBNVBXFFNHUOV-SJLPKXTDSA-N 1 2 421.856 3.961 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000469345379 987050226 /nfs/dbraw/zinc/05/02/26/987050226.db2.gz PYTBAYSSHLCEHS-IBGZPJMESA-N 1 2 412.833 3.648 20 5 HHBDLO CC1CCN(c2ccc(C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)cc2[N+](=O)[O-])CC1 ZINC000469433641 987120963 /nfs/dbraw/zinc/12/09/63/987120963.db2.gz GVEMHAOMEIDEON-IBGZPJMESA-N 1 2 410.474 3.520 20 5 HHBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000470179078 988095253 /nfs/dbraw/zinc/09/52/53/988095253.db2.gz RZBZOXYCVTXCKK-NBVRZTHBSA-N 1 2 422.529 3.871 20 5 HHBDLO COc1ccc(CCC(=O)N2CC[NH+](C/C(C)=C\c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000470184287 988100134 /nfs/dbraw/zinc/10/01/34/988100134.db2.gz REFAYOIIIWALJC-MNDPQUGUSA-N 1 2 423.513 3.784 20 5 HHBDLO COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000464177733 988298873 /nfs/dbraw/zinc/29/88/73/988298873.db2.gz QNMHSGPDXUZOFK-QGZVFWFLSA-N 1 2 406.442 3.639 20 5 HHBDLO COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000464177732 988299109 /nfs/dbraw/zinc/29/91/09/988299109.db2.gz QNMHSGPDXUZOFK-KRWDZBQOSA-N 1 2 406.442 3.639 20 5 HHBDLO CC(C)CCSc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000464319183 988451154 /nfs/dbraw/zinc/45/11/54/988451154.db2.gz ZBQGWECVYUQXER-SFHVURJKSA-N 1 2 421.563 3.670 20 5 HHBDLO COCCn1c2ccccc2[nH+]c1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000464348363 988497114 /nfs/dbraw/zinc/49/71/14/988497114.db2.gz AMUQRPOIYMVWBF-UHFFFAOYSA-N 1 2 409.471 4.327 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000471081560 989176820 /nfs/dbraw/zinc/17/68/20/989176820.db2.gz QAZLJCTVGGZQRB-QFIPXVFZSA-N 1 2 406.442 3.625 20 5 HHBDLO Cc1ccc2[nH+]c(CSCC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)cn2c1 ZINC000466320843 991575385 /nfs/dbraw/zinc/57/53/85/991575385.db2.gz PSVKYGTXBDKQNL-UHFFFAOYSA-N 1 2 404.879 3.754 20 5 HHBDLO O=C(NCCC1CC1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000466418622 991710249 /nfs/dbraw/zinc/71/02/49/991710249.db2.gz ZDDVOGLBWOCJDR-UHFFFAOYSA-N 1 2 414.531 3.951 20 5 HHBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000481354744 994179191 /nfs/dbraw/zinc/17/91/91/994179191.db2.gz NESSWRSPOUMYHV-AWEZNQCLSA-N 1 2 413.865 3.875 20 5 HHBDLO C[NH+](C)Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1Cl ZINC000481893038 994762604 /nfs/dbraw/zinc/76/26/04/994762604.db2.gz SKFRINHEMTZOMT-UHFFFAOYSA-N 1 2 420.878 3.659 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475204980 995995465 /nfs/dbraw/zinc/99/54/65/995995465.db2.gz ILSDKIHTNBBVMZ-UHFFFAOYSA-N 1 2 409.368 3.931 20 5 HHBDLO COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1SC ZINC000483357398 996122521 /nfs/dbraw/zinc/12/25/21/996122521.db2.gz VBDRWTXZHJJQLG-UHFFFAOYSA-N 1 2 416.434 3.580 20 5 HHBDLO CCOc1cc(N2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000475500775 996183652 /nfs/dbraw/zinc/18/36/52/996183652.db2.gz BDTWDSDBQPHSDE-UHFFFAOYSA-N 1 2 407.474 3.706 20 5 HHBDLO CCn1cc(C[N@H+](CCO)Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cn1 ZINC000475514729 996194431 /nfs/dbraw/zinc/19/44/31/996194431.db2.gz SEGNGGNHNVMQKM-UHFFFAOYSA-N 1 2 409.490 3.574 20 5 HHBDLO CCn1cc(C[N@@H+](CCO)Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cn1 ZINC000475514729 996194437 /nfs/dbraw/zinc/19/44/37/996194437.db2.gz SEGNGGNHNVMQKM-UHFFFAOYSA-N 1 2 409.490 3.574 20 5 HHBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000475724801 996325441 /nfs/dbraw/zinc/32/54/41/996325441.db2.gz WFVBXXPEKGXHNM-UHFFFAOYSA-N 1 2 401.426 3.785 20 5 HHBDLO COc1c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000476463659 996938234 /nfs/dbraw/zinc/93/82/34/996938234.db2.gz SJRLJULGDPBZNG-DOTOQJQBSA-N 1 2 407.829 3.571 20 5 HHBDLO COc1c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000476463659 996938248 /nfs/dbraw/zinc/93/82/48/996938248.db2.gz SJRLJULGDPBZNG-DOTOQJQBSA-N 1 2 407.829 3.571 20 5 HHBDLO O=C(C[NH+]1CCC(c2c(F)cccc2F)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000485885727 998340723 /nfs/dbraw/zinc/34/07/23/998340723.db2.gz WHZNLQUIBKQWPD-UHFFFAOYSA-N 1 2 401.413 3.642 20 5 HHBDLO COCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000477879673 998626866 /nfs/dbraw/zinc/62/68/66/998626866.db2.gz OGYRFPVMETZZCQ-UHFFFAOYSA-N 1 2 423.454 3.683 20 5 HHBDLO CCc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)CCC2 ZINC000478275918 998858927 /nfs/dbraw/zinc/85/89/27/998858927.db2.gz FUNHUKBSLJFCBB-MRXNPFEDSA-N 1 2 411.487 3.949 20 5 HHBDLO CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000479655459 999522819 /nfs/dbraw/zinc/52/28/19/999522819.db2.gz MHFCZUDZUKVKIL-DJJJIMSYSA-N 1 2 414.849 3.940 20 5 HHBDLO Cc1ccc([C@@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000488796431 999611212 /nfs/dbraw/zinc/61/12/12/999611212.db2.gz KVSHARFKKSMUQU-GOSISDBHSA-N 1 2 423.922 3.672 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000480002563 999682217 /nfs/dbraw/zinc/68/22/17/999682217.db2.gz SQZQIDVBQRKITF-SFHVURJKSA-N 1 2 412.490 3.658 20 5 HHBDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000490067631 999888254 /nfs/dbraw/zinc/88/82/54/999888254.db2.gz OTIHKTPNRSIWAX-SFHVURJKSA-N 1 2 407.854 3.515 20 5 HHBDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000490067631 999888255 /nfs/dbraw/zinc/88/82/55/999888255.db2.gz OTIHKTPNRSIWAX-SFHVURJKSA-N 1 2 407.854 3.515 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490230269 999916560 /nfs/dbraw/zinc/91/65/60/999916560.db2.gz NEUFJTXWPCLCBF-OALUTQOASA-N 1 2 418.444 3.853 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490230269 999916562 /nfs/dbraw/zinc/91/65/62/999916562.db2.gz NEUFJTXWPCLCBF-OALUTQOASA-N 1 2 418.444 3.853 20 5 HHBDLO COc1cc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(OC)cc1Cl ZINC000490793789 1000006983 /nfs/dbraw/zinc/00/69/83/1000006983.db2.gz MHALZHINTLENPT-UHFFFAOYSA-N 1 2 419.865 3.869 20 5 HHBDLO COc1cc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(OC)cc1Cl ZINC000490793789 1000006985 /nfs/dbraw/zinc/00/69/85/1000006985.db2.gz MHALZHINTLENPT-UHFFFAOYSA-N 1 2 419.865 3.869 20 5 HHBDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490847497 1000015488 /nfs/dbraw/zinc/01/54/88/1000015488.db2.gz USMSTVQNEPAZGS-CQSZACIVSA-N 1 2 403.429 3.585 20 5 HHBDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490847497 1000015490 /nfs/dbraw/zinc/01/54/90/1000015490.db2.gz USMSTVQNEPAZGS-CQSZACIVSA-N 1 2 403.429 3.585 20 5 HHBDLO COc1cc(C[NH+]2CCN(c3ccccc3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491899735 1000099773 /nfs/dbraw/zinc/09/97/73/1000099773.db2.gz AHNLVAHBFOQVDD-UHFFFAOYSA-N 1 2 407.417 3.570 20 5 HHBDLO COc1ccc([C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C(F)(F)F)cc1 ZINC000505395226 1000745820 /nfs/dbraw/zinc/74/58/20/1000745820.db2.gz JOCUZRUFEPXHJU-KRWDZBQOSA-N 1 2 420.347 3.823 20 5 HHBDLO O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000505548368 1000893912 /nfs/dbraw/zinc/89/39/12/1000893912.db2.gz AURAGWJZIFAZEG-NRFANRHFSA-N 1 2 420.494 3.928 20 5 HHBDLO CC[C@]1(O)CC[N@@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000495209960 1000915169 /nfs/dbraw/zinc/91/51/69/1000915169.db2.gz CNYUPHLQFKQCQC-ICSRJNTNSA-N 1 2 403.866 3.775 20 5 HHBDLO CC[C@]1(O)CC[N@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000495209960 1000915174 /nfs/dbraw/zinc/91/51/74/1000915174.db2.gz CNYUPHLQFKQCQC-ICSRJNTNSA-N 1 2 403.866 3.775 20 5 HHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000506033520 1001178569 /nfs/dbraw/zinc/17/85/69/1001178569.db2.gz YJPGQWXNZDKGQX-LLVKDONJSA-N 1 2 412.277 3.762 20 5 HHBDLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000506612323 1001470929 /nfs/dbraw/zinc/47/09/29/1001470929.db2.gz SHZAHYIVRSSEDR-KRWDZBQOSA-N 1 2 412.412 3.586 20 5 HHBDLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000506612323 1001470931 /nfs/dbraw/zinc/47/09/31/1001470931.db2.gz SHZAHYIVRSSEDR-KRWDZBQOSA-N 1 2 412.412 3.586 20 5 HHBDLO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1Br ZINC000506748965 1001512973 /nfs/dbraw/zinc/51/29/73/1001512973.db2.gz WJVVUTBZKHUJFN-SOFGYWHQSA-N 1 2 404.264 3.941 20 5 HHBDLO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1Br ZINC000506748965 1001512977 /nfs/dbraw/zinc/51/29/77/1001512977.db2.gz WJVVUTBZKHUJFN-SOFGYWHQSA-N 1 2 404.264 3.941 20 5 HHBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000506807804 1001541167 /nfs/dbraw/zinc/54/11/67/1001541167.db2.gz VRUGABMJLYENOX-UHFFFAOYSA-N 1 2 405.380 3.584 20 5 HHBDLO COc1cccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 ZINC000507353225 1002017663 /nfs/dbraw/zinc/01/76/63/1002017663.db2.gz OTYALWJVNDLUSO-UHFFFAOYSA-N 1 2 421.453 3.821 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@H]1c1ccc(F)c(F)c1 ZINC000498644995 1002046064 /nfs/dbraw/zinc/04/60/64/1002046064.db2.gz VOHZPVTXWBZXOQ-FXAWDEMLSA-N 1 2 412.396 3.596 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@H]1c1ccc(F)c(F)c1 ZINC000498644995 1002046071 /nfs/dbraw/zinc/04/60/71/1002046071.db2.gz VOHZPVTXWBZXOQ-FXAWDEMLSA-N 1 2 412.396 3.596 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2ccc(SC)c(OC)c2)c([N+](=O)[O-])c1 ZINC000507709678 1002300152 /nfs/dbraw/zinc/30/01/52/1002300152.db2.gz NICVOIBVVMJANS-UHFFFAOYSA-N 1 2 419.503 3.795 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(SC)c(OC)c2)c([N+](=O)[O-])c1 ZINC000507709678 1002300165 /nfs/dbraw/zinc/30/01/65/1002300165.db2.gz NICVOIBVVMJANS-UHFFFAOYSA-N 1 2 419.503 3.795 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000499153267 1002536714 /nfs/dbraw/zinc/53/67/14/1002536714.db2.gz FNHHFGGITLXSNB-RTBURBONSA-N 1 2 418.881 3.750 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000499153267 1002536721 /nfs/dbraw/zinc/53/67/21/1002536721.db2.gz FNHHFGGITLXSNB-RTBURBONSA-N 1 2 418.881 3.750 20 5 HHBDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H](C)C1 ZINC000508333787 1002836945 /nfs/dbraw/zinc/83/69/45/1002836945.db2.gz XVHOTZOABQWECQ-MRXNPFEDSA-N 1 2 422.485 3.821 20 5 HHBDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H](C)C1 ZINC000508333787 1002836963 /nfs/dbraw/zinc/83/69/63/1002836963.db2.gz XVHOTZOABQWECQ-MRXNPFEDSA-N 1 2 422.485 3.821 20 5 HHBDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000508353098 1002853389 /nfs/dbraw/zinc/85/33/89/1002853389.db2.gz AAMHNQODKWJCMA-UHFFFAOYSA-N 1 2 413.455 3.702 20 5 HHBDLO COc1cccc(C2(F)CC[NH+](CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2)c1 ZINC000500157801 1003512353 /nfs/dbraw/zinc/51/23/53/1003512353.db2.gz VOBBQABPEJKBPX-UHFFFAOYSA-N 1 2 417.437 3.511 20 5 HHBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000509075722 1003536343 /nfs/dbraw/zinc/53/63/43/1003536343.db2.gz AGXWVCXXCMDBGA-UHFFFAOYSA-N 1 2 420.347 3.652 20 5 HHBDLO O=[N+]([O-])c1ccc2c(c1)[nH]cc2-c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000500798535 1003963915 /nfs/dbraw/zinc/96/39/15/1003963915.db2.gz DRENUDALRIZRGE-IBGZPJMESA-N 1 2 405.414 3.700 20 5 HHBDLO O=[N+]([O-])c1ccc2c(c1)[nH]cc2-c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000500798535 1003963926 /nfs/dbraw/zinc/96/39/26/1003963926.db2.gz DRENUDALRIZRGE-IBGZPJMESA-N 1 2 405.414 3.700 20 5 HHBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)n2)C1 ZINC000500903818 1004040766 /nfs/dbraw/zinc/04/07/66/1004040766.db2.gz ZEIBCHJLZNOFJZ-BEFAXECRSA-N 1 2 415.494 3.663 20 5 HHBDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)n2)C1 ZINC000500903818 1004040775 /nfs/dbraw/zinc/04/07/75/1004040775.db2.gz ZEIBCHJLZNOFJZ-BEFAXECRSA-N 1 2 415.494 3.663 20 5 HHBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCCN(c3ccccc3F)CC2)cccc1[N+](=O)[O-] ZINC000513373557 1004932290 /nfs/dbraw/zinc/93/22/90/1004932290.db2.gz ZNDUHGMPJBHJEX-INIZCTEOSA-N 1 2 400.454 3.582 20 5 HHBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCCN(c3ccccc3F)CC2)cccc1[N+](=O)[O-] ZINC000513373557 1004932299 /nfs/dbraw/zinc/93/22/99/1004932299.db2.gz ZNDUHGMPJBHJEX-INIZCTEOSA-N 1 2 400.454 3.582 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000511023068 1004984449 /nfs/dbraw/zinc/98/44/49/1004984449.db2.gz XWHKZYOCETVTGS-UHFFFAOYSA-N 1 2 422.279 3.827 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000511023068 1004984454 /nfs/dbraw/zinc/98/44/54/1004984454.db2.gz XWHKZYOCETVTGS-UHFFFAOYSA-N 1 2 422.279 3.827 20 5 HHBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000502732903 1005194904 /nfs/dbraw/zinc/19/49/04/1005194904.db2.gz PAEVKDNJOTUUAA-OAHLLOKOSA-N 1 2 411.437 3.663 20 5 HHBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000502754384 1005202149 /nfs/dbraw/zinc/20/21/49/1005202149.db2.gz AKPXZVJCNGOXRK-AWEZNQCLSA-N 1 2 420.872 3.532 20 5 HHBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513988672 1005215696 /nfs/dbraw/zinc/21/56/96/1005215696.db2.gz BPAPQTUWGKNFOA-SFHVURJKSA-N 1 2 400.866 3.609 20 5 HHBDLO Cc1nc2ccccn2c1C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000514220993 1005319764 /nfs/dbraw/zinc/31/97/64/1005319764.db2.gz DRARSTSFFVRAIJ-UHFFFAOYSA-N 1 2 419.407 3.892 20 5 HHBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000504076130 1005547179 /nfs/dbraw/zinc/54/71/79/1005547179.db2.gz KIZMGQCSMHHRSO-UHFFFAOYSA-N 1 2 400.504 3.891 20 5 HHBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000534643968 1006622800 /nfs/dbraw/zinc/62/28/00/1006622800.db2.gz VEQOSPITMUMXAU-UHFFFAOYSA-N 1 2 405.414 3.533 20 5 HHBDLO CC[C@@H]1C[N@@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C[C@H]1O ZINC000534863283 1006888675 /nfs/dbraw/zinc/88/86/75/1006888675.db2.gz DAUKZZMTCHABSY-UPRAQXHNSA-N 1 2 403.866 3.631 20 5 HHBDLO CC[C@@H]1C[N@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C[C@H]1O ZINC000534863283 1006888687 /nfs/dbraw/zinc/88/86/87/1006888687.db2.gz DAUKZZMTCHABSY-UPRAQXHNSA-N 1 2 403.866 3.631 20 5 HHBDLO Cc1nsc(N2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC2)n1 ZINC000538735393 1007017681 /nfs/dbraw/zinc/01/76/81/1007017681.db2.gz VFKNDULMGSTGFC-UHFFFAOYSA-N 1 2 419.894 3.990 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000532587272 1007024343 /nfs/dbraw/zinc/02/43/43/1007024343.db2.gz ZKLUGYHPDSUYEY-AWEZNQCLSA-N 1 2 401.438 3.949 20 5 HHBDLO Cc1cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(C)c[nH+]1 ZINC000535036336 1007074661 /nfs/dbraw/zinc/07/46/61/1007074661.db2.gz YJZZGZLKUYXFTH-UHFFFAOYSA-N 1 2 422.407 3.902 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000535130790 1007167871 /nfs/dbraw/zinc/16/78/71/1007167871.db2.gz OGZGWWVZDSQTBO-OXJNMPFZSA-N 1 2 421.856 3.718 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000535130790 1007167876 /nfs/dbraw/zinc/16/78/76/1007167876.db2.gz OGZGWWVZDSQTBO-OXJNMPFZSA-N 1 2 421.856 3.718 20 5 HHBDLO COc1cccc(C[C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000532925310 1007297104 /nfs/dbraw/zinc/29/71/04/1007297104.db2.gz UTVRZOJUJCSISQ-HNNXBMFYSA-N 1 2 403.866 3.902 20 5 HHBDLO COc1cccc(C[C@@H]2CCC[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000532925310 1007297112 /nfs/dbraw/zinc/29/71/12/1007297112.db2.gz UTVRZOJUJCSISQ-HNNXBMFYSA-N 1 2 403.866 3.902 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000532926890 1007299528 /nfs/dbraw/zinc/29/95/28/1007299528.db2.gz DYHBGOJVKYBBNS-VQIMIIECSA-N 1 2 424.284 3.739 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000532926890 1007299532 /nfs/dbraw/zinc/29/95/32/1007299532.db2.gz DYHBGOJVKYBBNS-VQIMIIECSA-N 1 2 424.284 3.739 20 5 HHBDLO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000533012189 1007376021 /nfs/dbraw/zinc/37/60/21/1007376021.db2.gz IUBDHBJOCPDEJI-GOSISDBHSA-N 1 2 411.487 3.832 20 5 HHBDLO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000533012189 1007376035 /nfs/dbraw/zinc/37/60/35/1007376035.db2.gz IUBDHBJOCPDEJI-GOSISDBHSA-N 1 2 411.487 3.832 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000535375729 1007438464 /nfs/dbraw/zinc/43/84/64/1007438464.db2.gz XIUOJOAVBAIYOL-SUMWQHHRSA-N 1 2 419.865 3.737 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000535375729 1007438470 /nfs/dbraw/zinc/43/84/70/1007438470.db2.gz XIUOJOAVBAIYOL-SUMWQHHRSA-N 1 2 419.865 3.737 20 5 HHBDLO Cc1csc([C@@H]2C[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCO2)n1 ZINC000533258918 1007575171 /nfs/dbraw/zinc/57/51/71/1007575171.db2.gz QHYQPESCUUFUSE-KRWDZBQOSA-N 1 2 400.460 3.631 20 5 HHBDLO Cc1csc([C@@H]2C[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCO2)n1 ZINC000533258918 1007575179 /nfs/dbraw/zinc/57/51/79/1007575179.db2.gz QHYQPESCUUFUSE-KRWDZBQOSA-N 1 2 400.460 3.631 20 5 HHBDLO COc1ccccc1C[NH+]1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000533274774 1007587232 /nfs/dbraw/zinc/58/72/32/1007587232.db2.gz VIXYCYXZQATGPU-INIZCTEOSA-N 1 2 423.473 3.532 20 5 HHBDLO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000533359292 1007668105 /nfs/dbraw/zinc/66/81/05/1007668105.db2.gz NDFXIECUERJNHX-UHFFFAOYSA-N 1 2 418.881 3.997 20 5 HHBDLO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000533359292 1007668110 /nfs/dbraw/zinc/66/81/10/1007668110.db2.gz NDFXIECUERJNHX-UHFFFAOYSA-N 1 2 418.881 3.997 20 5 HHBDLO CC[N@H+](CCc1nccs1)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000533597637 1007896930 /nfs/dbraw/zinc/89/69/30/1007896930.db2.gz DDENEHIDERJRRG-UHFFFAOYSA-N 1 2 417.516 3.678 20 5 HHBDLO CC[N@@H+](CCc1nccs1)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000533597637 1007896934 /nfs/dbraw/zinc/89/69/34/1007896934.db2.gz DDENEHIDERJRRG-UHFFFAOYSA-N 1 2 417.516 3.678 20 5 HHBDLO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000533682289 1008002545 /nfs/dbraw/zinc/00/25/45/1008002545.db2.gz OBZQAGSVHKJJBV-CRAIPNDOSA-N 1 2 407.829 3.571 20 5 HHBDLO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000533682289 1008002555 /nfs/dbraw/zinc/00/25/55/1008002555.db2.gz OBZQAGSVHKJJBV-CRAIPNDOSA-N 1 2 407.829 3.571 20 5 HHBDLO COc1cc(OC)cc([C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c2nccn2C)c1 ZINC000539711690 1008029144 /nfs/dbraw/zinc/02/91/44/1008029144.db2.gz CPDYJSPVFBXMGY-RFFSMVSESA-N 1 2 408.458 3.738 20 5 HHBDLO C[C@@H](c1cccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1)[NH+]1CCOCC1 ZINC000533941100 1008221138 /nfs/dbraw/zinc/22/11/38/1008221138.db2.gz FRIYLVMFCNJIHS-HNNXBMFYSA-N 1 2 408.458 3.651 20 5 HHBDLO O=[N+]([O-])c1ccc2[nH]cc(Cc3nc(-c4cccc(C[NH+]5CCOCC5)c4)no3)c2c1 ZINC000533956093 1008232015 /nfs/dbraw/zinc/23/20/15/1008232015.db2.gz AUVQMMKJDFYPKM-UHFFFAOYSA-N 1 2 419.441 3.549 20 5 HHBDLO COc1ccc(C[NH2+][C@@H](C)c2nnn(-c3cccc(Cl)c3)c2C)cc1[N+](=O)[O-] ZINC000540171244 1008321107 /nfs/dbraw/zinc/32/11/07/1008321107.db2.gz PJLZQXZGBLFPGV-LBPRGKRZSA-N 1 2 401.854 3.997 20 5 HHBDLO O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518967684 1008490304 /nfs/dbraw/zinc/49/03/04/1008490304.db2.gz WSWXGBTWKFKBHI-KRWDZBQOSA-N 1 2 420.872 3.851 20 5 HHBDLO O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518967684 1008490306 /nfs/dbraw/zinc/49/03/06/1008490306.db2.gz WSWXGBTWKFKBHI-KRWDZBQOSA-N 1 2 420.872 3.851 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c(Cl)c1 ZINC000520302679 1009428357 /nfs/dbraw/zinc/42/83/57/1009428357.db2.gz FVFWWBLTYCSTKX-UHFFFAOYSA-N 1 2 400.822 3.797 20 5 HHBDLO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1 ZINC000520543768 1009628884 /nfs/dbraw/zinc/62/88/84/1009628884.db2.gz PSPPTYTVTNJZFH-AWEZNQCLSA-N 1 2 401.488 3.962 20 5 HHBDLO CCOC(=O)c1sc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)nc1C ZINC000544511888 1010135143 /nfs/dbraw/zinc/13/51/43/1010135143.db2.gz DTGDNMDNQOMWLC-OLZOCXBDSA-N 1 2 420.491 3.523 20 5 HHBDLO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000544657218 1010278397 /nfs/dbraw/zinc/27/83/97/1010278397.db2.gz QDBKRDWADASMFA-KQPNJSLMSA-N 1 2 407.392 3.677 20 5 HHBDLO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000544657218 1010278408 /nfs/dbraw/zinc/27/84/08/1010278408.db2.gz QDBKRDWADASMFA-KQPNJSLMSA-N 1 2 407.392 3.677 20 5 HHBDLO COc1cc(C[NH2+]Cc2cc(C)nc(C)n2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000551580742 1010675004 /nfs/dbraw/zinc/67/50/04/1010675004.db2.gz WYBWMTVTJPPFOQ-UHFFFAOYSA-N 1 2 408.458 3.879 20 5 HHBDLO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000522238201 1010882329 /nfs/dbraw/zinc/88/23/29/1010882329.db2.gz TZAVCNXXTOAWMW-KRWDZBQOSA-N 1 2 420.872 3.851 20 5 HHBDLO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000522238201 1010882336 /nfs/dbraw/zinc/88/23/36/1010882336.db2.gz TZAVCNXXTOAWMW-KRWDZBQOSA-N 1 2 420.872 3.851 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)n2)c1 ZINC000540590352 1011246322 /nfs/dbraw/zinc/24/63/22/1011246322.db2.gz JKSLBUKSHIYDFL-FQEVSTJZSA-N 1 2 408.414 3.657 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000540621254 1011272739 /nfs/dbraw/zinc/27/27/39/1011272739.db2.gz UTNVFQZFGYLDLC-INIZCTEOSA-N 1 2 403.504 3.639 20 5 HHBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000536194802 1011337867 /nfs/dbraw/zinc/33/78/67/1011337867.db2.gz XUTIHFDCBWKRFF-GOSISDBHSA-N 1 2 409.364 3.694 20 5 HHBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000536194802 1011337884 /nfs/dbraw/zinc/33/78/84/1011337884.db2.gz XUTIHFDCBWKRFF-GOSISDBHSA-N 1 2 409.364 3.694 20 5 HHBDLO CCc1nnc([C@H](C)[NH2+]Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)[nH]1 ZINC000536496273 1011704150 /nfs/dbraw/zinc/70/41/50/1011704150.db2.gz FKMZSOIPQBHWRF-AWEZNQCLSA-N 1 2 411.462 3.714 20 5 HHBDLO CCN(CC)C(=O)CCC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000541085006 1011726778 /nfs/dbraw/zinc/72/67/78/1011726778.db2.gz UOBXGUJQKNXRBA-UHFFFAOYSA-N 1 2 424.929 3.547 20 5 HHBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000536659385 1011808254 /nfs/dbraw/zinc/80/82/54/1011808254.db2.gz ZQDKZFLGISQTAH-UHFFFAOYSA-N 1 2 402.454 3.615 20 5 HHBDLO C[C@@H](c1cccc(NC(=O)CSc2ccccc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000541284187 1011978752 /nfs/dbraw/zinc/97/87/52/1011978752.db2.gz SPZBVAGAMREDMD-HNNXBMFYSA-N 1 2 401.488 3.719 20 5 HHBDLO Cn1ccnc1[C@@H]([NH2+]CCOc1ncccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000552276348 1012291754 /nfs/dbraw/zinc/29/17/54/1012291754.db2.gz UKETUAMETZBGTE-INIZCTEOSA-N 1 2 421.379 3.500 20 5 HHBDLO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)Cc1ccccc1S(N)(=O)=O ZINC000552312216 1012322752 /nfs/dbraw/zinc/32/27/52/1012322752.db2.gz XNAPMWOUVQBYIJ-UHFFFAOYSA-N 1 2 417.512 3.603 20 5 HHBDLO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)Cc1ccccc1S(N)(=O)=O ZINC000552312216 1012322768 /nfs/dbraw/zinc/32/27/68/1012322768.db2.gz XNAPMWOUVQBYIJ-UHFFFAOYSA-N 1 2 417.512 3.603 20 5 HHBDLO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(NC(=O)C2CC2)cc1 ZINC000537054077 1012383724 /nfs/dbraw/zinc/38/37/24/1012383724.db2.gz PIBPTESEKYPKAG-ZDUSSCGKSA-N 1 2 407.430 3.844 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1 ZINC000552427081 1012444189 /nfs/dbraw/zinc/44/41/89/1012444189.db2.gz LZVYTWJVQZRKDL-KRWDZBQOSA-N 1 2 413.474 3.704 20 5 HHBDLO Cc1nc(-c2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cc2Cl)n[nH]1 ZINC000537211534 1012634991 /nfs/dbraw/zinc/63/49/91/1012634991.db2.gz JCXMNMYEAJEBEC-UHFFFAOYSA-N 1 2 423.820 3.780 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H](CO)c3cccc(Br)c3)co2)cc1 ZINC000541982355 1012857052 /nfs/dbraw/zinc/85/70/52/1012857052.db2.gz CXYLUURBQGBBQQ-KRWDZBQOSA-N 1 2 418.247 3.836 20 5 HHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCCN(CC(F)F)CC2)cc1OC ZINC000541986721 1012863875 /nfs/dbraw/zinc/86/38/75/1012863875.db2.gz YGNMSDJWHDNGTO-OAHLLOKOSA-N 1 2 415.481 3.801 20 5 HHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCN(CC(F)F)CC2)cc1OC ZINC000541986721 1012863899 /nfs/dbraw/zinc/86/38/99/1012863899.db2.gz YGNMSDJWHDNGTO-OAHLLOKOSA-N 1 2 415.481 3.801 20 5 HHBDLO COc1ccc(NC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1[N+](=O)[O-] ZINC000542029963 1012926713 /nfs/dbraw/zinc/92/67/13/1012926713.db2.gz FHXDHTWWTDOMNW-AWEZNQCLSA-N 1 2 420.416 3.668 20 5 HHBDLO COc1ccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1[N+](=O)[O-] ZINC000542029963 1012926722 /nfs/dbraw/zinc/92/67/22/1012926722.db2.gz FHXDHTWWTDOMNW-AWEZNQCLSA-N 1 2 420.416 3.668 20 5 HHBDLO COc1ccc(CC(N)=[NH+]OCc2cc([N+](=O)[O-])ccc2OC(C)C)cc1OC ZINC000729674872 1071791044 /nfs/dbraw/zinc/79/10/44/1071791044.db2.gz QYWQJLSDGJCXOX-UHFFFAOYSA-N 1 2 403.435 3.640 20 5 HHBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000588845533 1073304234 /nfs/dbraw/zinc/30/42/34/1073304234.db2.gz JCZSGGSIGGRTJZ-OAHLLOKOSA-N 1 2 420.560 3.696 20 5 HHBDLO Cc1ccc(NC(=O)[C@@H](SCC[NH+]2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000590098474 1073545972 /nfs/dbraw/zinc/54/59/72/1073545972.db2.gz YZAXSIDQYWCBAP-FQEVSTJZSA-N 1 2 415.515 3.648 20 5 HHBDLO Cc1[nH+]ccn1-c1c(Cl)cccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000590592710 1073931515 /nfs/dbraw/zinc/93/15/15/1073931515.db2.gz VIYAKAXSKZRDFV-UHFFFAOYSA-N 1 2 406.851 3.852 20 5 HHBDLO O=[N+]([O-])c1cnc(Cl)cc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673027 719498020 /nfs/dbraw/zinc/49/80/20/719498020.db2.gz MLXZOSFKXAYOTH-UHFFFAOYSA-N 1 2 420.872 3.654 20 5 HHBDLO O=[N+]([O-])c1cnc(Cl)cc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673027 719498028 /nfs/dbraw/zinc/49/80/28/719498028.db2.gz MLXZOSFKXAYOTH-UHFFFAOYSA-N 1 2 420.872 3.654 20 5 HHBDLO Cc1ccnc(NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)c1[N+](=O)[O-] ZINC000301249445 970832795 /nfs/dbraw/zinc/83/27/95/970832795.db2.gz BPUMAUYWQLEOBJ-UHFFFAOYSA-N 1 2 422.464 3.771 20 5 HHBDLO O=[N+]([O-])c1cc(Cl)cnc1Sc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000301742760 971048991 /nfs/dbraw/zinc/04/89/91/971048991.db2.gz MCHPSZABKWMIDY-UHFFFAOYSA-N 1 2 416.894 3.971 20 5 HHBDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(OC)c1 ZINC000302733948 971295023 /nfs/dbraw/zinc/29/50/23/971295023.db2.gz CLGOVSSQYQEFHV-SFHVURJKSA-N 1 2 410.430 3.999 20 5 HHBDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(OC)c1 ZINC000302733948 971295028 /nfs/dbraw/zinc/29/50/28/971295028.db2.gz CLGOVSSQYQEFHV-SFHVURJKSA-N 1 2 410.430 3.999 20 5 HHBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303529244 971830091 /nfs/dbraw/zinc/83/00/91/971830091.db2.gz RJEXDSHEZULKOY-KRWDZBQOSA-N 1 2 405.857 3.711 20 5 HHBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303529244 971830092 /nfs/dbraw/zinc/83/00/92/971830092.db2.gz RJEXDSHEZULKOY-KRWDZBQOSA-N 1 2 405.857 3.711 20 5 HHBDLO COc1ccc(C(=O)C2CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)cc1 ZINC000014325550 962471743 /nfs/dbraw/zinc/47/17/43/962471743.db2.gz YAZZTFGLAFQGKU-UHFFFAOYSA-N 1 2 412.442 3.565 20 5 HHBDLO COc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000014325830 962471901 /nfs/dbraw/zinc/47/19/01/962471901.db2.gz FCVUEJTVPRQZKW-OAHLLOKOSA-N 1 2 411.458 3.525 20 5 HHBDLO COC(=O)c1cc(C)nc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000553509680 1013409349 /nfs/dbraw/zinc/40/93/49/1013409349.db2.gz FIAQSMZYTTWBOY-JKSUJKDBSA-N 1 2 422.844 3.735 20 5 HHBDLO COC(=O)c1cc(C)nc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000553509680 1013409356 /nfs/dbraw/zinc/40/93/56/1013409356.db2.gz FIAQSMZYTTWBOY-JKSUJKDBSA-N 1 2 422.844 3.735 20 5 HHBDLO O=[N+]([O-])c1cc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c2c(c1)COCO2 ZINC000023752221 963884881 /nfs/dbraw/zinc/88/48/81/963884881.db2.gz BFRSDEPVDGJLPM-UHFFFAOYSA-N 1 2 423.391 3.802 20 5 HHBDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)c2ccc(Cl)cc2)C1 ZINC000542508053 1013452493 /nfs/dbraw/zinc/45/24/93/1013452493.db2.gz VOSMNXAXZVSWHN-HKUYNNGSSA-N 1 2 413.865 3.675 20 5 HHBDLO C[N@H+]1CCO[C@H]([C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)c2ccc(Cl)cc2)C1 ZINC000542508053 1013452496 /nfs/dbraw/zinc/45/24/96/1013452496.db2.gz VOSMNXAXZVSWHN-HKUYNNGSSA-N 1 2 413.865 3.675 20 5 HHBDLO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2CC2)cc1 ZINC000025183018 964202081 /nfs/dbraw/zinc/20/20/81/964202081.db2.gz XXMFNIIIDJTUPJ-UHFFFAOYSA-N 1 2 423.469 3.518 20 5 HHBDLO O=C(NC1CC1)c1ccc(C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2CC2)cc1 ZINC000025183018 964202087 /nfs/dbraw/zinc/20/20/87/964202087.db2.gz XXMFNIIIDJTUPJ-UHFFFAOYSA-N 1 2 423.469 3.518 20 5 HHBDLO O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000049934806 964224012 /nfs/dbraw/zinc/22/40/12/964224012.db2.gz JEAZONLHXYLARS-UHFFFAOYSA-N 1 2 417.469 3.564 20 5 HHBDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050605068 964362234 /nfs/dbraw/zinc/36/22/34/964362234.db2.gz RFZXIPKHCYUGEW-UHFFFAOYSA-N 1 2 414.512 3.568 20 5 HHBDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050605068 964362237 /nfs/dbraw/zinc/36/22/37/964362237.db2.gz RFZXIPKHCYUGEW-UHFFFAOYSA-N 1 2 414.512 3.568 20 5 HHBDLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000025926877 964393465 /nfs/dbraw/zinc/39/34/65/964393465.db2.gz AYWKCLUWLODAGI-GOSISDBHSA-N 1 2 410.430 3.999 20 5 HHBDLO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000025926877 964393472 /nfs/dbraw/zinc/39/34/72/964393472.db2.gz AYWKCLUWLODAGI-GOSISDBHSA-N 1 2 410.430 3.999 20 5 HHBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1OC(F)F ZINC000026452533 964568819 /nfs/dbraw/zinc/56/88/19/964568819.db2.gz JYVQCIRGSNMPHY-UHFFFAOYSA-N 1 2 409.389 3.584 20 5 HHBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1OC(F)F ZINC000026452533 964568827 /nfs/dbraw/zinc/56/88/27/964568827.db2.gz JYVQCIRGSNMPHY-UHFFFAOYSA-N 1 2 409.389 3.584 20 5 HHBDLO O=C(c1ccc(C(F)(F)F)cc1)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052566702 964933172 /nfs/dbraw/zinc/93/31/72/964933172.db2.gz VVJPKEIOWYGQTG-UHFFFAOYSA-N 1 2 407.392 3.614 20 5 HHBDLO Cc1c(C[NH+]2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)cccc1[N+](=O)[O-] ZINC000052775947 964982721 /nfs/dbraw/zinc/98/27/21/964982721.db2.gz QWTNKAQYKORJOW-QGZVFWFLSA-N 1 2 407.474 3.832 20 5 HHBDLO O=C(C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000052865565 965005866 /nfs/dbraw/zinc/00/58/66/965005866.db2.gz HHQVJNBJQYUWKC-KRWDZBQOSA-N 1 2 403.866 3.868 20 5 HHBDLO O=C(C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000052865565 965005874 /nfs/dbraw/zinc/00/58/74/965005874.db2.gz HHQVJNBJQYUWKC-KRWDZBQOSA-N 1 2 403.866 3.868 20 5 HHBDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000029689800 965459846 /nfs/dbraw/zinc/45/98/46/965459846.db2.gz JEAUHTHYIRQKNJ-INIZCTEOSA-N 1 2 416.909 3.590 20 5 HHBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000054433919 965515760 /nfs/dbraw/zinc/51/57/60/965515760.db2.gz KRGWDEPRYSZBKN-IRXDYDNUSA-N 1 2 412.490 3.568 20 5 HHBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000058297230 965679632 /nfs/dbraw/zinc/67/96/32/965679632.db2.gz NESSWRSPOUMYHV-CQSZACIVSA-N 1 2 413.865 3.875 20 5 HHBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000055425581 965858075 /nfs/dbraw/zinc/85/80/75/965858075.db2.gz BNQVXIIXJIGGPO-UHFFFAOYSA-N 1 2 410.861 3.754 20 5 HHBDLO CN(Cc1ccccc1Br)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032486875 966270893 /nfs/dbraw/zinc/27/08/93/966270893.db2.gz VFUQCXRCKGCQGG-UHFFFAOYSA-N 1 2 415.247 3.815 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](Cc3cccs3)C[C@@H]3CCCO3)n2)c1 ZINC000043801557 967036775 /nfs/dbraw/zinc/03/67/75/967036775.db2.gz OQXBHWSSWJLCJE-INIZCTEOSA-N 1 2 400.460 3.888 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](Cc3cccs3)C[C@@H]3CCCO3)n2)c1 ZINC000043801557 967036788 /nfs/dbraw/zinc/03/67/88/967036788.db2.gz OQXBHWSSWJLCJE-INIZCTEOSA-N 1 2 400.460 3.888 20 5 HHBDLO COc1cccc(C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]2CCCO2)c1 ZINC000064400515 967171985 /nfs/dbraw/zinc/17/19/85/967171985.db2.gz FZAUHEGTVUNCEZ-NRFANRHFSA-N 1 2 414.458 3.651 20 5 HHBDLO COc1cccc(C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]2CCCO2)c1 ZINC000064400515 967171990 /nfs/dbraw/zinc/17/19/90/967171990.db2.gz FZAUHEGTVUNCEZ-NRFANRHFSA-N 1 2 414.458 3.651 20 5 HHBDLO C[C@H]([NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000538180835 1013739675 /nfs/dbraw/zinc/73/96/75/1013739675.db2.gz QKULWOOQHICGLB-ZDUSSCGKSA-N 1 2 417.512 3.973 20 5 HHBDLO O=C(c1cccnc1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000046121353 967667542 /nfs/dbraw/zinc/66/75/42/967667542.db2.gz KGANNHPTZGHFRW-UHFFFAOYSA-N 1 2 408.483 3.676 20 5 HHBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(N(C)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000065956953 968737377 /nfs/dbraw/zinc/73/73/77/968737377.db2.gz NSGDOZDTESFCMA-UHFFFAOYSA-N 1 2 412.490 3.533 20 5 HHBDLO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)[NH+]2CCOCC2)cc1 ZINC000071840365 968868956 /nfs/dbraw/zinc/86/89/56/968868956.db2.gz KJYWMZYNSAZBCW-OAQYLSRUSA-N 1 2 408.458 3.637 20 5 HHBDLO O=[N+]([O-])c1cc(Br)ccc1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000105789154 969263726 /nfs/dbraw/zinc/26/37/26/969263726.db2.gz QFYZJEGUNCXVSS-GOSISDBHSA-N 1 2 406.280 3.843 20 5 HHBDLO COc1c(C)c[nH+]c(CN(C)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1C ZINC000109464752 969521360 /nfs/dbraw/zinc/52/13/60/969521360.db2.gz OSWXZCLOGMMRHV-UHFFFAOYSA-N 1 2 415.493 3.834 20 5 HHBDLO COc1ccc([C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c2ccc(F)cc2)cc1 ZINC000149859260 970414270 /nfs/dbraw/zinc/41/42/70/970414270.db2.gz FJFVHTYXONCHTL-NRFANRHFSA-N 1 2 409.417 3.721 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000261378764 970635202 /nfs/dbraw/zinc/63/52/02/970635202.db2.gz BMQDWWJPEKNIPO-HNNXBMFYSA-N 1 2 405.495 3.744 20 5 HHBDLO O=[N+]([O-])c1cc(Br)ccc1NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000311709231 972627311 /nfs/dbraw/zinc/62/73/11/972627311.db2.gz UVWWJXCVIFTBQS-INIZCTEOSA-N 1 2 406.280 3.670 20 5 HHBDLO O=[N+]([O-])c1cc(Br)ccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000311709231 972627316 /nfs/dbraw/zinc/62/73/16/972627316.db2.gz UVWWJXCVIFTBQS-INIZCTEOSA-N 1 2 406.280 3.670 20 5 HHBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410259950 973769678 /nfs/dbraw/zinc/76/96/78/973769678.db2.gz ZOBOSGDOMBBJGC-HNNXBMFYSA-N 1 2 402.882 3.730 20 5 HHBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426216586 974318892 /nfs/dbraw/zinc/31/88/92/974318892.db2.gz RGHPLWYHUCIMBB-UHFFFAOYSA-N 1 2 405.458 3.714 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000427037861 974848120 /nfs/dbraw/zinc/84/81/20/974848120.db2.gz XVFMOGVSUMCTDI-PKOBYXMFSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000427037861 974848125 /nfs/dbraw/zinc/84/81/25/974848125.db2.gz XVFMOGVSUMCTDI-PKOBYXMFSA-N 1 2 421.856 3.961 20 5 HHBDLO O=C(N[C@H]1CCC[C@H]1OCc1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000427548670 975176840 /nfs/dbraw/zinc/17/68/40/975176840.db2.gz YEZXKVNZDXWOSM-GHTZIAJQSA-N 1 2 406.442 3.648 20 5 HHBDLO Cc1cc(OCC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000430400381 977523678 /nfs/dbraw/zinc/52/36/78/977523678.db2.gz JGUUBTCNTDAJHS-CALCHBBNSA-N 1 2 413.474 3.530 20 5 HHBDLO Cc1cc(OCC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000430400381 977523681 /nfs/dbraw/zinc/52/36/81/977523681.db2.gz JGUUBTCNTDAJHS-CALCHBBNSA-N 1 2 413.474 3.530 20 5 HHBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430495711 977599914 /nfs/dbraw/zinc/59/99/14/977599914.db2.gz BRCZACUXWKRWCG-UHFFFAOYSA-N 1 2 409.284 3.669 20 5 HHBDLO CC(C)(NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000431875508 978569444 /nfs/dbraw/zinc/56/94/44/978569444.db2.gz MXSMZKFAOUAHLZ-UHFFFAOYSA-N 1 2 407.474 3.617 20 5 HHBDLO CC(C)c1[nH]nc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1[N+](=O)[O-] ZINC000433867040 979636703 /nfs/dbraw/zinc/63/67/03/979636703.db2.gz HJICBCOXYCLFMF-UHFFFAOYSA-N 1 2 407.474 3.553 20 5 HHBDLO O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434282657 980042635 /nfs/dbraw/zinc/04/26/35/980042635.db2.gz MTYGOYVWAOWDEP-UHFFFAOYSA-N 1 2 405.458 3.950 20 5 HHBDLO O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000434282657 980042639 /nfs/dbraw/zinc/04/26/39/980042639.db2.gz MTYGOYVWAOWDEP-UHFFFAOYSA-N 1 2 405.458 3.950 20 5 HHBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000436883399 981600727 /nfs/dbraw/zinc/60/07/27/981600727.db2.gz FLNMTXMZQVLZEX-UHFFFAOYSA-N 1 2 423.391 3.667 20 5 HHBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000436883399 981600728 /nfs/dbraw/zinc/60/07/28/981600728.db2.gz FLNMTXMZQVLZEX-UHFFFAOYSA-N 1 2 423.391 3.667 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437230728 981887896 /nfs/dbraw/zinc/88/78/96/981887896.db2.gz ZHKIZGKFTFMQFI-UHFFFAOYSA-N 1 2 408.380 3.929 20 5 HHBDLO CC(C)(C)OC(=O)CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000460211794 981986782 /nfs/dbraw/zinc/98/67/82/981986782.db2.gz QTFVMRITNFZWAP-UHFFFAOYSA-N 1 2 422.441 3.769 20 5 HHBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000437729633 982322815 /nfs/dbraw/zinc/32/28/15/982322815.db2.gz VAVUVRQZXGMCHF-UHFFFAOYSA-N 1 2 413.478 3.769 20 5 HHBDLO O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCn2c[nH+]cc2C1 ZINC000461186548 982904525 /nfs/dbraw/zinc/90/45/25/982904525.db2.gz AOHBPEKCUXKOFM-UHFFFAOYSA-N 1 2 411.849 3.713 20 5 HHBDLO CCc1sc(-c2nnc(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)cc1C ZINC000440505928 983778828 /nfs/dbraw/zinc/77/88/28/983778828.db2.gz ZMPVOVBUFCHVHC-ZDUSSCGKSA-N 1 2 414.491 3.659 20 5 HHBDLO CCc1sc(-c2nnc(C[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)cc1C ZINC000440505928 983778831 /nfs/dbraw/zinc/77/88/31/983778831.db2.gz ZMPVOVBUFCHVHC-ZDUSSCGKSA-N 1 2 414.491 3.659 20 5 HHBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c(C)c1 ZINC000441469257 984267823 /nfs/dbraw/zinc/26/78/23/984267823.db2.gz DKHIYQYOVASSSI-OAQYLSRUSA-N 1 2 417.469 3.921 20 5 HHBDLO COc1cc(S(=O)(=O)Nc2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)ccc1[N+](=O)[O-] ZINC000462352694 985341142 /nfs/dbraw/zinc/34/11/42/985341142.db2.gz NZMDPKBFLBSOBI-AWEZNQCLSA-N 1 2 419.503 3.764 20 5 HHBDLO COc1cc(S(=O)(=O)Nc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)ccc1[N+](=O)[O-] ZINC000462352694 985341155 /nfs/dbraw/zinc/34/11/55/985341155.db2.gz NZMDPKBFLBSOBI-AWEZNQCLSA-N 1 2 419.503 3.764 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H](Oc4ccccc4Cl)C3)n2)cc1 ZINC000443650608 985846808 /nfs/dbraw/zinc/84/68/08/985846808.db2.gz IQXLZQDPNMKJNN-HNNXBMFYSA-N 1 2 400.822 3.952 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H](Oc4ccccc4Cl)C3)n2)cc1 ZINC000443650608 985846822 /nfs/dbraw/zinc/84/68/22/985846822.db2.gz IQXLZQDPNMKJNN-HNNXBMFYSA-N 1 2 400.822 3.952 20 5 HHBDLO CS(=O)(=O)C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1 ZINC000463051815 986009958 /nfs/dbraw/zinc/00/99/58/986009958.db2.gz CREUDHNSAMBBFI-GOSISDBHSA-N 1 2 400.456 3.730 20 5 HHBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)CC1 ZINC000463152080 986122698 /nfs/dbraw/zinc/12/26/98/986122698.db2.gz NJAMWABGMUHIDO-UHFFFAOYSA-N 1 2 422.407 3.613 20 5 HHBDLO C[C@@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C[C@H]1n1cc[nH+]c1 ZINC000444222560 986408836 /nfs/dbraw/zinc/40/88/36/986408836.db2.gz GPYWLGZEZWWVKS-BFUOFWGJSA-N 1 2 422.435 3.879 20 5 HHBDLO CCO[C@H](C)c1nc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cs1 ZINC000444243225 986435834 /nfs/dbraw/zinc/43/58/34/986435834.db2.gz OWWREEZFNAVCPQ-CQSZACIVSA-N 1 2 406.508 3.918 20 5 HHBDLO CCO[C@H](C)c1nc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cs1 ZINC000444243225 986435839 /nfs/dbraw/zinc/43/58/39/986435839.db2.gz OWWREEZFNAVCPQ-CQSZACIVSA-N 1 2 406.508 3.918 20 5 HHBDLO COc1cccc(C[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]2CCCO2)c1 ZINC000463501792 986477155 /nfs/dbraw/zinc/47/71/55/986477155.db2.gz YONUOFCFTLYOFH-SFHVURJKSA-N 1 2 404.438 3.932 20 5 HHBDLO COc1cccc(C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]2CCCO2)c1 ZINC000463501792 986477157 /nfs/dbraw/zinc/47/71/57/986477157.db2.gz YONUOFCFTLYOFH-SFHVURJKSA-N 1 2 404.438 3.932 20 5 HHBDLO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000444328544 986507532 /nfs/dbraw/zinc/50/75/32/986507532.db2.gz IOCKJMDRDIIEBX-UHFFFAOYSA-N 1 2 408.458 3.660 20 5 HHBDLO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000444328544 986507540 /nfs/dbraw/zinc/50/75/40/986507540.db2.gz IOCKJMDRDIIEBX-UHFFFAOYSA-N 1 2 408.458 3.660 20 5 HHBDLO NC(=O)[C@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000463749230 986739166 /nfs/dbraw/zinc/73/91/66/986739166.db2.gz XYBJVSFHHABABI-HXUWFJFHSA-N 1 2 413.380 3.982 20 5 HHBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444825976 986981807 /nfs/dbraw/zinc/98/18/07/986981807.db2.gz FZJURLXXQNKHEN-UHFFFAOYSA-N 1 2 408.461 3.856 20 5 HHBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000444932695 987078550 /nfs/dbraw/zinc/07/85/50/987078550.db2.gz WVVZRWCRTSFTBP-UHFFFAOYSA-N 1 2 413.478 3.769 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000444935884 987080447 /nfs/dbraw/zinc/08/04/47/987080447.db2.gz HYYBLOFHDJIMKI-QUCCMNQESA-N 1 2 407.430 3.850 20 5 HHBDLO Cn1cnc([N+](=O)[O-])c1-c1noc(C[NH+](Cc2ccccc2)Cc2ccccc2)n1 ZINC000445574647 987639568 /nfs/dbraw/zinc/63/95/68/987639568.db2.gz NVBXPPVKPOHRAV-UHFFFAOYSA-N 1 2 404.430 3.581 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2nc(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)cs2)c1 ZINC000445814681 987876766 /nfs/dbraw/zinc/87/67/66/987876766.db2.gz AWYJGWJNLUHBQI-GOEBONIOSA-N 1 2 413.459 3.694 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2nc(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)cs2)c1 ZINC000445814681 987876772 /nfs/dbraw/zinc/87/67/72/987876772.db2.gz AWYJGWJNLUHBQI-GOEBONIOSA-N 1 2 413.459 3.694 20 5 HHBDLO CCC1(CC)C[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC[S@@]1=O ZINC000470547219 988557281 /nfs/dbraw/zinc/55/72/81/988557281.db2.gz QHPVIEFTZIRXBQ-NDEPHWFRSA-N 1 2 406.504 3.987 20 5 HHBDLO CCC1(CC)C[N@@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC[S@@]1=O ZINC000470547219 988557289 /nfs/dbraw/zinc/55/72/89/988557289.db2.gz QHPVIEFTZIRXBQ-NDEPHWFRSA-N 1 2 406.504 3.987 20 5 HHBDLO COc1cc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000464678864 988880941 /nfs/dbraw/zinc/88/09/41/988880941.db2.gz SQUJVPHKIJWZFH-UHFFFAOYSA-N 1 2 402.426 3.529 20 5 HHBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC000464715571 988929876 /nfs/dbraw/zinc/92/98/76/988929876.db2.gz UCLKVRGYUJIZQI-CYBMUJFWSA-N 1 2 410.434 3.702 20 5 HHBDLO Cc1c(C[N@@H+]2CCN(C(=O)Cc3cccc(Cl)c3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000464761862 988984703 /nfs/dbraw/zinc/98/47/03/988984703.db2.gz HEHPLLWHAGXUNL-HNNXBMFYSA-N 1 2 401.894 3.832 20 5 HHBDLO Cc1c(C[N@H+]2CCN(C(=O)Cc3cccc(Cl)c3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000464761862 988984705 /nfs/dbraw/zinc/98/47/05/988984705.db2.gz HEHPLLWHAGXUNL-HNNXBMFYSA-N 1 2 401.894 3.832 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H](OCc4ccccc4F)C3)n2)c1 ZINC000470911995 988989058 /nfs/dbraw/zinc/98/90/58/988989058.db2.gz BDHVHLGUTRJBBO-SFHVURJKSA-N 1 2 412.421 3.965 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](OCc4ccccc4F)C3)n2)c1 ZINC000470911995 988989061 /nfs/dbraw/zinc/98/90/61/988989061.db2.gz BDHVHLGUTRJBBO-SFHVURJKSA-N 1 2 412.421 3.965 20 5 HHBDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(F)c1 ZINC000464782039 989010437 /nfs/dbraw/zinc/01/04/37/989010437.db2.gz VCHFBZQWNFLLNX-HNNXBMFYSA-N 1 2 401.438 3.913 20 5 HHBDLO CCc1nsc(N2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)CC2)n1 ZINC000464851675 989103970 /nfs/dbraw/zinc/10/39/70/989103970.db2.gz QIEITRZRKLSXMO-UHFFFAOYSA-N 1 2 405.524 3.508 20 5 HHBDLO CCc1nsc(N2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)CC2)n1 ZINC000464851675 989103977 /nfs/dbraw/zinc/10/39/77/989103977.db2.gz QIEITRZRKLSXMO-UHFFFAOYSA-N 1 2 405.524 3.508 20 5 HHBDLO COc1ccc(C2CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CC2)cc1 ZINC000465375309 989728821 /nfs/dbraw/zinc/72/88/21/989728821.db2.gz YQHMBHNXKFZJHF-UHFFFAOYSA-N 1 2 406.442 3.809 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC(c2nc3ccccc3s2)C1 ZINC000465516329 989868467 /nfs/dbraw/zinc/86/84/67/989868467.db2.gz LSFRZGWKJBWOKF-UHFFFAOYSA-N 1 2 405.439 3.630 20 5 HHBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000465637466 990024073 /nfs/dbraw/zinc/02/40/73/990024073.db2.gz MQSCPAQGAPOGKC-KRWDZBQOSA-N 1 2 411.506 3.999 20 5 HHBDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3cccc([N+](=O)[O-])c3C)c2C1 ZINC000481493678 994326323 /nfs/dbraw/zinc/32/63/23/994326323.db2.gz PLNSGRUUZOTSNT-UHFFFAOYSA-N 1 2 404.470 3.759 20 5 HHBDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3cccc([N+](=O)[O-])c3C)c2C1 ZINC000481493678 994326336 /nfs/dbraw/zinc/32/63/36/994326336.db2.gz PLNSGRUUZOTSNT-UHFFFAOYSA-N 1 2 404.470 3.759 20 5 HHBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000475112450 995930192 /nfs/dbraw/zinc/93/01/92/995930192.db2.gz FJUZRFDTBAAXHM-UHFFFAOYSA-N 1 2 402.401 3.968 20 5 HHBDLO CCS(=O)(=O)c1ccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)s1 ZINC000475222908 996006620 /nfs/dbraw/zinc/00/66/20/996006620.db2.gz GYEKVHKJJDQSLI-UHFFFAOYSA-N 1 2 423.541 3.863 20 5 HHBDLO COc1ccc(-c2ccc(C[NH2+]Cc3ncnn3-c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000475277091 996040178 /nfs/dbraw/zinc/04/01/78/996040178.db2.gz QWUONJLNGHFMAN-UHFFFAOYSA-N 1 2 405.414 3.734 20 5 HHBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](CO)c3ccc(Cl)cc3C(F)(F)F)nc2c1 ZINC000483274153 996074823 /nfs/dbraw/zinc/07/48/23/996074823.db2.gz UYDQYSIMKYDQJB-HNNXBMFYSA-N 1 2 414.771 3.967 20 5 HHBDLO O=C(Cc1ccoc1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000475991310 996521408 /nfs/dbraw/zinc/52/14/08/996521408.db2.gz YNQOCWZNABHMIK-UHFFFAOYSA-N 1 2 411.483 3.803 20 5 HHBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)C2 ZINC000476122738 996615218 /nfs/dbraw/zinc/61/52/18/996615218.db2.gz SUYJQBNQFHJVRJ-VBKZILBWSA-N 1 2 400.504 3.820 20 5 HHBDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)CC2 ZINC000476122738 996615222 /nfs/dbraw/zinc/61/52/22/996615222.db2.gz SUYJQBNQFHJVRJ-VBKZILBWSA-N 1 2 400.504 3.820 20 5 HHBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000484498675 996824101 /nfs/dbraw/zinc/82/41/01/996824101.db2.gz FHCQNHHEXNABJU-CQSZACIVSA-N 1 2 413.865 3.875 20 5 HHBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000476537453 997027818 /nfs/dbraw/zinc/02/78/18/997027818.db2.gz BSOSTAWPCFZCTC-UHFFFAOYSA-N 1 2 408.792 3.543 20 5 HHBDLO COc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cc1SC ZINC000484961605 997338107 /nfs/dbraw/zinc/33/81/07/997338107.db2.gz UGTKTZFDWPLJNW-UHFFFAOYSA-N 1 2 415.515 3.592 20 5 HHBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C2 ZINC000477109472 997762141 /nfs/dbraw/zinc/76/21/41/997762141.db2.gz JPSCVXJMKLPXKS-GFCCVEGCSA-N 1 2 410.396 3.881 20 5 HHBDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)CC2 ZINC000477109472 997762155 /nfs/dbraw/zinc/76/21/55/997762155.db2.gz JPSCVXJMKLPXKS-GFCCVEGCSA-N 1 2 410.396 3.881 20 5 HHBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000477644317 998361211 /nfs/dbraw/zinc/36/12/11/998361211.db2.gz QYVUDMMCVBAEMW-GHTZIAJQSA-N 1 2 422.485 3.952 20 5 HHBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000477644317 998361222 /nfs/dbraw/zinc/36/12/22/998361222.db2.gz QYVUDMMCVBAEMW-GHTZIAJQSA-N 1 2 422.485 3.952 20 5 HHBDLO CSc1cccc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000486228649 998662445 /nfs/dbraw/zinc/66/24/45/998662445.db2.gz JEOSCURANCEUBD-AWEZNQCLSA-N 1 2 401.488 3.962 20 5 HHBDLO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000478404756 998940271 /nfs/dbraw/zinc/94/02/71/998940271.db2.gz IHVUYUCXUHTYOD-HNNXBMFYSA-N 1 2 412.277 3.591 20 5 HHBDLO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000478404756 998940274 /nfs/dbraw/zinc/94/02/74/998940274.db2.gz IHVUYUCXUHTYOD-HNNXBMFYSA-N 1 2 412.277 3.591 20 5 HHBDLO C[C@H]1C[N@@H+]([C@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c2cccs2)CCO1 ZINC000486921810 999007666 /nfs/dbraw/zinc/00/76/66/999007666.db2.gz DHKVMTUANBPIFD-XJKSGUPXSA-N 1 2 415.475 3.580 20 5 HHBDLO C[C@H]1C[N@H+]([C@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c2cccs2)CCO1 ZINC000486921810 999007671 /nfs/dbraw/zinc/00/76/71/999007671.db2.gz DHKVMTUANBPIFD-XJKSGUPXSA-N 1 2 415.475 3.580 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCc2ccc(Br)cc21 ZINC000487542196 999210685 /nfs/dbraw/zinc/21/06/85/999210685.db2.gz VBMJFPVASCGZFW-UHFFFAOYSA-N 1 2 413.231 3.746 20 5 HHBDLO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479357731 999401922 /nfs/dbraw/zinc/40/19/22/999401922.db2.gz IZSWFKZNXKTVMA-VHSXEESVSA-N 1 2 418.302 3.961 20 5 HHBDLO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000479442991 999419950 /nfs/dbraw/zinc/41/99/50/999419950.db2.gz FKPORAQPUGAVHT-LJQANCHMSA-N 1 2 419.934 3.697 20 5 HHBDLO CCOc1ccc([C@@H](C)[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000479500781 999446191 /nfs/dbraw/zinc/44/61/91/999446191.db2.gz JEDVYHQZWDJEAB-PIGZYNQJSA-N 1 2 422.279 3.633 20 5 HHBDLO CCc1ccc(C[NH+]2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3C)CC2)s1 ZINC000480054202 999703489 /nfs/dbraw/zinc/70/34/89/999703489.db2.gz IUKCZHVJCAGKCL-UHFFFAOYSA-N 1 2 402.520 3.555 20 5 HHBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000489206423 999722321 /nfs/dbraw/zinc/72/23/21/999722321.db2.gz PEVDJWPQJDOILX-FPOVZHCZSA-N 1 2 415.877 3.775 20 5 HHBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000489206423 999722323 /nfs/dbraw/zinc/72/23/23/999722323.db2.gz PEVDJWPQJDOILX-FPOVZHCZSA-N 1 2 415.877 3.775 20 5 HHBDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)no1 ZINC000480209234 999746096 /nfs/dbraw/zinc/74/60/96/999746096.db2.gz MHYUZACUCFTAJT-ZDUSSCGKSA-N 1 2 413.400 3.796 20 5 HHBDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)no1 ZINC000480209234 999746097 /nfs/dbraw/zinc/74/60/97/999746097.db2.gz MHYUZACUCFTAJT-ZDUSSCGKSA-N 1 2 413.400 3.796 20 5 HHBDLO COc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000489526366 999784370 /nfs/dbraw/zinc/78/43/70/999784370.db2.gz YERXSXLRWDCKRR-ZDUSSCGKSA-N 1 2 403.866 3.685 20 5 HHBDLO COc1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000489526366 999784372 /nfs/dbraw/zinc/78/43/72/999784372.db2.gz YERXSXLRWDCKRR-ZDUSSCGKSA-N 1 2 403.866 3.685 20 5 HHBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489711221 999822609 /nfs/dbraw/zinc/82/26/09/999822609.db2.gz SQTBUPMQIKCKQP-UHFFFAOYSA-N 1 2 405.458 3.714 20 5 HHBDLO CC[C@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000489889844 999856189 /nfs/dbraw/zinc/85/61/89/999856189.db2.gz PMIIXMWQCJQAON-FQEVSTJZSA-N 1 2 407.474 3.833 20 5 HHBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000489914910 999861515 /nfs/dbraw/zinc/86/15/15/999861515.db2.gz DMKREOOANIKXJI-VIFPVBQESA-N 1 2 411.365 3.747 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000489932084 999865241 /nfs/dbraw/zinc/86/52/41/999865241.db2.gz ZEDURNILRLDBGI-PKOBYXMFSA-N 1 2 418.444 3.853 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000489932084 999865243 /nfs/dbraw/zinc/86/52/43/999865243.db2.gz ZEDURNILRLDBGI-PKOBYXMFSA-N 1 2 418.444 3.853 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000489932082 999865293 /nfs/dbraw/zinc/86/52/93/999865293.db2.gz ZEDURNILRLDBGI-MJGOQNOKSA-N 1 2 418.444 3.853 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000489932082 999865294 /nfs/dbraw/zinc/86/52/94/999865294.db2.gz ZEDURNILRLDBGI-MJGOQNOKSA-N 1 2 418.444 3.853 20 5 HHBDLO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)c([N+](=O)[O-])c1 ZINC000490040586 999883120 /nfs/dbraw/zinc/88/31/20/999883120.db2.gz FABIUZIDTCZHRT-VIFPVBQESA-N 1 2 418.397 3.758 20 5 HHBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NCc1ccc(OC(F)(F)F)cc1 ZINC000490051260 999885431 /nfs/dbraw/zinc/88/54/31/999885431.db2.gz UUYPJMJBXBCTCL-UHFFFAOYSA-N 1 2 423.391 3.774 20 5 HHBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NCc1ccc(OC(F)(F)F)cc1 ZINC000490051260 999885432 /nfs/dbraw/zinc/88/54/32/999885432.db2.gz UUYPJMJBXBCTCL-UHFFFAOYSA-N 1 2 423.391 3.774 20 5 HHBDLO CO[C@H](C)c1nc(CN2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)CC2)cs1 ZINC000490569937 999978891 /nfs/dbraw/zinc/97/88/91/999978891.db2.gz RBFWEVORYFZXPV-CQSZACIVSA-N 1 2 408.499 3.606 20 5 HHBDLO CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)CC2)cs1 ZINC000490569937 999978892 /nfs/dbraw/zinc/97/88/92/999978892.db2.gz RBFWEVORYFZXPV-CQSZACIVSA-N 1 2 408.499 3.606 20 5 HHBDLO Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n[nH]1 ZINC000490820748 1000011760 /nfs/dbraw/zinc/01/17/60/1000011760.db2.gz NTRLPFMGHZNLLR-UHFFFAOYSA-N 1 2 420.473 3.600 20 5 HHBDLO Cc1nc(-c2ccc(C)cc2NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n[nH]1 ZINC000490820748 1000011761 /nfs/dbraw/zinc/01/17/61/1000011761.db2.gz NTRLPFMGHZNLLR-UHFFFAOYSA-N 1 2 420.473 3.600 20 5 HHBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N(Cc1ccco1)CC(F)(F)F ZINC000490824106 1000012131 /nfs/dbraw/zinc/01/21/31/1000012131.db2.gz HAXZHZRBXSOBHM-UHFFFAOYSA-N 1 2 411.380 3.743 20 5 HHBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N(Cc1ccco1)CC(F)(F)F ZINC000490824106 1000012133 /nfs/dbraw/zinc/01/21/33/1000012133.db2.gz HAXZHZRBXSOBHM-UHFFFAOYSA-N 1 2 411.380 3.743 20 5 HHBDLO COc1c(O)cccc1C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000491237819 1000057695 /nfs/dbraw/zinc/05/76/95/1000057695.db2.gz DQGRMYVKIXGXHJ-UHFFFAOYSA-N 1 2 411.380 3.650 20 5 HHBDLO COc1c(F)cc(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000491593571 1000087199 /nfs/dbraw/zinc/08/71/99/1000087199.db2.gz HGEBSADTJWACNQ-UHFFFAOYSA-N 1 2 417.418 3.533 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494244971 1000384291 /nfs/dbraw/zinc/38/42/91/1000384291.db2.gz NBFXGWSRSPZZBV-UHFFFAOYSA-N 1 2 415.309 3.812 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000494244971 1000384296 /nfs/dbraw/zinc/38/42/96/1000384296.db2.gz NBFXGWSRSPZZBV-UHFFFAOYSA-N 1 2 415.309 3.812 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000494246705 1000386196 /nfs/dbraw/zinc/38/61/96/1000386196.db2.gz DEKSVPOSWPFBCI-QUCCMNQESA-N 1 2 407.430 3.850 20 5 HHBDLO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494663656 1000594028 /nfs/dbraw/zinc/59/40/28/1000594028.db2.gz WKOFRUQXLDPYCV-AWEZNQCLSA-N 1 2 423.922 3.981 20 5 HHBDLO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494663656 1000594033 /nfs/dbraw/zinc/59/40/33/1000594033.db2.gz WKOFRUQXLDPYCV-AWEZNQCLSA-N 1 2 423.922 3.981 20 5 HHBDLO CC(C)CCSc1ccc(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000505580172 1000918675 /nfs/dbraw/zinc/91/86/75/1000918675.db2.gz WOHXYZJJDUAKHT-SFHVURJKSA-N 1 2 414.531 3.915 20 5 HHBDLO O=C(NCC1CC1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000506158162 1001254083 /nfs/dbraw/zinc/25/40/83/1001254083.db2.gz PBHKCZQNZWZZLY-UHFFFAOYSA-N 1 2 400.504 3.561 20 5 HHBDLO CCCOc1cccc2c(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)cc[nH+]c12 ZINC000497139596 1001274089 /nfs/dbraw/zinc/27/40/89/1001274089.db2.gz AXMSVKMVLADXIJ-UHFFFAOYSA-N 1 2 420.469 3.894 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(C4CC4)CC3)o2)c(Br)c1 ZINC000506439598 1001413150 /nfs/dbraw/zinc/41/31/50/1001413150.db2.gz PYTRXWIZAOGWQB-UHFFFAOYSA-N 1 2 406.280 3.897 20 5 HHBDLO COc1ccc(C(=O)C2CC[NH+](Cc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)cc1 ZINC000506688793 1001494510 /nfs/dbraw/zinc/49/45/10/1001494510.db2.gz QUYMYASMLJAOLW-UHFFFAOYSA-N 1 2 414.458 3.716 20 5 HHBDLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000506753400 1001514142 /nfs/dbraw/zinc/51/41/42/1001514142.db2.gz QWCJWRVYEWHPGD-LJQANCHMSA-N 1 2 414.458 3.583 20 5 HHBDLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000506753400 1001514146 /nfs/dbraw/zinc/51/41/46/1001514146.db2.gz QWCJWRVYEWHPGD-LJQANCHMSA-N 1 2 414.458 3.583 20 5 HHBDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000508335019 1002837403 /nfs/dbraw/zinc/83/74/03/1002837403.db2.gz UDKZXVKXBFJZSL-GOSISDBHSA-N 1 2 411.502 3.659 20 5 HHBDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000508335019 1002837416 /nfs/dbraw/zinc/83/74/16/1002837416.db2.gz UDKZXVKXBFJZSL-GOSISDBHSA-N 1 2 411.502 3.659 20 5 HHBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000499998740 1003317374 /nfs/dbraw/zinc/31/73/74/1003317374.db2.gz BFYAQKVJKYUVDA-UHFFFAOYSA-N 1 2 423.300 3.878 20 5 HHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000512584584 1004400962 /nfs/dbraw/zinc/40/09/62/1004400962.db2.gz WHYSMGIVJNCPIL-UHFFFAOYSA-N 1 2 408.805 3.872 20 5 HHBDLO COc1cc(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)c([N+](=O)[O-])cc1OC ZINC000510506682 1004629532 /nfs/dbraw/zinc/62/95/32/1004629532.db2.gz BMNWEQAWVWFSDP-UHFFFAOYSA-N 1 2 420.412 3.985 20 5 HHBDLO O=C(c1cccc(O)c1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000513122108 1004818554 /nfs/dbraw/zinc/81/85/54/1004818554.db2.gz LKQCMWZLBXEPBZ-UHFFFAOYSA-N 1 2 423.494 3.987 20 5 HHBDLO COc1cccc([C@H]2C[N@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000513410561 1004951007 /nfs/dbraw/zinc/95/10/07/1004951007.db2.gz DLAYSIMEHCEKLG-OAQYLSRUSA-N 1 2 408.458 3.577 20 5 HHBDLO COc1cccc([C@H]2C[N@@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000513410561 1004951010 /nfs/dbraw/zinc/95/10/10/1004951010.db2.gz DLAYSIMEHCEKLG-OAQYLSRUSA-N 1 2 408.458 3.577 20 5 HHBDLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000514081610 1005257363 /nfs/dbraw/zinc/25/73/63/1005257363.db2.gz CSECSXSUPSLEEW-CHWSQXEVSA-N 1 2 414.466 3.895 20 5 HHBDLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000514081610 1005257366 /nfs/dbraw/zinc/25/73/66/1005257366.db2.gz CSECSXSUPSLEEW-CHWSQXEVSA-N 1 2 414.466 3.895 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000511657456 1005264558 /nfs/dbraw/zinc/26/45/58/1005264558.db2.gz RNHVQIKXFLVBQR-UHFFFAOYSA-N 1 2 417.893 3.995 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000511657456 1005264563 /nfs/dbraw/zinc/26/45/63/1005264563.db2.gz RNHVQIKXFLVBQR-UHFFFAOYSA-N 1 2 417.893 3.995 20 5 HHBDLO O=c1ccccn1C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000503263330 1005379864 /nfs/dbraw/zinc/37/98/64/1005379864.db2.gz MLQJZIHFSJDZRF-OAQYLSRUSA-N 1 2 416.437 3.943 20 5 HHBDLO 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CCOc1ccc(NC(=O)C[NH+]2CCC(OCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000532740693 1007151307 /nfs/dbraw/zinc/15/13/07/1007151307.db2.gz POOCQTKYLBEAFW-UHFFFAOYSA-N 1 2 413.474 3.613 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000532852751 1007242610 /nfs/dbraw/zinc/24/26/10/1007242610.db2.gz WOQOAHLENCPAIW-ZWKOTPCHSA-N 1 2 406.845 3.632 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000532852751 1007242619 /nfs/dbraw/zinc/24/26/19/1007242619.db2.gz WOQOAHLENCPAIW-ZWKOTPCHSA-N 1 2 406.845 3.632 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000532926888 1007299272 /nfs/dbraw/zinc/29/92/72/1007299272.db2.gz DYHBGOJVKYBBNS-LPHOPBHVSA-N 1 2 424.284 3.739 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000532926888 1007299275 /nfs/dbraw/zinc/29/92/75/1007299275.db2.gz DYHBGOJVKYBBNS-LPHOPBHVSA-N 1 2 424.284 3.739 20 5 HHBDLO 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CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000533501122 1007811939 /nfs/dbraw/zinc/81/19/39/1007811939.db2.gz RRMLIFMLESMPDL-SFHVURJKSA-N 1 2 416.453 3.917 20 5 HHBDLO O=C(C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000533524778 1007845815 /nfs/dbraw/zinc/84/58/15/1007845815.db2.gz QDTHLYVPKWXPSZ-UHFFFAOYSA-N 1 2 413.865 3.943 20 5 HHBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000533530502 1007851716 /nfs/dbraw/zinc/85/17/16/1007851716.db2.gz MHORGZQXEVPACF-UHFFFAOYSA-N 1 2 405.454 3.585 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535867255 1007883381 /nfs/dbraw/zinc/88/33/81/1007883381.db2.gz OBOYFWJHPSXRQU-MSOLQXFVSA-N 1 2 406.845 3.632 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535867255 1007883398 /nfs/dbraw/zinc/88/33/98/1007883398.db2.gz OBOYFWJHPSXRQU-MSOLQXFVSA-N 1 2 406.845 3.632 20 5 HHBDLO CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000535887128 1007906311 /nfs/dbraw/zinc/90/63/11/1007906311.db2.gz BZSJIHMYHBDTTR-APWZRJJASA-N 1 2 421.856 3.961 20 5 HHBDLO CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000535887128 1007906315 /nfs/dbraw/zinc/90/63/15/1007906315.db2.gz BZSJIHMYHBDTTR-APWZRJJASA-N 1 2 421.856 3.961 20 5 HHBDLO C[C@H](Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000533789621 1008112546 /nfs/dbraw/zinc/11/25/46/1008112546.db2.gz UGRFWXPILWJEFR-HNNXBMFYSA-N 1 2 403.442 3.949 20 5 HHBDLO O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000518036422 1008118975 /nfs/dbraw/zinc/11/89/75/1008118975.db2.gz RPRQVQNLSLXJQW-UHFFFAOYSA-N 1 2 424.417 3.614 20 5 HHBDLO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](CC)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000540225909 1008343596 /nfs/dbraw/zinc/34/35/96/1008343596.db2.gz IRYPMBZQSGVREO-RHSMWYFYSA-N 1 2 423.876 3.628 20 5 HHBDLO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](CC)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000540225909 1008343598 /nfs/dbraw/zinc/34/35/98/1008343598.db2.gz IRYPMBZQSGVREO-RHSMWYFYSA-N 1 2 423.876 3.628 20 5 HHBDLO O=[N+]([O-])c1cc(Cl)ccc1-c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000518877071 1008456064 /nfs/dbraw/zinc/45/60/64/1008456064.db2.gz VKTNMXSTAPFFLH-UHFFFAOYSA-N 1 2 400.822 3.797 20 5 HHBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000518948378 1008483326 /nfs/dbraw/zinc/48/33/26/1008483326.db2.gz HFBNNOVKIMEUAI-UHFFFAOYSA-N 1 2 405.817 3.645 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)c1 ZINC000549099423 1008664339 /nfs/dbraw/zinc/66/43/39/1008664339.db2.gz AYKWRLFWDDZOJW-GJZGRUSLSA-N 1 2 421.494 3.740 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)c1 ZINC000549099423 1008664348 /nfs/dbraw/zinc/66/43/48/1008664348.db2.gz AYKWRLFWDDZOJW-GJZGRUSLSA-N 1 2 421.494 3.740 20 5 HHBDLO COc1cc(Cc2noc(/C=C\c3ccc(-n4cc[nH+]c4)cc3)n2)ccc1[N+](=O)[O-] ZINC000545779568 1008866340 /nfs/dbraw/zinc/86/63/40/1008866340.db2.gz JXRPEJAAUFESOL-UITAMQMPSA-N 1 2 403.398 3.933 20 5 HHBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000545932712 1009004762 /nfs/dbraw/zinc/00/47/62/1009004762.db2.gz LOJFSVDZIYHWDY-GTNSWQLSSA-N 1 2 414.384 3.731 20 5 HHBDLO CCc1nsc(N2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)n1 ZINC000549465756 1009057341 /nfs/dbraw/zinc/05/73/41/1009057341.db2.gz YPNMOEYBPKOYBP-UHFFFAOYSA-N 1 2 415.441 3.740 20 5 HHBDLO CCc1nsc(N2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)n1 ZINC000549465756 1009057349 /nfs/dbraw/zinc/05/73/49/1009057349.db2.gz YPNMOEYBPKOYBP-UHFFFAOYSA-N 1 2 415.441 3.740 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000549552646 1009169993 /nfs/dbraw/zinc/16/99/93/1009169993.db2.gz IHWBEYQCWZUZAK-ZDUSSCGKSA-N 1 2 404.492 3.934 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000549552646 1009170003 /nfs/dbraw/zinc/17/00/03/1009170003.db2.gz IHWBEYQCWZUZAK-ZDUSSCGKSA-N 1 2 404.492 3.934 20 5 HHBDLO COc1cc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1OCC(F)F ZINC000543702163 1009309197 /nfs/dbraw/zinc/30/91/97/1009309197.db2.gz QGRCJHFRKHWIIX-UHFFFAOYSA-N 1 2 424.400 3.651 20 5 HHBDLO COc1cc(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1OCC(F)F ZINC000543702163 1009309212 /nfs/dbraw/zinc/30/92/12/1009309212.db2.gz QGRCJHFRKHWIIX-UHFFFAOYSA-N 1 2 424.400 3.651 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543863877 1009431271 /nfs/dbraw/zinc/43/12/71/1009431271.db2.gz IHSPMFUQFWLSMX-AEFFLSMTSA-N 1 2 408.380 3.969 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543863877 1009431278 /nfs/dbraw/zinc/43/12/78/1009431278.db2.gz IHSPMFUQFWLSMX-AEFFLSMTSA-N 1 2 408.380 3.969 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543952974 1009553751 /nfs/dbraw/zinc/55/37/51/1009553751.db2.gz PWKJHDUJXUHKCL-LAUBAEHRSA-N 1 2 421.419 3.815 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543952974 1009553761 /nfs/dbraw/zinc/55/37/61/1009553761.db2.gz PWKJHDUJXUHKCL-LAUBAEHRSA-N 1 2 421.419 3.815 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000550011094 1009610013 /nfs/dbraw/zinc/61/00/13/1009610013.db2.gz NZSILFMVRLQDNB-SUMWQHHRSA-N 1 2 419.865 3.737 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000550011094 1009610021 /nfs/dbraw/zinc/61/00/21/1009610021.db2.gz NZSILFMVRLQDNB-SUMWQHHRSA-N 1 2 419.865 3.737 20 5 HHBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000544142064 1009750218 /nfs/dbraw/zinc/75/02/18/1009750218.db2.gz ISDVWAQXYRTXTE-SJLPKXTDSA-N 1 2 408.907 3.778 20 5 HHBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000544142064 1009750225 /nfs/dbraw/zinc/75/02/25/1009750225.db2.gz ISDVWAQXYRTXTE-SJLPKXTDSA-N 1 2 408.907 3.778 20 5 HHBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H](C)O1 ZINC000520971468 1010014825 /nfs/dbraw/zinc/01/48/25/1010014825.db2.gz VYSGGYABLWFYOQ-IRXDYDNUSA-N 1 2 422.485 3.797 20 5 HHBDLO COCCCCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000521207177 1010229212 /nfs/dbraw/zinc/22/92/12/1010229212.db2.gz UHIKWJGQRZLGQI-UHFFFAOYSA-N 1 2 417.531 3.784 20 5 HHBDLO Cc1cc(Br)cn2cc(CCNC(=O)Nc3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000545345480 1010740568 /nfs/dbraw/zinc/74/05/68/1010740568.db2.gz AGTXNNPKCYGWJG-UHFFFAOYSA-N 1 2 418.251 3.678 20 5 HHBDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522552524 1011076522 /nfs/dbraw/zinc/07/65/22/1011076522.db2.gz ONZORYWDSZAVRS-KRWDZBQOSA-N 1 2 403.910 3.971 20 5 HHBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)CC2)c1 ZINC000536115639 1011233131 /nfs/dbraw/zinc/23/31/31/1011233131.db2.gz ZGMXRFGGSNPPNW-MRXNPFEDSA-N 1 2 422.485 3.533 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000540618365 1011269915 /nfs/dbraw/zinc/26/99/15/1011269915.db2.gz JGHAQNHAXHUGDD-UHFFFAOYSA-N 1 2 410.430 3.586 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541163960 1011830755 /nfs/dbraw/zinc/83/07/55/1011830755.db2.gz BCILWTIEFRDELD-XLIONFOSSA-N 1 2 407.392 3.506 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541163960 1011830766 /nfs/dbraw/zinc/83/07/66/1011830766.db2.gz BCILWTIEFRDELD-XLIONFOSSA-N 1 2 407.392 3.506 20 5 HHBDLO O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000523431973 1011920383 /nfs/dbraw/zinc/92/03/83/1011920383.db2.gz AKPTWGCKABMTOK-UHFFFAOYSA-N 1 2 405.458 3.950 20 5 HHBDLO Cc1sc2nc(C[NH+]3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)nc(N)c2c1C ZINC000536754110 1011944544 /nfs/dbraw/zinc/94/45/44/1011944544.db2.gz JBSXPDNIFVGJGM-UHFFFAOYSA-N 1 2 413.503 3.842 20 5 HHBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ncc(-c2ccccc2)o1 ZINC000523545776 1012078675 /nfs/dbraw/zinc/07/86/75/1012078675.db2.gz RONARVSTDAQPIC-CQSZACIVSA-N 1 2 403.398 3.927 20 5 HHBDLO COc1ccc(-c2ccc(C[N@H+](C)CC(=O)NCc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000552073421 1012090048 /nfs/dbraw/zinc/09/00/48/1012090048.db2.gz BZBPMXXZTCKFLK-UHFFFAOYSA-N 1 2 409.442 3.612 20 5 HHBDLO COc1ccc(-c2ccc(C[N@@H+](C)CC(=O)NCc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000552073421 1012090063 /nfs/dbraw/zinc/09/00/63/1012090063.db2.gz BZBPMXXZTCKFLK-UHFFFAOYSA-N 1 2 409.442 3.612 20 5 HHBDLO COc1ccc(-c2ccc(CNc3ccc[nH+]c3N3CCC(O)CC3)o2)c([N+](=O)[O-])c1 ZINC000536891615 1012144657 /nfs/dbraw/zinc/14/46/57/1012144657.db2.gz IPCOCPVRFVRJLN-UHFFFAOYSA-N 1 2 424.457 3.832 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536912608 1012181667 /nfs/dbraw/zinc/18/16/67/1012181667.db2.gz XFOXWLUSUXQUDN-QUCCMNQESA-N 1 2 405.857 3.882 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536912608 1012181678 /nfs/dbraw/zinc/18/16/78/1012181678.db2.gz XFOXWLUSUXQUDN-QUCCMNQESA-N 1 2 405.857 3.882 20 5 HHBDLO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CC(=O)Nc4cc([N+](=O)[O-])ccc4C)C3)nc2c1 ZINC000537016970 1012318226 /nfs/dbraw/zinc/31/82/26/1012318226.db2.gz BVPYASDFFUAWGJ-MRXNPFEDSA-N 1 2 407.474 3.906 20 5 HHBDLO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CC(=O)Nc4cc([N+](=O)[O-])ccc4C)C3)nc2c1 ZINC000537016970 1012318240 /nfs/dbraw/zinc/31/82/40/1012318240.db2.gz BVPYASDFFUAWGJ-MRXNPFEDSA-N 1 2 407.474 3.906 20 5 HHBDLO Cc1ccc2nc([C@@H]3CCC[N@H+](CC(=O)Nc4cc([N+](=O)[O-])ccc4C)C3)[nH]c2c1 ZINC000537016970 1012318260 /nfs/dbraw/zinc/31/82/60/1012318260.db2.gz BVPYASDFFUAWGJ-MRXNPFEDSA-N 1 2 407.474 3.906 20 5 HHBDLO Cc1ccc2nc([C@@H]3CCC[N@@H+](CC(=O)Nc4cc([N+](=O)[O-])ccc4C)C3)[nH]c2c1 ZINC000537016970 1012318285 /nfs/dbraw/zinc/31/82/85/1012318285.db2.gz BVPYASDFFUAWGJ-MRXNPFEDSA-N 1 2 407.474 3.906 20 5 HHBDLO O=[N+]([O-])c1cccc2ncnc(N3CCc4c([nH+]cn4CCc4ccccc4)C3)c21 ZINC000541575903 1012365882 /nfs/dbraw/zinc/36/58/82/1012365882.db2.gz KELBFJWLEOHUKA-UHFFFAOYSA-N 1 2 400.442 3.540 20 5 HHBDLO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)ccc2NC1=O ZINC000537155141 1012550460 /nfs/dbraw/zinc/55/04/60/1012550460.db2.gz XBCLMSLQANANMH-YVEFUNNKSA-N 1 2 423.429 3.605 20 5 HHBDLO Cc1ccc(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)cc1[N+](=O)[O-] ZINC000729683922 1071805732 /nfs/dbraw/zinc/80/57/32/1071805732.db2.gz AVRJTAOGEAOOFZ-UHFFFAOYSA-N 1 2 402.252 3.536 20 5 HHBDLO CC(C)(C)OC(=O)C1(c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)CCC1 ZINC000904824600 1071902774 /nfs/dbraw/zinc/90/27/74/1071902774.db2.gz CBLPKMLFXBGWGX-UHFFFAOYSA-N 1 2 411.418 3.594 20 5 HHBDLO C[C@H](Nc1ccc(C(=O)N(C)CCCn2cc[nH+]c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000488244415 1072160090 /nfs/dbraw/zinc/16/00/90/1072160090.db2.gz CSIXGOKWPGFELT-INIZCTEOSA-N 1 2 408.462 3.522 20 5 HHBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000587045287 1072508447 /nfs/dbraw/zinc/50/84/47/1072508447.db2.gz LDVXEZHCHJNGND-OAHLLOKOSA-N 1 2 412.833 3.982 20 5 HHBDLO CCCCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1(C)C ZINC001126843147 1072720826 /nfs/dbraw/zinc/72/08/26/1072720826.db2.gz HIFUXJURDZEYHU-MOPGFXCFSA-N 1 2 400.479 3.836 20 5 HHBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000588936629 1073350596 /nfs/dbraw/zinc/35/05/96/1073350596.db2.gz FFSXQPBVHLYJOA-UHFFFAOYSA-N 1 2 418.444 3.576 20 5 HHBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)c2)CC1 ZINC000555458502 1073506067 /nfs/dbraw/zinc/50/60/67/1073506067.db2.gz KCBJXGGVILEEIM-UHFFFAOYSA-N 1 2 422.407 3.613 20 5 HHBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc([N+](=O)[O-])c2Br)c1C ZINC000760810092 1074148729 /nfs/dbraw/zinc/14/87/29/1074148729.db2.gz NRSYHHSFJKAQLZ-UHFFFAOYSA-N 1 2 408.252 3.650 20 5 HHBDLO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2[N+](=O)[O-])C1 ZINC000601540340 1075629801 /nfs/dbraw/zinc/62/98/01/1075629801.db2.gz CXWQGQKXMRKBMI-LJQANCHMSA-N 1 2 422.529 3.789 20 5 HHBDLO O=[N+]([O-])c1cncc(Br)c1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000301855727 971087248 /nfs/dbraw/zinc/08/72/48/971087248.db2.gz YXCRQEFHRFPUIP-UHFFFAOYSA-N 1 2 409.259 3.604 20 5 HHBDLO O=[N+]([O-])c1cncc(Br)c1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000301855727 971087256 /nfs/dbraw/zinc/08/72/56/971087256.db2.gz YXCRQEFHRFPUIP-UHFFFAOYSA-N 1 2 409.259 3.604 20 5 HHBDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000301899415 971105057 /nfs/dbraw/zinc/10/50/57/971105057.db2.gz TUQAJTFWLXAZOR-QZTJIDSGSA-N 1 2 406.826 3.640 20 5 HHBDLO C[N@H+]1CCO[C@@H]([C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000301899415 971105062 /nfs/dbraw/zinc/10/50/62/971105062.db2.gz TUQAJTFWLXAZOR-QZTJIDSGSA-N 1 2 406.826 3.640 20 5 HHBDLO CC[N@@H+]1CC[C@H](Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000302063142 971166101 /nfs/dbraw/zinc/16/61/01/971166101.db2.gz AEGPWXASDFFGDR-LPHOPBHVSA-N 1 2 422.407 3.619 20 5 HHBDLO CC[N@H+]1CC[C@H](Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000302063142 971166105 /nfs/dbraw/zinc/16/61/05/971166105.db2.gz AEGPWXASDFFGDR-LPHOPBHVSA-N 1 2 422.407 3.619 20 5 HHBDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)c2ccc(Cl)cc2)C1 ZINC000553116297 1013079029 /nfs/dbraw/zinc/07/90/29/1013079029.db2.gz SJIDUEAEVWSHNK-GDBMZVCRSA-N 1 2 419.894 3.737 20 5 HHBDLO C[N@H+]1CCO[C@@H]([C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)c2ccc(Cl)cc2)C1 ZINC000553116297 1013079046 /nfs/dbraw/zinc/07/90/46/1013079046.db2.gz SJIDUEAEVWSHNK-GDBMZVCRSA-N 1 2 419.894 3.737 20 5 HHBDLO Cc1c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cccc1C(=O)N1CCCC1 ZINC000303038230 971470765 /nfs/dbraw/zinc/47/07/65/971470765.db2.gz RMWUFWFNXOUZLF-UHFFFAOYSA-N 1 2 419.441 3.577 20 5 HHBDLO Cc1ccnc(-c2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cc2)n1 ZINC000303610052 971897401 /nfs/dbraw/zinc/89/74/01/971897401.db2.gz LFMHXBKWJKQHJA-UHFFFAOYSA-N 1 2 400.398 3.798 20 5 HHBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000542218336 1013167448 /nfs/dbraw/zinc/16/74/48/1013167448.db2.gz IWPKBCCFGCLBJR-UHFFFAOYSA-N 1 2 416.890 3.902 20 5 HHBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cc4c(cc3OC(F)F)OCO4)CC2)cc1 ZINC000537635743 1013190881 /nfs/dbraw/zinc/19/08/81/1013190881.db2.gz SFBUWBQFAXWWER-UHFFFAOYSA-N 1 2 422.384 3.968 20 5 HHBDLO COc1cc(C[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC(F)F ZINC000003540982 960540811 /nfs/dbraw/zinc/54/08/11/960540811.db2.gz GSLXTFCXBBZQKQ-UHFFFAOYSA-N 1 2 409.389 3.584 20 5 HHBDLO COc1cc(C[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC(F)F ZINC000003540982 960540831 /nfs/dbraw/zinc/54/08/31/960540831.db2.gz GSLXTFCXBBZQKQ-UHFFFAOYSA-N 1 2 409.389 3.584 20 5 HHBDLO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000007355451 961139310 /nfs/dbraw/zinc/13/93/10/961139310.db2.gz WEQSGSXHXVUXET-LJQANCHMSA-N 1 2 422.529 3.544 20 5 HHBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000014815013 962582374 /nfs/dbraw/zinc/58/23/74/962582374.db2.gz VKYZDNWXMJKDJL-UHFFFAOYSA-N 1 2 410.861 3.754 20 5 HHBDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c(OC)c1 ZINC000015366961 962738513 /nfs/dbraw/zinc/73/85/13/962738513.db2.gz BZZKPZBTARWQBL-LJQANCHMSA-N 1 2 400.431 3.816 20 5 HHBDLO COc1ccc([C@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c(OC)c1 ZINC000015366961 962738526 /nfs/dbraw/zinc/73/85/26/962738526.db2.gz BZZKPZBTARWQBL-LJQANCHMSA-N 1 2 400.431 3.816 20 5 HHBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(Cl)c4c(c3)OCCCO4)CC2)cc1 ZINC000017285598 963178124 /nfs/dbraw/zinc/17/81/24/963178124.db2.gz ZKQCPUIJSUXTMB-UHFFFAOYSA-N 1 2 403.866 3.732 20 5 HHBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000020543340 963390652 /nfs/dbraw/zinc/39/06/52/963390652.db2.gz FBMMVXCHXIMDJE-UHFFFAOYSA-N 1 2 408.380 3.963 20 5 HHBDLO C[C@H](c1nnc(Sc2ccc([N+](=O)[O-])cn2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000023616627 963862599 /nfs/dbraw/zinc/86/25/99/963862599.db2.gz TXCQKAOJNNGWMV-LLVKDONJSA-N 1 2 404.883 3.998 20 5 HHBDLO C[NH+](C)[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccsc1 ZINC000025331957 964244068 /nfs/dbraw/zinc/24/40/68/964244068.db2.gz SJBRXOPCBKGMSM-NRFANRHFSA-N 1 2 405.523 3.635 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050298805 964306203 /nfs/dbraw/zinc/30/62/03/964306203.db2.gz OCBOPOOWGIWSOB-UHFFFAOYSA-N 1 2 409.471 3.644 20 5 HHBDLO O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000542565966 1013507575 /nfs/dbraw/zinc/50/75/75/1013507575.db2.gz OCWGCIHACSVCBV-PXNSSMCTSA-N 1 2 410.405 3.570 20 5 HHBDLO COc1cc(CN2CC[NH+](Cc3ccsc3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000027373105 964865768 /nfs/dbraw/zinc/86/57/68/964865768.db2.gz AZLKLEBRAZRYPI-UHFFFAOYSA-N 1 2 413.446 3.584 20 5 HHBDLO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000052844706 964999404 /nfs/dbraw/zinc/99/94/04/964999404.db2.gz ZVPZJKFIGCWZLW-LPHOPBHVSA-N 1 2 414.531 3.531 20 5 HHBDLO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000053280307 965116808 /nfs/dbraw/zinc/11/68/08/965116808.db2.gz BIJXENRURKUUIN-MRXNPFEDSA-N 1 2 404.264 3.793 20 5 HHBDLO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000053280307 965116813 /nfs/dbraw/zinc/11/68/13/965116813.db2.gz BIJXENRURKUUIN-MRXNPFEDSA-N 1 2 404.264 3.793 20 5 HHBDLO C[C@H](c1nnc(Sc2c([N+](=O)[O-])ncn2C)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000029004882 965238557 /nfs/dbraw/zinc/23/85/57/965238557.db2.gz QDFDRECEHJXUAN-CQSZACIVSA-N 1 2 413.507 3.607 20 5 HHBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030217542 965635037 /nfs/dbraw/zinc/63/50/37/965635037.db2.gz BPSYUGDIJZPDKO-UHFFFAOYSA-N 1 2 422.488 3.716 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538023274 1013594003 /nfs/dbraw/zinc/59/40/03/1013594003.db2.gz YZCRPRNFNLVGEK-QZTJIDSGSA-N 1 2 406.845 3.656 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538023274 1013594009 /nfs/dbraw/zinc/59/40/09/1013594009.db2.gz YZCRPRNFNLVGEK-QZTJIDSGSA-N 1 2 406.845 3.656 20 5 HHBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H](C)O1 ZINC000058425119 965727337 /nfs/dbraw/zinc/72/73/37/965727337.db2.gz XPEWTERDZYGMQR-GASCZTMLSA-N 1 2 408.458 3.938 20 5 HHBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H](C)O1 ZINC000058425119 965727349 /nfs/dbraw/zinc/72/73/49/965727349.db2.gz XPEWTERDZYGMQR-GASCZTMLSA-N 1 2 408.458 3.938 20 5 HHBDLO O=C(C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000059958661 966046060 /nfs/dbraw/zinc/04/60/60/966046060.db2.gz PDZOOOOEHYUCCV-QGZVFWFLSA-N 1 2 403.866 3.868 20 5 HHBDLO O=C(C[N@H+](Cc1ccccc1)C[C@H]1CCCO1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000059958661 966046073 /nfs/dbraw/zinc/04/60/73/966046073.db2.gz PDZOOOOEHYUCCV-QGZVFWFLSA-N 1 2 403.866 3.868 20 5 HHBDLO CN(CCCOc1ccc(Cl)cc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055851674 966098633 /nfs/dbraw/zinc/09/86/33/966098633.db2.gz CUMLMHUEDLCHHB-UHFFFAOYSA-N 1 2 414.849 3.975 20 5 HHBDLO O=C(C[N@@H+]1CC[C@@H](Nc2ccccc2)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000060370004 966117037 /nfs/dbraw/zinc/11/70/37/966117037.db2.gz JRHNHXYCVVOJRR-QGZVFWFLSA-N 1 2 423.498 3.843 20 5 HHBDLO O=C(C[N@H+]1CC[C@@H](Nc2ccccc2)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000060370004 966117043 /nfs/dbraw/zinc/11/70/43/966117043.db2.gz JRHNHXYCVVOJRR-QGZVFWFLSA-N 1 2 423.498 3.843 20 5 HHBDLO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031890136 966145916 /nfs/dbraw/zinc/14/59/16/966145916.db2.gz KSMMGLUYTKODNU-SFHVURJKSA-N 1 2 421.856 3.719 20 5 HHBDLO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031890131 966145954 /nfs/dbraw/zinc/14/59/54/966145954.db2.gz KSMMGLUYTKODNU-GOSISDBHSA-N 1 2 421.856 3.719 20 5 HHBDLO CC(C)NC(=O)Nc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000032140789 966194739 /nfs/dbraw/zinc/19/47/39/966194739.db2.gz XEPAVZRKUNXXAY-UHFFFAOYSA-N 1 2 408.418 3.563 20 5 HHBDLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000043341835 966955816 /nfs/dbraw/zinc/95/58/16/966955816.db2.gz RARPZIBSVZZSSZ-UHFFFAOYSA-N 1 2 418.881 3.997 20 5 HHBDLO O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000046500872 967829626 /nfs/dbraw/zinc/82/96/26/967829626.db2.gz YJGDNINYSGKIDF-GOSISDBHSA-N 1 2 408.414 3.591 20 5 HHBDLO CCOCCOCc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000046684799 967920224 /nfs/dbraw/zinc/92/02/24/967920224.db2.gz MHNNMPQMZZWYRB-UHFFFAOYSA-N 1 2 410.430 3.586 20 5 HHBDLO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744754 968295376 /nfs/dbraw/zinc/29/53/76/968295376.db2.gz KBFOSROMFBZJRI-LJQANCHMSA-N 1 2 410.518 3.543 20 5 HHBDLO CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)[NH+]1CCOCC1 ZINC000538248006 1013793375 /nfs/dbraw/zinc/79/33/75/1013793375.db2.gz XBYAPNIJBFSXER-QGZVFWFLSA-N 1 2 409.552 3.572 20 5 HHBDLO CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C)c1 ZINC000066035358 968776361 /nfs/dbraw/zinc/77/63/61/968776361.db2.gz SYADOBOEYXCPMF-OAHLLOKOSA-N 1 2 421.457 3.870 20 5 HHBDLO Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(OC[C@H]2CCCO2)c1 ZINC000072021850 968937911 /nfs/dbraw/zinc/93/79/11/968937911.db2.gz KEKCDXGXMHQVND-QGZVFWFLSA-N 1 2 422.441 3.899 20 5 HHBDLO O=[N+]([O-])c1cccc(OC[C@H](O)Cn2c3ccccc3[nH+]c2NCc2ccccc2)c1 ZINC000096948531 969060601 /nfs/dbraw/zinc/06/06/01/969060601.db2.gz WQKBJGCWCCYMEV-LJQANCHMSA-N 1 2 418.453 3.997 20 5 HHBDLO CC(C)COC(=O)N1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000110188807 969634901 /nfs/dbraw/zinc/63/49/01/969634901.db2.gz NIMLFJGURZIOFA-HNNXBMFYSA-N 1 2 417.466 3.506 20 5 HHBDLO CC(C)COC(=O)N1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000110188807 969634907 /nfs/dbraw/zinc/63/49/07/969634907.db2.gz NIMLFJGURZIOFA-HNNXBMFYSA-N 1 2 417.466 3.506 20 5 HHBDLO COc1ccc([C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c2ccc(F)cc2)cc1 ZINC000149859047 970413872 /nfs/dbraw/zinc/41/38/72/970413872.db2.gz FJFVHTYXONCHTL-OAQYLSRUSA-N 1 2 409.417 3.721 20 5 HHBDLO Cn1ccnc1C(=O)c1ccc(NCc2cc[nH+]c(N3CCCCC3)c2)c([N+](=O)[O-])c1 ZINC000301058499 970727144 /nfs/dbraw/zinc/72/71/44/970727144.db2.gz ASWUTESQIDBGRX-UHFFFAOYSA-N 1 2 420.473 3.557 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000426884087 974730124 /nfs/dbraw/zinc/73/01/24/974730124.db2.gz WQKUGXYMYOVUQL-ZWKOTPCHSA-N 1 2 410.474 3.925 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000426884084 974730188 /nfs/dbraw/zinc/73/01/88/974730188.db2.gz WQKUGXYMYOVUQL-MSOLQXFVSA-N 1 2 410.474 3.925 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(c2ncccc2Cl)CC1 ZINC000429255522 976543246 /nfs/dbraw/zinc/54/32/46/976543246.db2.gz NFQMAVWSEWQSLB-UHFFFAOYSA-N 1 2 411.849 3.849 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000429282551 976566377 /nfs/dbraw/zinc/56/63/77/976566377.db2.gz CIHPJICFBZSWPH-UHFFFAOYSA-N 1 2 420.469 3.682 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000429282551 976566387 /nfs/dbraw/zinc/56/63/87/976566387.db2.gz CIHPJICFBZSWPH-UHFFFAOYSA-N 1 2 420.469 3.682 20 5 HHBDLO COc1ccc(NC(=O)C[N@H+](CCc2ccccc2)Cc2cccnc2)c([N+](=O)[O-])c1 ZINC000429305734 976579349 /nfs/dbraw/zinc/57/93/49/976579349.db2.gz GNYLZJFKDLRQCH-UHFFFAOYSA-N 1 2 420.469 3.682 20 5 HHBDLO COc1ccc(NC(=O)C[N@@H+](CCc2ccccc2)Cc2cccnc2)c([N+](=O)[O-])c1 ZINC000429305734 976579357 /nfs/dbraw/zinc/57/93/57/976579357.db2.gz GNYLZJFKDLRQCH-UHFFFAOYSA-N 1 2 420.469 3.682 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430051352 977298648 /nfs/dbraw/zinc/29/86/48/977298648.db2.gz LTMOTHYRFOBRFN-UHFFFAOYSA-N 1 2 419.279 3.673 20 5 HHBDLO Cc1noc(C[C@@H]([NH2+][C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc2)n1 ZINC000431190820 978085388 /nfs/dbraw/zinc/08/53/88/978085388.db2.gz CHWSNVIUJQZGOM-SCLBCKFNSA-N 1 2 420.429 3.971 20 5 HHBDLO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000432938632 979016543 /nfs/dbraw/zinc/01/65/43/979016543.db2.gz NZYKQYUITCJWCN-LLVKDONJSA-N 1 2 404.295 3.697 20 5 HHBDLO O=C(NCCCCNc1cccc[nH+]1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436423371 981360150 /nfs/dbraw/zinc/36/01/50/981360150.db2.gz SIRXYBGHKROROS-UHFFFAOYSA-N 1 2 404.445 3.838 20 5 HHBDLO Cc1ccccc1[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000460380648 982159412 /nfs/dbraw/zinc/15/94/12/982159412.db2.gz ABAGSIMHJLBMFD-IIBYNOLFSA-N 1 2 406.442 3.691 20 5 HHBDLO C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)Oc1ccccc1Cl ZINC000460424193 982212586 /nfs/dbraw/zinc/21/25/86/982212586.db2.gz JIYRSMCRXKWMMX-ZDUSSCGKSA-N 1 2 400.822 3.631 20 5 HHBDLO CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)n2)cc1 ZINC000440490958 983775233 /nfs/dbraw/zinc/77/52/33/983775233.db2.gz HVJQKMWEUQDWPG-KRWDZBQOSA-N 1 2 408.462 3.850 20 5 HHBDLO CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)n2)cc1 ZINC000440490958 983775237 /nfs/dbraw/zinc/77/52/37/983775237.db2.gz HVJQKMWEUQDWPG-KRWDZBQOSA-N 1 2 408.462 3.850 20 5 HHBDLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440499835 983777373 /nfs/dbraw/zinc/77/73/73/983777373.db2.gz ASSQGSLKSAVLBP-YPMHNXCESA-N 1 2 424.288 3.810 20 5 HHBDLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440499835 983777375 /nfs/dbraw/zinc/77/73/75/983777375.db2.gz ASSQGSLKSAVLBP-YPMHNXCESA-N 1 2 424.288 3.810 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440542675 983789949 /nfs/dbraw/zinc/78/99/49/983789949.db2.gz FIFVLCAGCQPTHE-CPBBTPEFSA-N 1 2 417.506 3.600 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440542675 983789952 /nfs/dbraw/zinc/78/99/52/983789952.db2.gz FIFVLCAGCQPTHE-CPBBTPEFSA-N 1 2 417.506 3.600 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](CCCO)Cc3cccc(Cl)c3)n2)c1 ZINC000441071859 984055409 /nfs/dbraw/zinc/05/54/09/984055409.db2.gz ZQSPIKLHIGSKCL-UHFFFAOYSA-N 1 2 402.838 3.683 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](CCCO)Cc3cccc(Cl)c3)n2)c1 ZINC000441071859 984055414 /nfs/dbraw/zinc/05/54/14/984055414.db2.gz ZQSPIKLHIGSKCL-UHFFFAOYSA-N 1 2 402.838 3.683 20 5 HHBDLO CN(C(=O)C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000441077899 984058299 /nfs/dbraw/zinc/05/82/99/984058299.db2.gz ZXXHBXOMQZEVMI-OAQYLSRUSA-N 1 2 410.861 3.985 20 5 HHBDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000442577323 985064594 /nfs/dbraw/zinc/06/45/94/985064594.db2.gz FCYLNXGTJUWVIA-HNNXBMFYSA-N 1 2 416.453 3.871 20 5 HHBDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000442577323 985064604 /nfs/dbraw/zinc/06/46/04/985064604.db2.gz FCYLNXGTJUWVIA-HNNXBMFYSA-N 1 2 416.453 3.871 20 5 HHBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC2)c1 ZINC000462389860 985370050 /nfs/dbraw/zinc/37/00/50/985370050.db2.gz OSQQNVUVOMBZFK-UHFFFAOYSA-N 1 2 418.291 3.624 20 5 HHBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCCC3)c2)nc1OCc1ccccc1 ZINC000462482691 985438931 /nfs/dbraw/zinc/43/89/31/985438931.db2.gz IDVCSJAHCQHJRM-UHFFFAOYSA-N 1 2 405.458 4.176 20 5 HHBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000462722022 985668684 /nfs/dbraw/zinc/66/86/84/985668684.db2.gz OGPMXMHKWUDQTE-CQSZACIVSA-N 1 2 422.938 3.941 20 5 HHBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+]([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000462906872 985837420 /nfs/dbraw/zinc/83/74/20/985837420.db2.gz QIDUSPHYVNVTAS-AWEZNQCLSA-N 1 2 405.296 3.944 20 5 HHBDLO CCOc1cc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c([N+](=O)[O-])cc1OC ZINC000463036455 985995997 /nfs/dbraw/zinc/99/59/97/985995997.db2.gz RMQJWYUGGZKJFQ-AWEZNQCLSA-N 1 2 419.503 3.583 20 5 HHBDLO COc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000443913001 986113366 /nfs/dbraw/zinc/11/33/66/986113366.db2.gz IWARDEPZHRXPDV-UHFFFAOYSA-N 1 2 403.866 3.605 20 5 HHBDLO COc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000443913001 986113374 /nfs/dbraw/zinc/11/33/74/986113374.db2.gz IWARDEPZHRXPDV-UHFFFAOYSA-N 1 2 403.866 3.605 20 5 HHBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000463166837 986138666 /nfs/dbraw/zinc/13/86/66/986138666.db2.gz CWQAYCLCQRJLKY-INIZCTEOSA-N 1 2 402.520 3.754 20 5 HHBDLO COc1cccc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000443944574 986153042 /nfs/dbraw/zinc/15/30/42/986153042.db2.gz HCONNDAXROWPDF-MRXNPFEDSA-N 1 2 421.856 3.963 20 5 HHBDLO Cc1ccc(S(=O)(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)cc1[N+](=O)[O-] ZINC000444030666 986226769 /nfs/dbraw/zinc/22/67/69/986226769.db2.gz LIRLQWWXTGUXIO-UHFFFAOYSA-N 1 2 421.544 3.561 20 5 HHBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444037392 986235027 /nfs/dbraw/zinc/23/50/27/986235027.db2.gz MZZHIPJKFBCZMQ-UHFFFAOYSA-N 1 2 412.424 3.936 20 5 HHBDLO C[C@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C[C@H]1n1cc[nH+]c1 ZINC000444227494 986414297 /nfs/dbraw/zinc/41/42/97/986414297.db2.gz QNYPYNOCMMATOP-RNODOKPDSA-N 1 2 422.435 3.879 20 5 HHBDLO O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000444230591 986418005 /nfs/dbraw/zinc/41/80/05/986418005.db2.gz YWKQGFIIAXHWGR-HNNXBMFYSA-N 1 2 403.413 3.509 20 5 HHBDLO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 ZINC000444367588 986545281 /nfs/dbraw/zinc/54/52/81/986545281.db2.gz GRQDKCLHAOSBDS-UHFFFAOYSA-N 1 2 408.458 3.660 20 5 HHBDLO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 ZINC000444367588 986545288 /nfs/dbraw/zinc/54/52/88/986545288.db2.gz GRQDKCLHAOSBDS-UHFFFAOYSA-N 1 2 408.458 3.660 20 5 HHBDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000444556735 986749116 /nfs/dbraw/zinc/74/91/16/986749116.db2.gz ZXUZXKXXDPHRRY-UHFFFAOYSA-N 1 2 402.414 3.923 20 5 HHBDLO CCC(CC)[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[NH+]1CCOCC1 ZINC000444863422 987019680 /nfs/dbraw/zinc/01/96/80/987019680.db2.gz YMIFOKIYIGPBAI-JOCHJYFZSA-N 1 2 421.541 3.548 20 5 HHBDLO COc1cc(CNC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c([N+](=O)[O-])cc1O ZINC000469557440 987227870 /nfs/dbraw/zinc/22/78/70/987227870.db2.gz XPXKORMTXHUFRJ-MRXNPFEDSA-N 1 2 413.396 3.720 20 5 HHBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)c2ncccc12 ZINC000464207945 988326056 /nfs/dbraw/zinc/32/60/56/988326056.db2.gz OKIDMWULWCAJKN-UHFFFAOYSA-N 1 2 420.450 3.934 20 5 HHBDLO O=C(NCC1(CCOCc2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000471568068 989769029 /nfs/dbraw/zinc/76/90/29/989769029.db2.gz ZVVNBOOLOYYQHF-UHFFFAOYSA-N 1 2 420.469 3.897 20 5 HHBDLO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000471607987 989812665 /nfs/dbraw/zinc/81/26/65/989812665.db2.gz ANELRDQYLSDWGR-APWZRJJASA-N 1 2 407.474 3.793 20 5 HHBDLO CCS(=O)(=O)c1cccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000466413744 991705332 /nfs/dbraw/zinc/70/53/32/991705332.db2.gz KQFKGHVNAUKTSO-UHFFFAOYSA-N 1 2 417.512 3.802 20 5 HHBDLO COCc1ccc([C@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000467122057 992436507 /nfs/dbraw/zinc/43/65/07/992436507.db2.gz JKARXSHHTDNVEW-CXAGYDPISA-N 1 2 403.435 3.507 20 5 HHBDLO COCc1ccc([C@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000467122057 992436510 /nfs/dbraw/zinc/43/65/10/992436510.db2.gz JKARXSHHTDNVEW-CXAGYDPISA-N 1 2 403.435 3.507 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCc2c([nH]c3c2cccc3F)C1 ZINC000467803385 993037556 /nfs/dbraw/zinc/03/75/56/993037556.db2.gz QKFKHGQFEVNUMA-UHFFFAOYSA-N 1 2 419.416 3.990 20 5 HHBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000473195847 994058940 /nfs/dbraw/zinc/05/89/40/994058940.db2.gz MBNUTUQWOQDUHR-MRXNPFEDSA-N 1 2 413.421 3.565 20 5 HHBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000473195847 994058946 /nfs/dbraw/zinc/05/89/46/994058946.db2.gz MBNUTUQWOQDUHR-MRXNPFEDSA-N 1 2 413.421 3.565 20 5 HHBDLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000481475647 994309613 /nfs/dbraw/zinc/30/96/13/994309613.db2.gz DDZGQYLMYTXDOX-UHFFFAOYSA-N 1 2 402.414 3.923 20 5 HHBDLO Cc1cc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000473767549 994685786 /nfs/dbraw/zinc/68/57/86/994685786.db2.gz USOJYYBLOWMGTA-RBUKOAKNSA-N 1 2 418.881 3.750 20 5 HHBDLO Cc1cc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000473767549 994685791 /nfs/dbraw/zinc/68/57/91/994685791.db2.gz USOJYYBLOWMGTA-RBUKOAKNSA-N 1 2 418.881 3.750 20 5 HHBDLO COc1c(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000474792661 995713046 /nfs/dbraw/zinc/71/30/46/995713046.db2.gz MKVOAJNZDGBDEB-KRWDZBQOSA-N 1 2 421.856 3.963 20 5 HHBDLO COc1cc([N+](=O)[O-])c(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1SC ZINC000482879061 995812063 /nfs/dbraw/zinc/81/20/63/995812063.db2.gz PPHHSRFZJCAJFN-UHFFFAOYSA-N 1 2 416.503 3.641 20 5 HHBDLO Cc1ccncc1C[N@@H+](C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000483046110 995939255 /nfs/dbraw/zinc/93/92/55/995939255.db2.gz VMEXJZVUNGTKJM-CQSZACIVSA-N 1 2 411.487 3.881 20 5 HHBDLO Cc1ccncc1C[N@H+](C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000483046110 995939261 /nfs/dbraw/zinc/93/92/61/995939261.db2.gz VMEXJZVUNGTKJM-CQSZACIVSA-N 1 2 411.487 3.881 20 5 HHBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000483244409 996057437 /nfs/dbraw/zinc/05/74/37/996057437.db2.gz NUTXJQBFRJSMGS-CQSZACIVSA-N 1 2 411.487 3.547 20 5 HHBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000483244408 996057525 /nfs/dbraw/zinc/05/75/25/996057525.db2.gz NUTXJQBFRJSMGS-AWEZNQCLSA-N 1 2 411.487 3.547 20 5 HHBDLO CC(C)c1ccc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000475426537 996130841 /nfs/dbraw/zinc/13/08/41/996130841.db2.gz BGOXOEUJBNFAGB-QGZVFWFLSA-N 1 2 406.280 3.797 20 5 HHBDLO COc1c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000476463664 996938875 /nfs/dbraw/zinc/93/88/75/996938875.db2.gz SJRLJULGDPBZNG-RDJZCZTQSA-N 1 2 407.829 3.571 20 5 HHBDLO COc1c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000476463664 996938882 /nfs/dbraw/zinc/93/88/82/996938882.db2.gz SJRLJULGDPBZNG-RDJZCZTQSA-N 1 2 407.829 3.571 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000477289166 997973725 /nfs/dbraw/zinc/97/37/25/997973725.db2.gz LFHGODZNRXUKFQ-UHFFFAOYSA-N 1 2 416.441 3.677 20 5 HHBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cccc(SC)c3[N+](=O)[O-])CC2)s1 ZINC000486220244 998656715 /nfs/dbraw/zinc/65/67/15/998656715.db2.gz GIPVBUICOZIYNB-UHFFFAOYSA-N 1 2 405.545 3.899 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCCc3nc(CC)sc32)c([N+](=O)[O-])c1 ZINC000478047513 998734366 /nfs/dbraw/zinc/73/43/66/998734366.db2.gz QPOJYMXZEPPQIH-MRXNPFEDSA-N 1 2 418.519 3.960 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCCc3nc(CC)sc32)c([N+](=O)[O-])c1 ZINC000478047513 998734372 /nfs/dbraw/zinc/73/43/72/998734372.db2.gz QPOJYMXZEPPQIH-MRXNPFEDSA-N 1 2 418.519 3.960 20 5 HHBDLO CC(C)(CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[NH+]1CCOCC1 ZINC000486459304 998779580 /nfs/dbraw/zinc/77/95/80/998779580.db2.gz KSTIRNVHKZEJSU-UHFFFAOYSA-N 1 2 415.515 3.587 20 5 HHBDLO O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000478186903 998811600 /nfs/dbraw/zinc/81/16/00/998811600.db2.gz UBUXFSVFXMPMOK-JKSUJKDBSA-N 1 2 414.368 3.668 20 5 HHBDLO COc1cc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc([N+](=O)[O-])c1C ZINC000478343881 998903814 /nfs/dbraw/zinc/90/38/14/998903814.db2.gz PBXUXDNIYWQWSL-LJQANCHMSA-N 1 2 408.458 3.896 20 5 HHBDLO Cc1c(CNC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cccc1[N+](=O)[O-] ZINC000478672941 999081391 /nfs/dbraw/zinc/08/13/91/999081391.db2.gz YFZPUYYLVCIUCA-INIZCTEOSA-N 1 2 418.444 3.645 20 5 HHBDLO Cc1c(CNC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cccc1[N+](=O)[O-] ZINC000478672941 999081395 /nfs/dbraw/zinc/08/13/95/999081395.db2.gz YFZPUYYLVCIUCA-INIZCTEOSA-N 1 2 418.444 3.645 20 5 HHBDLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H](C)O1 ZINC000479726198 999557721 /nfs/dbraw/zinc/55/77/21/999557721.db2.gz GTVQEXBTIPWTPQ-VBQJREDUSA-N 1 2 403.504 3.523 20 5 HHBDLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H](C)O1 ZINC000479726198 999557723 /nfs/dbraw/zinc/55/77/23/999557723.db2.gz GTVQEXBTIPWTPQ-VBQJREDUSA-N 1 2 403.504 3.523 20 5 HHBDLO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000479788140 999593575 /nfs/dbraw/zinc/59/35/75/999593575.db2.gz XUOSSGNEGYVLHJ-NXXSPTCGSA-N 1 2 404.417 3.679 20 5 HHBDLO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000479788140 999593588 /nfs/dbraw/zinc/59/35/88/999593588.db2.gz XUOSSGNEGYVLHJ-NXXSPTCGSA-N 1 2 404.417 3.679 20 5 HHBDLO COc1cccc(C2=CC[N@@H+]([C@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])CC2)c1 ZINC000479966330 999667270 /nfs/dbraw/zinc/66/72/70/999667270.db2.gz OBSXBMROVKPLFV-OAHLLOKOSA-N 1 2 411.458 3.728 20 5 HHBDLO COc1cccc(C2=CC[N@H+]([C@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])CC2)c1 ZINC000479966330 999667271 /nfs/dbraw/zinc/66/72/71/999667271.db2.gz OBSXBMROVKPLFV-OAHLLOKOSA-N 1 2 411.458 3.728 20 5 HHBDLO Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(Cl)c1 ZINC000489010030 999671104 /nfs/dbraw/zinc/67/11/04/999671104.db2.gz JBVPJSKMVVYLCV-CQSZACIVSA-N 1 2 405.886 3.726 20 5 HHBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000489095210 999697666 /nfs/dbraw/zinc/69/76/66/999697666.db2.gz ANFLQPRQXXXOAU-OAHLLOKOSA-N 1 2 400.504 3.747 20 5 HHBDLO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nc(C(F)(F)F)cs1 ZINC000490047369 999884585 /nfs/dbraw/zinc/88/45/85/999884585.db2.gz SMVBKOQEYUTWMO-CABZTGNLSA-N 1 2 400.382 3.526 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)c([N+](=O)[O-])c1 ZINC000490050468 999885231 /nfs/dbraw/zinc/88/52/31/999885231.db2.gz ZOVFRWPRJZBSSS-DTWKUNHWSA-N 1 2 418.397 3.757 20 5 HHBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)c(Cl)c1 ZINC000492194959 1000114695 /nfs/dbraw/zinc/11/46/95/1000114695.db2.gz UGCFOPJJGGMCPW-HNNXBMFYSA-N 1 2 403.635 3.973 20 5 HHBDLO CCOc1cc(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000492465886 1000128338 /nfs/dbraw/zinc/12/83/38/1000128338.db2.gz WWOMLURSNBWFKI-UHFFFAOYSA-N 1 2 417.893 3.995 20 5 HHBDLO CCOc1cc(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000492465886 1000128340 /nfs/dbraw/zinc/12/83/40/1000128340.db2.gz WWOMLURSNBWFKI-UHFFFAOYSA-N 1 2 417.893 3.995 20 5 HHBDLO Cc1cc(C)c(S(=O)(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1[N+](=O)[O-] ZINC000493283781 1000167514 /nfs/dbraw/zinc/16/75/14/1000167514.db2.gz WCACZCDLIIXZSH-UHFFFAOYSA-N 1 2 421.544 3.561 20 5 HHBDLO C[C@@](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)(c1ccccc1)C(F)(F)F ZINC000504549553 1000264668 /nfs/dbraw/zinc/26/46/68/1000264668.db2.gz VHWOAFFFDKXURY-GOSISDBHSA-N 1 2 404.348 3.988 20 5 HHBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000494188014 1000351347 /nfs/dbraw/zinc/35/13/47/1000351347.db2.gz GHOYZRJFRDMURK-UHFFFAOYSA-N 1 2 420.469 3.679 20 5 HHBDLO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000505461169 1000789830 /nfs/dbraw/zinc/78/98/30/1000789830.db2.gz QCIHPVDFSUUCQW-FQEVSTJZSA-N 1 2 403.442 3.520 20 5 HHBDLO Cc1c(Br)cc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000505542723 1000890177 /nfs/dbraw/zinc/89/01/77/1000890177.db2.gz LLGNMVUDPBYPIE-MRXNPFEDSA-N 1 2 422.254 3.592 20 5 HHBDLO O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000505548369 1000894100 /nfs/dbraw/zinc/89/41/00/1000894100.db2.gz AURAGWJZIFAZEG-OAQYLSRUSA-N 1 2 420.494 3.928 20 5 HHBDLO CC[C@@]1(O)CC[N@@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000495209957 1000915240 /nfs/dbraw/zinc/91/52/40/1000915240.db2.gz CNYUPHLQFKQCQC-AZUAARDMSA-N 1 2 403.866 3.775 20 5 HHBDLO CC[C@@]1(O)CC[N@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000495209957 1000915247 /nfs/dbraw/zinc/91/52/47/1000915247.db2.gz CNYUPHLQFKQCQC-AZUAARDMSA-N 1 2 403.866 3.775 20 5 HHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505883959 1001079370 /nfs/dbraw/zinc/07/93/70/1001079370.db2.gz FEKGEUOKQVVKKA-HUUCEWRRSA-N 1 2 403.866 3.976 20 5 HHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505883959 1001079377 /nfs/dbraw/zinc/07/93/77/1001079377.db2.gz FEKGEUOKQVVKKA-HUUCEWRRSA-N 1 2 403.866 3.976 20 5 HHBDLO COc1ccc(C[N@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC(F)F ZINC000506206437 1001278471 /nfs/dbraw/zinc/27/84/71/1001278471.db2.gz ORAFWGHJHBYPAV-UHFFFAOYSA-N 1 2 412.389 3.854 20 5 HHBDLO COc1ccc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC(F)F ZINC000506206437 1001278473 /nfs/dbraw/zinc/27/84/73/1001278473.db2.gz ORAFWGHJHBYPAV-UHFFFAOYSA-N 1 2 412.389 3.854 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000497469914 1001383542 /nfs/dbraw/zinc/38/35/42/1001383542.db2.gz OUGRTZRGQHYMIB-HKUYNNGSSA-N 1 2 409.820 3.631 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000497469914 1001383549 /nfs/dbraw/zinc/38/35/49/1001383549.db2.gz OUGRTZRGQHYMIB-HKUYNNGSSA-N 1 2 409.820 3.631 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1ccc(F)c(F)c1 ZINC000497485826 1001393882 /nfs/dbraw/zinc/39/38/82/1001393882.db2.gz KZNWBAHQZUYAMG-QFBILLFUSA-N 1 2 401.369 3.794 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1ccc(F)c(F)c1 ZINC000497485826 1001393888 /nfs/dbraw/zinc/39/38/88/1001393888.db2.gz KZNWBAHQZUYAMG-QFBILLFUSA-N 1 2 401.369 3.794 20 5 HHBDLO CSc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000497487887 1001395089 /nfs/dbraw/zinc/39/50/89/1001395089.db2.gz HVGBWJURIHDILB-CRAIPNDOSA-N 1 2 407.442 3.770 20 5 HHBDLO CSc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000497487887 1001395094 /nfs/dbraw/zinc/39/50/94/1001395094.db2.gz HVGBWJURIHDILB-CRAIPNDOSA-N 1 2 407.442 3.770 20 5 HHBDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506620006 1001473413 /nfs/dbraw/zinc/47/34/13/1001473413.db2.gz SPBPDPDDWHAPPU-FQEVSTJZSA-N 1 2 406.442 3.585 20 5 HHBDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506620006 1001473415 /nfs/dbraw/zinc/47/34/15/1001473415.db2.gz SPBPDPDDWHAPPU-FQEVSTJZSA-N 1 2 406.442 3.585 20 5 HHBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000498180221 1001676967 /nfs/dbraw/zinc/67/69/67/1001676967.db2.gz AJVXHHULVJGACD-UHFFFAOYSA-N 1 2 421.400 3.589 20 5 HHBDLO C[C@H](c1cccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1)[NH+]1CCOCC1 ZINC000498278084 1001750791 /nfs/dbraw/zinc/75/07/91/1001750791.db2.gz TYCUYHNGBKBTOT-OAHLLOKOSA-N 1 2 406.442 3.789 20 5 HHBDLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000507167219 1001855189 /nfs/dbraw/zinc/85/51/89/1001855189.db2.gz JYUKSDVSDMFWJI-UHFFFAOYSA-N 1 2 400.479 3.524 20 5 HHBDLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000507167219 1001855201 /nfs/dbraw/zinc/85/52/01/1001855201.db2.gz JYUKSDVSDMFWJI-UHFFFAOYSA-N 1 2 400.479 3.524 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(Nc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000507261244 1001945540 /nfs/dbraw/zinc/94/55/40/1001945540.db2.gz VDNUXOYTHGOVPP-AWEZNQCLSA-N 1 2 416.453 3.646 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(Nc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000507261245 1001945744 /nfs/dbraw/zinc/94/57/44/1001945744.db2.gz VDNUXOYTHGOVPP-CQSZACIVSA-N 1 2 416.453 3.646 20 5 HHBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507266914 1001950847 /nfs/dbraw/zinc/95/08/47/1001950847.db2.gz ZEQAQFQPNHJGIG-DJJJIMSYSA-N 1 2 403.866 3.821 20 5 HHBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507266914 1001950852 /nfs/dbraw/zinc/95/08/52/1001950852.db2.gz ZEQAQFQPNHJGIG-DJJJIMSYSA-N 1 2 403.866 3.821 20 5 HHBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(n3cncn3)CC2)c([N+](=O)[O-])c1 ZINC000499056941 1002439752 /nfs/dbraw/zinc/43/97/52/1002439752.db2.gz PVBOVUMIFKBMGK-NRFANRHFSA-N 1 2 420.473 3.512 20 5 HHBDLO O=C(Nc1c(-c2ccco2)nc2ccccn21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000507907530 1002442284 /nfs/dbraw/zinc/44/22/84/1002442284.db2.gz ZXAQIAJHRPPZEP-UHFFFAOYSA-N 1 2 414.381 3.941 20 5 HHBDLO CCOC(=O)c1cc(C)sc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000500738288 1003928982 /nfs/dbraw/zinc/92/89/82/1003928982.db2.gz FFOIHFJQNULHKV-UHFFFAOYSA-N 1 2 400.416 3.579 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c(Cl)c1 ZINC000500829910 1003987955 /nfs/dbraw/zinc/98/79/55/1003987955.db2.gz AOQOHXKKRRMMNX-KRWDZBQOSA-N 1 2 400.822 3.872 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c(Cl)c1 ZINC000500829910 1003987961 /nfs/dbraw/zinc/98/79/61/1003987961.db2.gz AOQOHXKKRRMMNX-KRWDZBQOSA-N 1 2 400.822 3.872 20 5 HHBDLO COc1cc(C[NH2+]Cc2ccncc2OCc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000512583707 1004401095 /nfs/dbraw/zinc/40/10/95/1004401095.db2.gz UINWLNIUVSCRME-UHFFFAOYSA-N 1 2 409.442 3.876 20 5 HHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510436285 1004565342 /nfs/dbraw/zinc/56/53/42/1004565342.db2.gz ZLEVYIWXIMYACK-CZUORRHYSA-N 1 2 413.865 3.872 20 5 HHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510436285 1004565351 /nfs/dbraw/zinc/56/53/51/1004565351.db2.gz ZLEVYIWXIMYACK-CZUORRHYSA-N 1 2 413.865 3.872 20 5 HHBDLO O=C(CCCc1ccccc1)N[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000510630764 1004764570 /nfs/dbraw/zinc/76/45/70/1004764570.db2.gz CWFDSNNCQKFYLK-GOSISDBHSA-N 1 2 422.485 3.840 20 5 HHBDLO O=C(CCCc1ccccc1)N[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000510630764 1004764572 /nfs/dbraw/zinc/76/45/72/1004764572.db2.gz CWFDSNNCQKFYLK-GOSISDBHSA-N 1 2 422.485 3.840 20 5 HHBDLO COc1ccccc1O[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000513415675 1004954443 /nfs/dbraw/zinc/95/44/43/1004954443.db2.gz KKYSUJMSNAHVHJ-KRWDZBQOSA-N 1 2 410.430 3.697 20 5 HHBDLO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000513415675 1004954448 /nfs/dbraw/zinc/95/44/48/1004954448.db2.gz KKYSUJMSNAHVHJ-KRWDZBQOSA-N 1 2 410.430 3.697 20 5 HHBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(Br)cc1F ZINC000511106380 1005021738 /nfs/dbraw/zinc/02/17/38/1005021738.db2.gz HKHNKXKOWRMPQY-UHFFFAOYSA-N 1 2 410.243 3.609 20 5 HHBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(Br)cc1F ZINC000511106380 1005021744 /nfs/dbraw/zinc/02/17/44/1005021744.db2.gz HKHNKXKOWRMPQY-UHFFFAOYSA-N 1 2 410.243 3.609 20 5 HHBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000511157981 1005050036 /nfs/dbraw/zinc/05/00/36/1005050036.db2.gz SOBGPZWKALKLKH-GOSISDBHSA-N 1 2 403.442 3.742 20 5 HHBDLO Cc1c(Br)cc(C(=O)NCCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000511505921 1005204316 /nfs/dbraw/zinc/20/43/16/1005204316.db2.gz NZUJYCCMCDBVKP-UHFFFAOYSA-N 1 2 407.268 3.683 20 5 HHBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513993357 1005218437 /nfs/dbraw/zinc/21/84/37/1005218437.db2.gz AODLLLDZFIHMGF-INIZCTEOSA-N 1 2 424.682 3.797 20 5 HHBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513996876 1005220183 /nfs/dbraw/zinc/22/01/83/1005220183.db2.gz MQFNUAPXVZIZEP-OXQOHEQNSA-N 1 2 401.894 3.990 20 5 HHBDLO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000502853094 1005244466 /nfs/dbraw/zinc/24/44/66/1005244466.db2.gz QRYAZECXHYNVFR-KPZWWZAWSA-N 1 2 407.829 3.516 20 5 HHBDLO C[N@H+]1CC[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000502853094 1005244468 /nfs/dbraw/zinc/24/44/68/1005244468.db2.gz QRYAZECXHYNVFR-KPZWWZAWSA-N 1 2 407.829 3.516 20 5 HHBDLO CN(C)[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000514099882 1005265119 /nfs/dbraw/zinc/26/51/19/1005265119.db2.gz RYUFZIXLWIUJQG-PMACEKPBSA-N 1 2 413.909 3.964 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000514179835 1005300275 /nfs/dbraw/zinc/30/02/75/1005300275.db2.gz MARCNMGAODZNLS-INIZCTEOSA-N 1 2 408.380 3.975 20 5 HHBDLO C[C@H](c1cccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1)[NH+]1CCOCC1 ZINC000531319409 1006118706 /nfs/dbraw/zinc/11/87/06/1006118706.db2.gz XAZDZHWTYMEYBA-QGZVFWFLSA-N 1 2 412.490 3.819 20 5 HHBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CC2)c1 ZINC000534248276 1006255098 /nfs/dbraw/zinc/25/50/98/1006255098.db2.gz SGSGSCCUHBGGTC-OAHLLOKOSA-N 1 2 408.458 3.604 20 5 HHBDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000531869019 1006489445 /nfs/dbraw/zinc/48/94/45/1006489445.db2.gz WBQBTYPZPWFIII-AWEZNQCLSA-N 1 2 402.451 3.589 20 5 HHBDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000531869019 1006489469 /nfs/dbraw/zinc/48/94/69/1006489469.db2.gz WBQBTYPZPWFIII-AWEZNQCLSA-N 1 2 402.451 3.589 20 5 HHBDLO Cc1cc(NCc2cccc(OCC[NH+]3CCOCC3)c2)c2cccc([N+](=O)[O-])c2n1 ZINC000538447264 1006714267 /nfs/dbraw/zinc/71/42/67/1006714267.db2.gz JLWIDRYGHPSHPS-UHFFFAOYSA-N 1 2 422.485 3.775 20 5 HHBDLO COc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000534839576 1006857138 /nfs/dbraw/zinc/85/71/38/1006857138.db2.gz RTSWUYOXFYWRBA-CYBMUJFWSA-N 1 2 403.866 3.685 20 5 HHBDLO COc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000534839576 1006857150 /nfs/dbraw/zinc/85/71/50/1006857150.db2.gz RTSWUYOXFYWRBA-CYBMUJFWSA-N 1 2 403.866 3.685 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(c2ccccc2F)CC1 ZINC000532572089 1007003856 /nfs/dbraw/zinc/00/38/56/1007003856.db2.gz AXEPTKZJOXBWOA-AWEZNQCLSA-N 1 2 401.438 3.949 20 5 HHBDLO O=C(C[N@@H+]1CC[C@H](Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000532575233 1007006546 /nfs/dbraw/zinc/00/65/46/1007006546.db2.gz NIWJKUOQDINZAD-OAHLLOKOSA-N 1 2 418.291 3.860 20 5 HHBDLO O=C(C[N@H+]1CC[C@H](Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000532575233 1007006560 /nfs/dbraw/zinc/00/65/60/1007006560.db2.gz NIWJKUOQDINZAD-OAHLLOKOSA-N 1 2 418.291 3.860 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000532587274 1007023895 /nfs/dbraw/zinc/02/38/95/1007023895.db2.gz ZKLUGYHPDSUYEY-CQSZACIVSA-N 1 2 401.438 3.949 20 5 HHBDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000532614742 1007041565 /nfs/dbraw/zinc/04/15/65/1007041565.db2.gz IOSULNRQMRIEAG-UHFFFAOYSA-N 1 2 409.364 3.698 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000538782264 1007063348 /nfs/dbraw/zinc/06/33/48/1007063348.db2.gz BSGSPSTUIFCMMI-KRWDZBQOSA-N 1 2 414.481 3.750 20 5 HHBDLO Cc1c(NC(=O)[C@H](C)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000538783126 1007064576 /nfs/dbraw/zinc/06/45/76/1007064576.db2.gz ACDRXWMMFGJEFA-IRXDYDNUSA-N 1 2 414.481 3.748 20 5 HHBDLO COc1ccc(OC2CC[NH+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)cc1 ZINC000532918802 1007290681 /nfs/dbraw/zinc/29/06/81/1007290681.db2.gz ARHCXLCJNVEUME-UHFFFAOYSA-N 1 2 410.430 3.697 20 5 HHBDLO COc1cc(C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)ccc1O ZINC000535580446 1007603528 /nfs/dbraw/zinc/60/35/28/1007603528.db2.gz UPZBXIIKXZGSKJ-UHFFFAOYSA-N 1 2 405.838 3.566 20 5 HHBDLO COc1cc(C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)ccc1O ZINC000535580446 1007603539 /nfs/dbraw/zinc/60/35/39/1007603539.db2.gz UPZBXIIKXZGSKJ-UHFFFAOYSA-N 1 2 405.838 3.566 20 5 HHBDLO CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000535887150 1007906512 /nfs/dbraw/zinc/90/65/12/1007906512.db2.gz BZSJIHMYHBDTTR-VQIMIIECSA-N 1 2 421.856 3.961 20 5 HHBDLO CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000535887150 1007906518 /nfs/dbraw/zinc/90/65/18/1007906518.db2.gz BZSJIHMYHBDTTR-VQIMIIECSA-N 1 2 421.856 3.961 20 5 HHBDLO COc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000533682296 1008003091 /nfs/dbraw/zinc/00/30/91/1008003091.db2.gz OBZQAGSVHKJJBV-YJBOKZPZSA-N 1 2 407.829 3.571 20 5 HHBDLO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000533682296 1008003131 /nfs/dbraw/zinc/00/31/31/1008003131.db2.gz OBZQAGSVHKJJBV-YJBOKZPZSA-N 1 2 407.829 3.571 20 5 HHBDLO CC(C)c1ccc(CNc2ccc(N3CCN(C(=O)C4CC4)CC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000539693238 1008013507 /nfs/dbraw/zinc/01/35/07/1008013507.db2.gz KDWQEBOILJOGNQ-UHFFFAOYSA-N 1 2 423.517 3.784 20 5 HHBDLO COc1ccc(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)cc1[N+](=O)[O-] ZINC000533753285 1008079688 /nfs/dbraw/zinc/07/96/88/1008079688.db2.gz IURHFZFLJHINHD-UHFFFAOYSA-N 1 2 408.245 3.781 20 5 HHBDLO C[C@H](c1cccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1)[NH+]1CCOCC1 ZINC000536057851 1008087898 /nfs/dbraw/zinc/08/78/98/1008087898.db2.gz QOSHRGYNKGONCT-MRXNPFEDSA-N 1 2 410.474 3.578 20 5 HHBDLO CC(C)(C)c1ccc(Oc2ccc(C[N@@H+]3CC[C@H](NC(N)=O)C3)cc2[N+](=O)[O-])cc1 ZINC000539900047 1008172510 /nfs/dbraw/zinc/17/25/10/1008172510.db2.gz MTUZJDOFTZSBQQ-KRWDZBQOSA-N 1 2 412.490 3.927 20 5 HHBDLO CC(C)(C)c1ccc(Oc2ccc(C[N@H+]3CC[C@H](NC(N)=O)C3)cc2[N+](=O)[O-])cc1 ZINC000539900047 1008172514 /nfs/dbraw/zinc/17/25/14/1008172514.db2.gz MTUZJDOFTZSBQQ-KRWDZBQOSA-N 1 2 412.490 3.927 20 5 HHBDLO Cn1c(C(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)ccc1[N+](=O)[O-] ZINC000518947734 1008483319 /nfs/dbraw/zinc/48/33/19/1008483319.db2.gz ZYXCTBWITHYBMA-UHFFFAOYSA-N 1 2 419.844 3.655 20 5 HHBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000543208007 1008778272 /nfs/dbraw/zinc/77/82/72/1008778272.db2.gz IPTYOSBINDEKKJ-HKUYNNGSSA-N 1 2 424.457 3.612 20 5 HHBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000543208007 1008778286 /nfs/dbraw/zinc/77/82/86/1008778286.db2.gz IPTYOSBINDEKKJ-HKUYNNGSSA-N 1 2 424.457 3.612 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000543316460 1008896849 /nfs/dbraw/zinc/89/68/49/1008896849.db2.gz OSDFMSNOZQYCDT-UHFFFAOYSA-N 1 2 419.441 3.840 20 5 HHBDLO O=C1Nc2cc(Cl)ccc2[C@@H]1C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000549405515 1008993303 /nfs/dbraw/zinc/99/33/03/1008993303.db2.gz VQELMZSDEGUZQS-IBGZPJMESA-N 1 2 401.850 3.902 20 5 HHBDLO COc1cccc([C@H]2[C@@H](NCc3nc4cc([N+](=O)[O-])ccc4o3)CC[N@@H+]2C2CC2)c1 ZINC000549476698 1009073291 /nfs/dbraw/zinc/07/32/91/1009073291.db2.gz OPMSBDGQDYVPMW-AVRDEDQJSA-N 1 2 408.458 3.812 20 5 HHBDLO COc1cccc([C@H]2[C@@H](NCc3nc4cc([N+](=O)[O-])ccc4o3)CC[N@H+]2C2CC2)c1 ZINC000549476698 1009073307 /nfs/dbraw/zinc/07/33/07/1009073307.db2.gz OPMSBDGQDYVPMW-AVRDEDQJSA-N 1 2 408.458 3.812 20 5 HHBDLO COc1cccc([C@@H]2[C@H](NCc3nc4cc([N+](=O)[O-])ccc4o3)CC[N@@H+]2C2CC2)c1 ZINC000549476705 1009073666 /nfs/dbraw/zinc/07/36/66/1009073666.db2.gz OPMSBDGQDYVPMW-XMSQKQJNSA-N 1 2 408.458 3.812 20 5 HHBDLO COc1cccc([C@@H]2[C@H](NCc3nc4cc([N+](=O)[O-])ccc4o3)CC[N@H+]2C2CC2)c1 ZINC000549476705 1009073687 /nfs/dbraw/zinc/07/36/87/1009073687.db2.gz OPMSBDGQDYVPMW-XMSQKQJNSA-N 1 2 408.458 3.812 20 5 HHBDLO CCOC(=O)c1cc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)cc([N+](=O)[O-])c1 ZINC000546396384 1009407091 /nfs/dbraw/zinc/40/70/91/1009407091.db2.gz ACSCBFIXFBVAOI-UHFFFAOYSA-N 1 2 405.370 3.674 20 5 HHBDLO COc1cccc(C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]2CCCO2)c1 ZINC000520388769 1009526378 /nfs/dbraw/zinc/52/63/78/1009526378.db2.gz DBKUHPWROUWFIY-HXUWFJFHSA-N 1 2 424.457 3.835 20 5 HHBDLO COc1cccc(C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]2CCCO2)c1 ZINC000520388769 1009526395 /nfs/dbraw/zinc/52/63/95/1009526395.db2.gz DBKUHPWROUWFIY-HXUWFJFHSA-N 1 2 424.457 3.835 20 5 HHBDLO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1 ZINC000520543769 1009629194 /nfs/dbraw/zinc/62/91/94/1009629194.db2.gz PSPPTYTVTNJZFH-CQSZACIVSA-N 1 2 401.488 3.962 20 5 HHBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1C ZINC000550278842 1009828908 /nfs/dbraw/zinc/82/89/08/1009828908.db2.gz OZNPLANPPPSXPU-UHFFFAOYSA-N 1 2 422.279 3.958 20 5 HHBDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000550354592 1009882749 /nfs/dbraw/zinc/88/27/49/1009882749.db2.gz TVOIAWFUKLNDMQ-GFCCVEGCSA-N 1 2 420.491 3.843 20 5 HHBDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000550354592 1009882760 /nfs/dbraw/zinc/88/27/60/1009882760.db2.gz TVOIAWFUKLNDMQ-GFCCVEGCSA-N 1 2 420.491 3.843 20 5 HHBDLO O=[N+]([O-])c1ccc2c(ccn2Cc2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)c1 ZINC000546985508 1009943144 /nfs/dbraw/zinc/94/31/44/1009943144.db2.gz RONZACYOBKQDKP-UHFFFAOYSA-N 1 2 400.398 3.893 20 5 HHBDLO O=[N+]([O-])c1ccc(NCCCc2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000521043872 1010071570 /nfs/dbraw/zinc/07/15/70/1010071570.db2.gz YECBXMQHAMFXHJ-UHFFFAOYSA-N 1 2 423.473 3.522 20 5 HHBDLO CC(C)COc1ccc(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000521249608 1010255790 /nfs/dbraw/zinc/25/57/90/1010255790.db2.gz ZZJBASUQXRLHRX-UHFFFAOYSA-N 1 2 408.458 3.788 20 5 HHBDLO CSC[C@H](C)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000521324192 1010306248 /nfs/dbraw/zinc/30/62/48/1010306248.db2.gz HOEMPWBBTVFAJB-HNNXBMFYSA-N 1 2 419.572 3.967 20 5 HHBDLO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000551713601 1010756828 /nfs/dbraw/zinc/75/68/28/1010756828.db2.gz FLPJZRYGDXTJBH-CQSZACIVSA-N 1 2 415.471 3.894 20 5 HHBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000545380842 1010763901 /nfs/dbraw/zinc/76/39/01/1010763901.db2.gz IAFJXLCPGDQBRB-UHFFFAOYSA-N 1 2 400.460 3.613 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536124234 1011246314 /nfs/dbraw/zinc/24/63/14/1011246314.db2.gz RNEZCYNRKDNCFG-OALUTQOASA-N 1 2 420.872 3.674 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536124234 1011246328 /nfs/dbraw/zinc/24/63/28/1011246328.db2.gz RNEZCYNRKDNCFG-OALUTQOASA-N 1 2 420.872 3.674 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536124236 1011246552 /nfs/dbraw/zinc/24/65/52/1011246552.db2.gz RNEZCYNRKDNCFG-RTBURBONSA-N 1 2 420.872 3.674 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536124236 1011246561 /nfs/dbraw/zinc/24/65/61/1011246561.db2.gz RNEZCYNRKDNCFG-RTBURBONSA-N 1 2 420.872 3.674 20 5 HHBDLO CNC(=O)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1cccc(C(F)(F)F)c1 ZINC000536682346 1011846076 /nfs/dbraw/zinc/84/60/76/1011846076.db2.gz IODKCVJFIBUSFW-YVMONPNESA-N 1 2 407.392 3.875 20 5 HHBDLO CNC(=O)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1cccc(C(F)(F)F)c1 ZINC000536682346 1011846091 /nfs/dbraw/zinc/84/60/91/1011846091.db2.gz IODKCVJFIBUSFW-YVMONPNESA-N 1 2 407.392 3.875 20 5 HHBDLO Cn1ccnc1[C@@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1cccc([N+](=O)[O-])c1 ZINC000552247404 1012258201 /nfs/dbraw/zinc/25/82/01/1012258201.db2.gz ODZNRLZMNFXSEJ-HNNXBMFYSA-N 1 2 411.409 3.725 20 5 HHBDLO COc1cc(-c2nnc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)o2)cc(OC)c1OC ZINC000537074251 1012416188 /nfs/dbraw/zinc/41/61/88/1012416188.db2.gz AGYADFVPZXHQLO-LBPRGKRZSA-N 1 2 414.418 3.521 20 5 HHBDLO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)n1 ZINC000552939438 1012931808 /nfs/dbraw/zinc/93/18/08/1012931808.db2.gz LITKYDJQHWJAEO-INIZCTEOSA-N 1 2 422.844 3.818 20 5 HHBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3ccc(OC)c([N+](=O)[O-])c3)CC2)c1 ZINC000542034734 1012933915 /nfs/dbraw/zinc/93/39/15/1012933915.db2.gz LSVINWULCPKMFG-OAHLLOKOSA-N 1 2 414.462 3.523 20 5 HHBDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000614924939 1071988773 /nfs/dbraw/zinc/98/87/73/1071988773.db2.gz PNBCGBVHRAPXGQ-ZBEGNZNMSA-N 1 2 400.357 3.749 20 5 HHBDLO CO[C@@]1(C(F)(F)F)CCC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000614924939 1071988777 /nfs/dbraw/zinc/98/87/77/1071988777.db2.gz PNBCGBVHRAPXGQ-ZBEGNZNMSA-N 1 2 400.357 3.749 20 5 HHBDLO CCc1noc(-c2ccc(C)c(NC(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)c2)n1 ZINC001126858989 1072846485 /nfs/dbraw/zinc/84/64/85/1072846485.db2.gz ZQEOHBRNDOMQIW-UHFFFAOYSA-N 1 2 418.413 3.954 20 5 HHBDLO COc1cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000571810645 1072861306 /nfs/dbraw/zinc/86/13/06/1072861306.db2.gz MQGBKHOHQMUMJS-HNAYVOBHSA-N 1 2 412.433 3.781 20 5 HHBDLO COc1cc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000571810645 1072861320 /nfs/dbraw/zinc/86/13/20/1072861320.db2.gz MQGBKHOHQMUMJS-HNAYVOBHSA-N 1 2 412.433 3.781 20 5 HHBDLO C[C@@H](c1cccc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1)[NH+]1CCOCC1 ZINC000554857101 1072907037 /nfs/dbraw/zinc/90/70/37/1072907037.db2.gz HNRIDPRZBKCZCX-KRWDZBQOSA-N 1 2 412.490 3.694 20 5 HHBDLO COc1ccc(C[N@H+](CCO)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)c(OC)c1 ZINC000555364798 1073373813 /nfs/dbraw/zinc/37/38/13/1073373813.db2.gz WDJVQARYVLZPNG-UHFFFAOYSA-N 1 2 414.380 3.625 20 5 HHBDLO COc1ccc(C[N@@H+](CCO)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)c(OC)c1 ZINC000555364798 1073373821 /nfs/dbraw/zinc/37/38/21/1073373821.db2.gz WDJVQARYVLZPNG-UHFFFAOYSA-N 1 2 414.380 3.625 20 5 HHBDLO Cc1nn(C)c(C)c1[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000760760182 1073396764 /nfs/dbraw/zinc/39/67/64/1073396764.db2.gz YSPVGUAOQAHPFD-INIZCTEOSA-N 1 2 423.351 3.591 20 5 HHBDLO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000760843184 1074422647 /nfs/dbraw/zinc/42/26/47/1074422647.db2.gz LNPSUGUWZUAYSB-KRWDZBQOSA-N 1 2 402.451 3.691 20 5 HHBDLO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000760843184 1074422650 /nfs/dbraw/zinc/42/26/50/1074422650.db2.gz LNPSUGUWZUAYSB-KRWDZBQOSA-N 1 2 402.451 3.691 20 5 HHBDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000760937439 1074700767 /nfs/dbraw/zinc/70/07/67/1074700767.db2.gz RGDWRHPINCEUPV-CYBMUJFWSA-N 1 2 411.886 3.631 20 5 HHBDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000760937439 1074700775 /nfs/dbraw/zinc/70/07/75/1074700775.db2.gz RGDWRHPINCEUPV-CYBMUJFWSA-N 1 2 411.886 3.631 20 5 HHBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC001164919964 721821292 /nfs/dbraw/zinc/82/12/92/721821292.db2.gz ZQMWIEAPKOFKOR-UHFFFAOYSA-N 1 2 418.501 3.603 20 5 HHBDLO Cc1cnc(Sc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000301452353 970935850 /nfs/dbraw/zinc/93/58/50/970935850.db2.gz QSDDMYUTXXZSNM-GFCCVEGCSA-N 1 2 402.455 3.792 20 5 HHBDLO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3cn4cc(Cl)ccc4n3)CC2)c(F)c1 ZINC000301487738 970953244 /nfs/dbraw/zinc/95/32/44/970953244.db2.gz IRXSQVYPVYVUSY-UHFFFAOYSA-N 1 2 403.845 3.747 20 5 HHBDLO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3cn4cc(Cl)ccc4n3)CC2)c(F)c1 ZINC000301487738 970953254 /nfs/dbraw/zinc/95/32/54/970953254.db2.gz IRXSQVYPVYVUSY-UHFFFAOYSA-N 1 2 403.845 3.747 20 5 HHBDLO C[NH+](C)[C@H](CNc1c(Br)cncc1[N+](=O)[O-])c1c(F)cccc1F ZINC000301901606 971107074 /nfs/dbraw/zinc/10/70/74/971107074.db2.gz VROQPEWVYUXFGV-GFCCVEGCSA-N 1 2 401.211 3.745 20 5 HHBDLO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)[NH+]2CCCC2)cc1 ZINC000302679618 971278320 /nfs/dbraw/zinc/27/83/20/971278320.db2.gz WAXGZJHSWFPLSO-IBGZPJMESA-N 1 2 403.504 3.556 20 5 HHBDLO CC1(C)CCc2cc(C[NH+]3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)ccc2O1 ZINC000537617551 1013159080 /nfs/dbraw/zinc/15/90/80/1013159080.db2.gz USGRJKOOHCQANQ-UHFFFAOYSA-N 1 2 409.486 3.656 20 5 HHBDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537625714 1013174242 /nfs/dbraw/zinc/17/42/42/1013174242.db2.gz RJUJPKJKZVDHBH-VXGBXAGGSA-N 1 2 400.884 3.762 20 5 HHBDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537625714 1013174247 /nfs/dbraw/zinc/17/42/47/1013174247.db2.gz RJUJPKJKZVDHBH-VXGBXAGGSA-N 1 2 400.884 3.762 20 5 HHBDLO Cc1nc(CN2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC2)no1 ZINC000537630884 1013184121 /nfs/dbraw/zinc/18/41/21/1013184121.db2.gz KFUNMEANJDDLTM-UHFFFAOYSA-N 1 2 417.853 3.517 20 5 HHBDLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] ZINC000015195873 962684233 /nfs/dbraw/zinc/68/42/33/962684233.db2.gz BNTAFOHMXHCTRY-UHFFFAOYSA-N 1 2 423.391 3.580 20 5 HHBDLO CCc1ccc([C@@H]([NH2+]C[C@H](C(C)C)N2CCN(C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542481716 1013429832 /nfs/dbraw/zinc/42/98/32/1013429832.db2.gz APVWJVRRXQSELL-GGAORHGYSA-N 1 2 414.550 3.701 20 5 HHBDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)c2ccc(Cl)cc2)C1 ZINC000542508055 1013452097 /nfs/dbraw/zinc/45/20/97/1013452097.db2.gz VOSMNXAXZVSWHN-IEBWSBKVSA-N 1 2 413.865 3.675 20 5 HHBDLO C[N@H+]1CCO[C@@H]([C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)c2ccc(Cl)cc2)C1 ZINC000542508055 1013452104 /nfs/dbraw/zinc/45/21/04/1013452104.db2.gz VOSMNXAXZVSWHN-IEBWSBKVSA-N 1 2 413.865 3.675 20 5 HHBDLO COC(=O)c1cccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000023824367 963894106 /nfs/dbraw/zinc/89/41/06/963894106.db2.gz PVJNBGWMRBORSI-UHFFFAOYSA-N 1 2 423.391 3.722 20 5 HHBDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CC2)cc1 ZINC000028733094 965170745 /nfs/dbraw/zinc/17/07/45/965170745.db2.gz HTSCKLPHWLDWMB-UHFFFAOYSA-N 1 2 424.501 3.526 20 5 HHBDLO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000542630296 1013565599 /nfs/dbraw/zinc/56/55/99/1013565599.db2.gz BZIJLNZTTZNGOS-UHFFFAOYSA-N 1 2 415.494 3.636 20 5 HHBDLO CCOc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000054277528 965456139 /nfs/dbraw/zinc/45/61/39/965456139.db2.gz LTNXHEQTTLLTGV-CYBMUJFWSA-N 1 2 404.492 3.934 20 5 HHBDLO CCOc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000054277528 965456142 /nfs/dbraw/zinc/45/61/42/965456142.db2.gz LTNXHEQTTLLTGV-CYBMUJFWSA-N 1 2 404.492 3.934 20 5 HHBDLO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CC[NH+](Cc2cccs2)CC1 ZINC000029955618 965575348 /nfs/dbraw/zinc/57/53/48/965575348.db2.gz GOBNPAGHQMMDMR-UHFFFAOYSA-N 1 2 416.381 3.906 20 5 HHBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000055417510 965851695 /nfs/dbraw/zinc/85/16/95/965851695.db2.gz JWNLLICBFAZKHG-IRXDYDNUSA-N 1 2 413.474 3.612 20 5 HHBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000542684078 1013605146 /nfs/dbraw/zinc/60/51/46/1013605146.db2.gz ZVZNNJBFOZRJQV-WIYYLYMNSA-N 1 2 424.432 3.912 20 5 HHBDLO CC(C)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000032045271 966182401 /nfs/dbraw/zinc/18/24/01/966182401.db2.gz LMPMQJDRSPBZFK-NRFANRHFSA-N 1 2 422.441 3.679 20 5 HHBDLO O=C(NCCSc1ccc(Cl)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000033220648 966394843 /nfs/dbraw/zinc/39/48/43/966394843.db2.gz OGDVRPIWBSWJAL-UHFFFAOYSA-N 1 2 402.863 3.956 20 5 HHBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])n2)C1 ZINC000043546212 966995708 /nfs/dbraw/zinc/99/57/08/966995708.db2.gz BTUDRXGOFMIFJX-AWEZNQCLSA-N 1 2 403.508 3.947 20 5 HHBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])n2)C1 ZINC000043546212 966995714 /nfs/dbraw/zinc/99/57/14/966995714.db2.gz BTUDRXGOFMIFJX-AWEZNQCLSA-N 1 2 403.508 3.947 20 5 HHBDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n(Cc2ccccc2)n1 ZINC000044047310 967107181 /nfs/dbraw/zinc/10/71/81/967107181.db2.gz AKINYGRLYOMTRS-UHFFFAOYSA-N 1 2 402.414 3.586 20 5 HHBDLO Cc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1C(=O)N1CCCC1 ZINC000044537619 967232709 /nfs/dbraw/zinc/23/27/09/967232709.db2.gz ROIJVXKLAPXNKV-UHFFFAOYSA-N 1 2 419.441 3.577 20 5 HHBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000044617743 967255538 /nfs/dbraw/zinc/25/55/38/967255538.db2.gz HJUVRRUJXXLVBK-LBPRGKRZSA-N 1 2 402.357 3.873 20 5 HHBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000065536757 967510422 /nfs/dbraw/zinc/51/04/22/967510422.db2.gz GQYROKKWWSFFDS-GOSISDBHSA-N 1 2 407.264 3.810 20 5 HHBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000065536757 967510427 /nfs/dbraw/zinc/51/04/27/967510427.db2.gz GQYROKKWWSFFDS-GOSISDBHSA-N 1 2 407.264 3.810 20 5 HHBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000046105964 967661442 /nfs/dbraw/zinc/66/14/42/967661442.db2.gz IUMBWVPFJFCXGQ-UHFFFAOYSA-N 1 2 406.320 3.974 20 5 HHBDLO CC1CC[NH+]([C@@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c2ccccc2)CC1 ZINC000072006979 968929851 /nfs/dbraw/zinc/92/98/51/968929851.db2.gz DQFPSGQGIXZUSG-FQEVSTJZSA-N 1 2 407.474 3.674 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(OCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000105362644 969234218 /nfs/dbraw/zinc/23/42/18/969234218.db2.gz GZNCTECGIUDJHB-INIZCTEOSA-N 1 2 413.474 3.612 20 5 HHBDLO CC(C)COC(=O)N1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000110188810 969634743 /nfs/dbraw/zinc/63/47/43/969634743.db2.gz NIMLFJGURZIOFA-OAHLLOKOSA-N 1 2 417.466 3.506 20 5 HHBDLO CC(C)COC(=O)N1CCC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000110188810 969634748 /nfs/dbraw/zinc/63/47/48/969634748.db2.gz NIMLFJGURZIOFA-OAHLLOKOSA-N 1 2 417.466 3.506 20 5 HHBDLO C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)Oc1cccc(Cl)c1 ZINC000303970637 972557916 /nfs/dbraw/zinc/55/79/16/972557916.db2.gz SJYNVCPCHJOCFX-CYBMUJFWSA-N 1 2 400.822 3.631 20 5 HHBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410272400 973788090 /nfs/dbraw/zinc/78/80/90/973788090.db2.gz YKVYRAGTNLBVTE-HNNXBMFYSA-N 1 2 400.504 3.626 20 5 HHBDLO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410306316 973845937 /nfs/dbraw/zinc/84/59/37/973845937.db2.gz JZNUBCULIVYLEH-CQSZACIVSA-N 1 2 420.416 3.749 20 5 HHBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000425991665 974104635 /nfs/dbraw/zinc/10/46/35/974104635.db2.gz XMKUKTBHCLOOAW-UHFFFAOYSA-N 1 2 409.421 3.794 20 5 HHBDLO C[C@]12CC[N@H+](CC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)C[C@H]1C2(F)F ZINC000428739000 976019881 /nfs/dbraw/zinc/01/98/81/976019881.db2.gz CJKAAQIRMLVUIS-PBHICJAKSA-N 1 2 408.430 3.634 20 5 HHBDLO C[C@]12CC[N@@H+](CC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)C[C@H]1C2(F)F ZINC000428739000 976019893 /nfs/dbraw/zinc/01/98/93/976019893.db2.gz CJKAAQIRMLVUIS-PBHICJAKSA-N 1 2 408.430 3.634 20 5 HHBDLO CC1CCN(c2ccc(C(=O)N(C)Cc3cn4c([nH+]3)CCCC4)cc2[N+](=O)[O-])CC1 ZINC000429507590 976763073 /nfs/dbraw/zinc/76/30/73/976763073.db2.gz ZSVOTNIEPMTGIX-UHFFFAOYSA-N 1 2 411.506 3.636 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000434781381 980395541 /nfs/dbraw/zinc/39/55/41/980395541.db2.gz FMGZGCQBFXMYFV-PKOBYXMFSA-N 1 2 424.284 3.739 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000434781381 980395546 /nfs/dbraw/zinc/39/55/46/980395546.db2.gz FMGZGCQBFXMYFV-PKOBYXMFSA-N 1 2 424.284 3.739 20 5 HHBDLO COc1cccc(C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]2CCCO2)c1 ZINC000434832393 980430241 /nfs/dbraw/zinc/43/02/41/980430241.db2.gz DRGOSYJYPQKGIH-FQEVSTJZSA-N 1 2 413.474 3.532 20 5 HHBDLO COc1cccc(C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]2CCCO2)c1 ZINC000434832393 980430243 /nfs/dbraw/zinc/43/02/43/980430243.db2.gz DRGOSYJYPQKGIH-FQEVSTJZSA-N 1 2 413.474 3.532 20 5 HHBDLO CCC(CC)[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[NH+]1CCOCC1 ZINC000436084139 981192890 /nfs/dbraw/zinc/19/28/90/981192890.db2.gz QNCWBXGHPVASGG-QHCPKHFHSA-N 1 2 421.541 3.548 20 5 HHBDLO O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000437308020 981960251 /nfs/dbraw/zinc/96/02/51/981960251.db2.gz KZPORALQIFATSJ-IUODEOHRSA-N 1 2 400.797 3.859 20 5 HHBDLO CN1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2cc(Cl)ccc21 ZINC000460294279 982070670 /nfs/dbraw/zinc/07/06/70/982070670.db2.gz VQSGLBWJXKFARY-UHFFFAOYSA-N 1 2 411.849 3.921 20 5 HHBDLO O=C(Nc1cccc2[nH+]ccn21)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000460335040 982107711 /nfs/dbraw/zinc/10/77/11/982107711.db2.gz MKVZXYFVMWRWMF-UHFFFAOYSA-N 1 2 417.212 3.987 20 5 HHBDLO Cc1ccc(C)c([C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)[C@H](C)CO2)c1 ZINC000460557970 982343785 /nfs/dbraw/zinc/34/37/85/982343785.db2.gz YNRGNBSHPIAJME-VGOFRKELSA-N 1 2 420.469 4.000 20 5 HHBDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000439806672 983545769 /nfs/dbraw/zinc/54/57/69/983545769.db2.gz PAPNELZFPSVVPA-ZHRRBRCNSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000439806672 983545772 /nfs/dbraw/zinc/54/57/72/983545772.db2.gz PAPNELZFPSVVPA-ZHRRBRCNSA-N 1 2 410.518 3.979 20 5 HHBDLO COc1ccccc1-c1nc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000440492859 983775503 /nfs/dbraw/zinc/77/55/03/983775503.db2.gz KAIZLOTWMXQBAN-AWEZNQCLSA-N 1 2 411.487 3.808 20 5 HHBDLO COc1ccccc1-c1nc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000440492859 983775506 /nfs/dbraw/zinc/77/55/06/983775506.db2.gz KAIZLOTWMXQBAN-AWEZNQCLSA-N 1 2 411.487 3.808 20 5 HHBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCC[NH+]2CCC3(CCCCC3)CC2)s1 ZINC000440666207 983844470 /nfs/dbraw/zinc/84/44/70/983844470.db2.gz CJGDODWRCRNBCP-UHFFFAOYSA-N 1 2 401.554 3.518 20 5 HHBDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](C)C1 ZINC000442898611 985268677 /nfs/dbraw/zinc/26/86/77/985268677.db2.gz JKLBWRGCZLECAV-MRXNPFEDSA-N 1 2 422.485 3.821 20 5 HHBDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](C)C1 ZINC000442898611 985268691 /nfs/dbraw/zinc/26/86/91/985268691.db2.gz JKLBWRGCZLECAV-MRXNPFEDSA-N 1 2 422.485 3.821 20 5 HHBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000462769193 985705998 /nfs/dbraw/zinc/70/59/98/985705998.db2.gz XQAHRTGORKCUJO-FQEVSTJZSA-N 1 2 406.486 3.767 20 5 HHBDLO COc1cc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000462871722 985796342 /nfs/dbraw/zinc/79/63/42/985796342.db2.gz REAMGPUIOXHHCN-QGZVFWFLSA-N 1 2 422.428 3.632 20 5 HHBDLO COc1cc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000462871722 985796350 /nfs/dbraw/zinc/79/63/50/985796350.db2.gz REAMGPUIOXHHCN-QGZVFWFLSA-N 1 2 422.428 3.632 20 5 HHBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+]([C@H](C)c2ccc(Br)cc2)CC1 ZINC000462906874 985837898 /nfs/dbraw/zinc/83/78/98/985837898.db2.gz QIDUSPHYVNVTAS-CQSZACIVSA-N 1 2 405.296 3.944 20 5 HHBDLO O=C1[C@@H]([N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000443646631 985839054 /nfs/dbraw/zinc/83/90/54/985839054.db2.gz WKEKNPQLZCFXOT-AEFFLSMTSA-N 1 2 401.850 3.507 20 5 HHBDLO O=C1[C@@H]([N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000443646631 985839115 /nfs/dbraw/zinc/83/91/15/985839115.db2.gz WKEKNPQLZCFXOT-AEFFLSMTSA-N 1 2 401.850 3.507 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H](Oc4ccccc4Cl)C3)o2)cc1 ZINC000443650456 985846237 /nfs/dbraw/zinc/84/62/37/985846237.db2.gz PNSDKBMFIRMDEZ-OAHLLOKOSA-N 1 2 400.822 3.952 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@H](Oc4ccccc4Cl)C3)o2)cc1 ZINC000443650456 985846257 /nfs/dbraw/zinc/84/62/57/985846257.db2.gz PNSDKBMFIRMDEZ-OAHLLOKOSA-N 1 2 400.822 3.952 20 5 HHBDLO CCOc1cc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c([N+](=O)[O-])cc1OC ZINC000463036456 985995858 /nfs/dbraw/zinc/99/58/58/985995858.db2.gz RMQJWYUGGZKJFQ-CQSZACIVSA-N 1 2 419.503 3.583 20 5 HHBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000463092164 986050014 /nfs/dbraw/zinc/05/00/14/986050014.db2.gz JPIPKSQFZBBKMN-LBPRGKRZSA-N 1 2 424.320 3.938 20 5 HHBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000463092162 986050336 /nfs/dbraw/zinc/05/03/36/986050336.db2.gz JPIPKSQFZBBKMN-GFCCVEGCSA-N 1 2 424.320 3.938 20 5 HHBDLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000443951382 986158775 /nfs/dbraw/zinc/15/87/75/986158775.db2.gz XMCLOTZUQPRJMA-UHFFFAOYSA-N 1 2 412.490 3.960 20 5 HHBDLO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000468471931 986165567 /nfs/dbraw/zinc/16/55/67/986165567.db2.gz YUSWYIADRSXWOY-CTEOGUNLSA-N 1 2 404.264 3.529 20 5 HHBDLO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000468471931 986165572 /nfs/dbraw/zinc/16/55/72/986165572.db2.gz YUSWYIADRSXWOY-CTEOGUNLSA-N 1 2 404.264 3.529 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000444037409 986235203 /nfs/dbraw/zinc/23/52/03/986235203.db2.gz ZQKSLMLTTPBEDF-UHFFFAOYSA-N 1 2 421.544 3.561 20 5 HHBDLO C[C@@H]1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C[C@H]1n1cc[nH+]c1 ZINC000444224438 986410881 /nfs/dbraw/zinc/41/08/81/986410881.db2.gz KRUZXJUIUVWFOB-AUUYWEPGSA-N 1 2 404.445 3.740 20 5 HHBDLO CCO[C@@H](C)c1nc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cs1 ZINC000444233128 986420292 /nfs/dbraw/zinc/42/02/92/986420292.db2.gz BEMMCDQQDKLYRD-AWEZNQCLSA-N 1 2 406.508 3.918 20 5 HHBDLO CCO[C@@H](C)c1nc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cs1 ZINC000444233128 986420297 /nfs/dbraw/zinc/42/02/97/986420297.db2.gz BEMMCDQQDKLYRD-AWEZNQCLSA-N 1 2 406.508 3.918 20 5 HHBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000444240265 986431453 /nfs/dbraw/zinc/43/14/53/986431453.db2.gz IOMGQZNLQWTAND-MRXNPFEDSA-N 1 2 400.482 3.510 20 5 HHBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444252899 986448981 /nfs/dbraw/zinc/44/89/81/986448981.db2.gz XSSPRAYMQSFZOC-OAHLLOKOSA-N 1 2 418.472 3.649 20 5 HHBDLO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)cc1 ZINC000444659783 986842569 /nfs/dbraw/zinc/84/25/69/986842569.db2.gz FDBIUQUOAUKQCG-INIZCTEOSA-N 1 2 422.489 3.813 20 5 HHBDLO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)cc1 ZINC000444659783 986842583 /nfs/dbraw/zinc/84/25/83/986842583.db2.gz FDBIUQUOAUKQCG-INIZCTEOSA-N 1 2 422.489 3.813 20 5 HHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H](Oc4ccc(C(F)(F)F)cn4)C3)nc2c1 ZINC000444684703 986864840 /nfs/dbraw/zinc/86/48/40/986864840.db2.gz LFOZENCMTCQNCW-CYBMUJFWSA-N 1 2 407.352 3.538 20 5 HHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H](Oc4ccc(C(F)(F)F)cn4)C3)nc2c1 ZINC000444684703 986864849 /nfs/dbraw/zinc/86/48/49/986864849.db2.gz LFOZENCMTCQNCW-CYBMUJFWSA-N 1 2 407.352 3.538 20 5 HHBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470154087 988064452 /nfs/dbraw/zinc/06/44/52/988064452.db2.gz YYQOUCJKTZXEOQ-UHFFFAOYSA-N 1 2 401.442 3.899 20 5 HHBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000470179038 988095855 /nfs/dbraw/zinc/09/58/55/988095855.db2.gz RMJHIUMINUKIPI-RVDMUPIBSA-N 1 2 401.413 3.734 20 5 HHBDLO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000464693612 988902583 /nfs/dbraw/zinc/90/25/83/988902583.db2.gz GIMUKNADTYNNIJ-KNQAVFIVSA-N 1 2 420.469 3.987 20 5 HHBDLO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)o1 ZINC000464836499 989079082 /nfs/dbraw/zinc/07/90/82/989079082.db2.gz SDPKSFHPJMZLMG-WBMJQRKESA-N 1 2 401.419 3.637 20 5 HHBDLO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)o1 ZINC000464836499 989079094 /nfs/dbraw/zinc/07/90/94/989079094.db2.gz SDPKSFHPJMZLMG-WBMJQRKESA-N 1 2 401.419 3.637 20 5 HHBDLO COc1ccc(NC(=O)C[NH2+][C@H](c2ccc(C)cc2)c2ccccn2)c([N+](=O)[O-])c1 ZINC000471081424 989175611 /nfs/dbraw/zinc/17/56/11/989175611.db2.gz PDWDMTLDJWYUGN-JOCHJYFZSA-N 1 2 406.442 3.625 20 5 HHBDLO COCCC[C@H](Cc1ccccc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000471330233 989490336 /nfs/dbraw/zinc/49/03/36/989490336.db2.gz RAWXGELUTUWQMV-LJQANCHMSA-N 1 2 408.458 3.548 20 5 HHBDLO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000471607989 989812369 /nfs/dbraw/zinc/81/23/69/989812369.db2.gz ANELRDQYLSDWGR-QFBILLFUSA-N 1 2 407.474 3.793 20 5 HHBDLO O=C([C@@H]1CCSC1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000474208720 995204022 /nfs/dbraw/zinc/20/40/22/995204022.db2.gz FHOKXAWUZXKLDR-OAHLLOKOSA-N 1 2 417.556 3.721 20 5 HHBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000482699871 995690015 /nfs/dbraw/zinc/69/00/15/995690015.db2.gz ONKJYQPYNPCEJF-AEFFLSMTSA-N 1 2 407.257 3.868 20 5 HHBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000482699871 995690020 /nfs/dbraw/zinc/69/00/20/995690020.db2.gz ONKJYQPYNPCEJF-AEFFLSMTSA-N 1 2 407.257 3.868 20 5 HHBDLO CCOc1cc(N2CC[NH+](Cc3cnn(Cc4ccccc4)c3)CC2)ccc1[N+](=O)[O-] ZINC000475506708 996188183 /nfs/dbraw/zinc/18/81/83/996188183.db2.gz IMWVKXFVMRJWQP-UHFFFAOYSA-N 1 2 421.501 3.561 20 5 HHBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000484111524 996576600 /nfs/dbraw/zinc/57/66/00/996576600.db2.gz LRKXZYKTCFWVQO-UHFFFAOYSA-N 1 2 414.531 3.707 20 5 HHBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000484498674 996824526 /nfs/dbraw/zinc/82/45/26/996824526.db2.gz FHCQNHHEXNABJU-AWEZNQCLSA-N 1 2 413.865 3.875 20 5 HHBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000485723624 998195188 /nfs/dbraw/zinc/19/51/88/998195188.db2.gz POZLMFPLKLOJJE-SJLPKXTDSA-N 1 2 407.442 3.770 20 5 HHBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000485723624 998195193 /nfs/dbraw/zinc/19/51/93/998195193.db2.gz POZLMFPLKLOJJE-SJLPKXTDSA-N 1 2 407.442 3.770 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000485881484 998336648 /nfs/dbraw/zinc/33/66/48/998336648.db2.gz MWQSBJFMBCRBIY-NSHDSACASA-N 1 2 401.414 3.657 20 5 HHBDLO CCc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)CCC2 ZINC000478037070 998727318 /nfs/dbraw/zinc/72/73/18/998727318.db2.gz XMPQRXRIAREENA-KRWDZBQOSA-N 1 2 400.504 3.512 20 5 HHBDLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)CCC2 ZINC000478037070 998727322 /nfs/dbraw/zinc/72/73/22/998727322.db2.gz XMPQRXRIAREENA-KRWDZBQOSA-N 1 2 400.504 3.512 20 5 HHBDLO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CC[NH+](C2CC2)CC1 ZINC000486393957 998744742 /nfs/dbraw/zinc/74/47/42/998744742.db2.gz ODKCDOWKWYXSDB-UHFFFAOYSA-N 1 2 414.893 3.781 20 5 HHBDLO Cc1c(CNC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cccc1[N+](=O)[O-] ZINC000478672942 999081333 /nfs/dbraw/zinc/08/13/33/999081333.db2.gz YFZPUYYLVCIUCA-MRXNPFEDSA-N 1 2 418.444 3.645 20 5 HHBDLO Cc1c(CNC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cccc1[N+](=O)[O-] ZINC000478672942 999081336 /nfs/dbraw/zinc/08/13/36/999081336.db2.gz YFZPUYYLVCIUCA-MRXNPFEDSA-N 1 2 418.444 3.645 20 5 HHBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000479252513 999348071 /nfs/dbraw/zinc/34/80/71/999348071.db2.gz KQPRZLKBTRAPDW-UHFFFAOYSA-N 1 2 415.515 3.544 20 5 HHBDLO CCOCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 ZINC000488329238 999443263 /nfs/dbraw/zinc/44/32/63/999443263.db2.gz WKNXIXBVMQRUKV-UHFFFAOYSA-N 1 2 415.515 3.540 20 5 HHBDLO COc1cc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cc([N+](=O)[O-])c1C ZINC000479636873 999513551 /nfs/dbraw/zinc/51/35/51/999513551.db2.gz NOZIEZJAJSMDFA-UHFFFAOYSA-N 1 2 404.492 3.853 20 5 HHBDLO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000479784380 999590569 /nfs/dbraw/zinc/59/05/69/999590569.db2.gz OMUJKIDNWMSJBO-CYFNAFFESA-N 1 2 418.444 3.987 20 5 HHBDLO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000479784380 999590572 /nfs/dbraw/zinc/59/05/72/999590572.db2.gz OMUJKIDNWMSJBO-CYFNAFFESA-N 1 2 418.444 3.987 20 5 HHBDLO COc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000479971901 999669169 /nfs/dbraw/zinc/66/91/69/999669169.db2.gz UJXXAIHZKKDUGB-HNNXBMFYSA-N 1 2 403.866 3.902 20 5 HHBDLO COc1ccccc1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000479971901 999669172 /nfs/dbraw/zinc/66/91/72/999669172.db2.gz UJXXAIHZKKDUGB-HNNXBMFYSA-N 1 2 403.866 3.902 20 5 HHBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)no1 ZINC000480224801 999749759 /nfs/dbraw/zinc/74/97/59/999749759.db2.gz JYWXOLLJWWIICY-CQSZACIVSA-N 1 2 424.299 3.540 20 5 HHBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)no1 ZINC000480224801 999749760 /nfs/dbraw/zinc/74/97/60/999749760.db2.gz JYWXOLLJWWIICY-CQSZACIVSA-N 1 2 424.299 3.540 20 5 HHBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccccc1Br ZINC000490050767 999885492 /nfs/dbraw/zinc/88/54/92/999885492.db2.gz SEFBUBRXLFWTTF-UHFFFAOYSA-N 1 2 404.264 3.960 20 5 HHBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccccc1Br ZINC000490050767 999885494 /nfs/dbraw/zinc/88/54/94/999885494.db2.gz SEFBUBRXLFWTTF-UHFFFAOYSA-N 1 2 404.264 3.960 20 5 HHBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N[C@@H](c1nccs1)c1ccccc1 ZINC000490817182 1000011038 /nfs/dbraw/zinc/01/10/38/1000011038.db2.gz GBMBAMWXUWYTQG-OAQYLSRUSA-N 1 2 422.510 3.922 20 5 HHBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N[C@@H](c1nccs1)c1ccccc1 ZINC000490817182 1000011040 /nfs/dbraw/zinc/01/10/40/1000011040.db2.gz GBMBAMWXUWYTQG-OAQYLSRUSA-N 1 2 422.510 3.922 20 5 HHBDLO CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000490823087 1000011956 /nfs/dbraw/zinc/01/19/56/1000011956.db2.gz RNLRNMIPZRMBMW-UHFFFAOYSA-N 1 2 424.501 3.680 20 5 HHBDLO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000490823087 1000011959 /nfs/dbraw/zinc/01/19/59/1000011959.db2.gz RNLRNMIPZRMBMW-UHFFFAOYSA-N 1 2 424.501 3.680 20 5 HHBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)cc1[N+](=O)[O-] ZINC000504911328 1000443786 /nfs/dbraw/zinc/44/37/86/1000443786.db2.gz DYBZPOOGDQPIAF-LLVKDONJSA-N 1 2 409.368 3.906 20 5 HHBDLO O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000505232102 1000635031 /nfs/dbraw/zinc/63/50/31/1000635031.db2.gz SULSFGLPKUIGJQ-LEWJYISDSA-N 1 2 422.441 3.715 20 5 HHBDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCS1 ZINC000494900996 1000720971 /nfs/dbraw/zinc/72/09/71/1000720971.db2.gz CQPKSMFMEQEGDU-IUODEOHRSA-N 1 2 406.533 3.873 20 5 HHBDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCS1 ZINC000494900996 1000720975 /nfs/dbraw/zinc/72/09/75/1000720975.db2.gz CQPKSMFMEQEGDU-IUODEOHRSA-N 1 2 406.533 3.873 20 5 HHBDLO COc1ccccc1[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH2+]1 ZINC000505498300 1000835835 /nfs/dbraw/zinc/83/58/35/1000835835.db2.gz JIJVJAZMNVELKQ-KRWDZBQOSA-N 1 2 424.482 3.514 20 5 HHBDLO CC(C)CCSc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000505578015 1000917450 /nfs/dbraw/zinc/91/74/50/1000917450.db2.gz DAYJQRURJSWWBN-GOSISDBHSA-N 1 2 414.531 3.915 20 5 HHBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505883958 1001079602 /nfs/dbraw/zinc/07/96/02/1001079602.db2.gz FEKGEUOKQVVKKA-GJZGRUSLSA-N 1 2 403.866 3.976 20 5 HHBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505883958 1001079609 /nfs/dbraw/zinc/07/96/09/1001079609.db2.gz FEKGEUOKQVVKKA-GJZGRUSLSA-N 1 2 403.866 3.976 20 5 HHBDLO Cc1c(C[NH+]2CCN([C@H](C)c3nc(-c4cccs4)no3)CC2)cccc1[N+](=O)[O-] ZINC000497365064 1001313042 /nfs/dbraw/zinc/31/30/42/1001313042.db2.gz HIFZRIMXDIIDTP-OAHLLOKOSA-N 1 2 413.503 3.894 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000497469918 1001383740 /nfs/dbraw/zinc/38/37/40/1001383740.db2.gz OUGRTZRGQHYMIB-PKOBYXMFSA-N 1 2 409.820 3.631 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000497469918 1001383746 /nfs/dbraw/zinc/38/37/46/1001383746.db2.gz OUGRTZRGQHYMIB-PKOBYXMFSA-N 1 2 409.820 3.631 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000497485502 1001393139 /nfs/dbraw/zinc/39/31/39/1001393139.db2.gz IWOLEKILRJOLIK-IEBWSBKVSA-N 1 2 400.385 3.530 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000497485502 1001393142 /nfs/dbraw/zinc/39/31/42/1001393142.db2.gz IWOLEKILRJOLIK-IEBWSBKVSA-N 1 2 400.385 3.530 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497485821 1001393834 /nfs/dbraw/zinc/39/38/34/1001393834.db2.gz KZNWBAHQZUYAMG-APWZRJJASA-N 1 2 401.369 3.794 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497485821 1001393842 /nfs/dbraw/zinc/39/38/42/1001393842.db2.gz KZNWBAHQZUYAMG-APWZRJJASA-N 1 2 401.369 3.794 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000497487362 1001394853 /nfs/dbraw/zinc/39/48/53/1001394853.db2.gz ALDQHQFWHVYMJG-PKOBYXMFSA-N 1 2 407.442 3.527 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000497487362 1001394858 /nfs/dbraw/zinc/39/48/58/1001394858.db2.gz ALDQHQFWHVYMJG-PKOBYXMFSA-N 1 2 407.442 3.527 20 5 HHBDLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506772981 1001522566 /nfs/dbraw/zinc/52/25/66/1001522566.db2.gz CIJPNZOFRPUGDS-UHFFFAOYSA-N 1 2 407.474 3.628 20 5 HHBDLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506772981 1001522568 /nfs/dbraw/zinc/52/25/68/1001522568.db2.gz CIJPNZOFRPUGDS-UHFFFAOYSA-N 1 2 407.474 3.628 20 5 HHBDLO COCCOc1cc2c(cc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)OCO2 ZINC000507153697 1001842415 /nfs/dbraw/zinc/84/24/15/1001842415.db2.gz DPPJQCSCIAYRAQ-UHFFFAOYSA-N 1 2 400.431 3.513 20 5 HHBDLO COCCOc1cc2c(cc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)OCO2 ZINC000507153697 1001842424 /nfs/dbraw/zinc/84/24/24/1001842424.db2.gz DPPJQCSCIAYRAQ-UHFFFAOYSA-N 1 2 400.431 3.513 20 5 HHBDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000498829799 1002214689 /nfs/dbraw/zinc/21/46/89/1002214689.db2.gz ZLDHESLHHMZDBL-ZWKOTPCHSA-N 1 2 424.284 3.703 20 5 HHBDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000498829799 1002214699 /nfs/dbraw/zinc/21/46/99/1002214699.db2.gz ZLDHESLHHMZDBL-ZWKOTPCHSA-N 1 2 424.284 3.703 20 5 HHBDLO O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000498887929 1002275441 /nfs/dbraw/zinc/27/54/41/1002275441.db2.gz RCAOEJAROSHDBT-OAQYLSRUSA-N 1 2 417.400 3.834 20 5 HHBDLO Cc1c(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000499168317 1002554636 /nfs/dbraw/zinc/55/46/36/1002554636.db2.gz OWJGWSRVLZCLOB-RBUKOAKNSA-N 1 2 418.881 3.750 20 5 HHBDLO Cc1c(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000499168317 1002554646 /nfs/dbraw/zinc/55/46/46/1002554646.db2.gz OWJGWSRVLZCLOB-RBUKOAKNSA-N 1 2 418.881 3.750 20 5 HHBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000499726121 1003073985 /nfs/dbraw/zinc/07/39/85/1003073985.db2.gz NCVMPWBLALQNEE-INIZCTEOSA-N 1 2 406.845 3.536 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000500022692 1003349074 /nfs/dbraw/zinc/34/90/74/1003349074.db2.gz OWJNQBOTEURHKA-YJBOKZPZSA-N 1 2 406.845 3.535 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000500022692 1003349078 /nfs/dbraw/zinc/34/90/78/1003349078.db2.gz OWJNQBOTEURHKA-YJBOKZPZSA-N 1 2 406.845 3.535 20 5 HHBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)CC2)c1 ZINC000509072558 1003533001 /nfs/dbraw/zinc/53/30/01/1003533001.db2.gz UYPHQJJOAWLISC-HNNXBMFYSA-N 1 2 414.462 3.523 20 5 HHBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000509296777 1003691062 /nfs/dbraw/zinc/69/10/62/1003691062.db2.gz PIDJEHHVUHMYCV-UHFFFAOYSA-N 1 2 407.474 3.960 20 5 HHBDLO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000509354794 1003785342 /nfs/dbraw/zinc/78/53/42/1003785342.db2.gz BRBNUSBQDRMDCF-UHFFFAOYSA-N 1 2 407.392 3.541 20 5 HHBDLO Cc1c(Br)cc(C(=O)NCC[N@@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000509637955 1003996723 /nfs/dbraw/zinc/99/67/23/1003996723.db2.gz RNVPLWVGTDEDPH-UHFFFAOYSA-N 1 2 424.320 3.515 20 5 HHBDLO Cc1c(Br)cc(C(=O)NCC[N@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000509637955 1003996729 /nfs/dbraw/zinc/99/67/29/1003996729.db2.gz RNVPLWVGTDEDPH-UHFFFAOYSA-N 1 2 424.320 3.515 20 5 HHBDLO COc1cccc(C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]2CCCO2)c1 ZINC000512082610 1004008569 /nfs/dbraw/zinc/00/85/69/1004008569.db2.gz FZAUHEGTVUNCEZ-OAQYLSRUSA-N 1 2 414.458 3.651 20 5 HHBDLO COc1cccc(C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]2CCCO2)c1 ZINC000512082610 1004008578 /nfs/dbraw/zinc/00/85/78/1004008578.db2.gz FZAUHEGTVUNCEZ-OAQYLSRUSA-N 1 2 414.458 3.651 20 5 HHBDLO O=C(CC[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500977902 1004091190 /nfs/dbraw/zinc/09/11/90/1004091190.db2.gz LZAUABZIMVUZHP-SFHVURJKSA-N 1 2 421.400 3.598 20 5 HHBDLO O=C(CC[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500977902 1004091194 /nfs/dbraw/zinc/09/11/94/1004091194.db2.gz LZAUABZIMVUZHP-SFHVURJKSA-N 1 2 421.400 3.598 20 5 HHBDLO O=C(CC[N@@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501039331 1004142052 /nfs/dbraw/zinc/14/20/52/1004142052.db2.gz WHHLCPUWMAYNNG-SFHVURJKSA-N 1 2 421.400 3.598 20 5 HHBDLO O=C(CC[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501039331 1004142054 /nfs/dbraw/zinc/14/20/54/1004142054.db2.gz WHHLCPUWMAYNNG-SFHVURJKSA-N 1 2 421.400 3.598 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000512433084 1004299048 /nfs/dbraw/zinc/29/90/48/1004299048.db2.gz JVHIQDPFFHCIIN-KRWDZBQOSA-N 1 2 402.426 3.529 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000512433084 1004299052 /nfs/dbraw/zinc/29/90/52/1004299052.db2.gz JVHIQDPFFHCIIN-KRWDZBQOSA-N 1 2 402.426 3.529 20 5 HHBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000510723969 1004817533 /nfs/dbraw/zinc/81/75/33/1004817533.db2.gz UUBGQEZRAQHODY-QRQCRPRQSA-N 1 2 406.442 3.880 20 5 HHBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000510723969 1004817537 /nfs/dbraw/zinc/81/75/37/1004817537.db2.gz UUBGQEZRAQHODY-QRQCRPRQSA-N 1 2 406.442 3.880 20 5 HHBDLO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[NH+](Cc2ccco2)CC1 ZINC000502096517 1004901451 /nfs/dbraw/zinc/90/14/51/1004901451.db2.gz HYSYPFPZUDBZJR-UHFFFAOYSA-N 1 2 417.263 3.821 20 5 HHBDLO COc1ccccc1C[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000513381900 1004935754 /nfs/dbraw/zinc/93/57/54/1004935754.db2.gz UTJDKGFKYRVKPG-UHFFFAOYSA-N 1 2 407.417 3.523 20 5 HHBDLO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000513415677 1004954581 /nfs/dbraw/zinc/95/45/81/1004954581.db2.gz KKYSUJMSNAHVHJ-QGZVFWFLSA-N 1 2 410.430 3.697 20 5 HHBDLO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000513415677 1004954587 /nfs/dbraw/zinc/95/45/87/1004954587.db2.gz KKYSUJMSNAHVHJ-QGZVFWFLSA-N 1 2 410.430 3.697 20 5 HHBDLO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513999022 1005221180 /nfs/dbraw/zinc/22/11/80/1005221180.db2.gz IOBISBUKRNZMHT-GOSISDBHSA-N 1 2 414.893 3.635 20 5 HHBDLO CCc1ncc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 ZINC000514176233 1005299074 /nfs/dbraw/zinc/29/90/74/1005299074.db2.gz MQVZEJUSNCWWLZ-UHFFFAOYSA-N 1 2 400.426 3.955 20 5 HHBDLO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000503059975 1005331707 /nfs/dbraw/zinc/33/17/07/1005331707.db2.gz HNLNLRZEYOUWET-IBGZPJMESA-N 1 2 417.531 3.762 20 5 HHBDLO CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@H](S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000503059975 1005331713 /nfs/dbraw/zinc/33/17/13/1005331713.db2.gz HNLNLRZEYOUWET-IBGZPJMESA-N 1 2 417.531 3.762 20 5 HHBDLO C[C@H](Nc1ccc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000534467422 1006452895 /nfs/dbraw/zinc/45/28/95/1006452895.db2.gz JKINYWSBSGNDHC-RDJZCZTQSA-N 1 2 420.473 3.526 20 5 HHBDLO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]([C@@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])C3)nc2c1 ZINC000534952166 1006996528 /nfs/dbraw/zinc/99/65/28/1006996528.db2.gz TVDWGBOERWDWHT-JKSUJKDBSA-N 1 2 407.474 3.986 20 5 HHBDLO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]([C@@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])C3)nc2c1 ZINC000534952166 1006996535 /nfs/dbraw/zinc/99/65/35/1006996535.db2.gz TVDWGBOERWDWHT-JKSUJKDBSA-N 1 2 407.474 3.986 20 5 HHBDLO Cc1ccc2nc([C@@H]3CCC[N@@H+]([C@@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000534952166 1006996541 /nfs/dbraw/zinc/99/65/41/1006996541.db2.gz TVDWGBOERWDWHT-JKSUJKDBSA-N 1 2 407.474 3.986 20 5 HHBDLO Cc1ccc2nc([C@@H]3CCC[N@H+]([C@@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000534952166 1006996551 /nfs/dbraw/zinc/99/65/51/1006996551.db2.gz TVDWGBOERWDWHT-JKSUJKDBSA-N 1 2 407.474 3.986 20 5 HHBDLO COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000516342603 1007029358 /nfs/dbraw/zinc/02/93/58/1007029358.db2.gz QCBOXVJRGUBLEC-IBGZPJMESA-N 1 2 401.850 3.646 20 5 HHBDLO O=C1[C@@H]([NH+]2CCC(Oc3ccc(F)cc3F)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000532919223 1007292135 /nfs/dbraw/zinc/29/21/35/1007292135.db2.gz PXDFYIBGXHILKP-IBGZPJMESA-N 1 2 417.412 3.522 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2nc(CNc3ccc[nH+]c3N3CCC(O)CC3)cs2)c1 ZINC000539103301 1007391513 /nfs/dbraw/zinc/39/15/13/1007391513.db2.gz NUGSVTXVGUMWLR-UHFFFAOYSA-N 1 2 411.487 3.687 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(Nc3cccc(C)c3)CC2)c([N+](=O)[O-])c1 ZINC000533070722 1007432258 /nfs/dbraw/zinc/43/22/58/1007432258.db2.gz KAMRCSWVKVQIDF-INIZCTEOSA-N 1 2 412.490 3.815 20 5 HHBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000539297652 1007595237 /nfs/dbraw/zinc/59/52/37/1007595237.db2.gz MEIKKTNUPRBBKE-UHFFFAOYSA-N 1 2 400.504 3.889 20 5 HHBDLO CC(C)([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1nccs1 ZINC000533382328 1007694985 /nfs/dbraw/zinc/69/49/85/1007694985.db2.gz KZIDHGPROQAHPB-UHFFFAOYSA-N 1 2 403.489 3.638 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000533440124 1007756232 /nfs/dbraw/zinc/75/62/32/1007756232.db2.gz PZNHOZLSCITQNZ-UHFFFAOYSA-N 1 2 408.502 3.616 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535867271 1007884019 /nfs/dbraw/zinc/88/40/19/1007884019.db2.gz OBOYFWJHPSXRQU-ROUUACIJSA-N 1 2 406.845 3.632 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535867271 1007884024 /nfs/dbraw/zinc/88/40/24/1007884024.db2.gz OBOYFWJHPSXRQU-ROUUACIJSA-N 1 2 406.845 3.632 20 5 HHBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000533701192 1008025039 /nfs/dbraw/zinc/02/50/39/1008025039.db2.gz WIFJOPPNKHLSQP-SFHVURJKSA-N 1 2 405.458 3.570 20 5 HHBDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000536041974 1008075110 /nfs/dbraw/zinc/07/51/10/1008075110.db2.gz MKMOLCDCAJBGBB-UHFFFAOYSA-N 1 2 400.398 3.639 20 5 HHBDLO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H](C)CS(C)(=O)=O ZINC000539839543 1008131256 /nfs/dbraw/zinc/13/12/56/1008131256.db2.gz LORLVSBWVSBJKB-GFCCVEGCSA-N 1 2 400.884 3.763 20 5 HHBDLO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H](C)CS(C)(=O)=O ZINC000539839543 1008131259 /nfs/dbraw/zinc/13/12/59/1008131259.db2.gz LORLVSBWVSBJKB-GFCCVEGCSA-N 1 2 400.884 3.763 20 5 HHBDLO CC1CC[NH+](CCc2cccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)CC1 ZINC000539855028 1008142593 /nfs/dbraw/zinc/14/25/93/1008142593.db2.gz UYQZQRZIFZFKLX-UHFFFAOYSA-N 1 2 403.504 3.670 20 5 HHBDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000533841127 1008149052 /nfs/dbraw/zinc/14/90/52/1008149052.db2.gz VSJDFFUOWBOTDL-UHFFFAOYSA-N 1 2 418.409 3.534 20 5 HHBDLO COc1ccc(CC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1[N+](=O)[O-] ZINC000533841768 1008150031 /nfs/dbraw/zinc/15/00/31/1008150031.db2.gz VLOOMBMYRBAGED-UHFFFAOYSA-N 1 2 404.426 3.700 20 5 HHBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000539918901 1008184511 /nfs/dbraw/zinc/18/45/11/1008184511.db2.gz XVYVNABFQTYPIU-YLJYHZDGSA-N 1 2 403.429 3.973 20 5 HHBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000539918901 1008184513 /nfs/dbraw/zinc/18/45/13/1008184513.db2.gz XVYVNABFQTYPIU-YLJYHZDGSA-N 1 2 403.429 3.973 20 5 HHBDLO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](CC)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000540225908 1008343513 /nfs/dbraw/zinc/34/35/13/1008343513.db2.gz IRYPMBZQSGVREO-PBHICJAKSA-N 1 2 423.876 3.628 20 5 HHBDLO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](CC)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000540225908 1008343515 /nfs/dbraw/zinc/34/35/15/1008343515.db2.gz IRYPMBZQSGVREO-PBHICJAKSA-N 1 2 423.876 3.628 20 5 HHBDLO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](CC)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000540225912 1008343540 /nfs/dbraw/zinc/34/35/40/1008343540.db2.gz IRYPMBZQSGVREO-YOEHRIQHSA-N 1 2 423.876 3.628 20 5 HHBDLO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](CC)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000540225912 1008343541 /nfs/dbraw/zinc/34/35/41/1008343541.db2.gz IRYPMBZQSGVREO-YOEHRIQHSA-N 1 2 423.876 3.628 20 5 HHBDLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000518646062 1008378234 /nfs/dbraw/zinc/37/82/34/1008378234.db2.gz HCWBEURPJJNFJL-UHFFFAOYSA-N 1 2 421.457 3.723 20 5 HHBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000519086769 1008525782 /nfs/dbraw/zinc/52/57/82/1008525782.db2.gz OCLIRBDRBAOFLN-QGZVFWFLSA-N 1 2 414.481 3.831 20 5 HHBDLO C[N@H+](CCc1ccccc1O)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000543253274 1008821256 /nfs/dbraw/zinc/82/12/56/1008821256.db2.gz OPNXUZNPCWCHMO-UHFFFAOYSA-N 1 2 412.471 3.537 20 5 HHBDLO C[N@@H+](CCc1ccccc1O)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000543253274 1008821274 /nfs/dbraw/zinc/82/12/74/1008821274.db2.gz OPNXUZNPCWCHMO-UHFFFAOYSA-N 1 2 412.471 3.537 20 5 HHBDLO O=C1Nc2cc(Cl)ccc2[C@H]1C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000549405516 1008993049 /nfs/dbraw/zinc/99/30/49/1008993049.db2.gz VQELMZSDEGUZQS-LJQANCHMSA-N 1 2 401.850 3.902 20 5 HHBDLO COc1cccc([C@@H]2[C@@H](NCc3nc4cc([N+](=O)[O-])ccc4o3)CC[N@@H+]2C2CC2)c1 ZINC000549476704 1009073174 /nfs/dbraw/zinc/07/31/74/1009073174.db2.gz OPMSBDGQDYVPMW-PGRDOPGGSA-N 1 2 408.458 3.812 20 5 HHBDLO COc1cccc([C@@H]2[C@@H](NCc3nc4cc([N+](=O)[O-])ccc4o3)CC[N@H+]2C2CC2)c1 ZINC000549476704 1009073181 /nfs/dbraw/zinc/07/31/81/1009073181.db2.gz OPMSBDGQDYVPMW-PGRDOPGGSA-N 1 2 408.458 3.812 20 5 HHBDLO Cc1cc(Br)cn2cc(CCNC(=O)c3cc([N+](=O)[O-])ccc3C)[nH+]c12 ZINC000546060884 1009085376 /nfs/dbraw/zinc/08/53/76/1009085376.db2.gz VBNXHJYSIXZKIF-UHFFFAOYSA-N 1 2 417.263 3.594 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543863880 1009431243 /nfs/dbraw/zinc/43/12/43/1009431243.db2.gz IHSPMFUQFWLSMX-WMZOPIPTSA-N 1 2 408.380 3.969 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543863880 1009431247 /nfs/dbraw/zinc/43/12/47/1009431247.db2.gz IHSPMFUQFWLSMX-WMZOPIPTSA-N 1 2 408.380 3.969 20 5 HHBDLO COc1ccc(C(C)(C)CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1OC ZINC000521575168 1010474375 /nfs/dbraw/zinc/47/43/75/1010474375.db2.gz PTZQPVCSTIAKJP-UHFFFAOYSA-N 1 2 424.457 3.505 20 5 HHBDLO CN(c1ccccc1)c1ccc(C[NH+]2CCN(c3ncc(F)cn3)CC2)cc1[N+](=O)[O-] ZINC000544938181 1010505225 /nfs/dbraw/zinc/50/52/25/1010505225.db2.gz LKCDOSMAEVWIBD-UHFFFAOYSA-N 1 2 422.464 3.614 20 5 HHBDLO COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000551552652 1010656742 /nfs/dbraw/zinc/65/67/42/1010656742.db2.gz LFAHPTZWCBMSGX-LJQANCHMSA-N 1 2 406.442 3.939 20 5 HHBDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522552525 1011076694 /nfs/dbraw/zinc/07/66/94/1011076694.db2.gz ONZORYWDSZAVRS-QGZVFWFLSA-N 1 2 403.910 3.971 20 5 HHBDLO C[C@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H](C)[NH+]1CCOCC1 ZINC000522709772 1011171424 /nfs/dbraw/zinc/17/14/24/1011171424.db2.gz YLCYNCQOVCZBFU-HOTGVXAUSA-N 1 2 414.462 3.618 20 5 HHBDLO CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000536402337 1011612115 /nfs/dbraw/zinc/61/21/15/1011612115.db2.gz VVBSYTRWTQQFBN-GOSISDBHSA-N 1 2 422.441 3.547 20 5 HHBDLO CCOc1cc(N2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)ccc1[N+](=O)[O-] ZINC000536645559 1011794771 /nfs/dbraw/zinc/79/47/71/1011794771.db2.gz HNKTXXMKBXJMOO-UHFFFAOYSA-N 1 2 407.474 3.501 20 5 HHBDLO Cc1nc(-c2cc3c(s2)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C3)cs1 ZINC000536791831 1012009392 /nfs/dbraw/zinc/00/93/92/1012009392.db2.gz WDJCFHFQYVVLBM-UHFFFAOYSA-N 1 2 414.512 3.745 20 5 HHBDLO Cc1nc(-c2cc3c(s2)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C3)cs1 ZINC000536791831 1012009410 /nfs/dbraw/zinc/00/94/10/1012009410.db2.gz WDJCFHFQYVVLBM-UHFFFAOYSA-N 1 2 414.512 3.745 20 5 HHBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000552395944 1012407717 /nfs/dbraw/zinc/40/77/17/1012407717.db2.gz WSEZRRZFOMDGKB-SNVBAGLBSA-N 1 2 407.268 3.947 20 5 HHBDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)CC2 ZINC000552395944 1012407725 /nfs/dbraw/zinc/40/77/25/1012407725.db2.gz WSEZRRZFOMDGKB-SNVBAGLBSA-N 1 2 407.268 3.947 20 5 HHBDLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)s1 ZINC000541673287 1012502605 /nfs/dbraw/zinc/50/26/05/1012502605.db2.gz SUDHPECWDAVOLF-AWEZNQCLSA-N 1 2 405.495 3.806 20 5 HHBDLO Cc1nc(NCc2cccc(C(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)c2)cc[nH+]1 ZINC000541719373 1012569710 /nfs/dbraw/zinc/56/97/10/1012569710.db2.gz FOZMBEYHHNEZQS-UHFFFAOYSA-N 1 2 403.442 3.504 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000537212657 1012635926 /nfs/dbraw/zinc/63/59/26/1012635926.db2.gz ZJUFTNLZWNJUGS-UHFFFAOYSA-N 1 2 417.469 3.972 20 5 HHBDLO Cc1noc([C@@H](C)[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000552760014 1012767874 /nfs/dbraw/zinc/76/78/74/1012767874.db2.gz JWVATUVTNRKRIK-CQSZACIVSA-N 1 2 404.430 3.990 20 5 HHBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc(N2CCCCC2)nc1 ZINC000537517359 1013031925 /nfs/dbraw/zinc/03/19/25/1013031925.db2.gz IEROBYNCOWUOEH-UHFFFAOYSA-N 1 2 409.490 3.583 20 5 HHBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc(N2CCCCC2)nc1 ZINC000537517359 1013031937 /nfs/dbraw/zinc/03/19/37/1013031937.db2.gz IEROBYNCOWUOEH-UHFFFAOYSA-N 1 2 409.490 3.583 20 5 HHBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(Cc3ccc(Br)c(F)c3)CC2)c1 ZINC001168351775 1072533914 /nfs/dbraw/zinc/53/39/14/1072533914.db2.gz XKYHKFHETYRDNZ-UHFFFAOYSA-N 1 2 408.271 3.814 20 5 HHBDLO CCC[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(OC)c3)c2C1 ZINC000479144526 1072765356 /nfs/dbraw/zinc/76/53/56/1072765356.db2.gz PHRJXSOTGIGZMY-CQSZACIVSA-N 1 2 419.503 3.908 20 5 HHBDLO CCC[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(OC)c3)c2C1 ZINC000479144526 1072765374 /nfs/dbraw/zinc/76/53/74/1072765374.db2.gz PHRJXSOTGIGZMY-CQSZACIVSA-N 1 2 419.503 3.908 20 5 HHBDLO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)cc1 ZINC000588212029 1072915248 /nfs/dbraw/zinc/91/52/48/1072915248.db2.gz VSANYGDANNZUCR-QZTJIDSGSA-N 1 2 402.451 3.825 20 5 HHBDLO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)cc1 ZINC000588212029 1072915252 /nfs/dbraw/zinc/91/52/52/1072915252.db2.gz VSANYGDANNZUCR-QZTJIDSGSA-N 1 2 402.451 3.825 20 5 HHBDLO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F)OCCO2 ZINC000588929887 1073347270 /nfs/dbraw/zinc/34/72/70/1073347270.db2.gz KJEBQWRNGICHDD-UHFFFAOYSA-N 1 2 404.291 3.953 20 5 HHBDLO COC(=O)c1c(Cl)c(NCc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1[N+](=O)[O-] ZINC000590574468 1073923722 /nfs/dbraw/zinc/92/37/22/1073923722.db2.gz DSWWHYZLSRHTDW-UHFFFAOYSA-N 1 2 404.785 3.972 20 5 HHBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1ncc([N+](=O)[O-])cc1Br ZINC000301530745 970969463 /nfs/dbraw/zinc/96/94/63/970969463.db2.gz KZCNUZJOXGYLPJ-UHFFFAOYSA-N 1 2 420.311 3.890 20 5 HHBDLO Cc1cc([N@H+]2CCCC[C@H]2C)ccc1Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000302142336 971185824 /nfs/dbraw/zinc/18/58/24/971185824.db2.gz PLMTZEPBYXUQQA-CQSZACIVSA-N 1 2 404.492 3.673 20 5 HHBDLO Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000302142336 971185829 /nfs/dbraw/zinc/18/58/29/971185829.db2.gz PLMTZEPBYXUQQA-CQSZACIVSA-N 1 2 404.492 3.673 20 5 HHBDLO O=[N+]([O-])c1cnc(N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)nc1 ZINC000302211809 971208792 /nfs/dbraw/zinc/20/87/92/971208792.db2.gz GZUVNJPHXJOOML-HXUWFJFHSA-N 1 2 409.877 3.950 20 5 HHBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c2c(c1)COCO2 ZINC000303684269 971960701 /nfs/dbraw/zinc/96/07/01/971960701.db2.gz NKKGZETXCOCVFZ-UHFFFAOYSA-N 1 2 400.275 3.778 20 5 HHBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c2c(c1)COCO2 ZINC000303684269 971960706 /nfs/dbraw/zinc/96/07/06/971960706.db2.gz NKKGZETXCOCVFZ-UHFFFAOYSA-N 1 2 400.275 3.778 20 5 HHBDLO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000537616061 1013157263 /nfs/dbraw/zinc/15/72/63/1013157263.db2.gz UQTGKMIYPKWKGX-OAHLLOKOSA-N 1 2 402.422 3.846 20 5 HHBDLO COc1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000537616061 1013157268 /nfs/dbraw/zinc/15/72/68/1013157268.db2.gz UQTGKMIYPKWKGX-OAHLLOKOSA-N 1 2 402.422 3.846 20 5 HHBDLO C[C@H]([C@H](C)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)S(C)(=O)=O ZINC000537625712 1013174925 /nfs/dbraw/zinc/17/49/25/1013174925.db2.gz RJUJPKJKZVDHBH-NWDGAFQWSA-N 1 2 400.884 3.762 20 5 HHBDLO C[C@H]([C@H](C)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)S(C)(=O)=O ZINC000537625712 1013174934 /nfs/dbraw/zinc/17/49/34/1013174934.db2.gz RJUJPKJKZVDHBH-NWDGAFQWSA-N 1 2 400.884 3.762 20 5 HHBDLO CCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000303944933 972526639 /nfs/dbraw/zinc/52/66/39/972526639.db2.gz ZCXZURZDJPTBAA-RTBURBONSA-N 1 2 400.479 3.836 20 5 HHBDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000553363136 1013302658 /nfs/dbraw/zinc/30/26/58/1013302658.db2.gz CGYYSWAMHZLBAO-LLVKDONJSA-N 1 2 405.430 3.761 20 5 HHBDLO COc1cccc(C[N@H+](C)CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000012808837 962329816 /nfs/dbraw/zinc/32/98/16/962329816.db2.gz FXRPJRKGYIMOKE-UHFFFAOYSA-N 1 2 412.471 3.797 20 5 HHBDLO COc1cccc(C[N@@H+](C)CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000012808837 962329830 /nfs/dbraw/zinc/32/98/30/962329830.db2.gz FXRPJRKGYIMOKE-UHFFFAOYSA-N 1 2 412.471 3.797 20 5 HHBDLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2)s1 ZINC000020542099 963388886 /nfs/dbraw/zinc/38/88/86/963388886.db2.gz BYKNUPAQNLYIEA-UHFFFAOYSA-N 1 2 404.492 3.577 20 5 HHBDLO O=C(Nc1cccc(CN2CCCCC2=O)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000050475112 964334210 /nfs/dbraw/zinc/33/42/10/964334210.db2.gz ZLDQBXCBKRWMEI-UHFFFAOYSA-N 1 2 419.441 3.545 20 5 HHBDLO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051452577 964578117 /nfs/dbraw/zinc/57/81/17/964578117.db2.gz IWONFNRUJJUTFZ-UHFFFAOYSA-N 1 2 411.380 3.871 20 5 HHBDLO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051452577 964578130 /nfs/dbraw/zinc/57/81/30/964578130.db2.gz IWONFNRUJJUTFZ-UHFFFAOYSA-N 1 2 411.380 3.871 20 5 HHBDLO O=C(c1ccccc1C(F)(F)F)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052612666 964937530 /nfs/dbraw/zinc/93/75/30/964937530.db2.gz HLFRKCJSONQCEL-UHFFFAOYSA-N 1 2 407.392 3.614 20 5 HHBDLO C[C@@H](c1nnc(Sc2c([N+](=O)[O-])ncn2C)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000029004886 965238511 /nfs/dbraw/zinc/23/85/11/965238511.db2.gz QDFDRECEHJXUAN-AWEZNQCLSA-N 1 2 413.507 3.607 20 5 HHBDLO CN(c1ccccc1)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000057089105 965280566 /nfs/dbraw/zinc/28/05/66/965280566.db2.gz YJMBSRKFDQYYTB-UHFFFAOYSA-N 1 2 405.458 3.522 20 5 HHBDLO COc1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000031895393 966148073 /nfs/dbraw/zinc/14/80/73/966148073.db2.gz POYSBKGPZOXGJY-KRWDZBQOSA-N 1 2 421.856 3.963 20 5 HHBDLO CCCOc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1OC ZINC000032242843 966204437 /nfs/dbraw/zinc/20/44/37/966204437.db2.gz ZXTGJZDGHKQOEH-UHFFFAOYSA-N 1 2 410.430 3.508 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000056148760 966234222 /nfs/dbraw/zinc/23/42/22/966234222.db2.gz YVQQOAHJMCFZLQ-LJQANCHMSA-N 1 2 406.442 3.602 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000553919710 1013701189 /nfs/dbraw/zinc/70/11/89/1013701189.db2.gz QREANXSWWJRYPG-LAUBAEHRSA-N 1 2 419.428 3.512 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000553919710 1013701194 /nfs/dbraw/zinc/70/11/94/1013701194.db2.gz QREANXSWWJRYPG-LAUBAEHRSA-N 1 2 419.428 3.512 20 5 HHBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000064739801 967279302 /nfs/dbraw/zinc/27/93/02/967279302.db2.gz RUANWLYNAYJFRI-CYBMUJFWSA-N 1 2 400.822 3.518 20 5 HHBDLO O=C(c1ccccn1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000046120875 967667576 /nfs/dbraw/zinc/66/75/76/967667576.db2.gz FKBHDKPGFRZWMO-UHFFFAOYSA-N 1 2 408.483 3.676 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)cc1OC ZINC000542914772 1013754158 /nfs/dbraw/zinc/75/41/58/1013754158.db2.gz GSLGILPVOZENCM-WMZOPIPTSA-N 1 2 419.522 3.615 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](N3CCCC3=O)C2)cc1OC ZINC000542914772 1013754167 /nfs/dbraw/zinc/75/41/67/1013754167.db2.gz GSLGILPVOZENCM-WMZOPIPTSA-N 1 2 419.522 3.615 20 5 HHBDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(OC)c1 ZINC000047406688 968178725 /nfs/dbraw/zinc/17/87/25/968178725.db2.gz VBDUDEIYQBHBDD-SFHVURJKSA-N 1 2 410.430 3.999 20 5 HHBDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(OC)c1 ZINC000047406688 968178729 /nfs/dbraw/zinc/17/87/29/968178729.db2.gz VBDUDEIYQBHBDD-SFHVURJKSA-N 1 2 410.430 3.999 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047865348 968346102 /nfs/dbraw/zinc/34/61/02/968346102.db2.gz HEPNHBJMDCFESO-UHFFFAOYSA-N 1 2 407.377 3.513 20 5 HHBDLO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000072036022 968948220 /nfs/dbraw/zinc/94/82/20/968948220.db2.gz UHZOLMFRPGHXSC-GOSISDBHSA-N 1 2 421.856 3.963 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000105359075 969233503 /nfs/dbraw/zinc/23/35/03/969233503.db2.gz WDMBKBMNJTTWPJ-MRXNPFEDSA-N 1 2 413.474 3.612 20 5 HHBDLO O=[N+]([O-])c1cc(Br)ccc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000105789158 969263523 /nfs/dbraw/zinc/26/35/23/969263523.db2.gz QFYZJEGUNCXVSS-SFHVURJKSA-N 1 2 406.280 3.843 20 5 HHBDLO C[C@@H](Nc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000110278622 969646647 /nfs/dbraw/zinc/64/66/47/969646647.db2.gz RZOSQAVPFIIJRU-MRXNPFEDSA-N 1 2 420.473 3.837 20 5 HHBDLO O=[N+]([O-])c1cc(Br)ccc1N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000144946592 970247794 /nfs/dbraw/zinc/24/77/94/970247794.db2.gz KEKFFDALZKMCCW-KRWDZBQOSA-N 1 2 406.280 3.843 20 5 HHBDLO COc1cc(C[NH2+]Cc2cn3c(cccc3C)n2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237292083 970257320 /nfs/dbraw/zinc/25/73/20/970257320.db2.gz RLXLAVFQYTZKMU-UHFFFAOYSA-N 1 2 424.379 3.790 20 5 HHBDLO CN(C(=O)C[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000165135634 970456197 /nfs/dbraw/zinc/45/61/97/970456197.db2.gz FCPQSUIEXUJEGL-JOCHJYFZSA-N 1 2 418.453 3.527 20 5 HHBDLO CCn1c(C)nc([N+](=O)[O-])c1Sc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000554672603 1014007854 /nfs/dbraw/zinc/00/78/54/1014007854.db2.gz XMRAXOGKJPGCFT-LLVKDONJSA-N 1 2 419.486 3.613 20 5 HHBDLO O=[N+]([O-])c1cnc(N2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)s1 ZINC000409717086 973191438 /nfs/dbraw/zinc/19/14/38/973191438.db2.gz NOAIJRSCWVDMGN-UHFFFAOYSA-N 1 2 424.526 3.980 20 5 HHBDLO O=C(N[C@@H]1CCC[C@@H]1OCc1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000427548675 975177036 /nfs/dbraw/zinc/17/70/36/975177036.db2.gz YEZXKVNZDXWOSM-NQIIRXRSSA-N 1 2 406.442 3.648 20 5 HHBDLO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000427687242 975238679 /nfs/dbraw/zinc/23/86/79/975238679.db2.gz HXOVAIUEJAFMJU-CRAIPNDOSA-N 1 2 423.876 3.558 20 5 HHBDLO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000427687242 975238682 /nfs/dbraw/zinc/23/86/82/975238682.db2.gz HXOVAIUEJAFMJU-CRAIPNDOSA-N 1 2 423.876 3.558 20 5 HHBDLO CCOc1ccc(C[NH+]2CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000429848023 977119599 /nfs/dbraw/zinc/11/95/99/977119599.db2.gz DPDRCHHFLNBIHZ-UHFFFAOYSA-N 1 2 411.502 3.616 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000430208942 977393402 /nfs/dbraw/zinc/39/34/02/977393402.db2.gz VXWSNZYRHNGJLF-QGZVFWFLSA-N 1 2 409.442 3.744 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000430208942 977393417 /nfs/dbraw/zinc/39/34/17/977393417.db2.gz VXWSNZYRHNGJLF-QGZVFWFLSA-N 1 2 409.442 3.744 20 5 HHBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000431794679 978518361 /nfs/dbraw/zinc/51/83/61/978518361.db2.gz MUJUJAXEUGTEDC-UHFFFAOYSA-N 1 2 413.478 3.577 20 5 HHBDLO O=C(C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccs1 ZINC000432323020 978761507 /nfs/dbraw/zinc/76/15/07/978761507.db2.gz OIGJVDCSLBIVCC-HNNXBMFYSA-N 1 2 410.455 3.720 20 5 HHBDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000433034298 979048026 /nfs/dbraw/zinc/04/80/26/979048026.db2.gz XYXCHUKKDKKUCT-NOVUIFNWSA-N 1 2 424.526 3.790 20 5 HHBDLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000433034298 979048028 /nfs/dbraw/zinc/04/80/28/979048028.db2.gz XYXCHUKKDKKUCT-NOVUIFNWSA-N 1 2 424.526 3.790 20 5 HHBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000433269052 979203932 /nfs/dbraw/zinc/20/39/32/979203932.db2.gz AOUAXHOOESYFQR-GOSISDBHSA-N 1 2 405.401 3.824 20 5 HHBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000433269052 979203941 /nfs/dbraw/zinc/20/39/41/979203941.db2.gz AOUAXHOOESYFQR-GOSISDBHSA-N 1 2 405.401 3.824 20 5 HHBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433957860 979715439 /nfs/dbraw/zinc/71/54/39/979715439.db2.gz DCXDPFHJVZVPLI-UHFFFAOYSA-N 1 2 400.504 3.626 20 5 HHBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434389555 980133584 /nfs/dbraw/zinc/13/35/84/980133584.db2.gz UAHAFHJSLLCTNJ-UHFFFAOYSA-N 1 2 417.897 3.870 20 5 HHBDLO O=C(COc1ccccc1[N+](=O)[O-])N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435334717 980793237 /nfs/dbraw/zinc/79/32/37/980793237.db2.gz HXTAMEZSXSGPGX-UHFFFAOYSA-N 1 2 414.849 3.553 20 5 HHBDLO Cc1cc(OCC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)ccc1[N+](=O)[O-] ZINC000435581312 980949553 /nfs/dbraw/zinc/94/95/53/980949553.db2.gz YBIRONAONXHFTG-CYBMUJFWSA-N 1 2 404.492 3.609 20 5 HHBDLO Cc1cc(OCC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)ccc1[N+](=O)[O-] ZINC000435581312 980949555 /nfs/dbraw/zinc/94/95/55/980949555.db2.gz YBIRONAONXHFTG-CYBMUJFWSA-N 1 2 404.492 3.609 20 5 HHBDLO Cc1ccc([C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@@H](C)S(C)(=O)=O)cc1 ZINC000435888464 981078593 /nfs/dbraw/zinc/07/85/93/981078593.db2.gz NHZDQRPPEMEFMQ-IIBYNOLFSA-N 1 2 420.531 3.954 20 5 HHBDLO C[C@H]1[C@H](C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)C1(F)F ZINC000460686287 982449609 /nfs/dbraw/zinc/44/96/09/982449609.db2.gz UKIHUEVIXWXZNJ-SCLBCKFNSA-N 1 2 421.469 3.869 20 5 HHBDLO C[C@H]1[C@@H](C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)C1(F)F ZINC000460686289 982449705 /nfs/dbraw/zinc/44/97/05/982449705.db2.gz UKIHUEVIXWXZNJ-UGSOOPFHSA-N 1 2 421.469 3.869 20 5 HHBDLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCCO1 ZINC000439468044 983422552 /nfs/dbraw/zinc/42/25/52/983422552.db2.gz JPUXICJANIQSGF-CJNGLKHVSA-N 1 2 404.492 3.546 20 5 HHBDLO CC[C@H]1C[N@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCCO1 ZINC000439468044 983422555 /nfs/dbraw/zinc/42/25/55/983422555.db2.gz JPUXICJANIQSGF-CJNGLKHVSA-N 1 2 404.492 3.546 20 5 HHBDLO CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000440032396 983619376 /nfs/dbraw/zinc/61/93/76/983619376.db2.gz VPGLSBFMDVITPX-JOCHJYFZSA-N 1 2 408.458 3.584 20 5 HHBDLO COc1ccc(CNC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000440835559 983930299 /nfs/dbraw/zinc/93/02/99/983930299.db2.gz XLMWLPLPNBFMEC-IBGZPJMESA-N 1 2 423.473 3.657 20 5 HHBDLO O=C(C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000441048114 984042492 /nfs/dbraw/zinc/04/24/92/984042492.db2.gz FFMJSOIHERYTLD-JOCHJYFZSA-N 1 2 422.872 3.912 20 5 HHBDLO C[C@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000442731003 985190776 /nfs/dbraw/zinc/19/07/76/985190776.db2.gz GUGOWHPDKFXKQO-HOTGVXAUSA-N 1 2 415.515 3.585 20 5 HHBDLO O=C(Nc1ccc(OC(F)(F)F)cc1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000442921705 985281182 /nfs/dbraw/zinc/28/11/82/985281182.db2.gz FOJQDUQFCQJFPR-UHFFFAOYSA-N 1 2 408.292 3.637 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H](Oc4ccccc4Cl)C3)o2)cc1 ZINC000443650454 985846897 /nfs/dbraw/zinc/84/68/97/985846897.db2.gz PNSDKBMFIRMDEZ-HNNXBMFYSA-N 1 2 400.822 3.952 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H](Oc4ccccc4Cl)C3)o2)cc1 ZINC000443650454 985846911 /nfs/dbraw/zinc/84/69/11/985846911.db2.gz PNSDKBMFIRMDEZ-HNNXBMFYSA-N 1 2 400.822 3.952 20 5 HHBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000463039157 985998611 /nfs/dbraw/zinc/99/86/11/985998611.db2.gz YHFBJWYEPNMOJM-LBPRGKRZSA-N 1 2 424.320 3.938 20 5 HHBDLO COc1cc(C[NH+]2CC(C)(C)OC(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000443855765 986058676 /nfs/dbraw/zinc/05/86/76/986058676.db2.gz RAOPAKPWVVMDMU-UHFFFAOYSA-N 1 2 406.401 3.934 20 5 HHBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000444046494 986244171 /nfs/dbraw/zinc/24/41/71/986244171.db2.gz YVWQIONIMVQQST-UHFFFAOYSA-N 1 2 421.544 3.561 20 5 HHBDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)c2c1 ZINC000444604005 986791162 /nfs/dbraw/zinc/79/11/62/986791162.db2.gz YUDIVOTYJGKEAN-UHFFFAOYSA-N 1 2 407.426 3.710 20 5 HHBDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)c2c1 ZINC000444604005 986791171 /nfs/dbraw/zinc/79/11/71/986791171.db2.gz YUDIVOTYJGKEAN-UHFFFAOYSA-N 1 2 407.426 3.710 20 5 HHBDLO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)cc1 ZINC000444659785 986843128 /nfs/dbraw/zinc/84/31/28/986843128.db2.gz FDBIUQUOAUKQCG-MRXNPFEDSA-N 1 2 422.489 3.813 20 5 HHBDLO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)cc1 ZINC000444659785 986843134 /nfs/dbraw/zinc/84/31/34/986843134.db2.gz FDBIUQUOAUKQCG-MRXNPFEDSA-N 1 2 422.489 3.813 20 5 HHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H](Oc4ccc(C(F)(F)F)cn4)C3)nc2c1 ZINC000444684704 986864779 /nfs/dbraw/zinc/86/47/79/986864779.db2.gz LFOZENCMTCQNCW-ZDUSSCGKSA-N 1 2 407.352 3.538 20 5 HHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H](Oc4ccc(C(F)(F)F)cn4)C3)nc2c1 ZINC000444684704 986864786 /nfs/dbraw/zinc/86/47/86/986864786.db2.gz LFOZENCMTCQNCW-ZDUSSCGKSA-N 1 2 407.352 3.538 20 5 HHBDLO COc1ccccc1[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[NH+](C)C ZINC000444825721 986980864 /nfs/dbraw/zinc/98/08/64/986980864.db2.gz CVOSOLOEHHMBKF-NRFANRHFSA-N 1 2 415.493 3.723 20 5 HHBDLO C[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[N@@H+]1CCc2sccc2C1 ZINC000444861309 987017754 /nfs/dbraw/zinc/01/77/54/987017754.db2.gz SLPJSBMAWRGZOY-HNNXBMFYSA-N 1 2 417.534 3.919 20 5 HHBDLO C[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[N@H+]1CCc2sccc2C1 ZINC000444861309 987017764 /nfs/dbraw/zinc/01/77/64/987017764.db2.gz SLPJSBMAWRGZOY-HNNXBMFYSA-N 1 2 417.534 3.919 20 5 HHBDLO COc1cc(CNC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c([N+](=O)[O-])cc1O ZINC000469557439 987227959 /nfs/dbraw/zinc/22/79/59/987227959.db2.gz XPXKORMTXHUFRJ-INIZCTEOSA-N 1 2 413.396 3.720 20 5 HHBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445178695 987261408 /nfs/dbraw/zinc/26/14/08/987261408.db2.gz DYUOAWWRLLKWJX-UHFFFAOYSA-N 1 2 412.424 3.936 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000469737086 987388061 /nfs/dbraw/zinc/38/80/61/987388061.db2.gz LPJWICFSVWBBDM-UHFFFAOYSA-N 1 2 411.380 3.871 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000469737086 987388068 /nfs/dbraw/zinc/38/80/68/987388068.db2.gz LPJWICFSVWBBDM-UHFFFAOYSA-N 1 2 411.380 3.871 20 5 HHBDLO COc1ccc(CCC(=O)N2CC[NH+](C/C(C)=C/c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000470184284 988100321 /nfs/dbraw/zinc/10/03/21/988100321.db2.gz REFAYOIIIWALJC-KNTRCKAVSA-N 1 2 423.513 3.784 20 5 HHBDLO Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000470263906 988211719 /nfs/dbraw/zinc/21/17/19/988211719.db2.gz MQGDUVJNSHRQAF-WIYYLYMNSA-N 1 2 406.442 3.739 20 5 HHBDLO Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000470263904 988211771 /nfs/dbraw/zinc/21/17/71/988211771.db2.gz MQGDUVJNSHRQAF-NQIIRXRSSA-N 1 2 406.442 3.739 20 5 HHBDLO C[NH+](C)[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 ZINC000470599972 988616711 /nfs/dbraw/zinc/61/67/11/988616711.db2.gz GYEDFKUCOHXYTJ-MRXNPFEDSA-N 1 2 421.379 3.523 20 5 HHBDLO COc1cc(C[NH2+][C@H](CCO)c2ccccc2Br)c([N+](=O)[O-])cc1F ZINC000464481311 988652412 /nfs/dbraw/zinc/65/24/12/988652412.db2.gz OMXRPCNPEZLQJX-OAHLLOKOSA-N 1 2 413.243 3.718 20 5 HHBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000464531680 988710648 /nfs/dbraw/zinc/71/06/48/988710648.db2.gz WBBQWLKEDOABOK-MRXNPFEDSA-N 1 2 415.515 3.539 20 5 HHBDLO COc1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c([N+](=O)[O-])cc1F ZINC000464685688 988892171 /nfs/dbraw/zinc/89/21/71/988892171.db2.gz WXPGCHFQBJEISG-QGZVFWFLSA-N 1 2 416.453 3.919 20 5 HHBDLO COc1cc(C[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c([N+](=O)[O-])cc1F ZINC000464685688 988892188 /nfs/dbraw/zinc/89/21/88/988892188.db2.gz WXPGCHFQBJEISG-QGZVFWFLSA-N 1 2 416.453 3.919 20 5 HHBDLO COc1cc(C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)c([N+](=O)[O-])cc1F ZINC000464687515 988894122 /nfs/dbraw/zinc/89/41/22/988894122.db2.gz FJJIQORHBDMLPS-INIZCTEOSA-N 1 2 413.243 3.670 20 5 HHBDLO COc1cc(C[N@@H+](C)[C@@H](CO)c2cccc(Br)c2)c([N+](=O)[O-])cc1F ZINC000464687515 988894141 /nfs/dbraw/zinc/89/41/41/988894141.db2.gz FJJIQORHBDMLPS-INIZCTEOSA-N 1 2 413.243 3.670 20 5 HHBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000464982585 989286206 /nfs/dbraw/zinc/28/62/06/989286206.db2.gz KNLPKKGPISZHMO-UHFFFAOYSA-N 1 2 407.474 3.850 20 5 HHBDLO CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000465291534 989646673 /nfs/dbraw/zinc/64/66/73/989646673.db2.gz NOGMUAYOOYGGSY-UHFFFAOYSA-N 1 2 422.441 3.917 20 5 HHBDLO Cc1cnccc1C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000471744363 989939759 /nfs/dbraw/zinc/93/97/59/989939759.db2.gz LSUXVNCFUJJUCN-UHFFFAOYSA-N 1 2 422.510 3.985 20 5 HHBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000465637468 990024060 /nfs/dbraw/zinc/02/40/60/990024060.db2.gz MQSCPAQGAPOGKC-QGZVFWFLSA-N 1 2 411.506 3.999 20 5 HHBDLO COC(=O)c1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1OC(C)C ZINC000466652911 991967572 /nfs/dbraw/zinc/96/75/72/991967572.db2.gz AXXRGBKJZMNAFM-UHFFFAOYSA-N 1 2 424.413 3.607 20 5 HHBDLO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000467516042 992793955 /nfs/dbraw/zinc/79/39/55/992793955.db2.gz DTPJPTWVFRVETE-RHSMWYFYSA-N 1 2 401.850 3.751 20 5 HHBDLO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000467516042 992793960 /nfs/dbraw/zinc/79/39/60/992793960.db2.gz DTPJPTWVFRVETE-RHSMWYFYSA-N 1 2 401.850 3.751 20 5 HHBDLO Cc1cc(C)n(-c2ccccc2CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000472199180 993235305 /nfs/dbraw/zinc/23/53/05/993235305.db2.gz NAZIOPKXSVNKEK-UHFFFAOYSA-N 1 2 416.441 3.513 20 5 HHBDLO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2=O)cc1 ZINC000480909807 993766190 /nfs/dbraw/zinc/76/61/90/993766190.db2.gz NEPWSBHAVIGYQH-HXUWFJFHSA-N 1 2 422.510 3.917 20 5 HHBDLO O=C(C[NH+]1CCC(Nc2nc3ccccc3cc2[N+](=O)[O-])CC1)Nc1ccccc1 ZINC000473521182 994376097 /nfs/dbraw/zinc/37/60/97/994376097.db2.gz IYDIVRQBMOKZBE-UHFFFAOYSA-N 1 2 405.458 3.658 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2C[C@H](CC)O[C@]3(CCOC3)C2)cc1OC ZINC000483148719 996003664 /nfs/dbraw/zinc/00/36/64/996003664.db2.gz UGTNGQHNZCNNSV-SGXKBVARSA-N 1 2 422.522 3.798 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@H](CC)O[C@]3(CCOC3)C2)cc1OC ZINC000483148719 996003667 /nfs/dbraw/zinc/00/36/67/996003667.db2.gz UGTNGQHNZCNNSV-SGXKBVARSA-N 1 2 422.522 3.798 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000475500513 996183920 /nfs/dbraw/zinc/18/39/20/996183920.db2.gz GAVQGQUNOKQULL-UHFFFAOYSA-N 1 2 420.469 3.728 20 5 HHBDLO C[C@@H]1C[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000475638023 996268405 /nfs/dbraw/zinc/26/84/05/996268405.db2.gz NOHQLBWRRWZZCN-QVKFZJNVSA-N 1 2 402.422 3.906 20 5 HHBDLO C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000475638023 996268413 /nfs/dbraw/zinc/26/84/13/996268413.db2.gz NOHQLBWRRWZZCN-QVKFZJNVSA-N 1 2 402.422 3.906 20 5 HHBDLO COC(=O)COc1ccc(C[N@@H+]2CCSC[C@@H]2c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000475700969 996309041 /nfs/dbraw/zinc/30/90/41/996309041.db2.gz OWSXSELGVFZIFN-LJQANCHMSA-N 1 2 416.499 3.745 20 5 HHBDLO COC(=O)COc1ccc(C[N@H+]2CCSC[C@@H]2c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000475700969 996309048 /nfs/dbraw/zinc/30/90/48/996309048.db2.gz OWSXSELGVFZIFN-LJQANCHMSA-N 1 2 416.499 3.745 20 5 HHBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC(Oc3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC000476185667 996664847 /nfs/dbraw/zinc/66/48/47/996664847.db2.gz BBQKEDGDHKOHOL-OAHLLOKOSA-N 1 2 412.490 3.616 20 5 HHBDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC(Oc3ccc([N+](=O)[O-])cc3)CC1)CC2 ZINC000476185667 996664850 /nfs/dbraw/zinc/66/48/50/996664850.db2.gz BBQKEDGDHKOHOL-OAHLLOKOSA-N 1 2 412.490 3.616 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484348410 996720204 /nfs/dbraw/zinc/72/02/04/996720204.db2.gz FBMOXROOSAFDJP-ABAIWWIYSA-N 1 2 403.401 3.841 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484348410 996720207 /nfs/dbraw/zinc/72/02/07/996720207.db2.gz FBMOXROOSAFDJP-ABAIWWIYSA-N 1 2 403.401 3.841 20 5 HHBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000476540327 997031708 /nfs/dbraw/zinc/03/17/08/997031708.db2.gz FBCODGICIRDCKB-UHFFFAOYSA-N 1 2 400.385 3.722 20 5 HHBDLO O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000485226190 997600971 /nfs/dbraw/zinc/60/09/71/997600971.db2.gz XBIAEVWQTTXWDG-UHFFFAOYSA-N 1 2 408.393 3.623 20 5 HHBDLO CCS[C@@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000485973047 998414114 /nfs/dbraw/zinc/41/41/14/998414114.db2.gz ASNBAGFIJNQMQF-ZDUSSCGKSA-N 1 2 407.496 3.561 20 5 HHBDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000485973047 998414118 /nfs/dbraw/zinc/41/41/18/998414118.db2.gz ASNBAGFIJNQMQF-ZDUSSCGKSA-N 1 2 407.496 3.561 20 5 HHBDLO COc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1SC ZINC000486130337 998578755 /nfs/dbraw/zinc/57/87/55/998578755.db2.gz AEHMBEOGVZHVJQ-UHFFFAOYSA-N 1 2 405.476 3.618 20 5 HHBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486435301 998766182 /nfs/dbraw/zinc/76/61/82/998766182.db2.gz YZYQDARLXRPUHB-SFHVURJKSA-N 1 2 418.453 3.578 20 5 HHBDLO Cc1cccc2c1N(C1CC1)CCN2C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000478682848 999086552 /nfs/dbraw/zinc/08/65/52/999086552.db2.gz AGEBTDQXIVJPCB-UHFFFAOYSA-N 1 2 403.442 3.718 20 5 HHBDLO C[C@@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000487637672 999237606 /nfs/dbraw/zinc/23/76/06/999237606.db2.gz SOGHOGABUNQJCR-HZPDHXFCSA-N 1 2 415.515 3.585 20 5 HHBDLO CCOc1ccc([C@H](C)[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000479500778 999446325 /nfs/dbraw/zinc/44/63/25/999446325.db2.gz JEDVYHQZWDJEAB-GTNSWQLSSA-N 1 2 422.279 3.633 20 5 HHBDLO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@@H](C)O1 ZINC000479726195 999557776 /nfs/dbraw/zinc/55/77/76/999557776.db2.gz GTVQEXBTIPWTPQ-CKEIUWERSA-N 1 2 403.504 3.523 20 5 HHBDLO Cc1c(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000479753791 999573150 /nfs/dbraw/zinc/57/31/50/999573150.db2.gz UBDCMYSGCYKFTP-IEBWSBKVSA-N 1 2 420.872 3.940 20 5 HHBDLO Cc1c(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000479753791 999573154 /nfs/dbraw/zinc/57/31/54/999573154.db2.gz UBDCMYSGCYKFTP-IEBWSBKVSA-N 1 2 420.872 3.940 20 5 HHBDLO Cc1c(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000479753788 999573168 /nfs/dbraw/zinc/57/31/68/999573168.db2.gz UBDCMYSGCYKFTP-HKUYNNGSSA-N 1 2 420.872 3.940 20 5 HHBDLO Cc1c(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000479753788 999573170 /nfs/dbraw/zinc/57/31/70/999573170.db2.gz UBDCMYSGCYKFTP-HKUYNNGSSA-N 1 2 420.872 3.940 20 5 HHBDLO Cc1c(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000480053303 999703317 /nfs/dbraw/zinc/70/33/17/999703317.db2.gz JTHHRUNUXHEAIG-RTWAWAEBSA-N 1 2 405.458 3.828 20 5 HHBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000489206422 999722279 /nfs/dbraw/zinc/72/22/79/999722279.db2.gz PEVDJWPQJDOILX-CTNGQTDRSA-N 1 2 415.877 3.775 20 5 HHBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000489206422 999722281 /nfs/dbraw/zinc/72/22/81/999722281.db2.gz PEVDJWPQJDOILX-CTNGQTDRSA-N 1 2 415.877 3.775 20 5 HHBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccnn1Cc1cccs1 ZINC000490187377 999907303 /nfs/dbraw/zinc/90/73/03/999907303.db2.gz MBIFCWBLGPHLRL-UHFFFAOYSA-N 1 2 411.487 3.504 20 5 HHBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccnn1Cc1cccs1 ZINC000490187377 999907305 /nfs/dbraw/zinc/90/73/05/999907305.db2.gz MBIFCWBLGPHLRL-UHFFFAOYSA-N 1 2 411.487 3.504 20 5 HHBDLO O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000490268817 999926059 /nfs/dbraw/zinc/92/60/59/999926059.db2.gz DLYMYYIIYURPQZ-UHFFFAOYSA-N 1 2 416.319 3.928 20 5 HHBDLO COc1cc(C[NH2+]Cc2nc3c(cccc3C)[nH]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493736088 1000188780 /nfs/dbraw/zinc/18/87/80/1000188780.db2.gz MWYPOKSLTWNNPP-UHFFFAOYSA-N 1 2 406.389 3.722 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000494246703 1000385978 /nfs/dbraw/zinc/38/59/78/1000385978.db2.gz DEKSVPOSWPFBCI-AZUAARDMSA-N 1 2 407.430 3.850 20 5 HHBDLO C[N@H+](Cc1ccc(Br)c(F)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000494269507 1000402194 /nfs/dbraw/zinc/40/21/94/1000402194.db2.gz YZVAAASMCNDWQZ-UHFFFAOYSA-N 1 2 411.227 3.995 20 5 HHBDLO C[N@@H+](Cc1ccc(Br)c(F)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000494269507 1000402199 /nfs/dbraw/zinc/40/21/99/1000402199.db2.gz YZVAAASMCNDWQZ-UHFFFAOYSA-N 1 2 411.227 3.995 20 5 HHBDLO COc1ccc(F)cc1C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000494481600 1000516006 /nfs/dbraw/zinc/51/60/06/1000516006.db2.gz HGJLCKRWFMWLMV-UHFFFAOYSA-N 1 2 418.343 3.982 20 5 HHBDLO CC(C)CCSc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000505580170 1000918879 /nfs/dbraw/zinc/91/88/79/1000918879.db2.gz WOHXYZJJDUAKHT-GOSISDBHSA-N 1 2 414.531 3.915 20 5 HHBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000505742741 1001002384 /nfs/dbraw/zinc/00/23/84/1001002384.db2.gz WIXWXXDNNYBTTB-KRWDZBQOSA-N 1 2 409.552 3.574 20 5 HHBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(COc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000496836145 1001235953 /nfs/dbraw/zinc/23/59/53/1001235953.db2.gz FACNITPRDLEDOG-UHFFFAOYSA-N 1 2 413.474 3.723 20 5 HHBDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000497359814 1001308672 /nfs/dbraw/zinc/30/86/72/1001308672.db2.gz ASOAUJSGWIKXQS-RRFJBIMHSA-N 1 2 424.929 3.592 20 5 HHBDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000497359814 1001308681 /nfs/dbraw/zinc/30/86/81/1001308681.db2.gz ASOAUJSGWIKXQS-RRFJBIMHSA-N 1 2 424.929 3.592 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)c(F)c1 ZINC000497484096 1001392385 /nfs/dbraw/zinc/39/23/85/1001392385.db2.gz ATKDYGHVSJBLGR-RBUKOAKNSA-N 1 2 400.385 3.530 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)c(F)c1 ZINC000497484096 1001392389 /nfs/dbraw/zinc/39/23/89/1001392389.db2.gz ATKDYGHVSJBLGR-RBUKOAKNSA-N 1 2 400.385 3.530 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497487359 1001394562 /nfs/dbraw/zinc/39/45/62/1001394562.db2.gz ALDQHQFWHVYMJG-HKUYNNGSSA-N 1 2 407.442 3.527 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497487359 1001394567 /nfs/dbraw/zinc/39/45/67/1001394567.db2.gz ALDQHQFWHVYMJG-HKUYNNGSSA-N 1 2 407.442 3.527 20 5 HHBDLO COC(=O)C1(c2ccccc2)CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000506626405 1001475697 /nfs/dbraw/zinc/47/56/97/1001475697.db2.gz YAXOSDRTHYAHQM-UHFFFAOYSA-N 1 2 420.412 3.903 20 5 HHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507266910 1001951036 /nfs/dbraw/zinc/95/10/36/1001951036.db2.gz ZEQAQFQPNHJGIG-BFUOFWGJSA-N 1 2 403.866 3.821 20 5 HHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507266910 1001951030 /nfs/dbraw/zinc/95/10/30/1001951030.db2.gz ZEQAQFQPNHJGIG-BFUOFWGJSA-N 1 2 403.866 3.821 20 5 HHBDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000507354589 1002018278 /nfs/dbraw/zinc/01/82/78/1002018278.db2.gz BGUQBHNZTXWMKR-MOPGFXCFSA-N 1 2 405.401 3.532 20 5 HHBDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000507354589 1002018288 /nfs/dbraw/zinc/01/82/88/1002018288.db2.gz BGUQBHNZTXWMKR-MOPGFXCFSA-N 1 2 405.401 3.532 20 5 HHBDLO Cc1c(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000499168315 1002554470 /nfs/dbraw/zinc/55/44/70/1002554470.db2.gz OWJGWSRVLZCLOB-OALUTQOASA-N 1 2 418.881 3.750 20 5 HHBDLO Cc1c(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000499168315 1002554476 /nfs/dbraw/zinc/55/44/76/1002554476.db2.gz OWJGWSRVLZCLOB-OALUTQOASA-N 1 2 418.881 3.750 20 5 HHBDLO Cc1ccc(C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]2CCCO2)c(Br)c1 ZINC000499905677 1003236831 /nfs/dbraw/zinc/23/68/31/1003236831.db2.gz DMHJAKKIODTGPB-QGZVFWFLSA-N 1 2 423.311 3.543 20 5 HHBDLO Cc1ccc(C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]2CCCO2)c(Br)c1 ZINC000499905677 1003236839 /nfs/dbraw/zinc/23/68/39/1003236839.db2.gz DMHJAKKIODTGPB-QGZVFWFLSA-N 1 2 423.311 3.543 20 5 HHBDLO CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000499939079 1003262764 /nfs/dbraw/zinc/26/27/64/1003262764.db2.gz NJICPDYWGNIGMS-HNNXBMFYSA-N 1 2 421.457 3.695 20 5 HHBDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000500038252 1003364521 /nfs/dbraw/zinc/36/45/21/1003364521.db2.gz VCQAONXGTIXYLO-LPHOPBHVSA-N 1 2 420.872 3.923 20 5 HHBDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000500038252 1003364532 /nfs/dbraw/zinc/36/45/32/1003364532.db2.gz VCQAONXGTIXYLO-LPHOPBHVSA-N 1 2 420.872 3.923 20 5 HHBDLO COc1cccc(C2(F)CC[NH+](CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])CC2)c1 ZINC000500163994 1003517638 /nfs/dbraw/zinc/51/76/38/1003517638.db2.gz DKPRQNXOLWVCIO-UHFFFAOYSA-N 1 2 417.437 3.511 20 5 HHBDLO COc1ccccc1O[C@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000513382173 1004935715 /nfs/dbraw/zinc/93/57/15/1004935715.db2.gz VXIIMENAIIOKQA-KRWDZBQOSA-N 1 2 410.430 3.697 20 5 HHBDLO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000513382173 1004935720 /nfs/dbraw/zinc/93/57/20/1004935720.db2.gz VXIIMENAIIOKQA-KRWDZBQOSA-N 1 2 410.430 3.697 20 5 HHBDLO C[C@H](c1cccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1)[NH+]1CCOCC1 ZINC000513739621 1005104404 /nfs/dbraw/zinc/10/44/04/1005104404.db2.gz KOEKZOLRTOMGJW-CYBMUJFWSA-N 1 2 421.400 3.842 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000502548824 1005113982 /nfs/dbraw/zinc/11/39/82/1005113982.db2.gz QJXZIROBQZPRPF-UHFFFAOYSA-N 1 2 412.273 3.643 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000502548824 1005113986 /nfs/dbraw/zinc/11/39/86/1005113986.db2.gz QJXZIROBQZPRPF-UHFFFAOYSA-N 1 2 412.273 3.643 20 5 HHBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513988351 1005215730 /nfs/dbraw/zinc/21/57/30/1005215730.db2.gz XHYVEEQJOCABHP-UGSOOPFHSA-N 1 2 405.907 3.902 20 5 HHBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000511596823 1005239405 /nfs/dbraw/zinc/23/94/05/1005239405.db2.gz IHLVVYZWOLBYBZ-ZDUSSCGKSA-N 1 2 402.344 3.624 20 5 HHBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000511596823 1005239410 /nfs/dbraw/zinc/23/94/10/1005239410.db2.gz IHLVVYZWOLBYBZ-ZDUSSCGKSA-N 1 2 402.344 3.624 20 5 HHBDLO COc1ccc(C[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC2CC2)c(OC)c1 ZINC000503230136 1005372788 /nfs/dbraw/zinc/37/27/88/1005372788.db2.gz IBZJZXGHSRJWCA-UHFFFAOYSA-N 1 2 413.474 3.771 20 5 HHBDLO COc1ccc(C[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC2CC2)c(OC)c1 ZINC000503230136 1005372790 /nfs/dbraw/zinc/37/27/90/1005372790.db2.gz IBZJZXGHSRJWCA-UHFFFAOYSA-N 1 2 413.474 3.771 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000503493511 1005436469 /nfs/dbraw/zinc/43/64/69/1005436469.db2.gz NCBZJDHKUNOBST-HNNXBMFYSA-N 1 2 412.833 3.727 20 5 HHBDLO Cn1ccnc1Sc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000515215986 1006341251 /nfs/dbraw/zinc/34/12/51/1006341251.db2.gz BTAMTPDCHCIYKH-UHFFFAOYSA-N 1 2 420.454 3.918 20 5 HHBDLO C[C@H]1CN(c2ccccc2NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000515610965 1006559530 /nfs/dbraw/zinc/55/95/30/1006559530.db2.gz UNPWRTGBBULYRW-HOTGVXAUSA-N 1 2 421.457 3.646 20 5 HHBDLO COc1ccccc1N1CC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1=O ZINC000532048471 1006600947 /nfs/dbraw/zinc/60/09/47/1006600947.db2.gz IZQDSFQJUFQYBP-QGZVFWFLSA-N 1 2 424.482 3.622 20 5 HHBDLO COc1ccccc1N1CC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1=O ZINC000532048470 1006601079 /nfs/dbraw/zinc/60/10/79/1006601079.db2.gz IZQDSFQJUFQYBP-KRWDZBQOSA-N 1 2 424.482 3.622 20 5 HHBDLO COc1ccc(C[C@H](C)CN(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000534938714 1006978287 /nfs/dbraw/zinc/97/82/87/1006978287.db2.gz LKPICKVMZATCJA-INIZCTEOSA-N 1 2 408.458 3.740 20 5 HHBDLO CCC(=O)N1CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000535083120 1007098576 /nfs/dbraw/zinc/09/85/76/1007098576.db2.gz PYSREUUOIHIHAG-UHFFFAOYSA-N 1 2 401.438 3.971 20 5 HHBDLO CCC(=O)N1CCC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000535083120 1007098586 /nfs/dbraw/zinc/09/85/86/1007098586.db2.gz PYSREUUOIHIHAG-UHFFFAOYSA-N 1 2 401.438 3.971 20 5 HHBDLO Cc1ccc(C(=O)C2CC[NH+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)c(C)c1 ZINC000532764929 1007169310 /nfs/dbraw/zinc/16/93/10/1007169310.db2.gz RFBXHEQMXSFBQR-JOCHJYFZSA-N 1 2 421.497 3.912 20 5 HHBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(Cc3ncccc3O)CC2)s1 ZINC000516684347 1007231136 /nfs/dbraw/zinc/23/11/36/1007231136.db2.gz CCLFXGRTNVOXKO-UHFFFAOYSA-N 1 2 410.499 3.742 20 5 HHBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H](C)O1 ZINC000535352101 1007408362 /nfs/dbraw/zinc/40/83/62/1007408362.db2.gz ZUAHTFSGQIQRGW-HZPDHXFCSA-N 1 2 422.485 3.867 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539133762 1007428663 /nfs/dbraw/zinc/42/86/63/1007428663.db2.gz SUGPNEZWGVJMAB-PXNSSMCTSA-N 1 2 405.857 3.882 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539133762 1007428667 /nfs/dbraw/zinc/42/86/67/1007428667.db2.gz SUGPNEZWGVJMAB-PXNSSMCTSA-N 1 2 405.857 3.882 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539216984 1007507583 /nfs/dbraw/zinc/50/75/83/1007507583.db2.gz ZAFRETRSSRNGCE-ICSRJNTNSA-N 1 2 421.856 3.718 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539216984 1007507593 /nfs/dbraw/zinc/50/75/93/1007507593.db2.gz ZAFRETRSSRNGCE-ICSRJNTNSA-N 1 2 421.856 3.718 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539218776 1007509452 /nfs/dbraw/zinc/50/94/52/1007509452.db2.gz XUDZHZZVICMCSH-VQIMIIECSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539218776 1007509456 /nfs/dbraw/zinc/50/94/56/1007509456.db2.gz XUDZHZZVICMCSH-VQIMIIECSA-N 1 2 421.856 3.961 20 5 HHBDLO CC(C)C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1F ZINC000533254773 1007573470 /nfs/dbraw/zinc/57/34/70/1007573470.db2.gz XHCBXRWVYAMTEI-UHFFFAOYSA-N 1 2 403.410 3.559 20 5 HHBDLO CC(C)C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1F ZINC000533254773 1007573478 /nfs/dbraw/zinc/57/34/78/1007573478.db2.gz XHCBXRWVYAMTEI-UHFFFAOYSA-N 1 2 403.410 3.559 20 5 HHBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000539372382 1007677025 /nfs/dbraw/zinc/67/70/25/1007677025.db2.gz DKPVEOWMVQKMIU-CQSZACIVSA-N 1 2 405.857 3.835 20 5 HHBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000533426783 1007735319 /nfs/dbraw/zinc/73/53/19/1007735319.db2.gz HFNVXVBRKBLIJA-RDJZCZTQSA-N 1 2 413.449 3.964 20 5 HHBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000533426783 1007735337 /nfs/dbraw/zinc/73/53/37/1007735337.db2.gz HFNVXVBRKBLIJA-RDJZCZTQSA-N 1 2 413.449 3.964 20 5 HHBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000539602101 1007921612 /nfs/dbraw/zinc/92/16/12/1007921612.db2.gz ZBFGANYYBVPKAK-SFHVURJKSA-N 1 2 409.552 3.574 20 5 HHBDLO COc1ccc(CC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000533682242 1008003008 /nfs/dbraw/zinc/00/30/08/1008003008.db2.gz QLQRDUSBHJJGEL-OXQOHEQNSA-N 1 2 421.856 3.500 20 5 HHBDLO COc1ccc(CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000533682242 1008003058 /nfs/dbraw/zinc/00/30/58/1008003058.db2.gz QLQRDUSBHJJGEL-OXQOHEQNSA-N 1 2 421.856 3.500 20 5 HHBDLO COCc1cccc2sc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)nc21 ZINC000517851630 1008011937 /nfs/dbraw/zinc/01/19/37/1008011937.db2.gz YTBQKRCIISCUSY-UHFFFAOYSA-N 1 2 409.427 3.789 20 5 HHBDLO C[C@H](Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000533788721 1008111761 /nfs/dbraw/zinc/11/17/61/1008111761.db2.gz KEDXVTQLHYIWNB-HNNXBMFYSA-N 1 2 403.442 3.949 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540226168 1008343536 /nfs/dbraw/zinc/34/35/36/1008343536.db2.gz SOHHGSXTFZJXQV-PBHICJAKSA-N 1 2 423.876 3.799 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540226168 1008343537 /nfs/dbraw/zinc/34/35/37/1008343537.db2.gz SOHHGSXTFZJXQV-PBHICJAKSA-N 1 2 423.876 3.799 20 5 HHBDLO CCCc1n[nH]c(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000518857558 1008448534 /nfs/dbraw/zinc/44/85/34/1008448534.db2.gz ILFHDQDRYGDTTL-HNNXBMFYSA-N 1 2 423.876 3.630 20 5 HHBDLO Cc1cc(Br)cn2c(CN3CCc4ccc([N+](=O)[O-])cc4C3)c[nH+]c12 ZINC000543393792 1008983631 /nfs/dbraw/zinc/98/36/31/1008983631.db2.gz FNEVIBBOLDIWEB-UHFFFAOYSA-N 1 2 401.264 3.872 20 5 HHBDLO O=C(CC[N@@H+]1CCOc2ccc(Br)cc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000549475081 1009070873 /nfs/dbraw/zinc/07/08/73/1009070873.db2.gz AGUSYDTYFXHMLM-UHFFFAOYSA-N 1 2 420.263 3.581 20 5 HHBDLO O=C(CC[N@H+]1CCOc2ccc(Br)cc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000549475081 1009070884 /nfs/dbraw/zinc/07/08/84/1009070884.db2.gz AGUSYDTYFXHMLM-UHFFFAOYSA-N 1 2 420.263 3.581 20 5 HHBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CCOCC2(CCC2)C1 ZINC000546103670 1009127097 /nfs/dbraw/zinc/12/70/97/1009127097.db2.gz GOARCXIYPZMOEN-CQSZACIVSA-N 1 2 416.503 3.548 20 5 HHBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CCOCC2(CCC2)C1 ZINC000546103670 1009127100 /nfs/dbraw/zinc/12/71/00/1009127100.db2.gz GOARCXIYPZMOEN-CQSZACIVSA-N 1 2 416.503 3.548 20 5 HHBDLO COc1ccccc1C1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC1 ZINC000546135129 1009161366 /nfs/dbraw/zinc/16/13/66/1009161366.db2.gz FDICWESUKIDGSG-UHFFFAOYSA-N 1 2 406.442 3.641 20 5 HHBDLO O=[N+]([O-])c1ccccc1NCCc1noc(/C=C/c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000546376841 1009385026 /nfs/dbraw/zinc/38/50/26/1009385026.db2.gz PERKLDSJXMMEDQ-JXMROGBWSA-N 1 2 402.414 3.989 20 5 HHBDLO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000549919450 1009537396 /nfs/dbraw/zinc/53/73/96/1009537396.db2.gz JHJHAJFYMWVJSG-BEWDEPOQSA-N 1 2 403.523 3.984 20 5 HHBDLO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000549919450 1009537404 /nfs/dbraw/zinc/53/74/04/1009537404.db2.gz JHJHAJFYMWVJSG-BEWDEPOQSA-N 1 2 403.523 3.984 20 5 HHBDLO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000549919457 1009538335 /nfs/dbraw/zinc/53/83/35/1009538335.db2.gz JHJHAJFYMWVJSG-RTOVEXDRSA-N 1 2 403.523 3.984 20 5 HHBDLO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000549919457 1009538340 /nfs/dbraw/zinc/53/83/40/1009538340.db2.gz JHJHAJFYMWVJSG-RTOVEXDRSA-N 1 2 403.523 3.984 20 5 HHBDLO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000544490007 1010113924 /nfs/dbraw/zinc/11/39/24/1010113924.db2.gz ZVEJXAWUQYVWMW-HOTGVXAUSA-N 1 2 421.563 3.716 20 5 HHBDLO CCOC(=O)c1sc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)nc1C ZINC000544511889 1010135285 /nfs/dbraw/zinc/13/52/85/1010135285.db2.gz DTGDNMDNQOMWLC-QWHCGFSZSA-N 1 2 420.491 3.523 20 5 HHBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000521448592 1010379426 /nfs/dbraw/zinc/37/94/26/1010379426.db2.gz NAJLNAYTTOFNGS-INIZCTEOSA-N 1 2 410.449 3.594 20 5 HHBDLO COc1ccc(C[NH2+]C(C)(C)c2nc(C)no2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000551226743 1010449795 /nfs/dbraw/zinc/44/97/95/1010449795.db2.gz AZPRMHSWKBRYLN-UHFFFAOYSA-N 1 2 412.446 3.899 20 5 HHBDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000522536650 1011068437 /nfs/dbraw/zinc/06/84/37/1011068437.db2.gz ZWSCGSYSNZWSJC-UHFFFAOYSA-N 1 2 405.882 3.583 20 5 HHBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)c1 ZINC000536233878 1011384070 /nfs/dbraw/zinc/38/40/70/1011384070.db2.gz OWGDMIOTMUEFOT-QFIPXVFZSA-N 1 2 417.469 3.990 20 5 HHBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)c1 ZINC000536233872 1011384139 /nfs/dbraw/zinc/38/41/39/1011384139.db2.gz OWGDMIOTMUEFOT-JOCHJYFZSA-N 1 2 417.469 3.990 20 5 HHBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000541284003 1011977475 /nfs/dbraw/zinc/97/74/75/1011977475.db2.gz HEJNTBCDECDFGD-UHFFFAOYSA-N 1 2 421.906 3.811 20 5 HHBDLO CC(C)[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)Cc1cccnc1 ZINC000536789157 1012005516 /nfs/dbraw/zinc/00/55/16/1012005516.db2.gz GSHCBMFFTASZLB-UHFFFAOYSA-N 1 2 411.487 3.962 20 5 HHBDLO CC(C)[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)Cc1cccnc1 ZINC000536789157 1012005531 /nfs/dbraw/zinc/00/55/31/1012005531.db2.gz GSHCBMFFTASZLB-UHFFFAOYSA-N 1 2 411.487 3.962 20 5 HHBDLO COc1ccc(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)cc1[N+](=O)[O-] ZINC000541317033 1012024953 /nfs/dbraw/zinc/02/49/53/1012024953.db2.gz VGVJOACHTMYCGU-UHFFFAOYSA-N 1 2 408.245 3.781 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000541316514 1012025180 /nfs/dbraw/zinc/02/51/80/1012025180.db2.gz RLKZLEBBJCONBD-HXUWFJFHSA-N 1 2 423.473 3.657 20 5 HHBDLO Cc1ccc(NC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1[N+](=O)[O-] ZINC000523586582 1012138677 /nfs/dbraw/zinc/13/86/77/1012138677.db2.gz VHDFDPGFKLAQSV-HNNXBMFYSA-N 1 2 404.417 3.968 20 5 HHBDLO Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1[N+](=O)[O-] ZINC000523586582 1012138684 /nfs/dbraw/zinc/13/86/84/1012138684.db2.gz VHDFDPGFKLAQSV-HNNXBMFYSA-N 1 2 404.417 3.968 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536917334 1012194180 /nfs/dbraw/zinc/19/41/80/1012194180.db2.gz VMKQXMYIFKRHEL-JXFKEZNVSA-N 1 2 421.856 3.718 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536917334 1012194197 /nfs/dbraw/zinc/19/41/97/1012194197.db2.gz VMKQXMYIFKRHEL-JXFKEZNVSA-N 1 2 421.856 3.718 20 5 HHBDLO COC[C@@H]([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000537174920 1012581435 /nfs/dbraw/zinc/58/14/35/1012581435.db2.gz IYYOMJONJSBOKE-CQSZACIVSA-N 1 2 400.353 3.821 20 5 HHBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nnnn2-c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000537176283 1012583908 /nfs/dbraw/zinc/58/39/08/1012583908.db2.gz ZJXDDSVCDNUQJQ-GFCCVEGCSA-N 1 2 406.368 3.749 20 5 HHBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2cccc3nccn32)CC1 ZINC000537206907 1012628346 /nfs/dbraw/zinc/62/83/46/1012628346.db2.gz FAJLIWZHKLXEOK-UHFFFAOYSA-N 1 2 405.380 3.584 20 5 HHBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000537206907 1012628357 /nfs/dbraw/zinc/62/83/57/1012628357.db2.gz FAJLIWZHKLXEOK-UHFFFAOYSA-N 1 2 405.380 3.584 20 5 HHBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000541834309 1012721446 /nfs/dbraw/zinc/72/14/46/1012721446.db2.gz GIFUKOPRJFEZAQ-CQSZACIVSA-N 1 2 402.426 3.653 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542041225 1012943561 /nfs/dbraw/zinc/94/35/61/1012943561.db2.gz GRLLNMXGZYIRLJ-QFBILLFUSA-N 1 2 422.407 3.647 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542041225 1012943569 /nfs/dbraw/zinc/94/35/69/1012943569.db2.gz GRLLNMXGZYIRLJ-QFBILLFUSA-N 1 2 422.407 3.647 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542093642 1013021688 /nfs/dbraw/zinc/02/16/88/1013021688.db2.gz NWGQYLLSEAVTKE-WIYYLYMNSA-N 1 2 421.419 3.896 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542093642 1013021705 /nfs/dbraw/zinc/02/17/05/1013021705.db2.gz NWGQYLLSEAVTKE-WIYYLYMNSA-N 1 2 421.419 3.896 20 5 HHBDLO COc1cc(CNc2ccc(N(C)C)[nH+]c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000533309180 1071849258 /nfs/dbraw/zinc/84/92/58/1071849258.db2.gz LIYPHJCXPPLEHO-UHFFFAOYSA-N 1 2 400.357 3.618 20 5 HHBDLO CN(C)S(=O)(=O)c1ccc(Nc2ccc([NH+]3CCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000912731563 1072273262 /nfs/dbraw/zinc/27/32/62/1072273262.db2.gz JFJCTMXUEQWHIL-UHFFFAOYSA-N 1 2 404.492 3.579 20 5 HHBDLO CCCCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1(C)C ZINC001126843153 1072720875 /nfs/dbraw/zinc/72/08/75/1072720875.db2.gz HIFUXJURDZEYHU-RBUKOAKNSA-N 1 2 400.479 3.836 20 5 HHBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000555075395 1073137370 /nfs/dbraw/zinc/13/73/70/1073137370.db2.gz ZNNFIZUHNPYYGU-HXUWFJFHSA-N 1 2 403.385 3.603 20 5 HHBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000555075395 1073137373 /nfs/dbraw/zinc/13/73/73/1073137373.db2.gz ZNNFIZUHNPYYGU-HXUWFJFHSA-N 1 2 403.385 3.603 20 5 HHBDLO C[C@@H](CF)NC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000588900360 1073318336 /nfs/dbraw/zinc/31/83/36/1073318336.db2.gz JTNNLFGYLMEKTD-AWEZNQCLSA-N 1 2 406.483 3.509 20 5 HHBDLO CCc1cc(N2CCC[N@H+](Cc3cscn3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301142200 970768189 /nfs/dbraw/zinc/76/81/89/970768189.db2.gz GRDKTFRACUHHCD-UHFFFAOYSA-N 1 2 424.530 3.783 20 5 HHBDLO CCc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301142200 970768192 /nfs/dbraw/zinc/76/81/92/970768192.db2.gz GRDKTFRACUHHCD-UHFFFAOYSA-N 1 2 424.530 3.783 20 5 HHBDLO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000301184242 970793695 /nfs/dbraw/zinc/79/36/95/970793695.db2.gz JAESFAZQXDQQKR-UHFFFAOYSA-N 1 2 419.791 3.539 20 5 HHBDLO CN(C)c1ccc([NH+]2CCC(Nc3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CC2)cc1 ZINC000301471034 970946336 /nfs/dbraw/zinc/94/63/36/970946336.db2.gz SVTLLJUWLLQQHV-UHFFFAOYSA-N 1 2 423.517 3.634 20 5 HHBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000302187736 971202312 /nfs/dbraw/zinc/20/23/12/971202312.db2.gz QAWIJTSQGKCQPH-RBUKOAKNSA-N 1 2 419.865 3.519 20 5 HHBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000302187736 971202317 /nfs/dbraw/zinc/20/23/17/971202317.db2.gz QAWIJTSQGKCQPH-RBUKOAKNSA-N 1 2 419.865 3.519 20 5 HHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000302941628 971408196 /nfs/dbraw/zinc/40/81/96/971408196.db2.gz HYOSNXDGBDVENJ-OAHLLOKOSA-N 1 2 402.882 3.788 20 5 HHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCN(c2ccccc2)CC1 ZINC000302941628 971408205 /nfs/dbraw/zinc/40/82/05/971408205.db2.gz HYOSNXDGBDVENJ-OAHLLOKOSA-N 1 2 402.882 3.788 20 5 HHBDLO Cn1cnc([N+](=O)[O-])c1N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000524265617 1013078165 /nfs/dbraw/zinc/07/81/65/1013078165.db2.gz YMEZAMPWSVVKIR-IBGZPJMESA-N 1 2 411.893 3.893 20 5 HHBDLO O=C(NCc1ccnc(OC2CCCCC2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000303092204 971499541 /nfs/dbraw/zinc/49/95/41/971499541.db2.gz IJAXLNRLYWOZTH-UHFFFAOYSA-N 1 2 421.457 3.817 20 5 HHBDLO COc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)ccc1[N+](=O)[O-] ZINC000303476233 971776979 /nfs/dbraw/zinc/77/69/79/971776979.db2.gz JNRGNTIVMVRMBG-INIZCTEOSA-N 1 2 421.856 3.790 20 5 HHBDLO COc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)ccc1[N+](=O)[O-] ZINC000303476233 971776984 /nfs/dbraw/zinc/77/69/84/971776984.db2.gz JNRGNTIVMVRMBG-INIZCTEOSA-N 1 2 421.856 3.790 20 5 HHBDLO CCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000303944924 972526706 /nfs/dbraw/zinc/52/67/06/972526706.db2.gz ZCXZURZDJPTBAA-MOPGFXCFSA-N 1 2 400.479 3.836 20 5 HHBDLO COc1cc(C[N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])ccc1OC(F)F ZINC000007977080 961389667 /nfs/dbraw/zinc/38/96/67/961389667.db2.gz SUOWBQHMYZGTMY-UHFFFAOYSA-N 1 2 409.389 3.584 20 5 HHBDLO COc1cc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])ccc1OC(F)F ZINC000007977080 961389687 /nfs/dbraw/zinc/38/96/87/961389687.db2.gz SUOWBQHMYZGTMY-UHFFFAOYSA-N 1 2 409.389 3.584 20 5 HHBDLO C[N@H+](CCOc1ccccc1)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000012809356 962329152 /nfs/dbraw/zinc/32/91/52/962329152.db2.gz SZHSDNRGEAMKHK-UHFFFAOYSA-N 1 2 412.471 3.668 20 5 HHBDLO C[N@@H+](CCOc1ccccc1)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000012809356 962329172 /nfs/dbraw/zinc/32/91/72/962329172.db2.gz SZHSDNRGEAMKHK-UHFFFAOYSA-N 1 2 412.471 3.668 20 5 HHBDLO O=[N+]([O-])c1ccc2c(cnn2C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000021321740 963447671 /nfs/dbraw/zinc/44/76/71/963447671.db2.gz DVQIHSDUKXUJHE-UHFFFAOYSA-N 1 2 405.380 3.743 20 5 HHBDLO CCOc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccccn2)c([N+](=O)[O-])c1 ZINC000025416795 964266607 /nfs/dbraw/zinc/26/66/07/964266607.db2.gz LIRBDBNRWKRCOH-JOCHJYFZSA-N 1 2 406.442 3.706 20 5 HHBDLO CCOc1cc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OC(F)F ZINC000026454273 964570183 /nfs/dbraw/zinc/57/01/83/964570183.db2.gz VCMQGVQDUCELHM-UHFFFAOYSA-N 1 2 423.416 3.974 20 5 HHBDLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OC(F)F ZINC000026454273 964570208 /nfs/dbraw/zinc/57/02/08/964570208.db2.gz VCMQGVQDUCELHM-UHFFFAOYSA-N 1 2 423.416 3.974 20 5 HHBDLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC2)c(C)c1 ZINC000026645602 964632931 /nfs/dbraw/zinc/63/29/31/964632931.db2.gz QKKZTOWLDHPUOU-UHFFFAOYSA-N 1 2 421.497 3.696 20 5 HHBDLO CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000054194409 965415913 /nfs/dbraw/zinc/41/59/13/965415913.db2.gz PJZZWIFGKOCUBP-AWEZNQCLSA-N 1 2 407.430 3.561 20 5 HHBDLO CC(C)[C@H](CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000029839971 965518953 /nfs/dbraw/zinc/51/89/53/965518953.db2.gz PYFXCEUBMIZIAA-QFIPXVFZSA-N 1 2 410.518 3.510 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538026003 1013597643 /nfs/dbraw/zinc/59/76/43/1013597643.db2.gz RVVCJMKIWZECGL-AZUAARDMSA-N 1 2 421.856 3.718 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538026003 1013597650 /nfs/dbraw/zinc/59/76/50/1013597650.db2.gz RVVCJMKIWZECGL-AZUAARDMSA-N 1 2 421.856 3.718 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538029024 1013600833 /nfs/dbraw/zinc/60/08/33/1013600833.db2.gz NOJRBCPXIDLSAC-LPHOPBHVSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538029024 1013600837 /nfs/dbraw/zinc/60/08/37/1013600837.db2.gz NOJRBCPXIDLSAC-LPHOPBHVSA-N 1 2 421.856 3.961 20 5 HHBDLO COc1ccc(OC)c(CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C2CC2)c1 ZINC000032163649 966198407 /nfs/dbraw/zinc/19/84/07/966198407.db2.gz NBSNBIMUFOMRKR-UHFFFAOYSA-N 1 2 422.441 3.603 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000032164212 966198621 /nfs/dbraw/zinc/19/86/21/966198621.db2.gz QPJUMKQCIHWEAJ-UHFFFAOYSA-N 1 2 405.389 3.599 20 5 HHBDLO O=C(Nc1ccc(Br)cc1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000068794562 968791623 /nfs/dbraw/zinc/79/16/23/968791623.db2.gz QQOMTEUNPYNLEU-UHFFFAOYSA-N 1 2 405.183 3.934 20 5 HHBDLO O=C(NCCc1ccc(OC(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000071929532 968893928 /nfs/dbraw/zinc/89/39/28/968893928.db2.gz TUZWTAHFAPWDDB-UHFFFAOYSA-N 1 2 420.347 3.652 20 5 HHBDLO O=C(NCCc1ccccc1Br)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000109483970 969523651 /nfs/dbraw/zinc/52/36/51/969523651.db2.gz UMOFHSTUXNNYTR-UHFFFAOYSA-N 1 2 415.247 3.516 20 5 HHBDLO COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000116165047 969877356 /nfs/dbraw/zinc/87/73/56/969877356.db2.gz LYFZLMIOXKEJGA-SFHVURJKSA-N 1 2 406.442 3.636 20 5 HHBDLO CCCCCCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000116287122 969884341 /nfs/dbraw/zinc/88/43/41/969884341.db2.gz DLHBTXNBRUMUAL-HNNXBMFYSA-N 1 2 424.929 3.595 20 5 HHBDLO CCCCCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000116287122 969884348 /nfs/dbraw/zinc/88/43/48/969884348.db2.gz DLHBTXNBRUMUAL-HNNXBMFYSA-N 1 2 424.929 3.595 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000216984394 970082400 /nfs/dbraw/zinc/08/24/00/970082400.db2.gz VNGSKPPLXDCRGD-UHFFFAOYSA-N 1 2 423.517 3.900 20 5 HHBDLO COc1cc(C[NH2+]Cc2cc(C(C)C)no2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237294388 970257439 /nfs/dbraw/zinc/25/74/39/970257439.db2.gz ZGAPKAKLVLUWQW-UHFFFAOYSA-N 1 2 403.357 3.946 20 5 HHBDLO COc1ccc([C@@H](CNCc2cc(OC)c(O)cc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000237495451 970302091 /nfs/dbraw/zinc/30/20/91/970302091.db2.gz OQRMAFAIUFOGEM-HXUWFJFHSA-N 1 2 415.490 3.634 20 5 HHBDLO O=C1[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1c1ccccc1F ZINC000237854391 970381663 /nfs/dbraw/zinc/38/16/63/970381663.db2.gz CTMZYHHMNDHHMQ-QGZVFWFLSA-N 1 2 412.446 3.753 20 5 HHBDLO C[C@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc([N+](=O)[O-])cc1F ZINC000410272816 973789822 /nfs/dbraw/zinc/78/98/22/973789822.db2.gz NRNKLXJMYXVPQA-GJZGRUSLSA-N 1 2 400.454 3.776 20 5 HHBDLO C[N@@H+]1CCc2nc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])sc2C1 ZINC000429053533 976340286 /nfs/dbraw/zinc/34/02/86/976340286.db2.gz LTSYXLMELOUSSH-UHFFFAOYSA-N 1 2 424.482 3.871 20 5 HHBDLO C[N@H+]1CCc2nc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])sc2C1 ZINC000429053533 976340295 /nfs/dbraw/zinc/34/02/95/976340295.db2.gz LTSYXLMELOUSSH-UHFFFAOYSA-N 1 2 424.482 3.871 20 5 HHBDLO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000429171886 976461491 /nfs/dbraw/zinc/46/14/91/976461491.db2.gz PDYIYUUIHJZYOC-UHFFFAOYSA-N 1 2 408.911 3.718 20 5 HHBDLO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000429171886 976461506 /nfs/dbraw/zinc/46/15/06/976461506.db2.gz PDYIYUUIHJZYOC-UHFFFAOYSA-N 1 2 408.911 3.718 20 5 HHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429866506 977140026 /nfs/dbraw/zinc/14/00/26/977140026.db2.gz JPNLEIWCJQKNRY-UHFFFAOYSA-N 1 2 405.183 3.934 20 5 HHBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429870034 977144077 /nfs/dbraw/zinc/14/40/77/977144077.db2.gz RORRMEXXPRRSRV-UHFFFAOYSA-N 1 2 419.210 3.612 20 5 HHBDLO COC(=O)C[C@@](C)([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccncc1 ZINC000429986568 977249703 /nfs/dbraw/zinc/24/97/03/977249703.db2.gz SXOCNGZTFLMZRL-HXUWFJFHSA-N 1 2 412.471 3.681 20 5 HHBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])c1C ZINC000431030476 977965541 /nfs/dbraw/zinc/96/55/41/977965541.db2.gz NNQRKSAZLOAACK-UHFFFAOYSA-N 1 2 408.252 3.650 20 5 HHBDLO C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@](=O)C1 ZINC000433030962 979047517 /nfs/dbraw/zinc/04/75/17/979047517.db2.gz LZNPGWYRQNNYIY-ZQHDKMAOSA-N 1 2 424.526 3.648 20 5 HHBDLO C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@](=O)C1 ZINC000433030962 979047519 /nfs/dbraw/zinc/04/75/19/979047519.db2.gz LZNPGWYRQNNYIY-ZQHDKMAOSA-N 1 2 424.526 3.648 20 5 HHBDLO CCn1nccc1C1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000434805407 980410148 /nfs/dbraw/zinc/41/01/48/980410148.db2.gz WCVXDONVERPOHW-ZDUSSCGKSA-N 1 2 405.886 3.671 20 5 HHBDLO Cc1c(NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435328598 980787512 /nfs/dbraw/zinc/78/75/12/980787512.db2.gz LYIRBUCYDFLRDK-AWEZNQCLSA-N 1 2 421.251 3.746 20 5 HHBDLO COc1ccc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000436014096 981155337 /nfs/dbraw/zinc/15/53/37/981155337.db2.gz IKANYADKDOHFBX-UHFFFAOYSA-N 1 2 414.849 3.796 20 5 HHBDLO COc1cc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000436019833 981160042 /nfs/dbraw/zinc/16/00/42/981160042.db2.gz IWGFIGJXFDCAEW-UHFFFAOYSA-N 1 2 414.849 3.796 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436062560 981184280 /nfs/dbraw/zinc/18/42/80/981184280.db2.gz BXNQQZVLIPUDTH-UHFFFAOYSA-N 1 2 412.493 3.997 20 5 HHBDLO COc1cc(OCC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)ccc1[N+](=O)[O-] ZINC000436171491 981233000 /nfs/dbraw/zinc/23/30/00/981233000.db2.gz CZOIABGNMNTBBI-UHFFFAOYSA-N 1 2 422.441 3.821 20 5 HHBDLO COC(=O)c1cc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc([N+](=O)[O-])c1 ZINC000436171931 981233071 /nfs/dbraw/zinc/23/30/71/981233071.db2.gz OZTHELZVSYSJEB-UHFFFAOYSA-N 1 2 420.425 3.834 20 5 HHBDLO O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000436246519 981267229 /nfs/dbraw/zinc/26/72/29/981267229.db2.gz ZMRDOFFGNAXCNB-UHFFFAOYSA-N 1 2 408.408 3.702 20 5 HHBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436306629 981290178 /nfs/dbraw/zinc/29/01/78/981290178.db2.gz LHCGXFVHZNCNFY-UHFFFAOYSA-N 1 2 412.424 3.936 20 5 HHBDLO O=C(NCCCCNc1cccc[nH+]1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436423521 981360123 /nfs/dbraw/zinc/36/01/23/981360123.db2.gz UWZBBLRAPCDMJH-UHFFFAOYSA-N 1 2 422.435 3.977 20 5 HHBDLO Cc1ccc2[nH+]c(CSCC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cn2c1 ZINC000437120612 981773950 /nfs/dbraw/zinc/77/39/50/981773950.db2.gz UNPZEWOMQPKSDB-UHFFFAOYSA-N 1 2 410.499 3.975 20 5 HHBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)c2)CC1 ZINC000437226647 981883272 /nfs/dbraw/zinc/88/32/72/981883272.db2.gz IGHCUNAHVVKPDH-UHFFFAOYSA-N 1 2 422.407 3.613 20 5 HHBDLO Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)[C@H](C)CO2)c1 ZINC000460557972 982344077 /nfs/dbraw/zinc/34/40/77/982344077.db2.gz YNRGNBSHPIAJME-VGSWGCGISA-N 1 2 420.469 4.000 20 5 HHBDLO O=C(C[NH+]1CCC([C@H]2CCCO2)CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000439290318 983347796 /nfs/dbraw/zinc/34/77/96/983347796.db2.gz WCXADQYBXIGWKS-GOSISDBHSA-N 1 2 416.503 3.548 20 5 HHBDLO O=C(C[NH+]1CCC([C@@H]2CCCO2)CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000439290319 983347954 /nfs/dbraw/zinc/34/79/54/983347954.db2.gz WCXADQYBXIGWKS-SFHVURJKSA-N 1 2 416.503 3.548 20 5 HHBDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000439806671 983545891 /nfs/dbraw/zinc/54/58/91/983545891.db2.gz PAPNELZFPSVVPA-OPAMFIHVSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000439806671 983545893 /nfs/dbraw/zinc/54/58/93/983545893.db2.gz PAPNELZFPSVVPA-OPAMFIHVSA-N 1 2 410.518 3.979 20 5 HHBDLO CCc1sc(-c2nnc(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)cc1C ZINC000440505926 983778869 /nfs/dbraw/zinc/77/88/69/983778869.db2.gz ZMPVOVBUFCHVHC-CYBMUJFWSA-N 1 2 414.491 3.659 20 5 HHBDLO CCc1sc(-c2nnc(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)cc1C ZINC000440505926 983778872 /nfs/dbraw/zinc/77/88/72/983778872.db2.gz ZMPVOVBUFCHVHC-CYBMUJFWSA-N 1 2 414.491 3.659 20 5 HHBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(C)c1 ZINC000442230032 984749873 /nfs/dbraw/zinc/74/98/73/984749873.db2.gz CUFGKCNXEASHMN-JOCHJYFZSA-N 1 2 419.485 3.917 20 5 HHBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000462608629 985552322 /nfs/dbraw/zinc/55/23/22/985552322.db2.gz ZGIAVDADYPWNRE-HXUWFJFHSA-N 1 2 411.502 3.943 20 5 HHBDLO O=C1[C@@H]([N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000443646640 985838520 /nfs/dbraw/zinc/83/85/20/985838520.db2.gz WKEKNPQLZCFXOT-WMZOPIPTSA-N 1 2 401.850 3.507 20 5 HHBDLO O=C1[C@@H]([N@H+]2CC[C@H](Oc3ccccc3Cl)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000443646640 985838537 /nfs/dbraw/zinc/83/85/37/985838537.db2.gz WKEKNPQLZCFXOT-WMZOPIPTSA-N 1 2 401.850 3.507 20 5 HHBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000463087587 986044700 /nfs/dbraw/zinc/04/47/00/986044700.db2.gz VUZZEELPXHVBER-AWEZNQCLSA-N 1 2 423.922 3.984 20 5 HHBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000463088148 986045102 /nfs/dbraw/zinc/04/51/02/986045102.db2.gz BWAKZMYJXTYLKG-KBPBESRZSA-N 1 2 423.922 3.982 20 5 HHBDLO Cc1cncc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)c1 ZINC000463134738 986102528 /nfs/dbraw/zinc/10/25/28/986102528.db2.gz MMSCCWNQZZGOQL-UHFFFAOYSA-N 1 2 422.510 3.985 20 5 HHBDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC000468688918 986400761 /nfs/dbraw/zinc/40/07/61/986400761.db2.gz QYUYBIQAGKIBJD-MRXNPFEDSA-N 1 2 400.504 3.558 20 5 HHBDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC000468688918 986400765 /nfs/dbraw/zinc/40/07/65/986400765.db2.gz QYUYBIQAGKIBJD-MRXNPFEDSA-N 1 2 400.504 3.558 20 5 HHBDLO O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000444231252 986419085 /nfs/dbraw/zinc/41/90/85/986419085.db2.gz CXWPWXGOSBLGAV-UHFFFAOYSA-N 1 2 408.408 3.702 20 5 HHBDLO O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000444231252 986419093 /nfs/dbraw/zinc/41/90/93/986419093.db2.gz CXWPWXGOSBLGAV-UHFFFAOYSA-N 1 2 408.408 3.702 20 5 HHBDLO Cc1cc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)ccc1F ZINC000444733559 986905730 /nfs/dbraw/zinc/90/57/30/986905730.db2.gz LFEICDNGRYKLNM-UHFFFAOYSA-N 1 2 410.243 3.875 20 5 HHBDLO Cc1cc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)ccc1F ZINC000444733559 986905731 /nfs/dbraw/zinc/90/57/31/986905731.db2.gz LFEICDNGRYKLNM-UHFFFAOYSA-N 1 2 410.243 3.875 20 5 HHBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(CC(=O)Nc2cccc(C)c2C)CC1 ZINC000470170007 988085206 /nfs/dbraw/zinc/08/52/06/988085206.db2.gz NFQSHASOJSBGCL-NBVRZTHBSA-N 1 2 422.529 3.871 20 5 HHBDLO CCOc1ccccc1C(=O)N1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470179667 988095123 /nfs/dbraw/zinc/09/51/23/988095123.db2.gz ASUOWACTJSHFRM-SDXDJHTJSA-N 1 2 409.486 3.855 20 5 HHBDLO O=C(C[NH+]1CCC(OCC2CC2)CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000464817583 989054690 /nfs/dbraw/zinc/05/46/90/989054690.db2.gz HDPMYHDMUPCPNQ-UHFFFAOYSA-N 1 2 416.503 3.548 20 5 HHBDLO O=C(NCCc1ccccc1OC(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000464993251 989299797 /nfs/dbraw/zinc/29/97/97/989299797.db2.gz PRIMPIHQTROYMW-UHFFFAOYSA-N 1 2 420.347 3.652 20 5 HHBDLO CCOCCOCc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1C ZINC000465334666 989686913 /nfs/dbraw/zinc/68/69/13/989686913.db2.gz JAJFSERIACFFCD-UHFFFAOYSA-N 1 2 424.457 3.894 20 5 HHBDLO Cc1[nH+]ccn1-c1ccc([C@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000465493151 989841709 /nfs/dbraw/zinc/84/17/09/989841709.db2.gz RYSICXHMYIEWTN-LBPRGKRZSA-N 1 2 420.878 3.782 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000467221108 992544648 /nfs/dbraw/zinc/54/46/48/992544648.db2.gz ZORWCYBVCQUDQW-ZWKOTPCHSA-N 1 2 424.835 3.771 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000467221108 992544656 /nfs/dbraw/zinc/54/46/56/992544656.db2.gz ZORWCYBVCQUDQW-ZWKOTPCHSA-N 1 2 424.835 3.771 20 5 HHBDLO O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2cccc(N3CCOCC3)n2)c2ccccc2)c1 ZINC000480753194 993619835 /nfs/dbraw/zinc/61/98/35/993619835.db2.gz ATVQPFVSRFEIJE-QHCPKHFHSA-N 1 2 404.470 3.706 20 5 HHBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)c1 ZINC000482288098 995267658 /nfs/dbraw/zinc/26/76/58/995267658.db2.gz ZJGAMCMHENUHRP-UHFFFAOYSA-N 1 2 410.392 3.905 20 5 HHBDLO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)cc1[N+](=O)[O-] ZINC000474354646 995334388 /nfs/dbraw/zinc/33/43/88/995334388.db2.gz JTLDGSPHANUZTK-LBPRGKRZSA-N 1 2 407.492 3.751 20 5 HHBDLO CCn1cc(C[N@H+](CCO)Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cn1 ZINC000475495630 996179480 /nfs/dbraw/zinc/17/94/80/996179480.db2.gz LXXSFNSEISSQCQ-UHFFFAOYSA-N 1 2 414.437 3.737 20 5 HHBDLO CCn1cc(C[N@@H+](CCO)Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cn1 ZINC000475495630 996179482 /nfs/dbraw/zinc/17/94/82/996179482.db2.gz LXXSFNSEISSQCQ-UHFFFAOYSA-N 1 2 414.437 3.737 20 5 HHBDLO C[C@H]1C[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000475638022 996268267 /nfs/dbraw/zinc/26/82/67/996268267.db2.gz NOHQLBWRRWZZCN-BTYIYWSLSA-N 1 2 402.422 3.906 20 5 HHBDLO C[C@H]1C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000475638022 996268273 /nfs/dbraw/zinc/26/82/73/996268273.db2.gz NOHQLBWRRWZZCN-BTYIYWSLSA-N 1 2 402.422 3.906 20 5 HHBDLO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1nc(Cc2ccccc2)no1 ZINC000483652849 996309313 /nfs/dbraw/zinc/30/93/13/996309313.db2.gz LEVJBGZFERWEJT-OAHLLOKOSA-N 1 2 418.457 3.820 20 5 HHBDLO Cc1cc(-n2cc[nH+]c2)ccc1CSc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C ZINC000475868350 996431668 /nfs/dbraw/zinc/43/16/68/996431668.db2.gz UOTCUIVLSDXTGT-UHFFFAOYSA-N 1 2 407.455 3.628 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000484346891 996718781 /nfs/dbraw/zinc/71/87/81/996718781.db2.gz ZQEAVGRWWWUQRE-XHDPSFHLSA-N 1 2 403.401 3.841 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000484346891 996718786 /nfs/dbraw/zinc/71/87/86/996718786.db2.gz ZQEAVGRWWWUQRE-XHDPSFHLSA-N 1 2 403.401 3.841 20 5 HHBDLO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccccc1Cn1cc[nH+]c1 ZINC000485137536 997521468 /nfs/dbraw/zinc/52/14/68/997521468.db2.gz GQKRUSOWWBQYSW-UHFFFAOYSA-N 1 2 413.865 3.535 20 5 HHBDLO C[C@@H](c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1)[NH+]1CCOCC1 ZINC000485632866 998078492 /nfs/dbraw/zinc/07/84/92/998078492.db2.gz SCXDHFQAJSPZBQ-ZDUSSCGKSA-N 1 2 421.400 3.842 20 5 HHBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000477455792 998164118 /nfs/dbraw/zinc/16/41/18/998164118.db2.gz MQAHTZTZDVUAFG-GASCZTMLSA-N 1 2 401.438 3.524 20 5 HHBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000477455792 998164123 /nfs/dbraw/zinc/16/41/23/998164123.db2.gz MQAHTZTZDVUAFG-GASCZTMLSA-N 1 2 401.438 3.524 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000485747900 998219519 /nfs/dbraw/zinc/21/95/19/998219519.db2.gz DWOVBPCMPMKGDM-HNAYVOBHSA-N 1 2 400.385 3.530 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000485747900 998219529 /nfs/dbraw/zinc/21/95/29/998219529.db2.gz DWOVBPCMPMKGDM-HNAYVOBHSA-N 1 2 400.385 3.530 20 5 HHBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)n2)C1 ZINC000485890321 998344006 /nfs/dbraw/zinc/34/40/06/998344006.db2.gz SIRLKXXCRSLJKF-NSHDSACASA-N 1 2 410.446 3.743 20 5 HHBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)n2)C1 ZINC000485890321 998344010 /nfs/dbraw/zinc/34/40/10/998344010.db2.gz SIRLKXXCRSLJKF-NSHDSACASA-N 1 2 410.446 3.743 20 5 HHBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000477644320 998361371 /nfs/dbraw/zinc/36/13/71/998361371.db2.gz QYVUDMMCVBAEMW-WIYYLYMNSA-N 1 2 422.485 3.952 20 5 HHBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000477644320 998361384 /nfs/dbraw/zinc/36/13/84/998361384.db2.gz QYVUDMMCVBAEMW-WIYYLYMNSA-N 1 2 422.485 3.952 20 5 HHBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H](C)O1 ZINC000486021402 998468639 /nfs/dbraw/zinc/46/86/39/998468639.db2.gz XPEWTERDZYGMQR-HUUCEWRRSA-N 1 2 408.458 3.938 20 5 HHBDLO Cc1cc(F)ccc1C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000488076073 999369025 /nfs/dbraw/zinc/36/90/25/999369025.db2.gz PJVHKCFPVZZSHK-UHFFFAOYSA-N 1 2 410.243 3.875 20 5 HHBDLO Cc1cc(F)ccc1C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000488076073 999369028 /nfs/dbraw/zinc/36/90/28/999369028.db2.gz PJVHKCFPVZZSHK-UHFFFAOYSA-N 1 2 410.243 3.875 20 5 HHBDLO C[C@H]([NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000479357730 999402123 /nfs/dbraw/zinc/40/21/23/999402123.db2.gz IZSWFKZNXKTVMA-UWVGGRQHSA-N 1 2 418.302 3.961 20 5 HHBDLO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000479442989 999420009 /nfs/dbraw/zinc/42/00/09/999420009.db2.gz FKPORAQPUGAVHT-IBGZPJMESA-N 1 2 419.934 3.697 20 5 HHBDLO CC1(C)C[C@@H]([NH2+][C@H](C(N)=O)c2cccc(Br)c2)c2cc([N+](=O)[O-])ccc21 ZINC000479482423 999437288 /nfs/dbraw/zinc/43/72/88/999437288.db2.gz STMNRCSHCOIOLD-SJORKVTESA-N 1 2 418.291 3.896 20 5 HHBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000489095209 999697647 /nfs/dbraw/zinc/69/76/47/999697647.db2.gz ANFLQPRQXXXOAU-HNNXBMFYSA-N 1 2 400.504 3.747 20 5 HHBDLO Cc1c(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000480053301 999703249 /nfs/dbraw/zinc/70/32/49/999703249.db2.gz JTHHRUNUXHEAIG-LEWJYISDSA-N 1 2 405.458 3.828 20 5 HHBDLO O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000489493243 999777905 /nfs/dbraw/zinc/77/79/05/999777905.db2.gz DTANIVOEAUIGFE-INIZCTEOSA-N 1 2 408.311 3.953 20 5 HHBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000489914908 999861432 /nfs/dbraw/zinc/86/14/32/999861432.db2.gz DMKREOOANIKXJI-SECBINFHSA-N 1 2 411.365 3.747 20 5 HHBDLO O=C(C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1)Nc1ccccc1[N+](=O)[O-] ZINC000490013247 999877668 /nfs/dbraw/zinc/87/76/68/999877668.db2.gz CHHVWMMXLPWCPN-CQSZACIVSA-N 1 2 400.504 3.748 20 5 HHBDLO O=C(C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1)Nc1ccccc1[N+](=O)[O-] ZINC000490013247 999877671 /nfs/dbraw/zinc/87/76/71/999877671.db2.gz CHHVWMMXLPWCPN-CQSZACIVSA-N 1 2 400.504 3.748 20 5 HHBDLO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000490365780 999945400 /nfs/dbraw/zinc/94/54/00/999945400.db2.gz MADYKMHHDDIXRM-UHFFFAOYSA-N 1 2 408.462 3.864 20 5 HHBDLO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000490365780 999945407 /nfs/dbraw/zinc/94/54/07/999945407.db2.gz MADYKMHHDDIXRM-UHFFFAOYSA-N 1 2 408.462 3.864 20 5 HHBDLO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000490800721 1000008197 /nfs/dbraw/zinc/00/81/97/1000008197.db2.gz IDQQAEOWXYFUFK-UHFFFAOYSA-N 1 2 424.501 3.680 20 5 HHBDLO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000490800721 1000008198 /nfs/dbraw/zinc/00/81/98/1000008198.db2.gz IDQQAEOWXYFUFK-UHFFFAOYSA-N 1 2 424.501 3.680 20 5 HHBDLO COc1ccc(CN(C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C2CC2)cc1 ZINC000490804887 1000008768 /nfs/dbraw/zinc/00/87/68/1000008768.db2.gz VTWZKXJATNOMIM-UHFFFAOYSA-N 1 2 409.486 3.759 20 5 HHBDLO COc1ccc(CN(C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C2CC2)cc1 ZINC000490804887 1000008769 /nfs/dbraw/zinc/00/87/69/1000008769.db2.gz VTWZKXJATNOMIM-UHFFFAOYSA-N 1 2 409.486 3.759 20 5 HHBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N[C@H](c1nccs1)c1ccccc1 ZINC000490817181 1000011078 /nfs/dbraw/zinc/01/10/78/1000011078.db2.gz GBMBAMWXUWYTQG-NRFANRHFSA-N 1 2 422.510 3.922 20 5 HHBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N[C@H](c1nccs1)c1ccccc1 ZINC000490817181 1000011081 /nfs/dbraw/zinc/01/10/81/1000011081.db2.gz GBMBAMWXUWYTQG-NRFANRHFSA-N 1 2 422.510 3.922 20 5 HHBDLO CCOc1cc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000492676601 1000138466 /nfs/dbraw/zinc/13/84/66/1000138466.db2.gz RRZVZIQGVUAPGX-UHFFFAOYSA-N 1 2 411.502 3.661 20 5 HHBDLO CCOc1cc(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000492676601 1000138468 /nfs/dbraw/zinc/13/84/68/1000138468.db2.gz RRZVZIQGVUAPGX-UHFFFAOYSA-N 1 2 411.502 3.661 20 5 HHBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000505150633 1000579612 /nfs/dbraw/zinc/57/96/12/1000579612.db2.gz KKRWMATVKCXOTE-KRWDZBQOSA-N 1 2 411.506 3.726 20 5 HHBDLO Cc1c(Br)cc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000505542722 1000890419 /nfs/dbraw/zinc/89/04/19/1000890419.db2.gz LLGNMVUDPBYPIE-INIZCTEOSA-N 1 2 422.254 3.592 20 5 HHBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000505742742 1001002510 /nfs/dbraw/zinc/00/25/10/1001002510.db2.gz WIXWXXDNNYBTTB-QGZVFWFLSA-N 1 2 409.552 3.574 20 5 HHBDLO C[C@H](O)[C@H]1CC[N@@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000506036261 1001180028 /nfs/dbraw/zinc/18/00/28/1001180028.db2.gz MOZMSVZWYUHSKN-RFUYNDQBSA-N 1 2 403.866 3.631 20 5 HHBDLO C[C@H](O)[C@H]1CC[N@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000506036261 1001180032 /nfs/dbraw/zinc/18/00/32/1001180032.db2.gz MOZMSVZWYUHSKN-RFUYNDQBSA-N 1 2 403.866 3.631 20 5 HHBDLO Cn1cc(C[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497216669 1001282552 /nfs/dbraw/zinc/28/25/52/1001282552.db2.gz XZYZKIJTBLBWHU-UHFFFAOYSA-N 1 2 414.469 3.739 20 5 HHBDLO Cn1cc(C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497216669 1001282557 /nfs/dbraw/zinc/28/25/57/1001282557.db2.gz XZYZKIJTBLBWHU-UHFFFAOYSA-N 1 2 414.469 3.739 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497485824 1001393953 /nfs/dbraw/zinc/39/39/53/1001393953.db2.gz KZNWBAHQZUYAMG-LPHOPBHVSA-N 1 2 401.369 3.794 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497485824 1001393960 /nfs/dbraw/zinc/39/39/60/1001393960.db2.gz KZNWBAHQZUYAMG-LPHOPBHVSA-N 1 2 401.369 3.794 20 5 HHBDLO CSc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000497488036 1001395711 /nfs/dbraw/zinc/39/57/11/1001395711.db2.gz HVGBWJURIHDILB-QAPCUYQASA-N 1 2 407.442 3.770 20 5 HHBDLO CSc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000497488036 1001395717 /nfs/dbraw/zinc/39/57/17/1001395717.db2.gz HVGBWJURIHDILB-QAPCUYQASA-N 1 2 407.442 3.770 20 5 HHBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000497493145 1001398695 /nfs/dbraw/zinc/39/86/95/1001398695.db2.gz RQBWFCBLGJNHCV-NXXSPTCGSA-N 1 2 421.469 3.915 20 5 HHBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000497493145 1001398700 /nfs/dbraw/zinc/39/87/00/1001398700.db2.gz RQBWFCBLGJNHCV-NXXSPTCGSA-N 1 2 421.469 3.915 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497495292 1001401067 /nfs/dbraw/zinc/40/10/67/1001401067.db2.gz XRRFWFCYVKPHDE-CTNGQTDRSA-N 1 2 418.444 3.627 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497495292 1001401069 /nfs/dbraw/zinc/40/10/69/1001401069.db2.gz XRRFWFCYVKPHDE-CTNGQTDRSA-N 1 2 418.444 3.627 20 5 HHBDLO O=[N+]([O-])c1cc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)c2c(c1)COCO2 ZINC000506417055 1001403384 /nfs/dbraw/zinc/40/33/84/1001403384.db2.gz PHABBTGLSQLQSX-UHFFFAOYSA-N 1 2 423.391 3.802 20 5 HHBDLO CCC[N@H+](Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000506773547 1001522890 /nfs/dbraw/zinc/52/28/90/1001522890.db2.gz QVMFBQKSEURYFV-LJQANCHMSA-N 1 2 417.531 3.762 20 5 HHBDLO CCC[N@@H+](Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000506773547 1001522901 /nfs/dbraw/zinc/52/29/01/1001522901.db2.gz QVMFBQKSEURYFV-LJQANCHMSA-N 1 2 417.531 3.762 20 5 HHBDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000507002751 1001759001 /nfs/dbraw/zinc/75/90/01/1001759001.db2.gz RHTMGHRACAKHJE-UHFFFAOYSA-N 1 2 423.473 3.626 20 5 HHBDLO O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000507137716 1001830617 /nfs/dbraw/zinc/83/06/17/1001830617.db2.gz ATFCEEUUMRTUOQ-UHFFFAOYSA-N 1 2 421.388 3.547 20 5 HHBDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000498468781 1001897232 /nfs/dbraw/zinc/89/72/32/1001897232.db2.gz INHDZYDDLRBAKR-UHFFFAOYSA-N 1 2 406.870 3.653 20 5 HHBDLO O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000498887927 1002275397 /nfs/dbraw/zinc/27/53/97/1002275397.db2.gz RCAOEJAROSHDBT-NRFANRHFSA-N 1 2 417.400 3.834 20 5 HHBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000509293812 1003688534 /nfs/dbraw/zinc/68/85/34/1003688534.db2.gz JYEUPTFGPPKGJX-UHFFFAOYSA-N 1 2 407.474 3.960 20 5 HHBDLO O=C(NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1)c1ccsc1 ZINC000511871787 1003851492 /nfs/dbraw/zinc/85/14/92/1003851492.db2.gz JYRLOXFFTMWYCB-UHFFFAOYSA-N 1 2 411.430 3.652 20 5 HHBDLO CC(C)OCCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000500739096 1003929778 /nfs/dbraw/zinc/92/97/78/1003929778.db2.gz RNJOHOQSLPHRPS-UHFFFAOYSA-N 1 2 417.531 3.783 20 5 HHBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)n2)C1 ZINC000500921266 1004053069 /nfs/dbraw/zinc/05/30/69/1004053069.db2.gz QNJHODNXUIFJKP-IBGZPJMESA-N 1 2 415.494 3.663 20 5 HHBDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)n2)C1 ZINC000500921266 1004053079 /nfs/dbraw/zinc/05/30/79/1004053079.db2.gz QNJHODNXUIFJKP-IBGZPJMESA-N 1 2 415.494 3.663 20 5 HHBDLO O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000512197347 1004098016 /nfs/dbraw/zinc/09/80/16/1004098016.db2.gz PESADJQJLDJIHD-LPHOPBHVSA-N 1 2 406.442 3.678 20 5 HHBDLO COc1cccc([C@@H]2[C@H](NCc3c(F)cc([N+](=O)[O-])cc3F)CC[N@@H+]2C2CC2)c1 ZINC000510642118 1004773578 /nfs/dbraw/zinc/77/35/78/1004773578.db2.gz YTWYOXYHBMJEDK-NHCUHLMSSA-N 1 2 403.429 3.949 20 5 HHBDLO COc1cccc([C@@H]2[C@H](NCc3c(F)cc([N+](=O)[O-])cc3F)CC[N@H+]2C2CC2)c1 ZINC000510642118 1004773583 /nfs/dbraw/zinc/77/35/83/1004773583.db2.gz YTWYOXYHBMJEDK-NHCUHLMSSA-N 1 2 403.429 3.949 20 5 HHBDLO Cc1cc(Cl)ccc1C[NH+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000511062930 1005003115 /nfs/dbraw/zinc/00/31/15/1005003115.db2.gz FTZVOFBUBLPKPF-UHFFFAOYSA-N 1 2 417.893 3.741 20 5 HHBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)CCc3ccccc3[N+](=O)[O-])n2)C1 ZINC000513607079 1005046500 /nfs/dbraw/zinc/04/65/00/1005046500.db2.gz ZTYNDDULRUASKW-HNNXBMFYSA-N 1 2 417.535 3.990 20 5 HHBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)CCc3ccccc3[N+](=O)[O-])n2)C1 ZINC000513607079 1005046508 /nfs/dbraw/zinc/04/65/08/1005046508.db2.gz ZTYNDDULRUASKW-HNNXBMFYSA-N 1 2 417.535 3.990 20 5 HHBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000534042347 1006011439 /nfs/dbraw/zinc/01/14/39/1006011439.db2.gz VGEPPFGBBXDCKD-IRXDYDNUSA-N 1 2 412.490 3.568 20 5 HHBDLO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000515315272 1006388436 /nfs/dbraw/zinc/38/84/36/1006388436.db2.gz ATVMVRADLZRUJD-UHFFFAOYSA-N 1 2 417.469 3.564 20 5 HHBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)C1 ZINC000534643883 1006622391 /nfs/dbraw/zinc/62/23/91/1006622391.db2.gz ORYFIQNGUMWGBP-ZDUSSCGKSA-N 1 2 413.503 3.946 20 5 HHBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)C1 ZINC000534643883 1006622395 /nfs/dbraw/zinc/62/23/95/1006622395.db2.gz ORYFIQNGUMWGBP-ZDUSSCGKSA-N 1 2 413.503 3.946 20 5 HHBDLO COc1cc(C[NH2+][C@@H](C)c2nc(-c3ccncc3)cs2)c([N+](=O)[O-])cc1OC ZINC000538610021 1006880878 /nfs/dbraw/zinc/88/08/78/1006880878.db2.gz IMEATVQIWCZMJY-LBPRGKRZSA-N 1 2 400.460 3.981 20 5 HHBDLO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]([C@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])C3)nc2c1 ZINC000534952043 1006996077 /nfs/dbraw/zinc/99/60/77/1006996077.db2.gz TVDWGBOERWDWHT-CVEARBPZSA-N 1 2 407.474 3.986 20 5 HHBDLO Cc1ccc2[nH]c([C@H]3CCC[N@H+]([C@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])C3)nc2c1 ZINC000534952043 1006996112 /nfs/dbraw/zinc/99/61/12/1006996112.db2.gz TVDWGBOERWDWHT-CVEARBPZSA-N 1 2 407.474 3.986 20 5 HHBDLO Cc1ccc2nc([C@H]3CCC[N@@H+]([C@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000534952043 1006996134 /nfs/dbraw/zinc/99/61/34/1006996134.db2.gz TVDWGBOERWDWHT-CVEARBPZSA-N 1 2 407.474 3.986 20 5 HHBDLO Cc1ccc2nc([C@H]3CCC[N@H+]([C@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000534952043 1006996145 /nfs/dbraw/zinc/99/61/45/1006996145.db2.gz TVDWGBOERWDWHT-CVEARBPZSA-N 1 2 407.474 3.986 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(c2ccccc2F)CC1 ZINC000532572101 1007004206 /nfs/dbraw/zinc/00/42/06/1007004206.db2.gz AXEPTKZJOXBWOA-CQSZACIVSA-N 1 2 401.438 3.949 20 5 HHBDLO C[N@H+](CCn1cccn1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000532584077 1007019330 /nfs/dbraw/zinc/01/93/30/1007019330.db2.gz PSMKGJFZFWYQJH-IBGZPJMESA-N 1 2 413.865 3.757 20 5 HHBDLO C[N@@H+](CCn1cccn1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000532584077 1007019343 /nfs/dbraw/zinc/01/93/43/1007019343.db2.gz PSMKGJFZFWYQJH-IBGZPJMESA-N 1 2 413.865 3.757 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000535131443 1007168442 /nfs/dbraw/zinc/16/84/42/1007168442.db2.gz PFYPSPOEBLCAHO-FXAWDEMLSA-N 1 2 420.872 3.751 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000535131443 1007168451 /nfs/dbraw/zinc/16/84/51/1007168451.db2.gz PFYPSPOEBLCAHO-FXAWDEMLSA-N 1 2 420.872 3.751 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000535312851 1007364087 /nfs/dbraw/zinc/36/40/87/1007364087.db2.gz IIDFLTHBUBOIHK-LJQANCHMSA-N 1 2 420.473 3.854 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000535312851 1007364102 /nfs/dbraw/zinc/36/41/02/1007364102.db2.gz IIDFLTHBUBOIHK-LJQANCHMSA-N 1 2 420.473 3.854 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539128843 1007421321 /nfs/dbraw/zinc/42/13/21/1007421321.db2.gz ZRYHRUOJCUCFHQ-QAPCUYQASA-N 1 2 406.845 3.535 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539128843 1007421326 /nfs/dbraw/zinc/42/13/26/1007421326.db2.gz ZRYHRUOJCUCFHQ-QAPCUYQASA-N 1 2 406.845 3.535 20 5 HHBDLO COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)cc1[N+](=O)[O-] ZINC000533068239 1007431552 /nfs/dbraw/zinc/43/15/52/1007431552.db2.gz JDZSLHQHNCPKGY-QGZVFWFLSA-N 1 2 409.442 3.744 20 5 HHBDLO COc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)cc1[N+](=O)[O-] ZINC000533068239 1007431558 /nfs/dbraw/zinc/43/15/58/1007431558.db2.gz JDZSLHQHNCPKGY-QGZVFWFLSA-N 1 2 409.442 3.744 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000535375726 1007437776 /nfs/dbraw/zinc/43/77/76/1007437776.db2.gz XIUOJOAVBAIYOL-CXAGYDPISA-N 1 2 419.865 3.737 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000535375726 1007437788 /nfs/dbraw/zinc/43/77/88/1007437788.db2.gz XIUOJOAVBAIYOL-CXAGYDPISA-N 1 2 419.865 3.737 20 5 HHBDLO CSc1ccc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000517133493 1007447871 /nfs/dbraw/zinc/44/78/71/1007447871.db2.gz IQCBXQDXKHQAOM-AWEZNQCLSA-N 1 2 401.488 3.962 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000535453457 1007515884 /nfs/dbraw/zinc/51/58/84/1007515884.db2.gz NDQDKFUVWXQREA-KRWDZBQOSA-N 1 2 412.833 3.727 20 5 HHBDLO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1c(F)cccc1F ZINC000539233786 1007527364 /nfs/dbraw/zinc/52/73/64/1007527364.db2.gz NCSCBFBUBUMPTL-SECBINFHSA-N 1 2 414.206 3.925 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000539282474 1007578721 /nfs/dbraw/zinc/57/87/21/1007578721.db2.gz XIHYDICHOHHZNU-LLVKDONJSA-N 1 2 423.263 3.988 20 5 HHBDLO COc1ccc(-c2nnc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)s2)cc1 ZINC000535688424 1007721373 /nfs/dbraw/zinc/72/13/73/1007721373.db2.gz SEGLIEZLJWPOFZ-UHFFFAOYSA-N 1 2 422.426 3.560 20 5 HHBDLO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CC(n2cc[nH+]c2)C1 ZINC000535718541 1007756461 /nfs/dbraw/zinc/75/64/61/1007756461.db2.gz ZCHZNIQTWXNZQE-UHFFFAOYSA-N 1 2 411.849 3.754 20 5 HHBDLO CCOc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000535887144 1007906475 /nfs/dbraw/zinc/90/64/75/1007906475.db2.gz BZSJIHMYHBDTTR-LPHOPBHVSA-N 1 2 421.856 3.961 20 5 HHBDLO CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000535887144 1007906484 /nfs/dbraw/zinc/90/64/84/1007906484.db2.gz BZSJIHMYHBDTTR-LPHOPBHVSA-N 1 2 421.856 3.961 20 5 HHBDLO C[C@H](Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000535993511 1008032820 /nfs/dbraw/zinc/03/28/20/1008032820.db2.gz LGSPWJFAXLYWFL-HNNXBMFYSA-N 1 2 403.442 3.949 20 5 HHBDLO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000533722224 1008048637 /nfs/dbraw/zinc/04/86/37/1008048637.db2.gz FFUYCKSWPPBPED-HNNXBMFYSA-N 1 2 422.441 3.759 20 5 HHBDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000536044263 1008076750 /nfs/dbraw/zinc/07/67/50/1008076750.db2.gz RATZWHCHWFPJPE-UHFFFAOYSA-N 1 2 418.409 3.534 20 5 HHBDLO Cn1cc(N2CC[NH+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)CC2)cn1 ZINC000539840814 1008132125 /nfs/dbraw/zinc/13/21/25/1008132125.db2.gz MDFXUWVIJWTBKB-UHFFFAOYSA-N 1 2 411.437 3.582 20 5 HHBDLO CC[C@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](CC)CN1C(C)=O ZINC000539849793 1008139120 /nfs/dbraw/zinc/13/91/20/1008139120.db2.gz MGJASZYTLPOYIL-ROUUACIJSA-N 1 2 402.520 3.940 20 5 HHBDLO CC[C@H]1C[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](CC)CN1C(C)=O ZINC000539849793 1008139121 /nfs/dbraw/zinc/13/91/21/1008139121.db2.gz MGJASZYTLPOYIL-ROUUACIJSA-N 1 2 402.520 3.940 20 5 HHBDLO O=C(CC[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000533935346 1008217517 /nfs/dbraw/zinc/21/75/17/1008217517.db2.gz IZZHTVAYGKTXRJ-SFHVURJKSA-N 1 2 421.400 3.598 20 5 HHBDLO O=C(CC[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000533935346 1008217521 /nfs/dbraw/zinc/21/75/21/1008217521.db2.gz IZZHTVAYGKTXRJ-SFHVURJKSA-N 1 2 421.400 3.598 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000540226169 1008343566 /nfs/dbraw/zinc/34/35/66/1008343566.db2.gz SOHHGSXTFZJXQV-RHSMWYFYSA-N 1 2 423.876 3.799 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000540226169 1008343568 /nfs/dbraw/zinc/34/35/68/1008343568.db2.gz SOHHGSXTFZJXQV-RHSMWYFYSA-N 1 2 423.876 3.799 20 5 HHBDLO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000518644424 1008377232 /nfs/dbraw/zinc/37/72/32/1008377232.db2.gz PPIRODUYRBADPU-SFHVURJKSA-N 1 2 420.872 3.753 20 5 HHBDLO COc1cccc(C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]2CCCO2)c1 ZINC000518827127 1008436132 /nfs/dbraw/zinc/43/61/32/1008436132.db2.gz NEFPMYMYWBEBDY-HXUWFJFHSA-N 1 2 424.457 3.835 20 5 HHBDLO COc1cccc(C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]2CCCO2)c1 ZINC000518827127 1008436133 /nfs/dbraw/zinc/43/61/33/1008436133.db2.gz NEFPMYMYWBEBDY-HXUWFJFHSA-N 1 2 424.457 3.835 20 5 HHBDLO Cc1ncsc1C[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000519035479 1008507520 /nfs/dbraw/zinc/50/75/20/1008507520.db2.gz XGASVIRZDDREAA-UHFFFAOYSA-N 1 2 403.245 3.596 20 5 HHBDLO Cc1ncsc1C[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000519035479 1008507526 /nfs/dbraw/zinc/50/75/26/1008507526.db2.gz XGASVIRZDDREAA-UHFFFAOYSA-N 1 2 403.245 3.596 20 5 HHBDLO C[C@H](C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000543521217 1009112883 /nfs/dbraw/zinc/11/28/83/1009112883.db2.gz JOLTVTIJTBNSHY-GJZGRUSLSA-N 1 2 403.429 3.882 20 5 HHBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000543640816 1009245202 /nfs/dbraw/zinc/24/52/02/1009245202.db2.gz GTPKLWVGBBKTCQ-UHFFFAOYSA-N 1 2 422.844 3.616 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543891715 1009470965 /nfs/dbraw/zinc/47/09/65/1009470965.db2.gz HIUKXUBWSLTIOT-HKUYNNGSSA-N 1 2 422.407 3.647 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543891715 1009470969 /nfs/dbraw/zinc/47/09/69/1009470969.db2.gz HIUKXUBWSLTIOT-HKUYNNGSSA-N 1 2 422.407 3.647 20 5 HHBDLO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000549919455 1009537944 /nfs/dbraw/zinc/53/79/44/1009537944.db2.gz JHJHAJFYMWVJSG-QNQZFDRPSA-N 1 2 403.523 3.984 20 5 HHBDLO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000549919455 1009537959 /nfs/dbraw/zinc/53/79/59/1009537959.db2.gz JHJHAJFYMWVJSG-QNQZFDRPSA-N 1 2 403.523 3.984 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543952975 1009553165 /nfs/dbraw/zinc/55/31/65/1009553165.db2.gz PWKJHDUJXUHKCL-UTKZUKDTSA-N 1 2 421.419 3.815 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543952975 1009553175 /nfs/dbraw/zinc/55/31/75/1009553175.db2.gz PWKJHDUJXUHKCL-UTKZUKDTSA-N 1 2 421.419 3.815 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543952976 1009553524 /nfs/dbraw/zinc/55/35/24/1009553524.db2.gz PWKJHDUJXUHKCL-UWJYYQICSA-N 1 2 421.419 3.815 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543952976 1009553533 /nfs/dbraw/zinc/55/35/33/1009553533.db2.gz PWKJHDUJXUHKCL-UWJYYQICSA-N 1 2 421.419 3.815 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543952973 1009553807 /nfs/dbraw/zinc/55/38/07/1009553807.db2.gz PWKJHDUJXUHKCL-DYESRHJHSA-N 1 2 421.419 3.815 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543952973 1009553816 /nfs/dbraw/zinc/55/38/16/1009553816.db2.gz PWKJHDUJXUHKCL-DYESRHJHSA-N 1 2 421.419 3.815 20 5 HHBDLO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000544024465 1009624812 /nfs/dbraw/zinc/62/48/12/1009624812.db2.gz FFNVOVCXYDROCB-UHFFFAOYSA-N 1 2 421.295 3.886 20 5 HHBDLO CC(C)CNC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000520543037 1009627834 /nfs/dbraw/zinc/62/78/34/1009627834.db2.gz GOACEWXZFNXRAZ-UHFFFAOYSA-N 1 2 402.520 3.807 20 5 HHBDLO CCC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccccc1OC ZINC000544061252 1009665222 /nfs/dbraw/zinc/66/52/22/1009665222.db2.gz HATBBBXVVQQTMD-MRXNPFEDSA-N 1 2 406.504 3.850 20 5 HHBDLO CCC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccccc1OC ZINC000544061252 1009665230 /nfs/dbraw/zinc/66/52/30/1009665230.db2.gz HATBBBXVVQQTMD-MRXNPFEDSA-N 1 2 406.504 3.850 20 5 HHBDLO COc1ccc([C@H]2CCCCC[N@@H+]2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000544069705 1009673449 /nfs/dbraw/zinc/67/34/49/1009673449.db2.gz LWHWLLSAHMDXOD-OAQYLSRUSA-N 1 2 418.515 3.994 20 5 HHBDLO COc1ccc([C@H]2CCCCC[N@H+]2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000544069705 1009673458 /nfs/dbraw/zinc/67/34/58/1009673458.db2.gz LWHWLLSAHMDXOD-OAQYLSRUSA-N 1 2 418.515 3.994 20 5 HHBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000550112807 1009708934 /nfs/dbraw/zinc/70/89/34/1009708934.db2.gz UFOBZWIIWIOHFY-UHFFFAOYSA-N 1 2 405.454 3.585 20 5 HHBDLO COc1cc(NCCc2cn3cc(Br)cc(C)c3[nH+]2)ccc1[N+](=O)[O-] ZINC000546757455 1009725084 /nfs/dbraw/zinc/72/50/84/1009725084.db2.gz XZSYFVRAJHEVIZ-UHFFFAOYSA-N 1 2 405.252 3.977 20 5 HHBDLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccco1 ZINC000544449277 1010071423 /nfs/dbraw/zinc/07/14/23/1010071423.db2.gz MTWPYASKNWGXAA-DOMZBBRYSA-N 1 2 416.459 3.616 20 5 HHBDLO O=[N+]([O-])c1ccc(SCc2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000521043849 1010071857 /nfs/dbraw/zinc/07/18/57/1010071857.db2.gz XQNZOIQRAWEQSK-UHFFFAOYSA-N 1 2 412.471 3.769 20 5 HHBDLO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1nc(C(F)(F)F)cs1 ZINC000544459181 1010081870 /nfs/dbraw/zinc/08/18/70/1010081870.db2.gz PKUCJHDEKDFSKE-SNVBAGLBSA-N 1 2 418.397 3.758 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000547262313 1010208781 /nfs/dbraw/zinc/20/87/81/1010208781.db2.gz WKZKLHONVZFRJJ-RTBURBONSA-N 1 2 421.419 3.851 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000547262313 1010208790 /nfs/dbraw/zinc/20/87/90/1010208790.db2.gz WKZKLHONVZFRJJ-RTBURBONSA-N 1 2 421.419 3.851 20 5 HHBDLO Cn1c[nH+]cc1CCNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000548515196 1010653285 /nfs/dbraw/zinc/65/32/85/1010653285.db2.gz CHBNPTGXCIEKRU-UHFFFAOYSA-N 1 2 413.865 3.566 20 5 HHBDLO CCOc1ccc(C[NH+]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000522030990 1010765940 /nfs/dbraw/zinc/76/59/40/1010765940.db2.gz UIMSDHSJANVUOE-UHFFFAOYSA-N 1 2 417.893 3.534 20 5 HHBDLO O=C(Nc1nccn1Cc1ccccc1Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000522337239 1010938858 /nfs/dbraw/zinc/93/88/58/1010938858.db2.gz XAOAYXNQVWCFGW-UHFFFAOYSA-N 1 2 422.832 3.931 20 5 HHBDLO Cc1cn2cc(NC(=O)NCCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc2[nH+]1 ZINC000523421943 1011907811 /nfs/dbraw/zinc/90/78/11/1011907811.db2.gz YBGYQWLCEYULAA-UHFFFAOYSA-N 1 2 422.367 3.803 20 5 HHBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1cc[nH+]c(N2CCCC2)c1 ZINC000541264705 1011953403 /nfs/dbraw/zinc/95/34/03/1011953403.db2.gz QFHCNYHCLOVWOF-UHFFFAOYSA-N 1 2 406.895 3.652 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000536917341 1012194411 /nfs/dbraw/zinc/19/44/11/1012194411.db2.gz VMKQXMYIFKRHEL-OXQOHEQNSA-N 1 2 421.856 3.718 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000536917341 1012194430 /nfs/dbraw/zinc/19/44/30/1012194430.db2.gz VMKQXMYIFKRHEL-OXQOHEQNSA-N 1 2 421.856 3.718 20 5 HHBDLO C[C@H](C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000541622114 1012432225 /nfs/dbraw/zinc/43/22/25/1012432225.db2.gz MRGSKTSJKVCMPQ-GJZGRUSLSA-N 1 2 401.438 3.869 20 5 HHBDLO CC[N@H+](Cc1cn(C)nn1)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000541921623 1012781658 /nfs/dbraw/zinc/78/16/58/1012781658.db2.gz OOWWNBMZHXQIBP-UHFFFAOYSA-N 1 2 417.473 3.598 20 5 HHBDLO CC[N@@H+](Cc1cn(C)nn1)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000541921623 1012781670 /nfs/dbraw/zinc/78/16/70/1012781670.db2.gz OOWWNBMZHXQIBP-UHFFFAOYSA-N 1 2 417.473 3.598 20 5 HHBDLO COc1cc(C[NH+]2CCN(c3ccc(C)cc3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC001168369886 1071929419 /nfs/dbraw/zinc/92/94/19/1071929419.db2.gz CGZHELLHLBLUGW-UHFFFAOYSA-N 1 2 421.444 3.878 20 5 HHBDLO COc1ccc(CC(N)=[NH+]OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000760351769 1072270754 /nfs/dbraw/zinc/27/07/54/1072270754.db2.gz UAHKTOOFTSZCHI-UHFFFAOYSA-N 1 2 412.402 3.508 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCn2c(cc3ccccc32)C1 ZINC000588793191 1073258738 /nfs/dbraw/zinc/25/87/38/1073258738.db2.gz CKYFCTRVBIBKAE-UHFFFAOYSA-N 1 2 401.426 3.781 20 5 HHBDLO CNC(=O)c1ccc(C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)cc1 ZINC000760809345 1074124968 /nfs/dbraw/zinc/12/49/68/1074124968.db2.gz ZFUIIVPHHVFAIA-UHFFFAOYSA-N 1 2 406.442 3.774 20 5 HHBDLO CNC(=O)c1ccc(C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)cc1 ZINC000760809345 1074124973 /nfs/dbraw/zinc/12/49/73/1074124973.db2.gz ZFUIIVPHHVFAIA-UHFFFAOYSA-N 1 2 406.442 3.774 20 5 HHBDLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000760853469 1074453391 /nfs/dbraw/zinc/45/33/91/1074453391.db2.gz MCXKTOFIAPMQRH-UHFFFAOYSA-N 1 2 402.451 3.739 20 5 HHBDLO O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Oc1cccc(-n2cc[nH+]c2)c1 ZINC000301387760 970901161 /nfs/dbraw/zinc/90/11/61/970901161.db2.gz WVQJORIRZYFQLV-UHFFFAOYSA-N 1 2 413.333 3.866 20 5 HHBDLO Cc1nc(Sc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000301654756 971016577 /nfs/dbraw/zinc/01/65/77/971016577.db2.gz RKRVMLUZEVWORI-GFCCVEGCSA-N 1 2 402.455 3.792 20 5 HHBDLO C[C@H]1C[C@@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000302188964 971203024 /nfs/dbraw/zinc/20/30/24/971203024.db2.gz QJURZEVALPJECT-HOCLYGCPSA-N 1 2 423.560 3.549 20 5 HHBDLO C[C@H]1C[C@@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000302188964 971203028 /nfs/dbraw/zinc/20/30/28/971203028.db2.gz QJURZEVALPJECT-HOCLYGCPSA-N 1 2 423.560 3.549 20 5 HHBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000537681790 1013241923 /nfs/dbraw/zinc/24/19/23/1013241923.db2.gz XIJKCVZBVQQNGT-HNNXBMFYSA-N 1 2 411.437 3.663 20 5 HHBDLO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000007927348 961373902 /nfs/dbraw/zinc/37/39/02/961373902.db2.gz YJLKWIMFWBMLML-CQSZACIVSA-N 1 2 409.895 3.929 20 5 HHBDLO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000007927348 961373917 /nfs/dbraw/zinc/37/39/17/961373917.db2.gz YJLKWIMFWBMLML-CQSZACIVSA-N 1 2 409.895 3.929 20 5 HHBDLO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000542479555 1013427975 /nfs/dbraw/zinc/42/79/75/1013427975.db2.gz QXJHFBQQPKSUHY-UHFFFAOYSA-N 1 2 417.940 3.630 20 5 HHBDLO CCc1ccc([C@@H]([NH2+]Cc2ccc(N3CCOCC3)nc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542482094 1013429602 /nfs/dbraw/zinc/42/96/02/1013429602.db2.gz NKYYZVRZAUONAA-QHCPKHFHSA-N 1 2 422.485 3.861 20 5 HHBDLO C[C@@H]1CCCN(c2ccc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)cc2[N+](=O)[O-])C1 ZINC000023608284 963860311 /nfs/dbraw/zinc/86/03/11/963860311.db2.gz VCODSFWHHVNMKA-CYBMUJFWSA-N 1 2 415.519 3.528 20 5 HHBDLO C[C@@H]1CCCN(c2ccc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)cc2[N+](=O)[O-])C1 ZINC000023608284 963860316 /nfs/dbraw/zinc/86/03/16/963860316.db2.gz VCODSFWHHVNMKA-CYBMUJFWSA-N 1 2 415.519 3.528 20 5 HHBDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)c2ccc(Cl)cc2)C1 ZINC000542508057 1013452217 /nfs/dbraw/zinc/45/22/17/1013452217.db2.gz VOSMNXAXZVSWHN-MJGOQNOKSA-N 1 2 413.865 3.675 20 5 HHBDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)c2ccc(Cl)cc2)C1 ZINC000542508057 1013452226 /nfs/dbraw/zinc/45/22/26/1013452226.db2.gz VOSMNXAXZVSWHN-MJGOQNOKSA-N 1 2 413.865 3.675 20 5 HHBDLO CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)[NH+]1CCOCC1 ZINC000542513667 1013458212 /nfs/dbraw/zinc/45/82/12/1013458212.db2.gz LIVCRTDAFPRMNQ-UHFFFAOYSA-N 1 2 421.563 3.718 20 5 HHBDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000553636071 1013512678 /nfs/dbraw/zinc/51/26/78/1013512678.db2.gz VWKCCDXRXQLHMI-UHFFFAOYSA-N 1 2 406.427 3.610 20 5 HHBDLO Cc1c([C@@H](C)[NH2+][C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cnn1C ZINC000542585779 1013526051 /nfs/dbraw/zinc/52/60/51/1013526051.db2.gz FLUTVUKARNTQHJ-QVKFZJNVSA-N 1 2 407.474 3.976 20 5 HHBDLO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NC1CCN(c2cccc[nH+]2)CC1 ZINC000052185433 964834219 /nfs/dbraw/zinc/83/42/19/964834219.db2.gz IKTQALLTAWGZJU-UHFFFAOYSA-N 1 2 411.340 3.998 20 5 HHBDLO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cs1 ZINC000542591327 1013531734 /nfs/dbraw/zinc/53/17/34/1013531734.db2.gz TWIFJGFRVCTGJQ-CQSZACIVSA-N 1 2 417.512 3.843 20 5 HHBDLO C[C@@H](C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000542647610 1013579384 /nfs/dbraw/zinc/57/93/84/1013579384.db2.gz LSLJZNVRUJNGGC-OAHLLOKOSA-N 1 2 400.454 3.929 20 5 HHBDLO O=C(Nc1ccccc1NC(=O)N1CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000058386727 965716454 /nfs/dbraw/zinc/71/64/54/965716454.db2.gz VYCCCYPEMSBLTK-UHFFFAOYSA-N 1 2 420.429 3.661 20 5 HHBDLO O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055591774 965945480 /nfs/dbraw/zinc/94/54/80/965945480.db2.gz VBQCNMHZOBYJMI-UHFFFAOYSA-N 1 2 419.441 3.705 20 5 HHBDLO CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000032140930 966194899 /nfs/dbraw/zinc/19/48/99/966194899.db2.gz DMNRMVWJGPFKOA-UHFFFAOYSA-N 1 2 407.430 3.561 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCc2cc(OC(F)F)ccc21 ZINC000056237505 966270529 /nfs/dbraw/zinc/27/05/29/966270529.db2.gz GHCBODPFMKMPAT-UHFFFAOYSA-N 1 2 414.368 3.975 20 5 HHBDLO CCCCOc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1OC ZINC000032748548 966322607 /nfs/dbraw/zinc/32/26/07/966322607.db2.gz XDUDEQRKBHGASG-UHFFFAOYSA-N 1 2 424.457 3.898 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000044223866 967168176 /nfs/dbraw/zinc/16/81/76/967168176.db2.gz KBZJBIBBDWKLBR-UHFFFAOYSA-N 1 2 414.425 3.586 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000064481049 967208044 /nfs/dbraw/zinc/20/80/44/967208044.db2.gz WXQQJZGXPRORQQ-UHFFFAOYSA-N 1 2 403.866 3.605 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000064481049 967208053 /nfs/dbraw/zinc/20/80/53/967208053.db2.gz WXQQJZGXPRORQQ-UHFFFAOYSA-N 1 2 403.866 3.605 20 5 HHBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000044634678 967263080 /nfs/dbraw/zinc/26/30/80/967263080.db2.gz UOPHAHGZXRAOEX-UHFFFAOYSA-N 1 2 414.462 3.749 20 5 HHBDLO O=[N+]([O-])c1c2cccnc2ccc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000108099493 969358087 /nfs/dbraw/zinc/35/80/87/969358087.db2.gz CTICZZAHVDQYJY-UHFFFAOYSA-N 1 2 412.877 3.997 20 5 HHBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000109000591 969447420 /nfs/dbraw/zinc/44/74/20/969447420.db2.gz FSYHCVLSOBMVKG-OAHLLOKOSA-N 1 2 401.488 3.546 20 5 HHBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000138465673 969996426 /nfs/dbraw/zinc/99/64/26/969996426.db2.gz IXGYVIIQPYEBGP-LBPRGKRZSA-N 1 2 418.812 3.657 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(Cc1ccco1)Cc1cccnc1 ZINC000218965556 970088579 /nfs/dbraw/zinc/08/85/79/970088579.db2.gz JCZPTDJIFXPDDN-UHFFFAOYSA-N 1 2 403.398 3.611 20 5 HHBDLO O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000145049409 970250641 /nfs/dbraw/zinc/25/06/41/970250641.db2.gz FHBSZDMRVQUAQD-NQIIRXRSSA-N 1 2 406.442 3.678 20 5 HHBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000425996628 974111116 /nfs/dbraw/zinc/11/11/16/974111116.db2.gz RLALXXRZGVXGOB-RTWAWAEBSA-N 1 2 405.458 3.562 20 5 HHBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426031983 974153562 /nfs/dbraw/zinc/15/35/62/974153562.db2.gz VISBPCPVNAUNEQ-UHFFFAOYSA-N 1 2 405.458 3.714 20 5 HHBDLO C[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000426270314 974359859 /nfs/dbraw/zinc/35/98/59/974359859.db2.gz HYYGYXCYVHZZSU-WBMJQRKESA-N 1 2 411.384 3.603 20 5 HHBDLO COc1ccccc1[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccco1 ZINC000426970072 974787922 /nfs/dbraw/zinc/78/79/22/974787922.db2.gz AXEFZDWLTXSVLH-NRFANRHFSA-N 1 2 418.409 3.902 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000427516724 975156537 /nfs/dbraw/zinc/15/65/37/975156537.db2.gz OFFHNTMPOYGBBG-KRWDZBQOSA-N 1 2 421.856 3.963 20 5 HHBDLO O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000427548679 975176952 /nfs/dbraw/zinc/17/69/52/975176952.db2.gz YEZXKVNZDXWOSM-WIYYLYMNSA-N 1 2 406.442 3.648 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(c2ncc(C)s2)CC1 ZINC000433152643 979102391 /nfs/dbraw/zinc/10/23/91/979102391.db2.gz SJZLRPOIQATJFW-CYBMUJFWSA-N 1 2 404.492 3.575 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000434781379 980395654 /nfs/dbraw/zinc/39/56/54/980395654.db2.gz FMGZGCQBFXMYFV-IEBWSBKVSA-N 1 2 424.284 3.739 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000434781379 980395659 /nfs/dbraw/zinc/39/56/59/980395659.db2.gz FMGZGCQBFXMYFV-IEBWSBKVSA-N 1 2 424.284 3.739 20 5 HHBDLO O=[N+]([O-])c1ccc2oc(CN3CC[NH+](CCOc4ccc(Cl)cc4)CC3)nc2c1 ZINC000434840064 980436114 /nfs/dbraw/zinc/43/61/14/980436114.db2.gz SDAUMPLENDDWBY-UHFFFAOYSA-N 1 2 416.865 3.586 20 5 HHBDLO Cc1cc(OCC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)ccc1[N+](=O)[O-] ZINC000435579884 980949062 /nfs/dbraw/zinc/94/90/62/980949062.db2.gz QXVSCJPIMYWFHI-UHFFFAOYSA-N 1 2 404.492 3.609 20 5 HHBDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435826048 981048135 /nfs/dbraw/zinc/04/81/35/981048135.db2.gz MYRNSLDPDVYGSG-UHFFFAOYSA-N 1 2 413.477 3.766 20 5 HHBDLO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436994114 981673961 /nfs/dbraw/zinc/67/39/61/981673961.db2.gz AWOQPRUOTPIGSQ-SFHVURJKSA-N 1 2 421.457 3.505 20 5 HHBDLO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436994114 981673965 /nfs/dbraw/zinc/67/39/65/981673965.db2.gz AWOQPRUOTPIGSQ-SFHVURJKSA-N 1 2 421.457 3.505 20 5 HHBDLO CO[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000460294897 982071355 /nfs/dbraw/zinc/07/13/55/982071355.db2.gz CXTYBACCFFATJC-SFHVURJKSA-N 1 2 400.822 3.551 20 5 HHBDLO O=C(N[C@@H]1c2ccccc2CC12CCOCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000461035986 982737326 /nfs/dbraw/zinc/73/73/26/982737326.db2.gz UVXHJKMYRSOOCB-OAQYLSRUSA-N 1 2 418.453 3.605 20 5 HHBDLO Cc1c(CC(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000439080938 983241332 /nfs/dbraw/zinc/24/13/32/983241332.db2.gz ZNLKEWUSTYZRIE-UHFFFAOYSA-N 1 2 418.457 3.721 20 5 HHBDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000439791930 983541382 /nfs/dbraw/zinc/54/13/82/983541382.db2.gz YJIBZSVARQBFSX-KSFYIVLOSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000439791930 983541385 /nfs/dbraw/zinc/54/13/85/983541385.db2.gz YJIBZSVARQBFSX-KSFYIVLOSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000439800041 983543833 /nfs/dbraw/zinc/54/38/33/983543833.db2.gz HWMLHRPKSRRFOQ-VFNWGFHPSA-N 1 2 414.481 3.810 20 5 HHBDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000439800041 983543836 /nfs/dbraw/zinc/54/38/36/983543836.db2.gz HWMLHRPKSRRFOQ-VFNWGFHPSA-N 1 2 414.481 3.810 20 5 HHBDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000439806669 983545992 /nfs/dbraw/zinc/54/59/92/983545992.db2.gz PAPNELZFPSVVPA-AOMKIAJQSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000439806669 983545997 /nfs/dbraw/zinc/54/59/97/983545997.db2.gz PAPNELZFPSVVPA-AOMKIAJQSA-N 1 2 410.518 3.979 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000439926005 983584786 /nfs/dbraw/zinc/58/47/86/983584786.db2.gz HLFXUIAXBYUPNY-APWZRJJASA-N 1 2 420.416 3.839 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000439926005 983584790 /nfs/dbraw/zinc/58/47/90/983584790.db2.gz HLFXUIAXBYUPNY-APWZRJJASA-N 1 2 420.416 3.839 20 5 HHBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CCNc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000441493713 984285500 /nfs/dbraw/zinc/28/55/00/984285500.db2.gz UDIFFUSUUDYXEE-HXUWFJFHSA-N 1 2 407.474 3.768 20 5 HHBDLO C[C@H]([C@H](C)NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000442731009 985190796 /nfs/dbraw/zinc/19/07/96/985190796.db2.gz GUGOWHPDKFXKQO-JKSUJKDBSA-N 1 2 415.515 3.585 20 5 HHBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CCO1 ZINC000442808306 985222070 /nfs/dbraw/zinc/22/20/70/985222070.db2.gz HCMZPOGNJDUPAP-MRXNPFEDSA-N 1 2 415.515 3.587 20 5 HHBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CCO1 ZINC000442808306 985222077 /nfs/dbraw/zinc/22/20/77/985222077.db2.gz HCMZPOGNJDUPAP-MRXNPFEDSA-N 1 2 415.515 3.587 20 5 HHBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000462469806 985427704 /nfs/dbraw/zinc/42/77/04/985427704.db2.gz RXSIJHPGQYPFDR-LBPRGKRZSA-N 1 2 424.331 3.544 20 5 HHBDLO CNc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000462781611 985715871 /nfs/dbraw/zinc/71/58/71/985715871.db2.gz YXKTUPLGDDGTGW-QAPCUYQASA-N 1 2 406.845 3.604 20 5 HHBDLO CNc1c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000462781611 985715880 /nfs/dbraw/zinc/71/58/80/985715880.db2.gz YXKTUPLGDDGTGW-QAPCUYQASA-N 1 2 406.845 3.604 20 5 HHBDLO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H](C(N)=O)c1cccc(Br)c1 ZINC000468471932 986165689 /nfs/dbraw/zinc/16/56/89/986165689.db2.gz YUSWYIADRSXWOY-JZLODUJNSA-N 1 2 404.264 3.529 20 5 HHBDLO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H](C(N)=O)c1cccc(Br)c1 ZINC000468471932 986165695 /nfs/dbraw/zinc/16/56/95/986165695.db2.gz YUSWYIADRSXWOY-JZLODUJNSA-N 1 2 404.264 3.529 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000444038297 986236285 /nfs/dbraw/zinc/23/62/85/986236285.db2.gz XZDKKQSWECGRPB-UHFFFAOYSA-N 1 2 421.544 3.561 20 5 HHBDLO O=C(NCCCNc1cccc[nH+]1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444038953 986237476 /nfs/dbraw/zinc/23/74/76/986237476.db2.gz KDUQNXWQHYCBFG-UHFFFAOYSA-N 1 2 408.408 3.587 20 5 HHBDLO CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000468790228 986501161 /nfs/dbraw/zinc/50/11/61/986501161.db2.gz BSINURFIQZWMQL-UHFFFAOYSA-N 1 2 420.425 3.550 20 5 HHBDLO Cc1cc(Oc2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cc2)n[nH]1 ZINC000469116169 986832592 /nfs/dbraw/zinc/83/25/92/986832592.db2.gz XESCTNZGMLPCHT-UHFFFAOYSA-N 1 2 404.386 3.857 20 5 HHBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000444658589 986839825 /nfs/dbraw/zinc/83/98/25/986839825.db2.gz NRERECCVPZEGRB-GOSISDBHSA-N 1 2 419.485 3.960 20 5 HHBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(c4nc(-c5ccccc5)n[nH]4)CC3)nc2c1 ZINC000444659061 986841304 /nfs/dbraw/zinc/84/13/04/986841304.db2.gz PASSIRMTFOZDIC-UHFFFAOYSA-N 1 2 403.446 3.636 20 5 HHBDLO COc1cc(C(=O)NCCc2[nH]cc[nH+]2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000469253340 986972494 /nfs/dbraw/zinc/97/24/94/986972494.db2.gz XQGIWIASWYWXAG-UHFFFAOYSA-N 1 2 416.821 3.745 20 5 HHBDLO CCOc1cc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1OCC ZINC000469715401 987369767 /nfs/dbraw/zinc/36/97/67/987369767.db2.gz NCSLZYYUBXPHSZ-RHSMWYFYSA-N 1 2 417.466 3.704 20 5 HHBDLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC2)cc1 ZINC000463956554 988068148 /nfs/dbraw/zinc/06/81/48/988068148.db2.gz XRHDXSYHKJMQEF-UHFFFAOYSA-N 1 2 412.490 3.960 20 5 HHBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000470177559 988093467 /nfs/dbraw/zinc/09/34/67/988093467.db2.gz DDZBCCKQGFCBQH-AQTBWJFISA-N 1 2 418.497 3.866 20 5 HHBDLO COc1ccc(-c2noc(C[NH+]3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)n2)cc1 ZINC000464769926 988993732 /nfs/dbraw/zinc/99/37/32/988993732.db2.gz BFPISEOWJJOKPL-UHFFFAOYSA-N 1 2 410.430 3.697 20 5 HHBDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464783038 989012195 /nfs/dbraw/zinc/01/21/95/989012195.db2.gz FFVHLIISMUVBGP-ZDUSSCGKSA-N 1 2 404.854 3.514 20 5 HHBDLO CCCCOC1CC[NH+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000464859613 989114111 /nfs/dbraw/zinc/11/41/11/989114111.db2.gz OPUBKVOLOBORMP-UHFFFAOYSA-N 1 2 418.519 3.938 20 5 HHBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)nn1 ZINC000472005484 990174629 /nfs/dbraw/zinc/17/46/29/990174629.db2.gz LYZORLKKCJUDEZ-UHFFFAOYSA-N 1 2 400.398 3.514 20 5 HHBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCCc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000466137216 991318123 /nfs/dbraw/zinc/31/81/23/991318123.db2.gz AWLQFNGQEPRABM-CALCHBBNSA-N 1 2 412.490 3.568 20 5 HHBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCCc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000466137216 991318134 /nfs/dbraw/zinc/31/81/34/991318134.db2.gz AWLQFNGQEPRABM-CALCHBBNSA-N 1 2 412.490 3.568 20 5 HHBDLO COCc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000467122059 992436499 /nfs/dbraw/zinc/43/64/99/992436499.db2.gz JKARXSHHTDNVEW-GUYCJALGSA-N 1 2 403.435 3.507 20 5 HHBDLO COCc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000467122059 992436501 /nfs/dbraw/zinc/43/65/01/992436501.db2.gz JKARXSHHTDNVEW-GUYCJALGSA-N 1 2 403.435 3.507 20 5 HHBDLO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1nc(C(F)(F)F)cs1 ZINC000472478306 993480103 /nfs/dbraw/zinc/48/01/03/993480103.db2.gz PSZHLEHXKVDQPY-UHFFFAOYSA-N 1 2 416.381 3.500 20 5 HHBDLO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1nc(C(F)(F)F)cs1 ZINC000472478306 993480108 /nfs/dbraw/zinc/48/01/08/993480108.db2.gz PSZHLEHXKVDQPY-UHFFFAOYSA-N 1 2 416.381 3.500 20 5 HHBDLO Cc1c(NC(=O)CC[N@@H+](C)Cc2nc(C(F)(F)F)cs2)cccc1[N+](=O)[O-] ZINC000472486190 993488464 /nfs/dbraw/zinc/48/84/64/993488464.db2.gz NMJMNIFIEWYFLV-UHFFFAOYSA-N 1 2 402.398 3.839 20 5 HHBDLO Cc1c(NC(=O)CC[N@H+](C)Cc2nc(C(F)(F)F)cs2)cccc1[N+](=O)[O-] ZINC000472486190 993488467 /nfs/dbraw/zinc/48/84/67/993488467.db2.gz NMJMNIFIEWYFLV-UHFFFAOYSA-N 1 2 402.398 3.839 20 5 HHBDLO COC(=O)COc1ccc(C[NH2+][C@@H](c2cccc(C)c2)c2ccccn2)cc1[N+](=O)[O-] ZINC000473986950 994973798 /nfs/dbraw/zinc/97/37/98/994973798.db2.gz KTZHPWKEBGJLAB-QHCPKHFHSA-N 1 2 421.453 3.729 20 5 HHBDLO CC1(C)C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@]2(CCCOC2)O1 ZINC000482456098 995457273 /nfs/dbraw/zinc/45/72/73/995457273.db2.gz HMUUELJYLCOIIF-FQEVSTJZSA-N 1 2 403.504 3.878 20 5 HHBDLO CC1(C)C[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@]2(CCCOC2)O1 ZINC000482456098 995457279 /nfs/dbraw/zinc/45/72/79/995457279.db2.gz HMUUELJYLCOIIF-FQEVSTJZSA-N 1 2 403.504 3.878 20 5 HHBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000482699873 995690029 /nfs/dbraw/zinc/69/00/29/995690029.db2.gz ONKJYQPYNPCEJF-SJLPKXTDSA-N 1 2 407.257 3.868 20 5 HHBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000482699873 995690033 /nfs/dbraw/zinc/69/00/33/995690033.db2.gz ONKJYQPYNPCEJF-SJLPKXTDSA-N 1 2 407.257 3.868 20 5 HHBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000475222304 996006466 /nfs/dbraw/zinc/00/64/66/996006466.db2.gz CKCAQDFXMDMHBN-CYBMUJFWSA-N 1 2 423.395 3.919 20 5 HHBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000475222305 996006673 /nfs/dbraw/zinc/00/66/73/996006673.db2.gz CKCAQDFXMDMHBN-ZDUSSCGKSA-N 1 2 423.395 3.919 20 5 HHBDLO COc1ccc(-c2ccc(C[N@@H+]3CCSC[C@@H]3c3cnn(C)c3)o2)c([N+](=O)[O-])c1 ZINC000483419239 996165977 /nfs/dbraw/zinc/16/59/77/996165977.db2.gz HTTGCORRUWQIRI-LJQANCHMSA-N 1 2 414.487 3.887 20 5 HHBDLO COc1ccc(-c2ccc(C[N@H+]3CCSC[C@@H]3c3cnn(C)c3)o2)c([N+](=O)[O-])c1 ZINC000483419239 996165983 /nfs/dbraw/zinc/16/59/83/996165983.db2.gz HTTGCORRUWQIRI-LJQANCHMSA-N 1 2 414.487 3.887 20 5 HHBDLO COC(=O)COc1ccc(C[N@H+](C)[C@H](C)c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000475562753 996220702 /nfs/dbraw/zinc/22/07/02/996220702.db2.gz HGVDLERYTLVPLY-CYBMUJFWSA-N 1 2 415.471 3.949 20 5 HHBDLO COC(=O)COc1ccc(C[N@@H+](C)[C@H](C)c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000475562753 996220707 /nfs/dbraw/zinc/22/07/07/996220707.db2.gz HGVDLERYTLVPLY-CYBMUJFWSA-N 1 2 415.471 3.949 20 5 HHBDLO Cc1cc(N2CCN(C(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC2)nc(C(C)C)[nH+]1 ZINC000475564961 996221653 /nfs/dbraw/zinc/22/16/53/996221653.db2.gz ZNWCGWWWFJFKFG-UHFFFAOYSA-N 1 2 412.494 3.788 20 5 HHBDLO C[C@H](Nc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000475714545 996317873 /nfs/dbraw/zinc/31/78/73/996317873.db2.gz IRHMLUSPAKEUNY-HNNXBMFYSA-N 1 2 416.441 3.741 20 5 HHBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000476124374 996615780 /nfs/dbraw/zinc/61/57/80/996615780.db2.gz YORMXRXGJUOCCC-LJQANCHMSA-N 1 2 418.425 3.805 20 5 HHBDLO Cc1cc(N2CCN(C(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000477208620 997880494 /nfs/dbraw/zinc/88/04/94/997880494.db2.gz QJIVPNUOQSOWFB-UHFFFAOYSA-N 1 2 417.897 3.741 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485723491 998194005 /nfs/dbraw/zinc/19/40/05/998194005.db2.gz OUQQHBLIDFTHEX-OALUTQOASA-N 1 2 403.429 3.712 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485723491 998194011 /nfs/dbraw/zinc/19/40/11/998194011.db2.gz OUQQHBLIDFTHEX-OALUTQOASA-N 1 2 403.429 3.712 20 5 HHBDLO CCS[C@@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000485976072 998418155 /nfs/dbraw/zinc/41/81/55/998418155.db2.gz GOAKGPPBKFHTEG-ZDUSSCGKSA-N 1 2 407.496 3.561 20 5 HHBDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000485976072 998418160 /nfs/dbraw/zinc/41/81/60/998418160.db2.gz GOAKGPPBKFHTEG-ZDUSSCGKSA-N 1 2 407.496 3.561 20 5 HHBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000486428793 998762904 /nfs/dbraw/zinc/76/29/04/998762904.db2.gz AKBKIOMBYFECDP-KRWDZBQOSA-N 1 2 406.442 3.537 20 5 HHBDLO COc1cc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000478675445 999082976 /nfs/dbraw/zinc/08/29/76/999082976.db2.gz IPIVETHLNPRDSJ-HUUCEWRRSA-N 1 2 413.474 3.773 20 5 HHBDLO C[C@@H]1CCCN(c2ccc(C(=O)NC3CCN(c4cccc[nH+]4)CC3)cc2[N+](=O)[O-])C1 ZINC000478776084 999134950 /nfs/dbraw/zinc/13/49/50/999134950.db2.gz LTLPTZCBLYGQCF-QGZVFWFLSA-N 1 2 423.517 3.625 20 5 HHBDLO C[C@@H]([NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000479357729 999402092 /nfs/dbraw/zinc/40/20/92/999402092.db2.gz IZSWFKZNXKTVMA-NXEZZACHSA-N 1 2 418.302 3.961 20 5 HHBDLO COc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc([N+](=O)[O-])c1C ZINC000479635297 999512791 /nfs/dbraw/zinc/51/27/91/999512791.db2.gz KLUAYQCVNQDBBZ-GFCCVEGCSA-N 1 2 404.492 3.853 20 5 HHBDLO COc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc([N+](=O)[O-])c1C ZINC000479635297 999512795 /nfs/dbraw/zinc/51/27/95/999512795.db2.gz KLUAYQCVNQDBBZ-GFCCVEGCSA-N 1 2 404.492 3.853 20 5 HHBDLO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@@H](C)O1 ZINC000479726196 999557708 /nfs/dbraw/zinc/55/77/08/999557708.db2.gz GTVQEXBTIPWTPQ-CPUCHLNUSA-N 1 2 403.504 3.523 20 5 HHBDLO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488793929 999610113 /nfs/dbraw/zinc/61/01/13/999610113.db2.gz JBHXXDHUVCGCIE-LLVKDONJSA-N 1 2 412.277 3.762 20 5 HHBDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)no1 ZINC000480234740 999752593 /nfs/dbraw/zinc/75/25/93/999752593.db2.gz XOPWBXWUKTXFQK-SFHVURJKSA-N 1 2 422.489 3.839 20 5 HHBDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)no1 ZINC000480234740 999752597 /nfs/dbraw/zinc/75/25/97/999752597.db2.gz XOPWBXWUKTXFQK-SFHVURJKSA-N 1 2 422.489 3.839 20 5 HHBDLO COc1cc(C[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000489967236 999870329 /nfs/dbraw/zinc/87/03/29/999870329.db2.gz SQKAEPLAJCWYLT-UHFFFAOYSA-N 1 2 418.881 3.997 20 5 HHBDLO COc1cc(C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000489967236 999870330 /nfs/dbraw/zinc/87/03/30/999870330.db2.gz SQKAEPLAJCWYLT-UHFFFAOYSA-N 1 2 418.881 3.997 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000490054555 999886092 /nfs/dbraw/zinc/88/60/92/999886092.db2.gz CPZIXVAVWQIXPD-RKDXNWHRSA-N 1 2 418.397 3.757 20 5 HHBDLO COc1ccc([C@@H](NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C2CC2)cc1 ZINC000490823296 1000012182 /nfs/dbraw/zinc/01/21/82/1000012182.db2.gz FCKGOWBXYBISEK-QHCPKHFHSA-N 1 2 409.486 3.835 20 5 HHBDLO COc1ccc([C@@H](NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C2CC2)cc1 ZINC000490823296 1000012184 /nfs/dbraw/zinc/01/21/84/1000012184.db2.gz FCKGOWBXYBISEK-QHCPKHFHSA-N 1 2 409.486 3.835 20 5 HHBDLO Cc1cc([C@@H]2C[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CCO2)ccc1F ZINC000491106578 1000046028 /nfs/dbraw/zinc/04/60/28/1000046028.db2.gz ANZZMZFOLGAQAB-FQEVSTJZSA-N 1 2 401.438 3.753 20 5 HHBDLO Cc1cc([C@@H]2C[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CCO2)ccc1F ZINC000491106578 1000046029 /nfs/dbraw/zinc/04/60/29/1000046029.db2.gz ANZZMZFOLGAQAB-FQEVSTJZSA-N 1 2 401.438 3.753 20 5 HHBDLO COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)ccc1[N+](=O)[O-] ZINC000492851294 1000146747 /nfs/dbraw/zinc/14/67/47/1000146747.db2.gz JTBAVPHDMPMWGS-QGZVFWFLSA-N 1 2 409.442 3.744 20 5 HHBDLO COc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)ccc1[N+](=O)[O-] ZINC000492851294 1000146748 /nfs/dbraw/zinc/14/67/48/1000146748.db2.gz JTBAVPHDMPMWGS-QGZVFWFLSA-N 1 2 409.442 3.744 20 5 HHBDLO CCOc1cc(C[N@H+](CCO)Cc2ccc(Br)s2)ccc1[N+](=O)[O-] ZINC000493706274 1000186989 /nfs/dbraw/zinc/18/69/89/1000186989.db2.gz LCFPTVWHNSJIHC-UHFFFAOYSA-N 1 2 415.309 3.812 20 5 HHBDLO CCOc1cc(C[N@@H+](CCO)Cc2ccc(Br)s2)ccc1[N+](=O)[O-] ZINC000493706274 1000186990 /nfs/dbraw/zinc/18/69/90/1000186990.db2.gz LCFPTVWHNSJIHC-UHFFFAOYSA-N 1 2 415.309 3.812 20 5 HHBDLO C[N@@H+](Cc1ccccc1N1CCOCC1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000506126298 1001236203 /nfs/dbraw/zinc/23/62/03/1001236203.db2.gz RWABFPUTSDZPTN-UHFFFAOYSA-N 1 2 407.417 3.665 20 5 HHBDLO C[N@H+](Cc1ccccc1N1CCOCC1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000506126298 1001236204 /nfs/dbraw/zinc/23/62/04/1001236204.db2.gz RWABFPUTSDZPTN-UHFFFAOYSA-N 1 2 407.417 3.665 20 5 HHBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(OC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000497397278 1001335780 /nfs/dbraw/zinc/33/57/80/1001335780.db2.gz NSKQIXCSRSQBIT-UHFFFAOYSA-N 1 2 405.495 3.746 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)[C@@H]1c1ccc(F)c(F)c1 ZINC000497488432 1001395550 /nfs/dbraw/zinc/39/55/50/1001395550.db2.gz MVYLZCNDWULILN-APWZRJJASA-N 1 2 400.385 3.530 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)[C@@H]1c1ccc(F)c(F)c1 ZINC000497488432 1001395553 /nfs/dbraw/zinc/39/55/53/1001395553.db2.gz MVYLZCNDWULILN-APWZRJJASA-N 1 2 400.385 3.530 20 5 HHBDLO C[N@H+](CC(=O)NC(C)(C)C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000506711956 1001502175 /nfs/dbraw/zinc/50/21/75/1001502175.db2.gz VRDLEYKWIPXLAQ-UHFFFAOYSA-N 1 2 424.295 3.964 20 5 HHBDLO C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000506711956 1001502177 /nfs/dbraw/zinc/50/21/77/1001502177.db2.gz VRDLEYKWIPXLAQ-UHFFFAOYSA-N 1 2 424.295 3.964 20 5 HHBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000506791171 1001531947 /nfs/dbraw/zinc/53/19/47/1001531947.db2.gz XECHVJJYUMCFDY-UHFFFAOYSA-N 1 2 405.380 3.584 20 5 HHBDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000507354590 1002018221 /nfs/dbraw/zinc/01/82/21/1002018221.db2.gz BGUQBHNZTXWMKR-OALUTQOASA-N 1 2 405.401 3.532 20 5 HHBDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000507354590 1002018211 /nfs/dbraw/zinc/01/82/11/1002018211.db2.gz BGUQBHNZTXWMKR-OALUTQOASA-N 1 2 405.401 3.532 20 5 HHBDLO CC(=O)N1CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC12CCCCC2 ZINC000498905217 1002299058 /nfs/dbraw/zinc/29/90/58/1002299058.db2.gz OCUQKBZLBOUHHO-OAHLLOKOSA-N 1 2 413.478 3.573 20 5 HHBDLO CC(=O)N1CC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC12CCCCC2 ZINC000498905217 1002299068 /nfs/dbraw/zinc/29/90/68/1002299068.db2.gz OCUQKBZLBOUHHO-OAHLLOKOSA-N 1 2 413.478 3.573 20 5 HHBDLO O=C(c1ccccn1)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000508015802 1002540174 /nfs/dbraw/zinc/54/01/74/1002540174.db2.gz OHQILBLHRRMLAY-UHFFFAOYSA-N 1 2 408.483 3.676 20 5 HHBDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000508354738 1002854969 /nfs/dbraw/zinc/85/49/69/1002854969.db2.gz NIKYRMNYFAUYDF-UHFFFAOYSA-N 1 2 413.455 3.535 20 5 HHBDLO COC(=O)c1ccc(C[N@H+](C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 ZINC000509390863 1003820264 /nfs/dbraw/zinc/82/02/64/1003820264.db2.gz WTMVVCGCBXNLRI-UHFFFAOYSA-N 1 2 410.373 3.623 20 5 HHBDLO COC(=O)c1ccc(C[N@@H+](C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 ZINC000509390863 1003820276 /nfs/dbraw/zinc/82/02/76/1003820276.db2.gz WTMVVCGCBXNLRI-UHFFFAOYSA-N 1 2 410.373 3.623 20 5 HHBDLO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000509520552 1003920731 /nfs/dbraw/zinc/92/07/31/1003920731.db2.gz DFEHJQKQNMCLDM-MRXNPFEDSA-N 1 2 423.560 3.772 20 5 HHBDLO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000509520552 1003920740 /nfs/dbraw/zinc/92/07/40/1003920740.db2.gz DFEHJQKQNMCLDM-MRXNPFEDSA-N 1 2 423.560 3.772 20 5 HHBDLO O=[N+]([O-])c1ccc2c(c1)[nH]cc2-c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000500798536 1003963745 /nfs/dbraw/zinc/96/37/45/1003963745.db2.gz DRENUDALRIZRGE-LJQANCHMSA-N 1 2 405.414 3.700 20 5 HHBDLO O=[N+]([O-])c1ccc2c(c1)[nH]cc2-c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000500798536 1003963754 /nfs/dbraw/zinc/96/37/54/1003963754.db2.gz DRENUDALRIZRGE-LJQANCHMSA-N 1 2 405.414 3.700 20 5 HHBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)C1 ZINC000500897618 1004036746 /nfs/dbraw/zinc/03/67/46/1004036746.db2.gz YYPONFCRKOGLOQ-HNNXBMFYSA-N 1 2 401.448 3.550 20 5 HHBDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)C1 ZINC000500897618 1004036754 /nfs/dbraw/zinc/03/67/54/1004036754.db2.gz YYPONFCRKOGLOQ-HNNXBMFYSA-N 1 2 401.448 3.550 20 5 HHBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000501295245 1004337122 /nfs/dbraw/zinc/33/71/22/1004337122.db2.gz MBCBMTGVQAZNAL-HNNXBMFYSA-N 1 2 400.504 3.777 20 5 HHBDLO COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000510195717 1004389229 /nfs/dbraw/zinc/38/92/29/1004389229.db2.gz UXBHXJYAIKDSLS-OXQOHEQNSA-N 1 2 418.515 3.850 20 5 HHBDLO COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000510195717 1004389238 /nfs/dbraw/zinc/38/92/38/1004389238.db2.gz UXBHXJYAIKDSLS-OXQOHEQNSA-N 1 2 418.515 3.850 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000501428558 1004415479 /nfs/dbraw/zinc/41/54/79/1004415479.db2.gz XRNQRYCXUWVWGS-KRWDZBQOSA-N 1 2 409.280 3.921 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000501428558 1004415482 /nfs/dbraw/zinc/41/54/82/1004415482.db2.gz XRNQRYCXUWVWGS-KRWDZBQOSA-N 1 2 409.280 3.921 20 5 HHBDLO Cc1ccc(Sc2ccc(C[N@@H+]3CCCN(C(N)=O)CC3)cc2[N+](=O)[O-])cc1 ZINC000512605143 1004419933 /nfs/dbraw/zinc/41/99/33/1004419933.db2.gz WLQIFODNURCZDH-UHFFFAOYSA-N 1 2 400.504 3.641 20 5 HHBDLO Cc1ccc(Sc2ccc(C[N@H+]3CCCN(C(N)=O)CC3)cc2[N+](=O)[O-])cc1 ZINC000512605143 1004419940 /nfs/dbraw/zinc/41/99/40/1004419940.db2.gz WLQIFODNURCZDH-UHFFFAOYSA-N 1 2 400.504 3.641 20 5 HHBDLO C[C@@]1(O)CCC[N@@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000501776738 1004715511 /nfs/dbraw/zinc/71/55/11/1004715511.db2.gz RNUIVLSGXKQTKJ-AZUAARDMSA-N 1 2 403.866 3.775 20 5 HHBDLO C[C@@]1(O)CCC[N@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000501776738 1004715517 /nfs/dbraw/zinc/71/55/17/1004715517.db2.gz RNUIVLSGXKQTKJ-AZUAARDMSA-N 1 2 403.866 3.775 20 5 HHBDLO C[C@]1(O)CCC[N@@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000501776740 1004716196 /nfs/dbraw/zinc/71/61/96/1004716196.db2.gz RNUIVLSGXKQTKJ-QUCCMNQESA-N 1 2 403.866 3.775 20 5 HHBDLO C[C@]1(O)CCC[N@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000501776740 1004716203 /nfs/dbraw/zinc/71/62/03/1004716203.db2.gz RNUIVLSGXKQTKJ-QUCCMNQESA-N 1 2 403.866 3.775 20 5 HHBDLO COc1cccc([C@H]2[C@H](NCc3c(F)cc([N+](=O)[O-])cc3F)CC[N@@H+]2C2CC2)c1 ZINC000510642119 1004773203 /nfs/dbraw/zinc/77/32/03/1004773203.db2.gz YTWYOXYHBMJEDK-RTWAWAEBSA-N 1 2 403.429 3.949 20 5 HHBDLO COc1cccc([C@H]2[C@H](NCc3c(F)cc([N+](=O)[O-])cc3F)CC[N@H+]2C2CC2)c1 ZINC000510642119 1004773208 /nfs/dbraw/zinc/77/32/08/1004773208.db2.gz YTWYOXYHBMJEDK-RTWAWAEBSA-N 1 2 403.429 3.949 20 5 HHBDLO O=C(c1cccc(O)c1)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000513116753 1004815627 /nfs/dbraw/zinc/81/56/27/1004815627.db2.gz KRUGIPZNERZMGU-UHFFFAOYSA-N 1 2 407.426 3.518 20 5 HHBDLO O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000501962418 1004832691 /nfs/dbraw/zinc/83/26/91/1004832691.db2.gz POMYDZCJJZOSIC-UHFFFAOYSA-N 1 2 402.454 3.615 20 5 HHBDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000513151401 1004833223 /nfs/dbraw/zinc/83/32/23/1004833223.db2.gz XIUBVYAPVPZBCZ-UHFFFAOYSA-N 1 2 402.447 3.566 20 5 HHBDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000513151401 1004833225 /nfs/dbraw/zinc/83/32/25/1004833225.db2.gz XIUBVYAPVPZBCZ-UHFFFAOYSA-N 1 2 402.447 3.566 20 5 HHBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000510843469 1004886840 /nfs/dbraw/zinc/88/68/40/1004886840.db2.gz NKSCUZXSPZGTOW-UHFFFAOYSA-N 1 2 417.372 3.763 20 5 HHBDLO COc1cccc([C@@H]2C[N@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000513410560 1004951094 /nfs/dbraw/zinc/95/10/94/1004951094.db2.gz DLAYSIMEHCEKLG-NRFANRHFSA-N 1 2 408.458 3.577 20 5 HHBDLO COc1cccc([C@@H]2C[N@@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000513410560 1004951099 /nfs/dbraw/zinc/95/10/99/1004951099.db2.gz DLAYSIMEHCEKLG-NRFANRHFSA-N 1 2 408.458 3.577 20 5 HHBDLO COC1(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)CCC1 ZINC000513675699 1005077936 /nfs/dbraw/zinc/07/79/36/1005077936.db2.gz VOYPLPQXGVPIAI-UHFFFAOYSA-N 1 2 415.515 3.537 20 5 HHBDLO C[N@@H+]1CC[C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502853097 1005244410 /nfs/dbraw/zinc/24/44/10/1005244410.db2.gz QRYAZECXHYNVFR-XIKOKIGWSA-N 1 2 407.829 3.516 20 5 HHBDLO C[N@H+]1CC[C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502853097 1005244413 /nfs/dbraw/zinc/24/44/13/1005244413.db2.gz QRYAZECXHYNVFR-XIKOKIGWSA-N 1 2 407.829 3.516 20 5 HHBDLO CN(C)[C@@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000514099184 1005264793 /nfs/dbraw/zinc/26/47/93/1005264793.db2.gz MAHVIXRDXPOQQS-PMACEKPBSA-N 1 2 413.909 3.964 20 5 HHBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000511785057 1005326883 /nfs/dbraw/zinc/32/68/83/1005326883.db2.gz MFZPVROUYOYDGL-VQTJNVASSA-N 1 2 418.444 3.502 20 5 HHBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000511785057 1005326885 /nfs/dbraw/zinc/32/68/85/1005326885.db2.gz MFZPVROUYOYDGL-VQTJNVASSA-N 1 2 418.444 3.502 20 5 HHBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000503638100 1005470691 /nfs/dbraw/zinc/47/06/91/1005470691.db2.gz RIWYVJXYZGMLMY-UHFFFAOYSA-N 1 2 416.503 3.889 20 5 HHBDLO O=C(c1ccc([N+](=O)[O-])cn1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000531627921 1006315155 /nfs/dbraw/zinc/31/51/55/1006315155.db2.gz VKTQPAPTLAKCNG-UHFFFAOYSA-N 1 2 417.828 3.712 20 5 HHBDLO C[C@H](Nc1ccc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000534467420 1006452679 /nfs/dbraw/zinc/45/26/79/1006452679.db2.gz JKINYWSBSGNDHC-DOTOQJQBSA-N 1 2 420.473 3.526 20 5 HHBDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000531868652 1006487805 /nfs/dbraw/zinc/48/78/05/1006487805.db2.gz UINMAERVCYDYAD-AWEZNQCLSA-N 1 2 402.451 3.589 20 5 HHBDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000531868652 1006487815 /nfs/dbraw/zinc/48/78/15/1006487815.db2.gz UINMAERVCYDYAD-AWEZNQCLSA-N 1 2 402.451 3.589 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000538665949 1006950457 /nfs/dbraw/zinc/95/04/57/1006950457.db2.gz WVPONJUZJAWAQV-QGZVFWFLSA-N 1 2 420.473 3.506 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000538665949 1006950466 /nfs/dbraw/zinc/95/04/66/1006950466.db2.gz WVPONJUZJAWAQV-QGZVFWFLSA-N 1 2 420.473 3.506 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000532644448 1007063478 /nfs/dbraw/zinc/06/34/78/1007063478.db2.gz RKFMMKMPYMJQAJ-CQSZACIVSA-N 1 2 421.457 3.596 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000532644448 1007063489 /nfs/dbraw/zinc/06/34/89/1007063489.db2.gz RKFMMKMPYMJQAJ-CQSZACIVSA-N 1 2 421.457 3.596 20 5 HHBDLO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000532753308 1007161537 /nfs/dbraw/zinc/16/15/37/1007161537.db2.gz AYCARGRDGVYLSK-CQSZACIVSA-N 1 2 420.307 3.836 20 5 HHBDLO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000532753308 1007161542 /nfs/dbraw/zinc/16/15/42/1007161542.db2.gz AYCARGRDGVYLSK-CQSZACIVSA-N 1 2 420.307 3.836 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535130796 1007168362 /nfs/dbraw/zinc/16/83/62/1007168362.db2.gz OGZGWWVZDSQTBO-UZLBHIALSA-N 1 2 421.856 3.718 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535130796 1007168372 /nfs/dbraw/zinc/16/83/72/1007168372.db2.gz OGZGWWVZDSQTBO-UZLBHIALSA-N 1 2 421.856 3.718 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(OC3CCC(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000532960957 1007330190 /nfs/dbraw/zinc/33/01/90/1007330190.db2.gz SVTWISXEPKJRED-AQFXKWCLSA-N 1 2 419.522 3.990 20 5 HHBDLO Cc1csc(C(C)(C)[NH2+]CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 ZINC000533061800 1007424900 /nfs/dbraw/zinc/42/49/00/1007424900.db2.gz XPBBOKKIWXPRKJ-UHFFFAOYSA-N 1 2 417.516 3.947 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@H+](C)[C@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])c1 ZINC000533063474 1007426024 /nfs/dbraw/zinc/42/60/24/1007426024.db2.gz HGBFGAUZHHUKCJ-INIZCTEOSA-N 1 2 404.492 3.706 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])c1 ZINC000533063474 1007426030 /nfs/dbraw/zinc/42/60/30/1007426030.db2.gz HGBFGAUZHHUKCJ-INIZCTEOSA-N 1 2 404.492 3.706 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539216983 1007507493 /nfs/dbraw/zinc/50/74/93/1007507493.db2.gz ZAFRETRSSRNGCE-AZUAARDMSA-N 1 2 421.856 3.718 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539216983 1007507500 /nfs/dbraw/zinc/50/75/00/1007507500.db2.gz ZAFRETRSSRNGCE-AZUAARDMSA-N 1 2 421.856 3.718 20 5 HHBDLO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1c(F)cccc1F ZINC000539233789 1007527217 /nfs/dbraw/zinc/52/72/17/1007527217.db2.gz NCSCBFBUBUMPTL-VIFPVBQESA-N 1 2 414.206 3.925 20 5 HHBDLO COc1ccc(NC(=O)C[NH+]2CCC(Cc3ccccc3OC)CC2)c([N+](=O)[O-])c1 ZINC000533264567 1007581124 /nfs/dbraw/zinc/58/11/24/1007581124.db2.gz OKVRYMBRRFQUQE-UHFFFAOYSA-N 1 2 413.474 3.505 20 5 HHBDLO COc1ccccc1C[NH+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000533274537 1007587754 /nfs/dbraw/zinc/58/77/54/1007587754.db2.gz XJOBAGZSKGAQQB-UHFFFAOYSA-N 1 2 422.485 3.619 20 5 HHBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3c(Cl)cccc3N3CCCC3)CC2)cn1 ZINC000539409883 1007717364 /nfs/dbraw/zinc/71/73/64/1007717364.db2.gz IULGKMFKLOJZKV-UHFFFAOYSA-N 1 2 401.898 3.566 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000533629024 1007933190 /nfs/dbraw/zinc/93/31/90/1007933190.db2.gz UGEJQVKBZHHVJX-FUHWJXTLSA-N 1 2 406.845 3.632 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000533629024 1007933201 /nfs/dbraw/zinc/93/32/01/1007933201.db2.gz UGEJQVKBZHHVJX-FUHWJXTLSA-N 1 2 406.845 3.632 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540226171 1008343532 /nfs/dbraw/zinc/34/35/32/1008343532.db2.gz SOHHGSXTFZJXQV-YOEHRIQHSA-N 1 2 423.876 3.799 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540226171 1008343534 /nfs/dbraw/zinc/34/35/34/1008343534.db2.gz SOHHGSXTFZJXQV-YOEHRIQHSA-N 1 2 423.876 3.799 20 5 HHBDLO C[C@H](c1nnc(Sc2ncc([N+](=O)[O-])cn2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000545484324 1008589303 /nfs/dbraw/zinc/58/93/03/1008589303.db2.gz RERDSJPMGWALLF-CQSZACIVSA-N 1 2 411.491 3.664 20 5 HHBDLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cs1 ZINC000543503544 1009093297 /nfs/dbraw/zinc/09/32/97/1009093297.db2.gz CCQRALRZIFGYSB-VIFPVBQESA-N 1 2 413.297 3.666 20 5 HHBDLO O=[N+]([O-])c1ccccc1NCCc1noc(/C=C\c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000546376842 1009384907 /nfs/dbraw/zinc/38/49/07/1009384907.db2.gz PERKLDSJXMMEDQ-YFHOEESVSA-N 1 2 402.414 3.989 20 5 HHBDLO O=C(CN1CCC(CCCn2cc[nH+]c2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000543989292 1009587575 /nfs/dbraw/zinc/58/75/75/1009587575.db2.gz CHAIDVMIGFDSNE-UHFFFAOYSA-N 1 2 405.886 3.576 20 5 HHBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000550018655 1009617680 /nfs/dbraw/zinc/61/76/80/1009617680.db2.gz PXHFNVPRVIULTP-UHFFFAOYSA-N 1 2 408.311 3.868 20 5 HHBDLO COc1ccc([C@@H]2CCCCC[N@@H+]2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000544069704 1009672832 /nfs/dbraw/zinc/67/28/32/1009672832.db2.gz LWHWLLSAHMDXOD-NRFANRHFSA-N 1 2 418.515 3.994 20 5 HHBDLO COc1ccc([C@@H]2CCCCC[N@H+]2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000544069704 1009672841 /nfs/dbraw/zinc/67/28/41/1009672841.db2.gz LWHWLLSAHMDXOD-NRFANRHFSA-N 1 2 418.515 3.994 20 5 HHBDLO CC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1nc(C(F)(F)F)cs1 ZINC000544457454 1010081464 /nfs/dbraw/zinc/08/14/64/1010081464.db2.gz ZQRIJLGLSRVARS-GFCCVEGCSA-N 1 2 414.409 3.700 20 5 HHBDLO CC[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000544458668 1010082433 /nfs/dbraw/zinc/08/24/33/1010082433.db2.gz RHQLTXNPHMQNJV-GFCCVEGCSA-N 1 2 402.398 3.774 20 5 HHBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000521448595 1010379374 /nfs/dbraw/zinc/37/93/74/1010379374.db2.gz NAJLNAYTTOFNGS-MRXNPFEDSA-N 1 2 410.449 3.594 20 5 HHBDLO COc1cc(C[NH2+]C(C)(C)c2nc(C)no2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000551569790 1010668000 /nfs/dbraw/zinc/66/80/00/1010668000.db2.gz OHUKYBPWPCOTHT-UHFFFAOYSA-N 1 2 412.446 3.899 20 5 HHBDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC[C@@H](C)CC)cc2[N+](=O)[O-])C1 ZINC000522026752 1010763233 /nfs/dbraw/zinc/76/32/33/1010763233.db2.gz JBIRFSUYEXLYSE-DOTOQJQBSA-N 1 2 407.511 3.519 20 5 HHBDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC[C@@H](C)CC)cc2[N+](=O)[O-])C1 ZINC000522026752 1010763239 /nfs/dbraw/zinc/76/32/39/1010763239.db2.gz JBIRFSUYEXLYSE-DOTOQJQBSA-N 1 2 407.511 3.519 20 5 HHBDLO C[C@H]1CCCN(c2ccc(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)cc2[N+](=O)[O-])C1 ZINC000522375274 1010966137 /nfs/dbraw/zinc/96/61/37/1010966137.db2.gz LWWGRCXFJZPYNH-KRWDZBQOSA-N 1 2 419.485 3.947 20 5 HHBDLO C[C@@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000522709773 1011171319 /nfs/dbraw/zinc/17/13/19/1011171319.db2.gz YLCYNCQOVCZBFU-HZPDHXFCSA-N 1 2 414.462 3.618 20 5 HHBDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540799856 1011461872 /nfs/dbraw/zinc/46/18/72/1011461872.db2.gz CXGBGORNSZSZBK-FUHWJXTLSA-N 1 2 406.845 3.736 20 5 HHBDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540799856 1011461883 /nfs/dbraw/zinc/46/18/83/1011461883.db2.gz CXGBGORNSZSZBK-FUHWJXTLSA-N 1 2 406.845 3.736 20 5 HHBDLO CCc1ccc(C[NH+]2CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)CC2)s1 ZINC000523398678 1011878535 /nfs/dbraw/zinc/87/85/35/1011878535.db2.gz DQMOLDQMPXJWMM-UHFFFAOYSA-N 1 2 412.515 3.518 20 5 HHBDLO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)ccc2NC1=O ZINC000537155140 1012549836 /nfs/dbraw/zinc/54/98/36/1012549836.db2.gz XBCLMSLQANANMH-SJKOYZFVSA-N 1 2 423.429 3.605 20 5 HHBDLO C[C@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000537161385 1012560798 /nfs/dbraw/zinc/56/07/98/1012560798.db2.gz IQXUUKPNLLNEDN-RTPGUIODSA-N 1 2 400.460 3.794 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)o2)cc1 ZINC000542015524 1012903393 /nfs/dbraw/zinc/90/33/93/1012903393.db2.gz LSKYCRHRKVJMDO-AWEZNQCLSA-N 1 2 422.367 3.697 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)o2)cc1 ZINC000542015524 1012903401 /nfs/dbraw/zinc/90/34/01/1012903401.db2.gz LSKYCRHRKVJMDO-AWEZNQCLSA-N 1 2 422.367 3.697 20 5 HHBDLO O=[N+]([O-])c1ccc([C@@H]2C[C@H]2c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000904497313 1071792974 /nfs/dbraw/zinc/79/29/74/1071792974.db2.gz KUSGKIUWRXYQPU-VQTJNVASSA-N 1 2 406.442 3.748 20 5 HHBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000587971459 1072724173 /nfs/dbraw/zinc/72/41/73/1072724173.db2.gz UBKUUYUIANGTHS-WBVHZDCISA-N 1 2 419.547 3.565 20 5 HHBDLO CS(=O)(=O)c1cccc(NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000301860372 971089325 /nfs/dbraw/zinc/08/93/25/971089325.db2.gz DKVZQRRCRNYEEL-KRWDZBQOSA-N 1 2 423.922 3.901 20 5 HHBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000303785589 972026638 /nfs/dbraw/zinc/02/66/38/972026638.db2.gz UAUBQMCMJBCECV-UHFFFAOYSA-N 1 2 412.490 3.566 20 5 HHBDLO Cn1c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc2cc(C(F)(F)F)ccc21 ZINC000537633059 1013187140 /nfs/dbraw/zinc/18/71/40/1013187140.db2.gz FJPNRXLQHGPUKE-CYBMUJFWSA-N 1 2 420.395 3.582 20 5 HHBDLO Cn1c(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc2cc(C(F)(F)F)ccc21 ZINC000537633059 1013187145 /nfs/dbraw/zinc/18/71/45/1013187145.db2.gz FJPNRXLQHGPUKE-CYBMUJFWSA-N 1 2 420.395 3.582 20 5 HHBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2(c3c(Cl)cccc3Cl)CC2)cc1 ZINC000542254265 1013214842 /nfs/dbraw/zinc/21/48/42/1013214842.db2.gz RDMPPUIIQZZEQN-UHFFFAOYSA-N 1 2 415.298 3.954 20 5 HHBDLO COc1ccccc1COC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000537686355 1013249772 /nfs/dbraw/zinc/24/97/72/1013249772.db2.gz YTHKLGNEFVXHPD-UHFFFAOYSA-N 1 2 413.474 3.532 20 5 HHBDLO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000017307858 963183460 /nfs/dbraw/zinc/18/34/60/963183460.db2.gz LEKSHCDRBRNUMC-AWEZNQCLSA-N 1 2 409.895 3.929 20 5 HHBDLO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000017307858 963183465 /nfs/dbraw/zinc/18/34/65/963183465.db2.gz LEKSHCDRBRNUMC-AWEZNQCLSA-N 1 2 409.895 3.929 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000542455072 1013402691 /nfs/dbraw/zinc/40/26/91/1013402691.db2.gz ONIWLQVCFUGJDG-TZIWHRDSSA-N 1 2 421.457 3.528 20 5 HHBDLO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000050256053 964296775 /nfs/dbraw/zinc/29/67/75/964296775.db2.gz VXHNIFAMGDWZTJ-UHFFFAOYSA-N 1 2 408.483 3.676 20 5 HHBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050561930 964354250 /nfs/dbraw/zinc/35/42/50/964354250.db2.gz SUBBHLJQBAREII-UHFFFAOYSA-N 1 2 419.466 3.893 20 5 HHBDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050605071 964362190 /nfs/dbraw/zinc/36/21/90/964362190.db2.gz PAOKDZOEPSUDCY-UHFFFAOYSA-N 1 2 414.512 3.568 20 5 HHBDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050605071 964362193 /nfs/dbraw/zinc/36/21/93/964362193.db2.gz PAOKDZOEPSUDCY-UHFFFAOYSA-N 1 2 414.512 3.568 20 5 HHBDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000053626338 965232400 /nfs/dbraw/zinc/23/24/00/965232400.db2.gz DCDPMVYZOVZTJX-UHFFFAOYSA-N 1 2 402.414 3.835 20 5 HHBDLO C[C@@H](c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000542708479 1013622474 /nfs/dbraw/zinc/62/24/74/1013622474.db2.gz ZCNYXWSOYWZVNS-CQSZACIVSA-N 1 2 412.421 3.768 20 5 HHBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000032163522 966198596 /nfs/dbraw/zinc/19/85/96/966198596.db2.gz HBOZGKGSHKBCPT-GFCCVEGCSA-N 1 2 402.357 3.873 20 5 HHBDLO O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032242474 966204375 /nfs/dbraw/zinc/20/43/75/966204375.db2.gz MVVGTZFKYLRBSS-UHFFFAOYSA-N 1 2 405.414 3.550 20 5 HHBDLO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(NC(=O)C2CC2)cc1 ZINC000538152340 1013713164 /nfs/dbraw/zinc/71/31/64/1013713164.db2.gz ZIEFCCDTWZHSAK-ZDUSSCGKSA-N 1 2 407.430 3.844 20 5 HHBDLO O=C(C[C@@H]1CCCO1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000046121336 967667302 /nfs/dbraw/zinc/66/73/02/967667302.db2.gz YLIIKKIFVLIXDG-INIZCTEOSA-N 1 2 415.515 3.537 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H](CO)c3ccc(Br)cc3)co2)cc1 ZINC000542909252 1013750408 /nfs/dbraw/zinc/75/04/08/1013750408.db2.gz IVWQLFQVIWCOHF-QGZVFWFLSA-N 1 2 418.247 3.836 20 5 HHBDLO O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000538263441 1013804966 /nfs/dbraw/zinc/80/49/66/1013804966.db2.gz VDWSRAUSQHRDJO-APWZRJJASA-N 1 2 412.833 3.694 20 5 HHBDLO CCCCOc1ccc(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000071930992 968894056 /nfs/dbraw/zinc/89/40/56/968894056.db2.gz YYMIDQGHVAGKPO-UHFFFAOYSA-N 1 2 408.458 3.932 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](Cc3cccs3)C[C@@H]3CCCO3)o2)cc1 ZINC000096954415 969062038 /nfs/dbraw/zinc/06/20/38/969062038.db2.gz SEVRXQBLJNQLEE-INIZCTEOSA-N 1 2 400.460 3.888 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](Cc3cccs3)C[C@@H]3CCCO3)o2)cc1 ZINC000096954415 969062047 /nfs/dbraw/zinc/06/20/47/969062047.db2.gz SEVRXQBLJNQLEE-INIZCTEOSA-N 1 2 400.460 3.888 20 5 HHBDLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000096954356 969062282 /nfs/dbraw/zinc/06/22/82/969062282.db2.gz OUKWCQOQHZCVKA-SFHVURJKSA-N 1 2 410.430 3.999 20 5 HHBDLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000096954356 969062285 /nfs/dbraw/zinc/06/22/85/969062285.db2.gz OUKWCQOQHZCVKA-SFHVURJKSA-N 1 2 410.430 3.999 20 5 HHBDLO Cc1cc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301093499 970744218 /nfs/dbraw/zinc/74/42/18/970744218.db2.gz ILCYMOCTKJAQCI-NRFANRHFSA-N 1 2 419.485 3.846 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426227139 974326537 /nfs/dbraw/zinc/32/65/37/974326537.db2.gz KHPXXJQAEFLVJA-UHFFFAOYSA-N 1 2 409.490 3.854 20 5 HHBDLO O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000426646401 974580926 /nfs/dbraw/zinc/58/09/26/974580926.db2.gz JDMQIKBGFKSDRW-UHFFFAOYSA-N 1 2 406.442 3.917 20 5 HHBDLO O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000426646401 974580933 /nfs/dbraw/zinc/58/09/33/974580933.db2.gz JDMQIKBGFKSDRW-UHFFFAOYSA-N 1 2 406.442 3.917 20 5 HHBDLO COc1ccc(F)cc1C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000428413865 975733001 /nfs/dbraw/zinc/73/30/01/975733001.db2.gz NMYIGZNNLQPZLA-UHFFFAOYSA-N 1 2 400.353 3.685 20 5 HHBDLO COc1cc(C[N@H+](C)CC(=O)NC(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000429380669 976653710 /nfs/dbraw/zinc/65/37/10/976653710.db2.gz CLEDDXMKZDQRNQ-UHFFFAOYSA-N 1 2 419.481 3.941 20 5 HHBDLO COc1cc(C[N@@H+](C)CC(=O)NC(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000429380669 976653721 /nfs/dbraw/zinc/65/37/21/976653721.db2.gz CLEDDXMKZDQRNQ-UHFFFAOYSA-N 1 2 419.481 3.941 20 5 HHBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430506923 977606501 /nfs/dbraw/zinc/60/65/01/977606501.db2.gz XWBDCDGSROPONE-AWEZNQCLSA-N 1 2 408.886 3.713 20 5 HHBDLO CSc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1[N+](=O)[O-] ZINC000433976042 979728179 /nfs/dbraw/zinc/72/81/79/979728179.db2.gz XBMHPIASSDLGLZ-UHFFFAOYSA-N 1 2 400.504 3.869 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(F)(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000434498288 980212617 /nfs/dbraw/zinc/21/26/17/980212617.db2.gz SIBUGJZEPKZSCC-OAHLLOKOSA-N 1 2 401.438 3.891 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000435334175 980792606 /nfs/dbraw/zinc/79/26/06/980792606.db2.gz XFVJOWZFSJUJDQ-LJQANCHMSA-N 1 2 401.438 3.662 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000435334175 980792611 /nfs/dbraw/zinc/79/26/11/980792611.db2.gz XFVJOWZFSJUJDQ-LJQANCHMSA-N 1 2 401.438 3.662 20 5 HHBDLO Cc1c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cnn1-c1ccccc1F ZINC000435371095 980820651 /nfs/dbraw/zinc/82/06/51/980820651.db2.gz SNHQMJBIXKFGOK-UHFFFAOYSA-N 1 2 406.377 3.666 20 5 HHBDLO C[NH+](C)[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccco1 ZINC000435815400 981042799 /nfs/dbraw/zinc/04/27/99/981042799.db2.gz FFIPTDHQCLKYAN-KRWDZBQOSA-N 1 2 411.408 3.585 20 5 HHBDLO COc1ccccc1[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[NH+](C)C ZINC000435837854 981054105 /nfs/dbraw/zinc/05/41/05/981054105.db2.gz WOYQBCNZWWXREP-JOCHJYFZSA-N 1 2 415.493 3.723 20 5 HHBDLO CCOc1cc(C[NH2+][C@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000435903747 981084562 /nfs/dbraw/zinc/08/45/62/981084562.db2.gz VWJABKZRBIVYPA-QRWLVFNGSA-N 1 2 406.504 3.566 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435935276 981101262 /nfs/dbraw/zinc/10/12/62/981101262.db2.gz JCOGHRUJTJJSNF-UHFFFAOYSA-N 1 2 416.456 3.746 20 5 HHBDLO CCC(CC)[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[NH+]1CCOCC1 ZINC000436084138 981192839 /nfs/dbraw/zinc/19/28/39/981192839.db2.gz QNCWBXGHPVASGG-HSZRJFAPSA-N 1 2 421.541 3.548 20 5 HHBDLO C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)Oc1ccccc1Cl ZINC000460424192 982212307 /nfs/dbraw/zinc/21/23/07/982212307.db2.gz JIYRSMCRXKWMMX-CYBMUJFWSA-N 1 2 400.822 3.631 20 5 HHBDLO Cc1ccc(C)c([C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)[C@@H](C)CO2)c1 ZINC000460557964 982343764 /nfs/dbraw/zinc/34/37/64/982343764.db2.gz YNRGNBSHPIAJME-HTAPYJJXSA-N 1 2 420.469 4.000 20 5 HHBDLO CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000460578439 982362580 /nfs/dbraw/zinc/36/25/80/982362580.db2.gz RXUGBAUBJVASPP-KVZIAJEVSA-N 1 2 412.490 3.980 20 5 HHBDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000439780460 983536110 /nfs/dbraw/zinc/53/61/10/983536110.db2.gz IWJXMRJHNRHRTP-RDTXWAMCSA-N 1 2 402.520 3.732 20 5 HHBDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000439780460 983536114 /nfs/dbraw/zinc/53/61/14/983536114.db2.gz IWJXMRJHNRHRTP-RDTXWAMCSA-N 1 2 402.520 3.732 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000439926018 983584843 /nfs/dbraw/zinc/58/48/43/983584843.db2.gz HLFXUIAXBYUPNY-VQIMIIECSA-N 1 2 420.416 3.839 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000439926018 983584844 /nfs/dbraw/zinc/58/48/44/983584844.db2.gz HLFXUIAXBYUPNY-VQIMIIECSA-N 1 2 420.416 3.839 20 5 HHBDLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440499832 983777302 /nfs/dbraw/zinc/77/73/02/983777302.db2.gz ASSQGSLKSAVLBP-DGCLKSJQSA-N 1 2 424.288 3.810 20 5 HHBDLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440499832 983777304 /nfs/dbraw/zinc/77/73/04/983777304.db2.gz ASSQGSLKSAVLBP-DGCLKSJQSA-N 1 2 424.288 3.810 20 5 HHBDLO CC1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440910741 983967070 /nfs/dbraw/zinc/96/70/70/983967070.db2.gz RUMFZOQRFVPJGW-ZWWNWMABSA-N 1 2 410.474 3.590 20 5 HHBDLO CCCN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000441428220 984246629 /nfs/dbraw/zinc/24/66/29/984246629.db2.gz JGQGAFZPYXMPDJ-UHFFFAOYSA-N 1 2 421.457 3.877 20 5 HHBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCNc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000441516514 984298497 /nfs/dbraw/zinc/29/84/97/984298497.db2.gz UKHMNOBLIADGBQ-FQEVSTJZSA-N 1 2 422.489 3.561 20 5 HHBDLO C[C@@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000442731006 985190970 /nfs/dbraw/zinc/19/09/70/985190970.db2.gz GUGOWHPDKFXKQO-HZPDHXFCSA-N 1 2 415.515 3.585 20 5 HHBDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CCO1 ZINC000442808305 985221920 /nfs/dbraw/zinc/22/19/20/985221920.db2.gz HCMZPOGNJDUPAP-INIZCTEOSA-N 1 2 415.515 3.587 20 5 HHBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CCO1 ZINC000442808305 985221931 /nfs/dbraw/zinc/22/19/31/985221931.db2.gz HCMZPOGNJDUPAP-INIZCTEOSA-N 1 2 415.515 3.587 20 5 HHBDLO O=C1[C@H]([N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000443646634 985838704 /nfs/dbraw/zinc/83/87/04/985838704.db2.gz WKEKNPQLZCFXOT-FUHWJXTLSA-N 1 2 401.850 3.507 20 5 HHBDLO O=C1[C@H]([N@H+]2CC[C@H](Oc3ccccc3Cl)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000443646634 985838723 /nfs/dbraw/zinc/83/87/23/985838723.db2.gz WKEKNPQLZCFXOT-FUHWJXTLSA-N 1 2 401.850 3.507 20 5 HHBDLO Cc1cccc([C@@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)[NH+]2CCOCC2)c1 ZINC000462918206 985851462 /nfs/dbraw/zinc/85/14/62/985851462.db2.gz ATQXSTSXXNHHEO-GOSISDBHSA-N 1 2 407.417 3.990 20 5 HHBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000462987669 985936299 /nfs/dbraw/zinc/93/62/99/985936299.db2.gz HMLQCXAGGSSVHC-LJQANCHMSA-N 1 2 411.502 3.517 20 5 HHBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000463039156 985999039 /nfs/dbraw/zinc/99/90/39/985999039.db2.gz YHFBJWYEPNMOJM-GFCCVEGCSA-N 1 2 424.320 3.938 20 5 HHBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000444026958 986221572 /nfs/dbraw/zinc/22/15/72/986221572.db2.gz AMIDTNFDAXEHLX-UHFFFAOYSA-N 1 2 421.544 3.507 20 5 HHBDLO CCO[C@H](C)c1nc(C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cs1 ZINC000444235243 986423638 /nfs/dbraw/zinc/42/36/38/986423638.db2.gz FGVWCUXQHHFLCM-CQSZACIVSA-N 1 2 406.508 3.918 20 5 HHBDLO CCO[C@H](C)c1nc(C[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cs1 ZINC000444235243 986423642 /nfs/dbraw/zinc/42/36/42/986423642.db2.gz FGVWCUXQHHFLCM-CQSZACIVSA-N 1 2 406.508 3.918 20 5 HHBDLO NC(=O)[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000463749229 986739187 /nfs/dbraw/zinc/73/91/87/986739187.db2.gz XYBJVSFHHABABI-FQEVSTJZSA-N 1 2 413.380 3.982 20 5 HHBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000444658590 986839890 /nfs/dbraw/zinc/83/98/90/986839890.db2.gz NRERECCVPZEGRB-SFHVURJKSA-N 1 2 419.485 3.960 20 5 HHBDLO CC(C)CO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000469281696 987000370 /nfs/dbraw/zinc/00/03/70/987000370.db2.gz NLKZSFJXDILSFZ-PBHICJAKSA-N 1 2 418.519 3.792 20 5 HHBDLO CC(C)CO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000469281696 987000376 /nfs/dbraw/zinc/00/03/76/987000376.db2.gz NLKZSFJXDILSFZ-PBHICJAKSA-N 1 2 418.519 3.792 20 5 HHBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000469938551 987562824 /nfs/dbraw/zinc/56/28/24/987562824.db2.gz LADOJAPGUHAOTN-UHFFFAOYSA-N 1 2 406.508 3.637 20 5 HHBDLO C[NH+](C)[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 ZINC000470599971 988616474 /nfs/dbraw/zinc/61/64/74/988616474.db2.gz GYEDFKUCOHXYTJ-INIZCTEOSA-N 1 2 421.379 3.523 20 5 HHBDLO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000470639974 988653542 /nfs/dbraw/zinc/65/35/42/988653542.db2.gz WAQDGWYWJNIFDU-LEWJYISDSA-N 1 2 405.458 3.562 20 5 HHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000470917133 988993052 /nfs/dbraw/zinc/99/30/52/988993052.db2.gz DQCUKUVJMGOVOB-RDJZCZTQSA-N 1 2 401.438 3.742 20 5 HHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000470917133 988993055 /nfs/dbraw/zinc/99/30/55/988993055.db2.gz DQCUKUVJMGOVOB-RDJZCZTQSA-N 1 2 401.438 3.742 20 5 HHBDLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464783064 989012120 /nfs/dbraw/zinc/01/21/20/989012120.db2.gz FNQHZLBZBZMWLK-ZDUSSCGKSA-N 1 2 405.401 3.743 20 5 HHBDLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000471024364 989096474 /nfs/dbraw/zinc/09/64/74/989096474.db2.gz ZVAFKRJWBKBXBR-LJQANCHMSA-N 1 2 407.474 3.961 20 5 HHBDLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000471024364 989096484 /nfs/dbraw/zinc/09/64/84/989096484.db2.gz ZVAFKRJWBKBXBR-LJQANCHMSA-N 1 2 407.474 3.961 20 5 HHBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466571192 991885433 /nfs/dbraw/zinc/88/54/33/991885433.db2.gz BKGXTYSZQNFFCA-UHFFFAOYSA-N 1 2 403.801 3.572 20 5 HHBDLO CCc1nnc(-c2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cc2)o1 ZINC000467515518 992793825 /nfs/dbraw/zinc/79/38/25/992793825.db2.gz WYAUPNRSDQTFCA-UHFFFAOYSA-N 1 2 404.386 3.645 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](CC)O[C@]3(CCOC3)C2)cc1OC ZINC000483148717 996003617 /nfs/dbraw/zinc/00/36/17/996003617.db2.gz UGTNGQHNZCNNSV-AQOAWAETSA-N 1 2 422.522 3.798 20 5 HHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@@H](CC)O[C@]3(CCOC3)C2)cc1OC ZINC000483148717 996003619 /nfs/dbraw/zinc/00/36/19/996003619.db2.gz UGTNGQHNZCNNSV-AQOAWAETSA-N 1 2 422.522 3.798 20 5 HHBDLO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000483645844 996305453 /nfs/dbraw/zinc/30/54/53/996305453.db2.gz LJMXKGDFNTYTQJ-GJZGRUSLSA-N 1 2 409.446 3.637 20 5 HHBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000476422138 996889086 /nfs/dbraw/zinc/88/90/86/996889086.db2.gz FROZXPYORPZZAR-UHFFFAOYSA-N 1 2 400.385 3.722 20 5 HHBDLO Cc1cc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000485347410 997767889 /nfs/dbraw/zinc/76/78/89/997767889.db2.gz KRQYRMMBYHDIGB-UHFFFAOYSA-N 1 2 404.430 3.792 20 5 HHBDLO CCc1ccccc1NC(=O)CN1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000485709966 998177252 /nfs/dbraw/zinc/17/72/52/998177252.db2.gz QSPJSNPSVTWLJO-GOSISDBHSA-N 1 2 410.518 3.783 20 5 HHBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CSc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000486020269 998466461 /nfs/dbraw/zinc/46/64/61/998466461.db2.gz UBXLAVRCRNPYMA-HZPDHXFCSA-N 1 2 415.515 3.935 20 5 HHBDLO COc1cc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000478675443 999082856 /nfs/dbraw/zinc/08/28/56/999082856.db2.gz IPIVETHLNPRDSJ-GJZGRUSLSA-N 1 2 413.474 3.773 20 5 HHBDLO Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1C(=O)N(C)C(C)C ZINC000488195669 999410612 /nfs/dbraw/zinc/41/06/12/999410612.db2.gz CZGYFRVICBAINQ-UHFFFAOYSA-N 1 2 421.457 3.822 20 5 HHBDLO COc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000479971902 999669208 /nfs/dbraw/zinc/66/92/08/999669208.db2.gz UJXXAIHZKKDUGB-OAHLLOKOSA-N 1 2 403.866 3.902 20 5 HHBDLO COc1ccccc1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000479971902 999669209 /nfs/dbraw/zinc/66/92/09/999669209.db2.gz UJXXAIHZKKDUGB-OAHLLOKOSA-N 1 2 403.866 3.902 20 5 HHBDLO Cc1ccc(NC(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000480000977 999681450 /nfs/dbraw/zinc/68/14/50/999681450.db2.gz HHBLHFADGOKXJD-SFHVURJKSA-N 1 2 412.490 3.658 20 5 HHBDLO O=C(Nc1ccn(-c2ccccc2Cl)n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000489070861 999689514 /nfs/dbraw/zinc/68/95/14/999689514.db2.gz LJKMGYKCZRJYLQ-UHFFFAOYSA-N 1 2 408.805 3.872 20 5 HHBDLO COC(=O)c1cc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c(C)c([N+](=O)[O-])c1 ZINC000489737256 999828299 /nfs/dbraw/zinc/82/82/99/999828299.db2.gz AYIGYYIQTDVRMM-KRWDZBQOSA-N 1 2 405.838 3.585 20 5 HHBDLO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nc(C(F)(F)F)cs1 ZINC000490047368 999884642 /nfs/dbraw/zinc/88/46/42/999884642.db2.gz SMVBKOQEYUTWMO-BXKDBHETSA-N 1 2 400.382 3.526 20 5 HHBDLO Cc1cc(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n(-c2ccc(F)cc2)n1 ZINC000490211717 999911364 /nfs/dbraw/zinc/91/13/64/999911364.db2.gz XOBJGHSOKSRCAK-UHFFFAOYSA-N 1 2 423.448 3.831 20 5 HHBDLO Cc1cc(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n(-c2ccc(F)cc2)n1 ZINC000490211717 999911368 /nfs/dbraw/zinc/91/13/68/999911368.db2.gz XOBJGHSOKSRCAK-UHFFFAOYSA-N 1 2 423.448 3.831 20 5 HHBDLO COc1cc(C[N@H+](C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])ccc1O ZINC000491139635 1000049326 /nfs/dbraw/zinc/04/93/26/1000049326.db2.gz RHTRKTPIOWSIFD-UHFFFAOYSA-N 1 2 412.389 3.594 20 5 HHBDLO COc1cc(C[N@@H+](C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])ccc1O ZINC000491139635 1000049328 /nfs/dbraw/zinc/04/93/28/1000049328.db2.gz RHTRKTPIOWSIFD-UHFFFAOYSA-N 1 2 412.389 3.594 20 5 HHBDLO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000494135527 1000324496 /nfs/dbraw/zinc/32/44/96/1000324496.db2.gz YMTGPIORWRMOCG-MAUKXSAKSA-N 1 2 421.448 3.673 20 5 HHBDLO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000494135527 1000324499 /nfs/dbraw/zinc/32/44/99/1000324499.db2.gz YMTGPIORWRMOCG-MAUKXSAKSA-N 1 2 421.448 3.673 20 5 HHBDLO CC(C)(C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1ccccc1[N+](=O)[O-] ZINC000504905858 1000439639 /nfs/dbraw/zinc/43/96/39/1000439639.db2.gz OSPLJMAMJQMMDJ-UHFFFAOYSA-N 1 2 401.894 3.700 20 5 HHBDLO CC(C)(C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)c1ccccc1[N+](=O)[O-] ZINC000504905858 1000439642 /nfs/dbraw/zinc/43/96/42/1000439642.db2.gz OSPLJMAMJQMMDJ-UHFFFAOYSA-N 1 2 401.894 3.700 20 5 HHBDLO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505475878 1000800765 /nfs/dbraw/zinc/80/07/65/1000800765.db2.gz GWSDLICVZIRSKC-KRWDZBQOSA-N 1 2 412.446 3.644 20 5 HHBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc(SC)c([N+](=O)[O-])c3)CC2)c1 ZINC000505546488 1000892715 /nfs/dbraw/zinc/89/27/15/1000892715.db2.gz GVPQSOLCPCJBLE-OAHLLOKOSA-N 1 2 415.515 3.844 20 5 HHBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000495364939 1000984925 /nfs/dbraw/zinc/98/49/25/1000984925.db2.gz WTTHXXSKPTZFGS-UHFFFAOYSA-N 1 2 412.418 3.891 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)c(F)c1 ZINC000497484099 1001392180 /nfs/dbraw/zinc/39/21/80/1001392180.db2.gz ATKDYGHVSJBLGR-RTBURBONSA-N 1 2 400.385 3.530 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)c(F)c1 ZINC000497484099 1001392188 /nfs/dbraw/zinc/39/21/88/1001392188.db2.gz ATKDYGHVSJBLGR-RTBURBONSA-N 1 2 400.385 3.530 20 5 HHBDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000507020231 1001767813 /nfs/dbraw/zinc/76/78/13/1001767813.db2.gz GQBSNMHBKZERNW-UHFFFAOYSA-N 1 2 423.473 3.626 20 5 HHBDLO COc1cc(C[NH+]2CCC(Oc3ccccn3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000507664749 1002261352 /nfs/dbraw/zinc/26/13/52/1002261352.db2.gz HAWWDAXTGNQVLJ-UHFFFAOYSA-N 1 2 409.389 3.643 20 5 HHBDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000498876771 1002263619 /nfs/dbraw/zinc/26/36/19/1002263619.db2.gz XHCSLAYDWAGVBG-ROUUACIJSA-N 1 2 424.284 3.703 20 5 HHBDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000498876771 1002263629 /nfs/dbraw/zinc/26/36/29/1002263629.db2.gz XHCSLAYDWAGVBG-ROUUACIJSA-N 1 2 424.284 3.703 20 5 HHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000499051956 1002433745 /nfs/dbraw/zinc/43/37/45/1002433745.db2.gz HHUWRLMSUMJENE-UHFFFAOYSA-N 1 2 408.805 3.872 20 5 HHBDLO CN(c1ccccc1)c1ccc(C[NH2+]Cc2nnnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000507947539 1002481302 /nfs/dbraw/zinc/48/13/02/1002481302.db2.gz YXTFJHNZCGFWCB-UHFFFAOYSA-N 1 2 415.457 3.628 20 5 HHBDLO CSc1ccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1[N+](=O)[O-] ZINC000500855268 1004004553 /nfs/dbraw/zinc/00/45/53/1004004553.db2.gz DOLSVTDWNZRXLF-QGZVFWFLSA-N 1 2 412.471 3.940 20 5 HHBDLO CSc1ccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1[N+](=O)[O-] ZINC000500855268 1004004561 /nfs/dbraw/zinc/00/45/61/1004004561.db2.gz DOLSVTDWNZRXLF-QGZVFWFLSA-N 1 2 412.471 3.940 20 5 HHBDLO CSc1ccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1[N+](=O)[O-] ZINC000500855267 1004004656 /nfs/dbraw/zinc/00/46/56/1004004656.db2.gz DOLSVTDWNZRXLF-KRWDZBQOSA-N 1 2 412.471 3.940 20 5 HHBDLO CSc1ccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1[N+](=O)[O-] ZINC000500855267 1004004664 /nfs/dbraw/zinc/00/46/64/1004004664.db2.gz DOLSVTDWNZRXLF-KRWDZBQOSA-N 1 2 412.471 3.940 20 5 HHBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)C1 ZINC000500863150 1004010935 /nfs/dbraw/zinc/01/09/35/1004010935.db2.gz GCOFQXRISSDADM-OAHLLOKOSA-N 1 2 401.448 3.550 20 5 HHBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)C1 ZINC000500863150 1004010945 /nfs/dbraw/zinc/01/09/45/1004010945.db2.gz GCOFQXRISSDADM-OAHLLOKOSA-N 1 2 401.448 3.550 20 5 HHBDLO COc1cc(C[NH+]2CCN(CC(F)F)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512176562 1004078885 /nfs/dbraw/zinc/07/88/85/1004078885.db2.gz AYJPEACSXLQVBI-UHFFFAOYSA-N 1 2 421.444 3.565 20 5 HHBDLO CCOc1ccc(-c2cn(C3C[NH+](C/C=C/c4ccccc4[N+](=O)[O-])C3)nn2)cc1 ZINC000501689347 1004605986 /nfs/dbraw/zinc/60/59/86/1004605986.db2.gz OIQIYVRPYCDPOR-FNORWQNLSA-N 1 2 405.458 3.822 20 5 HHBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000510723968 1004817665 /nfs/dbraw/zinc/81/76/65/1004817665.db2.gz UUBGQEZRAQHODY-OYHNWAKOSA-N 1 2 406.442 3.880 20 5 HHBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000510723968 1004817671 /nfs/dbraw/zinc/81/76/71/1004817671.db2.gz UUBGQEZRAQHODY-OYHNWAKOSA-N 1 2 406.442 3.880 20 5 HHBDLO CN1C(=O)C[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000510791250 1004854749 /nfs/dbraw/zinc/85/47/49/1004854749.db2.gz LCHWDWCCODUHSP-WMZOPIPTSA-N 1 2 413.783 3.727 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000502518244 1005098841 /nfs/dbraw/zinc/09/88/41/1005098841.db2.gz VYPVFRQZXZKREP-UHFFFAOYSA-N 1 2 418.409 3.922 20 5 HHBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513988350 1005215601 /nfs/dbraw/zinc/21/56/01/1005215601.db2.gz XHYVEEQJOCABHP-SCLBCKFNSA-N 1 2 405.907 3.902 20 5 HHBDLO CN(C)[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000514099885 1005265189 /nfs/dbraw/zinc/26/51/89/1005265189.db2.gz RYUFZIXLWIUJQG-WOJBJXKFSA-N 1 2 413.909 3.964 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCCN(c4nccs4)CC3)cs2)c1 ZINC000511748005 1005305826 /nfs/dbraw/zinc/30/58/26/1005305826.db2.gz FZSFZOIXRWJTGH-UHFFFAOYSA-N 1 2 401.517 3.887 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCCN(c4nccs4)CC3)cs2)c1 ZINC000511748005 1005305832 /nfs/dbraw/zinc/30/58/32/1005305832.db2.gz FZSFZOIXRWJTGH-UHFFFAOYSA-N 1 2 401.517 3.887 20 5 HHBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000511785056 1005326790 /nfs/dbraw/zinc/32/67/90/1005326790.db2.gz MFZPVROUYOYDGL-UXHICEINSA-N 1 2 418.444 3.502 20 5 HHBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000511785056 1005326794 /nfs/dbraw/zinc/32/67/94/1005326794.db2.gz MFZPVROUYOYDGL-UXHICEINSA-N 1 2 418.444 3.502 20 5 HHBDLO CN(Cc1cc(Br)cs1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000514467093 1005999740 /nfs/dbraw/zinc/99/97/40/1005999740.db2.gz ZAZFQPDEBKCSER-UHFFFAOYSA-N 1 2 421.276 3.877 20 5 HHBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C[C@H](C)O1 ZINC000534568226 1006558583 /nfs/dbraw/zinc/55/85/83/1006558583.db2.gz IEAXUZXKFPOYBO-IRXDYDNUSA-N 1 2 424.501 3.794 20 5 HHBDLO C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000532059832 1006609749 /nfs/dbraw/zinc/60/97/49/1006609749.db2.gz ZFNUBZNTJHVSTE-ZDUSSCGKSA-N 1 2 407.455 3.751 20 5 HHBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000538400221 1006668985 /nfs/dbraw/zinc/66/89/85/1006668985.db2.gz ORGQUUOALUERIQ-UHFFFAOYSA-N 1 2 404.492 3.753 20 5 HHBDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538601614 1006873172 /nfs/dbraw/zinc/87/31/72/1006873172.db2.gz UKUYEAGHIKZNBI-APWZRJJASA-N 1 2 420.872 3.923 20 5 HHBDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538601614 1006873184 /nfs/dbraw/zinc/87/31/84/1006873184.db2.gz UKUYEAGHIKZNBI-APWZRJJASA-N 1 2 420.872 3.923 20 5 HHBDLO O=C(CN1CC[NH+](C/C=C\c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000532559897 1006992769 /nfs/dbraw/zinc/99/27/69/1006992769.db2.gz QWHMJYKFMFBJKC-DAXSKMNVSA-N 1 2 414.893 3.518 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000532580920 1007016039 /nfs/dbraw/zinc/01/60/39/1007016039.db2.gz QGVFYQGLCBMCBC-AWEZNQCLSA-N 1 2 417.437 3.613 20 5 HHBDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000538740063 1007024234 /nfs/dbraw/zinc/02/42/34/1007024234.db2.gz GLRSXFZQPRROIH-ZDUSSCGKSA-N 1 2 412.895 3.905 20 5 HHBDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000538740063 1007024252 /nfs/dbraw/zinc/02/42/52/1007024252.db2.gz GLRSXFZQPRROIH-ZDUSSCGKSA-N 1 2 412.895 3.905 20 5 HHBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000532589206 1007026279 /nfs/dbraw/zinc/02/62/79/1007026279.db2.gz NKFIGGJECRPAOA-RISCZKNCSA-N 1 2 400.357 3.749 20 5 HHBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000532589206 1007026291 /nfs/dbraw/zinc/02/62/91/1007026291.db2.gz NKFIGGJECRPAOA-RISCZKNCSA-N 1 2 400.357 3.749 20 5 HHBDLO Cc1ccc(C(=O)C2CC[NH+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)c(C)c1 ZINC000532764930 1007169358 /nfs/dbraw/zinc/16/93/58/1007169358.db2.gz RFBXHEQMXSFBQR-QFIPXVFZSA-N 1 2 421.497 3.912 20 5 HHBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000535326602 1007379781 /nfs/dbraw/zinc/37/97/81/1007379781.db2.gz QLCKDQIOVRZRPR-UHFFFAOYSA-N 1 2 403.442 3.874 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539128841 1007421415 /nfs/dbraw/zinc/42/14/15/1007421415.db2.gz ZRYHRUOJCUCFHQ-CRAIPNDOSA-N 1 2 406.845 3.535 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539128841 1007421419 /nfs/dbraw/zinc/42/14/19/1007421419.db2.gz ZRYHRUOJCUCFHQ-CRAIPNDOSA-N 1 2 406.845 3.535 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000535375728 1007437551 /nfs/dbraw/zinc/43/75/51/1007437551.db2.gz XIUOJOAVBAIYOL-GUYCJALGSA-N 1 2 419.865 3.737 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000535375728 1007437555 /nfs/dbraw/zinc/43/75/55/1007437555.db2.gz XIUOJOAVBAIYOL-GUYCJALGSA-N 1 2 419.865 3.737 20 5 HHBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000535432405 1007495369 /nfs/dbraw/zinc/49/53/69/1007495369.db2.gz TWQLWJYXOPSMFQ-LEWJYISDSA-N 1 2 405.458 3.562 20 5 HHBDLO CC(C)OC1CC[NH+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000533338719 1007645564 /nfs/dbraw/zinc/64/55/64/1007645564.db2.gz BPCUVGKSADTWCP-UHFFFAOYSA-N 1 2 404.492 3.546 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])c1 ZINC000533343869 1007650438 /nfs/dbraw/zinc/65/04/38/1007650438.db2.gz XRIRKBWASLAVLU-CQSZACIVSA-N 1 2 421.457 3.596 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])c1 ZINC000533343869 1007650445 /nfs/dbraw/zinc/65/04/45/1007650445.db2.gz XRIRKBWASLAVLU-CQSZACIVSA-N 1 2 421.457 3.596 20 5 HHBDLO CC(C)Cn1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C(F)F)n1 ZINC000535655674 1007669350 /nfs/dbraw/zinc/66/93/50/1007669350.db2.gz LWMVGMMXIPNMTR-UHFFFAOYSA-N 1 2 404.377 3.823 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000533369519 1007678469 /nfs/dbraw/zinc/67/84/69/1007678469.db2.gz UHULFZHBLCGUFQ-UHFFFAOYSA-N 1 2 420.473 3.506 20 5 HHBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000533426784 1007735014 /nfs/dbraw/zinc/73/50/14/1007735014.db2.gz HFNVXVBRKBLIJA-WBVHZDCISA-N 1 2 413.449 3.964 20 5 HHBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000533426784 1007735027 /nfs/dbraw/zinc/73/50/27/1007735027.db2.gz HFNVXVBRKBLIJA-WBVHZDCISA-N 1 2 413.449 3.964 20 5 HHBDLO C[C@@H](c1cccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1)[NH+]1CCOCC1 ZINC000536057849 1008087782 /nfs/dbraw/zinc/08/77/82/1008087782.db2.gz QOSHRGYNKGONCT-INIZCTEOSA-N 1 2 410.474 3.578 20 5 HHBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c(C)c1 ZINC000536063151 1008092378 /nfs/dbraw/zinc/09/23/78/1008092378.db2.gz XETHVMUCLRJMJD-OAQYLSRUSA-N 1 2 419.485 3.917 20 5 HHBDLO Cc1ccc(Sc2ccc(C[N@H+](C)C[C@@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])cc1 ZINC000539817558 1008111604 /nfs/dbraw/zinc/11/16/04/1008111604.db2.gz LABRZSHCIKKUND-KRWDZBQOSA-N 1 2 420.556 3.921 20 5 HHBDLO Cc1ccc(Sc2ccc(C[N@@H+](C)C[C@@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])cc1 ZINC000539817558 1008111613 /nfs/dbraw/zinc/11/16/13/1008111613.db2.gz LABRZSHCIKKUND-KRWDZBQOSA-N 1 2 420.556 3.921 20 5 HHBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000539849789 1008139201 /nfs/dbraw/zinc/13/92/01/1008139201.db2.gz MGJASZYTLPOYIL-MSOLQXFVSA-N 1 2 402.520 3.940 20 5 HHBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000539849789 1008139204 /nfs/dbraw/zinc/13/92/04/1008139204.db2.gz MGJASZYTLPOYIL-MSOLQXFVSA-N 1 2 402.520 3.940 20 5 HHBDLO CCc1ccc(C[NH+]2CCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)CC2)s1 ZINC000533946328 1008223840 /nfs/dbraw/zinc/22/38/40/1008223840.db2.gz DBPIGYMKXZYYBA-UHFFFAOYSA-N 1 2 412.515 3.587 20 5 HHBDLO CCOC(=O)c1cc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)cc([N+](=O)[O-])c1 ZINC000545569393 1008668214 /nfs/dbraw/zinc/66/82/14/1008668214.db2.gz JQRBTPVQSDIYIA-UHFFFAOYSA-N 1 2 419.397 3.733 20 5 HHBDLO Cc1cc(Br)cn2c(CN3CCc4c(cccc4[N+](=O)[O-])C3)c[nH+]c12 ZINC000543397741 1008989041 /nfs/dbraw/zinc/98/90/41/1008989041.db2.gz DNZMEZYPFZDSMD-UHFFFAOYSA-N 1 2 401.264 3.872 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000549550057 1009168385 /nfs/dbraw/zinc/16/83/85/1009168385.db2.gz GCQBJNSWDPQDKE-LJQANCHMSA-N 1 2 410.430 3.617 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000549550057 1009168394 /nfs/dbraw/zinc/16/83/94/1009168394.db2.gz GCQBJNSWDPQDKE-LJQANCHMSA-N 1 2 410.430 3.617 20 5 HHBDLO O=[N+]([O-])c1ccc(SCc2nc(-c3ccccc3C[NH+]3CCOCC3)no2)cc1 ZINC000546300981 1009319100 /nfs/dbraw/zinc/31/91/00/1009319100.db2.gz SLINCCGCMJEXBI-UHFFFAOYSA-N 1 2 412.471 3.769 20 5 HHBDLO CN1CC[N@H+](C)C[C@H]1c1noc(/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000546497199 1009517386 /nfs/dbraw/zinc/51/73/86/1009517386.db2.gz IZDNPJQPRBFKPI-VMSUTVGLSA-N 1 2 411.487 3.795 20 5 HHBDLO CN1CC[N@@H+](C)C[C@H]1c1noc(/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000546497199 1009517399 /nfs/dbraw/zinc/51/73/99/1009517399.db2.gz IZDNPJQPRBFKPI-VMSUTVGLSA-N 1 2 411.487 3.795 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543949592 1009546743 /nfs/dbraw/zinc/54/67/43/1009546743.db2.gz QCSYIAXTTPRSCY-OXJNMPFZSA-N 1 2 407.392 3.506 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543949592 1009546752 /nfs/dbraw/zinc/54/67/52/1009546752.db2.gz QCSYIAXTTPRSCY-OXJNMPFZSA-N 1 2 407.392 3.506 20 5 HHBDLO CC[C@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1nccs1 ZINC000544413558 1010031524 /nfs/dbraw/zinc/03/15/24/1010031524.db2.gz FRGAHUPUOHKLDL-ZDUSSCGKSA-N 1 2 403.489 3.854 20 5 HHBDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)c2ccc(Cl)cc2)C1 ZINC000544623098 1010247098 /nfs/dbraw/zinc/24/70/98/1010247098.db2.gz KFRQYKDXGNICOF-QZTJIDSGSA-N 1 2 422.844 3.581 20 5 HHBDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)c2ccc(Cl)cc2)C1 ZINC000544623098 1010247108 /nfs/dbraw/zinc/24/71/08/1010247108.db2.gz KFRQYKDXGNICOF-QZTJIDSGSA-N 1 2 422.844 3.581 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000548749115 1010722193 /nfs/dbraw/zinc/72/21/93/1010722193.db2.gz BPEXPVHCUPEJDR-IEBWSBKVSA-N 1 2 420.872 3.674 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000548749115 1010722200 /nfs/dbraw/zinc/72/22/00/1010722200.db2.gz BPEXPVHCUPEJDR-IEBWSBKVSA-N 1 2 420.872 3.674 20 5 HHBDLO COc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000523175833 1011660235 /nfs/dbraw/zinc/66/02/35/1011660235.db2.gz RMPNYXJVCXNKQX-UHFFFAOYSA-N 1 2 402.794 3.703 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541108311 1011755151 /nfs/dbraw/zinc/75/51/51/1011755151.db2.gz GXNZUWZLTXXVSW-MJGOQNOKSA-N 1 2 422.407 3.647 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541108311 1011755162 /nfs/dbraw/zinc/75/51/62/1011755162.db2.gz GXNZUWZLTXXVSW-MJGOQNOKSA-N 1 2 422.407 3.647 20 5 HHBDLO Cc1ccc(C[NH+]2CCSCC2)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000523459410 1011963142 /nfs/dbraw/zinc/96/31/42/1011963142.db2.gz BZCWQKOWCHVTBO-UHFFFAOYSA-N 1 2 421.544 3.561 20 5 HHBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)cc1 ZINC000541283186 1011976377 /nfs/dbraw/zinc/97/63/77/1011976377.db2.gz ZEBVBLVIJRWOSX-KRWDZBQOSA-N 1 2 408.907 3.729 20 5 HHBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2Cc2ccccc2Cl)cc1 ZINC000541283186 1011976386 /nfs/dbraw/zinc/97/63/86/1011976386.db2.gz ZEBVBLVIJRWOSX-KRWDZBQOSA-N 1 2 408.907 3.729 20 5 HHBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000541306508 1012011660 /nfs/dbraw/zinc/01/16/60/1012011660.db2.gz NTVIBVJRPUYSDF-UHFFFAOYSA-N 1 2 420.853 3.982 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536917118 1012192123 /nfs/dbraw/zinc/19/21/23/1012192123.db2.gz QPQVHIOHGZGYGE-QAPCUYQASA-N 1 2 424.835 3.674 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536917118 1012192137 /nfs/dbraw/zinc/19/21/37/1012192137.db2.gz QPQVHIOHGZGYGE-QAPCUYQASA-N 1 2 424.835 3.674 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536917342 1012194716 /nfs/dbraw/zinc/19/47/16/1012194716.db2.gz VMKQXMYIFKRHEL-UZLBHIALSA-N 1 2 421.856 3.718 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536917342 1012194725 /nfs/dbraw/zinc/19/47/25/1012194725.db2.gz VMKQXMYIFKRHEL-UZLBHIALSA-N 1 2 421.856 3.718 20 5 HHBDLO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(NC(=O)C2CC2)cc1 ZINC000537054076 1012383005 /nfs/dbraw/zinc/38/30/05/1012383005.db2.gz PIBPTESEKYPKAG-CYBMUJFWSA-N 1 2 407.430 3.844 20 5 HHBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000552415014 1012430689 /nfs/dbraw/zinc/43/06/89/1012430689.db2.gz NMGSJBWNWPYHEP-UHFFFAOYSA-N 1 2 402.454 3.615 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000541645101 1012465969 /nfs/dbraw/zinc/46/59/69/1012465969.db2.gz AUPZAGFKJLPKGS-KBPBESRZSA-N 1 2 410.430 3.936 20 5 HHBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000552617902 1012623349 /nfs/dbraw/zinc/62/33/49/1012623349.db2.gz IKLZFYFUMIBJPU-AWEZNQCLSA-N 1 2 414.849 3.577 20 5 HHBDLO COc1c(C)c[nH+]c(CN(C)C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000523955697 1012697936 /nfs/dbraw/zinc/69/79/36/1012697936.db2.gz FNHMWXBFGHCTBG-UHFFFAOYSA-N 1 2 407.854 3.696 20 5 HHBDLO CC1(C)CC(=O)c2cc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)ccc2O1 ZINC000552792950 1012800515 /nfs/dbraw/zinc/80/05/15/1012800515.db2.gz ZTHJOFWSHGYHLN-UHFFFAOYSA-N 1 2 406.398 3.777 20 5 HHBDLO COC(=O)c1cc(C)nc(N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000552973959 1012956554 /nfs/dbraw/zinc/95/65/54/1012956554.db2.gz DOPHECIYPYYGHO-AWEZNQCLSA-N 1 2 418.881 3.621 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c2ncccc12 ZINC000904497705 1071793146 /nfs/dbraw/zinc/79/31/46/1071793146.db2.gz QDBNDCCEPKYHNM-UHFFFAOYSA-N 1 2 417.425 3.692 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Br)cn3)no2)cc1-n1cc[nH+]c1 ZINC000904846038 1071918607 /nfs/dbraw/zinc/91/86/07/1071918607.db2.gz AZOZYSLDSQFQCE-UHFFFAOYSA-N 1 2 413.191 3.655 20 5 HHBDLO C[C@@H](Nc1ccc(C(=O)N(C)CCCn2cc[nH+]c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000488244417 1072160114 /nfs/dbraw/zinc/16/01/14/1072160114.db2.gz CSIXGOKWPGFELT-MRXNPFEDSA-N 1 2 408.462 3.522 20 5 HHBDLO Cc1ccc(Sc2ccc(C(=O)N[C@@H]3CCc4c[nH+]cn4C3)cc2[N+](=O)[O-])cc1 ZINC000587035966 1072510322 /nfs/dbraw/zinc/51/03/22/1072510322.db2.gz CJASCVSZJKAEIN-MRXNPFEDSA-N 1 2 408.483 3.996 20 5 HHBDLO CCC[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)c2C1 ZINC000479147895 1072770047 /nfs/dbraw/zinc/77/00/47/1072770047.db2.gz MKBZKGYVNUJETA-CQSZACIVSA-N 1 2 419.503 3.908 20 5 HHBDLO CCC[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)c2C1 ZINC000479147895 1072770056 /nfs/dbraw/zinc/77/00/56/1072770056.db2.gz MKBZKGYVNUJETA-CQSZACIVSA-N 1 2 419.503 3.908 20 5 HHBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000573960965 1074755171 /nfs/dbraw/zinc/75/51/71/1074755171.db2.gz IYMDMDZLVYEKFD-UHFFFAOYSA-N 1 2 404.348 3.788 20 5 HHBDLO Cc1cc(Sc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC000301447418 970932977 /nfs/dbraw/zinc/93/29/77/970932977.db2.gz RNACECLKLAMIDY-GFCCVEGCSA-N 1 2 402.455 3.792 20 5 HHBDLO C[N@@H+]1CCC[C@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301917825 971115559 /nfs/dbraw/zinc/11/55/59/971115559.db2.gz AYGHGVQXOFELDC-ABAIWWIYSA-N 1 2 415.562 3.616 20 5 HHBDLO C[N@H+]1CCC[C@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301917825 971115564 /nfs/dbraw/zinc/11/55/64/971115564.db2.gz AYGHGVQXOFELDC-ABAIWWIYSA-N 1 2 415.562 3.616 20 5 HHBDLO O=[N+]([O-])c1cnc(N2CC[NH+]([C@@H](c3ccccc3)c3ccccc3Cl)CC2)nc1 ZINC000302160298 971191610 /nfs/dbraw/zinc/19/16/10/971191610.db2.gz OVIOEILHOGJWPL-FQEVSTJZSA-N 1 2 409.877 3.950 20 5 HHBDLO CC1CC[NH+]([C@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c2cccs2)CC1 ZINC000302729656 971293282 /nfs/dbraw/zinc/29/32/82/971293282.db2.gz UWSZWKSOOLEMBP-QGZVFWFLSA-N 1 2 423.560 3.945 20 5 HHBDLO Cn1cnc([N+](=O)[O-])c1N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000524265618 1013078390 /nfs/dbraw/zinc/07/83/90/1013078390.db2.gz YMEZAMPWSVVKIR-LJQANCHMSA-N 1 2 411.893 3.893 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(Oc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000303678854 971956808 /nfs/dbraw/zinc/95/68/08/971956808.db2.gz JPZYZIHCFQMQSD-CQSZACIVSA-N 1 2 417.437 3.613 20 5 HHBDLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000303755797 972007142 /nfs/dbraw/zinc/00/71/42/972007142.db2.gz MZRAWGKCTVICSZ-MRXNPFEDSA-N 1 2 410.405 3.879 20 5 HHBDLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000303755797 972007149 /nfs/dbraw/zinc/00/71/49/972007149.db2.gz MZRAWGKCTVICSZ-MRXNPFEDSA-N 1 2 410.405 3.879 20 5 HHBDLO COc1cc(CN[C@@H]2C[N@H+](C)Cc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000537611434 1013152699 /nfs/dbraw/zinc/15/26/99/1013152699.db2.gz KCFJFHMVIYUYPL-MRXNPFEDSA-N 1 2 407.417 3.524 20 5 HHBDLO COc1cc(CN[C@@H]2C[N@@H+](C)Cc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000537611434 1013152709 /nfs/dbraw/zinc/15/27/09/1013152709.db2.gz KCFJFHMVIYUYPL-MRXNPFEDSA-N 1 2 407.417 3.524 20 5 HHBDLO CCO[C@@H](C)c1nc(CN2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000537622082 1013169488 /nfs/dbraw/zinc/16/94/88/1013169488.db2.gz OISZWCFKTVGKBB-JKNJVXJCSA-N 1 2 416.547 3.980 20 5 HHBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000303866994 972410170 /nfs/dbraw/zinc/41/01/70/972410170.db2.gz QDCCCAADAIHDSQ-UHFFFAOYSA-N 1 2 402.426 3.908 20 5 HHBDLO CCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000303944930 972526771 /nfs/dbraw/zinc/52/67/71/972526771.db2.gz ZCXZURZDJPTBAA-RBUKOAKNSA-N 1 2 400.479 3.836 20 5 HHBDLO COc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000014325332 962469812 /nfs/dbraw/zinc/46/98/12/962469812.db2.gz TVBITOCEPAANPQ-OAHLLOKOSA-N 1 2 411.458 3.525 20 5 HHBDLO C[NH+](C)[C@H](CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])c1cccs1 ZINC000015171311 962675684 /nfs/dbraw/zinc/67/56/84/962675684.db2.gz NHHRWVNNCIPTPP-CYBMUJFWSA-N 1 2 423.438 3.665 20 5 HHBDLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000015312542 962718453 /nfs/dbraw/zinc/71/84/53/962718453.db2.gz YMKQGSUBANXYOM-IBGZPJMESA-N 1 2 400.431 3.816 20 5 HHBDLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000015312542 962718456 /nfs/dbraw/zinc/71/84/56/962718456.db2.gz YMKQGSUBANXYOM-IBGZPJMESA-N 1 2 400.431 3.816 20 5 HHBDLO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000015550682 962790779 /nfs/dbraw/zinc/79/07/79/962790779.db2.gz WOWDONWIFUQNDU-UHFFFAOYSA-N 1 2 416.865 3.537 20 5 HHBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](Oc4ccc(C(F)(F)F)cn4)C3)nc2c1 ZINC000537854023 1013422771 /nfs/dbraw/zinc/42/27/71/1013422771.db2.gz MXPRIZPMLKOTHN-CYBMUJFWSA-N 1 2 408.336 3.803 20 5 HHBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](Oc4ccc(C(F)(F)F)cn4)C3)nc2c1 ZINC000537854023 1013422777 /nfs/dbraw/zinc/42/27/77/1013422777.db2.gz MXPRIZPMLKOTHN-CYBMUJFWSA-N 1 2 408.336 3.803 20 5 HHBDLO Cc1c(Br)c(NCc2cccc(Cn3cc[nH+]c3)c2)ncc1[N+](=O)[O-] ZINC000542521738 1013464611 /nfs/dbraw/zinc/46/46/11/1013464611.db2.gz XSYMGZXLKCDALK-UHFFFAOYSA-N 1 2 402.252 3.918 20 5 HHBDLO O=C(C[NH+]1CCC(CCc2ccccc2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000025832733 964368743 /nfs/dbraw/zinc/36/87/43/964368743.db2.gz LUMMLFDHKDHNFJ-UHFFFAOYSA-N 1 2 411.458 3.607 20 5 HHBDLO CC[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nc(C(F)(F)F)cs1 ZINC000542564937 1013506462 /nfs/dbraw/zinc/50/64/62/1013506462.db2.gz DZHKZIDGMYKBLX-QWHCGFSZSA-N 1 2 414.409 3.916 20 5 HHBDLO COc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC(F)F ZINC000026452639 964568569 /nfs/dbraw/zinc/56/85/69/964568569.db2.gz AXYBJWWPMFHTNE-UHFFFAOYSA-N 1 2 410.373 3.703 20 5 HHBDLO COc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC(F)F ZINC000026452639 964568578 /nfs/dbraw/zinc/56/85/78/964568578.db2.gz AXYBJWWPMFHTNE-UHFFFAOYSA-N 1 2 410.373 3.703 20 5 HHBDLO Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC000053370824 965147969 /nfs/dbraw/zinc/14/79/69/965147969.db2.gz HGNOMGSPJVUWDF-IBGZPJMESA-N 1 2 403.866 3.959 20 5 HHBDLO Cc1c(NC(=O)CC[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC000053370824 965147974 /nfs/dbraw/zinc/14/79/74/965147974.db2.gz HGNOMGSPJVUWDF-IBGZPJMESA-N 1 2 403.866 3.959 20 5 HHBDLO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000053714548 965252179 /nfs/dbraw/zinc/25/21/79/965252179.db2.gz LWWYUFYWIRVYGG-MRXNPFEDSA-N 1 2 404.264 3.793 20 5 HHBDLO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000053714548 965252183 /nfs/dbraw/zinc/25/21/83/965252183.db2.gz LWWYUFYWIRVYGG-MRXNPFEDSA-N 1 2 404.264 3.793 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000054122425 965390367 /nfs/dbraw/zinc/39/03/67/965390367.db2.gz DEYPVVVEPHVCIU-UHFFFAOYSA-N 1 2 403.866 3.605 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000054122425 965390391 /nfs/dbraw/zinc/39/03/91/965390391.db2.gz DEYPVVVEPHVCIU-UHFFFAOYSA-N 1 2 403.866 3.605 20 5 HHBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000029669399 965453367 /nfs/dbraw/zinc/45/33/67/965453367.db2.gz AOYGQIVLWIGCCS-UHFFFAOYSA-N 1 2 422.488 3.716 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538023276 1013595006 /nfs/dbraw/zinc/59/50/06/1013595006.db2.gz YZCRPRNFNLVGEK-ZWKOTPCHSA-N 1 2 406.845 3.656 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538023276 1013595012 /nfs/dbraw/zinc/59/50/12/1013595012.db2.gz YZCRPRNFNLVGEK-ZWKOTPCHSA-N 1 2 406.845 3.656 20 5 HHBDLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000032052763 966184343 /nfs/dbraw/zinc/18/43/43/966184343.db2.gz VGBRSFCTHIEDIG-SFHVURJKSA-N 1 2 422.441 3.775 20 5 HHBDLO O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032143707 966196032 /nfs/dbraw/zinc/19/60/32/966196032.db2.gz SUVNRHUEDSFZFI-UHFFFAOYSA-N 1 2 419.441 3.659 20 5 HHBDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000032432325 966252278 /nfs/dbraw/zinc/25/22/78/966252278.db2.gz URXDWURYANGFTP-UHFFFAOYSA-N 1 2 424.501 3.532 20 5 HHBDLO CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032487766 966270420 /nfs/dbraw/zinc/27/04/20/966270420.db2.gz UUWBVFPYQLEUBY-UHFFFAOYSA-N 1 2 402.357 3.654 20 5 HHBDLO O=C(c1cc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000063254708 966792699 /nfs/dbraw/zinc/79/26/99/966792699.db2.gz LJTGVJHBEGPWNV-UHFFFAOYSA-N 1 2 409.421 3.768 20 5 HHBDLO COc1cc([C@H](C)[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc(OC)c1OC ZINC000538126019 1013687978 /nfs/dbraw/zinc/68/79/78/1013687978.db2.gz PMJWBDDZPUISBU-LBPRGKRZSA-N 1 2 414.418 3.521 20 5 HHBDLO Cc1cc(N2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000043342643 966956363 /nfs/dbraw/zinc/95/63/63/966956363.db2.gz GIHWNXNRUMYPBB-UHFFFAOYSA-N 1 2 418.885 3.824 20 5 HHBDLO COc1ccc(S(=O)(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c([N+](=O)[O-])c1 ZINC000538133077 1013695165 /nfs/dbraw/zinc/69/51/65/1013695165.db2.gz QKGAHEUKVAIQKZ-HNNXBMFYSA-N 1 2 419.503 3.636 20 5 HHBDLO COc1ccc(S(=O)(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c([N+](=O)[O-])c1 ZINC000538133077 1013695173 /nfs/dbraw/zinc/69/51/73/1013695173.db2.gz QKGAHEUKVAIQKZ-HNNXBMFYSA-N 1 2 419.503 3.636 20 5 HHBDLO CCOC(=O)c1sc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1C ZINC000064350094 967151379 /nfs/dbraw/zinc/15/13/79/967151379.db2.gz VEQVKAGSISENCB-UHFFFAOYSA-N 1 2 419.503 3.991 20 5 HHBDLO CCOC(=O)c1sc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1C ZINC000064350094 967151400 /nfs/dbraw/zinc/15/14/00/967151400.db2.gz VEQVKAGSISENCB-UHFFFAOYSA-N 1 2 419.503 3.991 20 5 HHBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000064723935 967276110 /nfs/dbraw/zinc/27/61/10/967276110.db2.gz KYKVXRZBKARDMQ-CQSZACIVSA-N 1 2 414.849 3.577 20 5 HHBDLO Cc1cc(N2CCSCC2)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000065037126 967354134 /nfs/dbraw/zinc/35/41/34/967354134.db2.gz ALHHCSHJUVLJHC-UHFFFAOYSA-N 1 2 423.498 3.894 20 5 HHBDLO O=C(NCCSCc1ccccc1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000046744051 967949440 /nfs/dbraw/zinc/94/94/40/967949440.db2.gz RFQIVHHKTLPSHE-UHFFFAOYSA-N 1 2 400.435 3.583 20 5 HHBDLO COc1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000047514742 968218217 /nfs/dbraw/zinc/21/82/17/968218217.db2.gz WJRIPBQLAMZVLD-UHFFFAOYSA-N 1 2 404.329 3.643 20 5 HHBDLO CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)[NH+]1CCOCC1 ZINC000538248005 1013793344 /nfs/dbraw/zinc/79/33/44/1013793344.db2.gz XBYAPNIJBFSXER-KRWDZBQOSA-N 1 2 409.552 3.572 20 5 HHBDLO CC1CCN(c2ccc(C(=O)NCc3ccccc3-n3cc[nH+]c3)cc2[N+](=O)[O-])CC1 ZINC000065737781 968620131 /nfs/dbraw/zinc/62/01/31/968620131.db2.gz FXWQOWNUPQDGSR-UHFFFAOYSA-N 1 2 419.485 3.947 20 5 HHBDLO O=C1[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1c1ccccc1F ZINC000237855283 970382096 /nfs/dbraw/zinc/38/20/96/970382096.db2.gz CTMZYHHMNDHHMQ-KRWDZBQOSA-N 1 2 412.446 3.753 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3C[N@H+](Cc4ccccc4)CCO3)cs2)c1 ZINC000238008032 970417256 /nfs/dbraw/zinc/41/72/56/970417256.db2.gz CHLUELCVAHJPDY-NRFANRHFSA-N 1 2 424.526 3.709 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)cs2)c1 ZINC000238008032 970417265 /nfs/dbraw/zinc/41/72/65/970417265.db2.gz CHLUELCVAHJPDY-NRFANRHFSA-N 1 2 424.526 3.709 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000165109892 970453995 /nfs/dbraw/zinc/45/39/95/970453995.db2.gz KRLIDYLBVFESDB-QFIPXVFZSA-N 1 2 418.453 3.811 20 5 HHBDLO CN(C(=O)C[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000165135507 970455381 /nfs/dbraw/zinc/45/53/81/970455381.db2.gz FCPQSUIEXUJEGL-QFIPXVFZSA-N 1 2 418.453 3.527 20 5 HHBDLO O=C(C[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000165111782 970455607 /nfs/dbraw/zinc/45/56/07/970455607.db2.gz FUKAYTVLIAYIKI-NRFANRHFSA-N 1 2 404.426 3.503 20 5 HHBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409785224 973262912 /nfs/dbraw/zinc/26/29/12/973262912.db2.gz QSGSNNFJEHYZNT-OAHLLOKOSA-N 1 2 417.897 3.870 20 5 HHBDLO C[C@@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc([N+](=O)[O-])cc1F ZINC000410272815 973789718 /nfs/dbraw/zinc/78/97/18/973789718.db2.gz NRNKLXJMYXVPQA-CABCVRRESA-N 1 2 400.454 3.776 20 5 HHBDLO CCOc1cc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])cc1OCC ZINC000429257326 976545339 /nfs/dbraw/zinc/54/53/39/976545339.db2.gz ZZLHPWBJLFXEQE-UHFFFAOYSA-N 1 2 403.439 3.527 20 5 HHBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000429466860 976736519 /nfs/dbraw/zinc/73/65/19/976736519.db2.gz NLIRHWIZDTULHH-UHFFFAOYSA-N 1 2 411.409 3.899 20 5 HHBDLO COC(=O)C[C@](C)([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccncc1 ZINC000429986566 977249892 /nfs/dbraw/zinc/24/98/92/977249892.db2.gz SXOCNGZTFLMZRL-FQEVSTJZSA-N 1 2 412.471 3.681 20 5 HHBDLO C[C@@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430864790 977825392 /nfs/dbraw/zinc/82/53/92/977825392.db2.gz ADQWMOMFEUEZAX-SXGZJXTBSA-N 1 2 403.504 3.877 20 5 HHBDLO C[C@@H]1C[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430864790 977825397 /nfs/dbraw/zinc/82/53/97/977825397.db2.gz ADQWMOMFEUEZAX-SXGZJXTBSA-N 1 2 403.504 3.877 20 5 HHBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431464130 978314536 /nfs/dbraw/zinc/31/45/36/978314536.db2.gz KVLARMZJMBIHAA-UHFFFAOYSA-N 1 2 419.210 3.612 20 5 HHBDLO C[C@@H](CCSc1ccccc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000431624282 978393250 /nfs/dbraw/zinc/39/32/50/978393250.db2.gz VWTXGFXCRNGFCM-HNNXBMFYSA-N 1 2 405.545 3.985 20 5 HHBDLO O=C(C[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccs1 ZINC000432323022 978761392 /nfs/dbraw/zinc/76/13/92/978761392.db2.gz OIGJVDCSLBIVCC-OAHLLOKOSA-N 1 2 410.455 3.720 20 5 HHBDLO CCOc1cc(N2CC[NH+]([C@@H](C)c3cc(C(=O)OC)c(C)o3)CC2)ccc1[N+](=O)[O-] ZINC000433214447 979148156 /nfs/dbraw/zinc/14/81/56/979148156.db2.gz SVUNQFKWLFNWEX-AWEZNQCLSA-N 1 2 417.462 3.565 20 5 HHBDLO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2[N+](=O)[O-])C1 ZINC000434286918 980047526 /nfs/dbraw/zinc/04/75/26/980047526.db2.gz LFJBEZSTRHADNR-IYBDPMFKSA-N 1 2 411.506 3.820 20 5 HHBDLO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2[N+](=O)[O-])C1 ZINC000434286918 980047537 /nfs/dbraw/zinc/04/75/37/980047537.db2.gz LFJBEZSTRHADNR-IYBDPMFKSA-N 1 2 411.506 3.820 20 5 HHBDLO Cc1ccc(C(=O)NC2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)s1 ZINC000434844632 980440067 /nfs/dbraw/zinc/44/00/67/980440067.db2.gz VRSIAPKZAFXNLM-UHFFFAOYSA-N 1 2 400.460 3.500 20 5 HHBDLO Cc1c(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435325960 980784388 /nfs/dbraw/zinc/78/43/88/980784388.db2.gz BKSZFWIBDBFHBB-BDJLRTHQSA-N 1 2 422.283 3.977 20 5 HHBDLO C[NH+](C)[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccsc1 ZINC000436091275 981195382 /nfs/dbraw/zinc/19/53/82/981195382.db2.gz IKHLBHDUYYSVLF-SFHVURJKSA-N 1 2 409.486 3.915 20 5 HHBDLO O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000436510163 981409750 /nfs/dbraw/zinc/40/97/50/981409750.db2.gz FNKWNJXGHBCEQS-UHFFFAOYSA-N 1 2 423.494 3.987 20 5 HHBDLO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436867405 981597066 /nfs/dbraw/zinc/59/70/66/981597066.db2.gz BZVWAKZMVQVMCS-UHFFFAOYSA-N 1 2 411.380 3.523 20 5 HHBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000461080267 982775857 /nfs/dbraw/zinc/77/58/57/982775857.db2.gz IRIBCKMDMYZIAF-KRWDZBQOSA-N 1 2 405.857 3.711 20 5 HHBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000461080267 982775861 /nfs/dbraw/zinc/77/58/61/982775861.db2.gz IRIBCKMDMYZIAF-KRWDZBQOSA-N 1 2 405.857 3.711 20 5 HHBDLO CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000438937282 983165612 /nfs/dbraw/zinc/16/56/12/983165612.db2.gz OWVXVEMOMCEMNN-UHFFFAOYSA-N 1 2 419.441 3.640 20 5 HHBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000440545503 983791215 /nfs/dbraw/zinc/79/12/15/983791215.db2.gz JSHZAWRCDKTIQM-GEYWLOKFSA-N 1 2 401.507 3.900 20 5 HHBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000440545503 983791220 /nfs/dbraw/zinc/79/12/20/983791220.db2.gz JSHZAWRCDKTIQM-GEYWLOKFSA-N 1 2 401.507 3.900 20 5 HHBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CCOc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000441485856 984279204 /nfs/dbraw/zinc/27/92/04/984279204.db2.gz DLLDZMAPOYBCCK-IBGZPJMESA-N 1 2 408.458 3.735 20 5 HHBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCCCC3)c2)nc1OCc1ccccc1 ZINC000462480085 985436493 /nfs/dbraw/zinc/43/64/93/985436493.db2.gz PKHNUKMVLHSYTE-UHFFFAOYSA-N 1 2 419.485 4.566 20 5 HHBDLO O=[N+]([O-])c1ccc(NCc2ccc(Cn3cc[nH+]c3)cc2)nc1OCc1ccccc1 ZINC000462506265 985458025 /nfs/dbraw/zinc/45/80/25/985458025.db2.gz WSSNKTZRWVLKCT-UHFFFAOYSA-N 1 2 415.453 4.426 20 5 HHBDLO COc1ccc([C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c2ccccc2OC)cc1 ZINC000443457326 985627894 /nfs/dbraw/zinc/62/78/94/985627894.db2.gz SUIVOOMMDYZBCJ-JOCHJYFZSA-N 1 2 421.453 3.590 20 5 HHBDLO O=C1[C@H]([N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000443646637 985838569 /nfs/dbraw/zinc/83/85/69/985838569.db2.gz WKEKNPQLZCFXOT-SJLPKXTDSA-N 1 2 401.850 3.507 20 5 HHBDLO O=C1[C@H]([N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000443646637 985838584 /nfs/dbraw/zinc/83/85/84/985838584.db2.gz WKEKNPQLZCFXOT-SJLPKXTDSA-N 1 2 401.850 3.507 20 5 HHBDLO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000468471933 986165525 /nfs/dbraw/zinc/16/55/25/986165525.db2.gz YUSWYIADRSXWOY-ZGRWHYIRSA-N 1 2 404.264 3.529 20 5 HHBDLO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000468471933 986165529 /nfs/dbraw/zinc/16/55/29/986165529.db2.gz YUSWYIADRSXWOY-ZGRWHYIRSA-N 1 2 404.264 3.529 20 5 HHBDLO C[C@@H](C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000469041084 986751206 /nfs/dbraw/zinc/75/12/06/986751206.db2.gz OHISGJGHVHVPJO-CQSZACIVSA-N 1 2 400.454 3.776 20 5 HHBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000469295737 987011133 /nfs/dbraw/zinc/01/11/33/987011133.db2.gz WEGDTBBELPZJMI-UHFFFAOYSA-N 1 2 400.504 3.869 20 5 HHBDLO CS(=O)(=O)c1ccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)s1 ZINC000469355527 987056905 /nfs/dbraw/zinc/05/69/05/987056905.db2.gz OLDIYQZMGCZVSK-LJQANCHMSA-N 1 2 402.497 3.939 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000444935885 987080865 /nfs/dbraw/zinc/08/08/65/987080865.db2.gz HYYBLOFHDJIMKI-UYAOXDASSA-N 1 2 407.430 3.850 20 5 HHBDLO CC1CCN(c2ccc(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc2[N+](=O)[O-])CC1 ZINC000469396785 987094528 /nfs/dbraw/zinc/09/45/28/987094528.db2.gz BTGYRHKBKLUJOF-UTKZUKDTSA-N 1 2 411.506 3.751 20 5 HHBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000469979195 987596158 /nfs/dbraw/zinc/59/61/58/987596158.db2.gz SRJFTNPVSCKXJL-UHFFFAOYSA-N 1 2 423.311 3.598 20 5 HHBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccccc1-n1cc[nH+]c1 ZINC000445738300 987802376 /nfs/dbraw/zinc/80/23/76/987802376.db2.gz ASHUXQOAROYRPC-UHFFFAOYSA-N 1 2 401.220 3.724 20 5 HHBDLO COc1cc(C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1F ZINC000464682359 988887496 /nfs/dbraw/zinc/88/74/96/988887496.db2.gz HZDHNPAAXGDEPY-UHFFFAOYSA-N 1 2 420.416 3.668 20 5 HHBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC000464715572 988930095 /nfs/dbraw/zinc/93/00/95/988930095.db2.gz UCLKVRGYUJIZQI-ZDUSSCGKSA-N 1 2 410.434 3.702 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000464730552 988949662 /nfs/dbraw/zinc/94/96/62/988949662.db2.gz FOIORJYQGCIYIW-UHFFFAOYSA-N 1 2 407.474 3.609 20 5 HHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000464730552 988949668 /nfs/dbraw/zinc/94/96/68/988949668.db2.gz FOIORJYQGCIYIW-UHFFFAOYSA-N 1 2 407.474 3.609 20 5 HHBDLO O=C(NC1CC1)[C@@H](c1ccc(F)cc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464782600 989011027 /nfs/dbraw/zinc/01/10/27/989011027.db2.gz YOMDLFDPEPLQLT-OAQYLSRUSA-N 1 2 413.449 3.597 20 5 HHBDLO CCc1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000471891360 990064895 /nfs/dbraw/zinc/06/48/95/990064895.db2.gz XWWQKOOOYHNSRS-SFHVURJKSA-N 1 2 411.502 3.520 20 5 HHBDLO COCc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000467015797 992322656 /nfs/dbraw/zinc/32/26/56/992322656.db2.gz IYJFKFKPYKVLGA-GUYCJALGSA-N 1 2 403.435 3.507 20 5 HHBDLO COCc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000467015797 992322666 /nfs/dbraw/zinc/32/26/66/992322666.db2.gz IYJFKFKPYKVLGA-GUYCJALGSA-N 1 2 403.435 3.507 20 5 HHBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000473063607 993984618 /nfs/dbraw/zinc/98/46/18/993984618.db2.gz UIFSHNQYNZHILP-UHFFFAOYSA-N 1 2 410.392 3.905 20 5 HHBDLO CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000481226059 994057853 /nfs/dbraw/zinc/05/78/53/994057853.db2.gz NKJQMBUJOSLDIA-CQSZACIVSA-N 1 2 424.482 3.563 20 5 HHBDLO CCOc1cc(N2CC[NH+]([C@@H](C)c3cc(C)c(C(=O)OC)o3)CC2)ccc1[N+](=O)[O-] ZINC000481770670 994622108 /nfs/dbraw/zinc/62/21/08/994622108.db2.gz UITXSXHQXRPBGT-HNNXBMFYSA-N 1 2 417.462 3.565 20 5 HHBDLO O=C(NCc1cccc(OCC(F)(F)F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000482586406 995589038 /nfs/dbraw/zinc/58/90/38/995589038.db2.gz ZUNMNZCEILHYMM-UHFFFAOYSA-N 1 2 420.347 3.652 20 5 HHBDLO CCn1nccc1C[N@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000475516906 996195232 /nfs/dbraw/zinc/19/52/32/996195232.db2.gz OSLXDOGBXXFORF-UHFFFAOYSA-N 1 2 404.854 3.719 20 5 HHBDLO CCn1nccc1C[N@@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000475516906 996195235 /nfs/dbraw/zinc/19/52/35/996195235.db2.gz OSLXDOGBXXFORF-UHFFFAOYSA-N 1 2 404.854 3.719 20 5 HHBDLO COC(=O)COc1ccc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)cc1[N+](=O)[O-] ZINC000475559532 996219088 /nfs/dbraw/zinc/21/90/88/996219088.db2.gz KCCGIHPHHPCFHZ-UHFFFAOYSA-N 1 2 406.385 3.589 20 5 HHBDLO COC(=O)COc1ccc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)cc1[N+](=O)[O-] ZINC000475559532 996219095 /nfs/dbraw/zinc/21/90/95/996219095.db2.gz KCCGIHPHHPCFHZ-UHFFFAOYSA-N 1 2 406.385 3.589 20 5 HHBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000483664214 996316277 /nfs/dbraw/zinc/31/62/77/996316277.db2.gz DDFOBFPNMRNPJJ-UHFFFAOYSA-N 1 2 401.488 3.791 20 5 HHBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)C2 ZINC000476122740 996615118 /nfs/dbraw/zinc/61/51/18/996615118.db2.gz SUYJQBNQFHJVRJ-XOBRGWDASA-N 1 2 400.504 3.820 20 5 HHBDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)CC2 ZINC000476122740 996615122 /nfs/dbraw/zinc/61/51/22/996615122.db2.gz SUYJQBNQFHJVRJ-XOBRGWDASA-N 1 2 400.504 3.820 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000476573038 997070882 /nfs/dbraw/zinc/07/08/82/997070882.db2.gz AJARAHTXAVGHRT-SJLPKXTDSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000476573038 997070896 /nfs/dbraw/zinc/07/08/96/997070896.db2.gz AJARAHTXAVGHRT-SJLPKXTDSA-N 1 2 421.856 3.961 20 5 HHBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C2 ZINC000477109473 997762635 /nfs/dbraw/zinc/76/26/35/997762635.db2.gz JPSCVXJMKLPXKS-LBPRGKRZSA-N 1 2 410.396 3.881 20 5 HHBDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)CC2 ZINC000477109473 997762645 /nfs/dbraw/zinc/76/26/45/997762645.db2.gz JPSCVXJMKLPXKS-LBPRGKRZSA-N 1 2 410.396 3.881 20 5 HHBDLO CSc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000485516777 997973185 /nfs/dbraw/zinc/97/31/85/997973185.db2.gz KDTQZWXQSXVPLT-DOTOQJQBSA-N 1 2 407.442 3.770 20 5 HHBDLO CSc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000485516777 997973194 /nfs/dbraw/zinc/97/31/94/997973194.db2.gz KDTQZWXQSXVPLT-DOTOQJQBSA-N 1 2 407.442 3.770 20 5 HHBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)n2)C1 ZINC000485890318 998344471 /nfs/dbraw/zinc/34/44/71/998344471.db2.gz SIRLKXXCRSLJKF-LLVKDONJSA-N 1 2 410.446 3.743 20 5 HHBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)n2)C1 ZINC000485890318 998344485 /nfs/dbraw/zinc/34/44/85/998344485.db2.gz SIRLKXXCRSLJKF-LLVKDONJSA-N 1 2 410.446 3.743 20 5 HHBDLO O=C(NCCCNc1cccc[nH+]1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000486753441 998924024 /nfs/dbraw/zinc/92/40/24/998924024.db2.gz OODMPZYPBKTUDU-UHFFFAOYSA-N 1 2 405.458 3.834 20 5 HHBDLO C[C@H]([C@H](C)NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[NH+]1CCOCC1 ZINC000487637681 999237533 /nfs/dbraw/zinc/23/75/33/999237533.db2.gz SOGHOGABUNQJCR-JKSUJKDBSA-N 1 2 415.515 3.585 20 5 HHBDLO Cc1ccc(-n2cnc3c2CC[N@H+](Cc2cc([N+](=O)[O-])cc4c2OCOC4)C3)cc1 ZINC000488031193 999353477 /nfs/dbraw/zinc/35/34/77/999353477.db2.gz KFMYGISMJWKGNG-UHFFFAOYSA-N 1 2 406.442 3.514 20 5 HHBDLO Cc1ccc(-n2cnc3c2CC[N@@H+](Cc2cc([N+](=O)[O-])cc4c2OCOC4)C3)cc1 ZINC000488031193 999353479 /nfs/dbraw/zinc/35/34/79/999353479.db2.gz KFMYGISMJWKGNG-UHFFFAOYSA-N 1 2 406.442 3.514 20 5 HHBDLO Cc1ccc([C@H](C)NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000488044539 999357522 /nfs/dbraw/zinc/35/75/22/999357522.db2.gz QBYYGXSNYWSVRI-INIZCTEOSA-N 1 2 421.457 3.620 20 5 HHBDLO C[C@@H]([NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000479357732 999401986 /nfs/dbraw/zinc/40/19/86/999401986.db2.gz IZSWFKZNXKTVMA-ZJUUUORDSA-N 1 2 418.302 3.961 20 5 HHBDLO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000488329650 999443232 /nfs/dbraw/zinc/44/32/32/999443232.db2.gz JPEXSSZFLUNLKQ-UHFFFAOYSA-N 1 2 410.430 3.755 20 5 HHBDLO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000479784386 999590680 /nfs/dbraw/zinc/59/06/80/999590680.db2.gz OMUJKIDNWMSJBO-GMVOTWDCSA-N 1 2 418.444 3.987 20 5 HHBDLO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000479784386 999590686 /nfs/dbraw/zinc/59/06/86/999590686.db2.gz OMUJKIDNWMSJBO-GMVOTWDCSA-N 1 2 418.444 3.987 20 5 HHBDLO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000479788141 999593289 /nfs/dbraw/zinc/59/32/89/999593289.db2.gz XUOSSGNEGYVLHJ-RQUSPXKASA-N 1 2 404.417 3.679 20 5 HHBDLO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000479788141 999593293 /nfs/dbraw/zinc/59/32/93/999593293.db2.gz XUOSSGNEGYVLHJ-RQUSPXKASA-N 1 2 404.417 3.679 20 5 HHBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489872414 999852495 /nfs/dbraw/zinc/85/24/95/999852495.db2.gz OBCYUTVLMNNXSI-UHFFFAOYSA-N 1 2 405.458 3.714 20 5 HHBDLO Cc1ccc([C@@H](C)NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000489882187 999854510 /nfs/dbraw/zinc/85/45/10/999854510.db2.gz HGQGGKVNKSUAPF-QGZVFWFLSA-N 1 2 407.474 3.751 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC2(CC1)OCCc1ccsc12 ZINC000491876174 1000098849 /nfs/dbraw/zinc/09/88/49/1000098849.db2.gz OKKHPUGSSNXIJK-UHFFFAOYSA-N 1 2 424.482 3.546 20 5 HHBDLO CCOc1cc(C[N@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)ccc1[N+](=O)[O-] ZINC000492794872 1000144680 /nfs/dbraw/zinc/14/46/80/1000144680.db2.gz XPTFKCCBEKQCBK-SFHVURJKSA-N 1 2 403.866 3.884 20 5 HHBDLO CCOc1cc(C[N@@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)ccc1[N+](=O)[O-] ZINC000492794872 1000144682 /nfs/dbraw/zinc/14/46/82/1000144682.db2.gz XPTFKCCBEKQCBK-SFHVURJKSA-N 1 2 403.866 3.884 20 5 HHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)cc1OC ZINC000494069871 1000293617 /nfs/dbraw/zinc/29/36/17/1000293617.db2.gz SHKNAQXYSUQBHX-CQSZACIVSA-N 1 2 401.463 3.687 20 5 HHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCc3cc[nH]c(=O)c3C2)cc1OC ZINC000494069871 1000293620 /nfs/dbraw/zinc/29/36/20/1000293620.db2.gz SHKNAQXYSUQBHX-CQSZACIVSA-N 1 2 401.463 3.687 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000494097815 1000306324 /nfs/dbraw/zinc/30/63/24/1000306324.db2.gz XTVBVWWMRPGBSI-MJGOQNOKSA-N 1 2 403.429 3.712 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000494097815 1000306329 /nfs/dbraw/zinc/30/63/29/1000306329.db2.gz XTVBVWWMRPGBSI-MJGOQNOKSA-N 1 2 403.429 3.712 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494241258 1000381827 /nfs/dbraw/zinc/38/18/27/1000381827.db2.gz KNMUIXYJQUMZHA-UHFFFAOYSA-N 1 2 410.243 3.875 20 5 HHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494241258 1000381832 /nfs/dbraw/zinc/38/18/32/1000381832.db2.gz KNMUIXYJQUMZHA-UHFFFAOYSA-N 1 2 410.243 3.875 20 5 HHBDLO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000505363166 1000724492 /nfs/dbraw/zinc/72/44/92/1000724492.db2.gz YCLDIMYAHWPRPS-UHFFFAOYSA-N 1 2 401.426 3.765 20 5 HHBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505543698 1000890960 /nfs/dbraw/zinc/89/09/60/1000890960.db2.gz UXDNEPOZUKRKCP-OAHLLOKOSA-N 1 2 409.870 3.653 20 5 HHBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc(SC)c([N+](=O)[O-])c3)CC2)c1 ZINC000505546487 1000892832 /nfs/dbraw/zinc/89/28/32/1000892832.db2.gz GVPQSOLCPCJBLE-HNNXBMFYSA-N 1 2 415.515 3.844 20 5 HHBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000506033521 1001178467 /nfs/dbraw/zinc/17/84/67/1001178467.db2.gz YJPGQWXNZDKGQX-NSHDSACASA-N 1 2 412.277 3.762 20 5 HHBDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000497359816 1001308906 /nfs/dbraw/zinc/30/89/06/1001308906.db2.gz ASOAUJSGWIKXQS-ZNMIVQPWSA-N 1 2 424.929 3.592 20 5 HHBDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000497359816 1001308910 /nfs/dbraw/zinc/30/89/10/1001308910.db2.gz ASOAUJSGWIKXQS-ZNMIVQPWSA-N 1 2 424.929 3.592 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000497484093 1001392164 /nfs/dbraw/zinc/39/21/64/1001392164.db2.gz ATKDYGHVSJBLGR-OALUTQOASA-N 1 2 400.385 3.530 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000497484093 1001392169 /nfs/dbraw/zinc/39/21/69/1001392169.db2.gz ATKDYGHVSJBLGR-OALUTQOASA-N 1 2 400.385 3.530 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000497490212 1001397718 /nfs/dbraw/zinc/39/77/18/1001397718.db2.gz WTSOHQMVIOKCMZ-AZUAARDMSA-N 1 2 416.428 3.623 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000497490212 1001397721 /nfs/dbraw/zinc/39/77/21/1001397721.db2.gz WTSOHQMVIOKCMZ-AZUAARDMSA-N 1 2 416.428 3.623 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@@H]1c1ccc(F)c(F)c1 ZINC000498644996 1002046322 /nfs/dbraw/zinc/04/63/22/1002046322.db2.gz VOHZPVTXWBZXOQ-PXNSSMCTSA-N 1 2 412.396 3.596 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@@H]1c1ccc(F)c(F)c1 ZINC000498644996 1002046328 /nfs/dbraw/zinc/04/63/28/1002046328.db2.gz VOHZPVTXWBZXOQ-PXNSSMCTSA-N 1 2 412.396 3.596 20 5 HHBDLO O=C(CNc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000507579095 1002184252 /nfs/dbraw/zinc/18/42/52/1002184252.db2.gz JIOAPLOCGHYFGS-UHFFFAOYSA-N 1 2 415.453 3.511 20 5 HHBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000507912587 1002446501 /nfs/dbraw/zinc/44/65/01/1002446501.db2.gz HNSLXIMFZOSRCL-HNNXBMFYSA-N 1 2 411.437 3.663 20 5 HHBDLO COc1cc(N[C@H]2CCC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)cc(OC)c1 ZINC000508990005 1003461887 /nfs/dbraw/zinc/46/18/87/1003461887.db2.gz GTUWNNDSENWRLU-ZDUSSCGKSA-N 1 2 407.417 3.967 20 5 HHBDLO COc1cc(N[C@H]2CCC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)cc(OC)c1 ZINC000508990005 1003461882 /nfs/dbraw/zinc/46/18/82/1003461882.db2.gz GTUWNNDSENWRLU-ZDUSSCGKSA-N 1 2 407.417 3.967 20 5 HHBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC000500120963 1003483479 /nfs/dbraw/zinc/48/34/79/1003483479.db2.gz DZSQZBKXQRIVAI-UHFFFAOYSA-N 1 2 402.348 3.688 20 5 HHBDLO CSc1ccc(C(=O)c2ccccc2C(=O)Nc2cc[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC000500306766 1003612715 /nfs/dbraw/zinc/61/27/15/1003612715.db2.gz YDAOZMFWJXZWIA-UHFFFAOYSA-N 1 2 407.451 3.925 20 5 HHBDLO Cn1cccc1C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000500743865 1003932994 /nfs/dbraw/zinc/93/29/94/1003932994.db2.gz MYOTWZWFPQBIAS-UHFFFAOYSA-N 1 2 410.499 3.620 20 5 HHBDLO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)ccc1NC1CC1 ZINC000500849042 1004000725 /nfs/dbraw/zinc/00/07/25/1004000725.db2.gz WTSSXNDVHMGUIY-HXUWFJFHSA-N 1 2 421.457 3.793 20 5 HHBDLO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)ccc1NC1CC1 ZINC000500849042 1004000733 /nfs/dbraw/zinc/00/07/33/1004000733.db2.gz WTSSXNDVHMGUIY-HXUWFJFHSA-N 1 2 421.457 3.793 20 5 HHBDLO Cc1csc(N(CC(F)(F)F)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000512638867 1004451176 /nfs/dbraw/zinc/45/11/76/1004451176.db2.gz REUPSHVXLKJFNM-UHFFFAOYSA-N 1 2 411.365 3.755 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000512682496 1004489712 /nfs/dbraw/zinc/48/97/12/1004489712.db2.gz GXVCSBAPEPTSNR-JOCHJYFZSA-N 1 2 413.437 3.827 20 5 HHBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510436286 1004565450 /nfs/dbraw/zinc/56/54/50/1004565450.db2.gz ZLEVYIWXIMYACK-XJKSGUPXSA-N 1 2 413.865 3.872 20 5 HHBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510436286 1004565461 /nfs/dbraw/zinc/56/54/61/1004565461.db2.gz ZLEVYIWXIMYACK-XJKSGUPXSA-N 1 2 413.865 3.872 20 5 HHBDLO COc1cc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)c([N+](=O)[O-])cc1OC ZINC000510562159 1004705378 /nfs/dbraw/zinc/70/53/78/1004705378.db2.gz ZYKDJOZMVWXXHG-UHFFFAOYSA-N 1 2 408.401 3.934 20 5 HHBDLO COc1ccccc1O[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000513362008 1004926304 /nfs/dbraw/zinc/92/63/04/1004926304.db2.gz SQVHXRYAXZUTKJ-SJORKVTESA-N 1 2 413.474 3.782 20 5 HHBDLO COc1ccccc1O[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000513362008 1004926306 /nfs/dbraw/zinc/92/63/06/1004926306.db2.gz SQVHXRYAXZUTKJ-SJORKVTESA-N 1 2 413.474 3.782 20 5 HHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000502344325 1005024015 /nfs/dbraw/zinc/02/40/15/1005024015.db2.gz UFPMSLGSSQJTSJ-AEFFLSMTSA-N 1 2 415.515 3.513 20 5 HHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000502344325 1005024021 /nfs/dbraw/zinc/02/40/21/1005024021.db2.gz UFPMSLGSSQJTSJ-AEFFLSMTSA-N 1 2 415.515 3.513 20 5 HHBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000511157982 1005049975 /nfs/dbraw/zinc/04/99/75/1005049975.db2.gz SOBGPZWKALKLKH-SFHVURJKSA-N 1 2 403.442 3.742 20 5 HHBDLO O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000511710227 1005287049 /nfs/dbraw/zinc/28/70/49/1005287049.db2.gz LHAQLDDJYKTKOX-UHFFFAOYSA-N 1 2 411.502 3.765 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514199500 1005309200 /nfs/dbraw/zinc/30/92/00/1005309200.db2.gz MNQFWOSJPHWFKR-UHFFFAOYSA-N 1 2 420.416 3.902 20 5 HHBDLO O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534245559 1006253366 /nfs/dbraw/zinc/25/33/66/1006253366.db2.gz AFFSQDFUONGUGZ-ZDUSSCGKSA-N 1 2 414.412 3.749 20 5 HHBDLO O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534245559 1006253376 /nfs/dbraw/zinc/25/33/76/1006253376.db2.gz AFFSQDFUONGUGZ-ZDUSSCGKSA-N 1 2 414.412 3.749 20 5 HHBDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000531868653 1006488245 /nfs/dbraw/zinc/48/82/45/1006488245.db2.gz UINMAERVCYDYAD-CQSZACIVSA-N 1 2 402.451 3.589 20 5 HHBDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000531868653 1006488250 /nfs/dbraw/zinc/48/82/50/1006488250.db2.gz UINMAERVCYDYAD-CQSZACIVSA-N 1 2 402.451 3.589 20 5 HHBDLO CC(C)(O)CCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000515954456 1006787352 /nfs/dbraw/zinc/78/73/52/1006787352.db2.gz HBSUSNMRBRIWAP-UHFFFAOYSA-N 1 2 417.531 3.519 20 5 HHBDLO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1N1CCOCC1 ZINC000534856186 1006877153 /nfs/dbraw/zinc/87/71/53/1006877153.db2.gz FIRPVVNEBLURJF-UHFFFAOYSA-N 1 2 408.458 3.718 20 5 HHBDLO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1N1CCOCC1 ZINC000534856186 1006877159 /nfs/dbraw/zinc/87/71/59/1006877159.db2.gz FIRPVVNEBLURJF-UHFFFAOYSA-N 1 2 408.458 3.718 20 5 HHBDLO CC[C@@H]1C[N@@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C[C@H]1O ZINC000534863288 1006889162 /nfs/dbraw/zinc/88/91/62/1006889162.db2.gz DAUKZZMTCHABSY-ZNOIYHFQSA-N 1 2 403.866 3.631 20 5 HHBDLO CC[C@@H]1C[N@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C[C@H]1O ZINC000534863288 1006889177 /nfs/dbraw/zinc/88/91/77/1006889177.db2.gz DAUKZZMTCHABSY-ZNOIYHFQSA-N 1 2 403.866 3.631 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000532572624 1007003887 /nfs/dbraw/zinc/00/38/87/1007003887.db2.gz QOJJLFDIRPJTAG-INIZCTEOSA-N 1 2 419.522 3.992 20 5 HHBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])CC2)c1 ZINC000538834848 1007108323 /nfs/dbraw/zinc/10/83/23/1007108323.db2.gz YQCGROKMQBKLAO-UHFFFAOYSA-N 1 2 416.481 3.923 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535127707 1007163072 /nfs/dbraw/zinc/16/30/72/1007163072.db2.gz NENRTJNGFFZOLG-SJLPKXTDSA-N 1 2 407.829 3.571 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535127707 1007163077 /nfs/dbraw/zinc/16/30/77/1007163077.db2.gz NENRTJNGFFZOLG-SJLPKXTDSA-N 1 2 407.829 3.571 20 5 HHBDLO Cc1c(CC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000535132025 1007169617 /nfs/dbraw/zinc/16/96/17/1007169617.db2.gz YFTANWDVKXCKSB-FXAWDEMLSA-N 1 2 405.857 3.800 20 5 HHBDLO Cc1c(CC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000535132025 1007169622 /nfs/dbraw/zinc/16/96/22/1007169622.db2.gz YFTANWDVKXCKSB-FXAWDEMLSA-N 1 2 405.857 3.800 20 5 HHBDLO COc1ccccc1CC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000532943122 1007314679 /nfs/dbraw/zinc/31/46/79/1007314679.db2.gz CCFOMTAUNYGFFJ-UHFFFAOYSA-N 1 2 413.474 3.505 20 5 HHBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000533066074 1007429124 /nfs/dbraw/zinc/42/91/24/1007429124.db2.gz YICCGOMWXNOFMS-UHFFFAOYSA-N 1 2 423.473 3.688 20 5 HHBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000535432407 1007495552 /nfs/dbraw/zinc/49/55/52/1007495552.db2.gz TWQLWJYXOPSMFQ-RTWAWAEBSA-N 1 2 405.458 3.562 20 5 HHBDLO C[C@@H]([NH2+]Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000539279273 1007574950 /nfs/dbraw/zinc/57/49/50/1007574950.db2.gz BVOCILCNHLFCRK-CYBMUJFWSA-N 1 2 401.444 3.504 20 5 HHBDLO Cc1csc([C@H]2C[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCO2)n1 ZINC000533258919 1007575655 /nfs/dbraw/zinc/57/56/55/1007575655.db2.gz QHYQPESCUUFUSE-QGZVFWFLSA-N 1 2 400.460 3.631 20 5 HHBDLO Cc1csc([C@H]2C[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCO2)n1 ZINC000533258919 1007575665 /nfs/dbraw/zinc/57/56/65/1007575665.db2.gz QHYQPESCUUFUSE-QGZVFWFLSA-N 1 2 400.460 3.631 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000539282478 1007578537 /nfs/dbraw/zinc/57/85/37/1007578537.db2.gz XIHYDICHOHHZNU-NSHDSACASA-N 1 2 423.263 3.988 20 5 HHBDLO Cc1c(NC(=O)[C@H](C)N2CC[NH+](C/C=C\c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000533284544 1007596584 /nfs/dbraw/zinc/59/65/84/1007596584.db2.gz QJQSSVSCRYTWAS-KWEPMOPPSA-N 1 2 408.502 3.561 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(OCC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000533427705 1007738498 /nfs/dbraw/zinc/73/84/98/1007738498.db2.gz YYZPFWPXHCWIJZ-MRXNPFEDSA-N 1 2 419.522 3.992 20 5 HHBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(Nc3cccc(C)c3)CC2)c([N+](=O)[O-])c1 ZINC000533530239 1007849806 /nfs/dbraw/zinc/84/98/06/1007849806.db2.gz FMORPFWFSRKDBE-UHFFFAOYSA-N 1 2 412.490 3.817 20 5 HHBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000517686409 1007899705 /nfs/dbraw/zinc/89/97/05/1007899705.db2.gz PXXKOXHNOPXEFC-UHFFFAOYSA-N 1 2 419.844 3.655 20 5 HHBDLO COc1ccc(CC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000533682237 1008003189 /nfs/dbraw/zinc/00/31/89/1008003189.db2.gz QLQRDUSBHJJGEL-JXFKEZNVSA-N 1 2 421.856 3.500 20 5 HHBDLO COc1ccc(CC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000533682237 1008003197 /nfs/dbraw/zinc/00/31/97/1008003197.db2.gz QLQRDUSBHJJGEL-JXFKEZNVSA-N 1 2 421.856 3.500 20 5 HHBDLO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000533682295 1008003809 /nfs/dbraw/zinc/00/38/09/1008003809.db2.gz OBZQAGSVHKJJBV-QAPCUYQASA-N 1 2 407.829 3.571 20 5 HHBDLO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000533682295 1008003841 /nfs/dbraw/zinc/00/38/41/1008003841.db2.gz OBZQAGSVHKJJBV-QAPCUYQASA-N 1 2 407.829 3.571 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2cccc(OC(C)C)c2)c([N+](=O)[O-])c1 ZINC000535969175 1008007614 /nfs/dbraw/zinc/00/76/14/1008007614.db2.gz LAXCCGKGFGXCRP-UHFFFAOYSA-N 1 2 401.463 3.851 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(OC(C)C)c2)c([N+](=O)[O-])c1 ZINC000535969175 1008007618 /nfs/dbraw/zinc/00/76/18/1008007618.db2.gz LAXCCGKGFGXCRP-UHFFFAOYSA-N 1 2 401.463 3.851 20 5 HHBDLO Cc1ccc([C@@H](C)[NH2+]Cc2csc(-c3c(C)c(C)nn(C)c3=O)n2)cc1[N+](=O)[O-] ZINC000540478573 1008447774 /nfs/dbraw/zinc/44/77/74/1008447774.db2.gz MRNHNNKVRFKBDZ-CQSZACIVSA-N 1 2 413.503 3.588 20 5 HHBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000519086768 1008525358 /nfs/dbraw/zinc/52/53/58/1008525358.db2.gz OCLIRBDRBAOFLN-KRWDZBQOSA-N 1 2 414.481 3.831 20 5 HHBDLO COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)[C@H]2C ZINC000543786355 1009355969 /nfs/dbraw/zinc/35/59/69/1009355969.db2.gz RWOGMWCYSMUGRJ-CABCVRRESA-N 1 2 406.442 3.937 20 5 HHBDLO C[C@H](NC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000520379893 1009516556 /nfs/dbraw/zinc/51/65/56/1009516556.db2.gz SXESIMJYTMVZLY-GOEBONIOSA-N 1 2 418.444 3.898 20 5 HHBDLO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000520379893 1009516566 /nfs/dbraw/zinc/51/65/66/1009516566.db2.gz SXESIMJYTMVZLY-GOEBONIOSA-N 1 2 418.444 3.898 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543949594 1009546123 /nfs/dbraw/zinc/54/61/23/1009546123.db2.gz QCSYIAXTTPRSCY-UZLBHIALSA-N 1 2 407.392 3.506 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543949594 1009546133 /nfs/dbraw/zinc/54/61/33/1009546133.db2.gz QCSYIAXTTPRSCY-UZLBHIALSA-N 1 2 407.392 3.506 20 5 HHBDLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccco1 ZINC000544449279 1010072087 /nfs/dbraw/zinc/07/20/87/1010072087.db2.gz MTWPYASKNWGXAA-SWLSCSKDSA-N 1 2 416.459 3.616 20 5 HHBDLO CC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1nc(C(F)(F)F)cs1 ZINC000544457748 1010081075 /nfs/dbraw/zinc/08/10/75/1010081075.db2.gz WOMJNBMCLFBQIV-GFCCVEGCSA-N 1 2 414.409 3.700 20 5 HHBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)c1 ZINC000544622452 1010246220 /nfs/dbraw/zinc/24/62/20/1010246220.db2.gz AWUSVPYPEPRLNX-UHFFFAOYSA-N 1 2 400.460 3.777 20 5 HHBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCCSCc2ccccc2)CC1 ZINC000536380075 1011588947 /nfs/dbraw/zinc/58/89/47/1011588947.db2.gz ZSBZSFBOLFOKFU-UHFFFAOYSA-N 1 2 405.545 3.738 20 5 HHBDLO CCc1nnc([C@@H](C)[NH2+]Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)[nH]1 ZINC000536496283 1011704092 /nfs/dbraw/zinc/70/40/92/1011704092.db2.gz FKMZSOIPQBHWRF-CQSZACIVSA-N 1 2 411.462 3.714 20 5 HHBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ncc(-c2ccccc2)o1 ZINC000523545775 1012078963 /nfs/dbraw/zinc/07/89/63/1012078963.db2.gz RONARVSTDAQPIC-AWEZNQCLSA-N 1 2 403.398 3.927 20 5 HHBDLO CN(C)[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000552252688 1012262941 /nfs/dbraw/zinc/26/29/41/1012262941.db2.gz TYNUFOOEWNQTAS-QUCCMNQESA-N 1 2 415.444 3.588 20 5 HHBDLO COCc1ccccc1/C=C(\C)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000552415225 1012430523 /nfs/dbraw/zinc/43/05/23/1012430523.db2.gz YKAIDEQOSGELSZ-OBGWFSINSA-N 1 2 409.486 3.603 20 5 HHBDLO COc1ccc2cc(C[NH+]3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)ccc2c1 ZINC000552415865 1012431956 /nfs/dbraw/zinc/43/19/56/1012431956.db2.gz SWQUWPRAOHQOPG-UHFFFAOYSA-N 1 2 405.454 3.715 20 5 HHBDLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000541640576 1012458457 /nfs/dbraw/zinc/45/84/57/1012458457.db2.gz XOXZWSKFCQWUOX-MRXNPFEDSA-N 1 2 415.465 3.581 20 5 HHBDLO CC1(C)C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CCO1 ZINC000541676278 1012506844 /nfs/dbraw/zinc/50/68/44/1012506844.db2.gz NCZVXJUFYPITCD-UHFFFAOYSA-N 1 2 421.563 3.718 20 5 HHBDLO CC1(C)C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CCO1 ZINC000541676278 1012506864 /nfs/dbraw/zinc/50/68/64/1012506864.db2.gz NCZVXJUFYPITCD-UHFFFAOYSA-N 1 2 421.563 3.718 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000552521507 1012539568 /nfs/dbraw/zinc/53/95/68/1012539568.db2.gz IYAXJNHXCIPQPZ-UHFFFAOYSA-N 1 2 412.421 3.611 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000552521507 1012539583 /nfs/dbraw/zinc/53/95/83/1012539583.db2.gz IYAXJNHXCIPQPZ-UHFFFAOYSA-N 1 2 412.421 3.611 20 5 HHBDLO Nc1nc(N2CC[NH+]([C@@H](c3ccccc3)c3ccccc3Cl)CC2)ncc1[N+](=O)[O-] ZINC000524161399 1012954242 /nfs/dbraw/zinc/95/42/42/1012954242.db2.gz XAKZQAKZROUPMR-IBGZPJMESA-N 1 2 424.892 3.532 20 5 HHBDLO CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001127024579 1072033921 /nfs/dbraw/zinc/03/39/21/1072033921.db2.gz HZQKYWDLHBGKDV-SFHVURJKSA-N 1 2 422.441 3.547 20 5 HHBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000588071922 1072779124 /nfs/dbraw/zinc/77/91/24/1072779124.db2.gz ZSCXZEDOQZGJDD-UHFFFAOYSA-N 1 2 403.851 3.619 20 5 HHBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000555075394 1073137429 /nfs/dbraw/zinc/13/74/29/1073137429.db2.gz ZNNFIZUHNPYYGU-FQEVSTJZSA-N 1 2 403.385 3.603 20 5 HHBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000555075394 1073137433 /nfs/dbraw/zinc/13/74/33/1073137433.db2.gz ZNNFIZUHNPYYGU-FQEVSTJZSA-N 1 2 403.385 3.603 20 5 HHBDLO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(-n2cccn2)c(F)c1 ZINC000590190275 1073635615 /nfs/dbraw/zinc/63/56/15/1073635615.db2.gz PAUITKNZGSHXPA-CYBMUJFWSA-N 1 2 408.393 3.820 20 5 HHBDLO CSc1ccc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cc1[N+](=O)[O-] ZINC000590544750 1073887848 /nfs/dbraw/zinc/88/78/48/1073887848.db2.gz PIDHBAZHKNRCTA-UHFFFAOYSA-N 1 2 406.533 3.551 20 5 HHBDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000760845312 1074438486 /nfs/dbraw/zinc/43/84/86/1074438486.db2.gz WISKDJYYECHWDW-QGZVFWFLSA-N 1 2 402.451 3.691 20 5 HHBDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000760845312 1074438492 /nfs/dbraw/zinc/43/84/92/1074438492.db2.gz WISKDJYYECHWDW-QGZVFWFLSA-N 1 2 402.451 3.691 20 5 HHBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc3ccc4cccnc4c3n1)C2 ZINC001165010792 721699065 /nfs/dbraw/zinc/69/90/65/721699065.db2.gz MKHHYEGRUAFSDA-UHFFFAOYSA-N 1 2 401.518 3.625 20 5 HHBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc3ccc4cccnc4c3n1)C2 ZINC001165010792 721699068 /nfs/dbraw/zinc/69/90/68/721699068.db2.gz MKHHYEGRUAFSDA-UHFFFAOYSA-N 1 2 401.518 3.625 20 5 HHBDLO Cc1cc(N2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)nc(C(C)C)[nH+]1 ZINC000301353825 970884084 /nfs/dbraw/zinc/88/40/84/970884084.db2.gz LDKKYQDWDZQOAV-UHFFFAOYSA-N 1 2 407.421 3.745 20 5 HHBDLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000302796336 971322056 /nfs/dbraw/zinc/32/20/56/971322056.db2.gz PSWYIVIAHFZYQM-HNNXBMFYSA-N 1 2 421.457 3.714 20 5 HHBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542167887 1013104814 /nfs/dbraw/zinc/10/48/14/1013104814.db2.gz CVTGOTTZRZYVDA-UHFFFAOYSA-N 1 2 420.897 3.933 20 5 HHBDLO COc1cc(CN[C@H]2C[N@H+](C)Cc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000537611428 1013152844 /nfs/dbraw/zinc/15/28/44/1013152844.db2.gz KCFJFHMVIYUYPL-INIZCTEOSA-N 1 2 407.417 3.524 20 5 HHBDLO COc1cc(CN[C@H]2C[N@@H+](C)Cc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000537611428 1013152851 /nfs/dbraw/zinc/15/28/51/1013152851.db2.gz KCFJFHMVIYUYPL-INIZCTEOSA-N 1 2 407.417 3.524 20 5 HHBDLO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000007927347 961374294 /nfs/dbraw/zinc/37/42/94/961374294.db2.gz YJLKWIMFWBMLML-AWEZNQCLSA-N 1 2 409.895 3.929 20 5 HHBDLO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000007927347 961374300 /nfs/dbraw/zinc/37/43/00/961374300.db2.gz YJLKWIMFWBMLML-AWEZNQCLSA-N 1 2 409.895 3.929 20 5 HHBDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000553407139 1013333491 /nfs/dbraw/zinc/33/34/91/1013333491.db2.gz YXVODTUUYLCZDX-CYBMUJFWSA-N 1 2 413.865 3.780 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@H+](C)CCOc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000015103342 962662247 /nfs/dbraw/zinc/66/22/47/962662247.db2.gz FYNXRHNTZAYXLT-UHFFFAOYSA-N 1 2 407.854 3.596 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@@H+](C)CCOc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000015103342 962662253 /nfs/dbraw/zinc/66/22/53/962662253.db2.gz FYNXRHNTZAYXLT-UHFFFAOYSA-N 1 2 407.854 3.596 20 5 HHBDLO O=C(C[NH+]1CCC([C@H](O)c2ccccc2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000026116431 964452808 /nfs/dbraw/zinc/45/28/08/964452808.db2.gz LGXKXTACLGSFHK-HXUWFJFHSA-N 1 2 403.866 3.632 20 5 HHBDLO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000028415964 965098273 /nfs/dbraw/zinc/09/82/73/965098273.db2.gz XHDRZUNRDQEFMF-SFHVURJKSA-N 1 2 421.856 3.719 20 5 HHBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000054433916 965515214 /nfs/dbraw/zinc/51/52/14/965515214.db2.gz KRGWDEPRYSZBKN-CALCHBBNSA-N 1 2 412.490 3.568 20 5 HHBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000054433916 965515232 /nfs/dbraw/zinc/51/52/32/965515232.db2.gz KRGWDEPRYSZBKN-CALCHBBNSA-N 1 2 412.490 3.568 20 5 HHBDLO COc1ccc(C[N@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC(F)F ZINC000054462671 965525809 /nfs/dbraw/zinc/52/58/09/965525809.db2.gz ZPIXJCDIPYOFDR-UHFFFAOYSA-N 1 2 419.388 3.553 20 5 HHBDLO COc1ccc(C[N@@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC(F)F ZINC000054462671 965525815 /nfs/dbraw/zinc/52/58/15/965525815.db2.gz ZPIXJCDIPYOFDR-UHFFFAOYSA-N 1 2 419.388 3.553 20 5 HHBDLO CC(C)(C)c1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000029928015 965563234 /nfs/dbraw/zinc/56/32/34/965563234.db2.gz GHZSZHSZIXRYJK-UHFFFAOYSA-N 1 2 411.502 3.729 20 5 HHBDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1C ZINC000058631145 965817907 /nfs/dbraw/zinc/81/79/07/965817907.db2.gz OLKDTCDKXGNPMJ-UHFFFAOYSA-N 1 2 410.377 3.881 20 5 HHBDLO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000030912452 965830865 /nfs/dbraw/zinc/83/08/65/965830865.db2.gz QCHHORCMQQSVSU-LJQANCHMSA-N 1 2 410.518 3.543 20 5 HHBDLO O=C(NCCCSc1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032154424 966196266 /nfs/dbraw/zinc/19/62/66/966196266.db2.gz WYKVAPFUNJFVAJ-UHFFFAOYSA-N 1 2 400.435 3.832 20 5 HHBDLO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000032235721 966202392 /nfs/dbraw/zinc/20/23/92/966202392.db2.gz DWFQPSKZTASUMQ-UHFFFAOYSA-N 1 2 415.453 3.582 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000056148759 966233878 /nfs/dbraw/zinc/23/38/78/966233878.db2.gz YVQQOAHJMCFZLQ-IBGZPJMESA-N 1 2 406.442 3.602 20 5 HHBDLO COc1ccc([C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1OC ZINC000033242468 966403436 /nfs/dbraw/zinc/40/34/36/966403436.db2.gz AQCBAHLSLWEOAO-KRWDZBQOSA-N 1 2 422.441 3.775 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CS(=O)(=O)c4ccccc43)s2)cc1 ZINC000553917897 1013699819 /nfs/dbraw/zinc/69/98/19/1013699819.db2.gz XVTGINCCLIDIQI-KRWDZBQOSA-N 1 2 400.481 3.942 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000065087767 967371238 /nfs/dbraw/zinc/37/12/38/967371238.db2.gz IOHWUIUTTHZJGK-UHFFFAOYSA-N 1 2 416.441 3.677 20 5 HHBDLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000065227618 967413979 /nfs/dbraw/zinc/41/39/79/967413979.db2.gz KTXZIRGMDHWRTP-UHFFFAOYSA-N 1 2 406.442 3.646 20 5 HHBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000045931982 967598612 /nfs/dbraw/zinc/59/86/12/967598612.db2.gz OJZBFOLWDMOPQP-UHFFFAOYSA-N 1 2 414.462 3.749 20 5 HHBDLO Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000047493023 968211926 /nfs/dbraw/zinc/21/19/26/968211926.db2.gz DLLGURNHVZDICR-UHFFFAOYSA-N 1 2 402.414 3.835 20 5 HHBDLO Cc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2I)c(C)[nH+]1 ZINC000097293840 969118026 /nfs/dbraw/zinc/11/80/26/969118026.db2.gz VIRIJBIQFCCCNJ-UHFFFAOYSA-N 1 2 411.199 3.772 20 5 HHBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000109000588 969446789 /nfs/dbraw/zinc/44/67/89/969446789.db2.gz FSYHCVLSOBMVKG-HNNXBMFYSA-N 1 2 401.488 3.546 20 5 HHBDLO Cc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000110232874 969640968 /nfs/dbraw/zinc/64/09/68/969640968.db2.gz QWUDJBFGXMPXKU-UHFFFAOYSA-N 1 2 401.766 3.903 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1CNCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000236854056 970180650 /nfs/dbraw/zinc/18/06/50/970180650.db2.gz VYBSOSNSTMBCPS-QZTJIDSGSA-N 1 2 413.518 3.893 20 5 HHBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000247331743 970471605 /nfs/dbraw/zinc/47/16/05/970471605.db2.gz PBRYSGFGXMCKRX-YVMONPNESA-N 1 2 408.502 3.645 20 5 HHBDLO COc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000425985555 974097142 /nfs/dbraw/zinc/09/71/42/974097142.db2.gz RLRWGFPLKUEEAW-GHTZIAJQSA-N 1 2 421.457 3.528 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000427512058 975154211 /nfs/dbraw/zinc/15/42/11/975154211.db2.gz QJZAOEWSOUZFEE-UHFFFAOYSA-N 1 2 403.866 3.605 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000427512058 975154215 /nfs/dbraw/zinc/15/42/15/975154215.db2.gz QJZAOEWSOUZFEE-UHFFFAOYSA-N 1 2 403.866 3.605 20 5 HHBDLO Cc1ccc(S(=O)(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)c([N+](=O)[O-])c1 ZINC000427638725 975220186 /nfs/dbraw/zinc/22/01/86/975220186.db2.gz MODXALJPMQNLEV-UHFFFAOYSA-N 1 2 424.482 3.662 20 5 HHBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c(C)c1 ZINC000430803109 977766095 /nfs/dbraw/zinc/76/60/95/977766095.db2.gz QDLPYTPFQHOCAH-FQEVSTJZSA-N 1 2 408.458 3.653 20 5 HHBDLO C[C@@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430864789 977825415 /nfs/dbraw/zinc/82/54/15/977825415.db2.gz ADQWMOMFEUEZAX-STXHMFSFSA-N 1 2 403.504 3.877 20 5 HHBDLO C[C@@H]1C[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430864789 977825423 /nfs/dbraw/zinc/82/54/23/977825423.db2.gz ADQWMOMFEUEZAX-STXHMFSFSA-N 1 2 403.504 3.877 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000434895614 980475853 /nfs/dbraw/zinc/47/58/53/980475853.db2.gz MNABQIFFQZFDNP-HNNXBMFYSA-N 1 2 405.495 3.602 20 5 HHBDLO Cc1c(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435322926 980781358 /nfs/dbraw/zinc/78/13/58/980781358.db2.gz IFRNKUXPSBBJEY-GFCCVEGCSA-N 1 2 422.283 3.811 20 5 HHBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000436014678 981156168 /nfs/dbraw/zinc/15/61/68/981156168.db2.gz FXBLEWULMGADAB-UHFFFAOYSA-N 1 2 416.840 3.855 20 5 HHBDLO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000436017914 981158284 /nfs/dbraw/zinc/15/82/84/981158284.db2.gz IKSKMLJAYPRFRS-UHFFFAOYSA-N 1 2 424.848 3.664 20 5 HHBDLO CC1CCC(N(C[C@H]2CCCO2)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000460578441 982362828 /nfs/dbraw/zinc/36/28/28/982362828.db2.gz RXUGBAUBJVASPP-NKELODKYSA-N 1 2 412.490 3.980 20 5 HHBDLO CC(C)c1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000438963055 983181031 /nfs/dbraw/zinc/18/10/31/983181031.db2.gz DOXFPXNMYPMZNQ-UHFFFAOYSA-N 1 2 424.501 3.551 20 5 HHBDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000439775133 983533739 /nfs/dbraw/zinc/53/37/39/983533739.db2.gz MQASOKQUGLYNGA-AOMKIAJQSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000439775133 983533741 /nfs/dbraw/zinc/53/37/41/983533741.db2.gz MQASOKQUGLYNGA-AOMKIAJQSA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000439780458 983536125 /nfs/dbraw/zinc/53/61/25/983536125.db2.gz IWJXMRJHNRHRTP-KDOFPFPSSA-N 1 2 402.520 3.732 20 5 HHBDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000439780458 983536128 /nfs/dbraw/zinc/53/61/28/983536128.db2.gz IWJXMRJHNRHRTP-KDOFPFPSSA-N 1 2 402.520 3.732 20 5 HHBDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000439795953 983542726 /nfs/dbraw/zinc/54/27/26/983542726.db2.gz VWONQUUQDAFVSP-VGSWGCGISA-N 1 2 410.518 3.979 20 5 HHBDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000439795953 983542729 /nfs/dbraw/zinc/54/27/29/983542729.db2.gz VWONQUUQDAFVSP-VGSWGCGISA-N 1 2 410.518 3.979 20 5 HHBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000439888828 983571721 /nfs/dbraw/zinc/57/17/21/983571721.db2.gz QHQPTVVQIKNBPT-UHFFFAOYSA-N 1 2 409.446 3.603 20 5 HHBDLO Cc1ccnc(Oc2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cc2)n1 ZINC000440817380 983919811 /nfs/dbraw/zinc/91/98/11/983919811.db2.gz GMBBIWOPSVSKLE-UHFFFAOYSA-N 1 2 416.397 3.924 20 5 HHBDLO CCOc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000441494020 984285668 /nfs/dbraw/zinc/28/56/68/984285668.db2.gz UXDOTIVGOIBEGD-LJQANCHMSA-N 1 2 408.458 3.978 20 5 HHBDLO CCOC(=O)c1ccnc(N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000463070230 986026567 /nfs/dbraw/zinc/02/65/67/986026567.db2.gz NUFGRKXMIULNNJ-AWEZNQCLSA-N 1 2 418.881 3.703 20 5 HHBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463153454 986124231 /nfs/dbraw/zinc/12/42/31/986124231.db2.gz VTWLKUYVRJPFDO-UHFFFAOYSA-N 1 2 408.311 3.868 20 5 HHBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000444045530 986243519 /nfs/dbraw/zinc/24/35/19/986243519.db2.gz VTVJSELMVJERCY-UHFFFAOYSA-N 1 2 421.544 3.561 20 5 HHBDLO COc1cc(C[N@H+](C)Cc2ccc(OC)c(OC(F)F)c2)c([N+](=O)[O-])cc1F ZINC000463488191 986463898 /nfs/dbraw/zinc/46/38/98/986463898.db2.gz BKSNQHLQIIFYGD-UHFFFAOYSA-N 1 2 400.353 3.985 20 5 HHBDLO COc1cc(C[N@@H+](C)Cc2ccc(OC)c(OC(F)F)c2)c([N+](=O)[O-])cc1F ZINC000463488191 986463905 /nfs/dbraw/zinc/46/39/05/986463905.db2.gz BKSNQHLQIIFYGD-UHFFFAOYSA-N 1 2 400.353 3.985 20 5 HHBDLO COc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000444332091 986510417 /nfs/dbraw/zinc/51/04/17/986510417.db2.gz YIJSUVIWTJUZGK-RDJZCZTQSA-N 1 2 407.829 3.571 20 5 HHBDLO COc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000444332091 986510419 /nfs/dbraw/zinc/51/04/19/986510419.db2.gz YIJSUVIWTJUZGK-RDJZCZTQSA-N 1 2 407.829 3.571 20 5 HHBDLO Cc1ccc2c(CCNC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cn(C)c2c1 ZINC000444530415 986717126 /nfs/dbraw/zinc/71/71/26/986717126.db2.gz YRBMWWRZBQVPKT-UHFFFAOYSA-N 1 2 403.442 3.553 20 5 HHBDLO CN(c1ccccc1)c1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000463746022 986734675 /nfs/dbraw/zinc/73/46/75/986734675.db2.gz DSDIKDWUQCRUTO-OAQYLSRUSA-N 1 2 408.433 3.818 20 5 HHBDLO COc1cc(N[C@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)cc(OC)c1 ZINC000444664327 986847936 /nfs/dbraw/zinc/84/79/36/986847936.db2.gz NKMOVHCXCCEXFX-AWEZNQCLSA-N 1 2 411.462 3.565 20 5 HHBDLO COc1cc(N[C@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)cc(OC)c1 ZINC000444664327 986847946 /nfs/dbraw/zinc/84/79/46/986847946.db2.gz NKMOVHCXCCEXFX-AWEZNQCLSA-N 1 2 411.462 3.565 20 5 HHBDLO COc1ccc(NC(=O)C[NH+]2CCC(c3nc4cccc(C)c4o3)CC2)c([N+](=O)[O-])c1 ZINC000444787575 986944126 /nfs/dbraw/zinc/94/41/26/986944126.db2.gz XNVPNKFTDXJXIP-UHFFFAOYSA-N 1 2 424.457 3.871 20 5 HHBDLO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444833219 986990611 /nfs/dbraw/zinc/99/06/11/986990611.db2.gz IEJDEFBVVSLPFK-HXUWFJFHSA-N 1 2 401.466 3.841 20 5 HHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000444935883 987080506 /nfs/dbraw/zinc/08/05/06/987080506.db2.gz HYYBLOFHDJIMKI-ICSRJNTNSA-N 1 2 407.430 3.850 20 5 HHBDLO CC1CCN(c2ccc(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc2[N+](=O)[O-])CC1 ZINC000469396786 987094466 /nfs/dbraw/zinc/09/44/66/987094466.db2.gz BTGYRHKBKLUJOF-UWJYYQICSA-N 1 2 411.506 3.751 20 5 HHBDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000470151531 988061370 /nfs/dbraw/zinc/06/13/70/988061370.db2.gz IOOXADIDOOCHSV-ZWKOTPCHSA-N 1 2 422.844 3.581 20 5 HHBDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000470151531 988061385 /nfs/dbraw/zinc/06/13/85/988061385.db2.gz IOOXADIDOOCHSV-ZWKOTPCHSA-N 1 2 422.844 3.581 20 5 HHBDLO CCc1ccccc1NC(=O)CN1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470178983 988095689 /nfs/dbraw/zinc/09/56/89/988095689.db2.gz QOCNPTQXYTZNME-XDJHFCHBSA-N 1 2 422.529 3.817 20 5 HHBDLO CC(C)OCC[NH+]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000470213021 988137925 /nfs/dbraw/zinc/13/79/25/988137925.db2.gz DLGZPNWJCXNBCW-UHFFFAOYSA-N 1 2 412.490 3.521 20 5 HHBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000470219017 988146560 /nfs/dbraw/zinc/14/65/60/988146560.db2.gz QPCHOFQFIOGMFG-FMIVXFBMSA-N 1 2 413.425 3.691 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H](OCc4ccccc4F)C3)n2)cc1 ZINC000470924487 988998363 /nfs/dbraw/zinc/99/83/63/988998363.db2.gz XHEDHIDMQRTZAJ-SFHVURJKSA-N 1 2 412.421 3.965 20 5 HHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H](OCc4ccccc4F)C3)n2)cc1 ZINC000470924487 988998372 /nfs/dbraw/zinc/99/83/72/988998372.db2.gz XHEDHIDMQRTZAJ-SFHVURJKSA-N 1 2 412.421 3.965 20 5 HHBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000466300394 991552009 /nfs/dbraw/zinc/55/20/09/991552009.db2.gz VELPLSHGOHLGFD-GOSISDBHSA-N 1 2 405.907 3.655 20 5 HHBDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000467051484 992360399 /nfs/dbraw/zinc/36/03/99/992360399.db2.gz PCRALEXWGVWCOB-UHFFFAOYSA-N 1 2 419.484 3.764 20 5 HHBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000483244021 996057009 /nfs/dbraw/zinc/05/70/09/996057009.db2.gz FIPKSOZVYOHNGE-CQSZACIVSA-N 1 2 411.487 3.547 20 5 HHBDLO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3ccn4cc[nH+]c4c3)cc2[N+](=O)[O-])C1 ZINC000475720337 996322722 /nfs/dbraw/zinc/32/27/22/996322722.db2.gz CCEXZDQVOYEHQN-HOTGVXAUSA-N 1 2 407.474 3.655 20 5 HHBDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476243386 996701938 /nfs/dbraw/zinc/70/19/38/996701938.db2.gz GAGAVSCSJGRCSB-UHFFFAOYSA-N 1 2 424.457 3.628 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000484346888 996718256 /nfs/dbraw/zinc/71/82/56/996718256.db2.gz ZQEAVGRWWWUQRE-ABAIWWIYSA-N 1 2 403.401 3.841 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000484346888 996718262 /nfs/dbraw/zinc/71/82/62/996718262.db2.gz ZQEAVGRWWWUQRE-ABAIWWIYSA-N 1 2 403.401 3.841 20 5 HHBDLO CCc1ccc([C@H]2C[N@H+](CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)CCO2)cc1 ZINC000484352400 996722485 /nfs/dbraw/zinc/72/24/85/996722485.db2.gz PZOPCRVMUYLUDW-OAQYLSRUSA-N 1 2 411.458 3.529 20 5 HHBDLO CCc1ccc([C@H]2C[N@@H+](CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)CCO2)cc1 ZINC000484352400 996722493 /nfs/dbraw/zinc/72/24/93/996722493.db2.gz PZOPCRVMUYLUDW-OAQYLSRUSA-N 1 2 411.458 3.529 20 5 HHBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000476573035 997071025 /nfs/dbraw/zinc/07/10/25/997071025.db2.gz AJARAHTXAVGHRT-AEFFLSMTSA-N 1 2 421.856 3.961 20 5 HHBDLO CC[N@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000476573035 997071034 /nfs/dbraw/zinc/07/10/34/997071034.db2.gz AJARAHTXAVGHRT-AEFFLSMTSA-N 1 2 421.856 3.961 20 5 HHBDLO CC1(C)C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2ccc(F)cc2O1 ZINC000484868437 997232739 /nfs/dbraw/zinc/23/27/39/997232739.db2.gz YQVUKXYEARQESG-INIZCTEOSA-N 1 2 410.405 3.952 20 5 HHBDLO Cc1ccc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000485411028 997843596 /nfs/dbraw/zinc/84/35/96/997843596.db2.gz SEBKKKZNDTUERV-UHFFFAOYSA-N 1 2 404.430 3.792 20 5 HHBDLO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000479784388 999590768 /nfs/dbraw/zinc/59/07/68/999590768.db2.gz OMUJKIDNWMSJBO-VIZZQPHQSA-N 1 2 418.444 3.987 20 5 HHBDLO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000479784388 999590770 /nfs/dbraw/zinc/59/07/70/999590770.db2.gz OMUJKIDNWMSJBO-VIZZQPHQSA-N 1 2 418.444 3.987 20 5 HHBDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000490080689 999890185 /nfs/dbraw/zinc/89/01/85/999890185.db2.gz POYKFZWKRUFTCG-KRWDZBQOSA-N 1 2 407.854 3.515 20 5 HHBDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000490080689 999890187 /nfs/dbraw/zinc/89/01/87/999890187.db2.gz POYKFZWKRUFTCG-KRWDZBQOSA-N 1 2 407.854 3.515 20 5 HHBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000490795423 1000007145 /nfs/dbraw/zinc/00/71/45/1000007145.db2.gz OZQLIKBIMQEYAU-UHFFFAOYSA-N 1 2 404.470 3.625 20 5 HHBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000490795423 1000007146 /nfs/dbraw/zinc/00/71/46/1000007146.db2.gz OZQLIKBIMQEYAU-UHFFFAOYSA-N 1 2 404.470 3.625 20 5 HHBDLO CCOc1cc(C[NH+]2CCN(c3ccnc(-c4ccccc4)n3)CC2)ccc1[N+](=O)[O-] ZINC000492514222 1000130197 /nfs/dbraw/zinc/13/01/97/1000130197.db2.gz NFTXLRGZAZNVIP-UHFFFAOYSA-N 1 2 419.485 3.773 20 5 HHBDLO CCOc1cc(C[N@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)ccc1[N+](=O)[O-] ZINC000492794871 1000144667 /nfs/dbraw/zinc/14/46/67/1000144667.db2.gz XPTFKCCBEKQCBK-GOSISDBHSA-N 1 2 403.866 3.884 20 5 HHBDLO CCOc1cc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)ccc1[N+](=O)[O-] ZINC000492794871 1000144668 /nfs/dbraw/zinc/14/46/68/1000144668.db2.gz XPTFKCCBEKQCBK-GOSISDBHSA-N 1 2 403.866 3.884 20 5 HHBDLO C[C@](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)(c1ccccc1)C(F)(F)F ZINC000504549554 1000264794 /nfs/dbraw/zinc/26/47/94/1000264794.db2.gz VHWOAFFFDKXURY-SFHVURJKSA-N 1 2 404.348 3.988 20 5 HHBDLO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000494111922 1000313703 /nfs/dbraw/zinc/31/37/03/1000313703.db2.gz PEWDMLHPPVBSGY-YJBOKZPZSA-N 1 2 421.448 3.502 20 5 HHBDLO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000494111922 1000313710 /nfs/dbraw/zinc/31/37/10/1000313710.db2.gz PEWDMLHPPVBSGY-YJBOKZPZSA-N 1 2 421.448 3.502 20 5 HHBDLO Cc1cc(N)nc(S[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)[nH+]1 ZINC000494554339 1000552546 /nfs/dbraw/zinc/55/25/46/1000552546.db2.gz VCUFKOYZQMYLQJ-SNVBAGLBSA-N 1 2 416.488 3.518 20 5 HHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000505114543 1000557501 /nfs/dbraw/zinc/55/75/01/1000557501.db2.gz ODEXBMYHZRPGOM-IBGZPJMESA-N 1 2 412.833 3.648 20 5 HHBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000505150634 1000579558 /nfs/dbraw/zinc/57/95/58/1000579558.db2.gz KKRWMATVKCXOTE-QGZVFWFLSA-N 1 2 411.506 3.726 20 5 HHBDLO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000505461170 1000789866 /nfs/dbraw/zinc/78/98/66/1000789866.db2.gz QCIHPVDFSUUCQW-HXUWFJFHSA-N 1 2 403.442 3.520 20 5 HHBDLO CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000505766015 1001012254 /nfs/dbraw/zinc/01/22/54/1001012254.db2.gz KKBYZTLGONVNMF-UHFFFAOYSA-N 1 2 418.457 3.666 20 5 HHBDLO CC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000505766015 1001012259 /nfs/dbraw/zinc/01/22/59/1001012259.db2.gz KKBYZTLGONVNMF-UHFFFAOYSA-N 1 2 418.457 3.666 20 5 HHBDLO C[C@@H]1C[C@@H]1CNC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000505770365 1001014580 /nfs/dbraw/zinc/01/45/80/1001014580.db2.gz AQUASGLOCMTRNA-HZPDHXFCSA-N 1 2 414.531 3.807 20 5 HHBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(OC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000497421721 1001354739 /nfs/dbraw/zinc/35/47/39/1001354739.db2.gz YIHBLYNEKVNSRP-OAHLLOKOSA-N 1 2 405.495 3.744 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000497469915 1001383686 /nfs/dbraw/zinc/38/36/86/1001383686.db2.gz OUGRTZRGQHYMIB-IEBWSBKVSA-N 1 2 409.820 3.631 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000497469915 1001383692 /nfs/dbraw/zinc/38/36/92/1001383692.db2.gz OUGRTZRGQHYMIB-IEBWSBKVSA-N 1 2 409.820 3.631 20 5 HHBDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000497490215 1001397744 /nfs/dbraw/zinc/39/77/44/1001397744.db2.gz WTSOHQMVIOKCMZ-UYAOXDASSA-N 1 2 416.428 3.623 20 5 HHBDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000497490215 1001397750 /nfs/dbraw/zinc/39/77/50/1001397750.db2.gz WTSOHQMVIOKCMZ-UYAOXDASSA-N 1 2 416.428 3.623 20 5 HHBDLO C[N@@H+]1CC[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000497495297 1001401283 /nfs/dbraw/zinc/40/12/83/1001401283.db2.gz XRRFWFCYVKPHDE-PZJWPPBQSA-N 1 2 418.444 3.627 20 5 HHBDLO C[N@H+]1CC[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000497495297 1001401285 /nfs/dbraw/zinc/40/12/85/1001401285.db2.gz XRRFWFCYVKPHDE-PZJWPPBQSA-N 1 2 418.444 3.627 20 5 HHBDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000506649747 1001482843 /nfs/dbraw/zinc/48/28/43/1001482843.db2.gz UNQTWKZESOUOAW-HNNXBMFYSA-N 1 2 409.236 3.755 20 5 HHBDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000506649747 1001482849 /nfs/dbraw/zinc/48/28/49/1001482849.db2.gz UNQTWKZESOUOAW-HNNXBMFYSA-N 1 2 409.236 3.755 20 5 HHBDLO COc1ccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1O ZINC000506776699 1001524787 /nfs/dbraw/zinc/52/47/87/1001524787.db2.gz NCDSKIDIZNZVNA-UHFFFAOYSA-N 1 2 411.380 3.650 20 5 HHBDLO CCC[N@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000506790067 1001531136 /nfs/dbraw/zinc/53/11/36/1001531136.db2.gz YJMBGJITALLQRO-QGZVFWFLSA-N 1 2 422.478 3.925 20 5 HHBDLO CCC[N@@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000506790067 1001531141 /nfs/dbraw/zinc/53/11/41/1001531141.db2.gz YJMBGJITALLQRO-QGZVFWFLSA-N 1 2 422.478 3.925 20 5 HHBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC2)c1 ZINC000498268043 1001743323 /nfs/dbraw/zinc/74/33/23/1001743323.db2.gz LKNKTEPQDMFHIZ-INIZCTEOSA-N 1 2 420.469 3.671 20 5 HHBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507266916 1001950681 /nfs/dbraw/zinc/95/06/81/1001950681.db2.gz ZEQAQFQPNHJGIG-ORAYPTAESA-N 1 2 403.866 3.821 20 5 HHBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507266916 1001950688 /nfs/dbraw/zinc/95/06/88/1001950688.db2.gz ZEQAQFQPNHJGIG-ORAYPTAESA-N 1 2 403.866 3.821 20 5 HHBDLO Cc1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000499153843 1002538230 /nfs/dbraw/zinc/53/82/30/1002538230.db2.gz HTHRVZKZINPRMD-RTBURBONSA-N 1 2 418.881 3.750 20 5 HHBDLO Cc1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000499153843 1002538257 /nfs/dbraw/zinc/53/82/57/1002538257.db2.gz HTHRVZKZINPRMD-RTBURBONSA-N 1 2 418.881 3.750 20 5 HHBDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000508354587 1002855373 /nfs/dbraw/zinc/85/53/73/1002855373.db2.gz MJVRFQDDWULKDS-UHFFFAOYSA-N 1 2 413.455 3.702 20 5 HHBDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000508356517 1002856967 /nfs/dbraw/zinc/85/69/67/1002856967.db2.gz WXZKEDKLSDNXPG-UHFFFAOYSA-N 1 2 413.455 3.702 20 5 HHBDLO COCc1ccccc1/C=C(/C)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000508720749 1003160695 /nfs/dbraw/zinc/16/06/95/1003160695.db2.gz SKZKDIGZGSTMIA-SDXDJHTJSA-N 1 2 409.486 3.603 20 5 HHBDLO COc1cc(N[C@@H]2CCC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)cc(OC)c1 ZINC000508990004 1003462075 /nfs/dbraw/zinc/46/20/75/1003462075.db2.gz GTUWNNDSENWRLU-CYBMUJFWSA-N 1 2 407.417 3.967 20 5 HHBDLO COc1cc(N[C@@H]2CCC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)cc(OC)c1 ZINC000508990004 1003462082 /nfs/dbraw/zinc/46/20/82/1003462082.db2.gz GTUWNNDSENWRLU-CYBMUJFWSA-N 1 2 407.417 3.967 20 5 HHBDLO O=C(C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1)N1CCc2ccccc21 ZINC000509347953 1003721262 /nfs/dbraw/zinc/72/12/62/1003721262.db2.gz HPCNPDZFVMQKOA-UHFFFAOYSA-N 1 2 401.413 3.674 20 5 HHBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)c2)CC1 ZINC000501158684 1004242614 /nfs/dbraw/zinc/24/26/14/1004242614.db2.gz XLPIAMNQFVPFFQ-UHFFFAOYSA-N 1 2 410.518 3.892 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000501294261 1004336737 /nfs/dbraw/zinc/33/67/37/1004336737.db2.gz HHDPVSUSYLFVJL-UHFFFAOYSA-N 1 2 409.490 3.510 20 5 HHBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000501294463 1004336828 /nfs/dbraw/zinc/33/68/28/1004336828.db2.gz FBBHWVNCVKRELG-UHFFFAOYSA-N 1 2 423.517 3.513 20 5 HHBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000512695549 1004500142 /nfs/dbraw/zinc/50/01/42/1004500142.db2.gz MMWIAYCEUYWCJQ-LJQANCHMSA-N 1 2 417.469 3.611 20 5 HHBDLO COc1cccc(OC(F)(F)F)c1C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000513001432 1004753095 /nfs/dbraw/zinc/75/30/95/1004753095.db2.gz HEJKEAUKMUJQGM-UHFFFAOYSA-N 1 2 416.352 3.809 20 5 HHBDLO CN1C(=O)C[C@@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000510791247 1004854807 /nfs/dbraw/zinc/85/48/07/1004854807.db2.gz LCHWDWCCODUHSP-AEFFLSMTSA-N 1 2 413.783 3.727 20 5 HHBDLO COc1ccccc1O[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000513362005 1004926289 /nfs/dbraw/zinc/92/62/89/1004926289.db2.gz SQVHXRYAXZUTKJ-DLBZAZTESA-N 1 2 413.474 3.782 20 5 HHBDLO COc1ccccc1O[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000513362005 1004926291 /nfs/dbraw/zinc/92/62/91/1004926291.db2.gz SQVHXRYAXZUTKJ-DLBZAZTESA-N 1 2 413.474 3.782 20 5 HHBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000511127094 1005032783 /nfs/dbraw/zinc/03/27/83/1005032783.db2.gz UAOREZSKYDFNJH-UHFFFAOYSA-N 1 2 410.499 3.907 20 5 HHBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000511127094 1005032790 /nfs/dbraw/zinc/03/27/90/1005032790.db2.gz UAOREZSKYDFNJH-UHFFFAOYSA-N 1 2 410.499 3.907 20 5 HHBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000511171019 1005056827 /nfs/dbraw/zinc/05/68/27/1005056827.db2.gz PSARAIULTQTQQZ-GOSISDBHSA-N 1 2 417.469 3.611 20 5 HHBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513997843 1005220566 /nfs/dbraw/zinc/22/05/66/1005220566.db2.gz WMWQSNQFOQWZMX-LRDDRELGSA-N 1 2 424.284 3.842 20 5 HHBDLO Cc1cc(F)cc([C@@]2(F)CC[N@H+](CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000502876036 1005254206 /nfs/dbraw/zinc/25/42/06/1005254206.db2.gz OCKZQSDBLYYAIY-OAQYLSRUSA-N 1 2 417.412 3.911 20 5 HHBDLO Cc1cc(F)cc([C@@]2(F)CC[N@@H+](CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000502876036 1005254210 /nfs/dbraw/zinc/25/42/10/1005254210.db2.gz OCKZQSDBLYYAIY-OAQYLSRUSA-N 1 2 417.412 3.911 20 5 HHBDLO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1 ZINC000514091212 1005261132 /nfs/dbraw/zinc/26/11/32/1005261132.db2.gz YHARSJOFYFWQEU-LBPRGKRZSA-N 1 2 407.854 3.724 20 5 HHBDLO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1 ZINC000514091212 1005261136 /nfs/dbraw/zinc/26/11/36/1005261136.db2.gz YHARSJOFYFWQEU-LBPRGKRZSA-N 1 2 407.854 3.724 20 5 HHBDLO O=[N+]([O-])c1cccc(-c2nc(CNc3cccc(CN4CCOCC4)[nH+]3)cs2)c1 ZINC000503288773 1005384276 /nfs/dbraw/zinc/38/42/76/1005384276.db2.gz ZQLBSIYFBPWDSX-UHFFFAOYSA-N 1 2 411.487 3.558 20 5 HHBDLO CCc1nnc([C@H](C)[NH2+]Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)[nH]1 ZINC000534241668 1006248736 /nfs/dbraw/zinc/24/87/36/1006248736.db2.gz NJXTYCCEDWQPGE-AWEZNQCLSA-N 1 2 411.462 3.714 20 5 HHBDLO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1cc(Cl)cc(Cl)c1 ZINC000532472631 1006911979 /nfs/dbraw/zinc/91/19/79/1006911979.db2.gz KNEGOOKKMBTKDQ-UHFFFAOYSA-N 1 2 412.229 3.701 20 5 HHBDLO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1cc(Cl)cc(Cl)c1 ZINC000532472631 1006911991 /nfs/dbraw/zinc/91/19/91/1006911991.db2.gz KNEGOOKKMBTKDQ-UHFFFAOYSA-N 1 2 412.229 3.701 20 5 HHBDLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000538739620 1007022372 /nfs/dbraw/zinc/02/23/72/1007022372.db2.gz ISRXEOPAFNBZOL-MRXNPFEDSA-N 1 2 409.515 3.992 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])c1 ZINC000532644439 1007063887 /nfs/dbraw/zinc/06/38/87/1007063887.db2.gz QKDUSDNIAVJAQI-UHFFFAOYSA-N 1 2 421.457 3.598 20 5 HHBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])c1 ZINC000532644439 1007063897 /nfs/dbraw/zinc/06/38/97/1007063897.db2.gz QKDUSDNIAVJAQI-UHFFFAOYSA-N 1 2 421.457 3.598 20 5 HHBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000539019101 1007315772 /nfs/dbraw/zinc/31/57/72/1007315772.db2.gz VSBWPBZHFNOCFY-UHFFFAOYSA-N 1 2 402.882 3.883 20 5 HHBDLO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000533012190 1007375944 /nfs/dbraw/zinc/37/59/44/1007375944.db2.gz IUBDHBJOCPDEJI-SFHVURJKSA-N 1 2 411.487 3.832 20 5 HHBDLO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000533012190 1007375957 /nfs/dbraw/zinc/37/59/57/1007375957.db2.gz IUBDHBJOCPDEJI-SFHVURJKSA-N 1 2 411.487 3.832 20 5 HHBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000533262612 1007578259 /nfs/dbraw/zinc/57/82/59/1007578259.db2.gz DXVAXACQDKJCOW-CYBMUJFWSA-N 1 2 402.451 3.760 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])c1 ZINC000533343868 1007650927 /nfs/dbraw/zinc/65/09/27/1007650927.db2.gz XRIRKBWASLAVLU-AWEZNQCLSA-N 1 2 421.457 3.596 20 5 HHBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])c1 ZINC000533343868 1007650930 /nfs/dbraw/zinc/65/09/30/1007650930.db2.gz XRIRKBWASLAVLU-AWEZNQCLSA-N 1 2 421.457 3.596 20 5 HHBDLO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(Oc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000533436775 1007751725 /nfs/dbraw/zinc/75/17/25/1007751725.db2.gz RIFSBPANKAIJHO-OAHLLOKOSA-N 1 2 401.438 3.913 20 5 HHBDLO O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000517675615 1007890526 /nfs/dbraw/zinc/89/05/26/1007890526.db2.gz BRGOYMVKNDLLSO-ZDUSSCGKSA-N 1 2 414.412 3.749 20 5 HHBDLO O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000517675615 1007890536 /nfs/dbraw/zinc/89/05/36/1007890536.db2.gz BRGOYMVKNDLLSO-ZDUSSCGKSA-N 1 2 414.412 3.749 20 5 HHBDLO Cc1ccc(Sc2ccc(C[N@H+](C)C[C@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])cc1 ZINC000539817564 1008111473 /nfs/dbraw/zinc/11/14/73/1008111473.db2.gz LABRZSHCIKKUND-QGZVFWFLSA-N 1 2 420.556 3.921 20 5 HHBDLO Cc1ccc(Sc2ccc(C[N@@H+](C)C[C@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])cc1 ZINC000539817564 1008111478 /nfs/dbraw/zinc/11/14/78/1008111478.db2.gz LABRZSHCIKKUND-QGZVFWFLSA-N 1 2 420.556 3.921 20 5 HHBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)n2)C1 ZINC000533876533 1008174636 /nfs/dbraw/zinc/17/46/36/1008174636.db2.gz PEBSNPNNLPTQLF-CQSZACIVSA-N 1 2 415.519 3.873 20 5 HHBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)n2)C1 ZINC000533876533 1008174640 /nfs/dbraw/zinc/17/46/40/1008174640.db2.gz PEBSNPNNLPTQLF-CQSZACIVSA-N 1 2 415.519 3.873 20 5 HHBDLO COc1ccc(C[NH2+][C@H](C)c2nnn(-c3cccc(Cl)c3)c2C)cc1[N+](=O)[O-] ZINC000540171243 1008321135 /nfs/dbraw/zinc/32/11/35/1008321135.db2.gz PJLZQXZGBLFPGV-GFCCVEGCSA-N 1 2 401.854 3.997 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000540226170 1008343575 /nfs/dbraw/zinc/34/35/75/1008343575.db2.gz SOHHGSXTFZJXQV-WMLDXEAASA-N 1 2 423.876 3.799 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000540226170 1008343576 /nfs/dbraw/zinc/34/35/76/1008343576.db2.gz SOHHGSXTFZJXQV-WMLDXEAASA-N 1 2 423.876 3.799 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540226699 1008343895 /nfs/dbraw/zinc/34/38/95/1008343895.db2.gz ZKFCHYCKZYYLEO-ICSRJNTNSA-N 1 2 405.857 3.882 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540226699 1008343898 /nfs/dbraw/zinc/34/38/98/1008343898.db2.gz ZKFCHYCKZYYLEO-ICSRJNTNSA-N 1 2 405.857 3.882 20 5 HHBDLO Cc1cccn2cc(Cc3noc(-c4ccc([N+](=O)[O-])cc4Br)n3)[nH+]c12 ZINC000545678664 1008771163 /nfs/dbraw/zinc/77/11/63/1008771163.db2.gz JQBULWVIXHEGRD-UHFFFAOYSA-N 1 2 414.219 3.954 20 5 HHBDLO COc1ccc(C[C@@H]2CCCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C2)cc1 ZINC000519849010 1009031032 /nfs/dbraw/zinc/03/10/32/1009031032.db2.gz HJNBHXOOEKVXJO-SFHVURJKSA-N 1 2 420.469 3.884 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000543544275 1009139366 /nfs/dbraw/zinc/13/93/66/1009139366.db2.gz JZAPWIBVVZWSLJ-OAHLLOKOSA-N 1 2 409.446 3.556 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000543630426 1009236537 /nfs/dbraw/zinc/23/65/37/1009236537.db2.gz VONTVRSGRAVWJX-HNNXBMFYSA-N 1 2 413.503 3.894 20 5 HHBDLO O=c1cc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000546399739 1009412219 /nfs/dbraw/zinc/41/22/19/1009412219.db2.gz NTNSDNWBMWTFJK-UHFFFAOYSA-N 1 2 400.354 3.751 20 5 HHBDLO C[C@H](Nc1ccc(-c2nc(Cc3c[nH+]cn3C)no2)cc1[N+](=O)[O-])c1ccccn1 ZINC000546551093 1009573100 /nfs/dbraw/zinc/57/31/00/1009573100.db2.gz UHPQQARSBZZXMO-ZDUSSCGKSA-N 1 2 405.418 3.537 20 5 HHBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](O)CC1 ZINC000550157603 1009738966 /nfs/dbraw/zinc/73/89/66/1009738966.db2.gz ARNZJZHVWBGWTC-VQIMIIECSA-N 1 2 403.866 3.775 20 5 HHBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](O)CC1 ZINC000550157603 1009738977 /nfs/dbraw/zinc/73/89/77/1009738977.db2.gz ARNZJZHVWBGWTC-VQIMIIECSA-N 1 2 403.866 3.775 20 5 HHBDLO CC(C)(C)c1nc(CN2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000520843885 1009898535 /nfs/dbraw/zinc/89/85/35/1009898535.db2.gz QOEGEJXWGSFVIP-UHFFFAOYSA-N 1 2 404.536 3.545 20 5 HHBDLO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000544657219 1010277914 /nfs/dbraw/zinc/27/79/14/1010277914.db2.gz QDBKRDWADASMFA-SYURPWHHSA-N 1 2 407.392 3.677 20 5 HHBDLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000544657219 1010277918 /nfs/dbraw/zinc/27/79/18/1010277918.db2.gz QDBKRDWADASMFA-SYURPWHHSA-N 1 2 407.392 3.677 20 5 HHBDLO CC1CCN(c2ccc(C(=O)NCCCCNc3cccc[nH+]3)cc2[N+](=O)[O-])CC1 ZINC000521859190 1010667550 /nfs/dbraw/zinc/66/75/50/1010667550.db2.gz JWCRUZMAQLADQI-UHFFFAOYSA-N 1 2 411.506 3.848 20 5 HHBDLO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000522238202 1010882422 /nfs/dbraw/zinc/88/24/22/1010882422.db2.gz TZAVCNXXTOAWMW-QGZVFWFLSA-N 1 2 420.872 3.851 20 5 HHBDLO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000522238202 1010882426 /nfs/dbraw/zinc/88/24/26/1010882426.db2.gz TZAVCNXXTOAWMW-QGZVFWFLSA-N 1 2 420.872 3.851 20 5 HHBDLO O=c1c(Cl)c(NCc2cccc(-n3cc[nH+]c3)c2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000522403423 1010984836 /nfs/dbraw/zinc/98/48/36/1010984836.db2.gz PUMANJJCZDCCMO-UHFFFAOYSA-N 1 2 422.832 3.592 20 5 HHBDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000522641224 1011130767 /nfs/dbraw/zinc/13/07/67/1011130767.db2.gz WYIXFEQXHPHRJQ-UHFFFAOYSA-N 1 2 424.482 3.803 20 5 HHBDLO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)cc2[N+](=O)[O-])C1 ZINC000523049969 1011518706 /nfs/dbraw/zinc/51/87/06/1011518706.db2.gz IZBHVLJHZYJRAJ-HOTGVXAUSA-N 1 2 411.506 3.820 20 5 HHBDLO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)cc2[N+](=O)[O-])C1 ZINC000523049971 1011519044 /nfs/dbraw/zinc/51/90/44/1011519044.db2.gz IZBHVLJHZYJRAJ-IYBDPMFKSA-N 1 2 411.506 3.820 20 5 HHBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H](C)O1 ZINC000536513624 1011711111 /nfs/dbraw/zinc/71/11/11/1011711111.db2.gz CHTBMPFBQLHMQM-GJZGRUSLSA-N 1 2 408.458 3.938 20 5 HHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000536732241 1011906655 /nfs/dbraw/zinc/90/66/55/1011906655.db2.gz BDWGKKOFCHUHQY-KRWDZBQOSA-N 1 2 414.481 3.750 20 5 HHBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000541316513 1012025141 /nfs/dbraw/zinc/02/51/41/1012025141.db2.gz RLKZLEBBJCONBD-FQEVSTJZSA-N 1 2 423.473 3.657 20 5 HHBDLO CC[N@@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536912607 1012182488 /nfs/dbraw/zinc/18/24/88/1012182488.db2.gz XFOXWLUSUXQUDN-ICSRJNTNSA-N 1 2 405.857 3.882 20 5 HHBDLO CC[N@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536912607 1012182497 /nfs/dbraw/zinc/18/24/97/1012182497.db2.gz XFOXWLUSUXQUDN-ICSRJNTNSA-N 1 2 405.857 3.882 20 5 HHBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000523735951 1012354930 /nfs/dbraw/zinc/35/49/30/1012354930.db2.gz HORCVKYJWHOFQS-UHFFFAOYSA-N 1 2 405.439 3.834 20 5 HHBDLO C[C@@H](C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000541622117 1012432108 /nfs/dbraw/zinc/43/21/08/1012432108.db2.gz MRGSKTSJKVCMPQ-HUUCEWRRSA-N 1 2 401.438 3.869 20 5 HHBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CC2)c1 ZINC000524143166 1012929037 /nfs/dbraw/zinc/92/90/37/1012929037.db2.gz PJPACLXYCCYEKL-UHFFFAOYSA-N 1 2 418.291 3.624 20 5 HHBDLO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)n1 ZINC000552939439 1012932051 /nfs/dbraw/zinc/93/20/51/1012932051.db2.gz LITKYDJQHWJAEO-MRXNPFEDSA-N 1 2 422.844 3.818 20 5 HHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000572322633 1073238721 /nfs/dbraw/zinc/23/87/21/1073238721.db2.gz ZKPPQEZKOUBAKX-ZDUSSCGKSA-N 1 2 404.854 3.514 20 5 HHBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000588845530 1073304266 /nfs/dbraw/zinc/30/42/66/1073304266.db2.gz JCZSGGSIGGRTJZ-HNNXBMFYSA-N 1 2 420.560 3.696 20 5 HHBDLO C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000590601264 1073934949 /nfs/dbraw/zinc/93/49/49/1073934949.db2.gz QGBVUNINYPGMQN-AWEZNQCLSA-N 1 2 403.866 3.825 20 5 HHBDLO C[C@H]1CN(c2cccc(Cl)c2)CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000590601264 1073934953 /nfs/dbraw/zinc/93/49/53/1073934953.db2.gz QGBVUNINYPGMQN-AWEZNQCLSA-N 1 2 403.866 3.825 20 5 HHBDLO