smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc(Cl)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164626993 719054380 /nfs/dbraw/zinc/05/43/80/719054380.db2.gz SZWHGGICOOKZAJ-NVXWUHKLSA-N 1 0 372.856 3.744 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCCC3)CC2)nc1-c1ccc(F)cc1 ZINC001165033593 721862239 /nfs/dbraw/zinc/86/22/39/721862239.db2.gz RLAQBQCTNNBKIH-UHFFFAOYSA-N 1 0 370.428 3.861 20 5 FHBDRO CC[NH+](CC)C1CCN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)CC1 ZINC001165054154 722007052 /nfs/dbraw/zinc/00/70/52/722007052.db2.gz KMEBILMGWXFVAQ-UHFFFAOYSA-N 1 0 373.432 3.502 20 5 FHBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000048885995 936383546 /nfs/dbraw/zinc/38/35/46/936383546.db2.gz OLRSBWHSWFDPGK-GASCZTMLSA-N 1 0 371.437 3.596 20 5 FHBDRO Cc1nn(CN(CCC(F)(F)F)CC2CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121248728 927142804 /nfs/dbraw/zinc/14/28/04/927142804.db2.gz LIECSLIJMTVVMK-UHFFFAOYSA-N 1 0 356.348 3.875 20 5 FHBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000610178078 927288692 /nfs/dbraw/zinc/28/86/92/927288692.db2.gz NSAFHZMLFRLZLJ-RHSMWYFYSA-N 1 0 361.486 3.695 20 5 FHBDRO COc1cccc([C@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)[NH+](C)C)c1 ZINC000097335767 927341021 /nfs/dbraw/zinc/34/10/21/927341021.db2.gz UVTTVWWXIUHDHC-IBGZPJMESA-N 1 0 366.421 3.866 20 5 FHBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000558007824 927391541 /nfs/dbraw/zinc/39/15/41/927391541.db2.gz ZUVYWULLJURTAG-QGZVFWFLSA-N 1 0 359.470 3.746 20 5 FHBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000558229497 927439440 /nfs/dbraw/zinc/43/94/40/927439440.db2.gz CVFURRWJDKLJEE-HIFRSBDPSA-N 1 0 360.414 3.747 20 5 FHBDRO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@@H]21 ZINC000535806327 927684848 /nfs/dbraw/zinc/68/48/48/927684848.db2.gz QQLHUSWLNNSLRM-YJBOKZPZSA-N 1 0 355.438 3.771 20 5 FHBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000246864315 927707981 /nfs/dbraw/zinc/70/79/81/927707981.db2.gz DLAYTOQKYZOFMA-ZFWWWQNUSA-N 1 0 359.451 3.508 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000471136922 927725588 /nfs/dbraw/zinc/72/55/88/927725588.db2.gz OIHIRSVULZFOMU-OXJNMPFZSA-N 1 0 369.465 3.941 20 5 FHBDRO CN(C)C(=O)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000162600821 937191436 /nfs/dbraw/zinc/19/14/36/937191436.db2.gz OZZAIFDRWKDUES-UHFFFAOYSA-N 1 0 373.478 3.624 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000120298243 928019497 /nfs/dbraw/zinc/01/94/97/928019497.db2.gz KKKRIBQYQCGVLS-HZPDHXFCSA-N 1 0 374.485 3.986 20 5 FHBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC3(CC[NH2+]CC3)c3ccccc32)n1 ZINC001167068948 928152148 /nfs/dbraw/zinc/15/21/48/928152148.db2.gz FLPLKBTZTDPEPJ-UHFFFAOYSA-N 1 0 358.829 3.725 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000610238822 929143036 /nfs/dbraw/zinc/14/30/36/929143036.db2.gz IUPKYLRHLUOCMT-SFHVURJKSA-N 1 0 367.449 3.545 20 5 FHBDRO O=C(CC[N@@H+]1CCC[C@H]1c1cccc(F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC001167094496 929146781 /nfs/dbraw/zinc/14/67/81/929146781.db2.gz RXRQFKRUEJQIQN-SFHVURJKSA-N 1 0 357.385 3.900 20 5 FHBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000278191736 937328643 /nfs/dbraw/zinc/32/86/43/937328643.db2.gz OSKWMQNIBIIYNN-LSDHHAIUSA-N 1 0 363.461 3.696 20 5 FHBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000176683441 937370742 /nfs/dbraw/zinc/37/07/42/937370742.db2.gz TWKJMCAHUNIQFZ-GOSISDBHSA-N 1 0 373.428 3.855 20 5 FHBDRO CCc1cc(NCC(C)(C)C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064904561 930194224 /nfs/dbraw/zinc/19/42/24/930194224.db2.gz SLWSFMCPKINKDY-UHFFFAOYSA-N 1 0 357.458 3.614 20 5 FHBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cncc(Br)c1 ZINC000580096749 930243042 /nfs/dbraw/zinc/24/30/42/930243042.db2.gz OQZSYLKLLJPTSC-NSHDSACASA-N 1 0 350.216 3.646 20 5 FHBDRO CCc1ccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000471539401 930246393 /nfs/dbraw/zinc/24/63/93/930246393.db2.gz KWHGODVGZADNJS-LIRRHRJNSA-N 1 0 355.438 3.578 20 5 FHBDRO Cc1ccc([C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)N2CCOCC2)o1 ZINC000118953033 930459931 /nfs/dbraw/zinc/45/99/31/930459931.db2.gz IVCNWRFJXARRTH-APWZRJJASA-N 1 0 373.453 3.529 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379654503 930497942 /nfs/dbraw/zinc/49/79/42/930497942.db2.gz IRFPXDDDBBKQJM-VQIMIIECSA-N 1 0 369.465 3.746 20 5 FHBDRO CC(C)[NH+]1CCC(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000610427054 930508000 /nfs/dbraw/zinc/50/80/00/930508000.db2.gz TWDKKDJILUTYIX-UHFFFAOYSA-N 1 0 374.466 3.777 20 5 FHBDRO Cc1c([C@@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000165512609 930533571 /nfs/dbraw/zinc/53/35/71/930533571.db2.gz HBLJFRZTMTVIMG-CYBMUJFWSA-N 1 0 361.829 3.637 20 5 FHBDRO Cc1ccc(OC2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000580372469 930586098 /nfs/dbraw/zinc/58/60/98/930586098.db2.gz GEPRXUDFKSNJFJ-UHFFFAOYSA-N 1 0 356.422 3.825 20 5 FHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(OCC(F)(F)F)nc1 ZINC000580417878 930659632 /nfs/dbraw/zinc/65/96/32/930659632.db2.gz LUCJOHYFKVJEIK-UHFFFAOYSA-N 1 0 369.343 3.605 20 5 FHBDRO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261885220 930882237 /nfs/dbraw/zinc/88/22/37/930882237.db2.gz AVLPFPMWAPQUEB-SFHVURJKSA-N 1 0 367.405 3.715 20 5 FHBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000255230577 931242493 /nfs/dbraw/zinc/24/24/93/931242493.db2.gz SHBSNKQZVIKIIB-FLIBITNWSA-N 1 0 365.433 3.520 20 5 FHBDRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000477002159 931376035 /nfs/dbraw/zinc/37/60/35/931376035.db2.gz FDEWAUUQSGRONR-UHFFFAOYSA-N 1 0 364.405 3.924 20 5 FHBDRO CCOc1ccc(CN(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000023815297 931419772 /nfs/dbraw/zinc/41/97/72/931419772.db2.gz NRMZVQXPBUBJSZ-UHFFFAOYSA-N 1 0 368.393 3.676 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000581131981 931600841 /nfs/dbraw/zinc/60/08/41/931600841.db2.gz CZGXGPNYBLBZRB-LPHOPBHVSA-N 1 0 367.449 3.544 20 5 FHBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]([C@H]3CCCc4ccc(F)cc43)C2)nc1 ZINC000510383287 931811998 /nfs/dbraw/zinc/81/19/98/931811998.db2.gz ZYVBGQMUKDZMQA-YJBOKZPZSA-N 1 0 356.401 3.693 20 5 FHBDRO COc1cc(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)c([N+](=O)[O-])cc1OC ZINC000510398385 931906090 /nfs/dbraw/zinc/90/60/90/931906090.db2.gz XZPNESKMVAWSBR-KRWDZBQOSA-N 1 0 374.412 3.958 20 5 FHBDRO CCC[N@H+](CC)Cc1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000511729816 931934315 /nfs/dbraw/zinc/93/43/15/931934315.db2.gz KJAOTBLQKXKGTE-UHFFFAOYSA-N 1 0 355.438 3.757 20 5 FHBDRO Cc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000247340871 932009119 /nfs/dbraw/zinc/00/91/19/932009119.db2.gz ZWWFQPCVWABJCX-MAUKXSAKSA-N 1 0 367.449 3.686 20 5 FHBDRO COc1ccccc1[C@H](CO)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000537984072 932191810 /nfs/dbraw/zinc/19/18/10/932191810.db2.gz HUVRMOSZFKEFSL-MNEFBYGVSA-N 1 0 370.449 3.638 20 5 FHBDRO COc1ccc(CCNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)cc1OC ZINC000891434677 932295565 /nfs/dbraw/zinc/29/55/65/932295565.db2.gz XFVACIHEHYVBTD-UHFFFAOYSA-N 1 0 367.405 3.545 20 5 FHBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000090909886 932605419 /nfs/dbraw/zinc/60/54/19/932605419.db2.gz WQRVGCNSWUZXFK-ZDUSSCGKSA-N 1 0 353.422 3.718 20 5 FHBDRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc([N+](=O)[O-])c1 ZINC000247365353 932610306 /nfs/dbraw/zinc/61/03/06/932610306.db2.gz KKAVDOAIWJXWTH-RDTXWAMCSA-N 1 0 373.478 3.778 20 5 FHBDRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000891573303 932780292 /nfs/dbraw/zinc/78/02/92/932780292.db2.gz JQPNKFDTWNGYCI-CQSZACIVSA-N 1 0 361.467 3.870 20 5 FHBDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000134661810 932836683 /nfs/dbraw/zinc/83/66/83/932836683.db2.gz HOIXBUXLJMBWCL-HOCLYGCPSA-N 1 0 363.458 3.515 20 5 FHBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000588444430 933100824 /nfs/dbraw/zinc/10/08/24/933100824.db2.gz GLTFWGPRKOXBJP-BHWVZIDZSA-N 1 0 359.470 3.769 20 5 FHBDRO CC[N@H+](C)Cc1cccc(CNC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC000588444651 933106636 /nfs/dbraw/zinc/10/66/36/933106636.db2.gz MKVXOSHHUZARHO-VBKFSLOCSA-N 1 0 367.449 3.766 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](c4ncc[nH]4)C3)o2)cc1 ZINC000510524853 933181057 /nfs/dbraw/zinc/18/10/57/933181057.db2.gz REWWAZFDEWJZBH-HNNXBMFYSA-N 1 0 352.394 3.958 20 5 FHBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-])[NH+](C)C ZINC000510528931 933189192 /nfs/dbraw/zinc/18/91/92/933189192.db2.gz ZJAVCHPGRPXLEE-KXBFYZLASA-N 1 0 355.438 3.633 20 5 FHBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000430830602 933280461 /nfs/dbraw/zinc/28/04/61/933280461.db2.gz OWGCCVSOFCDQHR-GUYCJALGSA-N 1 0 367.877 3.879 20 5 FHBDRO COc1cc(N2CCC[N@H+](Cc3ccccc3C)CC2)c([N+](=O)[O-])cc1F ZINC000610715024 933900051 /nfs/dbraw/zinc/90/00/51/933900051.db2.gz PHMXMLVPGFZFTE-UHFFFAOYSA-N 1 0 373.428 3.763 20 5 FHBDRO CCC[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000548488328 934161221 /nfs/dbraw/zinc/16/12/21/934161221.db2.gz NOXHDQUZOSTBOX-HOCLYGCPSA-N 1 0 363.458 3.881 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000510944716 934207028 /nfs/dbraw/zinc/20/70/28/934207028.db2.gz KODRHOJMYBMWSB-HIFRSBDPSA-N 1 0 360.483 3.866 20 5 FHBDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000535810288 934401388 /nfs/dbraw/zinc/40/13/88/934401388.db2.gz BOOOBWONVHBRJP-UZLBHIALSA-N 1 0 355.438 3.565 20 5 FHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC(C)(C)c1ccccc1 ZINC000610799045 934443148 /nfs/dbraw/zinc/44/31/48/934443148.db2.gz XLRXIWBERZFKGO-OAHLLOKOSA-N 1 0 355.438 3.879 20 5 FHBDRO COc1nc(C)cc(C)c1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000610809632 934450182 /nfs/dbraw/zinc/45/01/82/934450182.db2.gz JJEWBZCGLFEQBV-GOSISDBHSA-N 1 0 355.438 3.726 20 5 FHBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000091075423 934474275 /nfs/dbraw/zinc/47/42/75/934474275.db2.gz KQVQCCNTUQUSKR-UHFFFAOYSA-N 1 0 368.437 3.736 20 5 FHBDRO Cc1ccc(C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C(C)C)s1 ZINC000065161897 934516553 /nfs/dbraw/zinc/51/65/53/934516553.db2.gz ZWYWRRJPQQDITP-MRXNPFEDSA-N 1 0 364.467 3.615 20 5 FHBDRO CSc1cccc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)c1[N+](=O)[O-] ZINC000458270572 934573777 /nfs/dbraw/zinc/57/37/77/934573777.db2.gz TVXKKAKXSDFFNB-UHFFFAOYSA-N 1 0 359.451 3.939 20 5 FHBDRO CCc1ccc(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000471992270 934727238 /nfs/dbraw/zinc/72/72/38/934727238.db2.gz NAAWASHGJIXYRB-GOSISDBHSA-N 1 0 371.437 3.626 20 5 FHBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000176283693 934748430 /nfs/dbraw/zinc/74/84/30/934748430.db2.gz HHRZOQYBQCQXOV-UHFFFAOYSA-N 1 0 373.434 3.607 20 5 FHBDRO CC[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000380492148 934809225 /nfs/dbraw/zinc/80/92/25/934809225.db2.gz WNYNOZNDTYMQPX-NHCUHLMSSA-N 1 0 369.465 3.537 20 5 FHBDRO CC[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000380492151 934809268 /nfs/dbraw/zinc/80/92/68/934809268.db2.gz WNYNOZNDTYMQPX-RTWAWAEBSA-N 1 0 369.465 3.537 20 5 FHBDRO COc1c(O)ccc(CN(C)[C@@H](C)c2sc(C)nc2C)c1[N+](=O)[O-] ZINC000891991445 934812856 /nfs/dbraw/zinc/81/28/56/934812856.db2.gz BZENVHHJVXBLEZ-JTQLQIEISA-N 1 0 351.428 3.575 20 5 FHBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000071808896 934875656 /nfs/dbraw/zinc/87/56/56/934875656.db2.gz FCGMEGINDMJUPG-QGZVFWFLSA-N 1 0 368.437 3.553 20 5 FHBDRO COc1cccc(C[C@@H]2CCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000065535751 934980493 /nfs/dbraw/zinc/98/04/93/934980493.db2.gz TVXULGCLKMTFOW-SFHVURJKSA-N 1 0 356.422 3.689 20 5 FHBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(OC)c(OC)c1 ZINC000065532782 934981366 /nfs/dbraw/zinc/98/13/66/934981366.db2.gz JHIAWKQJJYISID-UHFFFAOYSA-N 1 0 360.410 3.513 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H](CO)c1cccc(F)c1 ZINC000539087862 935015724 /nfs/dbraw/zinc/01/57/24/935015724.db2.gz OCODHXBOMCJFRF-GDIGMMSISA-N 1 0 358.413 3.768 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000157462240 935079398 /nfs/dbraw/zinc/07/93/98/935079398.db2.gz HISAIZMMZOXUCZ-CQSZACIVSA-N 1 0 365.499 3.773 20 5 FHBDRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000511051626 935092576 /nfs/dbraw/zinc/09/25/76/935092576.db2.gz RXSXKNDPBUACPO-PKOBYXMFSA-N 1 0 368.437 3.942 20 5 FHBDRO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1COc2ccccc2O1 ZINC000071969812 935129466 /nfs/dbraw/zinc/12/94/66/935129466.db2.gz SQEIGOMBZRTDNT-GOSISDBHSA-N 1 0 356.422 3.689 20 5 FHBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000551269969 935236790 /nfs/dbraw/zinc/23/67/90/935236790.db2.gz AIBWCRCIIOVAAB-OEIFXAAASA-N 1 0 367.449 3.715 20 5 FHBDRO Cc1cc([N+](=O)[O-])cnc1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000518140187 945088415 /nfs/dbraw/zinc/08/84/15/945088415.db2.gz RJMTUGSNKMUQKS-UHFFFAOYSA-N 1 0 354.454 3.708 20 5 FHBDRO CC(C)([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000551428929 935279435 /nfs/dbraw/zinc/27/94/35/935279435.db2.gz WDCXADAWQCAQFN-MRXNPFEDSA-N 1 0 364.829 3.513 20 5 FHBDRO CC(C)([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000551428913 935282413 /nfs/dbraw/zinc/28/24/13/935282413.db2.gz WDCXADAWQCAQFN-INIZCTEOSA-N 1 0 364.829 3.513 20 5 FHBDRO C[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])Oc1cccc(Br)c1 ZINC000540611643 935505740 /nfs/dbraw/zinc/50/57/40/935505740.db2.gz UNZVPGQAGJJHSP-LBPRGKRZSA-N 1 0 365.227 3.914 20 5 FHBDRO CC(C)(CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+]1CCCCC1 ZINC000120069200 935525894 /nfs/dbraw/zinc/52/58/94/935525894.db2.gz FRJUGQRTFNUKFJ-UHFFFAOYSA-N 1 0 374.485 3.533 20 5 FHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000511104630 935578904 /nfs/dbraw/zinc/57/89/04/935578904.db2.gz FNYQPMSKJIXDFY-HXUWFJFHSA-N 1 0 370.449 3.827 20 5 FHBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC001167568081 935585269 /nfs/dbraw/zinc/58/52/69/935585269.db2.gz MWVPLQGUWUVXLW-NRFANRHFSA-N 1 0 370.449 3.697 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000511785137 945111130 /nfs/dbraw/zinc/11/11/30/945111130.db2.gz IYROCCUZXZUGIR-AQNXPRMDSA-N 1 0 368.433 3.608 20 5 FHBDRO COC(=O)COc1ccc(C[N@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000187743450 935630557 /nfs/dbraw/zinc/63/05/57/935630557.db2.gz OBUUBPYMKMNTPL-OAHLLOKOSA-N 1 0 372.421 3.648 20 5 FHBDRO Cc1ccc([C@@H](C)NC(=O)CN(C)CCc2ccccc2[N+](=O)[O-])cc1C ZINC000511125858 935701195 /nfs/dbraw/zinc/70/11/95/935701195.db2.gz NLPRZBREMCLBAQ-QGZVFWFLSA-N 1 0 369.465 3.563 20 5 FHBDRO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[S@@](=O)C1 ZINC000277599709 935703984 /nfs/dbraw/zinc/70/39/84/935703984.db2.gz VNUNYYQFMIYSFM-YEBMWUKDSA-N 1 0 364.492 3.524 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CCC([NH+]4CCCC4)CC3)cs2)c1 ZINC000127694782 935743187 /nfs/dbraw/zinc/74/31/87/935743187.db2.gz VKFUIUVYBPJOBR-UHFFFAOYSA-N 1 0 372.494 3.779 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCOc1ccc(Br)cc1 ZINC000050015677 935744142 /nfs/dbraw/zinc/74/41/42/935744142.db2.gz WJYAVVLGEDGIRC-UHFFFAOYSA-N 1 0 351.200 3.526 20 5 FHBDRO O=C1C[C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ccccc2N1 ZINC000375712406 935779668 /nfs/dbraw/zinc/77/96/68/935779668.db2.gz RYZLOSLKLCNZRJ-KBXCAEBGSA-N 1 0 351.406 3.688 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000159049262 935792931 /nfs/dbraw/zinc/79/29/31/935792931.db2.gz KRDGEFOYJGQSLF-KBPBESRZSA-N 1 0 362.451 3.719 20 5 FHBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000540792276 935793314 /nfs/dbraw/zinc/79/33/14/935793314.db2.gz PNVNRCMSTDQJIQ-UHFFFAOYSA-N 1 0 368.462 3.963 20 5 FHBDRO CC[C@@H]([NH2+]C[C@@H](c1ccccc1OC)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000479876567 935911364 /nfs/dbraw/zinc/91/13/64/935911364.db2.gz UQAPMFLBQBOPOB-MOPGFXCFSA-N 1 0 357.454 3.947 20 5 FHBDRO CC[NH+](CC)[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccsc1 ZINC000611701236 935940561 /nfs/dbraw/zinc/94/05/61/935940561.db2.gz OTRCOLIUNVLJLX-QGZVFWFLSA-N 1 0 371.466 3.516 20 5 FHBDRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000480107520 935963938 /nfs/dbraw/zinc/96/39/38/935963938.db2.gz XDRTZACMIPVMTB-MOPGFXCFSA-N 1 0 367.449 3.852 20 5 FHBDRO O=[N+]([O-])c1ccc2ncnc(NC3CC[NH+](C4CCCCC4)CC3)c2c1 ZINC000611709747 935970610 /nfs/dbraw/zinc/97/06/10/935970610.db2.gz VXICQURGLVEXJG-UHFFFAOYSA-N 1 0 355.442 3.747 20 5 FHBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC000582724393 935990161 /nfs/dbraw/zinc/99/01/61/935990161.db2.gz RFIVUJILOIWPSS-ZDUSSCGKSA-N 1 0 351.328 3.998 20 5 FHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000075623578 936013721 /nfs/dbraw/zinc/01/37/21/936013721.db2.gz REJJCIHUNUVRKM-HOTGVXAUSA-N 1 0 369.469 3.853 20 5 FHBDRO O=C(NCC[NH+]1CCCCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277862539 936053066 /nfs/dbraw/zinc/05/30/66/936053066.db2.gz LDHCHPSDEXXSFN-UHFFFAOYSA-N 1 0 363.461 3.699 20 5 FHBDRO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611939654 936096519 /nfs/dbraw/zinc/09/65/19/936096519.db2.gz SQRCFSGVDZQIPE-NEPJUHHUSA-N 1 0 362.817 3.629 20 5 FHBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431490475 936159498 /nfs/dbraw/zinc/15/94/98/936159498.db2.gz ZSJSHKUWPKRMMX-UHFFFAOYSA-N 1 0 366.465 3.791 20 5 FHBDRO Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680468 936172978 /nfs/dbraw/zinc/17/29/78/936172978.db2.gz PLIOJUOOMDMHBZ-IRXDYDNUSA-N 1 0 369.465 3.610 20 5 FHBDRO CCC[N@H+](C)C[C@@H]1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000078563780 936203563 /nfs/dbraw/zinc/20/35/63/936203563.db2.gz OMDHURLOCVOOCL-INIZCTEOSA-N 1 0 369.469 3.528 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000178691438 936208171 /nfs/dbraw/zinc/20/81/71/936208171.db2.gz LDBIDPFYFIUSSX-RYUDHWBXSA-N 1 0 363.364 3.859 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000178691469 936208207 /nfs/dbraw/zinc/20/82/07/936208207.db2.gz LDBIDPFYFIUSSX-NWDGAFQWSA-N 1 0 363.364 3.859 20 5 FHBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000078583612 936211593 /nfs/dbraw/zinc/21/15/93/936211593.db2.gz ATCSLNINXPTEKB-INIZCTEOSA-N 1 0 367.449 3.604 20 5 FHBDRO CCc1ccc([C@@H](N[C@H]2CC[N@H+](CC3CC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612410062 936240403 /nfs/dbraw/zinc/24/04/03/936240403.db2.gz YCVUASLUDRINSX-UWJYYQICSA-N 1 0 369.465 3.914 20 5 FHBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC=C(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000511211618 936249870 /nfs/dbraw/zinc/24/98/70/936249870.db2.gz PNGSWPYLAMREBY-UHFFFAOYSA-N 1 0 367.236 3.887 20 5 FHBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC=C(c3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000511216841 936304341 /nfs/dbraw/zinc/30/43/41/936304341.db2.gz NBLMXXIDAMUIQV-UHFFFAOYSA-N 1 0 367.236 3.887 20 5 FHBDRO COc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000511798331 945156525 /nfs/dbraw/zinc/15/65/25/945156525.db2.gz SAPFUESCHKBZPN-QYZOEREBSA-N 1 0 368.433 3.608 20 5 FHBDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000432134259 945159171 /nfs/dbraw/zinc/15/91/71/945159171.db2.gz SKOKIHMLDXDPNB-YOEHRIQHSA-N 1 0 360.845 3.772 20 5 FHBDRO COc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000080338498 938249084 /nfs/dbraw/zinc/24/90/84/938249084.db2.gz CZJYIETVOVNXKF-LPHOPBHVSA-N 1 0 369.465 3.746 20 5 FHBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c(Cl)c1 ZINC000611774756 938284848 /nfs/dbraw/zinc/28/48/48/938284848.db2.gz UUBCEFBWWIULDE-IYBDPMFKSA-N 1 0 357.841 3.816 20 5 FHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnn(-c2ccc(F)cc2)c1 ZINC000583591741 938311357 /nfs/dbraw/zinc/31/13/57/938311357.db2.gz DTWPSKIZFDIHGH-UHFFFAOYSA-N 1 0 354.385 3.594 20 5 FHBDRO Cc1ccccc1C1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000583807337 938421514 /nfs/dbraw/zinc/42/15/14/938421514.db2.gz HQDWACLKTGGJDG-UHFFFAOYSA-N 1 0 353.422 3.553 20 5 FHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000583871561 938461888 /nfs/dbraw/zinc/46/18/88/938461888.db2.gz ORFPLWOYGPXWNF-LBPRGKRZSA-N 1 0 369.219 3.762 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000583888330 938467527 /nfs/dbraw/zinc/46/75/27/938467527.db2.gz IDYCSYZOSGKQGG-HOTGVXAUSA-N 1 0 364.442 3.928 20 5 FHBDRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccccc1 ZINC000179012202 938488657 /nfs/dbraw/zinc/48/86/57/938488657.db2.gz IKMWVIFYXWPGPC-IRXDYDNUSA-N 1 0 374.828 3.815 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000573012121 938489271 /nfs/dbraw/zinc/48/92/71/938489271.db2.gz ADQYTSSXDLGINU-BETUJISGSA-N 1 0 373.375 3.895 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2COc3c(C)cccc3C2)cc1[N+](=O)[O-] ZINC000583964356 938507880 /nfs/dbraw/zinc/50/78/80/938507880.db2.gz GRSCHJYSLKFISK-YOEHRIQHSA-N 1 0 356.422 3.956 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2COc3c(C)cccc3C2)cc1[N+](=O)[O-] ZINC000583964355 938507939 /nfs/dbraw/zinc/50/79/39/938507939.db2.gz GRSCHJYSLKFISK-WMLDXEAASA-N 1 0 356.422 3.956 20 5 FHBDRO Cc1c(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000584191555 938637035 /nfs/dbraw/zinc/63/70/35/938637035.db2.gz MICLLDJMCXUWRS-MAUKXSAKSA-N 1 0 368.437 3.688 20 5 FHBDRO CC[N@@H+](Cc1ccccc1Cl)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000106268961 945200658 /nfs/dbraw/zinc/20/06/58/945200658.db2.gz HFDGCEABSNQFKO-INIZCTEOSA-N 1 0 364.829 3.510 20 5 FHBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000437869697 945203848 /nfs/dbraw/zinc/20/38/48/945203848.db2.gz NLKXGOGFQVDKBP-MRXNPFEDSA-N 1 0 370.453 3.603 20 5 FHBDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)cc1[N+](=O)[O-] ZINC000573263488 938908658 /nfs/dbraw/zinc/90/86/58/938908658.db2.gz UQGUQHWZQKPEQV-XZKMEQPCSA-N 1 0 362.470 3.755 20 5 FHBDRO C[C@@H](C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000101825898 938936524 /nfs/dbraw/zinc/93/65/24/938936524.db2.gz ZFAAGQKMXVJJLY-OXQOHEQNSA-N 1 0 367.449 3.652 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000179108486 938944321 /nfs/dbraw/zinc/94/43/21/938944321.db2.gz BGAQPPQTQMNHPW-FQEVSTJZSA-N 1 0 369.421 3.673 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000198695065 938962525 /nfs/dbraw/zinc/96/25/25/938962525.db2.gz RLZVZCXEDQLOKQ-QGZVFWFLSA-N 1 0 353.422 3.851 20 5 FHBDRO COc1cc(C[N@H+](C)C(C2CC2)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000050989065 938972343 /nfs/dbraw/zinc/97/23/43/938972343.db2.gz BYZJQSAZTJGUAF-UHFFFAOYSA-N 1 0 356.369 3.825 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2nc(CN3CCC[N@@H+](C4CCCC4)CC3)co2)cc1 ZINC000179206014 938990449 /nfs/dbraw/zinc/99/04/49/938990449.db2.gz ZYNTWERCBHKRRC-UHFFFAOYSA-N 1 0 370.453 3.700 20 5 FHBDRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000472336993 938995426 /nfs/dbraw/zinc/99/54/26/938995426.db2.gz GPBZOEUJODAIBE-WMZOPIPTSA-N 1 0 367.449 3.511 20 5 FHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000188052127 939017337 /nfs/dbraw/zinc/01/73/37/939017337.db2.gz STNGDOUFGSBJTL-SJCJKPOMSA-N 1 0 373.384 3.564 20 5 FHBDRO NC(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000102419697 939017927 /nfs/dbraw/zinc/01/79/27/939017927.db2.gz XAYNYHGQEMPNBV-UHFFFAOYSA-N 1 0 367.430 3.712 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)s1 ZINC000179370164 939105251 /nfs/dbraw/zinc/10/52/51/939105251.db2.gz DRYWOZRCRORVBH-AWEZNQCLSA-N 1 0 374.462 3.908 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]CCCc2nc(C(C)C)no2)cc1[N+](=O)[O-] ZINC000179417698 939148249 /nfs/dbraw/zinc/14/82/49/939148249.db2.gz NAIFHBOVQVXVMO-ZDUSSCGKSA-N 1 0 362.430 3.783 20 5 FHBDRO O=C(c1ccccc1)N1CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892471395 939223865 /nfs/dbraw/zinc/22/38/65/939223865.db2.gz NNWWIZVZMUOLCR-UHFFFAOYSA-N 1 0 373.840 3.643 20 5 FHBDRO O=[N+]([O-])c1cccc2c(NCC3CCN(c4cc[nH+]cc4)CC3)ccnc21 ZINC000432171081 945258026 /nfs/dbraw/zinc/25/80/26/945258026.db2.gz YGOHBNRBALAICE-UHFFFAOYSA-N 1 0 363.421 3.867 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000614261261 939903400 /nfs/dbraw/zinc/90/34/00/939903400.db2.gz QHWQBNDIZPLEQO-JKSUJKDBSA-N 1 0 371.485 3.558 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@]2(CO)CCc3ccccc32)o1 ZINC000135899880 939910832 /nfs/dbraw/zinc/91/08/32/939910832.db2.gz ZTOCRDREGARRMG-NRFANRHFSA-N 1 0 364.401 3.778 20 5 FHBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179774874 939933450 /nfs/dbraw/zinc/93/34/50/939933450.db2.gz WSTWZFFJFOZNPF-AWEZNQCLSA-N 1 0 353.422 3.837 20 5 FHBDRO Cc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000364725471 939993557 /nfs/dbraw/zinc/99/35/57/939993557.db2.gz UAJWZSKVPTZPAZ-GOSISDBHSA-N 1 0 371.481 3.518 20 5 FHBDRO CC[C@H]([NH2+]CCC(=O)N1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000411475173 940047433 /nfs/dbraw/zinc/04/74/33/940047433.db2.gz NESOSEQKGDVHFK-SFHVURJKSA-N 1 0 353.422 3.615 20 5 FHBDRO CC1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[NH+](Cc2ccccc2)C1 ZINC000365055152 940049670 /nfs/dbraw/zinc/04/96/70/940049670.db2.gz MUHUHMNJCGPBSF-UHFFFAOYSA-N 1 0 373.840 3.500 20 5 FHBDRO CCc1ccc([C@@H]([NH2+]CC2(OC)CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612414679 940053610 /nfs/dbraw/zinc/05/36/10/940053610.db2.gz YDYZMGZRQVQIMK-IBGZPJMESA-N 1 0 374.437 3.625 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C)(C)c1ccccc1C ZINC000411769242 940111399 /nfs/dbraw/zinc/11/13/99/940111399.db2.gz VGNINATUQCKMAL-UHFFFAOYSA-N 1 0 371.437 3.765 20 5 FHBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000612530860 940127222 /nfs/dbraw/zinc/12/72/22/940127222.db2.gz WSDWQROWVYLUPY-UYSIFFEZSA-N 1 0 353.378 3.779 20 5 FHBDRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1csc([N+](=O)[O-])c1 ZINC000570092825 940133392 /nfs/dbraw/zinc/13/33/92/940133392.db2.gz JPXSYKKEBOLIKN-MRXNPFEDSA-N 1 0 373.478 3.688 20 5 FHBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000411894089 940151302 /nfs/dbraw/zinc/15/13/02/940151302.db2.gz PVCVVSYMAHVARA-CZUORRHYSA-N 1 0 357.410 3.671 20 5 FHBDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccccc3[N+](=O)[O-])ccc2NC1=O ZINC000180002260 940211141 /nfs/dbraw/zinc/21/11/41/940211141.db2.gz VIQJVBMSXKIIAF-PXAZEXFGSA-N 1 0 355.394 3.555 20 5 FHBDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccccc3[N+](=O)[O-])ccc2NC1=O ZINC000180002275 940211258 /nfs/dbraw/zinc/21/12/58/940211258.db2.gz VIQJVBMSXKIIAF-YVEFUNNKSA-N 1 0 355.394 3.555 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)o1 ZINC000092072453 940310723 /nfs/dbraw/zinc/31/07/23/940310723.db2.gz LHNQWTNZUQYISD-CQSZACIVSA-N 1 0 352.394 3.958 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@H](c4ncc[nH]4)C3)cs2)c1 ZINC000092071447 940311240 /nfs/dbraw/zinc/31/12/40/940311240.db2.gz KVHXUEOIYNNPFI-AWEZNQCLSA-N 1 0 369.450 3.821 20 5 FHBDRO Cc1n[nH]cc1CCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180071110 940382763 /nfs/dbraw/zinc/38/27/63/940382763.db2.gz TXEYNROQCIPWOA-FQEVSTJZSA-N 1 0 350.422 3.938 20 5 FHBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000540896757 940476865 /nfs/dbraw/zinc/47/68/65/940476865.db2.gz PNXNVZJPNLXIGG-UHFFFAOYSA-N 1 0 371.437 3.725 20 5 FHBDRO CC(=O)c1cc(NCCN2CCc3c(Cl)cccc3C2)ccc1[N+](=O)[O-] ZINC000580594733 940480176 /nfs/dbraw/zinc/48/01/76/940480176.db2.gz WNQJLXYLWKREIV-UHFFFAOYSA-N 1 0 373.840 3.921 20 5 FHBDRO O=C1O[C@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CN1c1ccccc1 ZINC000177999535 940503530 /nfs/dbraw/zinc/50/35/30/940503530.db2.gz ARYCQGQHRROFKN-LJQANCHMSA-N 1 0 367.405 3.585 20 5 FHBDRO COc1ccc([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])c(C)c1OC ZINC000581744258 940511059 /nfs/dbraw/zinc/51/10/59/940511059.db2.gz KUGSATIGJIBBLY-AWEZNQCLSA-N 1 0 360.410 3.650 20 5 FHBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000581703517 940589945 /nfs/dbraw/zinc/58/99/45/940589945.db2.gz BALYSORLIXCDGC-HHXXYDBFSA-N 1 0 361.486 3.715 20 5 FHBDRO CCC[N@@H+]1Cc2cccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000066515079 940595967 /nfs/dbraw/zinc/59/59/67/940595967.db2.gz PLBCLMBKMNQKDE-DHZHZOJOSA-N 1 0 351.406 3.972 20 5 FHBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)c(C)c1OC ZINC000582020828 940642192 /nfs/dbraw/zinc/64/21/92/940642192.db2.gz GCJLDZNHTPHDQB-CYBMUJFWSA-N 1 0 360.410 3.780 20 5 FHBDRO COc1ccc(OCC[N@H+](C)[C@H](C)c2sc(C)nc2C)c([N+](=O)[O-])c1 ZINC000173712606 940662171 /nfs/dbraw/zinc/66/21/71/940662171.db2.gz SKOQRLUXNQGUNB-GFCCVEGCSA-N 1 0 365.455 3.749 20 5 FHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)[C@H](C)c1ccccc1 ZINC000613390062 940662244 /nfs/dbraw/zinc/66/22/44/940662244.db2.gz VWCPBGQBYXJBHY-DNVCBOLYSA-N 1 0 358.438 3.636 20 5 FHBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000582320443 940665188 /nfs/dbraw/zinc/66/51/88/940665188.db2.gz CWTUXEVHWYMWJV-RHSMWYFYSA-N 1 0 373.453 3.711 20 5 FHBDRO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCC[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000414201497 940754468 /nfs/dbraw/zinc/75/44/68/940754468.db2.gz SOEFKQHGDBPMAK-BHIYHBOVSA-N 1 0 354.454 3.834 20 5 FHBDRO CC[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000414261944 940856761 /nfs/dbraw/zinc/85/67/61/940856761.db2.gz ZPLPDHISOWPBQM-ZYSHUDEJSA-N 1 0 358.442 3.630 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000582756136 940864060 /nfs/dbraw/zinc/86/40/60/940864060.db2.gz UMCGVPRXMZEEJY-HNNXBMFYSA-N 1 0 362.474 3.933 20 5 FHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414270010 940871020 /nfs/dbraw/zinc/87/10/20/940871020.db2.gz YIEIIZXPXMJISX-NSHDSACASA-N 1 0 354.332 3.515 20 5 FHBDRO CCN(C(=O)c1cccc([N+](=O)[O-])c1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186308088 940979912 /nfs/dbraw/zinc/97/99/12/940979912.db2.gz GIVIPMISCNIFJK-GOSISDBHSA-N 1 0 367.449 3.640 20 5 FHBDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000540962418 940994448 /nfs/dbraw/zinc/99/44/48/940994448.db2.gz VJPZCPREILYAPD-AEFFLSMTSA-N 1 0 369.465 3.956 20 5 FHBDRO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180400499 940999530 /nfs/dbraw/zinc/99/95/30/940999530.db2.gz RCFBCNCZDAGHAT-HOTGVXAUSA-N 1 0 355.438 3.683 20 5 FHBDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000180451115 941018222 /nfs/dbraw/zinc/01/82/22/941018222.db2.gz BMBXCWZACBOSDY-LLVKDONJSA-N 1 0 367.858 3.619 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCS[C@H]4COCC[C@@H]43)o2)c1 ZINC000180456585 941022839 /nfs/dbraw/zinc/02/28/39/941022839.db2.gz JGGFWWAVYYRTRC-WMZOPIPTSA-N 1 0 360.435 3.561 20 5 FHBDRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000180696221 941064731 /nfs/dbraw/zinc/06/47/31/941064731.db2.gz YHMGQTHIWBQSTE-CQSZACIVSA-N 1 0 357.410 3.591 20 5 FHBDRO O=C1CCCN1Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000892647916 941072201 /nfs/dbraw/zinc/07/22/01/941072201.db2.gz GAOWHXOQHHAGCW-UHFFFAOYSA-N 1 0 373.840 3.660 20 5 FHBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)CC1(CO)CC1 ZINC000188951020 941133075 /nfs/dbraw/zinc/13/30/75/941133075.db2.gz GYXCUSTXFOIXHI-UHFFFAOYSA-N 1 0 350.802 3.713 20 5 FHBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000189492416 941159036 /nfs/dbraw/zinc/15/90/36/941159036.db2.gz POJQVPKJNLTDHU-LSDHHAIUSA-N 1 0 362.455 3.799 20 5 FHBDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000311311225 941226208 /nfs/dbraw/zinc/22/62/08/941226208.db2.gz YBZCLFRBQONBAP-MRXNPFEDSA-N 1 0 363.458 3.768 20 5 FHBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000181445075 941260469 /nfs/dbraw/zinc/26/04/69/941260469.db2.gz FEYIQMYWWWQTSR-NEPJUHHUSA-N 1 0 356.348 3.592 20 5 FHBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(-n2cc(Cl)cn2)n1 ZINC000189898868 941296983 /nfs/dbraw/zinc/29/69/83/941296983.db2.gz NWWLONGJFOQLGJ-CYBMUJFWSA-N 1 0 371.828 3.988 20 5 FHBDRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000414524474 941371930 /nfs/dbraw/zinc/37/19/30/941371930.db2.gz GWWJQXOQLKWOOP-NSHDSACASA-N 1 0 356.348 3.673 20 5 FHBDRO C[NH2+][C@H]1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000414661441 941429687 /nfs/dbraw/zinc/42/96/87/941429687.db2.gz XDEYKXOWSLVIRU-HNNXBMFYSA-N 1 0 361.829 3.834 20 5 FHBDRO Cc1c(NC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)cccc1[N+](=O)[O-] ZINC000414692601 941441418 /nfs/dbraw/zinc/44/14/18/941441418.db2.gz CUGXANZKPNXUKB-INIZCTEOSA-N 1 0 356.426 3.848 20 5 FHBDRO [NH3+][C@H](CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000414889149 941502050 /nfs/dbraw/zinc/50/20/50/941502050.db2.gz KWHJNQQUHSZJRU-OAHLLOKOSA-N 1 0 361.829 3.867 20 5 FHBDRO Cc1ccc(NC(=O)[C@@H](C)N(C)CCc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000549156394 941549255 /nfs/dbraw/zinc/54/92/55/941549255.db2.gz CTUYAUKYIASHBM-MRXNPFEDSA-N 1 0 355.438 3.713 20 5 FHBDRO O=[N+]([O-])c1ccc([C@@H](NC2CC([NH+]3CCCCC3)C2)C(F)(F)F)cc1 ZINC000565087700 941564521 /nfs/dbraw/zinc/56/45/21/941564521.db2.gz MODFBSMUHQEPHR-AVVWSFFYSA-N 1 0 357.376 3.805 20 5 FHBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000415192782 941662156 /nfs/dbraw/zinc/66/21/56/941662156.db2.gz KVNPFKZDZYRCCQ-ZFWWWQNUSA-N 1 0 370.409 3.636 20 5 FHBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415201106 941670438 /nfs/dbraw/zinc/67/04/38/941670438.db2.gz YGIPHZGCXKORRC-KBPBESRZSA-N 1 0 370.409 3.588 20 5 FHBDRO COCCC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCC1 ZINC000122459684 941752172 /nfs/dbraw/zinc/75/21/72/941752172.db2.gz ZPTQGDLENCOEBC-UHFFFAOYSA-N 1 0 361.486 3.750 20 5 FHBDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1C ZINC000122510371 941785268 /nfs/dbraw/zinc/78/52/68/941785268.db2.gz YKBGETNJYGLNPG-GOSISDBHSA-N 1 0 353.422 3.648 20 5 FHBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000190065091 941806607 /nfs/dbraw/zinc/80/66/07/941806607.db2.gz QADVEMFPVFDPHU-JLJPHGGASA-N 1 0 365.499 3.884 20 5 FHBDRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000513272578 941825136 /nfs/dbraw/zinc/82/51/36/941825136.db2.gz RKIDHVOLXQOYOJ-KXBFYZLASA-N 1 0 365.433 3.567 20 5 FHBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000415444978 941826710 /nfs/dbraw/zinc/82/67/10/941826710.db2.gz SBNOHDCGPKYZOE-XYPYZODXSA-N 1 0 374.363 3.500 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000182660212 941949368 /nfs/dbraw/zinc/94/93/68/941949368.db2.gz NJKDRHGNCMEJSC-NVXWUHKLSA-N 1 0 373.497 3.935 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000182690173 941952572 /nfs/dbraw/zinc/95/25/72/941952572.db2.gz TYEYNBQLLRNKNY-AWEZNQCLSA-N 1 0 373.478 3.920 20 5 FHBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2ccccc2o1 ZINC000182640462 941957042 /nfs/dbraw/zinc/95/70/42/941957042.db2.gz QCMJITRHRYXIFL-GUYCJALGSA-N 1 0 365.389 3.797 20 5 FHBDRO Cc1cc(C)cc(OC[C@@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000513488936 941959691 /nfs/dbraw/zinc/95/96/91/941959691.db2.gz CLJKDZLWLSZORC-FQEVSTJZSA-N 1 0 372.465 3.862 20 5 FHBDRO CCCCNC(=O)c1ccc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000236797533 941961541 /nfs/dbraw/zinc/96/15/41/941961541.db2.gz BHWDMLJUFCYHMP-SOFGYWHQSA-N 1 0 367.449 3.928 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000182785419 941967001 /nfs/dbraw/zinc/96/70/01/941967001.db2.gz QYKRCNSOVZTPNQ-JKSUJKDBSA-N 1 0 361.486 3.839 20 5 FHBDRO Cc1c(NC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000377772861 941981194 /nfs/dbraw/zinc/98/11/94/941981194.db2.gz QNLGXDZECLWOHJ-GUYCJALGSA-N 1 0 374.466 3.779 20 5 FHBDRO Cc1ncc(CN2CC[C@@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)[C@H](C)C2)s1 ZINC000377794223 941997133 /nfs/dbraw/zinc/99/71/33/941997133.db2.gz XWTAXXFNZONUCY-RDTXWAMCSA-N 1 0 374.510 3.668 20 5 FHBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccccc2OC(F)(F)F)cc1 ZINC000517581445 942025239 /nfs/dbraw/zinc/02/52/39/942025239.db2.gz QGMPANDGZBJRFD-UHFFFAOYSA-N 1 0 356.300 3.662 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000415768089 942043192 /nfs/dbraw/zinc/04/31/92/942043192.db2.gz VELKKDZQLLEXIJ-QGZVFWFLSA-N 1 0 356.426 3.759 20 5 FHBDRO COCCC1(C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000513679779 942072863 /nfs/dbraw/zinc/07/28/63/942072863.db2.gz ZRFUTDPIIUMBQS-SFHVURJKSA-N 1 0 372.469 3.604 20 5 FHBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412311543 942149063 /nfs/dbraw/zinc/14/90/63/942149063.db2.gz OAVCZVYXAAEGQA-HSALFYBXSA-N 1 0 371.481 3.612 20 5 FHBDRO Cc1c(NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000103232861 942237537 /nfs/dbraw/zinc/23/75/37/942237537.db2.gz MOGWSLRILWUVBD-KRWDZBQOSA-N 1 0 374.485 3.879 20 5 FHBDRO C[NH+](C)CCOc1ccc(CNc2nccc3ccc([N+](=O)[O-])cc32)cc1 ZINC000413077607 942260368 /nfs/dbraw/zinc/26/03/68/942260368.db2.gz MTWFWDWGFPOTQM-UHFFFAOYSA-N 1 0 366.421 3.696 20 5 FHBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000501019748 942265621 /nfs/dbraw/zinc/26/56/21/942265621.db2.gz KYAZXLSLXMUYBK-ZIAGYGMSSA-N 1 0 372.469 3.562 20 5 FHBDRO O=C(CC[N@@H+]1CCC[C@H](CC(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420957451 942276358 /nfs/dbraw/zinc/27/63/58/942276358.db2.gz ZOBSUSPVUIHYSM-GFCCVEGCSA-N 1 0 359.348 3.588 20 5 FHBDRO CC(C)(C)c1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000501086736 942291263 /nfs/dbraw/zinc/29/12/63/942291263.db2.gz XAGXIHZBJFVAKI-CABCVRRESA-N 1 0 360.458 3.641 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000085637519 942291579 /nfs/dbraw/zinc/29/15/79/942291579.db2.gz BUOLEPQIZVHOBN-QGZVFWFLSA-N 1 0 370.453 3.506 20 5 FHBDRO CC(C)[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccsc1 ZINC000421005477 942298643 /nfs/dbraw/zinc/29/86/43/942298643.db2.gz JIQLGEYOGRMLHL-HOCLYGCPSA-N 1 0 364.467 3.868 20 5 FHBDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000513738743 942312989 /nfs/dbraw/zinc/31/29/89/942312989.db2.gz YVBZGIKCGQTTEU-UHFFFAOYSA-N 1 0 355.438 3.675 20 5 FHBDRO Cc1ccccc1[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000501112610 942315484 /nfs/dbraw/zinc/31/54/84/942315484.db2.gz ZSBDMHAGFGNCKL-MRXNPFEDSA-N 1 0 353.422 3.721 20 5 FHBDRO O=C(CC[N@@H+]1CC[C@@H](c2cccc(F)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501138285 942325224 /nfs/dbraw/zinc/32/52/24/942325224.db2.gz XOOZZQYNVJAKAN-OAHLLOKOSA-N 1 0 357.385 3.552 20 5 FHBDRO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(C)(C)C[NH+]1CCCC1 ZINC000416091312 942330989 /nfs/dbraw/zinc/33/09/89/942330989.db2.gz FZZUOKHINSREHX-UHFFFAOYSA-N 1 0 361.467 3.756 20 5 FHBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1[N+](=O)[O-] ZINC000502319726 942351752 /nfs/dbraw/zinc/35/17/52/942351752.db2.gz KECVIKJVBSEGNY-QGZVFWFLSA-N 1 0 354.454 3.816 20 5 FHBDRO COc1c(O)ccc(C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000893170580 942368399 /nfs/dbraw/zinc/36/83/99/942368399.db2.gz YIZHWNAFCWBXCS-CQSZACIVSA-N 1 0 371.437 3.760 20 5 FHBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2F)CC1 ZINC000366828334 942442371 /nfs/dbraw/zinc/44/23/71/942442371.db2.gz YHOXHHZKWBGSBF-AWEZNQCLSA-N 1 0 371.412 3.689 20 5 FHBDRO C[NH+](C)[C@@H](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000416184654 942450920 /nfs/dbraw/zinc/45/09/20/942450920.db2.gz PSCUUZKOVBQNOK-FQEVSTJZSA-N 1 0 367.449 3.779 20 5 FHBDRO O=[N+]([O-])c1cnc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c(F)c1 ZINC000413216364 942490044 /nfs/dbraw/zinc/49/00/44/942490044.db2.gz RMWCLVDEHHQZBE-UHFFFAOYSA-N 1 0 370.428 3.621 20 5 FHBDRO CC[NH2+]Cc1ccccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000237066255 942494340 /nfs/dbraw/zinc/49/43/40/942494340.db2.gz GSYOXXFUVDPOSB-CYBMUJFWSA-N 1 0 359.451 3.824 20 5 FHBDRO O=[N+]([O-])c1ccc(NCC2CCN(c3cc[nH+]cc3)CC2)c2cccnc21 ZINC000413225187 942510845 /nfs/dbraw/zinc/51/08/45/942510845.db2.gz NIHAPFYJLSQTBL-UHFFFAOYSA-N 1 0 363.421 3.867 20 5 FHBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CCO1 ZINC000421370679 942521011 /nfs/dbraw/zinc/52/10/11/942521011.db2.gz CEJHWDCXJINSHV-UONOGXRCSA-N 1 0 360.410 3.911 20 5 FHBDRO COc1ccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000413699791 942523690 /nfs/dbraw/zinc/52/36/90/942523690.db2.gz VEAICWCHNKQGFF-UHFFFAOYSA-N 1 0 369.421 3.842 20 5 FHBDRO CCCn1nccc1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000501577573 942558691 /nfs/dbraw/zinc/55/86/91/942558691.db2.gz XEBSRQTYPSGHAT-UHFFFAOYSA-N 1 0 358.442 3.590 20 5 FHBDRO CC(C)C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000501698160 942619975 /nfs/dbraw/zinc/61/99/75/942619975.db2.gz DJYLIWJPNLIHIT-QUCCMNQESA-N 1 0 358.438 3.712 20 5 FHBDRO COc1cc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000511542099 942620250 /nfs/dbraw/zinc/62/02/50/942620250.db2.gz NNVFEXMJJOCKOR-KRWDZBQOSA-N 1 0 374.412 3.958 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000421565172 942650103 /nfs/dbraw/zinc/65/01/03/942650103.db2.gz USXQVIKPDVBUOF-QGZVFWFLSA-N 1 0 369.421 3.849 20 5 FHBDRO Cc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)cc1[N+](=O)[O-] ZINC000425090791 942753535 /nfs/dbraw/zinc/75/35/35/942753535.db2.gz XUHJLYRXENSRLR-UHFFFAOYSA-N 1 0 374.466 3.769 20 5 FHBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000421700059 942771351 /nfs/dbraw/zinc/77/13/51/942771351.db2.gz CXWKRUWYAMXCJS-MRXNPFEDSA-N 1 0 369.421 3.553 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000505456999 942823210 /nfs/dbraw/zinc/82/32/10/942823210.db2.gz GWBYKYADPLWCPG-UHFFFAOYSA-N 1 0 365.499 3.511 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000434891418 943022142 /nfs/dbraw/zinc/02/21/42/943022142.db2.gz HRZYOCSGFYNSJP-CRAIPNDOSA-N 1 0 353.422 3.720 20 5 FHBDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000434892330 943022481 /nfs/dbraw/zinc/02/24/81/943022481.db2.gz QJXMTNJSLLAQLB-YSGRDPCXSA-N 1 0 365.433 3.578 20 5 FHBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000505564862 943045739 /nfs/dbraw/zinc/04/57/39/943045739.db2.gz QCJYVUXIJUSPRZ-UHFFFAOYSA-N 1 0 374.444 3.979 20 5 FHBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cnc(-c4ccccc4)s3)CC2)n1 ZINC000365820335 943054849 /nfs/dbraw/zinc/05/48/49/943054849.db2.gz MOGRKOLIUYAGDT-UHFFFAOYSA-N 1 0 369.450 3.752 20 5 FHBDRO CCC[N@H+](CC)Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000434988468 943089533 /nfs/dbraw/zinc/08/95/33/943089533.db2.gz SLNJHZIUAGOAAO-UHFFFAOYSA-N 1 0 350.337 3.776 20 5 FHBDRO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H](c1ccccc1)[NH+](C)C ZINC000505607623 943165622 /nfs/dbraw/zinc/16/56/22/943165622.db2.gz MNBRATZENQBPSM-ORAYPTAESA-N 1 0 367.405 3.762 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1OC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000760016908 943184325 /nfs/dbraw/zinc/18/43/25/943184325.db2.gz KDIVMSZGJWCPCJ-KRWDZBQOSA-N 1 0 354.406 3.721 20 5 FHBDRO O=C(Nc1ccccc1)N1CC[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000510023404 943222451 /nfs/dbraw/zinc/22/24/51/943222451.db2.gz MAKJMVAEPCGFKD-POZKEBTKSA-N 1 0 366.421 3.504 20 5 FHBDRO CN(CCC[NH+](C)C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000514694241 943226790 /nfs/dbraw/zinc/22/67/90/943226790.db2.gz YCZDZRGGANWPHR-UHFFFAOYSA-N 1 0 361.417 3.910 20 5 FHBDRO Cc1c(C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)cccc1[N+](=O)[O-] ZINC001269933360 943308142 /nfs/dbraw/zinc/30/81/42/943308142.db2.gz VIDLIQDOLRCCOC-LJQANCHMSA-N 1 0 369.465 3.790 20 5 FHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000422890585 943320275 /nfs/dbraw/zinc/32/02/75/943320275.db2.gz SLPMMIPYDIPHCZ-GFCCVEGCSA-N 1 0 359.451 3.657 20 5 FHBDRO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000423016866 943366115 /nfs/dbraw/zinc/36/61/15/943366115.db2.gz NMECIBXSDWMTBJ-NQYLQCIDSA-N 1 0 353.422 3.501 20 5 FHBDRO Cc1ccc([C@@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423277806 943469809 /nfs/dbraw/zinc/46/98/09/943469809.db2.gz OYEKFXKHKBZZHE-KDOFPFPSSA-N 1 0 355.438 3.807 20 5 FHBDRO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000423368032 943493555 /nfs/dbraw/zinc/49/35/55/943493555.db2.gz MVPAUJMPRBZEQT-JOKNJTHLSA-N 1 0 361.392 3.669 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1cn3c(n1)CCCC3)CCCC2 ZINC000417320943 943514268 /nfs/dbraw/zinc/51/42/68/943514268.db2.gz KSPLVKGXPXORLR-LJQANCHMSA-N 1 0 354.454 3.727 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOCC(F)(F)C(F)F)CCCC2 ZINC000417335846 943523983 /nfs/dbraw/zinc/52/39/83/943523983.db2.gz UETLBBBEANUCDB-AWEZNQCLSA-N 1 0 364.339 3.869 20 5 FHBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000515184418 943540511 /nfs/dbraw/zinc/54/05/11/943540511.db2.gz MBLVAIIJEQZNPP-CZUORRHYSA-N 1 0 358.417 3.572 20 5 FHBDRO CC(C)(C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)C1(O)CCOCC1 ZINC000417383915 943561042 /nfs/dbraw/zinc/56/10/42/943561042.db2.gz PMXYANPHTQCJHE-SFHVURJKSA-N 1 0 362.470 3.520 20 5 FHBDRO CCC[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000417384927 943562202 /nfs/dbraw/zinc/56/22/02/943562202.db2.gz QNKVJQHAOAJVID-KRWDZBQOSA-N 1 0 350.459 3.593 20 5 FHBDRO CC(C)(CO)[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000566476352 943573197 /nfs/dbraw/zinc/57/31/97/943573197.db2.gz XWXSSGVHFGRFKN-RTBURBONSA-N 1 0 354.450 3.974 20 5 FHBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000423740658 943613891 /nfs/dbraw/zinc/61/38/91/943613891.db2.gz JGYOJFXKRBTONJ-KBPBESRZSA-N 1 0 371.462 3.603 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000504591737 943703383 /nfs/dbraw/zinc/70/33/83/943703383.db2.gz JOTWUUMGKWQYFQ-ZIAGYGMSSA-N 1 0 365.499 3.652 20 5 FHBDRO Cc1ccsc1C[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506046611 943788979 /nfs/dbraw/zinc/78/89/79/943788979.db2.gz ZZOFTXHEBWYAEG-UHFFFAOYSA-N 1 0 356.451 3.997 20 5 FHBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000515333381 943804208 /nfs/dbraw/zinc/80/42/08/943804208.db2.gz NCJNFZHWWPZRDH-UHFFFAOYSA-N 1 0 362.817 3.918 20 5 FHBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C2([NH3+])CCCCC2)no1 ZINC000424343082 943873898 /nfs/dbraw/zinc/87/38/98/943873898.db2.gz JFUCIEMBEDJHCT-JTQLQIEISA-N 1 0 366.805 3.889 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]CCc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000504900188 943876990 /nfs/dbraw/zinc/87/69/90/943876990.db2.gz SUEGHPLZSWJJFJ-AWEZNQCLSA-N 1 0 372.421 3.658 20 5 FHBDRO CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000516997892 943901129 /nfs/dbraw/zinc/90/11/29/943901129.db2.gz MZXGMPSSODKCGJ-UHFFFAOYSA-N 1 0 357.454 3.687 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)c1ccccc1 ZINC000504905680 943903326 /nfs/dbraw/zinc/90/33/26/943903326.db2.gz MJDOZJVUKMPJNH-DLBZAZTESA-N 1 0 360.479 3.831 20 5 FHBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000424417065 943913685 /nfs/dbraw/zinc/91/36/85/943913685.db2.gz LOKZJRQBXGSTBD-QZTJIDSGSA-N 1 0 370.409 3.779 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(N(C)C)nc1 ZINC000504931511 943928034 /nfs/dbraw/zinc/92/80/34/943928034.db2.gz YNLVYCWXMQLRME-HNNXBMFYSA-N 1 0 360.483 3.716 20 5 FHBDRO CC[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1CCOCC1 ZINC000425452280 943959637 /nfs/dbraw/zinc/95/96/37/943959637.db2.gz CUWWCQOFVPVKPG-CQSZACIVSA-N 1 0 357.248 3.652 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1 ZINC000511645231 943992101 /nfs/dbraw/zinc/99/21/01/943992101.db2.gz FXOAJAGLMSSOBW-NJDAHSKKSA-N 1 0 352.434 3.642 20 5 FHBDRO O=C(CC[N@@H+]1CC[C@H](c2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500078220 944065804 /nfs/dbraw/zinc/06/58/04/944065804.db2.gz XQMSBRJAMABKJK-HNNXBMFYSA-N 1 0 357.385 3.552 20 5 FHBDRO CCS[C@@H]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000500116439 944124840 /nfs/dbraw/zinc/12/48/40/944124840.db2.gz OCYKLPUKLDXYNB-UONOGXRCSA-N 1 0 351.472 3.529 20 5 FHBDRO Cc1c(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000436265781 944141534 /nfs/dbraw/zinc/14/15/34/944141534.db2.gz YLHLEEITJDQILQ-MRXNPFEDSA-N 1 0 360.458 3.822 20 5 FHBDRO C[NH+](C)[C@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])c1ccccc1 ZINC000436275485 944172420 /nfs/dbraw/zinc/17/24/20/944172420.db2.gz PXPRQNBPJCVXHL-CYBMUJFWSA-N 1 0 354.332 3.723 20 5 FHBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](CC)CSc2ccccc2[N+](=O)[O-])C1 ZINC000436304210 944187739 /nfs/dbraw/zinc/18/77/39/944187739.db2.gz XLHFDMLWWPLTDK-KFWWJZLASA-N 1 0 366.483 3.787 20 5 FHBDRO CC(C)(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1(O)CCOCC1 ZINC000418139363 944197927 /nfs/dbraw/zinc/19/79/27/944197927.db2.gz VUGQNZMEGMIBIS-UHFFFAOYSA-N 1 0 374.437 3.512 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCN(CC(F)F)C2)s1 ZINC000418143194 944205812 /nfs/dbraw/zinc/20/58/12/944205812.db2.gz ZXNLHNHHUKDRIZ-GFCCVEGCSA-N 1 0 367.421 3.752 20 5 FHBDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1(C)C ZINC000436390399 944259058 /nfs/dbraw/zinc/25/90/58/944259058.db2.gz OZEMNVZCGWTYTO-ICSRJNTNSA-N 1 0 374.437 3.511 20 5 FHBDRO Cc1c(C[N@@H+](C)C2CCN(C(=O)c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000500217098 944273895 /nfs/dbraw/zinc/27/38/95/944273895.db2.gz WRTLBPGKAJVZNJ-UHFFFAOYSA-N 1 0 367.449 3.640 20 5 FHBDRO C[N@H+]1C[C@H]2CN(Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000425959063 944408172 /nfs/dbraw/zinc/40/81/72/944408172.db2.gz IPLROHWJQFYZOU-IYBDPMFKSA-N 1 0 371.412 3.520 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCCc4ccc(O)cc43)c2c1 ZINC000518456214 944408762 /nfs/dbraw/zinc/40/87/62/944408762.db2.gz CCGUPUFUNFDPFL-LJQANCHMSA-N 1 0 351.406 3.991 20 5 FHBDRO Cc1cc(NC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000473788361 944466954 /nfs/dbraw/zinc/46/69/54/944466954.db2.gz QQGYHWSXYWUJKR-OAHLLOKOSA-N 1 0 356.426 3.545 20 5 FHBDRO COc1cc2c(c(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])c1)O[C@H](C)C2 ZINC000516116900 944500258 /nfs/dbraw/zinc/50/02/58/944500258.db2.gz YYAIWWDVBMBFTC-CQSZACIVSA-N 1 0 356.422 3.601 20 5 FHBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc(OC4CCCC4)c3)CC2)n1 ZINC000425981675 944501769 /nfs/dbraw/zinc/50/17/69/944501769.db2.gz SIBQFAHNWRKBKC-UHFFFAOYSA-N 1 0 370.453 3.950 20 5 FHBDRO CC1(C)CCC[C@](O)(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000438350959 944514678 /nfs/dbraw/zinc/51/46/78/944514678.db2.gz ZIDFYDNJBWSKSB-QGZVFWFLSA-N 1 0 358.385 3.617 20 5 FHBDRO C[C@@H]1C[C@H](c2ccccc2)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000439315546 944521706 /nfs/dbraw/zinc/52/17/06/944521706.db2.gz JKCJOVRDEKBADC-NVXWUHKLSA-N 1 0 353.422 3.801 20 5 FHBDRO C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000439330334 944543040 /nfs/dbraw/zinc/54/30/40/944543040.db2.gz ZHLDDXRXZOTXOQ-NEWSRXKRSA-N 1 0 370.449 3.603 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccc(F)cc1F ZINC000025071156 944545682 /nfs/dbraw/zinc/54/56/82/944545682.db2.gz ODPZIYWTDGKQII-UHFFFAOYSA-N 1 0 363.364 3.642 20 5 FHBDRO Cc1ccccc1C(C)(C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000550263289 944598215 /nfs/dbraw/zinc/59/82/15/944598215.db2.gz WNQUWSQTJRJDFE-UHFFFAOYSA-N 1 0 369.421 3.726 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH+](CCc2cccs2)CC1 ZINC000516238344 944607418 /nfs/dbraw/zinc/60/74/18/944607418.db2.gz GBUVICVCLFQHLZ-UHFFFAOYSA-N 1 0 351.859 3.674 20 5 FHBDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000566701781 944637987 /nfs/dbraw/zinc/63/79/87/944637987.db2.gz JZRLTUMVZVFFFM-VLIAUNLRSA-N 1 0 353.422 3.984 20 5 FHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418462592 944641224 /nfs/dbraw/zinc/64/12/24/944641224.db2.gz NHXJBIQQKNZCHY-OAHLLOKOSA-N 1 0 370.453 3.735 20 5 FHBDRO C[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[N@@H+]1CCCC[C@H]1C ZINC000426031533 944694181 /nfs/dbraw/zinc/69/41/81/944694181.db2.gz YHKBEMJBKAKXGS-CVEARBPZSA-N 1 0 374.485 3.532 20 5 FHBDRO C[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[N@@H+]1CCCC[C@H]1C ZINC000426031535 944694608 /nfs/dbraw/zinc/69/46/08/944694608.db2.gz YHKBEMJBKAKXGS-HZPDHXFCSA-N 1 0 374.485 3.532 20 5 FHBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CCC1 ZINC000438513158 944705434 /nfs/dbraw/zinc/70/54/34/944705434.db2.gz JPVFXJDFWATDJL-UHFFFAOYSA-N 1 0 369.421 3.601 20 5 FHBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1csc(Br)c1 ZINC000516309718 944710624 /nfs/dbraw/zinc/71/06/24/944710624.db2.gz RRNMPPYMLBVLFA-UHFFFAOYSA-N 1 0 371.256 3.930 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3Cc4ccccc4O3)o2)cc1 ZINC000518772543 944728904 /nfs/dbraw/zinc/72/89/04/944728904.db2.gz KDTCGNHBJBVHGW-SFHVURJKSA-N 1 0 350.374 3.948 20 5 FHBDRO O=C(CC[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000584585785 944777132 /nfs/dbraw/zinc/77/71/32/944777132.db2.gz XAWVCZOQZRZPMF-OLZOCXBDSA-N 1 0 373.375 3.882 20 5 FHBDRO CC(C)N(CC[NH+](C)C)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000439627518 944834355 /nfs/dbraw/zinc/83/43/55/944834355.db2.gz VDBCSHVEMOAUSE-UHFFFAOYSA-N 1 0 370.453 3.751 20 5 FHBDRO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000506296372 944836395 /nfs/dbraw/zinc/83/63/95/944836395.db2.gz YPUVOJVLWLMADB-AHKGRUIUSA-N 1 0 365.433 3.959 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000506296299 944836692 /nfs/dbraw/zinc/83/66/92/944836692.db2.gz XZIMAAKBOISIEN-KBPBESRZSA-N 1 0 362.474 3.781 20 5 FHBDRO CC(C)(C)[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000507002777 944870248 /nfs/dbraw/zinc/87/02/48/944870248.db2.gz RWNXINKIADSDJF-FQEVSTJZSA-N 1 0 367.449 3.861 20 5 FHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000507003127 944871355 /nfs/dbraw/zinc/87/13/55/944871355.db2.gz UBRNZYHMHGXENV-JSGCOSHPSA-N 1 0 357.439 3.551 20 5 FHBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000437835901 944938324 /nfs/dbraw/zinc/93/83/24/944938324.db2.gz CTGXQUULDLWABF-INIZCTEOSA-N 1 0 370.453 3.603 20 5 FHBDRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000543205844 944993382 /nfs/dbraw/zinc/99/33/82/944993382.db2.gz BWPOFYUYXFDODB-DKSSEZFCSA-N 1 0 374.412 3.557 20 5 FHBDRO Cc1ccccc1[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000507176682 945007561 /nfs/dbraw/zinc/00/75/61/945007561.db2.gz DUSHDWASSINIBW-INIZCTEOSA-N 1 0 364.405 3.943 20 5 FHBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000426506068 945015367 /nfs/dbraw/zinc/01/53/67/945015367.db2.gz BLFDOKYUGNUIKX-LBPRGKRZSA-N 1 0 373.906 3.577 20 5 FHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000511746343 945016098 /nfs/dbraw/zinc/01/60/98/945016098.db2.gz YUEOPBBKSSYVBE-IBGZPJMESA-N 1 0 367.449 3.625 20 5 FHBDRO COc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)ccc1[N+](=O)[O-] ZINC000511764166 945059268 /nfs/dbraw/zinc/05/92/68/945059268.db2.gz CTZRCGASKIFJDI-CEXWTWQISA-N 1 0 368.433 3.608 20 5 FHBDRO C[C@H](CO[C@H]1CCOC1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000151258905 945386798 /nfs/dbraw/zinc/38/67/98/945386798.db2.gz DKTQEKSGXXPULK-KGLIPLIRSA-N 1 0 362.451 3.607 20 5 FHBDRO CC[C@@H](C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccccc1 ZINC000507677827 945442681 /nfs/dbraw/zinc/44/26/81/945442681.db2.gz NNBKAOJJBWALHM-OAHLLOKOSA-N 1 0 371.437 3.843 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000107554078 945703997 /nfs/dbraw/zinc/70/39/97/945703997.db2.gz LQBOGWAOWYYLMU-CQSZACIVSA-N 1 0 373.478 3.961 20 5 FHBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000519771468 945728465 /nfs/dbraw/zinc/72/84/65/945728465.db2.gz QCBWMJQMJUXYIG-HIFRSBDPSA-N 1 0 371.462 3.555 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000181759922 945749971 /nfs/dbraw/zinc/74/99/71/945749971.db2.gz YFGHPHCFJVJCMU-CYBMUJFWSA-N 1 0 353.378 3.939 20 5 FHBDRO CCOC(=O)CC(C)(C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549531888 945765941 /nfs/dbraw/zinc/76/59/41/945765941.db2.gz KKMIIVPRQNBYCP-UHFFFAOYSA-N 1 0 362.348 3.777 20 5 FHBDRO C[C@H]1CCCC[C@@H]1OCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000127148501 945841447 /nfs/dbraw/zinc/84/14/47/945841447.db2.gz CHNPDHNKZMYPQR-JXFKEZNVSA-N 1 0 361.486 3.749 20 5 FHBDRO C[N@H+](CCCc1ccccc1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000108176653 945882747 /nfs/dbraw/zinc/88/27/47/945882747.db2.gz NGRXREWREQTWJQ-UHFFFAOYSA-N 1 0 361.829 3.751 20 5 FHBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000281924910 945940563 /nfs/dbraw/zinc/94/05/63/945940563.db2.gz JVOHZJUYBQAFFS-OAHLLOKOSA-N 1 0 369.421 3.588 20 5 FHBDRO C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000522873957 946040031 /nfs/dbraw/zinc/04/00/31/946040031.db2.gz ZQGDCEVHVOSHBB-CQSZACIVSA-N 1 0 373.840 3.595 20 5 FHBDRO Cc1ccccc1[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549545525 946059251 /nfs/dbraw/zinc/05/92/51/946059251.db2.gz YJLIWLXSTHMAQV-INIZCTEOSA-N 1 0 354.328 3.745 20 5 FHBDRO CN(c1ccccc1)c1ccc(CN2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000125451010 946063110 /nfs/dbraw/zinc/06/31/10/946063110.db2.gz GALFQDZTGWUDKH-GOSISDBHSA-N 1 0 368.481 3.746 20 5 FHBDRO COc1ccccc1[C@@H](CNc1cccc(OC)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000475454561 946077845 /nfs/dbraw/zinc/07/78/45/946077845.db2.gz XZNPUPYXNVZVJW-QGZVFWFLSA-N 1 0 371.437 3.861 20 5 FHBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCOc1ccccc1Cl ZINC000520059513 946081127 /nfs/dbraw/zinc/08/11/27/946081127.db2.gz IMTVQMWBPBNMOM-UHFFFAOYSA-N 1 0 350.802 3.638 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000248742365 946096075 /nfs/dbraw/zinc/09/60/75/946096075.db2.gz DVBNHKCOUAIFHK-IAGOWNOFSA-N 1 0 359.470 3.630 20 5 FHBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248662214 946158261 /nfs/dbraw/zinc/15/82/61/946158261.db2.gz GLRKCLUCHWWECT-WMLDXEAASA-N 1 0 357.458 3.585 20 5 FHBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000522985973 946204345 /nfs/dbraw/zinc/20/43/45/946204345.db2.gz XRAMQLLYUVQIGB-UHFFFAOYSA-N 1 0 373.840 3.774 20 5 FHBDRO C/C(=C\C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000785283392 946226541 /nfs/dbraw/zinc/22/65/41/946226541.db2.gz RUABKALSFNFVJK-WECAROLCSA-N 1 0 359.470 3.626 20 5 FHBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000236730409 946230193 /nfs/dbraw/zinc/23/01/93/946230193.db2.gz YDDKFTIAWUBVIA-INIZCTEOSA-N 1 0 361.829 3.801 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1NCc1cccc(C[NH+]3CCCC3)c1)CCN2 ZINC000302817085 946336331 /nfs/dbraw/zinc/33/63/31/946336331.db2.gz BYFRZBHEHSKQAR-UHFFFAOYSA-N 1 0 352.438 3.771 20 5 FHBDRO C[C@H]1C[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCS1 ZINC000896951654 946358959 /nfs/dbraw/zinc/35/89/59/946358959.db2.gz LHELRRFEVCNCAB-JGVFFNPUSA-N 1 0 351.291 3.793 20 5 FHBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCS1 ZINC000896951653 946359093 /nfs/dbraw/zinc/35/90/93/946359093.db2.gz LHELRRFEVCNCAB-HTQZYQBOSA-N 1 0 351.291 3.793 20 5 FHBDRO CSc1cccc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000186485369 946395834 /nfs/dbraw/zinc/39/58/34/946395834.db2.gz BLUOLLWYMMSNGP-CQSZACIVSA-N 1 0 373.478 3.567 20 5 FHBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001126120533 946397164 /nfs/dbraw/zinc/39/71/64/946397164.db2.gz FUNMFFJKIHHYEW-OAHLLOKOSA-N 1 0 374.824 3.984 20 5 FHBDRO Cc1cccc(CC2(O)CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000475493739 946431619 /nfs/dbraw/zinc/43/16/19/946431619.db2.gz OTOYGDAGCGPOFT-UHFFFAOYSA-N 1 0 354.450 3.781 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@]3(C)CCCC[C@@H]3O)o2)c([N+](=O)[O-])c1 ZINC000237429692 946457625 /nfs/dbraw/zinc/45/76/25/946457625.db2.gz AIRLFMKUVVTILF-VQTJNVASSA-N 1 0 374.437 3.894 20 5 FHBDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])c1 ZINC000441362462 946487822 /nfs/dbraw/zinc/48/78/22/946487822.db2.gz YUVHEYBRXZEBOF-GOSISDBHSA-N 1 0 355.438 3.877 20 5 FHBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000475144007 946492479 /nfs/dbraw/zinc/49/24/79/946492479.db2.gz KLMBPXPAYGRXIC-HOTGVXAUSA-N 1 0 363.458 3.736 20 5 FHBDRO COc1ccc(OCC[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000441395903 946551670 /nfs/dbraw/zinc/55/16/70/946551670.db2.gz NYMUMGAJKCORBX-HOCLYGCPSA-N 1 0 374.412 3.999 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C(C)(C)CCc1ccccc1 ZINC000151963337 946704316 /nfs/dbraw/zinc/70/43/16/946704316.db2.gz BWDSKTXDWBJUES-UHFFFAOYSA-N 1 0 355.438 3.843 20 5 FHBDRO C[C@H](CC[NH+](C)C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237446739 946713673 /nfs/dbraw/zinc/71/36/73/946713673.db2.gz IGOZRCCKBZNCMO-GFCCVEGCSA-N 1 0 351.834 3.938 20 5 FHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1ccccc1F ZINC000475572823 946713771 /nfs/dbraw/zinc/71/37/71/946713771.db2.gz KIESABOEWDRINK-AWEZNQCLSA-N 1 0 359.401 3.673 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H]3Cc3ccccc3)n2)c1 ZINC000025938035 946905233 /nfs/dbraw/zinc/90/52/33/946905233.db2.gz CKFGGDKKEMXXHD-KRWDZBQOSA-N 1 0 364.405 3.852 20 5 FHBDRO Cc1cc(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000487386270 946919392 /nfs/dbraw/zinc/91/93/92/946919392.db2.gz GLKKGAOOGVUPJV-SJLPKXTDSA-N 1 0 367.449 3.544 20 5 FHBDRO Cc1cccnc1[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000112657503 946920062 /nfs/dbraw/zinc/92/00/62/946920062.db2.gz KIQZLLYREZLZBV-LJQANCHMSA-N 1 0 370.453 3.922 20 5 FHBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@H]1C ZINC000475361808 946953719 /nfs/dbraw/zinc/95/37/19/946953719.db2.gz KMUAUHQSUQNRBX-DZGCQCFKSA-N 1 0 374.462 3.954 20 5 FHBDRO COCCCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000444583339 947025977 /nfs/dbraw/zinc/02/59/77/947025977.db2.gz NSGOGMMMSMYPPZ-UHFFFAOYSA-N 1 0 368.437 3.900 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H](Cc4ccc(F)cc4)C3)nc2c1 ZINC000444644207 947066767 /nfs/dbraw/zinc/06/67/67/947066767.db2.gz VGQDYUWPLAXIDX-CQSZACIVSA-N 1 0 354.385 3.675 20 5 FHBDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444642156 947085002 /nfs/dbraw/zinc/08/50/02/947085002.db2.gz RADZKOOVUCNFID-MRXNPFEDSA-N 1 0 350.422 3.987 20 5 FHBDRO COc1ccccc1C[C@H](C)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000441427712 947087475 /nfs/dbraw/zinc/08/74/75/947087475.db2.gz HPQDWWNRZNLNEN-INIZCTEOSA-N 1 0 358.438 3.935 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)nc2c1 ZINC000444689788 947113389 /nfs/dbraw/zinc/11/33/89/947113389.db2.gz PGAMTSYEWTVBGW-RDTXWAMCSA-N 1 0 366.421 3.729 20 5 FHBDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2C1 ZINC000184521797 947160398 /nfs/dbraw/zinc/16/03/98/947160398.db2.gz WQOJEWGUXFSGBB-RBZFPXEDSA-N 1 0 371.412 3.878 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074448511 947170506 /nfs/dbraw/zinc/17/05/06/947170506.db2.gz JPFDSBDPKVGODD-IBGZPJMESA-N 1 0 367.449 3.640 20 5 FHBDRO COc1cc(C[N@@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000440543782 947189290 /nfs/dbraw/zinc/18/92/90/947189290.db2.gz ONJLVHPPILXDBQ-IIMJZQEZSA-N 1 0 360.454 3.773 20 5 FHBDRO Cc1c(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000444791132 947230770 /nfs/dbraw/zinc/23/07/70/947230770.db2.gz LXYKOEPBVYEHJF-UHFFFAOYSA-N 1 0 354.450 3.720 20 5 FHBDRO C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000523486509 947304261 /nfs/dbraw/zinc/30/42/61/947304261.db2.gz UEKAIPFKXXKFNR-INIZCTEOSA-N 1 0 369.465 3.509 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)c1 ZINC000546246530 947343892 /nfs/dbraw/zinc/34/38/92/947343892.db2.gz YPGLZEUYRURAHC-UHFFFAOYSA-N 1 0 350.378 3.908 20 5 FHBDRO COc1ccc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cc1OC(F)F ZINC000523702138 947527903 /nfs/dbraw/zinc/52/79/03/947527903.db2.gz XJSMOKCXVQBWHZ-UHFFFAOYSA-N 1 0 366.364 3.879 20 5 FHBDRO CC(C)[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCS1 ZINC000072836946 947556966 /nfs/dbraw/zinc/55/69/66/947556966.db2.gz DCSPSXDMSVBEMW-KRWDZBQOSA-N 1 0 361.467 3.866 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000093971239 947620572 /nfs/dbraw/zinc/62/05/72/947620572.db2.gz WLBYVANYVMJJKN-INIZCTEOSA-N 1 0 361.486 3.904 20 5 FHBDRO C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000445292579 947684167 /nfs/dbraw/zinc/68/41/67/947684167.db2.gz HOVLXBFNAUDHTA-RDTXWAMCSA-N 1 0 352.438 3.726 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000278863763 947738588 /nfs/dbraw/zinc/73/85/88/947738588.db2.gz LKYQSUJQOUFXSV-UHFFFAOYSA-N 1 0 370.453 3.516 20 5 FHBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2c(F)ccc(Br)c2F)c1 ZINC000500439626 947743436 /nfs/dbraw/zinc/74/34/36/947743436.db2.gz KCGFRLRWSJOCGR-UHFFFAOYSA-N 1 0 371.181 3.968 20 5 FHBDRO Cc1ccc([C@H]2[C@H](C)CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000536378805 947851614 /nfs/dbraw/zinc/85/16/14/947851614.db2.gz MUSQUASIQSIDTH-OXQOHEQNSA-N 1 0 355.438 3.538 20 5 FHBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC(c2ncc3n2CCCC3)CC1 ZINC000278867027 947866060 /nfs/dbraw/zinc/86/60/60/947866060.db2.gz NHWYSCCVMNNXGR-UHFFFAOYSA-N 1 0 370.453 3.658 20 5 FHBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000536391142 947957364 /nfs/dbraw/zinc/95/73/64/947957364.db2.gz OHLXGTATJIYGHX-KRWDZBQOSA-N 1 0 366.465 3.825 20 5 FHBDRO O=[N+]([O-])c1cc(C[NH2+]CCOc2ccc(Br)cc2)cs1 ZINC000105461901 948037973 /nfs/dbraw/zinc/03/79/73/948037973.db2.gz GDEYMWBYXHTGPJ-UHFFFAOYSA-N 1 0 357.229 3.587 20 5 FHBDRO COc1ccc(Br)cc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000105477216 948040106 /nfs/dbraw/zinc/04/01/06/948040106.db2.gz FKZJJYADWJLIPE-UHFFFAOYSA-N 1 0 365.227 3.964 20 5 FHBDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000236797301 948042155 /nfs/dbraw/zinc/04/21/55/948042155.db2.gz QCOCREWNGNVJOU-WBVHZDCISA-N 1 0 363.458 3.768 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)Cc3ccccc3)o2)cc1 ZINC000105492970 948044593 /nfs/dbraw/zinc/04/45/93/948044593.db2.gz FPSDSXDRSHJKBB-GOSISDBHSA-N 1 0 352.390 3.548 20 5 FHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000184652240 948064943 /nfs/dbraw/zinc/06/49/43/948064943.db2.gz VVEQCSTVALTNHD-IBGZPJMESA-N 1 0 369.465 3.542 20 5 FHBDRO CC(C)[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000181978120 948153694 /nfs/dbraw/zinc/15/36/94/948153694.db2.gz IVZNQEPLMZNAJO-IBGZPJMESA-N 1 0 360.385 3.992 20 5 FHBDRO CCOc1ccc(NC(=O)C[N@H+](C)C(C)(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000585754366 948264772 /nfs/dbraw/zinc/26/47/72/948264772.db2.gz KDWVQMJAQGGDHH-UHFFFAOYSA-N 1 0 371.437 3.799 20 5 FHBDRO C[N@H+](CCCc1ccccc1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728895832 948575922 /nfs/dbraw/zinc/57/59/22/948575922.db2.gz CEGOZXJIRFWPLB-UHFFFAOYSA-N 1 0 350.422 3.980 20 5 FHBDRO C[C@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000512165033 948602731 /nfs/dbraw/zinc/60/27/31/948602731.db2.gz KQDDACKIDOVSHM-KSSFIOAISA-N 1 0 353.422 3.667 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)co2)cc1 ZINC000279251371 948660152 /nfs/dbraw/zinc/66/01/52/948660152.db2.gz LGNCEAFXYKNWBY-KSZLIROESA-N 1 0 369.421 3.687 20 5 FHBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000524045938 948813287 /nfs/dbraw/zinc/81/32/87/948813287.db2.gz MUMCAAOPSXLLQW-HNNXBMFYSA-N 1 0 370.453 3.799 20 5 FHBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000109531856 206058519 /nfs/dbraw/zinc/05/85/19/206058519.db2.gz VQGXMDZNZPMTQM-OAHLLOKOSA-N 1 0 357.385 3.585 20 5 FHBDRO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000109869028 206066398 /nfs/dbraw/zinc/06/63/98/206066398.db2.gz QAUGERBXIOWEIT-INIZCTEOSA-N 1 0 355.438 3.877 20 5 FHBDRO C[C@H]1C[NH+](Cc2ccccc2NCCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000541798914 567861604 /nfs/dbraw/zinc/86/16/04/567861604.db2.gz AWBBALITSUUEPH-IRXDYDNUSA-N 1 0 369.465 3.859 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000120354826 567881186 /nfs/dbraw/zinc/88/11/86/567881186.db2.gz PWSZJSPORIYESI-UHFFFAOYSA-N 1 0 362.474 3.797 20 5 FHBDRO CC[N@H+](Cc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2C)cc1)C1CC1 ZINC000481463652 567970321 /nfs/dbraw/zinc/97/03/21/567970321.db2.gz HUVLYFWRNYOFLV-UHFFFAOYSA-N 1 0 367.449 3.818 20 5 FHBDRO Cc1c(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000481488412 567988378 /nfs/dbraw/zinc/98/83/78/567988378.db2.gz CSBQTBXBYBDTJD-UHFFFAOYSA-N 1 0 367.405 3.641 20 5 FHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCCCOCc3ccccc3)nc2c1 ZINC000602534437 567992198 /nfs/dbraw/zinc/99/21/98/567992198.db2.gz UCPCAOLCKDSOKS-UHFFFAOYSA-N 1 0 355.394 3.823 20 5 FHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CC(=O)N(C)C)c1ccccc1 ZINC000481554638 568046952 /nfs/dbraw/zinc/04/69/52/568046952.db2.gz CFOBZPXPXZLSSK-VQIMIIECSA-N 1 0 369.465 3.725 20 5 FHBDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000291237199 568086096 /nfs/dbraw/zinc/08/60/96/568086096.db2.gz QJEXMIAUEYFEKI-GJZGRUSLSA-N 1 0 368.437 3.926 20 5 FHBDRO [NH3+]CCN(Cc1cnc(-c2cccs2)s1)c1ccccc1[N+](=O)[O-] ZINC000568682102 568120541 /nfs/dbraw/zinc/12/05/41/568120541.db2.gz NQGRDTGMGGGMMK-UHFFFAOYSA-N 1 0 360.464 3.745 20 5 FHBDRO CCCn1nc(C)c(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1C ZINC000568689719 568123323 /nfs/dbraw/zinc/12/33/23/568123323.db2.gz QYDLIDSHNODKIO-UHFFFAOYSA-N 1 0 355.442 3.632 20 5 FHBDRO CCOc1ccc(NC(=O)C[N@H+](C2CC2)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000603875059 568174757 /nfs/dbraw/zinc/17/47/57/568174757.db2.gz XKKNKTPLVOWKEL-UHFFFAOYSA-N 1 0 361.442 3.729 20 5 FHBDRO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC(c2ncc[nH]2)CC1 ZINC000291607947 568226495 /nfs/dbraw/zinc/22/64/95/568226495.db2.gz XVPOGCANTSQIGS-UHFFFAOYSA-N 1 0 369.208 3.645 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CC(=O)NC)c2ccccc2)cc1[N+](=O)[O-] ZINC000482084071 568257777 /nfs/dbraw/zinc/25/77/77/568257777.db2.gz WOZJVFCMMFOEOY-YOEHRIQHSA-N 1 0 371.437 3.522 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000541934773 568258324 /nfs/dbraw/zinc/25/83/24/568258324.db2.gz UQHKRCAJALHUJY-UHFFFAOYSA-N 1 0 360.845 3.582 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000541935026 568261200 /nfs/dbraw/zinc/26/12/00/568261200.db2.gz HGGMBFWIZLBJLJ-SFHVURJKSA-N 1 0 354.454 3.565 20 5 FHBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000569024351 568275064 /nfs/dbraw/zinc/27/50/64/568275064.db2.gz HDEUOAJIBGDQQK-UHFFFAOYSA-N 1 0 373.375 3.560 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]CC3([C@@H](O)C(C)C)CC3)o2)c([N+](=O)[O-])c1 ZINC000569348171 568395766 /nfs/dbraw/zinc/39/57/66/568395766.db2.gz JPNLREHOKYMAIO-IBGZPJMESA-N 1 0 374.437 3.750 20 5 FHBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](c2c(Cl)cccc2Cl)C2CC2)c1 ZINC000569394683 568400504 /nfs/dbraw/zinc/40/05/04/568400504.db2.gz JILJIMMSNRHJTM-HNNXBMFYSA-N 1 0 355.225 3.839 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1CN1CCN(c2ccccc2Cl)CC1 ZINC000058747956 568406758 /nfs/dbraw/zinc/40/67/58/568406758.db2.gz CXSGMPTUVOICQZ-UHFFFAOYSA-N 1 0 361.829 3.579 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000569635370 568411567 /nfs/dbraw/zinc/41/15/67/568411567.db2.gz ZXTKKOIPHFGFSW-RBUKOAKNSA-N 1 0 366.465 3.565 20 5 FHBDRO Cc1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)c(Br)cc1[N+](=O)[O-] ZINC000570109614 568451531 /nfs/dbraw/zinc/45/15/31/568451531.db2.gz KSHREMBTKUFAIT-ZDUSSCGKSA-N 1 0 368.275 3.588 20 5 FHBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000570248027 568466218 /nfs/dbraw/zinc/46/62/18/568466218.db2.gz HOEHNFIBCAIBQF-QXSWTLKVSA-N 1 0 367.453 3.873 20 5 FHBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820920250 606621652 /nfs/dbraw/zinc/62/16/52/606621652.db2.gz OAWVCNOGTGVJCN-SJKOYZFVSA-N 1 0 352.398 3.577 20 5 FHBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820920251 606621726 /nfs/dbraw/zinc/62/17/26/606621726.db2.gz OAWVCNOGTGVJCN-YVEFUNNKSA-N 1 0 352.398 3.577 20 5 FHBDRO Cc1c(C)c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC001164621037 719083024 /nfs/dbraw/zinc/08/30/24/719083024.db2.gz GLTZIUXGEJYSQZ-AZUAARDMSA-N 1 0 366.465 3.707 20 5 FHBDRO O=[N+]([O-])c1ccc2ccc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nc2c1 ZINC001165049746 721968383 /nfs/dbraw/zinc/96/83/83/721968383.db2.gz WJYTXFAPCCTFAM-QGZVFWFLSA-N 1 0 354.454 3.988 20 5 FHBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001165049404 721968733 /nfs/dbraw/zinc/96/87/33/721968733.db2.gz SAHNWMJZJNIXRJ-CQSZACIVSA-N 1 0 352.866 3.796 20 5 FHBDRO O=[N+]([O-])c1cccc2nc(N3CCCC[C@H]3CC[NH+]3CCCC3)ccc21 ZINC001165046549 721969767 /nfs/dbraw/zinc/96/97/67/721969767.db2.gz GWZQBYYPSPJHGE-INIZCTEOSA-N 1 0 354.454 3.988 20 5 FHBDRO COc1cccc(N2CC[C@@H](C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])C2)c1 ZINC000583094183 937114595 /nfs/dbraw/zinc/11/45/95/937114595.db2.gz SANAZQASRLGVOW-MGPUTAFESA-N 1 0 367.449 3.707 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1 ZINC000076181418 927115094 /nfs/dbraw/zinc/11/50/94/927115094.db2.gz FXOKORUDPVKHGN-RYUDHWBXSA-N 1 0 356.266 3.810 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000157496504 927417114 /nfs/dbraw/zinc/41/71/14/927417114.db2.gz DLPMOMWXLMVXKF-KRWDZBQOSA-N 1 0 373.497 3.640 20 5 FHBDRO COC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1F ZINC000558257435 927452288 /nfs/dbraw/zinc/45/22/88/927452288.db2.gz MOQXHYWKKQVCLN-INIZCTEOSA-N 1 0 352.793 3.907 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000579793283 927538101 /nfs/dbraw/zinc/53/81/01/927538101.db2.gz MFHCUJOHAPPCEW-MRXNPFEDSA-N 1 0 361.829 3.589 20 5 FHBDRO COc1cccc([C@@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)N(C)C)c1 ZINC000133682907 927545693 /nfs/dbraw/zinc/54/56/93/927545693.db2.gz QWSKXXZVXKEBQK-MGPUTAFESA-N 1 0 357.454 3.865 20 5 FHBDRO CC1(C)[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]2CCO[C@@H]21 ZINC000153934893 927562446 /nfs/dbraw/zinc/56/24/46/927562446.db2.gz YGSSLFSMOZCVIE-JYJNAYRXSA-N 1 0 359.451 3.621 20 5 FHBDRO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000248012188 937173694 /nfs/dbraw/zinc/17/36/94/937173694.db2.gz LIVYFSNAYIQICZ-IEZWGBDMSA-N 1 0 363.502 3.691 20 5 FHBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2CCc2ccccc2)c1 ZINC001167070767 928211394 /nfs/dbraw/zinc/21/13/94/928211394.db2.gz IUUGCTSLWDKDOG-IBGZPJMESA-N 1 0 368.433 3.979 20 5 FHBDRO COc1cccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000157567390 928266011 /nfs/dbraw/zinc/26/60/11/928266011.db2.gz IFHSRPTVGAEXFQ-CVEARBPZSA-N 1 0 355.438 3.781 20 5 FHBDRO CC1(C(=O)NCc2ccccc2[N+](=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000157587935 928300476 /nfs/dbraw/zinc/30/04/76/928300476.db2.gz WEERMSJQMBHKBT-UHFFFAOYSA-N 1 0 367.449 3.513 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000157732406 928788242 /nfs/dbraw/zinc/78/82/42/928788242.db2.gz WOXZICXAJDXTPU-QGZVFWFLSA-N 1 0 373.497 3.640 20 5 FHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000134484075 928951102 /nfs/dbraw/zinc/95/11/02/928951102.db2.gz WMIBPQIKSTXROL-UHFFFAOYSA-N 1 0 373.478 3.698 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000133753179 928963032 /nfs/dbraw/zinc/96/30/32/928963032.db2.gz DETRMDIZENPYQQ-ROUUACIJSA-N 1 0 353.422 3.768 20 5 FHBDRO CS[C@H]1CCCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000134576850 929070106 /nfs/dbraw/zinc/07/01/06/929070106.db2.gz ZKWGSLHECFMAJR-DOMZBBRYSA-N 1 0 362.455 3.923 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000066854661 929233584 /nfs/dbraw/zinc/23/35/84/929233584.db2.gz YHUOYCPLGYPNGB-OAHLLOKOSA-N 1 0 371.437 3.668 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@H](C)c1ccccc1 ZINC000066854660 929234041 /nfs/dbraw/zinc/23/40/41/929234041.db2.gz YHUOYCPLGYPNGB-HNNXBMFYSA-N 1 0 371.437 3.668 20 5 FHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000187209657 929539043 /nfs/dbraw/zinc/53/90/43/929539043.db2.gz FTIDXCCIFSLRCO-SCLBCKFNSA-N 1 0 373.478 3.738 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000610003879 929774866 /nfs/dbraw/zinc/77/48/66/929774866.db2.gz LUQPIJZXKYWQAP-CQSZACIVSA-N 1 0 371.412 3.990 20 5 FHBDRO Cc1cc(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000471471642 929835864 /nfs/dbraw/zinc/83/58/64/929835864.db2.gz OPRBZHZJFADREM-INIZCTEOSA-N 1 0 355.438 3.544 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000610317193 929870487 /nfs/dbraw/zinc/87/04/87/929870487.db2.gz PGINJEGQDIAFPV-GOSISDBHSA-N 1 0 368.437 3.641 20 5 FHBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000175845951 929953410 /nfs/dbraw/zinc/95/34/10/929953410.db2.gz ZFCUFSLJBLSGQG-GDBMZVCRSA-N 1 0 350.415 3.884 20 5 FHBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1(O)CCCCCC1 ZINC000187324159 930097123 /nfs/dbraw/zinc/09/71/23/930097123.db2.gz FDARRHJBPMGZLM-UHFFFAOYSA-N 1 0 359.426 3.767 20 5 FHBDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000560910199 930240788 /nfs/dbraw/zinc/24/07/88/930240788.db2.gz QYFQUROLDPYIPP-WILYLXEWSA-N 1 0 361.392 3.969 20 5 FHBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC001167367140 930354055 /nfs/dbraw/zinc/35/40/55/930354055.db2.gz BSGUWVCTCXTQIT-IIBYNOLFSA-N 1 0 367.449 3.976 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000579498050 930392337 /nfs/dbraw/zinc/39/23/37/930392337.db2.gz QYJSXZYORNHLGV-HXUWFJFHSA-N 1 0 371.412 3.803 20 5 FHBDRO CC(C)c1ccc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000275874424 930594075 /nfs/dbraw/zinc/59/40/75/930594075.db2.gz OXKUAORIRDZWOO-QGZVFWFLSA-N 1 0 359.470 3.522 20 5 FHBDRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001167406028 930715630 /nfs/dbraw/zinc/71/56/30/930715630.db2.gz MVUBQFBJAZPFCL-AWEZNQCLSA-N 1 0 363.458 3.690 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1 ZINC000610446419 930818364 /nfs/dbraw/zinc/81/83/64/930818364.db2.gz YKNMJNRITMVULC-KRWDZBQOSA-N 1 0 367.449 3.640 20 5 FHBDRO Cc1c([C@@H](C)[NH2+]Cc2ccccc2Cn2cccn2)cccc1[N+](=O)[O-] ZINC000119259959 930974951 /nfs/dbraw/zinc/97/49/51/930974951.db2.gz KYPGVMDDMCCWGU-MRXNPFEDSA-N 1 0 350.422 3.999 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000119262286 930992338 /nfs/dbraw/zinc/99/23/38/930992338.db2.gz UTBQZPBFHCKQJL-ZDUSSCGKSA-N 1 0 373.409 3.751 20 5 FHBDRO O=[N+]([O-])c1cc(CN2CC[C@@]3(CC[NH2+]C3)C2)ccc1Oc1ccc(F)cc1 ZINC000262030876 931019415 /nfs/dbraw/zinc/01/94/15/931019415.db2.gz OBEDIUMFBHSSCW-HXUWFJFHSA-N 1 0 371.412 3.712 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1ccsc1 ZINC000471613392 931058414 /nfs/dbraw/zinc/05/84/14/931058414.db2.gz XMMNMWUHHJRDNS-KBPBESRZSA-N 1 0 352.481 3.850 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000581131982 931600734 /nfs/dbraw/zinc/60/07/34/931600734.db2.gz CZGXGPNYBLBZRB-QFBILLFUSA-N 1 0 367.449 3.544 20 5 FHBDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000126346845 931758915 /nfs/dbraw/zinc/75/89/15/931758915.db2.gz VGHGAOCPJLWQJI-KBPBESRZSA-N 1 0 373.478 3.985 20 5 FHBDRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000177998443 932001670 /nfs/dbraw/zinc/00/16/70/932001670.db2.gz GWWANVWMEXONFX-MRXNPFEDSA-N 1 0 355.438 3.603 20 5 FHBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC001125500332 932034534 /nfs/dbraw/zinc/03/45/34/932034534.db2.gz WOSQDDIFQKODDV-UHFFFAOYSA-N 1 0 359.451 3.525 20 5 FHBDRO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000135189804 932041920 /nfs/dbraw/zinc/04/19/20/932041920.db2.gz AZSIWLKPXSSRIQ-KRWDZBQOSA-N 1 0 371.481 3.740 20 5 FHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](OCc2c(C)noc2C)C1 ZINC000581456163 932090295 /nfs/dbraw/zinc/09/02/95/932090295.db2.gz SHWNALZQUFYSCG-SZJVNEJHSA-N 1 0 371.437 3.894 20 5 FHBDRO COc1ccc(C[C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000581451976 932097990 /nfs/dbraw/zinc/09/79/90/932097990.db2.gz BKGZYNADYWRZOB-AWEZNQCLSA-N 1 0 353.422 3.848 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000477276081 932445300 /nfs/dbraw/zinc/44/53/00/932445300.db2.gz AEESCUXTCWZWFO-BETUJISGSA-N 1 0 367.877 3.654 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000477370093 932522965 /nfs/dbraw/zinc/52/29/65/932522965.db2.gz ACLKKNVHAAGMCN-AWEZNQCLSA-N 1 0 365.861 3.505 20 5 FHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157435394 932546198 /nfs/dbraw/zinc/54/61/98/932546198.db2.gz CKABXDLDCUGTTJ-GOSISDBHSA-N 1 0 361.486 3.832 20 5 FHBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC3(CC2)OCc2ccccc23)cc1 ZINC000610738615 932569428 /nfs/dbraw/zinc/56/94/28/932569428.db2.gz NCAYGFTYHNCXKP-UHFFFAOYSA-N 1 0 368.433 3.885 20 5 FHBDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000090909940 932607740 /nfs/dbraw/zinc/60/77/40/932607740.db2.gz AWKAFWUWOAUWBD-OAHLLOKOSA-N 1 0 350.422 3.982 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430670344 932853234 /nfs/dbraw/zinc/85/32/34/932853234.db2.gz UJWGOGGQRDSHBE-FUHWJXTLSA-N 1 0 367.449 3.686 20 5 FHBDRO C[C@H](CO)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000101594466 932981903 /nfs/dbraw/zinc/98/19/03/932981903.db2.gz ZUNHWAILSQOARF-LBPRGKRZSA-N 1 0 350.802 3.759 20 5 FHBDRO Cc1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1-n1cncn1 ZINC000175985985 933013588 /nfs/dbraw/zinc/01/35/88/933013588.db2.gz PXPDRDWQPUSLHH-UHFFFAOYSA-N 1 0 351.410 3.509 20 5 FHBDRO CO[C@]1(C)C[C@H]([N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])C1(C)C ZINC001167490565 933076419 /nfs/dbraw/zinc/07/64/19/933076419.db2.gz DMLOYNAVVPSAIF-GOEBONIOSA-N 1 0 371.275 3.993 20 5 FHBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000588444765 933103358 /nfs/dbraw/zinc/10/33/58/933103358.db2.gz UTBGAZCPUKKBCG-IFMUVIIVSA-N 1 0 371.412 3.556 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)cc1[N+](=O)[O-] ZINC000477701765 933191486 /nfs/dbraw/zinc/19/14/86/933191486.db2.gz KBWBQDHAIIPXCI-RHSMWYFYSA-N 1 0 372.469 3.979 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1 ZINC000510542676 933206766 /nfs/dbraw/zinc/20/67/66/933206766.db2.gz BFWLQKXAEGDLKH-BEFAXECRSA-N 1 0 355.438 3.633 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000178323510 933208664 /nfs/dbraw/zinc/20/86/64/933208664.db2.gz VBYBRELZOHHGIZ-HUUCEWRRSA-N 1 0 351.410 3.896 20 5 FHBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000510548159 933212435 /nfs/dbraw/zinc/21/24/35/933212435.db2.gz QDAXHDSBCQYEMN-KKSFZXQISA-N 1 0 369.465 3.643 20 5 FHBDRO C[N@H+](CCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CCCCC1 ZINC000548392097 933313370 /nfs/dbraw/zinc/31/33/70/933313370.db2.gz DSJUCYTZZLPGLO-UHFFFAOYSA-N 1 0 359.470 3.740 20 5 FHBDRO CCCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000176062042 933900901 /nfs/dbraw/zinc/90/09/01/933900901.db2.gz GTURXAGTFXCHKX-OAHLLOKOSA-N 1 0 362.474 3.528 20 5 FHBDRO CCCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000176062027 933901197 /nfs/dbraw/zinc/90/11/97/933901197.db2.gz GTURXAGTFXCHKX-HNNXBMFYSA-N 1 0 362.474 3.528 20 5 FHBDRO C[NH+](C)CCC1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000092380933 934030459 /nfs/dbraw/zinc/03/04/59/934030459.db2.gz ACIJPNRLSKMQRK-UHFFFAOYSA-N 1 0 374.510 3.882 20 5 FHBDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000458082860 934285489 /nfs/dbraw/zinc/28/54/89/934285489.db2.gz XEFYOGZXKDWEHP-YOEHRIQHSA-N 1 0 374.441 3.631 20 5 FHBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000535733804 934328544 /nfs/dbraw/zinc/32/85/44/934328544.db2.gz UULKBTCWAOEILA-UHFFFAOYSA-N 1 0 353.378 3.963 20 5 FHBDRO CCn1c(=O)c2cc3ccccc3cc2nc1SCCn1ccnc1C ZINC000535761960 934346261 /nfs/dbraw/zinc/34/62/61/934346261.db2.gz KUHRGCKJDRQRHO-UHFFFAOYSA-N 1 0 364.474 3.867 20 5 FHBDRO CC(C)Oc1ncccc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000610800053 934447556 /nfs/dbraw/zinc/44/75/56/934447556.db2.gz OPVOBXAVJCCTRA-GOSISDBHSA-N 1 0 355.438 3.888 20 5 FHBDRO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000277032529 934461392 /nfs/dbraw/zinc/46/13/92/934461392.db2.gz FKPYZBPNXLKNGH-NSHDSACASA-N 1 0 368.842 3.503 20 5 FHBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](CCOc3ccc(F)cc3)CC2)s1 ZINC000610915160 934616031 /nfs/dbraw/zinc/61/60/31/934616031.db2.gz QNBHYQDLLKMWOX-UHFFFAOYSA-N 1 0 365.430 3.751 20 5 FHBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000065202235 934645638 /nfs/dbraw/zinc/64/56/38/934645638.db2.gz RTEXMMFESUCOAN-MRXNPFEDSA-N 1 0 370.409 3.827 20 5 FHBDRO Cc1cc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)ccc1C[NH+](C)C ZINC000458328273 934703337 /nfs/dbraw/zinc/70/33/37/934703337.db2.gz WKMFDSKQZDEJDH-UHFFFAOYSA-N 1 0 368.437 3.791 20 5 FHBDRO CC(=O)Nc1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000178485417 934836627 /nfs/dbraw/zinc/83/66/27/934836627.db2.gz ZQVXBSRZPNQISP-LJQANCHMSA-N 1 0 353.422 3.664 20 5 FHBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(Cn3cccn3)cc2)cccc1[N+](=O)[O-] ZINC000178503829 934967477 /nfs/dbraw/zinc/96/74/77/934967477.db2.gz LVCPTBJDKGVKRY-MRXNPFEDSA-N 1 0 350.422 3.999 20 5 FHBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3csc([N+](=O)[O-])c3)cc2)C1 ZINC000071958289 935093753 /nfs/dbraw/zinc/09/37/53/935093753.db2.gz VNCUZLZXNYMABJ-CQSZACIVSA-N 1 0 373.478 3.818 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000123524965 935129930 /nfs/dbraw/zinc/12/99/30/935129930.db2.gz AXBYCBCUVCEBSW-HUUCEWRRSA-N 1 0 356.875 3.735 20 5 FHBDRO CCC[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000178526548 935188206 /nfs/dbraw/zinc/18/82/06/935188206.db2.gz YHHFCVHWYCDXMC-GOSISDBHSA-N 1 0 371.485 3.976 20 5 FHBDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000157789863 935197534 /nfs/dbraw/zinc/19/75/34/935197534.db2.gz BSOLMTWYBBLMSD-TZMCWYRMSA-N 1 0 373.457 3.533 20 5 FHBDRO COC(=O)c1cc2cc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])ccc2o1 ZINC000511072656 935246323 /nfs/dbraw/zinc/24/63/23/935246323.db2.gz GQJWVYDPEQMLBN-UHFFFAOYSA-N 1 0 368.389 3.802 20 5 FHBDRO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C)[NH+]2CCCC2)cc1 ZINC000072049015 935250383 /nfs/dbraw/zinc/25/03/83/935250383.db2.gz CQRIKJHMMFDFBG-FQEVSTJZSA-N 1 0 367.449 3.779 20 5 FHBDRO CC[C@@H]([NH2+]CCc1ccc(OC)c(OC)c1OC)c1cccc([N+](=O)[O-])c1 ZINC000178556643 935492809 /nfs/dbraw/zinc/49/28/09/935492809.db2.gz OEDOJEXPUCHPSE-QGZVFWFLSA-N 1 0 374.437 3.904 20 5 FHBDRO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000511108528 935601936 /nfs/dbraw/zinc/60/19/36/935601936.db2.gz HUHXEBMVLFMBFZ-QGZVFWFLSA-N 1 0 361.442 3.587 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000127569205 935627185 /nfs/dbraw/zinc/62/71/85/935627185.db2.gz XZRXWOQFKCVNHP-INIZCTEOSA-N 1 0 360.458 3.598 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000479100367 935788391 /nfs/dbraw/zinc/78/83/91/935788391.db2.gz LEVAFSBGTVKGEB-QGZVFWFLSA-N 1 0 353.422 3.549 20 5 FHBDRO CCC[C@@H]([NH2+][C@@H](C)C(=O)N1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000479534977 935855267 /nfs/dbraw/zinc/85/52/67/935855267.db2.gz YKWUDEOZHANTKQ-MGPUTAFESA-N 1 0 367.449 3.957 20 5 FHBDRO CN(C)[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)Cc1ccccc1 ZINC000479848288 935904849 /nfs/dbraw/zinc/90/48/49/935904849.db2.gz AGZMURCUHMXYBR-RTWAWAEBSA-N 1 0 367.493 3.678 20 5 FHBDRO CN(C)[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)Cc1ccccc1 ZINC000479848290 935907919 /nfs/dbraw/zinc/90/79/19/935907919.db2.gz AGZMURCUHMXYBR-SFTDATJTSA-N 1 0 367.493 3.678 20 5 FHBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000110871437 945133332 /nfs/dbraw/zinc/13/33/32/945133332.db2.gz YIAUOTOOAJRIJD-UHFFFAOYSA-N 1 0 359.401 3.504 20 5 FHBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000480078838 935959158 /nfs/dbraw/zinc/95/91/58/935959158.db2.gz BEUMPFUQLRYTOQ-YJBOKZPZSA-N 1 0 371.485 3.832 20 5 FHBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CCCC1 ZINC000052908359 935959331 /nfs/dbraw/zinc/95/93/31/935959331.db2.gz QNJKIQQKCDVJCX-UHFFFAOYSA-N 1 0 370.247 3.560 20 5 FHBDRO C[N@H+](CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C1CCCC1 ZINC000277819814 935978316 /nfs/dbraw/zinc/97/83/16/935978316.db2.gz YERAESHOURFTRL-UHFFFAOYSA-N 1 0 363.461 3.698 20 5 FHBDRO COc1cc(C[NH2+][C@@H]2CCC(F)(F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611520762 935978980 /nfs/dbraw/zinc/97/89/80/935978980.db2.gz UEZQTRYLBNEMPB-SNVBAGLBSA-N 1 0 366.311 3.525 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000277877008 936076531 /nfs/dbraw/zinc/07/65/31/936076531.db2.gz KQWGGBANCWTESM-CQSZACIVSA-N 1 0 367.858 3.651 20 5 FHBDRO CC[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000472262299 936140941 /nfs/dbraw/zinc/14/09/41/936140941.db2.gz URDGWTCBDNHDDW-DNVCBOLYSA-N 1 0 367.449 3.709 20 5 FHBDRO CCN(CCC[NH+](C)C)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277910273 936146712 /nfs/dbraw/zinc/14/67/12/936146712.db2.gz ASXBPIZUTGXVLF-UHFFFAOYSA-N 1 0 351.450 3.507 20 5 FHBDRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000178684159 936204830 /nfs/dbraw/zinc/20/48/30/936204830.db2.gz CBAUGNAISSROPA-RYUDHWBXSA-N 1 0 362.817 3.711 20 5 FHBDRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000178684194 936205120 /nfs/dbraw/zinc/20/51/20/936205120.db2.gz CBAUGNAISSROPA-VXGBXAGGSA-N 1 0 362.817 3.711 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000178691607 936208746 /nfs/dbraw/zinc/20/87/46/936208746.db2.gz CFHALJNWSZTMMQ-VXGBXAGGSA-N 1 0 363.364 3.859 20 5 FHBDRO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178688551 936210383 /nfs/dbraw/zinc/21/03/83/936210383.db2.gz WDFCCNBAHCZIPT-CABCVRRESA-N 1 0 371.437 3.980 20 5 FHBDRO CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178688504 936210532 /nfs/dbraw/zinc/21/05/32/936210532.db2.gz WDFCCNBAHCZIPT-LSDHHAIUSA-N 1 0 371.437 3.980 20 5 FHBDRO COc1ccc2c(C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc(=O)oc2c1 ZINC000178691344 936232524 /nfs/dbraw/zinc/23/25/24/936232524.db2.gz SULBQYMLDSZJEP-ZDUSSCGKSA-N 1 0 368.389 3.869 20 5 FHBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC(C[NH+]4CCCCCC4)CC3)c21 ZINC000612438328 936243119 /nfs/dbraw/zinc/24/31/19/936243119.db2.gz OAVOAABYLQKUII-UHFFFAOYSA-N 1 0 369.469 3.630 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+]CC2CCN(C(=O)C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000161603506 936273489 /nfs/dbraw/zinc/27/34/89/936273489.db2.gz SMSBBMPAYSUQCQ-HNNXBMFYSA-N 1 0 361.486 3.839 20 5 FHBDRO Cc1c(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000472286944 938260847 /nfs/dbraw/zinc/26/08/47/938260847.db2.gz YACOYZGYFCXZEW-IBGZPJMESA-N 1 0 367.449 3.688 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000091698868 938280493 /nfs/dbraw/zinc/28/04/93/938280493.db2.gz JCAHPHFXNRLDGN-UHFFFAOYSA-N 1 0 373.428 3.651 20 5 FHBDRO CC(C)[N@H+](Cc1ccco1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506418791 945162572 /nfs/dbraw/zinc/16/25/72/945162572.db2.gz ZSXIZTGKRZSWIR-UHFFFAOYSA-N 1 0 354.410 3.999 20 5 FHBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000110930738 945167456 /nfs/dbraw/zinc/16/74/56/945167456.db2.gz SBAFNYPMRNYOTB-UHFFFAOYSA-N 1 0 362.433 3.774 20 5 FHBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000519145594 945169798 /nfs/dbraw/zinc/16/97/98/945169798.db2.gz WNCOQIDVAKZEKT-UHFFFAOYSA-N 1 0 372.425 3.959 20 5 FHBDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000543853326 938386238 /nfs/dbraw/zinc/38/62/38/938386238.db2.gz NIMMXZSJMJTOJO-HIFRSBDPSA-N 1 0 367.877 3.765 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cn1 ZINC000052610581 938435222 /nfs/dbraw/zinc/43/52/22/938435222.db2.gz YVXZKBOCOXAYDP-UHFFFAOYSA-N 1 0 372.428 3.882 20 5 FHBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437261120 945176407 /nfs/dbraw/zinc/17/64/07/945176407.db2.gz GALZNQZLOXGBMN-CQSZACIVSA-N 1 0 373.375 3.560 20 5 FHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000511810471 945180338 /nfs/dbraw/zinc/18/03/38/945180338.db2.gz XIVIEDWAQCJKPC-INIZCTEOSA-N 1 0 373.478 3.687 20 5 FHBDRO COC(=O)C(C)(C)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000611797099 938518665 /nfs/dbraw/zinc/51/86/65/938518665.db2.gz KBBHKUADEREBEY-CYBMUJFWSA-N 1 0 354.834 3.659 20 5 FHBDRO Cc1cccc(N2CCC([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000128153928 938525660 /nfs/dbraw/zinc/52/56/60/938525660.db2.gz UHIUUIHUAITGST-INIZCTEOSA-N 1 0 354.454 3.926 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000052907687 938654663 /nfs/dbraw/zinc/65/46/63/938654663.db2.gz YLUYITNUYBCEPZ-HNNXBMFYSA-N 1 0 371.437 3.933 20 5 FHBDRO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000289874874 938865454 /nfs/dbraw/zinc/86/54/54/938865454.db2.gz WSTGNQXYEREUDD-APWZRJJASA-N 1 0 367.449 3.544 20 5 FHBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000289875020 938866164 /nfs/dbraw/zinc/86/61/64/938866164.db2.gz ZHJZAOTYTRRAIN-CYBMUJFWSA-N 1 0 366.849 3.588 20 5 FHBDRO Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000480422164 938912725 /nfs/dbraw/zinc/91/27/25/938912725.db2.gz WOZUBPNACRTSRY-UWJYYQICSA-N 1 0 369.465 3.627 20 5 FHBDRO Cc1cc(NC2CC[NH+](C(C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000140876471 938942351 /nfs/dbraw/zinc/94/23/51/938942351.db2.gz JLZOSCXQNKDAMC-UHFFFAOYSA-N 1 0 355.442 3.645 20 5 FHBDRO Cn1ccnc1[C@H](NCCc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000573273549 938963403 /nfs/dbraw/zinc/96/34/03/938963403.db2.gz MQYAWMFQQIFACC-GOSISDBHSA-N 1 0 372.375 3.528 20 5 FHBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1cccs1 ZINC000179177782 938983258 /nfs/dbraw/zinc/98/32/58/938983258.db2.gz ZJWNCIGPDMOLFR-UHFFFAOYSA-N 1 0 363.439 3.516 20 5 FHBDRO Cc1cc(N[C@H]2CCOC3(CCSCC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000542123845 938997169 /nfs/dbraw/zinc/99/71/69/938997169.db2.gz YWHUEISCDBLIBB-AWEZNQCLSA-N 1 0 373.478 3.730 20 5 FHBDRO O=[N+]([O-])c1ncccc1N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000612101928 939050716 /nfs/dbraw/zinc/05/07/16/939050716.db2.gz YRCYXRUGRZHCDR-OKZBNKHCSA-N 1 0 352.438 3.702 20 5 FHBDRO COc1ccc(C[C@@H](C)C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1F ZINC000545597306 945224774 /nfs/dbraw/zinc/22/47/74/945224774.db2.gz MAZPKTYHRVGHEL-CYBMUJFWSA-N 1 0 362.401 3.720 20 5 FHBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000516772018 945227782 /nfs/dbraw/zinc/22/77/82/945227782.db2.gz NTZXGYIGEPBYCZ-UHFFFAOYSA-N 1 0 361.829 3.630 20 5 FHBDRO COC[C@H](C)[N@H+](C)Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000179373208 939126697 /nfs/dbraw/zinc/12/66/97/939126697.db2.gz LNQFQKIPFYVNBL-HNNXBMFYSA-N 1 0 374.437 3.649 20 5 FHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000179384710 939139258 /nfs/dbraw/zinc/13/92/58/939139258.db2.gz VZVRNOLNYNRCCZ-UHFFFAOYSA-N 1 0 365.499 3.557 20 5 FHBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000179509813 939222304 /nfs/dbraw/zinc/22/23/04/939222304.db2.gz FBMKZGRWUFKJMF-LBPRGKRZSA-N 1 0 361.833 3.623 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC[C@@H]1COc2ccccc2O1)C1CC1 ZINC000516776115 945245010 /nfs/dbraw/zinc/24/50/10/945245010.db2.gz RABRRKQMUYVCJD-QZTJIDSGSA-N 1 0 368.433 3.736 20 5 FHBDRO CSc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000507475189 945259423 /nfs/dbraw/zinc/25/94/23/945259423.db2.gz ZPEOBTOZUYDKOP-CHWSQXEVSA-N 1 0 359.451 3.995 20 5 FHBDRO O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000511845871 945266500 /nfs/dbraw/zinc/26/65/00/945266500.db2.gz XUFOPIZIRRQYCI-LMMKCTJWSA-N 1 0 365.433 3.801 20 5 FHBDRO CN(CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000518272688 945278456 /nfs/dbraw/zinc/27/84/56/945278456.db2.gz FBXPRBGBRPYJAM-UHFFFAOYSA-N 1 0 365.380 3.812 20 5 FHBDRO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)n1 ZINC000179714288 939925586 /nfs/dbraw/zinc/92/55/86/939925586.db2.gz OAEQCLGVDWYSSI-OAHLLOKOSA-N 1 0 368.393 3.926 20 5 FHBDRO CCOc1ccccc1[C@@H](CC)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000179742359 939928046 /nfs/dbraw/zinc/92/80/46/939928046.db2.gz GEKHLNNAXMMUCF-QGZVFWFLSA-N 1 0 371.437 3.981 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000364436564 939940887 /nfs/dbraw/zinc/94/08/87/939940887.db2.gz YZXZWNYUCKDZCC-VBKZILBWSA-N 1 0 351.406 3.560 20 5 FHBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451964113 939954025 /nfs/dbraw/zinc/95/40/25/939954025.db2.gz IRGRZEIKBFHTIW-SCLBCKFNSA-N 1 0 374.466 3.925 20 5 FHBDRO C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc(C[NH3+])cc3)cc2[N+](=O)[O-])C1 ZINC000427332458 945290747 /nfs/dbraw/zinc/29/07/47/945290747.db2.gz VBWPWKOFOVMVQL-AWEZNQCLSA-N 1 0 368.437 3.542 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)c1cccs1 ZINC000411169699 940010312 /nfs/dbraw/zinc/01/03/12/940010312.db2.gz DTFGDJPHZBEJMT-LBPRGKRZSA-N 1 0 363.439 3.687 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C)(C)c1cccc(C)c1 ZINC000411468501 940051027 /nfs/dbraw/zinc/05/10/27/940051027.db2.gz HTIRKSFSBQHRLL-UHFFFAOYSA-N 1 0 371.437 3.765 20 5 FHBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000136603789 940054134 /nfs/dbraw/zinc/05/41/34/940054134.db2.gz IPJZDEVAPSYHAW-BETUJISGSA-N 1 0 367.877 3.735 20 5 FHBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccc(C(F)(F)F)c1 ZINC000472434624 940097507 /nfs/dbraw/zinc/09/75/07/940097507.db2.gz WFRAHDVXCOGPLK-UHFFFAOYSA-N 1 0 356.348 3.721 20 5 FHBDRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411767548 940110272 /nfs/dbraw/zinc/11/02/72/940110272.db2.gz FWHQRRPQHKLVKZ-XQQFMLRXSA-N 1 0 373.375 3.975 20 5 FHBDRO COc1ccc(C[N@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccccc2)cc1 ZINC000472437170 940118215 /nfs/dbraw/zinc/11/82/15/940118215.db2.gz BFAAHHGZZIHSID-UHFFFAOYSA-N 1 0 366.421 3.502 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000612580291 940160181 /nfs/dbraw/zinc/16/01/81/940160181.db2.gz NBHXJPUTLOMHON-SJORKVTESA-N 1 0 368.355 3.527 20 5 FHBDRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)CC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000179955197 940169076 /nfs/dbraw/zinc/16/90/76/940169076.db2.gz UWFHWTFXYXQHEJ-SFHVURJKSA-N 1 0 362.451 3.629 20 5 FHBDRO COc1c(O)ccc(C[NH2+]Cc2ccccc2COC(C)C)c1[N+](=O)[O-] ZINC000892506193 940171240 /nfs/dbraw/zinc/17/12/40/940171240.db2.gz XGRWHZDUFLNZSL-UHFFFAOYSA-N 1 0 360.410 3.524 20 5 FHBDRO Cc1cc(N2CCC([NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)nc(C)n1 ZINC000162268777 940263673 /nfs/dbraw/zinc/26/36/73/940263673.db2.gz UAWBNPODWPXTNL-OAHLLOKOSA-N 1 0 369.469 3.630 20 5 FHBDRO Cc1nn(C)c(C)c1CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180045483 940320771 /nfs/dbraw/zinc/32/07/71/940320771.db2.gz YSPNRVDOYSWKLY-OAQYLSRUSA-N 1 0 364.449 3.867 20 5 FHBDRO C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Oc1cccc(F)c1 ZINC000124597266 945311564 /nfs/dbraw/zinc/31/15/64/945311564.db2.gz IBBOEUNAEDSDDQ-HNNXBMFYSA-N 1 0 373.428 3.760 20 5 FHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000188609139 940393266 /nfs/dbraw/zinc/39/32/66/940393266.db2.gz GDIPVEVVMWIJMG-KMFMINBZSA-N 1 0 374.403 3.989 20 5 FHBDRO CCOc1cccc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000613045316 940415985 /nfs/dbraw/zinc/41/59/85/940415985.db2.gz SLKXHKVARMNSLX-QGZVFWFLSA-N 1 0 355.438 3.704 20 5 FHBDRO O=[N+]([O-])c1cccc([C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)c1 ZINC000180095161 940468273 /nfs/dbraw/zinc/46/82/73/940468273.db2.gz QWLJLZDONMSOLU-HRAATJIYSA-N 1 0 351.450 3.758 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]CCOCC3CCC3)o2)c([N+](=O)[O-])c1 ZINC000613175390 940476397 /nfs/dbraw/zinc/47/63/97/940476397.db2.gz UCDLPZWBYZJCPL-UHFFFAOYSA-N 1 0 360.410 3.770 20 5 FHBDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1C ZINC000580493565 940476932 /nfs/dbraw/zinc/47/69/32/940476932.db2.gz MLRXRWHKYJPITH-YSVLISHTSA-N 1 0 373.453 3.576 20 5 FHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000580798235 940487577 /nfs/dbraw/zinc/48/75/77/940487577.db2.gz YSKDRWWMIIMHJG-FOIQADDNSA-N 1 0 358.413 3.722 20 5 FHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(NC(=O)c2cccs2)CC1 ZINC000066471316 940498312 /nfs/dbraw/zinc/49/83/12/940498312.db2.gz BDRARYJUICXLNQ-CYBMUJFWSA-N 1 0 359.451 3.612 20 5 FHBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000582545431 940707740 /nfs/dbraw/zinc/70/77/40/940707740.db2.gz HSPUBDAWBWPZII-AWEZNQCLSA-N 1 0 371.462 3.570 20 5 FHBDRO C[NH+]1CCC(N(C/C=C\c2ccccc2[N+](=O)[O-])Cc2ccco2)CC1 ZINC000582573981 940737821 /nfs/dbraw/zinc/73/78/21/940737821.db2.gz XXFUMTNDKWBEEA-DAXSKMNVSA-N 1 0 355.438 3.797 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2Cc3cccc(OC)c3C2)cc1[N+](=O)[O-] ZINC000414200177 940752334 /nfs/dbraw/zinc/75/23/34/940752334.db2.gz XISSTMLTSKYHQH-XJKSGUPXSA-N 1 0 356.422 3.820 20 5 FHBDRO CC(C)(C)c1ccncc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000414222376 940793614 /nfs/dbraw/zinc/79/36/14/940793614.db2.gz FHFGTHGUPUDGAE-DLBZAZTESA-N 1 0 357.458 3.757 20 5 FHBDRO CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000414260699 940854422 /nfs/dbraw/zinc/85/44/22/940854422.db2.gz IQZGVBFSNHHUEH-RYUDHWBXSA-N 1 0 361.364 3.880 20 5 FHBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000452033440 940874916 /nfs/dbraw/zinc/87/49/16/940874916.db2.gz GEHRXULYEMWPFB-IUIKQTSFSA-N 1 0 369.849 3.513 20 5 FHBDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180251580 940876428 /nfs/dbraw/zinc/87/64/28/940876428.db2.gz ZBTRWSLCEILTBM-YWZLYKJASA-N 1 0 355.438 3.579 20 5 FHBDRO CCC[C@@H]([NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000310823819 940905197 /nfs/dbraw/zinc/90/51/97/940905197.db2.gz HIZXXMBNRZYBDD-CZUORRHYSA-N 1 0 351.447 3.939 20 5 FHBDRO C[C@]12C[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000452048429 940953003 /nfs/dbraw/zinc/95/30/03/940953003.db2.gz PZMMPRKBFTVMGK-PGSNGQOISA-N 1 0 354.410 3.513 20 5 FHBDRO CN(C)C(=O)CC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000180334855 940977590 /nfs/dbraw/zinc/97/75/90/940977590.db2.gz PHORGXIFORSFGF-UHFFFAOYSA-N 1 0 371.437 3.545 20 5 FHBDRO C[C@@H]([NH2+]CC(=O)N(C)[C@@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000180420405 941009854 /nfs/dbraw/zinc/00/98/54/941009854.db2.gz CLKLMPCIVQKJIA-FOIQADDNSA-N 1 0 367.449 3.781 20 5 FHBDRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180420948 941010303 /nfs/dbraw/zinc/01/03/03/941010303.db2.gz UWFCCUGFFCQEDY-LLVKDONJSA-N 1 0 363.801 3.546 20 5 FHBDRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000180427674 941012846 /nfs/dbraw/zinc/01/28/46/941012846.db2.gz BTXYYZKKDBBFIZ-CHWSQXEVSA-N 1 0 361.829 3.776 20 5 FHBDRO C[C@@H]([NH2+]CC(=O)N1c2ccccc2CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180442136 941014983 /nfs/dbraw/zinc/01/49/83/941014983.db2.gz JVABHUOSSPSJCX-HUUCEWRRSA-N 1 0 353.422 3.613 20 5 FHBDRO C[C@H]([NH2+]CC(=O)N1c2ccccc2CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180442103 941015028 /nfs/dbraw/zinc/01/50/28/941015028.db2.gz JVABHUOSSPSJCX-CABCVRRESA-N 1 0 353.422 3.613 20 5 FHBDRO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180443129 941015208 /nfs/dbraw/zinc/01/52/08/941015208.db2.gz CMPCSHVEDCATSQ-GUYCJALGSA-N 1 0 373.478 3.843 20 5 FHBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)c2ccccc2)c1 ZINC000180471422 941019288 /nfs/dbraw/zinc/01/92/88/941019288.db2.gz XLBRUAXEBFACSV-VXKWHMMOSA-N 1 0 362.429 3.877 20 5 FHBDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000511507693 941033672 /nfs/dbraw/zinc/03/36/72/941033672.db2.gz QXOIJGQPDCJCQZ-OWUNDVQQSA-N 1 0 359.470 3.625 20 5 FHBDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000176579850 941062256 /nfs/dbraw/zinc/06/22/56/941062256.db2.gz NTNPXKOKJFSYJF-VQIMIIECSA-N 1 0 367.449 3.686 20 5 FHBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@H]2CCC(C)C)c([N+](=O)[O-])c1 ZINC000472609323 941091144 /nfs/dbraw/zinc/09/11/44/941091144.db2.gz LOTLDCXXYDRHRH-GOEBONIOSA-N 1 0 363.458 3.736 20 5 FHBDRO CC[NH+]1CCN(c2cccc(NC/C=C/c3ccccc3[N+](=O)[O-])c2)CC1 ZINC000472617210 941122313 /nfs/dbraw/zinc/12/23/13/941122313.db2.gz HSPYICNKBHZLSL-SOFGYWHQSA-N 1 0 366.465 3.862 20 5 FHBDRO CCOc1cc(C)ccc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000472622704 941148623 /nfs/dbraw/zinc/14/86/23/941148623.db2.gz LWDCYVQFEUFXQL-IRXDYDNUSA-N 1 0 358.442 3.772 20 5 FHBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1(c2ccccc2)CC1 ZINC000189320403 941156098 /nfs/dbraw/zinc/15/60/98/941156098.db2.gz VYHWOSBCHGJRBL-UHFFFAOYSA-N 1 0 353.422 3.587 20 5 FHBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000189510571 941159416 /nfs/dbraw/zinc/15/94/16/941159416.db2.gz LASRKPNNZTZCEO-DUVNUKRYSA-N 1 0 351.472 3.576 20 5 FHBDRO CC[C@@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000311310771 941224363 /nfs/dbraw/zinc/22/43/63/941224363.db2.gz VBSOCJBLSFLYLU-SJORKVTESA-N 1 0 363.458 3.939 20 5 FHBDRO Cc1ccc(C[NH2+][C@H](CNC(=O)OC(C)(C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000311301088 941226555 /nfs/dbraw/zinc/22/65/55/941226555.db2.gz HVUWOABGZYUWGE-INIZCTEOSA-N 1 0 365.474 3.932 20 5 FHBDRO Cc1c(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000311314905 941233644 /nfs/dbraw/zinc/23/36/44/941233644.db2.gz CEKAQEKKWFFHPB-INIZCTEOSA-N 1 0 363.458 3.782 20 5 FHBDRO CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311495635 941314847 /nfs/dbraw/zinc/31/48/47/941314847.db2.gz VQJTXPATTIQGEI-MRXNPFEDSA-N 1 0 373.840 3.595 20 5 FHBDRO COc1cc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000311543026 941323114 /nfs/dbraw/zinc/32/31/14/941323114.db2.gz UIFXNHFOJVJIGN-KRWDZBQOSA-N 1 0 355.438 3.928 20 5 FHBDRO CCc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000181480963 941330669 /nfs/dbraw/zinc/33/06/69/941330669.db2.gz GWUZLWIVVRXCMB-YOEHRIQHSA-N 1 0 359.470 3.540 20 5 FHBDRO C[N@@H+]1C[C@H]2CCN(Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590052835 941385801 /nfs/dbraw/zinc/38/58/01/941385801.db2.gz NMYOLGQRLBQDIB-DNVCBOLYSA-N 1 0 371.412 3.662 20 5 FHBDRO CN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311896325 941416186 /nfs/dbraw/zinc/41/61/86/941416186.db2.gz BMVCHQKPCSVJIL-OAHLLOKOSA-N 1 0 373.840 3.595 20 5 FHBDRO CCC[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000181524031 941425089 /nfs/dbraw/zinc/42/50/89/941425089.db2.gz VDTNVFOIFMKMNX-GJZGRUSLSA-N 1 0 373.375 3.579 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H]4CC[C@@H](C3)[NH2+]4)o2)c(Cl)c1 ZINC000414655228 941432858 /nfs/dbraw/zinc/43/28/58/941432858.db2.gz GUJCICYQESGNEK-OLZOCXBDSA-N 1 0 361.829 3.835 20 5 FHBDRO C[C@@H]([NH3+])c1ccc(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000414811257 941472554 /nfs/dbraw/zinc/47/25/54/941472554.db2.gz PNNJOQBPEMLULE-LLVKDONJSA-N 1 0 351.353 3.506 20 5 FHBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)c1ccccc1 ZINC000181541507 941546955 /nfs/dbraw/zinc/54/69/55/941546955.db2.gz BVVOBLNNMWFPRZ-OLZOCXBDSA-N 1 0 361.829 3.969 20 5 FHBDRO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549172641 941584135 /nfs/dbraw/zinc/58/41/35/941584135.db2.gz NFTZJDWBOGROOH-HXUWFJFHSA-N 1 0 369.465 3.679 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](n4cncn4)C3)o2)c(Cl)c1 ZINC000377282150 941617442 /nfs/dbraw/zinc/61/74/42/941617442.db2.gz BKOJRVKPPKVWLU-ZDUSSCGKSA-N 1 0 373.800 3.547 20 5 FHBDRO C[C@@H]1[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000311929194 941659250 /nfs/dbraw/zinc/65/92/50/941659250.db2.gz FYFDVNYPJJGVNA-CXAGYDPISA-N 1 0 373.840 3.641 20 5 FHBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415192840 941662020 /nfs/dbraw/zinc/66/20/20/941662020.db2.gz LGWOJPGYHMFPEK-SCLBCKFNSA-N 1 0 370.409 3.507 20 5 FHBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000415192781 941662115 /nfs/dbraw/zinc/66/21/15/941662115.db2.gz KVNPFKZDZYRCCQ-UKRRQHHQSA-N 1 0 370.409 3.636 20 5 FHBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000415190689 941665038 /nfs/dbraw/zinc/66/50/38/941665038.db2.gz IPXONKVMSJFKEC-KGLIPLIRSA-N 1 0 370.409 3.588 20 5 FHBDRO C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC[C@@H]1[NH3+] ZINC000415197777 941668849 /nfs/dbraw/zinc/66/88/49/941668849.db2.gz TZASITUTIYFQIO-ACJLOTCBSA-N 1 0 370.409 3.588 20 5 FHBDRO Cc1c(NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000472767653 941721616 /nfs/dbraw/zinc/72/16/16/941721616.db2.gz WFMNVWKMQFDILM-OAHLLOKOSA-N 1 0 370.453 3.935 20 5 FHBDRO O=C(NCCCCCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000729342028 941722361 /nfs/dbraw/zinc/72/23/61/941722361.db2.gz USUGHVHJJJABRN-UHFFFAOYSA-N 1 0 351.422 3.510 20 5 FHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000182334986 941736102 /nfs/dbraw/zinc/73/61/02/941736102.db2.gz PHBBNJVBYXOZDL-KBPBESRZSA-N 1 0 357.410 3.590 20 5 FHBDRO CC[C@H](Cc1ccccc1)[N@H+](CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000120679275 941764517 /nfs/dbraw/zinc/76/45/17/941764517.db2.gz LCBITXOUYRDZHO-GOSISDBHSA-N 1 0 355.438 3.537 20 5 FHBDRO C[C@H]1C[C@H](c2ccccc2)[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000513227390 941798896 /nfs/dbraw/zinc/79/88/96/941798896.db2.gz BYBSRTRTCGJIOF-HNAYVOBHSA-N 1 0 353.422 3.641 20 5 FHBDRO COc1ccccc1O[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000513371485 941880760 /nfs/dbraw/zinc/88/07/60/941880760.db2.gz OOQOOBYZIHHEOW-KRWDZBQOSA-N 1 0 356.422 3.955 20 5 FHBDRO COc1ccc(-c2ccc(CN(C)[C@H]3CC[N@@H+](C4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000513441781 941928044 /nfs/dbraw/zinc/92/80/44/941928044.db2.gz AYUDLBLDQRXHBX-HNNXBMFYSA-N 1 0 371.437 3.532 20 5 FHBDRO CC[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000182596603 941946286 /nfs/dbraw/zinc/94/62/86/941946286.db2.gz XMWBXEQJIHPEQS-KRWDZBQOSA-N 1 0 361.829 3.952 20 5 FHBDRO Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000517537988 941947731 /nfs/dbraw/zinc/94/77/31/941947731.db2.gz ATWBMEIGPSEVKZ-INIZCTEOSA-N 1 0 364.405 3.600 20 5 FHBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000517537989 941947821 /nfs/dbraw/zinc/94/78/21/941947821.db2.gz ATWBMEIGPSEVKZ-MRXNPFEDSA-N 1 0 364.405 3.600 20 5 FHBDRO COc1cc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OC ZINC000513472450 941951529 /nfs/dbraw/zinc/95/15/29/941951529.db2.gz FMSBPYDSPWHRTK-AWEZNQCLSA-N 1 0 360.385 3.741 20 5 FHBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2ccccc2o1 ZINC000182640441 941957204 /nfs/dbraw/zinc/95/72/04/941957204.db2.gz QCMJITRHRYXIFL-CXAGYDPISA-N 1 0 365.389 3.797 20 5 FHBDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000377870965 942044115 /nfs/dbraw/zinc/04/41/15/942044115.db2.gz XIAIKEUZPCGMDH-GFCCVEGCSA-N 1 0 366.849 3.729 20 5 FHBDRO COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(C)C)cc1 ZINC000102693180 942083678 /nfs/dbraw/zinc/08/36/78/942083678.db2.gz XDAWSTRJZGXSMH-FQEVSTJZSA-N 1 0 371.437 3.837 20 5 FHBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])c1 ZINC000501952866 942130868 /nfs/dbraw/zinc/13/08/68/942130868.db2.gz AODJDGIIHOHWEQ-UHFFFAOYSA-N 1 0 373.478 3.698 20 5 FHBDRO CC[NH2+]Cc1cccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000415939095 942169926 /nfs/dbraw/zinc/16/99/26/942169926.db2.gz YSAGALHMJAMFMW-UHFFFAOYSA-N 1 0 356.426 3.761 20 5 FHBDRO CCc1cccc2c(CC[NH2+]Cc3ccc(OC)c([N+](=O)[O-])c3)c[nH]c21 ZINC000237007440 942235791 /nfs/dbraw/zinc/23/57/91/942235791.db2.gz FDKBGAXAELULBI-UHFFFAOYSA-N 1 0 353.422 3.979 20 5 FHBDRO Cc1ccc(NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1[N+](=O)[O-] ZINC000103231879 942237406 /nfs/dbraw/zinc/23/74/06/942237406.db2.gz HBROIFQJYXMHMS-KRWDZBQOSA-N 1 0 374.485 3.879 20 5 FHBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000137028543 942246796 /nfs/dbraw/zinc/24/67/96/942246796.db2.gz NOMOTRFPWPOBSN-ZDUSSCGKSA-N 1 0 367.877 3.879 20 5 FHBDRO O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000416017754 942266464 /nfs/dbraw/zinc/26/64/64/942266464.db2.gz VTEUODXFCVDUQI-MRXNPFEDSA-N 1 0 366.421 3.610 20 5 FHBDRO CC[C@@H]1CN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](CC)O1 ZINC000420945808 942269703 /nfs/dbraw/zinc/26/97/03/942269703.db2.gz BGKVEKFHFNBFKU-APHBMKBZSA-N 1 0 360.414 3.595 20 5 FHBDRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000502216918 942295702 /nfs/dbraw/zinc/29/57/02/942295702.db2.gz OMNUDEWAYCIRIJ-UHFFFAOYSA-N 1 0 369.343 3.956 20 5 FHBDRO COc1ccc(OCC[NH2+][C@@H](CC(F)F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000420999512 942296857 /nfs/dbraw/zinc/29/68/57/942296857.db2.gz VGYZNWSJODKBSZ-HNNXBMFYSA-N 1 0 366.364 3.968 20 5 FHBDRO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000366759341 942328109 /nfs/dbraw/zinc/32/81/09/942328109.db2.gz SMVIAHYJBJQMJX-SFHVURJKSA-N 1 0 367.449 3.722 20 5 FHBDRO C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)[C@@H]1c1cccs1 ZINC000413157589 942353238 /nfs/dbraw/zinc/35/32/38/942353238.db2.gz IAIATGJJXBPDMH-XHDPSFHLSA-N 1 0 350.419 3.685 20 5 FHBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000501209743 942353351 /nfs/dbraw/zinc/35/33/51/942353351.db2.gz PHFLYNZZYCFQDM-LBPRGKRZSA-N 1 0 373.375 3.608 20 5 FHBDRO COCCOc1cccc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000468651334 942434426 /nfs/dbraw/zinc/43/44/26/942434426.db2.gz YIXPTWQGRGHZPG-WJDWOHSUSA-N 1 0 356.422 3.813 20 5 FHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[NH2+]C1CCCCC1 ZINC000419915028 942442771 /nfs/dbraw/zinc/44/27/71/942442771.db2.gz BYBJSTIDPDTUEY-KRWDZBQOSA-N 1 0 361.486 3.592 20 5 FHBDRO Cc1nn(C)c(NC[C@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000513745089 942451437 /nfs/dbraw/zinc/45/14/37/942451437.db2.gz UOHCQLUYPZDSAY-PBHICJAKSA-N 1 0 359.474 3.814 20 5 FHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c(C(F)(F)F)c1 ZINC000378248612 942455525 /nfs/dbraw/zinc/45/55/25/942455525.db2.gz NNYLFOURLXIGMY-LBPRGKRZSA-N 1 0 354.332 3.716 20 5 FHBDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000421362925 942515967 /nfs/dbraw/zinc/51/59/67/942515967.db2.gz OJDUGCIMDHAVNZ-OLZOCXBDSA-N 1 0 364.829 3.959 20 5 FHBDRO CSc1ccccc1[C@@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000501548033 942531585 /nfs/dbraw/zinc/53/15/85/942531585.db2.gz XJBZAIVKUCESTJ-CYBMUJFWSA-N 1 0 371.462 3.557 20 5 FHBDRO Cc1nc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)ccc1[N+](=O)[O-] ZINC000366531042 942539224 /nfs/dbraw/zinc/53/92/24/942539224.db2.gz HOAYIMFHLZCLGC-UHFFFAOYSA-N 1 0 358.364 3.515 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@@H](CCO)CC3)cs2)c1 ZINC000421398214 942549500 /nfs/dbraw/zinc/54/95/00/942549500.db2.gz NTSBPJCADJDPMV-CQSZACIVSA-N 1 0 361.467 3.703 20 5 FHBDRO C[NH+](C)C(C)(C)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237079821 942554850 /nfs/dbraw/zinc/55/48/50/942554850.db2.gz MSJHLLKIWNRGDO-UHFFFAOYSA-N 1 0 351.834 3.938 20 5 FHBDRO COc1cccc([C@@H]2[C@H](Nc3ncc([N+](=O)[O-])cc3F)CC[N@@H+]2C2CC2)c1 ZINC000413246424 942560805 /nfs/dbraw/zinc/56/08/05/942560805.db2.gz ZNDRTHQCHVRMNN-QZTJIDSGSA-N 1 0 372.400 3.527 20 5 FHBDRO Cc1cc(N2CCC([NH2+]CC3CC3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420196070 942569941 /nfs/dbraw/zinc/56/99/41/942569941.db2.gz HZQYRZOIPYFYKA-UHFFFAOYSA-N 1 0 357.376 3.890 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000893208128 942609032 /nfs/dbraw/zinc/60/90/32/942609032.db2.gz FRYAUDOFALLSJK-AWEZNQCLSA-N 1 0 356.875 3.783 20 5 FHBDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001167945718 942617353 /nfs/dbraw/zinc/61/73/53/942617353.db2.gz VAXDTFDJTANCQE-KRWDZBQOSA-N 1 0 373.453 3.999 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425073581 942625291 /nfs/dbraw/zinc/62/52/91/942625291.db2.gz AXNGRQKCIVZCSG-UHFFFAOYSA-N 1 0 374.466 3.769 20 5 FHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000378408786 942726158 /nfs/dbraw/zinc/72/61/58/942726158.db2.gz AMCJTJXUDHCMIM-VQIMIIECSA-N 1 0 371.481 3.770 20 5 FHBDRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000514188266 942815390 /nfs/dbraw/zinc/81/53/90/942815390.db2.gz CIOTURJYIMJPIV-KRWDZBQOSA-N 1 0 353.422 3.549 20 5 FHBDRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000514234847 942845844 /nfs/dbraw/zinc/84/58/44/942845844.db2.gz SZSPHYXJBYYSOJ-KRWDZBQOSA-N 1 0 361.442 3.587 20 5 FHBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCSc3ccc(F)cc3)CC2)c1 ZINC000510013410 942927864 /nfs/dbraw/zinc/92/78/64/942927864.db2.gz SEBJTWNQGOEODP-UHFFFAOYSA-N 1 0 361.442 3.648 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000236850616 943118018 /nfs/dbraw/zinc/11/80/18/943118018.db2.gz BYTWVOAMAFWRLZ-SFHVURJKSA-N 1 0 373.453 3.903 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000435061540 943136562 /nfs/dbraw/zinc/13/65/62/943136562.db2.gz QDOOUZOXKVPQOP-UHFFFAOYSA-N 1 0 354.454 3.816 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503405638 943165737 /nfs/dbraw/zinc/16/57/37/943165737.db2.gz KCICCFXNCYESOC-INIZCTEOSA-N 1 0 370.453 3.516 20 5 FHBDRO COc1cccc([C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)N(C)C)c1 ZINC000133684227 943183140 /nfs/dbraw/zinc/18/31/40/943183140.db2.gz LYSSZAHYMMXHIY-MGPUTAFESA-N 1 0 357.454 3.865 20 5 FHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnc(CC(F)(F)F)s1 ZINC000894273701 943201083 /nfs/dbraw/zinc/20/10/83/943201083.db2.gz SSSPIIHTBDZTDS-UHFFFAOYSA-N 1 0 359.373 3.831 20 5 FHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000422835086 943300294 /nfs/dbraw/zinc/30/02/94/943300294.db2.gz IEQGNEGQLAYDBZ-UHFFFAOYSA-N 1 0 357.435 3.605 20 5 FHBDRO C[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000423016869 943365744 /nfs/dbraw/zinc/36/57/44/943365744.db2.gz NMECIBXSDWMTBJ-VHFSOBRXSA-N 1 0 353.422 3.501 20 5 FHBDRO C[NH2+]C[C@@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000435386870 943375181 /nfs/dbraw/zinc/37/51/81/943375181.db2.gz VULBTIOGAZZYQH-HNNXBMFYSA-N 1 0 359.401 3.568 20 5 FHBDRO C[NH+]1CCC(CCNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000503990122 943445117 /nfs/dbraw/zinc/44/51/17/943445117.db2.gz XSSIEBNNTCGKOM-UHFFFAOYSA-N 1 0 367.449 3.970 20 5 FHBDRO Cc1ccc([C@H](C)NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423277805 943469753 /nfs/dbraw/zinc/46/97/53/943469753.db2.gz OYEKFXKHKBZZHE-KBXCAEBGSA-N 1 0 355.438 3.807 20 5 FHBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000423337699 943483441 /nfs/dbraw/zinc/48/34/41/943483441.db2.gz RIWCJSACRXWAAR-YSSFQJQWSA-N 1 0 369.465 3.708 20 5 FHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000423351627 943487232 /nfs/dbraw/zinc/48/72/32/943487232.db2.gz IPVJGKHQUVGNOI-DJJJIMSYSA-N 1 0 368.437 3.561 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OCCO)cc1)CCCC2 ZINC000417304179 943496402 /nfs/dbraw/zinc/49/64/02/943496402.db2.gz BRHGRQLTTZOMMY-HXUWFJFHSA-N 1 0 356.422 3.523 20 5 FHBDRO C[C@H](N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000423375644 943503878 /nfs/dbraw/zinc/50/38/78/943503878.db2.gz UNODGWHBYCSROQ-MOFZMDFASA-N 1 0 361.392 3.669 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(c3ccccn3)C1)CCCC2 ZINC000417314623 943509777 /nfs/dbraw/zinc/50/97/77/943509777.db2.gz ZHJYCLLEGGTGQY-LPHOPBHVSA-N 1 0 352.438 3.626 20 5 FHBDRO Cn1nccc1[C@@H]1C[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000417325458 943516794 /nfs/dbraw/zinc/51/67/94/943516794.db2.gz CAKDWOSGBZREBN-BPAFIMBUSA-N 1 0 370.453 3.606 20 5 FHBDRO COc1cccc(N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000505712663 943541622 /nfs/dbraw/zinc/54/16/22/943541622.db2.gz JEAAOWCHFCTTEK-UHFFFAOYSA-N 1 0 370.453 3.741 20 5 FHBDRO COc1cc(C[NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c([N+](=O)[O-])cc1O ZINC000435737022 943588722 /nfs/dbraw/zinc/58/87/22/943588722.db2.gz CWGYPQXCSCINQF-FUKZOUPISA-N 1 0 364.348 3.623 20 5 FHBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000423944494 943652887 /nfs/dbraw/zinc/65/28/87/943652887.db2.gz SFAGSSUKRZUHBM-QGZVFWFLSA-N 1 0 355.438 3.512 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000504554677 943677078 /nfs/dbraw/zinc/67/70/78/943677078.db2.gz MJUBLUDAEMOALY-MRXNPFEDSA-N 1 0 355.438 3.555 20 5 FHBDRO COc1cc(C[NH2+][C@H]2CC23CC3)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000424182426 943763540 /nfs/dbraw/zinc/76/35/40/943763540.db2.gz HGDQAXBBSHLSDE-IBGZPJMESA-N 1 0 354.406 3.825 20 5 FHBDRO C[C@H](c1ccncc1)N(C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425416857 943855429 /nfs/dbraw/zinc/85/54/29/943855429.db2.gz GVYBZYSZGXGSAD-LLVKDONJSA-N 1 0 350.216 3.945 20 5 FHBDRO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000424337203 943868717 /nfs/dbraw/zinc/86/87/17/943868717.db2.gz ZDNZPYWOJGIZRS-VXGBXAGGSA-N 1 0 363.439 3.510 20 5 FHBDRO [NH3+]C1(c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)CCCCC1 ZINC000424340766 943870995 /nfs/dbraw/zinc/87/09/95/943870995.db2.gz HNJHPJKOZIFFGL-UHFFFAOYSA-N 1 0 367.203 3.525 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)CN(C)C)cc1[N+](=O)[O-] ZINC000504899063 943877048 /nfs/dbraw/zinc/87/70/48/943877048.db2.gz AEKGFAIVYCDIEL-LPHOPBHVSA-N 1 0 371.481 3.817 20 5 FHBDRO CCC[NH+]1CCC([NH2+][C@H](CC)CSc2ccccc2[N+](=O)[O-])CC1 ZINC000504900200 943877238 /nfs/dbraw/zinc/87/72/38/943877238.db2.gz SZKPHPJHPYTVAO-OAHLLOKOSA-N 1 0 351.516 3.930 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2c1cnn2C ZINC000504900439 943877278 /nfs/dbraw/zinc/87/72/78/943877278.db2.gz YBYGDGLDFWGLSA-ZFWWWQNUSA-N 1 0 360.483 3.866 20 5 FHBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417858503 943912426 /nfs/dbraw/zinc/91/24/26/943912426.db2.gz VCOVPOIMZRKZSC-KDOFPFPSSA-N 1 0 370.453 3.526 20 5 FHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC1CC[NH+](CC)CC1 ZINC000120274324 943919702 /nfs/dbraw/zinc/91/97/02/943919702.db2.gz OFVWKZQQKJCVST-UHFFFAOYSA-N 1 0 365.499 3.559 20 5 FHBDRO Cc1ccc2cc(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)ccc2n1 ZINC000437595222 943938030 /nfs/dbraw/zinc/93/80/30/943938030.db2.gz YGMASHPUPPETQJ-UHFFFAOYSA-N 1 0 362.433 3.774 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+](CCO)CC3CC3)o2)c(Cl)c1 ZINC000092505790 943971790 /nfs/dbraw/zinc/97/17/90/943971790.db2.gz NMMGWMLLZMOXFR-UHFFFAOYSA-N 1 0 350.802 3.713 20 5 FHBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312614932 943979863 /nfs/dbraw/zinc/97/98/63/943979863.db2.gz ZYYRLKLZOPDTNP-GOEBONIOSA-N 1 0 370.409 3.826 20 5 FHBDRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000436052625 943995604 /nfs/dbraw/zinc/99/56/04/943995604.db2.gz MUGXWMUYNRHBNM-HUUCEWRRSA-N 1 0 360.483 3.532 20 5 FHBDRO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000425457045 944014628 /nfs/dbraw/zinc/01/46/28/944014628.db2.gz KOJAISOGTFLNIZ-HNNXBMFYSA-N 1 0 369.259 3.748 20 5 FHBDRO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000425457046 944014801 /nfs/dbraw/zinc/01/48/01/944014801.db2.gz KOJAISOGTFLNIZ-OAHLLOKOSA-N 1 0 369.259 3.748 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000506106602 944034595 /nfs/dbraw/zinc/03/45/95/944034595.db2.gz MSXXBYZOQONSHG-ZDUSSCGKSA-N 1 0 353.488 3.557 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+](CC)CC ZINC000506106601 944034868 /nfs/dbraw/zinc/03/48/68/944034868.db2.gz MSXXBYZOQONSHG-CYBMUJFWSA-N 1 0 353.488 3.557 20 5 FHBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000500069612 944053118 /nfs/dbraw/zinc/05/31/18/944053118.db2.gz ISDZTBXJDGBVPP-WMLDXEAASA-N 1 0 357.410 3.990 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]C[C@]3(O)CCC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000517224071 944120759 /nfs/dbraw/zinc/12/07/59/944120759.db2.gz RUAALARXPVSURX-ORAYPTAESA-N 1 0 360.410 3.504 20 5 FHBDRO Cc1c(CNC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)cccc1[N+](=O)[O-] ZINC000418074276 944124467 /nfs/dbraw/zinc/12/44/67/944124467.db2.gz CSENAFXISCSUSK-SFHVURJKSA-N 1 0 370.453 3.526 20 5 FHBDRO C[C@@]1(c2ccccc2)CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000500142785 944156256 /nfs/dbraw/zinc/15/62/56/944156256.db2.gz WQFACZLDJIPJQM-OAQYLSRUSA-N 1 0 367.449 3.977 20 5 FHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000436298468 944182483 /nfs/dbraw/zinc/18/24/83/944182483.db2.gz ZSNYMCQVRXWABC-YEWWUXTCSA-N 1 0 371.412 3.987 20 5 FHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000436316762 944194613 /nfs/dbraw/zinc/19/46/13/944194613.db2.gz KFUOOFLZZGCGHT-GDBMZVCRSA-N 1 0 352.438 3.810 20 5 FHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000436308500 944205329 /nfs/dbraw/zinc/20/53/29/944205329.db2.gz UKGNGHYWYBTXDM-QGPMSJSTSA-N 1 0 353.422 3.848 20 5 FHBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000517358803 944229144 /nfs/dbraw/zinc/22/91/44/944229144.db2.gz YXBCZCDCDLQIKG-KGLIPLIRSA-N 1 0 371.462 3.555 20 5 FHBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000517358802 944229378 /nfs/dbraw/zinc/22/93/78/944229378.db2.gz YXBCZCDCDLQIKG-KBPBESRZSA-N 1 0 371.462 3.555 20 5 FHBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000418229594 944287217 /nfs/dbraw/zinc/28/72/17/944287217.db2.gz HIUXALKSMGQBCQ-IFXJQAMLSA-N 1 0 370.453 3.778 20 5 FHBDRO COc1cc(C[NH2+][C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000436410793 944298354 /nfs/dbraw/zinc/29/83/54/944298354.db2.gz PIKPVWYNFUNGFC-PWSUYJOCSA-N 1 0 362.348 3.823 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001167752433 944363814 /nfs/dbraw/zinc/36/38/14/944363814.db2.gz VSQXUTSFZFNFII-LLVKDONJSA-N 1 0 353.854 3.592 20 5 FHBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C(c1ccccc1)c1ccccc1 ZINC000518459837 944400521 /nfs/dbraw/zinc/40/05/21/944400521.db2.gz RIYBOGAOWSNEFY-UHFFFAOYSA-N 1 0 350.422 3.903 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)o2)c1 ZINC000123719877 944413885 /nfs/dbraw/zinc/41/38/85/944413885.db2.gz NAPJIGXQRHYSSW-ZBFHGGJFSA-N 1 0 370.327 3.742 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(c3ccccc3F)C1)CCC2 ZINC000426307555 944431417 /nfs/dbraw/zinc/43/14/17/944431417.db2.gz RXWIYOJWJCFFQX-DNVCBOLYSA-N 1 0 355.413 3.980 20 5 FHBDRO CCn1c(=O)c2cc3ccccc3cc2nc1SC[C@H]1CC[N@H+](C)C1 ZINC000473781084 944444032 /nfs/dbraw/zinc/44/40/32/944444032.db2.gz MEMVIUFBWKBQGX-AWEZNQCLSA-N 1 0 353.491 3.613 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000123846466 944444527 /nfs/dbraw/zinc/44/45/27/944444527.db2.gz VHOIUGLSQDCHDC-DOTOQJQBSA-N 1 0 359.470 3.735 20 5 FHBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000516133161 944520228 /nfs/dbraw/zinc/52/02/28/944520228.db2.gz WCGCHUQXALDEHF-UHFFFAOYSA-N 1 0 367.515 3.757 20 5 FHBDRO CC(C)c1ccc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000439417426 944590775 /nfs/dbraw/zinc/59/07/75/944590775.db2.gz BSUVZDDKSYLPRR-INIZCTEOSA-N 1 0 361.486 3.960 20 5 FHBDRO C[C@@H](C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000066854644 944638030 /nfs/dbraw/zinc/63/80/30/944638030.db2.gz GAQUJFGEJXJYOC-ZDUSSCGKSA-N 1 0 361.829 3.922 20 5 FHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418462591 944641375 /nfs/dbraw/zinc/64/13/75/944641375.db2.gz NHXJBIQQKNZCHY-HNNXBMFYSA-N 1 0 370.453 3.735 20 5 FHBDRO CSc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000439487105 944668422 /nfs/dbraw/zinc/66/84/22/944668422.db2.gz ZVWFXPOZZSBWMP-CYBMUJFWSA-N 1 0 359.451 3.914 20 5 FHBDRO C[NH+](C)[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000518771953 944730301 /nfs/dbraw/zinc/73/03/01/944730301.db2.gz APLGFABPGBEKHJ-INIZCTEOSA-N 1 0 359.426 3.581 20 5 FHBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000426761547 944784913 /nfs/dbraw/zinc/78/49/13/944784913.db2.gz BLFDOKYUGNUIKX-GFCCVEGCSA-N 1 0 373.906 3.577 20 5 FHBDRO COc1cc(C[NH2+]CCOc2cccc(C(C)(C)C)c2)c([N+](=O)[O-])cc1O ZINC000506286375 944817932 /nfs/dbraw/zinc/81/79/32/944817932.db2.gz VKANNGJFFCCAFM-UHFFFAOYSA-N 1 0 374.437 3.775 20 5 FHBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000518832900 944824813 /nfs/dbraw/zinc/82/48/13/944824813.db2.gz ZIBRVYSNWYTGJR-UHFFFAOYSA-N 1 0 363.801 3.571 20 5 FHBDRO Cc1c(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000506292836 944837799 /nfs/dbraw/zinc/83/77/99/944837799.db2.gz CANNJCDMFKQMLD-KBPBESRZSA-N 1 0 362.474 3.781 20 5 FHBDRO CC(C)(C)[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000507002778 944870040 /nfs/dbraw/zinc/87/00/40/944870040.db2.gz RWNXINKIADSDJF-HXUWFJFHSA-N 1 0 367.449 3.861 20 5 FHBDRO CCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 ZINC000517980726 944904379 /nfs/dbraw/zinc/90/43/79/944904379.db2.gz VVJIWNZOPIBRDO-UHFFFAOYSA-N 1 0 371.462 3.524 20 5 FHBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437951871 944928612 /nfs/dbraw/zinc/92/86/12/944928612.db2.gz HYVCSHORCWJIPW-HOTGVXAUSA-N 1 0 374.485 3.532 20 5 FHBDRO C[C@H](CO[C@H]1CCOC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000151204403 944979041 /nfs/dbraw/zinc/97/90/41/944979041.db2.gz XITIZYVZHLLZQB-CJNGLKHVSA-N 1 0 362.451 3.607 20 5 FHBDRO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000543206897 944991741 /nfs/dbraw/zinc/99/17/41/944991741.db2.gz DXHIAHFLPXYDTR-ZVZYQTTQSA-N 1 0 374.437 3.709 20 5 FHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000843761041 945008578 /nfs/dbraw/zinc/00/85/78/945008578.db2.gz GEECXZBCFWSZGX-SFHVURJKSA-N 1 0 373.428 3.855 20 5 FHBDRO COCC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCOC1 ZINC000426505412 945008855 /nfs/dbraw/zinc/00/88/55/945008855.db2.gz WOXLMLONXCWVTG-MRXNPFEDSA-N 1 0 362.451 3.561 20 5 FHBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@H]1n1cccn1 ZINC000516583917 945037714 /nfs/dbraw/zinc/03/77/14/945037714.db2.gz LVRJOPOARJVIGH-UKBAYJJMSA-N 1 0 370.453 3.566 20 5 FHBDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@@H]1CCCCO1 ZINC000106867039 945419411 /nfs/dbraw/zinc/41/94/11/945419411.db2.gz GBURVVLTBVMLAO-KRWDZBQOSA-N 1 0 363.458 3.513 20 5 FHBDRO Cc1cccc(N2CCC([NH2+]CCOc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000549523147 945430085 /nfs/dbraw/zinc/43/00/85/945430085.db2.gz AERLHCBWTODPFW-UHFFFAOYSA-N 1 0 355.438 3.541 20 5 FHBDRO CCN(CC)C(=O)C1(NCc2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000543858875 945549506 /nfs/dbraw/zinc/54/95/06/945549506.db2.gz BWBZGSZREBPHMF-UHFFFAOYSA-N 1 0 367.877 3.909 20 5 FHBDRO CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H](C)Cc1ccsc1 ZINC000187777085 945593492 /nfs/dbraw/zinc/59/34/92/945593492.db2.gz WIASZODANVEKFJ-CYBMUJFWSA-N 1 0 362.451 3.976 20 5 FHBDRO CC(=O)NCC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)Cc1ccsc1 ZINC000519655372 945604649 /nfs/dbraw/zinc/60/46/49/945604649.db2.gz VHFJQXJFZBEPHS-GDNBJRDFSA-N 1 0 373.478 3.698 20 5 FHBDRO CCCCO[C@@H]1C[C@@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000519725703 945676671 /nfs/dbraw/zinc/67/66/71/945676671.db2.gz PQPSKPHAOYZDQO-HZPDHXFCSA-N 1 0 374.441 3.718 20 5 FHBDRO COc1ccc(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CCOCC2)cc1F ZINC000444013086 945723714 /nfs/dbraw/zinc/72/37/14/945723714.db2.gz XHIZCDBRVMKYRB-UHFFFAOYSA-N 1 0 360.385 3.538 20 5 FHBDRO C[C@@H](CO)[N@H+](C)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000519794111 945748090 /nfs/dbraw/zinc/74/80/90/945748090.db2.gz VMQQTVHUKIEQBB-LBPRGKRZSA-N 1 0 350.802 3.853 20 5 FHBDRO COc1ccc(Cl)cc1C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000108064519 945849313 /nfs/dbraw/zinc/84/93/13/945849313.db2.gz IJGXSHAXPNPQHQ-UHFFFAOYSA-N 1 0 350.802 3.768 20 5 FHBDRO CC(C)C[NH+]1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000108103585 945860890 /nfs/dbraw/zinc/86/08/90/945860890.db2.gz RBVZIHAACRDUQR-UHFFFAOYSA-N 1 0 356.264 3.890 20 5 FHBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000522878097 946052265 /nfs/dbraw/zinc/05/22/65/946052265.db2.gz RTWWSWUEODYKKI-QGZVFWFLSA-N 1 0 373.840 3.643 20 5 FHBDRO CN1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000125447597 946063788 /nfs/dbraw/zinc/06/37/88/946063788.db2.gz YSYXZFNPYPKAHP-HOCLYGCPSA-N 1 0 351.859 3.845 20 5 FHBDRO C/C(=C\C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000785285260 946276386 /nfs/dbraw/zinc/27/63/86/946276386.db2.gz XKKLMSMGMBYLLQ-IWLLYFRBSA-N 1 0 359.470 3.769 20 5 FHBDRO COc1ccc(-c2ccc(CNC[C@H]3CC[N@@H+](C(C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000549551691 946322551 /nfs/dbraw/zinc/32/25/51/946322551.db2.gz XCMKSRSKIPEPTE-OAHLLOKOSA-N 1 0 373.453 3.683 20 5 FHBDRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000109530526 946323847 /nfs/dbraw/zinc/32/38/47/946323847.db2.gz SYVXTXUJWMEZFO-UHFFFAOYSA-N 1 0 356.426 3.677 20 5 FHBDRO Cn1nc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c2ccccc21 ZINC000186486419 946396313 /nfs/dbraw/zinc/39/63/13/946396313.db2.gz MCCUXOVCCPPFCL-LJQANCHMSA-N 1 0 364.449 3.635 20 5 FHBDRO CC(C)(O)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000111385719 946446901 /nfs/dbraw/zinc/44/69/01/946446901.db2.gz FEJKTQFABLYJLI-UHFFFAOYSA-N 1 0 350.802 3.901 20 5 FHBDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000441373791 946525022 /nfs/dbraw/zinc/52/50/22/946525022.db2.gz FKQDDZMRJSKOEA-AZUAARDMSA-N 1 0 372.465 3.596 20 5 FHBDRO Cc1ccc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000186589858 946608430 /nfs/dbraw/zinc/60/84/30/946608430.db2.gz YHHUJJPZYIZMHS-UHFFFAOYSA-N 1 0 358.413 3.612 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@H+]2CCC[C@H]2CO)cc1 ZINC000511896000 946627547 /nfs/dbraw/zinc/62/75/47/946627547.db2.gz ZMSGBCNAXDLVCF-HNNXBMFYSA-N 1 0 362.813 3.997 20 5 FHBDRO COc1cc(C[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1O ZINC000475561024 946666024 /nfs/dbraw/zinc/66/60/24/946666024.db2.gz XEQYYGKUTBRLCG-CJNGLKHVSA-N 1 0 360.385 3.874 20 5 FHBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000067529353 946674416 /nfs/dbraw/zinc/67/44/16/946674416.db2.gz UNQWHZOSLLPLAC-KRWDZBQOSA-N 1 0 368.437 3.629 20 5 FHBDRO COc1cccc([C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)N(C)C)c1 ZINC000237311065 946721093 /nfs/dbraw/zinc/72/10/93/946721093.db2.gz WIUFGYXZPVHADF-GOSISDBHSA-N 1 0 363.845 3.649 20 5 FHBDRO Cc1cc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549576867 946826978 /nfs/dbraw/zinc/82/69/78/946826978.db2.gz FLWKFCCSRTXPCR-MRXNPFEDSA-N 1 0 357.376 3.844 20 5 FHBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000549578147 946838550 /nfs/dbraw/zinc/83/85/50/946838550.db2.gz SEPIDSSFMZWHMJ-OAQYLSRUSA-N 1 0 367.449 3.706 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC001126170261 946902835 /nfs/dbraw/zinc/90/28/35/946902835.db2.gz HAVQFQAYBIQYLP-UHFFFAOYSA-N 1 0 371.437 3.794 20 5 FHBDRO COc1cc(C[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1O ZINC000475339699 946908956 /nfs/dbraw/zinc/90/89/56/946908956.db2.gz RIXFBGUNPZBSIF-CJNGLKHVSA-N 1 0 360.385 3.874 20 5 FHBDRO CC[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000123894214 946917069 /nfs/dbraw/zinc/91/70/69/946917069.db2.gz SJTQLMGVOAXEGO-HKUYNNGSSA-N 1 0 359.470 3.817 20 5 FHBDRO COc1cc(C[NH2+]CCC2CC(OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000432244458 946927226 /nfs/dbraw/zinc/92/72/26/946927226.db2.gz BZLJUJWYZAYWRE-UHFFFAOYSA-N 1 0 366.458 3.685 20 5 FHBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@@H]1C ZINC000475361238 946952587 /nfs/dbraw/zinc/95/25/87/946952587.db2.gz FSHXZAHSXCTMIA-GUYCJALGSA-N 1 0 374.462 3.954 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000475376099 946986509 /nfs/dbraw/zinc/98/65/09/946986509.db2.gz RLZNLEHCLVWMFD-VNAOOCAESA-N 1 0 352.434 3.678 20 5 FHBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186367933 947075701 /nfs/dbraw/zinc/07/57/01/947075701.db2.gz GGKOGLUYWNCXRY-ROUUACIJSA-N 1 0 359.426 3.933 20 5 FHBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186367912 947075738 /nfs/dbraw/zinc/07/57/38/947075738.db2.gz GGKOGLUYWNCXRY-ZWKOTPCHSA-N 1 0 359.426 3.933 20 5 FHBDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000444667133 947094696 /nfs/dbraw/zinc/09/46/96/947094696.db2.gz AVMJRXBPSITRKX-PBHICJAKSA-N 1 0 363.458 3.833 20 5 FHBDRO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCCC[C@H]1C ZINC000444675377 947100207 /nfs/dbraw/zinc/10/02/07/947100207.db2.gz LXEPIGKOAFYVTH-GDBMZVCRSA-N 1 0 361.442 3.793 20 5 FHBDRO C[NH+](C)C1(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCCCCC1 ZINC000025998913 947140648 /nfs/dbraw/zinc/14/06/48/947140648.db2.gz WUDSCWHXPUNQHE-UHFFFAOYSA-N 1 0 374.485 3.554 20 5 FHBDRO Cc1cc(C)cc(C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000444712637 947142697 /nfs/dbraw/zinc/14/26/97/947142697.db2.gz ZYNHQAISCUFSIG-UHFFFAOYSA-N 1 0 355.438 3.981 20 5 FHBDRO COc1ccc(C2([NH2+]Cc3ccccc3[N+](=O)[O-])CCOCC2)cc1F ZINC000444814710 947250763 /nfs/dbraw/zinc/25/07/63/947250763.db2.gz FJBFZCLMAIGETM-UHFFFAOYSA-N 1 0 360.385 3.538 20 5 FHBDRO O=C(NC1CC1)[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000151825127 947302430 /nfs/dbraw/zinc/30/24/30/947302430.db2.gz GHFDKORBDLNYOX-FQEVSTJZSA-N 1 0 367.449 3.527 20 5 FHBDRO Cc1cc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000072808646 947343141 /nfs/dbraw/zinc/34/31/41/947343141.db2.gz CDHSATUGKLBMRN-DLBZAZTESA-N 1 0 359.470 3.630 20 5 FHBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000523669496 947478223 /nfs/dbraw/zinc/47/82/23/947478223.db2.gz AYCAHDAGVYIBMF-INIZCTEOSA-N 1 0 359.426 3.725 20 5 FHBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000523669497 947478424 /nfs/dbraw/zinc/47/84/24/947478424.db2.gz AYCAHDAGVYIBMF-MRXNPFEDSA-N 1 0 359.426 3.725 20 5 FHBDRO Cc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c(C[NH+](C)C)c1 ZINC000072839732 947569961 /nfs/dbraw/zinc/56/99/61/947569961.db2.gz KYPDFHGGSJUQGE-UHFFFAOYSA-N 1 0 352.394 3.698 20 5 FHBDRO CC[NH+](CC)CCOc1ccccc1CNc1nccc(C)c1[N+](=O)[O-] ZINC000523759906 947578268 /nfs/dbraw/zinc/57/82/68/947578268.db2.gz UGOUDBKJYPWJKE-UHFFFAOYSA-N 1 0 358.442 3.631 20 5 FHBDRO CC[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@]2(CCOC2)O1 ZINC000475624989 947611864 /nfs/dbraw/zinc/61/18/64/947611864.db2.gz LTADRPBIGRDERJ-FOIQADDNSA-N 1 0 372.421 3.625 20 5 FHBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000843773364 947638208 /nfs/dbraw/zinc/63/82/08/947638208.db2.gz AOYVVDKOXUUKJV-BETUJISGSA-N 1 0 365.449 3.529 20 5 FHBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000212837054 947691293 /nfs/dbraw/zinc/69/12/93/947691293.db2.gz SGMGOHGBGIOZOB-IBWPDUFMSA-N 1 0 369.421 3.544 20 5 FHBDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000236791169 947887528 /nfs/dbraw/zinc/88/75/28/947887528.db2.gz QCOCREWNGNVJOU-RDJZCZTQSA-N 1 0 363.458 3.768 20 5 FHBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000473988080 947910573 /nfs/dbraw/zinc/91/05/73/947910573.db2.gz JIIBDZFDTSCIQP-CRAIPNDOSA-N 1 0 355.438 3.613 20 5 FHBDRO O=[N+]([O-])c1cccc2c(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccnc21 ZINC000432341330 948165435 /nfs/dbraw/zinc/16/54/35/948165435.db2.gz WGMIKDAXUBKGHF-WMLDXEAASA-N 1 0 352.438 3.596 20 5 FHBDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000432361283 948214739 /nfs/dbraw/zinc/21/47/39/948214739.db2.gz CQHNIMVWRDOLNM-YJBOKZPZSA-N 1 0 355.438 3.877 20 5 FHBDRO CN1CC[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000585717151 948231359 /nfs/dbraw/zinc/23/13/59/948231359.db2.gz VSUBQHGCADMYKY-FUHWJXTLSA-N 1 0 365.355 3.547 20 5 FHBDRO COc1ccc(OCC[N@@H+]2CC[C@H](c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000441535405 948232691 /nfs/dbraw/zinc/23/26/91/948232691.db2.gz PSNUABQHXPTOIW-INIZCTEOSA-N 1 0 356.422 3.780 20 5 FHBDRO CN(c1ccccc1)c1ccc(C[N@H+](CCO)CC2CC2)cc1[N+](=O)[O-] ZINC000512053549 948313601 /nfs/dbraw/zinc/31/36/01/948313601.db2.gz RLIUBOWFSLHXPE-UHFFFAOYSA-N 1 0 355.438 3.567 20 5 FHBDRO COCC(C)(C)[NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000066996022 948504913 /nfs/dbraw/zinc/50/49/13/948504913.db2.gz CDMVABMRAOVAKL-UHFFFAOYSA-N 1 0 374.437 3.697 20 5 FHBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000279129168 948535274 /nfs/dbraw/zinc/53/52/74/948535274.db2.gz WWFOAKRCOSWABY-UHFFFAOYSA-N 1 0 363.461 3.650 20 5 FHBDRO CC1(C)C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2Br)C(C)(C)O1 ZINC000839562521 948604018 /nfs/dbraw/zinc/60/40/18/948604018.db2.gz YXIPPNDHJWWZSG-LBPRGKRZSA-N 1 0 357.248 3.793 20 5 FHBDRO Cc1ccc2c(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)ccc(O)c2n1 ZINC000574859263 948634886 /nfs/dbraw/zinc/63/48/86/948634886.db2.gz QHUBJASCAAXMIB-UHFFFAOYSA-N 1 0 351.406 3.832 20 5 FHBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000090113404 948665280 /nfs/dbraw/zinc/66/52/80/948665280.db2.gz OONNBOUMTAGEIP-IAGOWNOFSA-N 1 0 352.438 3.577 20 5 FHBDRO COc1ccc(CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1[N+](=O)[O-] ZINC000512184659 948723516 /nfs/dbraw/zinc/72/35/16/948723516.db2.gz YCMAMCXKPFELBM-SFHVURJKSA-N 1 0 361.486 3.547 20 5 FHBDRO COC(=O)/C=C/c1ccc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000029076940 203870086 /nfs/dbraw/zinc/87/00/86/203870086.db2.gz JELJUVSRVFENKT-VQHVLOKHSA-N 1 0 361.442 3.502 20 5 FHBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000109497406 206058672 /nfs/dbraw/zinc/05/86/72/206058672.db2.gz XZCACTLMTCGDRY-UHFFFAOYSA-N 1 0 371.462 3.704 20 5 FHBDRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000109504063 206059160 /nfs/dbraw/zinc/05/91/60/206059160.db2.gz UAPKIYWDIBAKBO-UHFFFAOYSA-N 1 0 367.449 3.901 20 5 FHBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000055357368 136126540 /nfs/dbraw/zinc/12/65/40/136126540.db2.gz RZPVAKLPMCKLQE-UHFFFAOYSA-N 1 0 366.396 3.604 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)N1CCc2sccc2C1 ZINC000043148874 567827786 /nfs/dbraw/zinc/82/77/86/567827786.db2.gz NFJJMSKBUBLQQD-ZDUSSCGKSA-N 1 0 374.466 3.533 20 5 FHBDRO C[C@@H]1C[NH+](Cc2ccccc2NCCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000541798913 567872514 /nfs/dbraw/zinc/87/25/14/567872514.db2.gz AWBBALITSUUEPH-IAGOWNOFSA-N 1 0 369.465 3.859 20 5 FHBDRO C[C@@H]1C[C@H](CC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCO1 ZINC000602609727 567997394 /nfs/dbraw/zinc/99/73/94/567997394.db2.gz QZYKKWAQWZHNOH-NXEZZACHSA-N 1 0 363.277 3.714 20 5 FHBDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000481495987 567999611 /nfs/dbraw/zinc/99/96/11/567999611.db2.gz NSCRNDZQHUZVCY-SCLBCKFNSA-N 1 0 364.829 3.993 20 5 FHBDRO COc1cc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000490341112 568032433 /nfs/dbraw/zinc/03/24/33/568032433.db2.gz PCKVXQAMYRZHMU-NEPJUHHUSA-N 1 0 358.385 3.868 20 5 FHBDRO COc1cc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000490341114 568033641 /nfs/dbraw/zinc/03/36/41/568033641.db2.gz PCKVXQAMYRZHMU-RYUDHWBXSA-N 1 0 358.385 3.868 20 5 FHBDRO CCSCC[C@H](C)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072901611 568056892 /nfs/dbraw/zinc/05/68/92/568056892.db2.gz OAMGYWZMMPZEII-LBPRGKRZSA-N 1 0 350.444 3.608 20 5 FHBDRO Cc1c([C@@H](C)[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000481570060 568057444 /nfs/dbraw/zinc/05/74/44/568057444.db2.gz DLFNDVWWELJSBS-CRAIPNDOSA-N 1 0 355.438 3.773 20 5 FHBDRO CCC[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000481582671 568059586 /nfs/dbraw/zinc/05/95/86/568059586.db2.gz OUBXAUBAHOMQOU-MJGOQNOKSA-N 1 0 362.401 3.605 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(NCc2nccn2CCCc2ccccc2)n1 ZINC000482002753 568220657 /nfs/dbraw/zinc/22/06/57/568220657.db2.gz RBPPFPKFJVYSJZ-UHFFFAOYSA-N 1 0 351.410 3.740 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(c3ncc4n3CCCC4)CC2)cc1 ZINC000568831069 568231121 /nfs/dbraw/zinc/23/11/21/568231121.db2.gz IKUKJNTWWVDXCV-UHFFFAOYSA-N 1 0 354.454 3.550 20 5 FHBDRO CC(C)n1ncc2cc(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])cnc21 ZINC000291707686 568278348 /nfs/dbraw/zinc/27/83/48/568278348.db2.gz LAMSPAYXJHWAQR-UHFFFAOYSA-N 1 0 353.426 3.945 20 5 FHBDRO CC[NH+](CC)[C@H](C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000541992096 568305232 /nfs/dbraw/zinc/30/52/32/568305232.db2.gz MMFSCFMTAOHYCY-SFHVURJKSA-N 1 0 357.410 3.625 20 5 FHBDRO CC(=O)c1cc(NCc2ccc(OCCC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000569517859 568404646 /nfs/dbraw/zinc/40/46/46/568404646.db2.gz BQUQZHQFLGUHCN-UHFFFAOYSA-N 1 0 371.437 3.740 20 5 FHBDRO CC(C)Oc1ccc([C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000569735414 568414929 /nfs/dbraw/zinc/41/49/29/568414929.db2.gz XPNHLRDSDVTUDO-HXUWFJFHSA-N 1 0 357.454 3.775 20 5 FHBDRO CC1=C(c2ccco2)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000569869993 568432117 /nfs/dbraw/zinc/43/21/17/568432117.db2.gz LOHUJJYXJRNMNC-UHFFFAOYSA-N 1 0 355.394 3.696 20 5 FHBDRO COc1ccc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(Cl)c1OC ZINC000569990630 568446790 /nfs/dbraw/zinc/44/67/90/568446790.db2.gz BMMOANRCISXXEF-UHFFFAOYSA-N 1 0 350.802 3.598 20 5 FHBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001164420670 718891776 /nfs/dbraw/zinc/89/17/76/718891776.db2.gz VMHFYDQOIUYVNE-AWEZNQCLSA-N 1 0 374.819 3.547 20 5 FHBDRO Cc1c(C)c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ncc1[N+](=O)[O-] ZINC001164621038 719082754 /nfs/dbraw/zinc/08/27/54/719082754.db2.gz GLTZIUXGEJYSQZ-ICSRJNTNSA-N 1 0 366.465 3.707 20 5 FHBDRO Cc1ccnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC001164993894 722195923 /nfs/dbraw/zinc/19/59/23/722195923.db2.gz IWCUIQWYSQVWQH-FQEVSTJZSA-N 1 0 370.428 3.682 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000178729644 936326697 /nfs/dbraw/zinc/32/66/97/936326697.db2.gz ZXFPNQBANVQGOQ-AWEZNQCLSA-N 1 0 352.394 3.640 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000178728482 936326742 /nfs/dbraw/zinc/32/67/42/936326742.db2.gz YCFLUCAMQBYGFK-ZDUSSCGKSA-N 1 0 360.410 3.780 20 5 FHBDRO Cc1cc(F)cc(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000176753575 936342211 /nfs/dbraw/zinc/34/22/11/936342211.db2.gz XLQLFBGBELPNCS-UHFFFAOYSA-N 1 0 373.428 3.813 20 5 FHBDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000582992559 936349251 /nfs/dbraw/zinc/34/92/51/936349251.db2.gz GSANUKFMCFIHPQ-MRXNPFEDSA-N 1 0 371.437 3.593 20 5 FHBDRO Cc1cc(NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000153647747 936356202 /nfs/dbraw/zinc/35/62/02/936356202.db2.gz CXQQIZXDTJTLKQ-KRWDZBQOSA-N 1 0 374.485 3.879 20 5 FHBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000048885997 936383622 /nfs/dbraw/zinc/38/36/22/936383622.db2.gz OLRSBWHSWFDPGK-GJZGRUSLSA-N 1 0 371.437 3.596 20 5 FHBDRO COc1cccc(N2CC[C@H](C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])C2)c1 ZINC000583094184 937114588 /nfs/dbraw/zinc/11/45/88/937114588.db2.gz SANAZQASRLGVOW-QRWLVFNGSA-N 1 0 367.449 3.707 20 5 FHBDRO COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])C2)c1 ZINC000583094182 937114684 /nfs/dbraw/zinc/11/46/84/937114684.db2.gz SANAZQASRLGVOW-FOIQADDNSA-N 1 0 367.449 3.707 20 5 FHBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000175284331 927460615 /nfs/dbraw/zinc/46/06/15/927460615.db2.gz WVFCXWJCBDRNEA-INIZCTEOSA-N 1 0 373.478 3.641 20 5 FHBDRO Cc1ccc([C@H]2CCCC[N@@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000610215322 928171627 /nfs/dbraw/zinc/17/16/27/928171627.db2.gz ZJWGXJGTPVTHGY-PZJWPPBQSA-N 1 0 370.449 3.870 20 5 FHBDRO O=[N+]([O-])c1cccc2ccc(N3CC4(CC[NH2+]CC4)c4ccccc43)nc21 ZINC001167071324 928226263 /nfs/dbraw/zinc/22/62/63/928226263.db2.gz YOBBXWYKXQPPPB-UHFFFAOYSA-N 1 0 360.417 3.916 20 5 FHBDRO C[C@H]1C[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])s2)C[N@@H+]1Cc1ccccc1 ZINC000510097869 928232483 /nfs/dbraw/zinc/23/24/83/928232483.db2.gz IQDNTKPJRIILMN-GOEBONIOSA-N 1 0 373.478 3.687 20 5 FHBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)[C@H]1CCCO1 ZINC000535960046 937231625 /nfs/dbraw/zinc/23/16/25/937231625.db2.gz OHPXZIDSBMHTSW-VQIMIIECSA-N 1 0 360.410 3.911 20 5 FHBDRO O=[N+]([O-])c1ccc2ccnc(N3CC4(CC[NH2+]CC4)c4ccccc43)c2c1 ZINC001167072350 928269091 /nfs/dbraw/zinc/26/90/91/928269091.db2.gz ZEIWMMSBIVLQTF-UHFFFAOYSA-N 1 0 360.417 3.916 20 5 FHBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ncc(Br)s1 ZINC000179225343 928789837 /nfs/dbraw/zinc/78/98/37/928789837.db2.gz HZLPNPFGGYFRRF-VIFPVBQESA-N 1 0 356.245 3.707 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)nc1Cl ZINC001167085719 928888703 /nfs/dbraw/zinc/88/87/03/928888703.db2.gz UYKOXVXDDMDRTM-UHFFFAOYSA-N 1 0 360.776 3.680 20 5 FHBDRO O=C(Nc1cccc2c1CCCC2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032626600 928940568 /nfs/dbraw/zinc/94/05/68/928940568.db2.gz XUPKGKBNKZPFMA-UHFFFAOYSA-N 1 0 362.389 3.912 20 5 FHBDRO Cc1c(C(=O)OCC2CC[NH+](Cc3ccco3)CC2)cccc1[N+](=O)[O-] ZINC000120602007 929067445 /nfs/dbraw/zinc/06/74/45/929067445.db2.gz WWRUDUFBEHRMBZ-UHFFFAOYSA-N 1 0 358.394 3.565 20 5 FHBDRO C[NH+](C)CCc1ccccc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000275661463 929763706 /nfs/dbraw/zinc/76/37/06/929763706.db2.gz NZFCAYIJAZENHN-UHFFFAOYSA-N 1 0 355.438 3.615 20 5 FHBDRO CC(C)[N@H+](C)CCCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275742149 930089619 /nfs/dbraw/zinc/08/96/19/930089619.db2.gz XIIKUBABACSNCL-UHFFFAOYSA-N 1 0 351.450 3.554 20 5 FHBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000255162022 930124005 /nfs/dbraw/zinc/12/40/05/930124005.db2.gz GTVIXVWHCDHGGN-ADYPVZHUSA-N 1 0 371.481 3.723 20 5 FHBDRO Cc1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000536370131 930479860 /nfs/dbraw/zinc/47/98/60/930479860.db2.gz JKKJPKQHTFZVEQ-SJLPKXTDSA-N 1 0 373.840 3.732 20 5 FHBDRO CSc1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000471556915 930493902 /nfs/dbraw/zinc/49/39/02/930493902.db2.gz SDUFLZYCOSSFED-SCLBCKFNSA-N 1 0 373.478 3.738 20 5 FHBDRO C[C@]1(C[NH3+])CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000261632455 930627764 /nfs/dbraw/zinc/62/77/64/930627764.db2.gz CYIHYMOLWAQVCT-LJQANCHMSA-N 1 0 359.401 3.697 20 5 FHBDRO COc1ccccc1[C@H]1CC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121218765 930698483 /nfs/dbraw/zinc/69/84/83/930698483.db2.gz UVQUEKJFFJMTEV-HNNXBMFYSA-N 1 0 366.421 3.709 20 5 FHBDRO COC(=O)CCC[C@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000580577480 930873576 /nfs/dbraw/zinc/87/35/76/930873576.db2.gz YIGDZELLDFVIQC-ZBFHGGJFSA-N 1 0 364.442 3.595 20 5 FHBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001167434215 931139841 /nfs/dbraw/zinc/13/98/41/931139841.db2.gz SQXMKFXKBGSAOM-XUJVJEKNSA-N 1 0 351.834 3.840 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)cs2)c1 ZINC000537694100 931209529 /nfs/dbraw/zinc/20/95/29/931209529.db2.gz XACVTISYLLOPDS-HZPDHXFCSA-N 1 0 373.478 3.967 20 5 FHBDRO Cc1ccc([C@H](C)NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1[N+](=O)[O-] ZINC000177839429 931268394 /nfs/dbraw/zinc/26/83/94/931268394.db2.gz ARNXKXSUTWNGDC-INIZCTEOSA-N 1 0 367.449 3.990 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000177964886 931798666 /nfs/dbraw/zinc/79/86/66/931798666.db2.gz AVAZMHRDKWHTDW-CQSZACIVSA-N 1 0 365.499 3.773 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CCC(F)(F)F)CC1CC1 ZINC000084138371 932153239 /nfs/dbraw/zinc/15/32/39/932153239.db2.gz XLSIGLBFOLOAEZ-UHFFFAOYSA-N 1 0 359.348 3.506 20 5 FHBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000023196837 932757859 /nfs/dbraw/zinc/75/78/59/932757859.db2.gz KERSDJZBCYQVHW-IBGZPJMESA-N 1 0 369.465 3.586 20 5 FHBDRO C/C(=C\C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000785071712 932834516 /nfs/dbraw/zinc/83/45/16/932834516.db2.gz XNTXJNRLVGMSLN-FIIODCPWSA-N 1 0 371.412 3.556 20 5 FHBDRO COc1ccc([C@@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])cc1OC ZINC000051284035 932893331 /nfs/dbraw/zinc/89/33/31/932893331.db2.gz YMQKVERBOBOEGU-INIZCTEOSA-N 1 0 372.421 3.828 20 5 FHBDRO CC(C)[NH+](CCS[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000161061411 932985050 /nfs/dbraw/zinc/98/50/50/932985050.db2.gz CIVFPDWTUGDIPQ-CQSZACIVSA-N 1 0 353.488 3.774 20 5 FHBDRO COc1cccc([C@H](CNc2cc(C)c([N+](=O)[O-])cn2)[NH+]2CCCC2)c1 ZINC000074726131 933075985 /nfs/dbraw/zinc/07/59/85/933075985.db2.gz FUDPOMMMXCNVTI-SFHVURJKSA-N 1 0 356.426 3.556 20 5 FHBDRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000156513135 933088056 /nfs/dbraw/zinc/08/80/56/933088056.db2.gz IQTLGZPSZPEVBU-HNNXBMFYSA-N 1 0 355.438 3.880 20 5 FHBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1)[NH+](C)C ZINC000510527868 933188502 /nfs/dbraw/zinc/18/85/02/933188502.db2.gz VBRWJRXAEYWKLB-KXBFYZLASA-N 1 0 355.438 3.633 20 5 FHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2c(F)cc(F)c(F)c2F)n1 ZINC000430739287 933192131 /nfs/dbraw/zinc/19/21/31/933192131.db2.gz HLWMKMZCZLIGDJ-OLZOCXBDSA-N 1 0 372.322 3.621 20 5 FHBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000430830601 933280320 /nfs/dbraw/zinc/28/03/20/933280320.db2.gz OWGCCVSOFCDQHR-DYVFJYSZSA-N 1 0 367.877 3.879 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000477851875 933718896 /nfs/dbraw/zinc/71/88/96/933718896.db2.gz LBVBWIMWGPMNMC-AUUYWEPGSA-N 1 0 350.459 3.975 20 5 FHBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000247527488 934089095 /nfs/dbraw/zinc/08/90/95/934089095.db2.gz XERCSTCSPFFCAU-GJZGRUSLSA-N 1 0 374.510 3.928 20 5 FHBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000535706465 934303266 /nfs/dbraw/zinc/30/32/66/934303266.db2.gz VSHNIKXOSOHLGB-UHFFFAOYSA-N 1 0 352.394 3.698 20 5 FHBDRO Cc1noc(C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000277042872 934464762 /nfs/dbraw/zinc/46/47/62/934464762.db2.gz GIEVAVFYVUSEJD-SCLBCKFNSA-N 1 0 352.394 3.921 20 5 FHBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000610859165 934533523 /nfs/dbraw/zinc/53/35/23/934533523.db2.gz FYDWAPJAKDGBGS-OAHLLOKOSA-N 1 0 371.462 3.570 20 5 FHBDRO CCC[C@H]([NH2+]CCNC(=O)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000178453338 934586765 /nfs/dbraw/zinc/58/67/65/934586765.db2.gz MYAZCAJKBSURFK-SFHVURJKSA-N 1 0 359.401 3.595 20 5 FHBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(OC)cc1 ZINC000119444740 934808805 /nfs/dbraw/zinc/80/88/05/934808805.db2.gz HAZAGWBYGQFUIG-WMLDXEAASA-N 1 0 371.437 3.980 20 5 FHBDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000119454879 934815438 /nfs/dbraw/zinc/81/54/38/934815438.db2.gz OKDITBLLZCSIKI-CQSZACIVSA-N 1 0 371.466 3.916 20 5 FHBDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000510996777 934827663 /nfs/dbraw/zinc/82/76/63/934827663.db2.gz UOJRIXHUNXZIEQ-OLMNPRSZSA-N 1 0 354.454 3.707 20 5 FHBDRO COc1ccccc1[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)OC(C)C ZINC000472054283 934908542 /nfs/dbraw/zinc/90/85/42/934908542.db2.gz QWMGRBWHSJGEJH-IBGZPJMESA-N 1 0 362.401 3.998 20 5 FHBDRO Cc1c(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000380853489 934939205 /nfs/dbraw/zinc/93/92/05/934939205.db2.gz CXMVGKZTZZCPDC-LEWJYISDSA-N 1 0 365.477 3.857 20 5 FHBDRO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000119669559 934999668 /nfs/dbraw/zinc/99/96/68/934999668.db2.gz IYHQGUFBTLYGBY-HZPDHXFCSA-N 1 0 355.438 3.841 20 5 FHBDRO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000119669852 934999695 /nfs/dbraw/zinc/99/96/95/934999695.db2.gz IYHQGUFBTLYGBY-CVEARBPZSA-N 1 0 355.438 3.841 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000539088134 935015037 /nfs/dbraw/zinc/01/50/37/935015037.db2.gz OCODHXBOMCJFRF-KYNGSXCRSA-N 1 0 358.413 3.768 20 5 FHBDRO CC[C@H](c1ccccc1)[NH+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001167509548 935028100 /nfs/dbraw/zinc/02/81/00/935028100.db2.gz PAUVFLYHHSXOHY-OAQYLSRUSA-N 1 0 369.465 3.743 20 5 FHBDRO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C)c2)N2CCOCC2)cc1 ZINC000071968908 935130050 /nfs/dbraw/zinc/13/00/50/935130050.db2.gz NGOZWIZZGMHCIT-FQEVSTJZSA-N 1 0 355.438 3.697 20 5 FHBDRO Cc1ccc([C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000119724854 935134835 /nfs/dbraw/zinc/13/48/35/935134835.db2.gz ZSAKQHXAAFQCNK-LJQANCHMSA-N 1 0 371.412 3.609 20 5 FHBDRO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C12CCCCC2 ZINC001167539099 935151343 /nfs/dbraw/zinc/15/13/43/935151343.db2.gz IUHPBQRTNYQEAQ-GUDVDZBRSA-N 1 0 362.470 3.688 20 5 FHBDRO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C12CCCCC2 ZINC001167539102 935151549 /nfs/dbraw/zinc/15/15/49/935151549.db2.gz IUHPBQRTNYQEAQ-IPMKNSEASA-N 1 0 362.470 3.688 20 5 FHBDRO COc1ccc([C@H](CNc2cccc(F)c2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000072027277 935225701 /nfs/dbraw/zinc/22/57/01/935225701.db2.gz QKOTUKLFLTTXKM-SFHVURJKSA-N 1 0 359.401 3.992 20 5 FHBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000472161431 935247454 /nfs/dbraw/zinc/24/74/54/935247454.db2.gz VWZIZCGIEABNCV-KZSQQDEKSA-N 1 0 360.385 3.943 20 5 FHBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccco1 ZINC000582201301 935396275 /nfs/dbraw/zinc/39/62/75/935396275.db2.gz NNQUBAWLGJRXMD-IAQYHMDHSA-N 1 0 365.817 3.700 20 5 FHBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000540454021 935462470 /nfs/dbraw/zinc/46/24/70/935462470.db2.gz KIKNGCSOFCGMDS-ZDUSSCGKSA-N 1 0 353.488 3.555 20 5 FHBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000582320445 935517277 /nfs/dbraw/zinc/51/72/77/935517277.db2.gz CWTUXEVHWYMWJV-YOEHRIQHSA-N 1 0 373.453 3.711 20 5 FHBDRO C[C@H](c1noc(-c2ccccc2)n1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511121879 935690903 /nfs/dbraw/zinc/69/09/03/935690903.db2.gz FMRPPBVAKDASEN-CQSZACIVSA-N 1 0 352.394 3.880 20 5 FHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000511123314 935699188 /nfs/dbraw/zinc/69/91/88/935699188.db2.gz IINIVMLHUWCBAO-NRFANRHFSA-N 1 0 364.445 3.826 20 5 FHBDRO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[S@](=O)C1 ZINC000277599694 935704083 /nfs/dbraw/zinc/70/40/83/935704083.db2.gz VNUNYYQFMIYSFM-OZAJXLCCSA-N 1 0 364.492 3.524 20 5 FHBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)Cc3ccccc3[N+](=O)[O-])c2C1 ZINC000158317046 935713784 /nfs/dbraw/zinc/71/37/84/935713784.db2.gz GQIUKEDKGJNXKK-UHFFFAOYSA-N 1 0 353.422 3.748 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000127714893 935753725 /nfs/dbraw/zinc/75/37/25/935753725.db2.gz KXNKRVJOFVGOLZ-CQSZACIVSA-N 1 0 362.474 3.845 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000479118378 935797451 /nfs/dbraw/zinc/79/74/51/935797451.db2.gz DRYXZFFKORLQGB-QGZVFWFLSA-N 1 0 353.422 3.549 20 5 FHBDRO C[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C[NH+]1CCCC1 ZINC000277671522 935806754 /nfs/dbraw/zinc/80/67/54/935806754.db2.gz DSHNMKLTPSZMFV-HNNXBMFYSA-N 1 0 363.461 3.555 20 5 FHBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000511152104 935807825 /nfs/dbraw/zinc/80/78/25/935807825.db2.gz QMIZRJPQELQDGS-UHFFFAOYSA-N 1 0 355.438 3.675 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000479189710 935816456 /nfs/dbraw/zinc/81/64/56/935816456.db2.gz GJNALCJOZXVRAL-MRXNPFEDSA-N 1 0 367.449 3.899 20 5 FHBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000479909883 935916689 /nfs/dbraw/zinc/91/66/89/935916689.db2.gz JVGZWCXWEZWVIO-AWEZNQCLSA-N 1 0 351.476 3.676 20 5 FHBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H](O)Cc1ccc3ccccc3c1)C2 ZINC000548751925 935955595 /nfs/dbraw/zinc/95/55/95/935955595.db2.gz HHJUPVKKCZPEOQ-HXUWFJFHSA-N 1 0 362.429 3.710 20 5 FHBDRO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000582702767 935964290 /nfs/dbraw/zinc/96/42/90/935964290.db2.gz KCWNVYONUYRRQO-MRXNPFEDSA-N 1 0 369.465 3.857 20 5 FHBDRO CC(C)OC1CCC([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000611560883 935989146 /nfs/dbraw/zinc/98/91/46/935989146.db2.gz VZSSKCCJXWIQJY-NKELODKYSA-N 1 0 372.469 3.744 20 5 FHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611709351 936033520 /nfs/dbraw/zinc/03/35/20/936033520.db2.gz PLNJUMQHRJNUBS-GDBMZVCRSA-N 1 0 363.421 3.785 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000194495713 936078379 /nfs/dbraw/zinc/07/83/79/936078379.db2.gz QLLDPPKEKZZREK-GOSISDBHSA-N 1 0 367.449 3.688 20 5 FHBDRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178654832 936087145 /nfs/dbraw/zinc/08/71/45/936087145.db2.gz MPSVTKPARMDJNP-LRDDRELGSA-N 1 0 359.813 3.704 20 5 FHBDRO Cc1nc(CN2CCC(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)CC2)oc1C ZINC000178655559 936087312 /nfs/dbraw/zinc/08/73/12/936087312.db2.gz AAUODVOYOVWCDH-HNNXBMFYSA-N 1 0 372.469 3.762 20 5 FHBDRO Cc1ccncc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611939656 936096574 /nfs/dbraw/zinc/09/65/74/936096574.db2.gz SQRCFSGVDZQIPE-NWDGAFQWSA-N 1 0 362.817 3.629 20 5 FHBDRO Cc1nccn1CCCCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000078336105 936112023 /nfs/dbraw/zinc/11/20/23/936112023.db2.gz NADNBLPFMANOCI-UHFFFAOYSA-N 1 0 353.220 3.755 20 5 FHBDRO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178679321 936168891 /nfs/dbraw/zinc/16/88/91/936168891.db2.gz HYJCQCYHSHJUEG-LSDHHAIUSA-N 1 0 371.437 3.898 20 5 FHBDRO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178684867 936201254 /nfs/dbraw/zinc/20/12/54/936201254.db2.gz WKQANJOXXCHFPD-UONOGXRCSA-N 1 0 369.421 3.784 20 5 FHBDRO CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178688533 936210619 /nfs/dbraw/zinc/21/06/19/936210619.db2.gz WDFCCNBAHCZIPT-HUUCEWRRSA-N 1 0 371.437 3.980 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000178689207 936211172 /nfs/dbraw/zinc/21/11/72/936211172.db2.gz CWTKBNPIYPNQBJ-UONOGXRCSA-N 1 0 373.478 3.589 20 5 FHBDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3ccccc3[N+](=O)[O-])C2)s1 ZINC000582931546 936302735 /nfs/dbraw/zinc/30/27/35/936302735.db2.gz YIPHLEAVGAHIED-MRXNPFEDSA-N 1 0 359.495 3.919 20 5 FHBDRO CN(Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001167640474 936308319 /nfs/dbraw/zinc/30/83/19/936308319.db2.gz BOQWZXSGTYJOEZ-IBGZPJMESA-N 1 0 357.429 3.830 20 5 FHBDRO Cc1cc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1OCC[NH+](C)C ZINC000583484947 938273231 /nfs/dbraw/zinc/27/32/31/938273231.db2.gz KYMFMJMABLGBQN-HNNXBMFYSA-N 1 0 371.437 3.586 20 5 FHBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000278278857 938276535 /nfs/dbraw/zinc/27/65/35/938276535.db2.gz YVHRHCJKYLQXHC-HNNXBMFYSA-N 1 0 363.461 3.650 20 5 FHBDRO O=[N+]([O-])c1ccc(C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)c(Cl)c1 ZINC000611774741 938284857 /nfs/dbraw/zinc/28/48/57/938284857.db2.gz UUBCEFBWWIULDE-HOTGVXAUSA-N 1 0 357.841 3.816 20 5 FHBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000052467186 938322684 /nfs/dbraw/zinc/32/26/84/938322684.db2.gz XSFWNTDUSKLOSI-UHFFFAOYSA-N 1 0 374.372 3.719 20 5 FHBDRO CC(C)n1ccc(C[C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000583657559 938346212 /nfs/dbraw/zinc/34/62/12/938346212.db2.gz RWVRABHFHZDYMK-CQSZACIVSA-N 1 0 355.442 3.617 20 5 FHBDRO C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458638185 938359528 /nfs/dbraw/zinc/35/95/28/938359528.db2.gz SVNRFKGNYGMUOA-YQQAZPJKSA-N 1 0 374.485 3.608 20 5 FHBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)CC(=O)N2C ZINC000278397634 938385907 /nfs/dbraw/zinc/38/59/07/938385907.db2.gz FKZLFHYFVNJVLB-DJJJIMSYSA-N 1 0 365.433 3.842 20 5 FHBDRO Cc1ccc(C)n1C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000507380248 945177531 /nfs/dbraw/zinc/17/75/31/945177531.db2.gz PFZJWGFSWSRMNC-UHFFFAOYSA-N 1 0 370.453 3.679 20 5 FHBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000472308466 938491103 /nfs/dbraw/zinc/49/11/03/938491103.db2.gz AABVJPZXPLEQOH-LZLYRXPVSA-N 1 0 367.449 3.875 20 5 FHBDRO COC(=O)C(C)(C)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000611797100 938518676 /nfs/dbraw/zinc/51/86/76/938518676.db2.gz KBBHKUADEREBEY-ZDUSSCGKSA-N 1 0 354.834 3.659 20 5 FHBDRO CC[NH+]1CCC(CCN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000565089515 938528222 /nfs/dbraw/zinc/52/82/22/938528222.db2.gz RRZCHXDMWMMZQH-MRXNPFEDSA-N 1 0 359.392 3.910 20 5 FHBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000584193529 938634809 /nfs/dbraw/zinc/63/48/09/938634809.db2.gz UHABCNWCTFDCIV-QGZVFWFLSA-N 1 0 357.458 3.677 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278703102 938670298 /nfs/dbraw/zinc/67/02/98/938670298.db2.gz JSPMZFFHTMREAY-LBPRGKRZSA-N 1 0 359.348 3.506 20 5 FHBDRO O=C(CC[NH2+][C@H]1CCCOc2ccc(F)cc21)Nc1ccccc1[N+](=O)[O-] ZINC000548825411 938712434 /nfs/dbraw/zinc/71/24/34/938712434.db2.gz ALRCEKHSUSAJEZ-HNNXBMFYSA-N 1 0 373.384 3.566 20 5 FHBDRO O=C(CC[NH2+][C@H]1CCSc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000548826109 938824626 /nfs/dbraw/zinc/82/46/26/938824626.db2.gz QSUXHYORBUEHAJ-AWEZNQCLSA-N 1 0 357.435 3.750 20 5 FHBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000431550392 938865098 /nfs/dbraw/zinc/86/50/98/938865098.db2.gz MEJYJCDOMWSTPV-XJKSGUPXSA-N 1 0 367.877 3.879 20 5 FHBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000431567491 938976124 /nfs/dbraw/zinc/97/61/24/938976124.db2.gz VMNCYWUCSWLXFF-KDOFPFPSSA-N 1 0 372.469 3.707 20 5 FHBDRO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511294231 938991775 /nfs/dbraw/zinc/99/17/75/938991775.db2.gz QNCNZNKKYUVMKH-ZIAGYGMSSA-N 1 0 371.437 3.724 20 5 FHBDRO COCc1cccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000179224699 938994308 /nfs/dbraw/zinc/99/43/08/938994308.db2.gz CMRNTLYRKJAAIC-UHFFFAOYSA-N 1 0 356.422 3.785 20 5 FHBDRO COC[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000102418947 939017812 /nfs/dbraw/zinc/01/78/12/939017812.db2.gz OMVDMTBUUYEZMN-SNVBAGLBSA-N 1 0 369.215 3.742 20 5 FHBDRO COc1ccc(-c2ccc(CNC3CC[NH+](C4CC4)CC3)o2)c([N+](=O)[O-])c1 ZINC000102420454 939018597 /nfs/dbraw/zinc/01/85/97/939018597.db2.gz QBPZILPOYGARAG-UHFFFAOYSA-N 1 0 371.437 3.580 20 5 FHBDRO COc1cc(C[NH2+]C2(Cc3ccccc3)CCOCC2)c([N+](=O)[O-])cc1F ZINC000451946154 939058749 /nfs/dbraw/zinc/05/87/49/939058749.db2.gz YTBNWFRSFCRBEG-UHFFFAOYSA-N 1 0 374.412 3.624 20 5 FHBDRO COc1ccc(C)cc1[C@H](C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000102692010 939185063 /nfs/dbraw/zinc/18/50/63/939185063.db2.gz OPLJMLVYBWSGAW-AWEZNQCLSA-N 1 0 357.410 3.510 20 5 FHBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000188365545 939215809 /nfs/dbraw/zinc/21/58/09/939215809.db2.gz UZNLVPMILLHRPI-UHFFFAOYSA-N 1 0 367.409 3.565 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000438938864 945242655 /nfs/dbraw/zinc/24/26/55/945242655.db2.gz WSXQJZXSDVVEJX-UHFFFAOYSA-N 1 0 365.861 3.647 20 5 FHBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000507464970 945253441 /nfs/dbraw/zinc/25/34/41/945253441.db2.gz DBIDSOFITGYWFV-CYBMUJFWSA-N 1 0 359.426 3.581 20 5 FHBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)c1 ZINC000614236026 939902210 /nfs/dbraw/zinc/90/22/10/939902210.db2.gz WTSSTROLHSFMPJ-QGZVFWFLSA-N 1 0 350.422 3.857 20 5 FHBDRO Cc1noc(C2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)n1 ZINC000179718342 939926179 /nfs/dbraw/zinc/92/61/79/939926179.db2.gz UDBLDJORWIEITN-UHFFFAOYSA-N 1 0 368.393 3.926 20 5 FHBDRO Cc1noc([C@H]2CCC[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)n1 ZINC000179714302 939926306 /nfs/dbraw/zinc/92/63/06/939926306.db2.gz OAEQCLGVDWYSSI-HNNXBMFYSA-N 1 0 368.393 3.926 20 5 FHBDRO CCOc1ccccc1[C@@H](CC)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000179745176 939930133 /nfs/dbraw/zinc/93/01/33/939930133.db2.gz ZOXPCQHAGJCWNJ-GOSISDBHSA-N 1 0 371.437 3.697 20 5 FHBDRO CCC(CC)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000179786600 939934851 /nfs/dbraw/zinc/93/48/51/939934851.db2.gz HMRKMCYTDZDBLL-LJQANCHMSA-N 1 0 355.438 3.961 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000364436565 939941009 /nfs/dbraw/zinc/94/10/09/939941009.db2.gz YZXZWNYUCKDZCC-VLIAUNLRSA-N 1 0 351.406 3.560 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000162245707 940005995 /nfs/dbraw/zinc/00/59/95/940005995.db2.gz SQJNVXKSEJXRRO-INIZCTEOSA-N 1 0 354.454 3.613 20 5 FHBDRO CCOc1ccc(NC(=O)CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000411452464 940049179 /nfs/dbraw/zinc/04/91/79/940049179.db2.gz IOVGDPWFDLRGOY-CQSZACIVSA-N 1 0 357.410 3.673 20 5 FHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411491652 940053801 /nfs/dbraw/zinc/05/38/01/940053801.db2.gz BBBDGCZRIWHGSP-RNEXODBNSA-N 1 0 371.481 3.562 20 5 FHBDRO CC(C)(COCc1ccccc1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411664184 940086460 /nfs/dbraw/zinc/08/64/60/940086460.db2.gz BTDCGSVWNUMTLG-UHFFFAOYSA-N 1 0 371.437 3.508 20 5 FHBDRO CCOc1ccccc1NC(=O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000411775849 940116316 /nfs/dbraw/zinc/11/63/16/940116316.db2.gz YWFWTIIMHLNZFN-AWEZNQCLSA-N 1 0 357.410 3.673 20 5 FHBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000111056404 945305446 /nfs/dbraw/zinc/30/54/46/945305446.db2.gz IHVIDGXRJRGCOC-GJZGRUSLSA-N 1 0 363.458 3.736 20 5 FHBDRO Cn1nc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000612829279 940300277 /nfs/dbraw/zinc/30/02/77/940300277.db2.gz NCLAKCBLEDPUPS-YJBOKZPZSA-N 1 0 364.449 3.983 20 5 FHBDRO Cn1nc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000612829278 940300402 /nfs/dbraw/zinc/30/04/02/940300402.db2.gz NCLAKCBLEDPUPS-QAPCUYQASA-N 1 0 364.449 3.983 20 5 FHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCCN(c3ccccc3)C2)n1 ZINC000579913775 940416529 /nfs/dbraw/zinc/41/65/29/940416529.db2.gz HHSWJPMEUALHKQ-NZSAHSFTSA-N 1 0 369.469 3.534 20 5 FHBDRO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000580237750 940470359 /nfs/dbraw/zinc/47/03/59/940470359.db2.gz DLLWIMAQRDWFMS-KPKJPENVSA-N 1 0 354.332 3.503 20 5 FHBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000580751414 940484807 /nfs/dbraw/zinc/48/48/07/940484807.db2.gz ZCGSIPZMEGHLMQ-MRXNPFEDSA-N 1 0 369.465 3.857 20 5 FHBDRO C[C@H](C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000580758362 940485186 /nfs/dbraw/zinc/48/51/86/940485186.db2.gz YLYOTYULRDSNNO-ORAYPTAESA-N 1 0 353.422 3.886 20 5 FHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000580798238 940487598 /nfs/dbraw/zinc/48/75/98/940487598.db2.gz YSKDRWWMIIMHJG-YWZLYKJASA-N 1 0 358.413 3.722 20 5 FHBDRO O=C1O[C@@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CN1c1ccccc1 ZINC000177999518 940503444 /nfs/dbraw/zinc/50/34/44/940503444.db2.gz ARYCQGQHRROFKN-IBGZPJMESA-N 1 0 367.405 3.585 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000581962868 940635423 /nfs/dbraw/zinc/63/54/23/940635423.db2.gz BQMFMFZLYQEQPP-GOSISDBHSA-N 1 0 354.454 3.583 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2Cc3cccc(OC)c3C2)cc1[N+](=O)[O-] ZINC000414200173 940752308 /nfs/dbraw/zinc/75/23/08/940752308.db2.gz XISSTMLTSKYHQH-CJNGLKHVSA-N 1 0 356.422 3.820 20 5 FHBDRO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCC[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000414204256 940762063 /nfs/dbraw/zinc/76/20/63/940762063.db2.gz WCEBRCDYYYRQJF-NZSAHSFTSA-N 1 0 354.454 3.834 20 5 FHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cnccc1C(C)(C)C ZINC000414233146 940809518 /nfs/dbraw/zinc/80/95/18/940809518.db2.gz RBIBKIPFFAWSNZ-AWEZNQCLSA-N 1 0 370.453 3.794 20 5 FHBDRO COc1c(O)ccc(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)c1[N+](=O)[O-] ZINC000892583073 940847626 /nfs/dbraw/zinc/84/76/26/940847626.db2.gz SAXCQZUECSSUCI-JTQLQIEISA-N 1 0 368.336 3.761 20 5 FHBDRO C[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000414261522 940849075 /nfs/dbraw/zinc/84/90/75/940849075.db2.gz IECDJKPIXHWRTO-RISCZKNCSA-N 1 0 356.348 3.596 20 5 FHBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000452035446 940863770 /nfs/dbraw/zinc/86/37/70/940863770.db2.gz OKNVGCKARVPLAS-IAGOWNOFSA-N 1 0 359.426 3.730 20 5 FHBDRO C[C@@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000414274705 940883079 /nfs/dbraw/zinc/88/30/79/940883079.db2.gz VJAQKHXYVYFFSN-RISCZKNCSA-N 1 0 356.348 3.596 20 5 FHBDRO Cn1cccc1[C@@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000170906073 940903549 /nfs/dbraw/zinc/90/35/49/940903549.db2.gz WFVGEUWJDLGAGG-SFHVURJKSA-N 1 0 366.421 3.968 20 5 FHBDRO Cn1cc(CCC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cn1 ZINC000180400747 940999378 /nfs/dbraw/zinc/99/93/78/940999378.db2.gz SKSZOKBZAOFBLA-FQEVSTJZSA-N 1 0 350.422 3.640 20 5 FHBDRO CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180401148 940999443 /nfs/dbraw/zinc/99/94/43/940999443.db2.gz RULTWSQYIDIBOP-INIZCTEOSA-N 1 0 355.438 3.683 20 5 FHBDRO CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180393336 941003327 /nfs/dbraw/zinc/00/33/27/941003327.db2.gz QNVDRWPZZYSFBA-MAUKXSAKSA-N 1 0 358.438 3.809 20 5 FHBDRO COc1cc(C[NH2+][C@@H](c2cccs2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000452059954 941008558 /nfs/dbraw/zinc/00/85/58/941008558.db2.gz LJJQJEXTRGMFSW-KRWDZBQOSA-N 1 0 362.451 3.658 20 5 FHBDRO Cc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000180435100 941014356 /nfs/dbraw/zinc/01/43/56/941014356.db2.gz WEMMMNREEXUKJM-HOTGVXAUSA-N 1 0 355.438 3.740 20 5 FHBDRO C[C@H]([NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000180452779 941018315 /nfs/dbraw/zinc/01/83/15/941018315.db2.gz MZUUEJIZMSXRLF-PAXLWEDBSA-N 1 0 370.449 3.701 20 5 FHBDRO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccc(F)cc1F ZINC000472593759 941021569 /nfs/dbraw/zinc/02/15/69/941021569.db2.gz AQUAOVAAHMIPCW-DQYPLSBCSA-N 1 0 364.396 3.947 20 5 FHBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C2CCN(Cc3ccccn3)CC2)cc1 ZINC000414356546 941043259 /nfs/dbraw/zinc/04/32/59/941043259.db2.gz FBFQOLAJZTZNJV-UHFFFAOYSA-N 1 0 368.481 3.567 20 5 FHBDRO O=C(NCCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000180930578 941093559 /nfs/dbraw/zinc/09/35/59/941093559.db2.gz XSEBZYHOOQHNMC-HXUWFJFHSA-N 1 0 367.449 3.580 20 5 FHBDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000564323456 941096353 /nfs/dbraw/zinc/09/63/53/941096353.db2.gz KBOLMLNXFGHHMF-MRXNPFEDSA-N 1 0 371.437 3.593 20 5 FHBDRO CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1F ZINC000472611737 941096775 /nfs/dbraw/zinc/09/67/75/941096775.db2.gz WAWLOEXQLHCFEU-CVEARBPZSA-N 1 0 362.405 3.603 20 5 FHBDRO CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1F ZINC000472611746 941096862 /nfs/dbraw/zinc/09/68/62/941096862.db2.gz WAWLOEXQLHCFEU-HZPDHXFCSA-N 1 0 362.405 3.603 20 5 FHBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@@H]2CCN(c3ccccn3)C2)c2ccccc2)c1 ZINC000181012364 941102764 /nfs/dbraw/zinc/10/27/64/941102764.db2.gz CPMOOALNSODZQJ-KNQAVFIVSA-N 1 0 374.444 3.948 20 5 FHBDRO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H]1CCCC[C@@H]1O ZINC000181099129 941108748 /nfs/dbraw/zinc/10/87/48/941108748.db2.gz ZNJYXJVWLCGWMK-PBHICJAKSA-N 1 0 361.467 3.701 20 5 FHBDRO CCOc1cc(C)ccc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000472622702 941150064 /nfs/dbraw/zinc/15/00/64/941150064.db2.gz LWDCYVQFEUFXQL-DLBZAZTESA-N 1 0 358.442 3.772 20 5 FHBDRO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1(c2ccccc2)CC1 ZINC000189325097 941156267 /nfs/dbraw/zinc/15/62/67/941156267.db2.gz ODDAIRVHWCKHRC-UHFFFAOYSA-N 1 0 364.405 3.808 20 5 FHBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000189495795 941159258 /nfs/dbraw/zinc/15/92/58/941159258.db2.gz ABAMJKIRVDYPMH-HOCLYGCPSA-N 1 0 351.472 3.577 20 5 FHBDRO CC(C)CN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000189797120 941282477 /nfs/dbraw/zinc/28/24/77/941282477.db2.gz YGRRRVICTADFKM-UHFFFAOYSA-N 1 0 361.486 3.911 20 5 FHBDRO C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181455704 941288504 /nfs/dbraw/zinc/28/85/04/941288504.db2.gz IYPMSRBLOHOCFS-OLZOCXBDSA-N 1 0 365.861 3.631 20 5 FHBDRO CC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1occc1C ZINC000414555763 941378437 /nfs/dbraw/zinc/37/84/37/941378437.db2.gz XCWJCRAMZIKFEN-UHFFFAOYSA-N 1 0 354.410 3.919 20 5 FHBDRO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(O)c1 ZINC000181508340 941379163 /nfs/dbraw/zinc/37/91/63/941379163.db2.gz CZEQWFGIUJXMCG-CYBMUJFWSA-N 1 0 353.378 3.849 20 5 FHBDRO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(O)c1 ZINC000181508211 941379190 /nfs/dbraw/zinc/37/91/90/941379190.db2.gz CZEQWFGIUJXMCG-ZDUSSCGKSA-N 1 0 353.378 3.849 20 5 FHBDRO [NH3+][C@@H](CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000414889145 941501934 /nfs/dbraw/zinc/50/19/34/941501934.db2.gz KWHJNQQUHSZJRU-HNNXBMFYSA-N 1 0 361.829 3.867 20 5 FHBDRO C[C@H]1C[C@H](NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414951292 941524953 /nfs/dbraw/zinc/52/49/53/941524953.db2.gz POJUYLVUEZJMPL-DOTOQJQBSA-N 1 0 354.454 3.593 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3C[NH2+]CCC3(F)F)o2)c(Cl)c1 ZINC000414997298 941534254 /nfs/dbraw/zinc/53/42/54/941534254.db2.gz HLPVRNLRUHUBGD-HNNXBMFYSA-N 1 0 371.771 3.595 20 5 FHBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181536918 941536656 /nfs/dbraw/zinc/53/66/56/941536656.db2.gz PHMCFVRVJZPJOO-HUUCEWRRSA-N 1 0 371.437 3.714 20 5 FHBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)c1ccccc1 ZINC000181541492 941546875 /nfs/dbraw/zinc/54/68/75/941546875.db2.gz BVVOBLNNMWFPRZ-QWHCGFSZSA-N 1 0 361.829 3.969 20 5 FHBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415192839 941662084 /nfs/dbraw/zinc/66/20/84/941662084.db2.gz LGWOJPGYHMFPEK-FZKQIMNGSA-N 1 0 370.409 3.507 20 5 FHBDRO C[C@H](CCC[NH3+])NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415196196 941667192 /nfs/dbraw/zinc/66/71/92/941667192.db2.gz RDMJYTIXAITBGY-CYBMUJFWSA-N 1 0 358.398 3.636 20 5 FHBDRO CC(C)[C@@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCCCC1 ZINC000729307349 941713872 /nfs/dbraw/zinc/71/38/72/941713872.db2.gz OFLATIKGPRFBCN-KRWDZBQOSA-N 1 0 367.877 3.717 20 5 FHBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(c3c[nH]c4ncccc34)CC2)cc1 ZINC000120681232 941764676 /nfs/dbraw/zinc/76/46/76/941764676.db2.gz RTCXNFZRGPVZEU-UHFFFAOYSA-N 1 0 366.421 3.730 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCN(c3ccc(F)cc3F)CC2)cc1 ZINC000513212821 941783992 /nfs/dbraw/zinc/78/39/92/941783992.db2.gz QXDGBSVEGYGLHX-UHFFFAOYSA-N 1 0 361.392 3.674 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C)C[C@H]1c1ccccc1 ZINC000513233528 941790538 /nfs/dbraw/zinc/79/05/38/941790538.db2.gz YPHSHKNPZDKDCX-KDOFPFPSSA-N 1 0 353.422 3.925 20 5 FHBDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000513227927 941798059 /nfs/dbraw/zinc/79/80/59/941798059.db2.gz GCJYSBJXAKLWDX-QRWLVFNGSA-N 1 0 365.433 3.567 20 5 FHBDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000513227389 941798915 /nfs/dbraw/zinc/79/89/15/941798915.db2.gz BYBSRTRTCGJIOF-DNVCBOLYSA-N 1 0 353.422 3.641 20 5 FHBDRO COCc1ccccc1C=C(C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000513273177 941825094 /nfs/dbraw/zinc/82/50/94/941825094.db2.gz VDKCSTVASRHLKW-ZROIWOOFSA-N 1 0 366.421 3.811 20 5 FHBDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000513272576 941825146 /nfs/dbraw/zinc/82/51/46/941825146.db2.gz RKIDHVOLXQOYOJ-DNVCBOLYSA-N 1 0 365.433 3.567 20 5 FHBDRO CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412178649 941867099 /nfs/dbraw/zinc/86/70/99/941867099.db2.gz NIMJDGGKZPFJSO-VQTJNVASSA-N 1 0 373.497 3.573 20 5 FHBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000412216758 941925559 /nfs/dbraw/zinc/92/55/59/941925559.db2.gz KHKYRPPZYSNTAS-RBUKOAKNSA-N 1 0 353.422 3.707 20 5 FHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](Cc2ccccc2)CC2CCC2)c1 ZINC000513490042 941960536 /nfs/dbraw/zinc/96/05/36/941960536.db2.gz LCSWQBYMLXPBGO-HXUWFJFHSA-N 1 0 370.449 3.637 20 5 FHBDRO Cc1c(NC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000377772866 941981209 /nfs/dbraw/zinc/98/12/09/941981209.db2.gz QNLGXDZECLWOHJ-SUMWQHHRSA-N 1 0 374.466 3.779 20 5 FHBDRO Cc1c(NC(=O)CC[NH2+][C@H](Cc2ccccc2)C2CC2)cccc1[N+](=O)[O-] ZINC000181557001 941982972 /nfs/dbraw/zinc/98/29/72/941982972.db2.gz FWZZJFFNDJOXHV-LJQANCHMSA-N 1 0 367.449 3.843 20 5 FHBDRO Cc1ncc(CN2CC[C@@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)[C@@H](C)C2)s1 ZINC000377794220 941997270 /nfs/dbraw/zinc/99/72/70/941997270.db2.gz XWTAXXFNZONUCY-KBXCAEBGSA-N 1 0 374.510 3.668 20 5 FHBDRO Cc1c(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000101917040 942019985 /nfs/dbraw/zinc/01/99/85/942019985.db2.gz CXEDKRAWVSRPSS-UHFFFAOYSA-N 1 0 371.412 3.893 20 5 FHBDRO C[C@H](CCc1cccn1C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000122673749 942044621 /nfs/dbraw/zinc/04/46/21/942044621.db2.gz STFVEFZAAYSKOG-MRXNPFEDSA-N 1 0 356.470 3.513 20 5 FHBDRO CC[C@@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000181564497 942049065 /nfs/dbraw/zinc/04/90/65/942049065.db2.gz OSQWZGRHSBUICR-QGZVFWFLSA-N 1 0 352.394 3.928 20 5 FHBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[N@@H+]1CCCC[C@H]1C ZINC000549365743 942060365 /nfs/dbraw/zinc/06/03/65/942060365.db2.gz CCVFDRAJUWRFKD-VXGBXAGGSA-N 1 0 373.375 3.606 20 5 FHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501837479 942085486 /nfs/dbraw/zinc/08/54/86/942085486.db2.gz QKUUCAHPRGCJNR-GOSISDBHSA-N 1 0 354.410 3.553 20 5 FHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415880858 942106038 /nfs/dbraw/zinc/10/60/38/942106038.db2.gz HBQGZYWPMKPFRG-UHFFFAOYSA-N 1 0 368.437 3.683 20 5 FHBDRO CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000415908170 942136085 /nfs/dbraw/zinc/13/60/85/942136085.db2.gz OWEUUEBWQURDPS-AWEZNQCLSA-N 1 0 356.426 3.895 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000183185721 942223376 /nfs/dbraw/zinc/22/33/76/942223376.db2.gz MYOAQRMETKHPDQ-UHFFFAOYSA-N 1 0 368.359 3.690 20 5 FHBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccccn3)CC2)c2cccnc21 ZINC000413083682 942271990 /nfs/dbraw/zinc/27/19/90/942271990.db2.gz SOSVAITXEAVCFY-UHFFFAOYSA-N 1 0 363.421 3.615 20 5 FHBDRO CC1(O)CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000179721627 942275653 /nfs/dbraw/zinc/27/56/53/942275653.db2.gz HFAFWYILEYNYSD-UHFFFAOYSA-N 1 0 350.802 3.855 20 5 FHBDRO C[NH+](C)CCOc1ccccc1CNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000413091321 942283353 /nfs/dbraw/zinc/28/33/53/942283353.db2.gz HWVHKYHINHJOGN-UHFFFAOYSA-N 1 0 366.421 3.696 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000420990150 942293218 /nfs/dbraw/zinc/29/32/18/942293218.db2.gz DQCZQVCLWHKAOS-INIZCTEOSA-N 1 0 363.364 3.828 20 5 FHBDRO O=C(CC[N@H+](Cc1ccco1)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000501116068 942316439 /nfs/dbraw/zinc/31/64/39/942316439.db2.gz IKTWUBDTYUVBFP-UHFFFAOYSA-N 1 0 357.410 3.961 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000481090153 942323536 /nfs/dbraw/zinc/32/35/36/942323536.db2.gz JEMXGZXPZNUMHG-KCQAQPDRSA-N 1 0 363.458 3.735 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000481090279 942324008 /nfs/dbraw/zinc/32/40/08/942324008.db2.gz JVORJTHQALSUBE-HIFRSBDPSA-N 1 0 363.458 3.736 20 5 FHBDRO CN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000416104474 942349607 /nfs/dbraw/zinc/34/96/07/942349607.db2.gz JUWOHMGTBUNNHL-UHFFFAOYSA-N 1 0 373.375 3.560 20 5 FHBDRO C[C@@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000413153667 942352219 /nfs/dbraw/zinc/35/22/19/942352219.db2.gz HUWJUKVEAKEMKX-ZBFHGGJFSA-N 1 0 358.417 3.618 20 5 FHBDRO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000502337852 942368184 /nfs/dbraw/zinc/36/81/84/942368184.db2.gz YKQNKCBUJSBXMQ-CJNGLKHVSA-N 1 0 364.396 3.833 20 5 FHBDRO Cc1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c(-c2cnn(C)c2)c1 ZINC000549401502 942405920 /nfs/dbraw/zinc/40/59/20/942405920.db2.gz KADHRROFKOSJHL-UHFFFAOYSA-N 1 0 362.433 3.862 20 5 FHBDRO COc1cc(C)c(C[C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000502411425 942415876 /nfs/dbraw/zinc/41/58/76/942415876.db2.gz ABSGUZXXGWDAMC-OAHLLOKOSA-N 1 0 358.438 3.684 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1C ZINC001269735155 942445098 /nfs/dbraw/zinc/44/50/98/942445098.db2.gz VEQPAWBJGYQXCX-HNAYVOBHSA-N 1 0 355.438 3.633 20 5 FHBDRO CC(C)[N@@H+]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000505289575 942449735 /nfs/dbraw/zinc/44/97/35/942449735.db2.gz KDHWCVHZEJCJKJ-UHFFFAOYSA-N 1 0 360.483 3.634 20 5 FHBDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000421362923 942516325 /nfs/dbraw/zinc/51/63/25/942516325.db2.gz OJDUGCIMDHAVNZ-CHWSQXEVSA-N 1 0 364.829 3.959 20 5 FHBDRO COc1ccc(C[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000104661791 942565833 /nfs/dbraw/zinc/56/58/33/942565833.db2.gz QQQIMLFLIKKPEI-UHFFFAOYSA-N 1 0 367.405 3.933 20 5 FHBDRO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c(OCC[NH+](C)C)c1 ZINC000421471611 942590358 /nfs/dbraw/zinc/59/03/58/942590358.db2.gz JMCGUXTUWPDBHN-UHFFFAOYSA-N 1 0 371.437 3.713 20 5 FHBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000420281673 942602575 /nfs/dbraw/zinc/60/25/75/942602575.db2.gz MHWGRTYOXUEADP-XJKSGUPXSA-N 1 0 374.268 3.624 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@@H]([NH+]4CCCCC4)C3)cs2)c1 ZINC000513750362 942619519 /nfs/dbraw/zinc/61/95/19/942619519.db2.gz GZOKYXJESNXALC-GOSISDBHSA-N 1 0 372.494 3.779 20 5 FHBDRO Cc1ccc([C@H](CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000513955005 942633652 /nfs/dbraw/zinc/63/36/52/942633652.db2.gz RTRKVGYYDGYRPJ-KRWDZBQOSA-N 1 0 372.425 3.763 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)c1 ZINC000425077569 942650132 /nfs/dbraw/zinc/65/01/32/942650132.db2.gz IPBWUIXYUNNMMJ-UHFFFAOYSA-N 1 0 374.466 3.769 20 5 FHBDRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3csc([N+](=O)[O-])c3)sc2C1 ZINC000425079535 942650899 /nfs/dbraw/zinc/65/08/99/942650899.db2.gz LYXHYRCZMARDHT-UHFFFAOYSA-N 1 0 366.468 3.522 20 5 FHBDRO CSc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2F)[NH+](C)C)cc1 ZINC000413330522 942667792 /nfs/dbraw/zinc/66/77/92/942667792.db2.gz OYXAJPZIUVLUEE-OAHLLOKOSA-N 1 0 350.419 3.566 20 5 FHBDRO Cc1ccc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000541389612 942697588 /nfs/dbraw/zinc/69/75/88/942697588.db2.gz RNWMDVFYPRLOSL-RDJZCZTQSA-N 1 0 353.422 3.720 20 5 FHBDRO Cc1cc(N2CCC([NH2+]CCOc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000514173028 942799193 /nfs/dbraw/zinc/79/91/93/942799193.db2.gz TVSDWIYZDUCMET-UHFFFAOYSA-N 1 0 355.438 3.541 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(NC[C@H]3CCC[N@H+](Cc4ccccc4)C3)nc2c1 ZINC000312233389 942893555 /nfs/dbraw/zinc/89/35/55/942893555.db2.gz AWBUBIVXIJWJBN-MRXNPFEDSA-N 1 0 365.437 3.795 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3CCCCN3C3CC3)o2)c1 ZINC000434788542 942967919 /nfs/dbraw/zinc/96/79/19/942967919.db2.gz VARQTFPKNVUHNA-SFHVURJKSA-N 1 0 355.438 3.961 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCCCN2C2CC2)o1 ZINC000434789679 942968752 /nfs/dbraw/zinc/96/87/52/942968752.db2.gz ZJYYXTYCXNYZJO-INIZCTEOSA-N 1 0 355.438 3.961 20 5 FHBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000505559554 943029576 /nfs/dbraw/zinc/02/95/76/943029576.db2.gz LGFLHXOIDRKPHO-GOSISDBHSA-N 1 0 356.422 3.655 20 5 FHBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000434895769 943033935 /nfs/dbraw/zinc/03/39/35/943033935.db2.gz NBGOYQORBFCDCA-UXLLHSPISA-N 1 0 353.422 3.800 20 5 FHBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000425246174 943050440 /nfs/dbraw/zinc/05/04/40/943050440.db2.gz XWHAJVFLXCXBQY-CQSZACIVSA-N 1 0 367.453 3.595 20 5 FHBDRO COCC[N@H+](C)CC[C@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000505577197 943068814 /nfs/dbraw/zinc/06/88/14/943068814.db2.gz RPWXIPMJHFVYJN-KRWDZBQOSA-N 1 0 361.417 3.855 20 5 FHBDRO Cc1c(NC(=O)N2CCN(Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000416740639 943074063 /nfs/dbraw/zinc/07/40/63/943074063.db2.gz UVCPCVIXGFLEEZ-OAHLLOKOSA-N 1 0 368.437 3.641 20 5 FHBDRO C[C@H]1CN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000414660871 943138435 /nfs/dbraw/zinc/13/84/35/943138435.db2.gz ORDJCCRZUIDIRE-MAUKXSAKSA-N 1 0 354.454 3.532 20 5 FHBDRO C[C@]1(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CCC[NH2+]C1 ZINC000435071462 943142642 /nfs/dbraw/zinc/14/26/42/943142642.db2.gz ZOYUNCVQGOTANH-IBGZPJMESA-N 1 0 355.394 3.715 20 5 FHBDRO C[C@H]1C[C@@]1([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000503380228 943156414 /nfs/dbraw/zinc/15/64/14/943156414.db2.gz VUJKMJLYFHCPLX-SGTLLEGYSA-N 1 0 359.813 3.712 20 5 FHBDRO C[C@H](COCC(F)(F)F)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513787170 943158190 /nfs/dbraw/zinc/15/81/90/943158190.db2.gz USSDQYMYUPZEGJ-NFAWXSAZSA-N 1 0 360.376 3.863 20 5 FHBDRO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H](c1ccccc1)[NH+](C)C ZINC000505607619 943165972 /nfs/dbraw/zinc/16/59/72/943165972.db2.gz MNBRATZENQBPSM-BFUOFWGJSA-N 1 0 367.405 3.762 20 5 FHBDRO O=[N+]([O-])c1cccc2c1ccn2C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000514635228 943167018 /nfs/dbraw/zinc/16/70/18/943167018.db2.gz NENOWJUAICTHQJ-SFHVURJKSA-N 1 0 365.433 3.841 20 5 FHBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000503569102 943266331 /nfs/dbraw/zinc/26/63/31/943266331.db2.gz NSBUTUNASJVRFQ-UHFFFAOYSA-N 1 0 354.248 3.644 20 5 FHBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000422795586 943286374 /nfs/dbraw/zinc/28/63/74/943286374.db2.gz HTBFUDRPNHZGNH-HNNXBMFYSA-N 1 0 361.829 3.801 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000545932527 943317542 /nfs/dbraw/zinc/31/75/42/943317542.db2.gz VVDGIQJKCCIIKG-MLGOLLRUSA-N 1 0 360.376 3.990 20 5 FHBDRO CC[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000120269041 943345417 /nfs/dbraw/zinc/34/54/17/943345417.db2.gz HLDLQGVNKNJBAN-KRWDZBQOSA-N 1 0 361.829 3.952 20 5 FHBDRO CN(Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000435377942 943367557 /nfs/dbraw/zinc/36/75/57/943367557.db2.gz BKHUALDOLLNPCA-UHFFFAOYSA-N 1 0 359.401 3.710 20 5 FHBDRO [NH3+]C[C@@H]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000435383526 943370998 /nfs/dbraw/zinc/37/09/98/943370998.db2.gz HQQFLNIUDOHFRK-AWEZNQCLSA-N 1 0 361.829 3.821 20 5 FHBDRO O=[N+]([O-])c1cc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000423085694 943388717 /nfs/dbraw/zinc/38/87/17/943388717.db2.gz KHYJHCVSFRKRJS-OWCLPIDISA-N 1 0 357.376 3.624 20 5 FHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2cccc3[nH]ccc32)n1 ZINC000503944472 943429250 /nfs/dbraw/zinc/42/92/50/943429250.db2.gz CUSMZSJFCFCMPC-MSOLQXFVSA-N 1 0 353.426 3.589 20 5 FHBDRO COc1c(C)cc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C ZINC000110288574 943453277 /nfs/dbraw/zinc/45/32/77/943453277.db2.gz NVRDWDKJWIHPIQ-UHFFFAOYSA-N 1 0 371.437 3.681 20 5 FHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000515063943 943482509 /nfs/dbraw/zinc/48/25/09/943482509.db2.gz STVJZEVRCWEXTO-ZDUSSCGKSA-N 1 0 365.499 3.509 20 5 FHBDRO Cc1cc(N2CCC([NH2+][C@H]3CCCCc4ccc([N+](=O)[O-])cc43)CC2)n[nH]1 ZINC000417332866 943521967 /nfs/dbraw/zinc/52/19/67/943521967.db2.gz OZMHCGGAMRDHSR-IBGZPJMESA-N 1 0 369.469 3.652 20 5 FHBDRO O=[N+]([O-])c1ccccc1CN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435684587 943545391 /nfs/dbraw/zinc/54/53/91/943545391.db2.gz VUFKOBBSDOCVSC-GOSISDBHSA-N 1 0 357.479 3.801 20 5 FHBDRO Cc1cccc2c(CC[NH2+]CCC(=O)Nc3ccccc3[N+](=O)[O-])c[nH]c21 ZINC000584834608 943724924 /nfs/dbraw/zinc/72/49/24/943724924.db2.gz SPBOCHCEYHFYTG-UHFFFAOYSA-N 1 0 366.421 3.545 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)[nH]1 ZINC000504792318 943797795 /nfs/dbraw/zinc/79/77/95/943797795.db2.gz BPMXFSVWEQCHBH-UHFFFAOYSA-N 1 0 353.382 3.626 20 5 FHBDRO C[C@@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000424336162 943851399 /nfs/dbraw/zinc/85/13/99/943851399.db2.gz YLZNBSKWNXHXDE-ZIAGYGMSSA-N 1 0 373.478 3.842 20 5 FHBDRO Cc1ccc(-c2ncc[nH]2)cc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000435918058 943854446 /nfs/dbraw/zinc/85/44/46/943854446.db2.gz SYJHVOQNTZPUAE-UHFFFAOYSA-N 1 0 366.377 3.619 20 5 FHBDRO Cn1ccnc1[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000424348393 943856057 /nfs/dbraw/zinc/85/60/57/943856057.db2.gz KSNPGLVPJSRGDQ-YQVWRLOYSA-N 1 0 354.454 3.976 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(NC(N)=O)cc1 ZINC000504900215 943876842 /nfs/dbraw/zinc/87/68/42/943876842.db2.gz UBDCFCBPMDLXNO-CQSZACIVSA-N 1 0 374.466 3.746 20 5 FHBDRO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000425423374 943884637 /nfs/dbraw/zinc/88/46/37/943884637.db2.gz QQCQCUVJTVXDCQ-ZDUSSCGKSA-N 1 0 369.259 3.606 20 5 FHBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000417822160 943896031 /nfs/dbraw/zinc/89/60/31/943896031.db2.gz DZMGQTDSYLALBZ-RTBURBONSA-N 1 0 370.453 3.608 20 5 FHBDRO Cc1cc(C[NH3+])cc(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000424421257 943898965 /nfs/dbraw/zinc/89/89/65/943898965.db2.gz YABFDCJKKIZZEU-QGZVFWFLSA-N 1 0 368.437 3.773 20 5 FHBDRO Cc1ccc([C@H](C)NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417855286 943905620 /nfs/dbraw/zinc/90/56/20/943905620.db2.gz QWYNWCWKXZODNB-SZMVWBNQSA-N 1 0 374.485 3.528 20 5 FHBDRO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000437637341 944004437 /nfs/dbraw/zinc/00/44/37/944004437.db2.gz VHJVWOCNTPETQW-DNVCBOLYSA-N 1 0 374.485 3.752 20 5 FHBDRO O=C(CC[N@@H+]1CCC[C@H](Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500103008 944099495 /nfs/dbraw/zinc/09/94/95/944099495.db2.gz GXWGAZWDWDAGGS-GOSISDBHSA-N 1 0 367.449 3.878 20 5 FHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000436291931 944179093 /nfs/dbraw/zinc/17/90/93/944179093.db2.gz KVUNAKXZVLQNQF-DZKIICNBSA-N 1 0 371.412 3.987 20 5 FHBDRO C[NH+](C)[C@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000436309383 944205568 /nfs/dbraw/zinc/20/55/68/944205568.db2.gz OWFFDSHWUWAHBQ-CYBMUJFWSA-N 1 0 372.322 3.863 20 5 FHBDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1(C)C ZINC000436390404 944259554 /nfs/dbraw/zinc/25/95/54/944259554.db2.gz OZEMNVZCGWTYTO-UYAOXDASSA-N 1 0 374.437 3.511 20 5 FHBDRO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000515847025 944271087 /nfs/dbraw/zinc/27/10/87/944271087.db2.gz RMQUJRSQGJRILQ-QAPCUYQASA-N 1 0 364.490 3.712 20 5 FHBDRO COc1cc(CN(Cc2cccc(O)c2)CC2CC2)c([N+](=O)[O-])cc1F ZINC000184215038 944277890 /nfs/dbraw/zinc/27/78/90/944277890.db2.gz ZLMNYBNFUKFBCI-UHFFFAOYSA-N 1 0 360.385 3.860 20 5 FHBDRO COc1cc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1[N+](=O)[O-] ZINC000517410755 944279390 /nfs/dbraw/zinc/27/93/90/944279390.db2.gz XIQRVIOBRRPNBF-NRFANRHFSA-N 1 0 367.449 3.706 20 5 FHBDRO COc1cc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])cc1F ZINC000184231449 944288543 /nfs/dbraw/zinc/28/85/43/944288543.db2.gz ULYCEXXUGYGBHR-GOSISDBHSA-N 1 0 374.412 3.614 20 5 FHBDRO CSc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000500226118 944291933 /nfs/dbraw/zinc/29/19/33/944291933.db2.gz OXQWRXOYEJSNHP-QWHCGFSZSA-N 1 0 359.451 3.995 20 5 FHBDRO CCO[C@H](CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000072741588 944320281 /nfs/dbraw/zinc/32/02/81/944320281.db2.gz AFLIQUPBDNMUEL-GOSISDBHSA-N 1 0 360.458 3.536 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)Cc3ccc(F)cc3)o2)cc1 ZINC000500241403 944325991 /nfs/dbraw/zinc/32/59/91/944325991.db2.gz HLXJOHILTFKWHY-QGZVFWFLSA-N 1 0 370.380 3.687 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cnc(-c4ccccc4)nc3)c2c1 ZINC000519561759 944328336 /nfs/dbraw/zinc/32/83/36/944328336.db2.gz UKRAVFWSSVSAHD-UHFFFAOYSA-N 1 0 373.416 3.865 20 5 FHBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000126508267 944334522 /nfs/dbraw/zinc/33/45/22/944334522.db2.gz DEZDBAYOTVWJPA-KBPBESRZSA-N 1 0 367.877 3.736 20 5 FHBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000126508022 944334674 /nfs/dbraw/zinc/33/46/74/944334674.db2.gz DEZDBAYOTVWJPA-OKILXGFUSA-N 1 0 367.877 3.736 20 5 FHBDRO Cc1cc(NCc2ccc(OCC[NH+]3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000518400665 944340605 /nfs/dbraw/zinc/34/06/05/944340605.db2.gz KKYCBSXBGZWYMF-UHFFFAOYSA-N 1 0 355.438 3.990 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000550208985 944425594 /nfs/dbraw/zinc/42/55/94/944425594.db2.gz DWNSGKFOVYBJPZ-HNNXBMFYSA-N 1 0 371.412 3.860 20 5 FHBDRO CCC[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000159124769 944433986 /nfs/dbraw/zinc/43/39/86/944433986.db2.gz XSULGLWZCZMWGG-VQTJNVASSA-N 1 0 369.465 3.725 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000123846839 944444689 /nfs/dbraw/zinc/44/46/89/944444689.db2.gz VHOIUGLSQDCHDC-RDJZCZTQSA-N 1 0 359.470 3.735 20 5 FHBDRO Cc1c(C[NH2+]C[C@@H](O)COc2ccccc2C(C)C)cccc1[N+](=O)[O-] ZINC000516049941 944453087 /nfs/dbraw/zinc/45/30/87/944453087.db2.gz FIXPDVWXSQPYDM-QGZVFWFLSA-N 1 0 358.438 3.556 20 5 FHBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000473782606 944456109 /nfs/dbraw/zinc/45/61/09/944456109.db2.gz CKBMCFMLGWLGJV-UHFFFAOYSA-N 1 0 370.453 3.807 20 5 FHBDRO CC[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000439258997 944475650 /nfs/dbraw/zinc/47/56/50/944475650.db2.gz MCGVFPIJCOKFFV-HXUWFJFHSA-N 1 0 358.438 3.767 20 5 FHBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000517675909 944504097 /nfs/dbraw/zinc/50/40/97/944504097.db2.gz LGCNHLJQMDCXLP-AWEZNQCLSA-N 1 0 372.469 3.707 20 5 FHBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000517675910 944504117 /nfs/dbraw/zinc/50/41/17/944504117.db2.gz LGCNHLJQMDCXLP-CQSZACIVSA-N 1 0 372.469 3.707 20 5 FHBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)cc1[N+](=O)[O-] ZINC000550227850 944513835 /nfs/dbraw/zinc/51/38/35/944513835.db2.gz VBDNLYRPVUIDBY-CYBMUJFWSA-N 1 0 370.384 3.779 20 5 FHBDRO Cc1ccc(NC2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000366648767 944517732 /nfs/dbraw/zinc/51/77/32/944517732.db2.gz AUNKXXLBVYWXJT-HXUWFJFHSA-N 1 0 355.438 3.513 20 5 FHBDRO C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000439330337 944542860 /nfs/dbraw/zinc/54/28/60/944542860.db2.gz ZHLDDXRXZOTXOQ-QRQLOZEOSA-N 1 0 370.449 3.603 20 5 FHBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H](C)C1 ZINC000516190646 944579718 /nfs/dbraw/zinc/57/97/18/944579718.db2.gz BZIKNDVROHFMCM-PBFPGSCMSA-N 1 0 371.403 3.776 20 5 FHBDRO O=c1[nH]ccc2c1C[N@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000426371901 944582517 /nfs/dbraw/zinc/58/25/17/944582517.db2.gz NDUMNMASDNIZJG-UHFFFAOYSA-N 1 0 351.362 3.514 20 5 FHBDRO COc1ccc([C@@H]([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000184317093 944590910 /nfs/dbraw/zinc/59/09/10/944590910.db2.gz ZPVLLXUHNBLAHF-IBGZPJMESA-N 1 0 360.385 3.992 20 5 FHBDRO O=[N+]([O-])c1cc2c(ncnc2Nc2ccc(CC[NH+]3CCCC3)cc2)s1 ZINC000566696750 944623876 /nfs/dbraw/zinc/62/38/76/944623876.db2.gz VQFHDZSRHMOQDN-UHFFFAOYSA-N 1 0 369.450 3.981 20 5 FHBDRO C[C@@H](C[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000066854544 944634035 /nfs/dbraw/zinc/63/40/35/944634035.db2.gz CPCGKSFNBDOMDN-AWEZNQCLSA-N 1 0 352.394 3.880 20 5 FHBDRO COc1cccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CCC(O)CC2)c1 ZINC000102176362 944675127 /nfs/dbraw/zinc/67/51/27/944675127.db2.gz AZQYSVFZKAVMPD-UHFFFAOYSA-N 1 0 370.449 3.909 20 5 FHBDRO CSc1ccc([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000439478146 944679070 /nfs/dbraw/zinc/67/90/70/944679070.db2.gz LWESQOYCWGFVTE-CYBMUJFWSA-N 1 0 359.451 3.630 20 5 FHBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383074037 944707804 /nfs/dbraw/zinc/70/78/04/944707804.db2.gz ZQFIUFVMOZBAFT-QGZVFWFLSA-N 1 0 357.429 3.688 20 5 FHBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000054168006 944733884 /nfs/dbraw/zinc/73/38/84/944733884.db2.gz YULMUCKYGCCWFC-UHFFFAOYSA-N 1 0 367.449 3.553 20 5 FHBDRO CC[NH+](CC)CCCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000516376259 944777553 /nfs/dbraw/zinc/77/75/53/944777553.db2.gz XEKGISDKEDGFNN-UHFFFAOYSA-N 1 0 371.437 3.849 20 5 FHBDRO O=C(CC[NH2+]Cc1cc2c(s1)CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000518797708 944791547 /nfs/dbraw/zinc/79/15/47/944791547.db2.gz IUMRCLXDDPZRLE-UHFFFAOYSA-N 1 0 359.451 3.654 20 5 FHBDRO CC(C)(C)[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000506994012 944845609 /nfs/dbraw/zinc/84/56/09/944845609.db2.gz CKLXHWOIICWFCA-IEBWSBKVSA-N 1 0 358.438 3.712 20 5 FHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000507003129 944871344 /nfs/dbraw/zinc/87/13/44/944871344.db2.gz UBRNZYHMHGXENV-OCCSQVGLSA-N 1 0 357.439 3.551 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2Cc3ccccc3N(C)C2)cc1[N+](=O)[O-] ZINC000437079197 944996754 /nfs/dbraw/zinc/99/67/54/944996754.db2.gz PTBZKAGWRHSLSM-JKSUJKDBSA-N 1 0 369.465 3.953 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)Cc1ccccc1 ZINC000437106800 945028712 /nfs/dbraw/zinc/02/87/12/945028712.db2.gz XIEWUOUZZKRFFP-SJORKVTESA-N 1 0 360.479 3.659 20 5 FHBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000516597238 945058615 /nfs/dbraw/zinc/05/86/15/945058615.db2.gz ZHMJFUVXPOPTSC-QGZVFWFLSA-N 1 0 359.470 3.890 20 5 FHBDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000507706888 945479742 /nfs/dbraw/zinc/47/97/42/945479742.db2.gz ZXTWIPIRONIZAH-DOTOQJQBSA-N 1 0 355.438 3.565 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000107071802 945479988 /nfs/dbraw/zinc/47/99/88/945479988.db2.gz OYAGAJWLVGMTJW-GJZGRUSLSA-N 1 0 371.437 3.898 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](CO)c2cccnc2)s1 ZINC000519669432 945641636 /nfs/dbraw/zinc/64/16/36/945641636.db2.gz UTSIWXKELLLCCW-HNNXBMFYSA-N 1 0 369.446 3.584 20 5 FHBDRO Cc1ccc([C@H](CNC(=O)c2csc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000143074309 945677303 /nfs/dbraw/zinc/67/73/03/945677303.db2.gz ZFTZCAVYRPPXQL-INIZCTEOSA-N 1 0 359.451 3.532 20 5 FHBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000550075184 945724810 /nfs/dbraw/zinc/72/48/10/945724810.db2.gz QUURQRUUIWIOPO-OLZOCXBDSA-N 1 0 359.392 3.908 20 5 FHBDRO CC(=O)N1CC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c2ccccc21 ZINC000519833054 945795966 /nfs/dbraw/zinc/79/59/66/945795966.db2.gz KXJXTSSOECJHIQ-ROUUACIJSA-N 1 0 351.406 3.670 20 5 FHBDRO [NH3+]CCc1cn(-c2cc(Cl)ccc2/C=C/[N+](=O)[O-])c2ccc(O)cc12 ZINC001167988467 945845773 /nfs/dbraw/zinc/84/57/73/945845773.db2.gz YOEWAOKIWAJGNR-SOFGYWHQSA-N 1 0 357.797 3.738 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000444159032 946000771 /nfs/dbraw/zinc/00/07/71/946000771.db2.gz KMXLPSQTJXVPOV-UHFFFAOYSA-N 1 0 371.412 3.893 20 5 FHBDRO CSc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000186008199 946089611 /nfs/dbraw/zinc/08/96/11/946089611.db2.gz VKABVTMCTZXRSF-UHFFFAOYSA-N 1 0 373.478 3.521 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487354433 946096253 /nfs/dbraw/zinc/09/62/53/946096253.db2.gz MEHHIFSZBVSROT-WMZOPIPTSA-N 1 0 367.449 3.544 20 5 FHBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000045789960 946154370 /nfs/dbraw/zinc/15/43/70/946154370.db2.gz KRTQKPUXKGIFSJ-UHFFFAOYSA-N 1 0 356.426 3.757 20 5 FHBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248662216 946160889 /nfs/dbraw/zinc/16/08/89/946160889.db2.gz GLRKCLUCHWWECT-YOEHRIQHSA-N 1 0 357.458 3.585 20 5 FHBDRO C/C(=C/C(=O)NCCCC[N@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000785284475 946266868 /nfs/dbraw/zinc/26/68/68/946266868.db2.gz XKKLMSMGMBYLLQ-FUYCXPICSA-N 1 0 359.470 3.769 20 5 FHBDRO C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000186478813 946371103 /nfs/dbraw/zinc/37/11/03/946371103.db2.gz GLSLUZQNCUZFNL-SJCJKPOMSA-N 1 0 361.829 3.669 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@H](CO)CC3CCC3)o2)c([N+](=O)[O-])c1 ZINC000475497482 946438063 /nfs/dbraw/zinc/43/80/63/946438063.db2.gz UBBWCBXEICEPJO-AWEZNQCLSA-N 1 0 360.410 3.504 20 5 FHBDRO Cc1c(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000048053195 946484961 /nfs/dbraw/zinc/48/49/61/946484961.db2.gz NYXBEKRUYPTBJB-UHFFFAOYSA-N 1 0 374.416 3.638 20 5 FHBDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])c1 ZINC000441362466 946487983 /nfs/dbraw/zinc/48/79/83/946487983.db2.gz YUVHEYBRXZEBOF-SFHVURJKSA-N 1 0 355.438 3.877 20 5 FHBDRO C[N@H+](CCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000067509823 946515165 /nfs/dbraw/zinc/51/51/65/946515165.db2.gz GJVPILRRPUVKEW-UHFFFAOYSA-N 1 0 361.829 3.500 20 5 FHBDRO Cc1cc(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000487386682 946563696 /nfs/dbraw/zinc/56/36/96/946563696.db2.gz HDOGKKOBVISNMI-VQIMIIECSA-N 1 0 367.449 3.544 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]Cc3c(C)nn(C)c3C)o2)c([N+](=O)[O-])c1 ZINC000237430815 946570388 /nfs/dbraw/zinc/57/03/88/946570388.db2.gz ITLFCLICKJDSNT-UHFFFAOYSA-N 1 0 370.409 3.504 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186586538 946614955 /nfs/dbraw/zinc/61/49/55/946614955.db2.gz IXJNGKZZPYPWCQ-UHFFFAOYSA-N 1 0 358.413 3.612 20 5 FHBDRO Cc1ccc([C@H](CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[NH+](C)C)cc1 ZINC000475555155 946639620 /nfs/dbraw/zinc/63/96/20/946639620.db2.gz LCDKNOIGHGCDLF-IBGZPJMESA-N 1 0 370.453 3.944 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)CCc1ccccc1 ZINC000151950156 946669504 /nfs/dbraw/zinc/66/95/04/946669504.db2.gz XETYGPFERMVRHS-UHFFFAOYSA-N 1 0 355.438 3.843 20 5 FHBDRO Cc1ccc(CN[C@H](CO)c2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] ZINC000475566902 946679437 /nfs/dbraw/zinc/67/94/37/946679437.db2.gz JGHDJEFKGKIXQL-CQSZACIVSA-N 1 0 370.327 3.625 20 5 FHBDRO Cc1ccc(Cl)cc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000015992093 946688197 /nfs/dbraw/zinc/68/81/97/946688197.db2.gz UMLLENVYCBAJKV-UHFFFAOYSA-N 1 0 356.769 3.995 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000475573651 946704969 /nfs/dbraw/zinc/70/49/69/946704969.db2.gz SYTQSVYSYUQPOY-UHFFFAOYSA-N 1 0 370.453 3.637 20 5 FHBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475205694 946721430 /nfs/dbraw/zinc/72/14/30/946721430.db2.gz MJDLTUJGKFDFTN-NSHDSACASA-N 1 0 374.363 3.610 20 5 FHBDRO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)CCO2 ZINC000475290047 946829231 /nfs/dbraw/zinc/82/92/31/946829231.db2.gz DZDOLGIFHGLJRA-LIRRHRJNSA-N 1 0 374.462 3.703 20 5 FHBDRO CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475314304 946873839 /nfs/dbraw/zinc/87/38/39/946873839.db2.gz SSANQFAQMWUNFJ-QGZVFWFLSA-N 1 0 373.840 3.595 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C/CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000475336233 946902813 /nfs/dbraw/zinc/90/28/13/946902813.db2.gz UCSJJSDZQDZMEZ-YHWHNIOJSA-N 1 0 363.461 3.672 20 5 FHBDRO Cc1sc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000153982188 946927198 /nfs/dbraw/zinc/92/71/98/946927198.db2.gz MNMPXDCGDXTKSH-UHFFFAOYSA-N 1 0 365.499 3.693 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ncccc3O)o2)c(Cl)c1 ZINC000475354568 946932464 /nfs/dbraw/zinc/93/24/64/946932464.db2.gz HRAAYNILMTYODV-UHFFFAOYSA-N 1 0 359.769 3.899 20 5 FHBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H]1C ZINC000475361809 946954192 /nfs/dbraw/zinc/95/41/92/946954192.db2.gz KMUAUHQSUQNRBX-HIFRSBDPSA-N 1 0 374.462 3.954 20 5 FHBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000112918475 946992454 /nfs/dbraw/zinc/99/24/54/946992454.db2.gz QPDWBLPSRKKNAU-UHFFFAOYSA-N 1 0 372.469 3.660 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3Cc3ccc(F)cc3)nc2c1 ZINC000444595985 947020265 /nfs/dbraw/zinc/02/02/65/947020265.db2.gz KOFGXMQKHLAEAA-HNNXBMFYSA-N 1 0 354.385 3.817 20 5 FHBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000054260420 947039246 /nfs/dbraw/zinc/03/92/46/947039246.db2.gz HACZNQDBVXMMGN-CHWSQXEVSA-N 1 0 367.877 3.735 20 5 FHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOc2ccc(Br)cc2)cc1 ZINC000049596030 947088381 /nfs/dbraw/zinc/08/83/81/947088381.db2.gz SUKYDQMKZTVZLV-UHFFFAOYSA-N 1 0 351.200 3.526 20 5 FHBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CC2(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000444670278 947095528 /nfs/dbraw/zinc/09/55/28/947095528.db2.gz GKYJOTZBXOAXRL-MRXNPFEDSA-N 1 0 367.449 3.894 20 5 FHBDRO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCCC[C@@H]1C ZINC000444675378 947100032 /nfs/dbraw/zinc/10/00/32/947100032.db2.gz LXEPIGKOAFYVTH-GOEBONIOSA-N 1 0 361.442 3.793 20 5 FHBDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444681618 947105190 /nfs/dbraw/zinc/10/51/90/947105190.db2.gz VOPRYNICERFKFA-KRWDZBQOSA-N 1 0 356.401 3.967 20 5 FHBDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2C1 ZINC000184521812 947160316 /nfs/dbraw/zinc/16/03/16/947160316.db2.gz WQOJEWGUXFSGBB-XCLFUZPHSA-N 1 0 371.412 3.878 20 5 FHBDRO CC[NH+](CC)CCCC1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000544394340 947175782 /nfs/dbraw/zinc/17/57/82/947175782.db2.gz KMUOULZXMHACEY-UHFFFAOYSA-N 1 0 371.485 3.876 20 5 FHBDRO CC1CC[NH+](Cc2cccc(CNC(=O)c3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000523384414 947207395 /nfs/dbraw/zinc/20/73/95/947207395.db2.gz CNRINAZLZNAIEE-UHFFFAOYSA-N 1 0 367.449 3.757 20 5 FHBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000909612926 947368886 /nfs/dbraw/zinc/36/88/86/947368886.db2.gz QQEAKNKKWGQUIB-UHFFFAOYSA-N 1 0 366.421 3.558 20 5 FHBDRO CSc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000440614301 947389608 /nfs/dbraw/zinc/38/96/08/947389608.db2.gz NCNUEEFYABHNIB-STQMWFEESA-N 1 0 359.451 3.995 20 5 FHBDRO CC[NH+](CC)Cc1ccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000469938388 947417329 /nfs/dbraw/zinc/41/73/29/947417329.db2.gz JXVHZBHDVWGXTP-UHFFFAOYSA-N 1 0 370.453 3.512 20 5 FHBDRO COc1cccc(C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]2CCCO2)c1 ZINC000523701868 947528316 /nfs/dbraw/zinc/52/83/16/947528316.db2.gz WXILTCGYJUNOPE-OAQYLSRUSA-N 1 0 370.449 3.827 20 5 FHBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000072837533 947568802 /nfs/dbraw/zinc/56/88/02/947568802.db2.gz ATLOIUSFRUUKAD-GDBMZVCRSA-N 1 0 365.499 3.838 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCc1nc(-c3ccccc3)no1)CC2 ZINC000088606970 947585748 /nfs/dbraw/zinc/58/57/48/947585748.db2.gz HLYMTIQIAITLRO-UHFFFAOYSA-N 1 0 364.405 3.636 20 5 FHBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000843773365 947638415 /nfs/dbraw/zinc/63/84/15/947638415.db2.gz AOYVVDKOXUUKJV-CHWSQXEVSA-N 1 0 365.449 3.529 20 5 FHBDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000236791681 947897261 /nfs/dbraw/zinc/89/72/61/947897261.db2.gz DUZGXFJMAZQSHF-DOTOQJQBSA-N 1 0 363.458 3.768 20 5 FHBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@H]2Cc3cccc(O)c3C2)c1 ZINC000549610121 947992835 /nfs/dbraw/zinc/99/28/35/947992835.db2.gz HFUJRCPWBRMLRV-LBPRGKRZSA-N 1 0 352.312 3.576 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)Cc3cc(C)n[nH]3)o2)c([N+](=O)[O-])c1 ZINC000136788231 947995065 /nfs/dbraw/zinc/99/50/65/947995065.db2.gz ZSWHZPGXBNPPFO-GFCCVEGCSA-N 1 0 370.409 3.616 20 5 FHBDRO CCOC(=O)CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCCC1 ZINC000549613500 948019587 /nfs/dbraw/zinc/01/95/87/948019587.db2.gz KIHHZRNKOAJMLI-UHFFFAOYSA-N 1 0 374.359 3.969 20 5 FHBDRO O=[N+]([O-])c1cccc2c(NC[C@@H](c3ccco3)[NH+]3CCCC3)ccnc21 ZINC000432320912 948029790 /nfs/dbraw/zinc/02/97/90/948029790.db2.gz CHSPSDIVHVEOCT-KRWDZBQOSA-N 1 0 352.394 3.985 20 5 FHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1C[NH+](C)C ZINC000184652797 948066377 /nfs/dbraw/zinc/06/63/77/948066377.db2.gz PBQFPDRVDUQNCV-QGZVFWFLSA-N 1 0 369.465 3.542 20 5 FHBDRO CC[NH+](CC)CCOC1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432325817 948074249 /nfs/dbraw/zinc/07/42/49/948074249.db2.gz NINJQWZPRHYPPI-UHFFFAOYSA-N 1 0 355.866 3.575 20 5 FHBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)c(Cl)c1 ZINC000184667579 948120392 /nfs/dbraw/zinc/12/03/92/948120392.db2.gz GSZVXFWLZXZYJG-UHFFFAOYSA-N 1 0 365.783 3.755 20 5 FHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432348782 948186287 /nfs/dbraw/zinc/18/62/87/948186287.db2.gz SZIMECPLVGWZRF-BZUAXINKSA-N 1 0 354.454 3.985 20 5 FHBDRO CN1CC[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000585717153 948231470 /nfs/dbraw/zinc/23/14/70/948231470.db2.gz VSUBQHGCADMYKY-WMZOPIPTSA-N 1 0 365.355 3.547 20 5 FHBDRO C[C@@H]1C[C@H]1[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000585729248 948237616 /nfs/dbraw/zinc/23/76/16/948237616.db2.gz ZHZZLXAHICBWTN-LQAWEQHXSA-N 1 0 359.813 3.926 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)cc1[N+](=O)[O-] ZINC000585765587 948276679 /nfs/dbraw/zinc/27/66/79/948276679.db2.gz XJJLRCNQVMBNNT-ZDUSSCGKSA-N 1 0 354.410 3.763 20 5 FHBDRO CCc1ccc([C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000585794111 948301375 /nfs/dbraw/zinc/30/13/75/948301375.db2.gz FFCNUAFNQRRGMP-PTSWNOGYSA-N 1 0 358.438 3.980 20 5 FHBDRO CC[NH+](CC)Cc1cccc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000087134482 948607680 /nfs/dbraw/zinc/60/76/80/948607680.db2.gz TXJQQFZRBLFFFB-UHFFFAOYSA-N 1 0 369.465 3.686 20 5 FHBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000279209419 948619258 /nfs/dbraw/zinc/61/92/58/948619258.db2.gz XZIKERXGXWFGTM-XVGQJIODSA-N 1 0 362.495 3.962 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)co2)cc1 ZINC000279251382 948660397 /nfs/dbraw/zinc/66/03/97/948660397.db2.gz LGNCEAFXYKNWBY-RCCFBDPRSA-N 1 0 369.421 3.687 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000893655173 948703456 /nfs/dbraw/zinc/70/34/56/948703456.db2.gz XYCGSWWBDDRBGD-UHFFFAOYSA-N 1 0 361.829 3.563 20 5 FHBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](CCc4ccccc4)CC3)ccc2c1 ZINC000097261967 132305757 /nfs/dbraw/zinc/30/57/57/132305757.db2.gz PGCVUGAOHTXVOE-UHFFFAOYSA-N 1 0 362.433 3.508 20 5 FHBDRO CC(C)(CO)[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000290940541 567864959 /nfs/dbraw/zinc/86/49/59/567864959.db2.gz PWZWUOROZDYQLW-INIZCTEOSA-N 1 0 361.467 3.605 20 5 FHBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCCOC1CCOCC1 ZINC000290991963 567926132 /nfs/dbraw/zinc/92/61/32/567926132.db2.gz ZYRHILJQWBDLPW-UHFFFAOYSA-N 1 0 363.241 3.577 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000481436972 567935719 /nfs/dbraw/zinc/93/57/19/567935719.db2.gz GAZIHPPJSJHTAX-KBXCAEBGSA-N 1 0 356.426 3.716 20 5 FHBDRO O=C(NCCCCC[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000541834914 567957227 /nfs/dbraw/zinc/95/72/27/567957227.db2.gz RZYNNNDQMZQMOW-UHFFFAOYSA-N 1 0 352.410 3.512 20 5 FHBDRO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1ccccc1C ZINC000051452266 567958728 /nfs/dbraw/zinc/95/87/28/567958728.db2.gz RRFZGGMSTMGTGZ-UHFFFAOYSA-N 1 0 355.438 3.796 20 5 FHBDRO O=[N+]([O-])c1sc(C[NH2+]CCCc2nccs2)cc1Br ZINC000602592425 567995245 /nfs/dbraw/zinc/99/52/45/567995245.db2.gz FIKLYDGZCFXNBD-UHFFFAOYSA-N 1 0 362.274 3.598 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCCc4sccc43)CC2)cn1 ZINC000602613417 567997766 /nfs/dbraw/zinc/99/77/66/567997766.db2.gz ZMJDNOKQVTZZEF-INIZCTEOSA-N 1 0 358.467 3.687 20 5 FHBDRO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@H](O)Cc1ccccc1 ZINC000568306279 568018174 /nfs/dbraw/zinc/01/81/74/568018174.db2.gz XOKKKODHVOEGFX-QGZVFWFLSA-N 1 0 366.417 3.890 20 5 FHBDRO [NH3+]CCN(Cc1ccccc1OCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000568328362 568024768 /nfs/dbraw/zinc/02/47/68/568024768.db2.gz RGUQGCARDUMJTG-UHFFFAOYSA-N 1 0 369.343 3.501 20 5 FHBDRO CCSCC[C@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072900601 568056848 /nfs/dbraw/zinc/05/68/48/568056848.db2.gz UVQBKAOVLFWGPB-AWEZNQCLSA-N 1 0 353.488 3.695 20 5 FHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000291200092 568075824 /nfs/dbraw/zinc/07/58/24/568075824.db2.gz MYDPPFUDEYNGEV-LSDHHAIUSA-N 1 0 368.437 3.926 20 5 FHBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(N2CCCNC2=O)cc1 ZINC000291228317 568084393 /nfs/dbraw/zinc/08/43/93/568084393.db2.gz PLWICQZRNFYSRV-GJZGRUSLSA-N 1 0 368.437 3.926 20 5 FHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000291237210 568084868 /nfs/dbraw/zinc/08/48/68/568084868.db2.gz QJEXMIAUEYFEKI-LSDHHAIUSA-N 1 0 368.437 3.926 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)n1 ZINC000481682908 568085030 /nfs/dbraw/zinc/08/50/30/568085030.db2.gz BKBFMDLUBQGCGE-HZPDHXFCSA-N 1 0 370.453 3.520 20 5 FHBDRO COc1ccc(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)cc1[N+](=O)[O-] ZINC000481725576 568098403 /nfs/dbraw/zinc/09/84/03/568098403.db2.gz KSTKHAFSFFMFQJ-HXUWFJFHSA-N 1 0 354.406 3.625 20 5 FHBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(c2ccccc2)CCCC1 ZINC000481826824 568136268 /nfs/dbraw/zinc/13/62/68/568136268.db2.gz VZFUGTJANYECDN-HNNXBMFYSA-N 1 0 367.449 3.684 20 5 FHBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1O ZINC000481833644 568146528 /nfs/dbraw/zinc/14/65/28/568146528.db2.gz DSHLCYUBYVCPBE-TZMCWYRMSA-N 1 0 360.385 3.874 20 5 FHBDRO C[C@@H](C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000568942302 568256422 /nfs/dbraw/zinc/25/64/22/568256422.db2.gz RHMIUAFFFILDEX-BZUAXINKSA-N 1 0 361.486 3.571 20 5 FHBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(CC)CC ZINC000482135157 568276992 /nfs/dbraw/zinc/27/69/92/568276992.db2.gz MUOUGNYBOFIXHD-HZPDHXFCSA-N 1 0 374.441 3.718 20 5 FHBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+](C)C2CCOCC2)cc1OC ZINC000541986187 568302401 /nfs/dbraw/zinc/30/24/01/568302401.db2.gz JDKJUNOSNSAQHM-CQSZACIVSA-N 1 0 366.458 3.639 20 5 FHBDRO C[C@H](O)[C@@](C)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000570697025 568499910 /nfs/dbraw/zinc/49/99/10/568499910.db2.gz ZKWZVFMMJTXFBP-NYSBEXSLSA-N 1 0 354.450 3.802 20 5 FHBDRO CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cccs1 ZINC000007613784 568539791 /nfs/dbraw/zinc/53/97/91/568539791.db2.gz QKBWEHHJWBQWLE-UHFFFAOYSA-N 1 0 353.831 3.770 20 5 FHBDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000824544935 608503193 /nfs/dbraw/zinc/50/31/93/608503193.db2.gz ANFAOUPKILXZNU-KZULUSFZSA-N 1 0 364.409 3.503 20 5 FHBDRO CC(C)c1ccc(C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000824347574 608520575 /nfs/dbraw/zinc/52/05/75/608520575.db2.gz DUPHCXBVVLPWER-UHFFFAOYSA-N 1 0 366.425 3.530 20 5 FHBDRO Cc1c([C@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000162246127 936363390 /nfs/dbraw/zinc/36/33/90/936363390.db2.gz BRNUHVJRBXWBMA-INIZCTEOSA-N 1 0 354.454 3.613 20 5 FHBDRO C[NH+]1CCC(C)(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000278023110 936378875 /nfs/dbraw/zinc/37/88/75/936378875.db2.gz JLHNNURPMFLTOG-UHFFFAOYSA-N 1 0 363.461 3.555 20 5 FHBDRO C/C(=C/C(=O)OC[C@@H]1CCC[N@@H+]1Cc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000784900960 927240163 /nfs/dbraw/zinc/24/01/63/927240163.db2.gz DSUFEFWXCQQNPD-NZHZHZHDSA-N 1 0 370.405 3.799 20 5 FHBDRO CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000247983786 937151287 /nfs/dbraw/zinc/15/12/87/937151287.db2.gz IPUZUDQHXJDZIU-UXPWSPDFSA-N 1 0 363.502 3.773 20 5 FHBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCCCc1ccccc1 ZINC001167053846 927504372 /nfs/dbraw/zinc/50/43/72/927504372.db2.gz CGIBHYQPOQKJJK-INIZCTEOSA-N 1 0 355.438 3.877 20 5 FHBDRO CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000583153763 937178980 /nfs/dbraw/zinc/17/89/80/937178980.db2.gz RWMQRCZVTHGDOX-LJQANCHMSA-N 1 0 367.449 3.902 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000157507877 927771726 /nfs/dbraw/zinc/77/17/26/927771726.db2.gz MSTFRLKPVNFHQZ-MRXNPFEDSA-N 1 0 359.470 3.712 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1CC(=O)c1cccs1 ZINC000430206809 928062293 /nfs/dbraw/zinc/06/22/93/928062293.db2.gz LFRKGHRKMYIJFQ-CQSZACIVSA-N 1 0 360.435 3.902 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000430211292 928130649 /nfs/dbraw/zinc/13/06/49/928130649.db2.gz XMVAKLVRXJYKLP-FQEVSTJZSA-N 1 0 370.449 3.865 20 5 FHBDRO COc1ccc(OC)c([C@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000430212545 928141108 /nfs/dbraw/zinc/14/11/08/928141108.db2.gz OBFWLYAFQHJJQR-GOSISDBHSA-N 1 0 372.421 3.958 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC2(C1)CCCCC2 ZINC000610216170 928173545 /nfs/dbraw/zinc/17/35/45/928173545.db2.gz VCMQFNDEAZCAGA-UHFFFAOYSA-N 1 0 361.442 3.588 20 5 FHBDRO O=[N+]([O-])c1cnc(N2CC3(CC[NH2+]CC3)c3ccccc32)c2ccccc21 ZINC001167070371 928200405 /nfs/dbraw/zinc/20/04/05/928200405.db2.gz SCWVSJIGZLFFJC-UHFFFAOYSA-N 1 0 360.417 3.916 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCc2cnc(C3CC3)nc2)o1 ZINC000535959344 937230285 /nfs/dbraw/zinc/23/02/85/937230285.db2.gz LMFXXUDXYYPUNF-UHFFFAOYSA-N 1 0 364.405 3.855 20 5 FHBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000175756633 928320172 /nfs/dbraw/zinc/32/01/72/928320172.db2.gz QQPKLPBKDDSFIU-CQSZACIVSA-N 1 0 371.824 3.873 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000430235166 928374511 /nfs/dbraw/zinc/37/45/11/928374511.db2.gz XUZSLEPXGVCRRQ-FUHWJXTLSA-N 1 0 364.348 3.501 20 5 FHBDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000535965293 937247609 /nfs/dbraw/zinc/24/76/09/937247609.db2.gz YMAMLHYAJUWKLE-HNNXBMFYSA-N 1 0 356.451 3.979 20 5 FHBDRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000466898762 928750486 /nfs/dbraw/zinc/75/04/86/928750486.db2.gz BHKPSNZALFLGPG-SFHVURJKSA-N 1 0 366.417 3.856 20 5 FHBDRO COCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000608885642 928836855 /nfs/dbraw/zinc/83/68/55/928836855.db2.gz DQVKRDAYCYROOP-UHFFFAOYSA-N 1 0 361.364 3.526 20 5 FHBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000583262420 937295349 /nfs/dbraw/zinc/29/53/49/937295349.db2.gz CDUHFQRYRGXJQI-GFCCVEGCSA-N 1 0 359.411 3.814 20 5 FHBDRO Cc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(-c2cnn(C)c2)c1 ZINC000583275832 937307371 /nfs/dbraw/zinc/30/73/71/937307371.db2.gz ZEWPWKYOVBKSMT-UHFFFAOYSA-N 1 0 350.422 3.902 20 5 FHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430294686 929355597 /nfs/dbraw/zinc/35/55/97/929355597.db2.gz BLFKUKXVPKGCQL-HOTGVXAUSA-N 1 0 353.422 3.641 20 5 FHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000187209636 929539206 /nfs/dbraw/zinc/53/92/06/929539206.db2.gz FTIDXCCIFSLRCO-ACJLOTCBSA-N 1 0 373.478 3.738 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430301018 929546576 /nfs/dbraw/zinc/54/65/76/929546576.db2.gz PNOPZOWHSMIXRL-IRXDYDNUSA-N 1 0 367.449 3.949 20 5 FHBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+](CCO)[C@@H]3CCCc4ccccc43)nc2c1 ZINC000083172249 929635170 /nfs/dbraw/zinc/63/51/70/929635170.db2.gz XWSKQWFAEKWRMX-GOSISDBHSA-N 1 0 367.405 3.608 20 5 FHBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000023676660 929692258 /nfs/dbraw/zinc/69/22/58/929692258.db2.gz CXTJGLVAQXUNNJ-CRAIPNDOSA-N 1 0 366.417 3.839 20 5 FHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(Oc2cnccn2)cc1 ZINC000579977606 929741032 /nfs/dbraw/zinc/74/10/32/929741032.db2.gz JPXOKYOHPXKBNK-UHFFFAOYSA-N 1 0 364.405 3.852 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175833461 929843012 /nfs/dbraw/zinc/84/30/12/929843012.db2.gz OUEYXTLQKNLQAR-HOCLYGCPSA-N 1 0 362.451 3.753 20 5 FHBDRO Cc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2=O)cc1 ZINC000580023613 929906579 /nfs/dbraw/zinc/90/65/79/929906579.db2.gz ZMQUSZSDDJVPRU-OXJNMPFZSA-N 1 0 367.449 3.663 20 5 FHBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 ZINC000023697082 929915124 /nfs/dbraw/zinc/91/51/24/929915124.db2.gz LEFLLHFXRSADBV-UHFFFAOYSA-N 1 0 355.438 3.675 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000548010743 929937382 /nfs/dbraw/zinc/93/73/82/929937382.db2.gz ZLMXMRYKPIIJSA-NVXWUHKLSA-N 1 0 354.454 3.987 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000123935819 930195700 /nfs/dbraw/zinc/19/57/00/930195700.db2.gz VBLIMZDAYXJNNW-FNORWQNLSA-N 1 0 366.446 3.959 20 5 FHBDRO O=c1[nH]c2ccccc2cc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000580177310 930330385 /nfs/dbraw/zinc/33/03/85/930330385.db2.gz LDDJXGPEHZOODY-UHFFFAOYSA-N 1 0 362.389 3.662 20 5 FHBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1OCC(=O)NC ZINC000610420425 930489727 /nfs/dbraw/zinc/48/97/27/930489727.db2.gz ZNMUEYACHMDNHQ-RDTXWAMCSA-N 1 0 371.437 3.522 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379654502 930497670 /nfs/dbraw/zinc/49/76/70/930497670.db2.gz IRFPXDDDBBKQJM-QFBILLFUSA-N 1 0 369.465 3.746 20 5 FHBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1cccs1 ZINC000247260458 930531816 /nfs/dbraw/zinc/53/18/16/930531816.db2.gz FAVJKJHUWOJBBI-ABAIWWIYSA-N 1 0 365.480 3.531 20 5 FHBDRO C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000579661300 930720454 /nfs/dbraw/zinc/72/04/54/930720454.db2.gz WBCCYROXORCCNE-MRXNPFEDSA-N 1 0 367.449 3.975 20 5 FHBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000610451900 931018194 /nfs/dbraw/zinc/01/81/94/931018194.db2.gz MIRKFRUFWVOAGO-MRXNPFEDSA-N 1 0 357.429 3.830 20 5 FHBDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001167434213 931140141 /nfs/dbraw/zinc/14/01/41/931140141.db2.gz SQXMKFXKBGSAOM-LALPHHSUSA-N 1 0 351.834 3.840 20 5 FHBDRO COc1ccc(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3F)CCOCC2)cc1 ZINC000610481073 931586007 /nfs/dbraw/zinc/58/60/07/931586007.db2.gz SIPOJXBJOFIZAH-UHFFFAOYSA-N 1 0 360.385 3.538 20 5 FHBDRO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000126195729 931607689 /nfs/dbraw/zinc/60/76/89/931607689.db2.gz QFIAQFYAHXPHMO-UHFFFAOYSA-N 1 0 367.449 3.804 20 5 FHBDRO CCCN(CC[NH+]1CCCCC1)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000477084522 931909910 /nfs/dbraw/zinc/90/99/10/931909910.db2.gz MTHLTGDNJHGGNR-UHFFFAOYSA-N 1 0 362.474 3.941 20 5 FHBDRO CCOc1cc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000610515860 932333203 /nfs/dbraw/zinc/33/32/03/932333203.db2.gz CJGNYHCEGAZSFF-GOSISDBHSA-N 1 0 355.438 3.704 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CO)c2ccc(CC)cc2)cc1[N+](=O)[O-] ZINC000090844074 932354118 /nfs/dbraw/zinc/35/41/18/932354118.db2.gz CFBZYBVDHUPVJX-KBXCAEBGSA-N 1 0 358.438 3.940 20 5 FHBDRO CC[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000610530864 932537088 /nfs/dbraw/zinc/53/70/88/932537088.db2.gz TUOLLPBHLFALFV-RBUKOAKNSA-N 1 0 374.485 3.706 20 5 FHBDRO CC(C)[NH+](CCS[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000161004062 932541726 /nfs/dbraw/zinc/54/17/26/932541726.db2.gz VTYJKWMKSLOBEN-CQSZACIVSA-N 1 0 353.488 3.774 20 5 FHBDRO CCOC(CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])OCC ZINC000276525976 932555963 /nfs/dbraw/zinc/55/59/63/932555963.db2.gz MVRLIEQECODYJL-WBVHZDCISA-N 1 0 350.459 3.685 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000276529050 932563411 /nfs/dbraw/zinc/56/34/11/932563411.db2.gz DMYPAWYZNXIQDK-UHFFFAOYSA-N 1 0 353.850 3.549 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000157460740 932565744 /nfs/dbraw/zinc/56/57/44/932565744.db2.gz FOFZZSBZLKEZIG-INIZCTEOSA-N 1 0 359.470 3.712 20 5 FHBDRO COc1ccc(C[N@H+](C)Cc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000051212582 932612537 /nfs/dbraw/zinc/61/25/37/932612537.db2.gz OGLSZQJGRVWBEK-UHFFFAOYSA-N 1 0 352.337 3.837 20 5 FHBDRO Cc1sc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000430654455 932614600 /nfs/dbraw/zinc/61/46/00/932614600.db2.gz RTIMHEDBONVMBG-CZUORRHYSA-N 1 0 373.478 3.748 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000548287654 932832866 /nfs/dbraw/zinc/83/28/66/932832866.db2.gz DVUKFXVQFAYUAE-UHFFFAOYSA-N 1 0 355.438 3.541 20 5 FHBDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178206418 932880108 /nfs/dbraw/zinc/88/01/08/932880108.db2.gz BPHWELSUFBFSPQ-KRWDZBQOSA-N 1 0 359.401 3.529 20 5 FHBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000247417980 932955458 /nfs/dbraw/zinc/95/54/58/932955458.db2.gz NSYJPQLMDXVSIR-ABAIWWIYSA-N 1 0 365.480 3.531 20 5 FHBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000588444424 933100869 /nfs/dbraw/zinc/10/08/69/933100869.db2.gz AQGSKBADWOZUGL-GDGUIRGDSA-N 1 0 359.470 3.626 20 5 FHBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000588445842 933146896 /nfs/dbraw/zinc/14/68/96/933146896.db2.gz LWELZGYYMNMRPW-SSZFMOIBSA-N 1 0 359.470 3.577 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1 ZINC000510542679 933206447 /nfs/dbraw/zinc/20/64/47/933206447.db2.gz BFWLQKXAEGDLKH-KXBFYZLASA-N 1 0 355.438 3.633 20 5 FHBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1)OCCO2 ZINC000610613337 933534447 /nfs/dbraw/zinc/53/44/47/933534447.db2.gz WXXOBGLKJMZPRS-DGCLKSJQSA-N 1 0 374.359 3.824 20 5 FHBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1[N+](=O)[O-] ZINC000610644920 933595619 /nfs/dbraw/zinc/59/56/19/933595619.db2.gz PPYMPZKXBGWZMF-NXHRZFHOSA-N 1 0 374.485 3.621 20 5 FHBDRO Cc1ccc(-c2nc(-c3ccc(OCC[NH+](C)C)cc3)no2)cc1[N+](=O)[O-] ZINC000544991306 934244434 /nfs/dbraw/zinc/24/44/34/934244434.db2.gz SXRLOGATMRABIB-UHFFFAOYSA-N 1 0 368.393 3.561 20 5 FHBDRO CC[C@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@H]1O ZINC000535810286 934418638 /nfs/dbraw/zinc/41/86/38/934418638.db2.gz BOOOBWONVHBRJP-OXJNMPFZSA-N 1 0 355.438 3.565 20 5 FHBDRO CC(C)(C)C(=O)N1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000610799281 934436346 /nfs/dbraw/zinc/43/63/46/934436346.db2.gz MIYWIJMUQXEPPJ-GOSISDBHSA-N 1 0 373.497 3.543 20 5 FHBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)cc1 ZINC000610805369 934448777 /nfs/dbraw/zinc/44/87/77/934448777.db2.gz XUMWYCDEMNZUDB-SFHVURJKSA-N 1 0 357.410 3.673 20 5 FHBDRO COc1cccc2c1OC[C@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C2 ZINC000610809830 934454450 /nfs/dbraw/zinc/45/44/50/934454450.db2.gz QXFJSTNBCHCFQI-QZTJIDSGSA-N 1 0 368.433 3.518 20 5 FHBDRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000610859164 934533268 /nfs/dbraw/zinc/53/32/68/934533268.db2.gz FYDWAPJAKDGBGS-HNNXBMFYSA-N 1 0 371.462 3.570 20 5 FHBDRO Cn1ccnc1[C@H](NCC(C)(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000611560353 934823192 /nfs/dbraw/zinc/82/31/92/934823192.db2.gz WJNMIPRSXDQMOV-LJQANCHMSA-N 1 0 364.449 3.985 20 5 FHBDRO COc1ccc(OC)c(C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000065533728 934963726 /nfs/dbraw/zinc/96/37/26/934963726.db2.gz ZLSQADNYXHPIMK-UHFFFAOYSA-N 1 0 372.421 3.655 20 5 FHBDRO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000119670008 934999763 /nfs/dbraw/zinc/99/97/63/934999763.db2.gz IYHQGUFBTLYGBY-HOTGVXAUSA-N 1 0 355.438 3.841 20 5 FHBDRO Cc1ccc(Sc2ccc(C(=O)N3CCC([NH3+])CC3)cc2[N+](=O)[O-])cc1 ZINC000157569720 935092094 /nfs/dbraw/zinc/09/20/94/935092094.db2.gz VYEJHZPEJWXPQG-UHFFFAOYSA-N 1 0 371.462 3.618 20 5 FHBDRO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C12CCCCC2 ZINC001167539093 935151336 /nfs/dbraw/zinc/15/13/36/935151336.db2.gz IUHPBQRTNYQEAQ-CEXWTWQISA-N 1 0 362.470 3.688 20 5 FHBDRO COc1cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000426525990 945080878 /nfs/dbraw/zinc/08/08/78/945080878.db2.gz SYTSXBMVNQLWHP-AAEUAGOBSA-N 1 0 356.369 3.622 20 5 FHBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CC1CCCC1)c1ccccc1 ZINC000539330885 935173584 /nfs/dbraw/zinc/17/35/84/935173584.db2.gz HVARJNSIUKSNBH-LJQANCHMSA-N 1 0 355.438 3.668 20 5 FHBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000051429998 935247004 /nfs/dbraw/zinc/24/70/04/935247004.db2.gz RPVQNCPHUOULBY-OAHLLOKOSA-N 1 0 362.451 3.716 20 5 FHBDRO C[N@H+](CCCc1nc(-c2ccccc2)no1)CCc1ccccc1[N+](=O)[O-] ZINC000511080982 935309641 /nfs/dbraw/zinc/30/96/41/935309641.db2.gz KZNYCNCAMUZOSB-UHFFFAOYSA-N 1 0 366.421 3.752 20 5 FHBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000119888194 935319142 /nfs/dbraw/zinc/31/91/42/935319142.db2.gz WWQUECQTORUVCV-IPELMVKDSA-N 1 0 371.437 3.538 20 5 FHBDRO CC(C)([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 ZINC000551723247 935334031 /nfs/dbraw/zinc/33/40/31/935334031.db2.gz YSBJLUZSMRJJAA-UHFFFAOYSA-N 1 0 373.840 3.662 20 5 FHBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(c3ncccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000119974332 935386232 /nfs/dbraw/zinc/38/62/32/935386232.db2.gz QNQMKQHWRGNTJL-KGLIPLIRSA-N 1 0 360.845 3.881 20 5 FHBDRO CCOC(=O)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000473075307 945099647 /nfs/dbraw/zinc/09/96/47/945099647.db2.gz GCXKZEHSMCWZIR-UHFFFAOYSA-N 1 0 360.435 3.756 20 5 FHBDRO C[C@H](NCc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381711595 935544360 /nfs/dbraw/zinc/54/43/60/935544360.db2.gz JIBHNNDYKMFFCG-YJBOKZPZSA-N 1 0 357.429 3.734 20 5 FHBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000511103242 935574270 /nfs/dbraw/zinc/57/42/70/935574270.db2.gz BTXGPUBOXOVGKN-CQSZACIVSA-N 1 0 368.359 3.690 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000127527192 935607111 /nfs/dbraw/zinc/60/71/11/935607111.db2.gz VMQQLTNHRUVBHA-UHFFFAOYSA-N 1 0 370.453 3.855 20 5 FHBDRO CC(C)[NH+]1CCC(N(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000506399093 945116907 /nfs/dbraw/zinc/11/69/07/945116907.db2.gz ZSNSCAXIAWOZDZ-UHFFFAOYSA-N 1 0 357.401 3.501 20 5 FHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)Cc1ccc2ccccc2c1 ZINC000511123315 935698894 /nfs/dbraw/zinc/69/88/94/935698894.db2.gz IINIVMLHUWCBAO-OAQYLSRUSA-N 1 0 364.445 3.826 20 5 FHBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000178606740 935845753 /nfs/dbraw/zinc/84/57/53/935845753.db2.gz ILVVKOKFXBYGGX-AWEZNQCLSA-N 1 0 371.462 3.570 20 5 FHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000511790406 945130882 /nfs/dbraw/zinc/13/08/82/945130882.db2.gz YSMYZWZZOCUWTB-IBGZPJMESA-N 1 0 367.449 3.625 20 5 FHBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC001167599142 935943176 /nfs/dbraw/zinc/94/31/76/935943176.db2.gz PMGROUILCMNQGY-CRAIPNDOSA-N 1 0 356.422 3.860 20 5 FHBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000237365534 935960031 /nfs/dbraw/zinc/96/00/31/935960031.db2.gz GDGFINLSOVEUSY-ZBFHGGJFSA-N 1 0 368.437 3.538 20 5 FHBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277801269 935960557 /nfs/dbraw/zinc/96/05/57/935960557.db2.gz WHTFALAZNJIKHQ-AWEZNQCLSA-N 1 0 351.450 3.554 20 5 FHBDRO CC(C)[C@@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)c1ccccc1 ZINC000117334223 935970698 /nfs/dbraw/zinc/97/06/98/935970698.db2.gz LIYZVTPYEBFJND-LJQANCHMSA-N 1 0 369.421 3.880 20 5 FHBDRO COc1cccc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000516682651 945137629 /nfs/dbraw/zinc/13/76/29/945137629.db2.gz BGGJCZLCCPNLLS-KRWDZBQOSA-N 1 0 355.438 3.580 20 5 FHBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H](C)Cc1ccsc1 ZINC000187795244 936019434 /nfs/dbraw/zinc/01/94/34/936019434.db2.gz OTKYSMYQRZIDJP-CQSZACIVSA-N 1 0 361.467 3.856 20 5 FHBDRO COc1ccccc1N1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000178651738 936036707 /nfs/dbraw/zinc/03/67/07/936036707.db2.gz BJGCTMPUQKDDTH-HNNXBMFYSA-N 1 0 355.438 3.923 20 5 FHBDRO C[C@H](Cc1cccs1)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001167609094 936050326 /nfs/dbraw/zinc/05/03/26/936050326.db2.gz SAEXVEPQNPCMJK-GFCCVEGCSA-N 1 0 365.430 3.687 20 5 FHBDRO Cc1cc(N2CC(c3nc4ccccc4[nH]3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611928862 936092813 /nfs/dbraw/zinc/09/28/13/936092813.db2.gz XNOYXDAYHUFSFH-UHFFFAOYSA-N 1 0 359.389 3.932 20 5 FHBDRO Cc1ccnc(NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000582807984 936149817 /nfs/dbraw/zinc/14/98/17/936149817.db2.gz NEADVSXAIJKERF-KRWDZBQOSA-N 1 0 358.442 3.800 20 5 FHBDRO COc1cccc(C2([NH2+]Cc3cccc([N+](=O)[O-])c3)CCOCC2)c1F ZINC000582824949 936173955 /nfs/dbraw/zinc/17/39/55/936173955.db2.gz RPORZDOWSCCMQE-UHFFFAOYSA-N 1 0 360.385 3.538 20 5 FHBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001167624184 936188148 /nfs/dbraw/zinc/18/81/48/936188148.db2.gz ANNFJBZEOHEGAW-UHFFFAOYSA-N 1 0 374.254 3.981 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000178691425 936208309 /nfs/dbraw/zinc/20/83/09/936208309.db2.gz LDBIDPFYFIUSSX-NEPJUHHUSA-N 1 0 363.364 3.859 20 5 FHBDRO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178691666 936208973 /nfs/dbraw/zinc/20/89/73/936208973.db2.gz QZBRDUZQLAVTGH-CABCVRRESA-N 1 0 371.437 3.980 20 5 FHBDRO O=C(CC[NH2+][C@@H]1C[C@H]1c1cccc(Cl)c1)Nc1ccccc1[N+](=O)[O-] ZINC000519143307 945152451 /nfs/dbraw/zinc/15/24/51/945152451.db2.gz RLJYYUYGIJNYGQ-GOEBONIOSA-N 1 0 359.813 3.723 20 5 FHBDRO C[NH+](C)CC1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000052404212 938280561 /nfs/dbraw/zinc/28/05/61/938280561.db2.gz WVQXINYOJQTGKD-UHFFFAOYSA-N 1 0 367.449 3.604 20 5 FHBDRO O=[N+]([O-])c1ccc(CN2CCN(Cc3cccs3)CC2)c(Cl)c1 ZINC000611772979 938285908 /nfs/dbraw/zinc/28/59/08/938285908.db2.gz FTEUSPRVMKHFEI-UHFFFAOYSA-N 1 0 351.859 3.628 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000245529131 938302841 /nfs/dbraw/zinc/30/28/41/938302841.db2.gz QYKRCNSOVZTPNQ-HOTGVXAUSA-N 1 0 361.486 3.839 20 5 FHBDRO COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000052474152 938322105 /nfs/dbraw/zinc/32/21/05/938322105.db2.gz IIYWHHJKFONLTO-QGZVFWFLSA-N 1 0 356.426 3.638 20 5 FHBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)c1ccc(F)cc1 ZINC000052486054 938339556 /nfs/dbraw/zinc/33/95/56/938339556.db2.gz DLRRLQWFXCVHSW-IBGZPJMESA-N 1 0 354.385 3.997 20 5 FHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C[NH+](C)C ZINC000583726939 938379040 /nfs/dbraw/zinc/37/90/40/938379040.db2.gz QBPPMGNXUZVQEP-INIZCTEOSA-N 1 0 355.438 3.864 20 5 FHBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000052611788 938435596 /nfs/dbraw/zinc/43/55/96/938435596.db2.gz JHZQKTYZKNZCHQ-HNNXBMFYSA-N 1 0 367.405 3.994 20 5 FHBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000052611787 938436164 /nfs/dbraw/zinc/43/61/64/938436164.db2.gz JHZQKTYZKNZCHQ-OAHLLOKOSA-N 1 0 367.405 3.994 20 5 FHBDRO O=[N+]([O-])c1c(NCc2ccc(C[NH+]3CCCCC3)cc2)nc2sccn21 ZINC000052719730 938512003 /nfs/dbraw/zinc/51/20/03/938512003.db2.gz OXNLJYYADRJEJP-UHFFFAOYSA-N 1 0 371.466 3.902 20 5 FHBDRO COc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000052866455 938636589 /nfs/dbraw/zinc/63/65/89/938636589.db2.gz GPKCXJGJPCRACL-SFHVURJKSA-N 1 0 356.422 3.785 20 5 FHBDRO COc1cc(CN2CCC(F)(F)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000584320068 938685158 /nfs/dbraw/zinc/68/51/58/938685158.db2.gz AHFQBPXKWZNTRI-VIFPVBQESA-N 1 0 366.311 3.682 20 5 FHBDRO Cc1ccc([C@@H](CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000454455469 945205550 /nfs/dbraw/zinc/20/55/50/945205550.db2.gz MZEOSMAUNOPQGF-HNAYVOBHSA-N 1 0 370.453 3.566 20 5 FHBDRO CC(C)OCc1ccccc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548826049 938824665 /nfs/dbraw/zinc/82/46/65/938824665.db2.gz BWENVPJIARJJGX-UHFFFAOYSA-N 1 0 371.437 3.638 20 5 FHBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000431550390 938864849 /nfs/dbraw/zinc/86/48/49/938864849.db2.gz MEJYJCDOMWSTPV-CJNGLKHVSA-N 1 0 367.877 3.879 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCn3cnnc3C3CC3)s2)cc1 ZINC000124281353 945215890 /nfs/dbraw/zinc/21/58/90/945215890.db2.gz NTMAWBJVACFEAH-UHFFFAOYSA-N 1 0 369.450 3.582 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000179108453 938944294 /nfs/dbraw/zinc/94/42/94/938944294.db2.gz XSRIPFRQDVWDQI-FQEVSTJZSA-N 1 0 353.422 3.973 20 5 FHBDRO Cc1ccc(C2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000611941672 938994087 /nfs/dbraw/zinc/99/40/87/938994087.db2.gz VAIKUHDUVMJRRE-UHFFFAOYSA-N 1 0 355.438 3.947 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000472341977 939001174 /nfs/dbraw/zinc/00/11/74/939001174.db2.gz IBFIPHMORVLIFN-FUHWJXTLSA-N 1 0 367.449 3.795 20 5 FHBDRO CSc1cccc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000188060112 939017435 /nfs/dbraw/zinc/01/74/35/939017435.db2.gz BHXOZUOEUGVYHQ-AWEZNQCLSA-N 1 0 365.499 3.559 20 5 FHBDRO O=[N+]([O-])c1ncccc1N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000612101929 939050585 /nfs/dbraw/zinc/05/05/85/939050585.db2.gz YRCYXRUGRZHCDR-RCCFBDPRSA-N 1 0 352.438 3.702 20 5 FHBDRO C[NH+](C)CCc1ccc(CNc2ccnc3c2cccc3[N+](=O)[O-])cc1 ZINC000432158427 945229534 /nfs/dbraw/zinc/22/95/34/945229534.db2.gz NWXYIXFRVBBAFU-UHFFFAOYSA-N 1 0 350.422 3.859 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)CN3CCCCC3)o2)c([N+](=O)[O-])c1 ZINC000518268724 945274222 /nfs/dbraw/zinc/27/42/22/945274222.db2.gz SHPXZGSXQLMZJV-OAHLLOKOSA-N 1 0 373.453 3.827 20 5 FHBDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1C ZINC000544143119 945277282 /nfs/dbraw/zinc/27/72/82/945277282.db2.gz YCKHOPOAJSKMAI-MJGOQNOKSA-N 1 0 370.449 3.788 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@H]3C[NH+]3CCCC3)cs2)c1 ZINC000179641784 939906858 /nfs/dbraw/zinc/90/68/58/939906858.db2.gz YTXQBIVMQDUXEI-SFHVURJKSA-N 1 0 372.494 3.779 20 5 FHBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179764843 939932580 /nfs/dbraw/zinc/93/25/80/939932580.db2.gz GDHDNEYVGCVAJC-CQSZACIVSA-N 1 0 369.421 3.673 20 5 FHBDRO C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000179764959 939932922 /nfs/dbraw/zinc/93/29/22/939932922.db2.gz YTFUXKHNCGLOIM-LBPRGKRZSA-N 1 0 357.385 3.933 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000177129677 939943159 /nfs/dbraw/zinc/94/31/59/939943159.db2.gz WKTWZWSSMFEGEZ-RDJZCZTQSA-N 1 0 360.410 3.675 20 5 FHBDRO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c1 ZINC000177151439 939965002 /nfs/dbraw/zinc/96/50/02/939965002.db2.gz URPXJMKTIVGEAF-LJQANCHMSA-N 1 0 352.390 3.924 20 5 FHBDRO Cc1c([C@H](C)[NH2+]CC2CCN(CC(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000188516851 940001492 /nfs/dbraw/zinc/00/14/92/940001492.db2.gz FPWNEAVMDQJYEF-ZDUSSCGKSA-N 1 0 359.392 3.828 20 5 FHBDRO Cc1c([C@@H](C)[NH2+]CC2CCN(CC(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000188516826 940001496 /nfs/dbraw/zinc/00/14/96/940001496.db2.gz FPWNEAVMDQJYEF-CYBMUJFWSA-N 1 0 359.392 3.828 20 5 FHBDRO C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc(C[NH3+])cc3)cc2[N+](=O)[O-])C1 ZINC000427332459 945290491 /nfs/dbraw/zinc/29/04/91/945290491.db2.gz VBWPWKOFOVMVQL-CQSZACIVSA-N 1 0 368.437 3.542 20 5 FHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411491650 940053993 /nfs/dbraw/zinc/05/39/93/940053993.db2.gz BBBDGCZRIWHGSP-PYIJOLGTSA-N 1 0 371.481 3.562 20 5 FHBDRO CC(C)(COCc1ccccc1)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411675711 940087938 /nfs/dbraw/zinc/08/79/38/940087938.db2.gz XFLMXIPVGJSKPP-UHFFFAOYSA-N 1 0 371.437 3.508 20 5 FHBDRO CC(C)[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000236701671 940163292 /nfs/dbraw/zinc/16/32/92/940163292.db2.gz GBTPPYFIJCHUKK-GOSISDBHSA-N 1 0 359.495 3.829 20 5 FHBDRO Cn1nc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000612829277 940300219 /nfs/dbraw/zinc/30/02/19/940300219.db2.gz NCLAKCBLEDPUPS-MAUKXSAKSA-N 1 0 364.449 3.983 20 5 FHBDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)OC)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000181687926 945316273 /nfs/dbraw/zinc/31/62/73/945316273.db2.gz WEOKSGQKAHGHCP-QGZVFWFLSA-N 1 0 358.394 3.631 20 5 FHBDRO C[C@@H](C(=O)N(C)C(C)(C)C[NH+]1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000580029367 940435566 /nfs/dbraw/zinc/43/55/66/940435566.db2.gz IPUWVYJOOFYSNV-MRXNPFEDSA-N 1 0 361.486 3.811 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)C1CC1 ZINC000177805137 940446759 /nfs/dbraw/zinc/44/67/59/940446759.db2.gz OCUGIWKJHZDZKF-HXUWFJFHSA-N 1 0 362.433 3.891 20 5 FHBDRO O=[N+]([O-])c1cccc([C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)c1 ZINC000180095175 940468283 /nfs/dbraw/zinc/46/82/83/940468283.db2.gz QWLJLZDONMSOLU-IERDGZPVSA-N 1 0 351.450 3.758 20 5 FHBDRO COc1cccc([C@H](C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)N(C)C)c1 ZINC000120112507 940485483 /nfs/dbraw/zinc/48/54/83/940485483.db2.gz HCCOKFGXRXIHMJ-QRWLVFNGSA-N 1 0 357.454 3.865 20 5 FHBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000581305128 940501074 /nfs/dbraw/zinc/50/10/74/940501074.db2.gz NEBRSJWVUKCAGB-AWEZNQCLSA-N 1 0 373.478 3.849 20 5 FHBDRO CC[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000511479152 940593617 /nfs/dbraw/zinc/59/36/17/940593617.db2.gz PXYOFXMLKVOYBN-GFCCVEGCSA-N 1 0 362.348 3.919 20 5 FHBDRO Cc1oc2ccccc2c1CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000613338499 940611336 /nfs/dbraw/zinc/61/13/36/940611336.db2.gz IRUJKBBOKZNWRQ-UHFFFAOYSA-N 1 0 368.389 3.753 20 5 FHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)[C@@H](C)c1ccccc1 ZINC000613390064 940662437 /nfs/dbraw/zinc/66/24/37/940662437.db2.gz VWCPBGQBYXJBHY-HNAYVOBHSA-N 1 0 358.438 3.636 20 5 FHBDRO Cc1c[nH+]ccc1N1CCC(c2nc(-c3ccc([N+](=O)[O-])s3)no2)CC1 ZINC000582339916 940666717 /nfs/dbraw/zinc/66/67/17/940666717.db2.gz PSWPBKKZGHKJSZ-UHFFFAOYSA-N 1 0 371.422 3.794 20 5 FHBDRO COc1cc(CN2CC3(CCOCC3)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000412015865 940691963 /nfs/dbraw/zinc/69/19/63/940691963.db2.gz UILNKANSFWLGRB-HXUWFJFHSA-N 1 0 368.433 3.957 20 5 FHBDRO Cn1ccnc1[C@@H]([NH2+]C1CCC(C(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000414193299 940740086 /nfs/dbraw/zinc/74/00/86/940740086.db2.gz SZTBOIOCNLUQGX-XUJLQICISA-N 1 0 364.396 3.831 20 5 FHBDRO CCC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)(C)C ZINC000414196152 940745310 /nfs/dbraw/zinc/74/53/10/940745310.db2.gz WWKRDPZDZOTPCF-BLLLJJGKSA-N 1 0 351.447 3.735 20 5 FHBDRO CCC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)(C)C ZINC000414196153 940745529 /nfs/dbraw/zinc/74/55/29/940745529.db2.gz WWKRDPZDZOTPCF-LRDDRELGSA-N 1 0 351.447 3.735 20 5 FHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000180220554 940829118 /nfs/dbraw/zinc/82/91/18/940829118.db2.gz CSYSNZMEOHVXBX-KGLIPLIRSA-N 1 0 365.499 3.650 20 5 FHBDRO C[C@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000180417893 941004612 /nfs/dbraw/zinc/00/46/12/941004612.db2.gz SZCOZUCOGWNZPW-XOBRGWDASA-N 1 0 353.422 3.513 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000452058842 941009649 /nfs/dbraw/zinc/00/96/49/941009649.db2.gz JKOXDBBERPRFHN-KRWDZBQOSA-N 1 0 362.451 3.658 20 5 FHBDRO CC(C)[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000180435521 941014556 /nfs/dbraw/zinc/01/45/56/941014556.db2.gz LYAOFONAUSXDHH-MGPUTAFESA-N 1 0 355.438 3.759 20 5 FHBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180438917 941014723 /nfs/dbraw/zinc/01/47/23/941014723.db2.gz GTCUWBWLRMQTMS-NSHDSACASA-N 1 0 367.327 3.903 20 5 FHBDRO CCC[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000180444174 941017559 /nfs/dbraw/zinc/01/75/59/941017559.db2.gz SMLVWNPSSCMJFJ-HNAYVOBHSA-N 1 0 355.438 3.903 20 5 FHBDRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000180450797 941018388 /nfs/dbraw/zinc/01/83/88/941018388.db2.gz HJXCAQGZDUPEGA-STQMWFEESA-N 1 0 361.829 3.776 20 5 FHBDRO Cc1cccc([C@H](C)[NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000452081065 941089862 /nfs/dbraw/zinc/08/98/62/941089862.db2.gz HVQRQSODMGBXPP-AWEZNQCLSA-N 1 0 355.394 3.552 20 5 FHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000181380882 941141134 /nfs/dbraw/zinc/14/11/34/941141134.db2.gz ZSVQCXRPESHXJX-CQSZACIVSA-N 1 0 365.499 3.509 20 5 FHBDRO C[C@@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000189053380 941145567 /nfs/dbraw/zinc/14/55/67/941145567.db2.gz QJQUYXKNORURIN-CQSZACIVSA-N 1 0 354.385 3.830 20 5 FHBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000311251125 941151621 /nfs/dbraw/zinc/15/16/21/941151621.db2.gz PDPQELFAEFPTIJ-OAHLLOKOSA-N 1 0 373.840 3.643 20 5 FHBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000189483581 941158931 /nfs/dbraw/zinc/15/89/31/941158931.db2.gz IXHUECBZAHJSRV-RDJZCZTQSA-N 1 0 365.499 3.886 20 5 FHBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccccc1C(F)(F)F ZINC000181445060 941260320 /nfs/dbraw/zinc/26/03/20/941260320.db2.gz FEYIQMYWWWQTSR-NWDGAFQWSA-N 1 0 356.348 3.592 20 5 FHBDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000181445097 941260341 /nfs/dbraw/zinc/26/03/41/941260341.db2.gz FEYIQMYWWWQTSR-RYUDHWBXSA-N 1 0 356.348 3.592 20 5 FHBDRO COc1cccc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000311405452 941281393 /nfs/dbraw/zinc/28/13/93/941281393.db2.gz WEMFAKGPZAINAA-KRWDZBQOSA-N 1 0 355.438 3.928 20 5 FHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2c[nH]c3ccccc23)n1 ZINC000472632876 941291557 /nfs/dbraw/zinc/29/15/57/941291557.db2.gz WIGPGDJWNSDTFG-MSOLQXFVSA-N 1 0 353.426 3.589 20 5 FHBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(-n2ccnc2)c1 ZINC000189913665 941299245 /nfs/dbraw/zinc/29/92/45/941299245.db2.gz GYOQBAZTEJJUSJ-HNNXBMFYSA-N 1 0 352.394 3.510 20 5 FHBDRO CC(C)c1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000189922203 941303660 /nfs/dbraw/zinc/30/36/60/941303660.db2.gz CDMXEWUFLYEGHP-INIZCTEOSA-N 1 0 359.470 3.666 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3C[C@@H](C)O[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414516394 941370545 /nfs/dbraw/zinc/37/05/45/941370545.db2.gz OTUKKKIOWPGEBU-RDBSUJKOSA-N 1 0 360.410 3.767 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000414535461 941375445 /nfs/dbraw/zinc/37/54/45/941375445.db2.gz IFCIUJJEACTACA-HXUWFJFHSA-N 1 0 370.449 3.523 20 5 FHBDRO Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000414545661 941376844 /nfs/dbraw/zinc/37/68/44/941376844.db2.gz XEXCTVQCTXJMSN-FQEVSTJZSA-N 1 0 370.449 3.523 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(CN(C3CC3)[C@H]3CC[NH2+]C3)o2)c(Cl)c1 ZINC000414654318 941432422 /nfs/dbraw/zinc/43/24/22/941432422.db2.gz BWWCWSZMTIRRLD-AWEZNQCLSA-N 1 0 361.829 3.835 20 5 FHBDRO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](C)c1ccccc1 ZINC000181533922 941528586 /nfs/dbraw/zinc/52/85/86/941528586.db2.gz MDZZOFWRJBZBAH-UONOGXRCSA-N 1 0 352.394 3.927 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3C[NH2+]CCC3(F)F)o2)c(Cl)c1 ZINC000414997303 941534309 /nfs/dbraw/zinc/53/43/09/941534309.db2.gz HLPVRNLRUHUBGD-OAHLLOKOSA-N 1 0 371.771 3.595 20 5 FHBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000181537739 941538158 /nfs/dbraw/zinc/53/81/58/941538158.db2.gz CSTUKUGQXNWXJQ-KBPBESRZSA-N 1 0 352.394 3.927 20 5 FHBDRO CC(C)[N@H+](C)CCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000236652386 941592813 /nfs/dbraw/zinc/59/28/13/941592813.db2.gz MCBAMMJGAVYOEI-UHFFFAOYSA-N 1 0 361.417 3.956 20 5 FHBDRO CCC[NH2+]CCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415183337 941661683 /nfs/dbraw/zinc/66/16/83/941661683.db2.gz CJXHBHBTXQMXQL-UHFFFAOYSA-N 1 0 358.398 3.508 20 5 FHBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415197786 941668781 /nfs/dbraw/zinc/66/87/81/941668781.db2.gz TZAWICYGJUOQTP-KRWDZBQOSA-N 1 0 370.409 3.649 20 5 FHBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2ccccc2c1I ZINC001225385497 941696313 /nfs/dbraw/zinc/69/63/13/941696313.db2.gz VSTLZFBKRDFTGU-LBPRGKRZSA-N 1 0 370.254 3.918 20 5 FHBDRO Cc1ccc(C(=O)NC2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000051098649 941705252 /nfs/dbraw/zinc/70/52/52/941705252.db2.gz GMHGWUIHAHOTFA-AWEZNQCLSA-N 1 0 373.478 3.920 20 5 FHBDRO O=C(NCCCCCCC[NH+]1CCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000729340256 941724121 /nfs/dbraw/zinc/72/41/21/941724121.db2.gz HPVGOKKUFKZPCS-UHFFFAOYSA-N 1 0 372.469 3.852 20 5 FHBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415293205 941734207 /nfs/dbraw/zinc/73/42/07/941734207.db2.gz IOXBFTPXVUVOFV-INIZCTEOSA-N 1 0 356.426 3.596 20 5 FHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473521431 941743843 /nfs/dbraw/zinc/74/38/43/941743843.db2.gz OVGAQXSBOOAPIU-UXLLHSPISA-N 1 0 354.454 3.985 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000415306915 941743947 /nfs/dbraw/zinc/74/39/47/941743947.db2.gz YSGWBGPTUGZELS-INIZCTEOSA-N 1 0 356.426 3.813 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000513261188 941814081 /nfs/dbraw/zinc/81/40/81/941814081.db2.gz MCTCQNMHQWPKJF-AUUYWEPGSA-N 1 0 353.422 3.925 20 5 FHBDRO COc1ccccc1O[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000513361367 941869444 /nfs/dbraw/zinc/86/94/44/941869444.db2.gz JNSFQIXHMFTEKZ-GOSISDBHSA-N 1 0 372.421 3.526 20 5 FHBDRO COc1ccccc1O[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000513386810 941884705 /nfs/dbraw/zinc/88/47/05/941884705.db2.gz QQFOGZUFFQRNEA-INIZCTEOSA-N 1 0 372.421 3.526 20 5 FHBDRO CC(C)[C@@H](C)[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000433782230 941888293 /nfs/dbraw/zinc/88/82/93/941888293.db2.gz HRLRDQGVJRBHEU-GFCCVEGCSA-N 1 0 362.455 3.633 20 5 FHBDRO Cc1cc(N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000433788364 941897818 /nfs/dbraw/zinc/89/78/18/941897818.db2.gz FESROQLKMSHUMU-BZNIZROVSA-N 1 0 369.343 3.591 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000182618891 941947736 /nfs/dbraw/zinc/94/77/36/941947736.db2.gz QOHLBEJDFYZGGE-KRWDZBQOSA-N 1 0 369.465 3.933 20 5 FHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c2c(c1)COCO2 ZINC000513461201 941948868 /nfs/dbraw/zinc/94/88/68/941948868.db2.gz KSFSNQUAIDEDQF-AWEZNQCLSA-N 1 0 358.369 3.590 20 5 FHBDRO CCCCCNC(=O)C1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182653165 941958389 /nfs/dbraw/zinc/95/83/89/941958389.db2.gz HUKLTLKTDKQJMH-INIZCTEOSA-N 1 0 361.486 3.983 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000182720477 941961963 /nfs/dbraw/zinc/96/19/63/941961963.db2.gz PXGZTSPJTVGPAK-JKSUJKDBSA-N 1 0 361.486 3.837 20 5 FHBDRO CCCN(CC[NH+]1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000513506820 941969775 /nfs/dbraw/zinc/96/97/75/941969775.db2.gz CJURETFHSXEHKM-UHFFFAOYSA-N 1 0 354.838 3.588 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000415656899 941976385 /nfs/dbraw/zinc/97/63/85/941976385.db2.gz LWJNLVQULBSHEG-MRXNPFEDSA-N 1 0 372.425 3.595 20 5 FHBDRO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000412257057 941992973 /nfs/dbraw/zinc/99/29/73/941992973.db2.gz MZNBKWGAPZPJJZ-ZVEHZALQSA-N 1 0 367.449 3.506 20 5 FHBDRO CC[NH2+]CC1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000415699948 942006921 /nfs/dbraw/zinc/00/69/21/942006921.db2.gz KSEFZDKRFMHEKD-UHFFFAOYSA-N 1 0 362.474 3.746 20 5 FHBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000513548070 942007039 /nfs/dbraw/zinc/00/70/39/942007039.db2.gz IJQUHVMIJQANFH-UHFFFAOYSA-N 1 0 374.828 3.596 20 5 FHBDRO CC(C)(C)c1ccc(NC(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC000415703261 942014647 /nfs/dbraw/zinc/01/46/47/942014647.db2.gz QQKFWXBXBLFTMT-UHFFFAOYSA-N 1 0 368.437 3.817 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000415733120 942027677 /nfs/dbraw/zinc/02/76/77/942027677.db2.gz ARPQNCWHKHIKEI-QAPCUYQASA-N 1 0 360.458 3.543 20 5 FHBDRO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102425424 942059189 /nfs/dbraw/zinc/05/91/89/942059189.db2.gz KRBOWUNSWQYVIH-INIZCTEOSA-N 1 0 361.467 3.574 20 5 FHBDRO Cc1cc(N2CC[C@@H](C(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000541190179 942163463 /nfs/dbraw/zinc/16/34/63/942163463.db2.gz LFNBXAAFHWWKDX-CYBMUJFWSA-N 1 0 357.410 3.619 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000159049492 942249805 /nfs/dbraw/zinc/24/98/05/942249805.db2.gz KRDGEFOYJGQSLF-KGLIPLIRSA-N 1 0 362.451 3.719 20 5 FHBDRO O=C(CC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420957456 942276350 /nfs/dbraw/zinc/27/63/50/942276350.db2.gz ZOBSUSPVUIHYSM-LBPRGKRZSA-N 1 0 359.348 3.588 20 5 FHBDRO C[NH+](C)[C@H](CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1CC1 ZINC000237029826 942314567 /nfs/dbraw/zinc/31/45/67/942314567.db2.gz OELUVVCDIFFNMK-LJQANCHMSA-N 1 0 373.428 3.956 20 5 FHBDRO CSc1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000188090253 942333760 /nfs/dbraw/zinc/33/37/60/942333760.db2.gz WXHUBDYYUNPXGC-INIZCTEOSA-N 1 0 373.478 3.658 20 5 FHBDRO COc1ccc(OCC[NH2+][C@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000181580131 942340950 /nfs/dbraw/zinc/34/09/50/942340950.db2.gz GNUZCMJAHJEYGI-LLVKDONJSA-N 1 0 352.337 3.611 20 5 FHBDRO CC[C@@H](NC(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000366440046 942346344 /nfs/dbraw/zinc/34/63/44/942346344.db2.gz UBBQBIXIRMBKMY-DNVCBOLYSA-N 1 0 374.485 3.704 20 5 FHBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000501249858 942364178 /nfs/dbraw/zinc/36/41/78/942364178.db2.gz ULWFRYDSVUJUDQ-UHFFFAOYSA-N 1 0 372.469 3.660 20 5 FHBDRO CCNC(=O)c1cccc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000468648358 942376207 /nfs/dbraw/zinc/37/62/07/942376207.db2.gz PCEFYHDJWZTUIS-XNTDXEJSSA-N 1 0 353.422 3.538 20 5 FHBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000502443422 942455572 /nfs/dbraw/zinc/45/55/72/942455572.db2.gz GKGBELWPAATWBB-CQSZACIVSA-N 1 0 353.850 3.633 20 5 FHBDRO CC(C)[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(F)cc1 ZINC000502504048 942482561 /nfs/dbraw/zinc/48/25/61/942482561.db2.gz YTMWFHKIXLNLKH-MOPGFXCFSA-N 1 0 371.412 3.826 20 5 FHBDRO C[NH+](C)CCCC1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413217885 942491248 /nfs/dbraw/zinc/49/12/48/942491248.db2.gz FJTGTMQLIDNXBY-UHFFFAOYSA-N 1 0 360.380 3.567 20 5 FHBDRO COc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000513827605 942542589 /nfs/dbraw/zinc/54/25/89/942542589.db2.gz SAQMMAGHIWWXSL-CRAIPNDOSA-N 1 0 355.438 3.542 20 5 FHBDRO COc1cccc(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000513827607 942542699 /nfs/dbraw/zinc/54/26/99/942542699.db2.gz SAQMMAGHIWWXSL-QAPCUYQASA-N 1 0 355.438 3.542 20 5 FHBDRO COc1cccc([C@@H]2[C@@H](Nc3ncc([N+](=O)[O-])cc3F)CC[N@@H+]2C2CC2)c1 ZINC000413246426 942560978 /nfs/dbraw/zinc/56/09/78/942560978.db2.gz ZNDRTHQCHVRMNN-ZWKOTPCHSA-N 1 0 372.400 3.527 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000104700341 942597230 /nfs/dbraw/zinc/59/72/30/942597230.db2.gz HFPZHKJAKFWDMF-FQEVSTJZSA-N 1 0 353.422 3.973 20 5 FHBDRO O=[N+]([O-])c1ccc2ncnc(N[C@H]3CCC[N@H+](Cc4ccccc4)C3)c2c1 ZINC000312139533 942625364 /nfs/dbraw/zinc/62/53/64/942625364.db2.gz TXJXGCZYIIPSJI-INIZCTEOSA-N 1 0 363.421 3.615 20 5 FHBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000501758452 942661621 /nfs/dbraw/zinc/66/16/21/942661621.db2.gz YFKMFJZVKTXITG-BETUJISGSA-N 1 0 368.865 3.738 20 5 FHBDRO Cc1ccc([C@@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000541391914 942758520 /nfs/dbraw/zinc/75/85/20/942758520.db2.gz DDJFNUNSITUFBF-QGZVFWFLSA-N 1 0 353.422 3.721 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000421740735 942780979 /nfs/dbraw/zinc/78/09/79/942780979.db2.gz LOJCYKHZCIWRIK-UHFFFAOYSA-N 1 0 367.449 3.560 20 5 FHBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000421746123 942793337 /nfs/dbraw/zinc/79/33/37/942793337.db2.gz AMKBSSFEUMEJRI-UHFFFAOYSA-N 1 0 355.438 3.593 20 5 FHBDRO CON1CCC([NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000421875786 942860406 /nfs/dbraw/zinc/86/04/06/942860406.db2.gz KCTLXEHGOHKHRI-ZDUSSCGKSA-N 1 0 361.467 4.000 20 5 FHBDRO CCCN1C[C@H](C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000421880193 942862363 /nfs/dbraw/zinc/86/23/63/942862363.db2.gz OEEOSDDSWZAXJO-HRAATJIYSA-N 1 0 367.449 3.532 20 5 FHBDRO CCCN1C[C@@H](C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000421880195 942862684 /nfs/dbraw/zinc/86/26/84/942862684.db2.gz OEEOSDDSWZAXJO-IERDGZPVSA-N 1 0 367.449 3.532 20 5 FHBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000412379074 942863106 /nfs/dbraw/zinc/86/31/06/942863106.db2.gz NJKIZGFDRJPJOD-XUVXKRRUSA-N 1 0 365.433 3.886 20 5 FHBDRO Cc1ccc([C@]2(C)CC[N@@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000434747004 942937739 /nfs/dbraw/zinc/93/77/39/942937739.db2.gz NSYBFJNVMRGYGS-OAQYLSRUSA-N 1 0 367.449 3.530 20 5 FHBDRO COc1cc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000425231664 943024269 /nfs/dbraw/zinc/02/42/69/943024269.db2.gz DUNKOZUDUKONKE-ZDUSSCGKSA-N 1 0 374.416 3.775 20 5 FHBDRO COc1cccc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000425245261 943048848 /nfs/dbraw/zinc/04/88/48/943048848.db2.gz WJBWBTPYGFRHKF-AWEZNQCLSA-N 1 0 356.426 3.636 20 5 FHBDRO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000414656396 943117267 /nfs/dbraw/zinc/11/72/67/943117267.db2.gz FOVKQOFRIBGDDV-NVXWUHKLSA-N 1 0 354.454 3.532 20 5 FHBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000505615260 943194286 /nfs/dbraw/zinc/19/42/86/943194286.db2.gz RWYFMMSFLZVPTH-UHFFFAOYSA-N 1 0 361.392 3.581 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3c(Br)cccc3C2)cc1 ZINC000503561940 943249431 /nfs/dbraw/zinc/24/94/31/943249431.db2.gz HDYFTGZGRVUIPD-UHFFFAOYSA-N 1 0 361.239 3.958 20 5 FHBDRO C[NH+]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000435230965 943268733 /nfs/dbraw/zinc/26/87/33/943268733.db2.gz FKRJCSMHIRHFOD-UHFFFAOYSA-N 1 0 361.829 3.788 20 5 FHBDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000435234966 943271909 /nfs/dbraw/zinc/27/19/09/943271909.db2.gz BPORYYRMFIMZIU-HNNXBMFYSA-N 1 0 358.394 3.630 20 5 FHBDRO C[C@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000435369031 943363386 /nfs/dbraw/zinc/36/33/86/943363386.db2.gz CNPFVFSSNYQWHJ-SUMWQHHRSA-N 1 0 359.401 3.695 20 5 FHBDRO C[C@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000435369029 943363599 /nfs/dbraw/zinc/36/35/99/943363599.db2.gz CNPFVFSSNYQWHJ-GUYCJALGSA-N 1 0 359.401 3.695 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425368363 943381404 /nfs/dbraw/zinc/38/14/04/943381404.db2.gz FBFYKSIWRQTHME-LJQANCHMSA-N 1 0 360.454 3.775 20 5 FHBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000549466344 943406467 /nfs/dbraw/zinc/40/64/67/943406467.db2.gz BTKKMPJLHOWQPY-ZDUSSCGKSA-N 1 0 359.392 3.777 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(N3CCCC3)CCOCC1)CCCC2 ZINC000417301381 943495129 /nfs/dbraw/zinc/49/51/29/943495129.db2.gz BJQURLCCXYELDK-HXUWFJFHSA-N 1 0 373.497 3.597 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCOCC1CCOCC1)CCCC2 ZINC000417310800 943507762 /nfs/dbraw/zinc/50/77/62/943507762.db2.gz KXCYSWYMTAWNDC-HXUWFJFHSA-N 1 0 362.470 3.785 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)CCCC2 ZINC000417322078 943514562 /nfs/dbraw/zinc/51/45/62/943514562.db2.gz MNKBKYBBTJDHLY-CXAGYDPISA-N 1 0 371.403 3.836 20 5 FHBDRO CC(C)CCSc1ccc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000504179178 943529750 /nfs/dbraw/zinc/52/97/50/943529750.db2.gz VNYDPQUKSGHBSR-ZIAGYGMSSA-N 1 0 365.499 3.542 20 5 FHBDRO CCOc1ccc([C@@H](C)NC[C@@H]([NH3+])c2ccccc2CC)cc1[N+](=O)[O-] ZINC000423513086 943542110 /nfs/dbraw/zinc/54/21/10/943542110.db2.gz VAZADTYVRRBQMQ-RDTXWAMCSA-N 1 0 357.454 3.907 20 5 FHBDRO CCC[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000417384928 943562578 /nfs/dbraw/zinc/56/25/78/943562578.db2.gz QNKVJQHAOAJVID-QGZVFWFLSA-N 1 0 350.459 3.593 20 5 FHBDRO CC(C)Oc1ccc([C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000515250260 943586033 /nfs/dbraw/zinc/58/60/33/943586033.db2.gz XTBMDCWJAUYQIP-QGZVFWFLSA-N 1 0 363.483 3.836 20 5 FHBDRO CC(C)c1ccc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423968346 943651639 /nfs/dbraw/zinc/65/16/39/943651639.db2.gz KFSYNXJOGJQCKM-SFHVURJKSA-N 1 0 355.438 3.928 20 5 FHBDRO COc1cc(C[NH2+][C@@H]2C[C@H]2C2CCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000424200072 943784430 /nfs/dbraw/zinc/78/44/30/943784430.db2.gz QZFHXJRFQGFAAQ-QWHCGFSZSA-N 1 0 374.359 3.823 20 5 FHBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(OC)c(OC)c1 ZINC000504763694 943787897 /nfs/dbraw/zinc/78/78/97/943787897.db2.gz XLSCZYICWHQIKR-UHFFFAOYSA-N 1 0 360.410 3.513 20 5 FHBDRO Cc1c([C@@H](C)[NH2+]CCNC(=O)CCCc2ccccc2)cccc1[N+](=O)[O-] ZINC000424327169 943845959 /nfs/dbraw/zinc/84/59/59/943845959.db2.gz OEBKJBVHBHWCOH-QGZVFWFLSA-N 1 0 369.465 3.693 20 5 FHBDRO [NH3+]C1(c2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)CCCCC1 ZINC000424338776 943869758 /nfs/dbraw/zinc/86/97/58/943869758.db2.gz AZPWEMHZRLDVKB-UHFFFAOYSA-N 1 0 356.304 3.782 20 5 FHBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000515426521 943871037 /nfs/dbraw/zinc/87/10/37/943871037.db2.gz GNERBWRRPSTGJC-AWEZNQCLSA-N 1 0 373.478 3.818 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccc(OC)n1 ZINC000504895642 943893417 /nfs/dbraw/zinc/89/34/17/943893417.db2.gz VSZWMEJNWSRCMD-CQSZACIVSA-N 1 0 361.467 3.701 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)COCC(F)(F)F)cc1[N+](=O)[O-] ZINC000504922062 943900580 /nfs/dbraw/zinc/90/05/80/943900580.db2.gz XDPJDMLXGSJJAB-WDEREUQCSA-N 1 0 350.337 3.612 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCn1nc(C)cc1C ZINC000504905393 943903045 /nfs/dbraw/zinc/90/30/45/943903045.db2.gz IBEITVJQMXOUED-INIZCTEOSA-N 1 0 362.499 3.959 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000504905819 943903094 /nfs/dbraw/zinc/90/30/94/943903094.db2.gz OFPVANYEWIMMOD-BEFAXECRSA-N 1 0 357.454 3.947 20 5 FHBDRO Cc1cc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C(C)C)ccc1[N+](=O)[O-] ZINC000092655561 944131864 /nfs/dbraw/zinc/13/18/64/944131864.db2.gz ZQRULGVFKLUUJK-ZDUSSCGKSA-N 1 0 361.471 3.694 20 5 FHBDRO C[N@@H+]1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000425917742 944159795 /nfs/dbraw/zinc/15/97/95/944159795.db2.gz GWWSYADPXXHIKQ-UHFFFAOYSA-N 1 0 371.462 3.524 20 5 FHBDRO C[S@@](=O)C1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000436287293 944165638 /nfs/dbraw/zinc/16/56/38/944165638.db2.gz UHGRXIAXBLRHKN-IQGLISFBSA-N 1 0 358.463 3.575 20 5 FHBDRO CSc1ccc(CC[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000436296558 944181101 /nfs/dbraw/zinc/18/11/01/944181101.db2.gz KDMLDCODJQFWHV-AWEZNQCLSA-N 1 0 373.478 3.866 20 5 FHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000436298471 944182466 /nfs/dbraw/zinc/18/24/66/944182466.db2.gz ZSWZVUAGXSTQTQ-YEWWUXTCSA-N 1 0 371.412 3.987 20 5 FHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000436308502 944205133 /nfs/dbraw/zinc/20/51/33/944205133.db2.gz UKGNGHYWYBTXDM-ZVZYQTTQSA-N 1 0 353.422 3.848 20 5 FHBDRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000515847026 944270992 /nfs/dbraw/zinc/27/09/92/944270992.db2.gz RMQUJRSQGJRILQ-YJBOKZPZSA-N 1 0 364.490 3.712 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]CC3(C)CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000500229704 944306706 /nfs/dbraw/zinc/30/67/06/944306706.db2.gz OEAPKKVJMVCAFU-UHFFFAOYSA-N 1 0 360.410 3.770 20 5 FHBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000506482497 944332582 /nfs/dbraw/zinc/33/25/82/944332582.db2.gz TVHHDXYCVYMAON-WUTDNEBXSA-N 1 0 351.450 3.814 20 5 FHBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000515918636 944342894 /nfs/dbraw/zinc/34/28/94/944342894.db2.gz MRBKKVQTWPAFCW-MRXNPFEDSA-N 1 0 371.437 3.736 20 5 FHBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438138146 944363331 /nfs/dbraw/zinc/36/33/31/944363331.db2.gz IYYJYQSLHOZOBX-GOSISDBHSA-N 1 0 374.485 3.533 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000506206224 944509286 /nfs/dbraw/zinc/50/92/86/944509286.db2.gz MGNLBIOXLACZSU-UHFFFAOYSA-N 1 0 365.499 3.511 20 5 FHBDRO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000425993012 944557808 /nfs/dbraw/zinc/55/78/08/944557808.db2.gz JDNBEOJUGHGDJQ-DOTOQJQBSA-N 1 0 355.438 3.565 20 5 FHBDRO Cc1cc2cc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)oc2cc1C ZINC000425993610 944567780 /nfs/dbraw/zinc/56/77/80/944567780.db2.gz CKXWSZGQWIMNRM-UHFFFAOYSA-N 1 0 354.410 3.991 20 5 FHBDRO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000425998163 944586161 /nfs/dbraw/zinc/58/61/61/944586161.db2.gz GHKNJJONXJKSRJ-ZFWWWQNUSA-N 1 0 360.385 3.729 20 5 FHBDRO C[NH+](C)CCOc1ccc(CNc2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000506857349 944589672 /nfs/dbraw/zinc/58/96/72/944589672.db2.gz PAXYNQVENGMCCW-UHFFFAOYSA-N 1 0 366.421 3.696 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000517791940 944617999 /nfs/dbraw/zinc/61/79/99/944617999.db2.gz VCYSMJIZGVUVIV-UHFFFAOYSA-N 1 0 356.357 3.821 20 5 FHBDRO CCC(CC)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000517806950 944631934 /nfs/dbraw/zinc/63/19/34/944631934.db2.gz WOVPRLOUUFKGDA-HNNXBMFYSA-N 1 0 356.854 3.736 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000066854659 944641390 /nfs/dbraw/zinc/64/13/90/944641390.db2.gz MLQCEIFUMUHMEG-OAHLLOKOSA-N 1 0 371.437 3.668 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000438498696 944694722 /nfs/dbraw/zinc/69/47/22/944694722.db2.gz FVFGJFBIQSNDGL-OAQYLSRUSA-N 1 0 367.449 3.895 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](O)c2c(F)cccc2F)o1 ZINC000123967693 944749753 /nfs/dbraw/zinc/74/97/53/944749753.db2.gz PIMBAOPYHUNPNC-KRWDZBQOSA-N 1 0 374.343 3.956 20 5 FHBDRO CCCC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CCC1 ZINC000541593244 944757135 /nfs/dbraw/zinc/75/71/35/944757135.db2.gz YDQCBYHIDHXHJN-BBRMVZONSA-N 1 0 363.458 3.879 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C)(C(C)C)CC1 ZINC000426726370 944761035 /nfs/dbraw/zinc/76/10/35/944761035.db2.gz JCANWDMBSOEOAP-UHFFFAOYSA-N 1 0 363.458 3.690 20 5 FHBDRO CC(C)C1(C)CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000426781853 944798813 /nfs/dbraw/zinc/79/88/13/944798813.db2.gz CJVWXDGQZFHVKR-UHFFFAOYSA-N 1 0 361.442 3.651 20 5 FHBDRO COc1cc(C[NH+]2CCC(c3ccc(O)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000506659850 944911226 /nfs/dbraw/zinc/91/12/26/944911226.db2.gz GNTGKLVDWHSGPZ-UHFFFAOYSA-N 1 0 372.421 3.697 20 5 FHBDRO COc1ccc(CCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1OC ZINC000516490271 944935766 /nfs/dbraw/zinc/93/57/66/944935766.db2.gz FXBQULCFQUJNEJ-QGZVFWFLSA-N 1 0 356.422 3.822 20 5 FHBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000437845838 945035178 /nfs/dbraw/zinc/03/51/78/945035178.db2.gz KKTDRCPEGLPMFJ-KRWDZBQOSA-N 1 0 371.437 3.868 20 5 FHBDRO C[C@@H](CO[C@H]1CCOC1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000151258849 945388806 /nfs/dbraw/zinc/38/88/06/945388806.db2.gz DKTQEKSGXXPULK-KBPBESRZSA-N 1 0 362.451 3.607 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000443973374 945390582 /nfs/dbraw/zinc/39/05/82/945390582.db2.gz ZOVWATBJJMKYEE-VNHYZAJKSA-N 1 0 362.474 3.700 20 5 FHBDRO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@H]1CCCCO1 ZINC000106867400 945419082 /nfs/dbraw/zinc/41/90/82/945419082.db2.gz VZGUKCKZNVMVRE-QGZVFWFLSA-N 1 0 363.458 3.513 20 5 FHBDRO [NH3+]CCc1cn(-c2cc3cccnc3c3ncccc23)c2ccc(O)cc12 ZINC001167987328 945513375 /nfs/dbraw/zinc/51/33/75/945513375.db2.gz LRBBLGVMAQMXQM-UHFFFAOYSA-N 1 0 354.413 3.934 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3nccc4sccc43)CC2)cc1 ZINC000519530585 945663410 /nfs/dbraw/zinc/66/34/10/945663410.db2.gz DIVMZTVWIHYPTG-UHFFFAOYSA-N 1 0 368.462 3.569 20 5 FHBDRO C[NH+](C)CC[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(C)(C)C ZINC001126030017 945707956 /nfs/dbraw/zinc/70/79/56/945707956.db2.gz FCBFGTQSRGYTJI-KRWDZBQOSA-N 1 0 363.502 3.989 20 5 FHBDRO C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000519749611 945715771 /nfs/dbraw/zinc/71/57/71/945715771.db2.gz XJLXQNVITAPNQQ-LPHOPBHVSA-N 1 0 360.385 3.792 20 5 FHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107723744 945766919 /nfs/dbraw/zinc/76/69/19/945766919.db2.gz UJKIHPDQUDRFIX-AWEZNQCLSA-N 1 0 366.849 3.730 20 5 FHBDRO C[C@@H]1CCCC[C@@H]1OCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000127148275 945842336 /nfs/dbraw/zinc/84/23/36/945842336.db2.gz CHNPDHNKZMYPQR-UZLBHIALSA-N 1 0 361.486 3.749 20 5 FHBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc(C)cc1[N+](=O)[O-] ZINC000439693200 945881369 /nfs/dbraw/zinc/88/13/69/945881369.db2.gz LYUHTHHAEKRXAS-GOSISDBHSA-N 1 0 354.454 3.647 20 5 FHBDRO C[C@H](NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000108466243 945980819 /nfs/dbraw/zinc/98/08/19/945980819.db2.gz SGACSPOMGUEWKX-HOTGVXAUSA-N 1 0 362.474 3.610 20 5 FHBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000487351187 946015682 /nfs/dbraw/zinc/01/56/82/946015682.db2.gz GCEJDTOTPFDKNZ-CQSZACIVSA-N 1 0 373.478 3.816 20 5 FHBDRO Cc1ccccc1[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549545526 946057448 /nfs/dbraw/zinc/05/74/48/946057448.db2.gz YJLIWLXSTHMAQV-MRXNPFEDSA-N 1 0 354.328 3.745 20 5 FHBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000843764243 946069237 /nfs/dbraw/zinc/06/92/37/946069237.db2.gz KQYJIMZPDCBCQM-UHFFFAOYSA-N 1 0 371.412 3.568 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCCC[C@H]3O)o2)c(Cl)c1 ZINC000074371111 946069737 /nfs/dbraw/zinc/06/97/37/946069737.db2.gz DAPMTPRZKQBQRJ-HZPDHXFCSA-N 1 0 350.802 3.901 20 5 FHBDRO COc1ccccc1[C@H](CNc1cccc(OC)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000475454560 946078541 /nfs/dbraw/zinc/07/85/41/946078541.db2.gz XZNPUPYXNVZVJW-KRWDZBQOSA-N 1 0 371.437 3.861 20 5 FHBDRO O=[N+]([O-])c1ccc(OC2CCN(Cc3nc4cc(F)ccc4o3)CC2)cc1 ZINC000151870168 946094033 /nfs/dbraw/zinc/09/40/33/946094033.db2.gz AIIRUJICQZKMNS-UHFFFAOYSA-N 1 0 371.368 3.919 20 5 FHBDRO CCOc1ccc(NC(=O)C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000444240756 946116998 /nfs/dbraw/zinc/11/69/98/946116998.db2.gz DGGAWPPBKJCSDC-JKIFEVAISA-N 1 0 361.442 3.585 20 5 FHBDRO Cc1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000109305845 946227024 /nfs/dbraw/zinc/22/70/24/946227024.db2.gz SEZZOJHRDGPDMG-GOSISDBHSA-N 1 0 367.449 3.545 20 5 FHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1nn(C)c2ccccc12 ZINC000186478324 946371670 /nfs/dbraw/zinc/37/16/70/946371670.db2.gz AGMFZKGKVDNTQT-HNNXBMFYSA-N 1 0 352.438 3.635 20 5 FHBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@](C)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000438502356 946374786 /nfs/dbraw/zinc/37/47/86/946374786.db2.gz VZRGSXSQYBQZNK-KKSFZXQISA-N 1 0 367.449 3.894 20 5 FHBDRO COCCC1([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CCC1 ZINC000475488455 946418063 /nfs/dbraw/zinc/41/80/63/946418063.db2.gz RNZFYLWBXCHOQI-UHFFFAOYSA-N 1 0 360.410 3.912 20 5 FHBDRO CCCC[NH+]1CCC(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000121363062 946424688 /nfs/dbraw/zinc/42/46/88/946424688.db2.gz ZZALFTXXXALYGT-UHFFFAOYSA-N 1 0 374.485 3.533 20 5 FHBDRO COc1ccc(-c2ccc(CNC3CC[NH+](C(C)C)CC3)o2)c([N+](=O)[O-])c1 ZINC000237424434 946454111 /nfs/dbraw/zinc/45/41/11/946454111.db2.gz AEAYOBNYVNSURJ-UHFFFAOYSA-N 1 0 373.453 3.826 20 5 FHBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000441328008 946458133 /nfs/dbraw/zinc/45/81/33/946458133.db2.gz AOZXAHGTBLDIEL-IBGZPJMESA-N 1 0 370.449 3.902 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]C[C@]3(C)CCCC[C@@H]3O)o2)c([N+](=O)[O-])c1 ZINC000237430740 946458635 /nfs/dbraw/zinc/45/86/35/946458635.db2.gz AIRLFMKUVVTILF-PMACEKPBSA-N 1 0 374.437 3.894 20 5 FHBDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000441356416 946474633 /nfs/dbraw/zinc/47/46/33/946474633.db2.gz PTYZXYVANJOBLA-FQEVSTJZSA-N 1 0 355.438 3.877 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000111700562 946513595 /nfs/dbraw/zinc/51/35/95/946513595.db2.gz QFXVUOMAHXPLOA-HNNXBMFYSA-N 1 0 356.426 3.545 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+](CCO)[C@@H]2CCCSC2)o1 ZINC000475510255 946522963 /nfs/dbraw/zinc/52/29/63/946522963.db2.gz NDVCTOAEKWFCCL-CQSZACIVSA-N 1 0 362.451 3.545 20 5 FHBDRO COc1ccc(OCC[N@H+](C)[C@@H](C)Cc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000441408509 946563091 /nfs/dbraw/zinc/56/30/91/946563091.db2.gz XKSYECGTYGYNHA-HNNXBMFYSA-N 1 0 374.437 3.554 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186231441 946637494 /nfs/dbraw/zinc/63/74/94/946637494.db2.gz UHNQFHIZNLMJSV-UHFFFAOYSA-N 1 0 365.433 3.779 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000475557667 946640001 /nfs/dbraw/zinc/64/00/01/946640001.db2.gz AQBLCSMUPLDUPM-INIZCTEOSA-N 1 0 362.474 3.701 20 5 FHBDRO CCS[C@H]1CCCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000112090127 946658180 /nfs/dbraw/zinc/65/81/80/946658180.db2.gz ZJJCMLRPTQVCPL-INIZCTEOSA-N 1 0 352.456 3.569 20 5 FHBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000843767242 946688829 /nfs/dbraw/zinc/68/88/29/946688829.db2.gz CGJJPVWIBGLPIT-ZIAGYGMSSA-N 1 0 365.449 3.530 20 5 FHBDRO CCSc1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000473148827 946712526 /nfs/dbraw/zinc/71/25/26/946712526.db2.gz RIYAYZXSYCXBDH-HNNXBMFYSA-N 1 0 358.467 3.788 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+]C(C)(C)c1cccs1 ZINC000541639034 946734632 /nfs/dbraw/zinc/73/46/32/946734632.db2.gz LFESEWCFBKPFIY-LLVKDONJSA-N 1 0 363.439 3.517 20 5 FHBDRO C[C@H](N[C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000186639450 946768272 /nfs/dbraw/zinc/76/82/72/946768272.db2.gz CBHHWXXEPLYFDR-ORAYPTAESA-N 1 0 354.385 3.908 20 5 FHBDRO COc1ccccc1[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000093593310 946795476 /nfs/dbraw/zinc/79/54/76/946795476.db2.gz UQZZBLQBJZKHLR-CQSZACIVSA-N 1 0 372.421 3.610 20 5 FHBDRO CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475315905 946878337 /nfs/dbraw/zinc/87/83/37/946878337.db2.gz YJOOJAJKYQHXFC-OAHLLOKOSA-N 1 0 373.840 3.595 20 5 FHBDRO Cc1c(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000129765667 946909211 /nfs/dbraw/zinc/90/92/11/946909211.db2.gz KODLQUZKRXPLOA-KDOFPFPSSA-N 1 0 373.478 3.778 20 5 FHBDRO COCCOCC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000153987054 946913067 /nfs/dbraw/zinc/91/30/67/946913067.db2.gz JJUWZCRCYBSTSJ-CYBMUJFWSA-N 1 0 350.440 3.637 20 5 FHBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000843771473 946927593 /nfs/dbraw/zinc/92/75/93/946927593.db2.gz KZPFXRDAQZCJBB-GDBMZVCRSA-N 1 0 371.412 3.608 20 5 FHBDRO Cc1c([C@@H](C)[NH2+][C@@H](COC(N)=O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000840862425 947069424 /nfs/dbraw/zinc/06/94/24/947069424.db2.gz GGRLTLBETJSADQ-GDBMZVCRSA-N 1 0 357.410 3.674 20 5 FHBDRO Cc1c([C@H](C)[NH2+][C@@H](COC(N)=O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000840862426 947069633 /nfs/dbraw/zinc/06/96/33/947069633.db2.gz GGRLTLBETJSADQ-GOEBONIOSA-N 1 0 357.410 3.674 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCC[C@H]3Cc3ccccc3)nc2c1 ZINC000444685580 947087364 /nfs/dbraw/zinc/08/73/64/947087364.db2.gz SSLJPZPWZHQJIF-RDJZCZTQSA-N 1 0 350.422 3.972 20 5 FHBDRO CC(C)c1ccc(C[N@H+](C)C[C@H](O)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000511959228 947171050 /nfs/dbraw/zinc/17/10/50/947171050.db2.gz XZMODKCMHNAZJW-IBGZPJMESA-N 1 0 372.465 3.728 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)c(NC2CC[NH+](C[C@H]3CCOC3)CC2)c(Cl)c1 ZINC000125074997 947196468 /nfs/dbraw/zinc/19/64/68/947196468.db2.gz XCFDDASDARXRSH-LLVKDONJSA-N 1 0 374.268 3.814 20 5 FHBDRO C[C@@H](c1ccccc1Cl)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248373052 947230896 /nfs/dbraw/zinc/23/08/96/947230896.db2.gz FXBRHKKUBRXHOS-UONOGXRCSA-N 1 0 364.829 3.681 20 5 FHBDRO Cc1ccc(NC(=O)c2ccc(NCC[NH2+]C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000523513879 947326990 /nfs/dbraw/zinc/32/69/90/947326990.db2.gz CJOAPFKMCOPLAW-UHFFFAOYSA-N 1 0 370.453 3.956 20 5 FHBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(OC)cc1 ZINC000181835427 947375700 /nfs/dbraw/zinc/37/57/00/947375700.db2.gz LGHNEKWRWRTXJL-SFHVURJKSA-N 1 0 371.437 3.981 20 5 FHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441451901 947490556 /nfs/dbraw/zinc/49/05/56/947490556.db2.gz WLRHXXAYNMQQGT-QGZVFWFLSA-N 1 0 361.486 3.690 20 5 FHBDRO CCS[C@H]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000072837845 947570193 /nfs/dbraw/zinc/57/01/93/947570193.db2.gz FWTLPJGRGMSPPV-ZBFHGGJFSA-N 1 0 365.499 3.838 20 5 FHBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000843773148 947742543 /nfs/dbraw/zinc/74/25/43/947742543.db2.gz AEDCDKUBOMOGTL-UHFFFAOYSA-N 1 0 365.449 3.818 20 5 FHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000236796563 948026040 /nfs/dbraw/zinc/02/60/40/948026040.db2.gz VSYHPBRJMJHEFA-IBGZPJMESA-N 1 0 355.438 3.812 20 5 FHBDRO C[C@@H]1[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000311929196 948032670 /nfs/dbraw/zinc/03/26/70/948032670.db2.gz FYFDVNYPJJGVNA-DYVFJYSZSA-N 1 0 373.840 3.641 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](O)Cc2ccccc2)o1 ZINC000105492974 948045008 /nfs/dbraw/zinc/04/50/08/948045008.db2.gz KFRJJVWVRPLFCD-MRXNPFEDSA-N 1 0 352.390 3.548 20 5 FHBDRO O=[N+]([O-])c1ccc(NC(=S)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000007585009 948071851 /nfs/dbraw/zinc/07/18/51/948071851.db2.gz JSIZPLXNAZIMDM-MRXNPFEDSA-N 1 0 374.466 3.701 20 5 FHBDRO C/C(=C/C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000785359644 948077072 /nfs/dbraw/zinc/07/70/72/948077072.db2.gz KZSHCYFSLQPPMZ-IFMUVIIVSA-N 1 0 371.412 3.556 20 5 FHBDRO O=[N+]([O-])c1cc(C[NH2+]CCC2CC(O)C2)ccc1Oc1ccc(F)cc1 ZINC000432346073 948181529 /nfs/dbraw/zinc/18/15/29/948181529.db2.gz KMJPNVPJWZDVFI-UHFFFAOYSA-N 1 0 360.385 3.777 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)nc1-c1ccccc1 ZINC000090094488 948507215 /nfs/dbraw/zinc/50/72/15/948507215.db2.gz XKPSOQGJLMUTSA-INIZCTEOSA-N 1 0 352.438 3.579 20 5 FHBDRO COc1ccc(OCC[NH2+][C@@H](C)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000438622318 948568718 /nfs/dbraw/zinc/56/87/18/948568718.db2.gz GPZSLCDASOLYDM-LBPRGKRZSA-N 1 0 350.802 3.986 20 5 FHBDRO C[NH+](C)[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])Cc1ccccc1 ZINC000108105615 206027684 /nfs/dbraw/zinc/02/76/84/206027684.db2.gz DECAQLXWHVONMN-MRXNPFEDSA-N 1 0 350.422 3.728 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000109095073 206044756 /nfs/dbraw/zinc/04/47/56/206044756.db2.gz VAYVCOOURPUPOI-LJQANCHMSA-N 1 0 353.422 3.851 20 5 FHBDRO CC(C)(CO)[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000290940543 567864489 /nfs/dbraw/zinc/86/44/89/567864489.db2.gz PWZWUOROZDYQLW-MRXNPFEDSA-N 1 0 361.467 3.605 20 5 FHBDRO CCCOc1ncccc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000481412894 567906101 /nfs/dbraw/zinc/90/61/01/567906101.db2.gz GYJAVDRKPNLLAT-GOSISDBHSA-N 1 0 355.438 3.890 20 5 FHBDRO COC(=O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000159186883 567907224 /nfs/dbraw/zinc/90/72/24/567907224.db2.gz FWTTUQSBOCFLBE-UHFFFAOYSA-N 1 0 360.435 3.708 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291035137 567985851 /nfs/dbraw/zinc/98/58/51/567985851.db2.gz FRCGFGKMYYSLMK-OAHLLOKOSA-N 1 0 368.437 3.674 20 5 FHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481607650 568064964 /nfs/dbraw/zinc/06/49/64/568064964.db2.gz CWGAGAFMWZCMSY-OAHLLOKOSA-N 1 0 358.413 3.865 20 5 FHBDRO CC[C@H](C[N@H+](CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000481688623 568088806 /nfs/dbraw/zinc/08/88/06/568088806.db2.gz LPJMAWBLEMHOSO-OAHLLOKOSA-N 1 0 355.438 3.709 20 5 FHBDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000181883041 568099867 /nfs/dbraw/zinc/09/98/67/568099867.db2.gz USFASXXTHQHJBH-GFCCVEGCSA-N 1 0 357.801 3.680 20 5 FHBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000481766063 568119600 /nfs/dbraw/zinc/11/96/00/568119600.db2.gz AEOJBYLEOJAUOE-INIZCTEOSA-N 1 0 367.449 3.757 20 5 FHBDRO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1C ZINC000604540786 568309539 /nfs/dbraw/zinc/30/95/39/568309539.db2.gz RAPLMNBOKIMYPZ-HNNXBMFYSA-N 1 0 356.422 3.715 20 5 FHBDRO COc1ncccc1CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000569771868 568422865 /nfs/dbraw/zinc/42/28/65/568422865.db2.gz DMAYMILCWCSAHD-AEFFLSMTSA-N 1 0 355.438 3.542 20 5 FHBDRO C[C@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000569887258 568433868 /nfs/dbraw/zinc/43/38/68/568433868.db2.gz DOTLLPVFDHAGLD-HNNXBMFYSA-N 1 0 353.422 3.933 20 5 FHBDRO Cn1ccnc1[C@H]([NH2+]C1CCC(F)(F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000570470149 568482550 /nfs/dbraw/zinc/48/25/50/568482550.db2.gz BLYIOILEQCPTGD-OAHLLOKOSA-N 1 0 350.369 3.585 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000482243806 568522311 /nfs/dbraw/zinc/52/23/11/568522311.db2.gz RCLQVALJHMKTNF-UHFFFAOYSA-N 1 0 374.441 3.790 20 5 FHBDRO COCOc1ccc(OC)cc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000120403505 568540457 /nfs/dbraw/zinc/54/04/57/568540457.db2.gz SWZBVTOQOLZLPH-CQSZACIVSA-N 1 0 360.410 3.745 20 5 FHBDRO C[C@H]([NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000824544940 608503181 /nfs/dbraw/zinc/50/31/81/608503181.db2.gz ANFAOUPKILXZNU-SGTLLEGYSA-N 1 0 364.409 3.503 20 5 FHBDRO C[C@@H]([NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000824544943 608503439 /nfs/dbraw/zinc/50/34/39/608503439.db2.gz ANFAOUPKILXZNU-XIKOKIGWSA-N 1 0 364.409 3.503 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc1Cl ZINC001165047061 721968459 /nfs/dbraw/zinc/96/84/59/721968459.db2.gz IJIVDECXLXUKKY-CQSZACIVSA-N 1 0 352.866 3.796 20 5 FHBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001165048032 721978692 /nfs/dbraw/zinc/97/86/92/721978692.db2.gz COENTNQTSHJREU-QGZVFWFLSA-N 1 0 354.454 3.988 20 5 FHBDRO CC[NH+](CC)C1CCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)CC1 ZINC001165054529 722007733 /nfs/dbraw/zinc/00/77/33/722007733.db2.gz PGUMNKGODKLBCR-UHFFFAOYSA-N 1 0 363.849 3.502 20 5 FHBDRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000466912103 936336807 /nfs/dbraw/zinc/33/68/07/936336807.db2.gz DDYBQLXDQDDDCC-KRWDZBQOSA-N 1 0 366.417 3.856 20 5 FHBDRO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C)[NH+]2CCCC2)cc1 ZINC000061502336 936379086 /nfs/dbraw/zinc/37/90/86/936379086.db2.gz CQRIKJHMMFDFBG-HXUWFJFHSA-N 1 0 367.449 3.779 20 5 FHBDRO COc1cccc(N2CC[C@@H](C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])C2)c1 ZINC000583094185 937114695 /nfs/dbraw/zinc/11/46/95/937114695.db2.gz SANAZQASRLGVOW-YWZLYKJASA-N 1 0 367.449 3.707 20 5 FHBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000247960678 937124498 /nfs/dbraw/zinc/12/44/98/937124498.db2.gz GFAJFIZROSMVJJ-SYNHAJSKSA-N 1 0 368.481 3.859 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000079556589 937133399 /nfs/dbraw/zinc/13/33/99/937133399.db2.gz DSKJYRQMZDZCEX-AEFFLSMTSA-N 1 0 367.449 3.686 20 5 FHBDRO C/C(=C\C(=O)OC[C@@H]1CCC[N@@H+]1Cc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000784900962 927239717 /nfs/dbraw/zinc/23/97/17/927239717.db2.gz DSUFEFWXCQQNPD-XOVFHRFOSA-N 1 0 370.405 3.799 20 5 FHBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000535945464 937179470 /nfs/dbraw/zinc/17/94/70/937179470.db2.gz LIDCTLLMLAMHQL-PMACEKPBSA-N 1 0 365.437 3.653 20 5 FHBDRO Cc1c(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000186946359 927599874 /nfs/dbraw/zinc/59/98/74/927599874.db2.gz MESUDEIUIUCPGO-UHFFFAOYSA-N 1 0 358.413 3.612 20 5 FHBDRO C[C@@H]([NH2+]C1(CNC(=O)c2ccccc2[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000109697581 927786868 /nfs/dbraw/zinc/78/68/68/927786868.db2.gz BQXVCVXZNAZZPK-MRXNPFEDSA-N 1 0 367.449 3.988 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000430203915 927999808 /nfs/dbraw/zinc/99/98/08/927999808.db2.gz POJNVIOQBHVTDN-UHFFFAOYSA-N 1 0 366.421 3.859 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000430203836 928002447 /nfs/dbraw/zinc/00/24/47/928002447.db2.gz JJGUYZPJHUEQEO-UZLBHIALSA-N 1 0 369.465 3.604 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CCO)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000154291278 928692652 /nfs/dbraw/zinc/69/26/52/928692652.db2.gz AREHDASKTDSDLP-KSSFIOAISA-N 1 0 374.437 3.776 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000157732551 928799205 /nfs/dbraw/zinc/79/92/05/928799205.db2.gz WOXZICXAJDXTPU-KRWDZBQOSA-N 1 0 373.497 3.640 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000274868180 928918501 /nfs/dbraw/zinc/91/85/01/928918501.db2.gz DEKVETCZDKNPFI-HNNXBMFYSA-N 1 0 369.469 3.772 20 5 FHBDRO O=[N+]([O-])c1cnc(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)c2ccccc21 ZINC001167087503 928981277 /nfs/dbraw/zinc/98/12/77/928981277.db2.gz VNYLCLIYXCYMTP-UHFFFAOYSA-N 1 0 362.364 3.872 20 5 FHBDRO C[C@H](C[C@H](O)c1ccccc1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000120596103 929063549 /nfs/dbraw/zinc/06/35/49/929063549.db2.gz UICKXRFKUXRXFG-IERDGZPVSA-N 1 0 369.465 3.665 20 5 FHBDRO COc1ccc(-c2ccncc2)cc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000187206523 929540733 /nfs/dbraw/zinc/54/07/33/929540733.db2.gz VQNIFNJZUKPCSC-UHFFFAOYSA-N 1 0 363.417 3.998 20 5 FHBDRO Nc1c(F)c(NCc2ccccc2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000471240113 929570283 /nfs/dbraw/zinc/57/02/83/929570283.db2.gz FDWOPWBCRDLTSD-UHFFFAOYSA-N 1 0 358.417 3.914 20 5 FHBDRO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000610004475 929775039 /nfs/dbraw/zinc/77/50/39/929775039.db2.gz LQVDJYZIYALUFQ-INIZCTEOSA-N 1 0 372.396 3.708 20 5 FHBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275676340 929834489 /nfs/dbraw/zinc/83/44/89/929834489.db2.gz BTYXXPYWCKLNBV-JLTOFOAXSA-N 1 0 363.461 3.506 20 5 FHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+]1CCCC1 ZINC000134086577 929952510 /nfs/dbraw/zinc/95/25/10/929952510.db2.gz YGUFYZFKJYQLNG-UHFFFAOYSA-N 1 0 365.499 3.511 20 5 FHBDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccco1 ZINC000175877798 930147722 /nfs/dbraw/zinc/14/77/22/930147722.db2.gz KJGLCOYQNWUUIE-CQSZACIVSA-N 1 0 365.817 3.654 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](CO)CC(F)(F)F)s1 ZINC000536005767 937388009 /nfs/dbraw/zinc/38/80/09/937388009.db2.gz LLJSDJMHMONESZ-SNVBAGLBSA-N 1 0 360.357 3.726 20 5 FHBDRO CCOC1CC[NH+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000091678062 937409764 /nfs/dbraw/zinc/40/97/64/937409764.db2.gz CBOTVTLSOQKYCM-UHFFFAOYSA-N 1 0 360.410 3.864 20 5 FHBDRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)N2CCOCC2)o1 ZINC000118952959 930459129 /nfs/dbraw/zinc/45/91/29/930459129.db2.gz IVCNWRFJXARRTH-VQIMIIECSA-N 1 0 373.453 3.529 20 5 FHBDRO C[C@H](c1ccccc1)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CCC1 ZINC000536378184 930481472 /nfs/dbraw/zinc/48/14/72/930481472.db2.gz MUEUGFMHGMBNGN-MRXNPFEDSA-N 1 0 355.438 3.620 20 5 FHBDRO CCc1ccc(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000610434253 930532023 /nfs/dbraw/zinc/53/20/23/930532023.db2.gz HFRAGJSZIIPTPS-UHFFFAOYSA-N 1 0 371.437 3.740 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000247259498 930533465 /nfs/dbraw/zinc/53/34/65/930533465.db2.gz DXZDRMUGYPQHPQ-RDTXWAMCSA-N 1 0 373.478 3.778 20 5 FHBDRO CC[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000165517699 930543543 /nfs/dbraw/zinc/54/35/43/930543543.db2.gz ZYHAMIKUOPQWCR-KRWDZBQOSA-N 1 0 361.829 3.719 20 5 FHBDRO CCc1ccc([C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)[NH+](C)C)cc1 ZINC000561104991 930647716 /nfs/dbraw/zinc/64/77/16/930647716.db2.gz GVQSOBVHDIJCBZ-OAHLLOKOSA-N 1 0 371.466 3.877 20 5 FHBDRO CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000261652457 930654977 /nfs/dbraw/zinc/65/49/77/930654977.db2.gz DKSCDGOEUPJCOP-UHFFFAOYSA-N 1 0 371.412 3.929 20 5 FHBDRO CN(c1ccccc1)c1ccc(CN2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261658228 930655743 /nfs/dbraw/zinc/65/57/43/930655743.db2.gz FNNKWRNFNOOSQH-HXUWFJFHSA-N 1 0 354.454 3.533 20 5 FHBDRO CC(C)CCSc1ccc(C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261721382 930723536 /nfs/dbraw/zinc/72/35/36/930723536.db2.gz CKFSLNJUOYBRRL-SFHVURJKSA-N 1 0 365.499 3.544 20 5 FHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000610133933 930782725 /nfs/dbraw/zinc/78/27/25/930782725.db2.gz QQGRCTMEVKXWPT-SFHVURJKSA-N 1 0 369.465 3.570 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000610445635 930809234 /nfs/dbraw/zinc/80/92/34/930809234.db2.gz ACNNFWDRIUABBI-KRWDZBQOSA-N 1 0 367.449 3.640 20 5 FHBDRO C[N@H+](CCCNC(=O)C1CCC1)[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000432816081 930862092 /nfs/dbraw/zinc/86/20/92/930862092.db2.gz MTPOFTVDFCUPJI-HKUYNNGSSA-N 1 0 373.497 3.544 20 5 FHBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001167424390 930941112 /nfs/dbraw/zinc/94/11/12/930941112.db2.gz HZOOFHALJXFVFX-HUUCEWRRSA-N 1 0 363.458 3.689 20 5 FHBDRO COc1cc(C[N@H+](CCc2ccc(F)cc2)C2CC2)c([N+](=O)[O-])cc1OC ZINC000537635972 931067178 /nfs/dbraw/zinc/06/71/78/931067178.db2.gz LYRHLIULOGDSAV-UHFFFAOYSA-N 1 0 374.412 3.958 20 5 FHBDRO Cc1ccc([C@H](C)NC(=O)NCc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000175835851 931089677 /nfs/dbraw/zinc/08/96/77/931089677.db2.gz FAPHBSVNHVLPRB-HNNXBMFYSA-N 1 0 370.453 3.525 20 5 FHBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275986354 931183008 /nfs/dbraw/zinc/18/30/08/931183008.db2.gz PNUCNZGCMXXYMH-MRXNPFEDSA-N 1 0 363.461 3.696 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc(F)c2Br)cc1 ZINC000156714195 931382944 /nfs/dbraw/zinc/38/29/44/931382944.db2.gz JYOYVKINDIFVNF-UHFFFAOYSA-N 1 0 353.191 3.829 20 5 FHBDRO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000126114010 931398374 /nfs/dbraw/zinc/39/83/74/931398374.db2.gz WGKLTCQHOOQNOM-QGZVFWFLSA-N 1 0 371.481 3.740 20 5 FHBDRO Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Br)cc1[N+](=O)[O-] ZINC000581267600 931756033 /nfs/dbraw/zinc/75/60/33/931756033.db2.gz BLWJNTMITXBZKQ-FUNVUKJBSA-N 1 0 368.275 3.727 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000177982557 931862795 /nfs/dbraw/zinc/86/27/95/931862795.db2.gz QEXYFEPFAWQNSJ-OAHLLOKOSA-N 1 0 353.422 3.533 20 5 FHBDRO CC[C@@H]([NH2+]CC(=O)N1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000177983977 931945223 /nfs/dbraw/zinc/94/52/23/931945223.db2.gz XMJMWOUDLOSDHF-GOSISDBHSA-N 1 0 353.422 3.615 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505422 932016206 /nfs/dbraw/zinc/01/62/06/932016206.db2.gz KXKFEGSBFHRRCN-GOSISDBHSA-N 1 0 357.385 3.818 20 5 FHBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000156243404 932184293 /nfs/dbraw/zinc/18/42/93/932184293.db2.gz YCLYLPLDDXJNQO-CABCVRRESA-N 1 0 369.421 3.587 20 5 FHBDRO Cc1c(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000178051094 932223394 /nfs/dbraw/zinc/22/33/94/932223394.db2.gz NXLIBKFVYBMKLP-QGZVFWFLSA-N 1 0 367.449 3.545 20 5 FHBDRO CCN(CC[NH+]1CCCCCC1)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000477185862 932380879 /nfs/dbraw/zinc/38/08/79/932380879.db2.gz JERHTGJWNPFRMB-UHFFFAOYSA-N 1 0 362.474 3.941 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000255340787 932405128 /nfs/dbraw/zinc/40/51/28/932405128.db2.gz MUGBUUWLCHZZIN-QLBOMPFWSA-N 1 0 366.339 3.648 20 5 FHBDRO Cc1sc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000430654456 932614740 /nfs/dbraw/zinc/61/47/40/932614740.db2.gz RTIMHEDBONVMBG-XJKSGUPXSA-N 1 0 373.478 3.748 20 5 FHBDRO C[NH+](C)Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000581764387 932632337 /nfs/dbraw/zinc/63/23/37/932632337.db2.gz IVFIKJWABHUUIP-UHFFFAOYSA-N 1 0 367.327 3.928 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000276559798 932678990 /nfs/dbraw/zinc/67/89/90/932678990.db2.gz IYBHXCXLJPPGEO-UHFFFAOYSA-N 1 0 365.861 3.647 20 5 FHBDRO Cc1c(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000134645130 932762052 /nfs/dbraw/zinc/76/20/52/932762052.db2.gz SVXCQFBBVAXVJQ-XJKSGUPXSA-N 1 0 363.458 3.781 20 5 FHBDRO CCCC[NH+]1CCC(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000276647309 932817651 /nfs/dbraw/zinc/81/76/51/932817651.db2.gz WAXHJUHUBJSNIS-UHFFFAOYSA-N 1 0 353.850 3.551 20 5 FHBDRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2ccc(F)c(F)c2F)cccc1[N+](=O)[O-] ZINC000178202220 932842382 /nfs/dbraw/zinc/84/23/82/932842382.db2.gz PGJGGZAFVZXRCM-JTQLQIEISA-N 1 0 367.327 3.610 20 5 FHBDRO CC(C)Oc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000178206701 932880204 /nfs/dbraw/zinc/88/02/04/932880204.db2.gz HPRCUEFRMUVHEA-CQSZACIVSA-N 1 0 357.410 3.671 20 5 FHBDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000090942802 932911303 /nfs/dbraw/zinc/91/13/03/932911303.db2.gz QYFQUROLDPYIPP-OEPMTFCVSA-N 1 0 361.392 3.969 20 5 FHBDRO Cc1ccc2c(c1)nc(C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])n2C ZINC000187587413 933016703 /nfs/dbraw/zinc/01/67/03/933016703.db2.gz HRCMEAHOZWVFFA-OAHLLOKOSA-N 1 0 352.438 3.901 20 5 FHBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000588439791 933064556 /nfs/dbraw/zinc/06/45/56/933064556.db2.gz BQQGJQCXRCVLMA-NXVVXOECSA-N 1 0 371.481 3.911 20 5 FHBDRO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])C1(C)C ZINC001167490564 933076211 /nfs/dbraw/zinc/07/62/11/933076211.db2.gz DMLOYNAVVPSAIF-GDBMZVCRSA-N 1 0 371.275 3.993 20 5 FHBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000588444858 933105795 /nfs/dbraw/zinc/10/57/95/933105795.db2.gz NVROKZIDOUYWHU-RNUYOQPASA-N 1 0 371.412 3.556 20 5 FHBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000588445897 933142763 /nfs/dbraw/zinc/14/27/63/933142763.db2.gz CEYPQYJGBPREQX-UVTDQMKNSA-N 1 0 371.412 3.515 20 5 FHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2c(F)cc(F)c(F)c2F)n1 ZINC000430739289 933192162 /nfs/dbraw/zinc/19/21/62/933192162.db2.gz HLWMKMZCZLIGDJ-STQMWFEESA-N 1 0 372.322 3.621 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000510542219 933204506 /nfs/dbraw/zinc/20/45/06/933204506.db2.gz XZGHYKYCZLGJPX-KXBFYZLASA-N 1 0 355.438 3.633 20 5 FHBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1C)[NH+](C)C ZINC000510553499 933218550 /nfs/dbraw/zinc/21/85/50/933218550.db2.gz RWEOLHNXJVTXGP-KKSFZXQISA-N 1 0 369.465 3.562 20 5 FHBDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000510628308 933320794 /nfs/dbraw/zinc/32/07/94/933320794.db2.gz HJLLOXJGHPZPCN-HNNXBMFYSA-N 1 0 366.421 3.968 20 5 FHBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](c3nncn3C(C)C)C2)ccc1[N+](=O)[O-] ZINC000276919209 933979375 /nfs/dbraw/zinc/97/93/75/933979375.db2.gz OWBQPBHXTPSPHZ-MRXNPFEDSA-N 1 0 373.457 3.546 20 5 FHBDRO CCOc1cc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)ccc1[N+](=O)[O-] ZINC000276952920 934108669 /nfs/dbraw/zinc/10/86/69/934108669.db2.gz UPSBXWGMHBJCGJ-UHFFFAOYSA-N 1 0 374.412 3.928 20 5 FHBDRO Cc1cnc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c([N+](=O)[O-])c1 ZINC000535692371 934286042 /nfs/dbraw/zinc/28/60/42/934286042.db2.gz BTMJECUBNXITMW-UHFFFAOYSA-N 1 0 366.465 3.791 20 5 FHBDRO CC1CC[NH+](CCc2cccc(NC(=O)c3ccc([N+](=O)[O-])cn3)c2)CC1 ZINC000535804487 934401066 /nfs/dbraw/zinc/40/10/66/934401066.db2.gz GFHGVLIZSJOZQC-UHFFFAOYSA-N 1 0 368.437 3.517 20 5 FHBDRO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@H]21 ZINC000535806325 934412501 /nfs/dbraw/zinc/41/25/01/934412501.db2.gz QQLHUSWLNNSLRM-MAUKXSAKSA-N 1 0 355.438 3.771 20 5 FHBDRO CC[C@H]([NH2+]C[C@H](O)COc1c(C)cccc1C)c1cccc([N+](=O)[O-])c1 ZINC000610804522 934440146 /nfs/dbraw/zinc/44/01/46/934440146.db2.gz WZZJXCLZBGPERM-OALUTQOASA-N 1 0 358.438 3.692 20 5 FHBDRO CC(C)Oc1ncccc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000610800054 934447636 /nfs/dbraw/zinc/44/76/36/934447636.db2.gz OPVOBXAVJCCTRA-SFHVURJKSA-N 1 0 355.438 3.888 20 5 FHBDRO Cc1noc(C[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000277042868 934464693 /nfs/dbraw/zinc/46/46/93/934464693.db2.gz GIEVAVFYVUSEJD-FZKQIMNGSA-N 1 0 352.394 3.921 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)c1 ZINC000458261425 934528932 /nfs/dbraw/zinc/52/89/32/934528932.db2.gz JIBWUVDZNSDYEB-UHFFFAOYSA-N 1 0 357.410 3.616 20 5 FHBDRO Cc1cc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)ccc1C[NH+](C)C ZINC000458265094 934557813 /nfs/dbraw/zinc/55/78/13/934557813.db2.gz BYRZFHLNKHOJFX-UHFFFAOYSA-N 1 0 366.421 3.558 20 5 FHBDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000610929658 934626302 /nfs/dbraw/zinc/62/63/02/934626302.db2.gz BSNQCGFOYWDDRC-AWEZNQCLSA-N 1 0 360.845 3.744 20 5 FHBDRO CC[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000380492155 934809042 /nfs/dbraw/zinc/80/90/42/934809042.db2.gz WNYNOZNDTYMQPX-SFTDATJTSA-N 1 0 369.465 3.537 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000084293536 934817579 /nfs/dbraw/zinc/81/75/79/934817579.db2.gz LLSAKDGAFSBWBX-UHFFFAOYSA-N 1 0 362.455 3.560 20 5 FHBDRO COC1CCN(C(C)(C)C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000538414989 934846725 /nfs/dbraw/zinc/84/67/25/934846725.db2.gz WICGGKQMFGGHRF-UHFFFAOYSA-N 1 0 363.502 3.697 20 5 FHBDRO O=[N+]([O-])c1cc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)ccc1Oc1ccc(F)cc1 ZINC000538735719 934898900 /nfs/dbraw/zinc/89/89/00/934898900.db2.gz XBZNZZYUFGJJAQ-MAUKXSAKSA-N 1 0 371.412 3.710 20 5 FHBDRO C[C@@H](CCO)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000119673731 935012216 /nfs/dbraw/zinc/01/22/16/935012216.db2.gz JWUFGYUGYBSHJY-LBPRGKRZSA-N 1 0 350.802 3.901 20 5 FHBDRO CC1CC[NH+]([C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000072006493 935201208 /nfs/dbraw/zinc/20/12/08/935201208.db2.gz GEDRUDGFRFMWQJ-FQEVSTJZSA-N 1 0 367.449 3.798 20 5 FHBDRO COc1ccc([C@@H](CNc2cccc(F)c2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000072027276 935225623 /nfs/dbraw/zinc/22/56/23/935225623.db2.gz QKOTUKLFLTTXKM-GOSISDBHSA-N 1 0 359.401 3.992 20 5 FHBDRO COc1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])ccc1OC(F)F ZINC000511075183 935286611 /nfs/dbraw/zinc/28/66/11/935286611.db2.gz QOEOCEJLBDTPTM-UHFFFAOYSA-N 1 0 366.364 3.879 20 5 FHBDRO CC(C)CO[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000120056668 935509224 /nfs/dbraw/zinc/50/92/24/935509224.db2.gz LCPYIZYGYUCCHJ-KRWDZBQOSA-N 1 0 359.426 3.539 20 5 FHBDRO CCC(CC)[C@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[NH+](C)C ZINC000127746805 935767585 /nfs/dbraw/zinc/76/75/85/935767585.db2.gz WPYSTBYMITWKSL-INIZCTEOSA-N 1 0 350.463 3.700 20 5 FHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cncn1Cc1ccccc1 ZINC000511143899 935784545 /nfs/dbraw/zinc/78/45/45/935784545.db2.gz RGBPXIGZTNGCKB-UHFFFAOYSA-N 1 0 350.422 3.514 20 5 FHBDRO CC(C)(C)OC(=O)N1CC=C(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000588527370 935795013 /nfs/dbraw/zinc/79/50/13/935795013.db2.gz OBRUDYDYBWCALJ-VURMDHGXSA-N 1 0 373.453 3.765 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000127923493 935843402 /nfs/dbraw/zinc/84/34/02/935843402.db2.gz MGFSUSBTNMAZHD-OAHLLOKOSA-N 1 0 350.463 3.700 20 5 FHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000176683429 935843830 /nfs/dbraw/zinc/84/38/30/935843830.db2.gz TWKJMCAHUNIQFZ-SFHVURJKSA-N 1 0 373.428 3.855 20 5 FHBDRO [NH3+]Cc1cccn1-c1ccc2ccc3ccc(Br)nc3c2n1 ZINC001167596044 935920387 /nfs/dbraw/zinc/92/03/87/935920387.db2.gz SJJDTUWZXMXSJG-UHFFFAOYSA-N 1 0 353.223 3.795 20 5 FHBDRO CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H](C)Cc1ccsc1 ZINC000187777063 935961722 /nfs/dbraw/zinc/96/17/22/935961722.db2.gz WIASZODANVEKFJ-ZDUSSCGKSA-N 1 0 362.451 3.976 20 5 FHBDRO CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C1(C[NH3+])CCC1 ZINC000582732332 936014309 /nfs/dbraw/zinc/01/43/09/936014309.db2.gz DYOVCTUQWUSRER-UHFFFAOYSA-N 1 0 371.462 3.699 20 5 FHBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000611792893 936050146 /nfs/dbraw/zinc/05/01/46/936050146.db2.gz VGXZQMPUTSWXQD-ZDUSSCGKSA-N 1 0 354.834 3.804 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000178681428 936172679 /nfs/dbraw/zinc/17/26/79/936172679.db2.gz GEQBBSYOFFWYGU-CABCVRRESA-N 1 0 353.422 3.532 20 5 FHBDRO Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178681977 936173421 /nfs/dbraw/zinc/17/34/21/936173421.db2.gz RARKZFYTJPXAPB-DLBZAZTESA-N 1 0 369.465 3.909 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000178686951 936203822 /nfs/dbraw/zinc/20/38/22/936203822.db2.gz KEWGUOGNBVXSOS-VXGBXAGGSA-N 1 0 363.364 3.859 20 5 FHBDRO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178691267 936207941 /nfs/dbraw/zinc/20/79/41/936207941.db2.gz BUMDSDUEROOMEX-KBPBESRZSA-N 1 0 369.421 3.784 20 5 FHBDRO CN(Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001167640475 936308469 /nfs/dbraw/zinc/30/84/69/936308469.db2.gz BOQWZXSGTYJOEZ-LJQANCHMSA-N 1 0 357.429 3.830 20 5 FHBDRO COc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000511798330 945156772 /nfs/dbraw/zinc/15/67/72/945156772.db2.gz SAPFUESCHKBZPN-QRVBRYPASA-N 1 0 368.433 3.608 20 5 FHBDRO C[C@H]([NH2+]C(C)(C)CNc1nc2ccccn2c1[N+](=O)[O-])c1ccccc1 ZINC000728566979 938254059 /nfs/dbraw/zinc/25/40/59/938254059.db2.gz LAYRLOYCSCZIGG-AWEZNQCLSA-N 1 0 353.426 3.784 20 5 FHBDRO Cc1c(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000472286945 938260908 /nfs/dbraw/zinc/26/09/08/938260908.db2.gz YACOYZGYFCXZEW-LJQANCHMSA-N 1 0 367.449 3.688 20 5 FHBDRO Cc1cc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1OCC[NH+](C)C ZINC000583484948 938273264 /nfs/dbraw/zinc/27/32/64/938273264.db2.gz KYMFMJMABLGBQN-OAHLLOKOSA-N 1 0 371.437 3.586 20 5 FHBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000583625890 938327183 /nfs/dbraw/zinc/32/71/83/938327183.db2.gz RDDHRUIMTACOTK-HUUCEWRRSA-N 1 0 369.421 3.634 20 5 FHBDRO Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000128133516 938328619 /nfs/dbraw/zinc/32/86/19/938328619.db2.gz SHNQDPVSWMCUDU-INIZCTEOSA-N 1 0 354.454 3.926 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000246117140 938336781 /nfs/dbraw/zinc/33/67/81/938336781.db2.gz KUIIYTSRTHVXAH-SJORKVTESA-N 1 0 363.483 3.592 20 5 FHBDRO Cc1c([C@H](C)[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)cccc1[N+](=O)[O-] ZINC000161811448 938343166 /nfs/dbraw/zinc/34/31/66/938343166.db2.gz SWCBMHJCEOOLRB-BBRMVZONSA-N 1 0 363.458 3.857 20 5 FHBDRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000161929514 938463364 /nfs/dbraw/zinc/46/33/64/938463364.db2.gz OERCMBJJHAMGRN-MRXNPFEDSA-N 1 0 355.438 3.603 20 5 FHBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000472308465 938491026 /nfs/dbraw/zinc/49/10/26/938491026.db2.gz AABVJPZXPLEQOH-JZXOWHBKSA-N 1 0 367.449 3.875 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000140564980 945180506 /nfs/dbraw/zinc/18/05/06/945180506.db2.gz LXWIMYMGQAFGOD-UHFFFAOYSA-N 1 0 371.393 3.589 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000583960765 938502866 /nfs/dbraw/zinc/50/28/66/938502866.db2.gz SPDARFAUYHNREI-CRAIPNDOSA-N 1 0 358.438 3.638 20 5 FHBDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000519163401 945182603 /nfs/dbraw/zinc/18/26/03/945182603.db2.gz HFUSQKOUZMXBIB-UHFFFAOYSA-N 1 0 370.453 3.623 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278703076 938670395 /nfs/dbraw/zinc/67/03/95/938670395.db2.gz JSPMZFFHTMREAY-GFCCVEGCSA-N 1 0 359.348 3.506 20 5 FHBDRO CCOc1cc(NCc2ccc(Cn3ccnc3)cc2)ccc1[N+](=O)[O-] ZINC000080953273 938709284 /nfs/dbraw/zinc/70/92/84/938709284.db2.gz HLESQYFLDPVACA-UHFFFAOYSA-N 1 0 352.394 3.850 20 5 FHBDRO C[N@@H+]1CCC[C@@H](CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000108428710 945206187 /nfs/dbraw/zinc/20/61/87/945206187.db2.gz IBDCOFDZXWUZGN-INIZCTEOSA-N 1 0 373.428 3.958 20 5 FHBDRO CS[C@H]1CCCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092063983 945212153 /nfs/dbraw/zinc/21/21/53/945212153.db2.gz DCQZFVDBMKXQGU-KRWDZBQOSA-N 1 0 360.483 3.713 20 5 FHBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(Br)nc2)cc1[N+](=O)[O-] ZINC000289929633 938904858 /nfs/dbraw/zinc/90/48/58/938904858.db2.gz VNPZLMAGCRJNHB-JTQLQIEISA-N 1 0 366.215 3.612 20 5 FHBDRO CC[C@@H](OC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC001267375065 938914378 /nfs/dbraw/zinc/91/43/78/938914378.db2.gz ZOBMADSBPKBHSK-QAPCUYQASA-N 1 0 352.406 3.802 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000179105479 938942710 /nfs/dbraw/zinc/94/27/10/938942710.db2.gz TUJLPMZCIDGBHT-HXUWFJFHSA-N 1 0 369.421 3.673 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCCCc1ccccc1 ZINC000053079136 938965454 /nfs/dbraw/zinc/96/54/54/938965454.db2.gz KOLIIWSYNFNEMC-UHFFFAOYSA-N 1 0 355.438 3.796 20 5 FHBDRO CCC(CC)C(=O)N1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000611918278 938984651 /nfs/dbraw/zinc/98/46/51/938984651.db2.gz RLHSBWLQJIJCNC-UHFFFAOYSA-N 1 0 370.453 3.536 20 5 FHBDRO O=[N+]([O-])c1cc2ccccc2nc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000480588792 938997523 /nfs/dbraw/zinc/99/75/23/938997523.db2.gz KOLMXIREHZIBBM-KDURUIRLSA-N 1 0 374.444 3.711 20 5 FHBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000507441078 945224477 /nfs/dbraw/zinc/22/44/77/945224477.db2.gz LRLULYQRZMKKKF-KBPBESRZSA-N 1 0 373.453 3.827 20 5 FHBDRO COCOc1ccc(OC)cc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000179320495 939084577 /nfs/dbraw/zinc/08/45/77/939084577.db2.gz TYGRKGMGNABLMK-UHFFFAOYSA-N 1 0 374.437 3.997 20 5 FHBDRO COc1ccc([C@@H]([NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])C(C)C)cc1 ZINC000892469787 939219950 /nfs/dbraw/zinc/21/99/50/939219950.db2.gz XAOFYTHEACLKKT-KRWDZBQOSA-N 1 0 360.410 3.805 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)cc1 ZINC000614235837 939902438 /nfs/dbraw/zinc/90/24/38/939902438.db2.gz KDUPXRAAWAEMKP-GOSISDBHSA-N 1 0 364.449 3.899 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@]3(CO)CCc4ccccc43)o2)c1 ZINC000135900260 939917324 /nfs/dbraw/zinc/91/73/24/939917324.db2.gz JGWBFKFEFDGZRA-OAQYLSRUSA-N 1 0 364.401 3.778 20 5 FHBDRO C[N@H+](CCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccccc1 ZINC000310558217 939929717 /nfs/dbraw/zinc/92/97/17/939929717.db2.gz SQKASELMDDEOKK-UHFFFAOYSA-N 1 0 361.829 3.500 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000364737614 939990607 /nfs/dbraw/zinc/99/06/07/939990607.db2.gz KANGNPMEYOYAGJ-UHFFFAOYSA-N 1 0 374.466 3.751 20 5 FHBDRO CCC[N@H+](C[C@@H]1CCCCO1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000411370486 940036617 /nfs/dbraw/zinc/03/66/17/940036617.db2.gz UIZZMGTUBWMRRS-HOTGVXAUSA-N 1 0 363.458 3.511 20 5 FHBDRO CSc1ccccc1NC(=O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000411772055 940115765 /nfs/dbraw/zinc/11/57/65/940115765.db2.gz PTNYPCSNIGPBCF-ZDUSSCGKSA-N 1 0 359.451 3.996 20 5 FHBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411994881 940179731 /nfs/dbraw/zinc/17/97/31/940179731.db2.gz BKIGTWFVSJNUOB-FQEVSTJZSA-N 1 0 368.433 3.827 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H](c3ncc[nH]3)c3ccccc3)c2c1 ZINC000584493488 940207087 /nfs/dbraw/zinc/20/70/87/940207087.db2.gz XIGMDKHAOMRSBV-LJQANCHMSA-N 1 0 361.405 3.721 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cccc(-c4ccccn4)c3)nc2c1 ZINC000376034346 940216147 /nfs/dbraw/zinc/21/61/47/940216147.db2.gz KADHPDFMGVHDBL-UHFFFAOYSA-N 1 0 359.389 3.823 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180008692 940221330 /nfs/dbraw/zinc/22/13/30/940221330.db2.gz GIKYQGIKDCERCE-FXAWDEMLSA-N 1 0 367.449 3.695 20 5 FHBDRO O=[N+]([O-])c1c(NCC2CCN(c3cc[nH+]cc3)CC2)ccc2ncccc21 ZINC000180045576 940320568 /nfs/dbraw/zinc/32/05/68/940320568.db2.gz YNZBGJWQMCADDA-UHFFFAOYSA-N 1 0 363.421 3.867 20 5 FHBDRO C[N@H+](CCn1cc(-c2cccc([N+](=O)[O-])c2)cn1)Cc1ccc(F)cc1 ZINC000612999303 940383209 /nfs/dbraw/zinc/38/32/09/940383209.db2.gz XBXLCWNSVSBUSV-UHFFFAOYSA-N 1 0 354.385 3.729 20 5 FHBDRO [NH3+]CCN(Cc1ccc(F)cc1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000579885622 940412146 /nfs/dbraw/zinc/41/21/46/940412146.db2.gz BPXJZJAKMQMLST-UHFFFAOYSA-N 1 0 357.307 3.718 20 5 FHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCCN(c3ccccc3)C2)n1 ZINC000579913774 940416712 /nfs/dbraw/zinc/41/67/12/940416712.db2.gz HHSWJPMEUALHKQ-BHIYHBOVSA-N 1 0 369.469 3.534 20 5 FHBDRO COc1cc(OC)cc(OCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000581171560 940494714 /nfs/dbraw/zinc/49/47/14/940494714.db2.gz SXAQGPCZSPNJSR-HXUWFJFHSA-N 1 0 372.421 3.658 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000511482448 940608164 /nfs/dbraw/zinc/60/81/64/940608164.db2.gz PHYJSWOONANQDK-UHFFFAOYSA-N 1 0 355.438 3.706 20 5 FHBDRO CCc1nnc(C[NH2+][C@@H](CC)CSc2ccccc2[N+](=O)[O-])s1 ZINC000290190517 940649469 /nfs/dbraw/zinc/64/94/69/940649469.db2.gz OFRDDQKLZPNQRF-NSHDSACASA-N 1 0 352.485 3.669 20 5 FHBDRO COc1cccc2c1C[C@@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C2 ZINC000414178880 940714424 /nfs/dbraw/zinc/71/44/24/940714424.db2.gz KLVDNILSQVAUJZ-PKOBYXMFSA-N 1 0 352.434 3.682 20 5 FHBDRO COc1ccc([C@@H](CO)C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000414190018 940737277 /nfs/dbraw/zinc/73/72/77/940737277.db2.gz RPPOEFKXZHUYEX-QRWLVFNGSA-N 1 0 370.449 3.692 20 5 FHBDRO O=C1CCCN1Cc1cccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000892558997 940771411 /nfs/dbraw/zinc/77/14/11/940771411.db2.gz GHJNNNRTQSHQLQ-UHFFFAOYSA-N 1 0 373.840 3.660 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)C1CC1 ZINC000414230284 940803011 /nfs/dbraw/zinc/80/30/11/940803011.db2.gz AYIDKFJKAZGXBR-ZDUSSCGKSA-N 1 0 366.343 3.515 20 5 FHBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000892608215 940940922 /nfs/dbraw/zinc/94/09/22/940940922.db2.gz NZAALYYSJIOIQD-BFHYXJOUSA-N 1 0 374.359 3.595 20 5 FHBDRO COCCOc1cccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000892614064 940967456 /nfs/dbraw/zinc/96/74/56/940967456.db2.gz PTEBUAIUYUIFCY-UHFFFAOYSA-N 1 0 350.802 3.563 20 5 FHBDRO CCN(C(=O)c1cc(C)cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186313133 940980842 /nfs/dbraw/zinc/98/08/42/940980842.db2.gz WMNHTOHOWMLEQB-LJQANCHMSA-N 1 0 367.449 3.640 20 5 FHBDRO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180400481 940999393 /nfs/dbraw/zinc/99/93/93/940999393.db2.gz RCFBCNCZDAGHAT-JKSUJKDBSA-N 1 0 355.438 3.683 20 5 FHBDRO CC(C)[C@@H](NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000180444406 941017535 /nfs/dbraw/zinc/01/75/35/941017535.db2.gz ZBPOIUSEFHROEZ-JLTOFOAXSA-N 1 0 373.428 3.898 20 5 FHBDRO C[C@H]([NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180449976 941018191 /nfs/dbraw/zinc/01/81/91/941018191.db2.gz KBXQIZOHUUTHNI-YVEFUNNKSA-N 1 0 368.355 3.868 20 5 FHBDRO CCc1ccc([C@H]([NH2+][C@H]2CCC[C@@H](CO)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414347654 941021371 /nfs/dbraw/zinc/02/13/71/941021371.db2.gz WBAOBVGXZXYESB-PTSWNOGYSA-N 1 0 358.438 3.980 20 5 FHBDRO C[C@H](NCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000180459759 941023208 /nfs/dbraw/zinc/02/32/08/941023208.db2.gz NRAFIZHQYHPBDE-GJZGRUSLSA-N 1 0 372.425 3.895 20 5 FHBDRO Cc1c([C@@H](C)[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000180515807 941036351 /nfs/dbraw/zinc/03/63/51/941036351.db2.gz BGIKAOBFQOEYHA-GXTWGEPZSA-N 1 0 351.447 3.857 20 5 FHBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C2CCN(Cc3cccnc3)CC2)cc1 ZINC000414356010 941039002 /nfs/dbraw/zinc/03/90/02/941039002.db2.gz DAOBNRIXWMLLLK-UHFFFAOYSA-N 1 0 368.481 3.567 20 5 FHBDRO CCOc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000180709332 941067804 /nfs/dbraw/zinc/06/78/04/941067804.db2.gz BVQCZUDUPKVGMN-OAHLLOKOSA-N 1 0 371.437 3.981 20 5 FHBDRO CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)C2)ncn1 ZINC000180774982 941074865 /nfs/dbraw/zinc/07/48/65/941074865.db2.gz SXESFROMVLVLAC-RDJZCZTQSA-N 1 0 369.469 3.575 20 5 FHBDRO Cc1cc(C[C@H](C)[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000180963931 941097937 /nfs/dbraw/zinc/09/79/37/941097937.db2.gz BVZWTHIRVUKKME-VBKZILBWSA-N 1 0 350.422 3.937 20 5 FHBDRO CC1(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC[NH2+]CC1 ZINC000181291290 941120157 /nfs/dbraw/zinc/12/01/57/941120157.db2.gz FXQATKASJQPJPY-UHFFFAOYSA-N 1 0 369.421 3.507 20 5 FHBDRO CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000189031914 941142233 /nfs/dbraw/zinc/14/22/33/941142233.db2.gz DBDUOBSIDLXNLF-RTBURBONSA-N 1 0 371.412 3.576 20 5 FHBDRO CCOc1cc(C)ccc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000472622705 941148584 /nfs/dbraw/zinc/14/85/84/941148584.db2.gz LWDCYVQFEUFXQL-SJORKVTESA-N 1 0 358.442 3.772 20 5 FHBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000189492436 941159125 /nfs/dbraw/zinc/15/91/25/941159125.db2.gz POJQVPKJNLTDHU-GJZGRUSLSA-N 1 0 362.455 3.799 20 5 FHBDRO C[NH2+][C@@H]1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000414661442 941429750 /nfs/dbraw/zinc/42/97/50/941429750.db2.gz XDEYKXOWSLVIRU-OAHLLOKOSA-N 1 0 361.829 3.834 20 5 FHBDRO O=[N+]([O-])c1cc(CN2CCC[NH2+]CC2)ccc1Oc1ccccc1Cl ZINC000414660650 941429863 /nfs/dbraw/zinc/42/98/63/941429863.db2.gz VWAPOQFXVTVIHO-UHFFFAOYSA-N 1 0 361.829 3.836 20 5 FHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2cccc3c2CCCN3)c1 ZINC000415046080 941569584 /nfs/dbraw/zinc/56/95/84/941569584.db2.gz ZGXROFAZGIKPCB-UHFFFAOYSA-N 1 0 363.364 3.844 20 5 FHBDRO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000311925121 941651931 /nfs/dbraw/zinc/65/19/31/941651931.db2.gz FLDQYKRKBXMKBC-CXAGYDPISA-N 1 0 373.840 3.641 20 5 FHBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000415191319 941665724 /nfs/dbraw/zinc/66/57/24/941665724.db2.gz JSRDGEBMJVTQHN-UONOGXRCSA-N 1 0 370.409 3.779 20 5 FHBDRO [NH3+]C1CCC(NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000415201075 941670373 /nfs/dbraw/zinc/67/03/73/941670373.db2.gz XZYFJOFXIZYCNJ-UHFFFAOYSA-N 1 0 370.409 3.779 20 5 FHBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)[C@H]1CCC[N@H+](C)C1 ZINC000151156672 941764314 /nfs/dbraw/zinc/76/43/14/941764314.db2.gz RZZVCHOATCGUHW-INIZCTEOSA-N 1 0 369.421 3.553 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000513261191 941814092 /nfs/dbraw/zinc/81/40/92/941814092.db2.gz MCTCQNMHQWPKJF-LIRRHRJNSA-N 1 0 353.422 3.925 20 5 FHBDRO O=C(NCCc1ccccc1[N+](=O)[O-])c1cccc(C[NH+]2CCCCC2)c1 ZINC000412151067 941846274 /nfs/dbraw/zinc/84/62/74/941846274.db2.gz YIEPNSHSEGZQPA-UHFFFAOYSA-N 1 0 367.449 3.553 20 5 FHBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000236777098 941866078 /nfs/dbraw/zinc/86/60/78/941866078.db2.gz DGGNPJSKGSEYLS-QGZVFWFLSA-N 1 0 361.829 3.801 20 5 FHBDRO C[C@H](c1ccco1)[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000119269690 941875533 /nfs/dbraw/zinc/87/55/33/941875533.db2.gz WGIKVJXXPLKBLH-CYBMUJFWSA-N 1 0 371.393 3.711 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000182690155 941952627 /nfs/dbraw/zinc/95/26/27/941952627.db2.gz TYEYNBQLLRNKNY-CQSZACIVSA-N 1 0 373.478 3.920 20 5 FHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000236797490 941961266 /nfs/dbraw/zinc/96/12/66/941961266.db2.gz DEZBQXULIBNKHG-DNVCBOLYSA-N 1 0 355.438 3.668 20 5 FHBDRO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000412257055 941992763 /nfs/dbraw/zinc/99/27/63/941992763.db2.gz MZNBKWGAPZPJJZ-VVHHDAOASA-N 1 0 367.449 3.506 20 5 FHBDRO CC(C)[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000110214386 942024967 /nfs/dbraw/zinc/02/49/67/942024967.db2.gz CCHJCYAWLCKOAP-INIZCTEOSA-N 1 0 367.877 3.735 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]([NH3+])c1ccccc1CC ZINC000415767603 942046022 /nfs/dbraw/zinc/04/60/22/942046022.db2.gz UHEKHTULMZSUSU-QGZVFWFLSA-N 1 0 356.426 3.541 20 5 FHBDRO COc1ccc(C[NH2+][C@@H](C)CCc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000513662002 942070899 /nfs/dbraw/zinc/07/08/99/942070899.db2.gz RXXVKEAGRFWJPS-LBPRGKRZSA-N 1 0 350.365 3.993 20 5 FHBDRO Cn1ccnc1[C@@H]([NH2+][C@H]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000513662650 942071731 /nfs/dbraw/zinc/07/17/31/942071731.db2.gz YGOPVIXAQXMFMV-ICSRJNTNSA-N 1 0 362.433 3.565 20 5 FHBDRO C[NH2+]Cc1ccccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000415908357 942125923 /nfs/dbraw/zinc/12/59/23/942125923.db2.gz DDEKZBXHBIPWRT-UHFFFAOYSA-N 1 0 354.410 3.511 20 5 FHBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000473535359 942169741 /nfs/dbraw/zinc/16/97/41/942169741.db2.gz XSKDHLCCVXVXOG-MAUKXSAKSA-N 1 0 352.438 3.596 20 5 FHBDRO Cc1c(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cccc1[N+](=O)[O-] ZINC000103096834 942200874 /nfs/dbraw/zinc/20/08/74/942200874.db2.gz NZSMAQMGRIQURF-QGZVFWFLSA-N 1 0 359.470 3.631 20 5 FHBDRO Cc1c(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cccc1[N+](=O)[O-] ZINC000103096837 942200990 /nfs/dbraw/zinc/20/09/90/942200990.db2.gz NZSMAQMGRIQURF-KRWDZBQOSA-N 1 0 359.470 3.631 20 5 FHBDRO Cc1cc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccc1[N+](=O)[O-] ZINC000103094905 942203786 /nfs/dbraw/zinc/20/37/86/942203786.db2.gz GICUHSHWYJKGRW-KRWDZBQOSA-N 1 0 359.470 3.631 20 5 FHBDRO C[NH+](C)CCN(Cc1ccsc1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000413456234 942208454 /nfs/dbraw/zinc/20/84/54/942208454.db2.gz OYAGGKOWFWRHMW-UHFFFAOYSA-N 1 0 356.451 3.773 20 5 FHBDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1C ZINC000103145444 942223889 /nfs/dbraw/zinc/22/38/89/942223889.db2.gz WCJZTBPMHIOECU-UHFFFAOYSA-N 1 0 371.437 3.681 20 5 FHBDRO COc1ccc(OCC[NH2+][C@H](CC(F)F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000420999513 942297067 /nfs/dbraw/zinc/29/70/67/942297067.db2.gz VGYZNWSJODKBSZ-OAHLLOKOSA-N 1 0 366.364 3.968 20 5 FHBDRO CC(C)[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](C)c1ccsc1 ZINC000421005480 942298588 /nfs/dbraw/zinc/29/85/88/942298588.db2.gz JIQLGEYOGRMLHL-ZBFHGGJFSA-N 1 0 364.467 3.868 20 5 FHBDRO COCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000501162804 942332320 /nfs/dbraw/zinc/33/23/20/942332320.db2.gz KMVXVKZZIMZPOI-INIZCTEOSA-N 1 0 371.437 3.633 20 5 FHBDRO Cc1ccc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1[N+](=O)[O-] ZINC000502319725 942351810 /nfs/dbraw/zinc/35/18/10/942351810.db2.gz KECVIKJVBSEGNY-KRWDZBQOSA-N 1 0 354.454 3.816 20 5 FHBDRO CCNC(=O)c1cccc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000468648356 942376248 /nfs/dbraw/zinc/37/62/48/942376248.db2.gz PCEFYHDJWZTUIS-GDNBJRDFSA-N 1 0 353.422 3.538 20 5 FHBDRO O=[N+]([O-])c1ccc2ccnc(NCC3([NH+]4CCCCC4)CCOCC3)c2c1 ZINC000413164881 942391264 /nfs/dbraw/zinc/39/12/64/942391264.db2.gz ZQKBQQKNOHWCNJ-UHFFFAOYSA-N 1 0 370.453 3.590 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2cccnc21 ZINC000413199956 942472189 /nfs/dbraw/zinc/47/21/89/942472189.db2.gz JTKMKTVQBCDUCK-PBHICJAKSA-N 1 0 352.438 3.596 20 5 FHBDRO CSc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000501529958 942526535 /nfs/dbraw/zinc/52/65/35/942526535.db2.gz BGRKQXGTJKOVAM-CYBMUJFWSA-N 1 0 359.451 3.914 20 5 FHBDRO CCCn1nccc1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000501547952 942531679 /nfs/dbraw/zinc/53/16/79/942531679.db2.gz WTIVPOHLBLZBNT-UHFFFAOYSA-N 1 0 358.442 3.590 20 5 FHBDRO C[NH+](C)[C@H](CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000416240533 942532788 /nfs/dbraw/zinc/53/27/88/942532788.db2.gz NGXLISWPVOQXIV-GOSISDBHSA-N 1 0 355.438 3.639 20 5 FHBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502557788 942539488 /nfs/dbraw/zinc/53/94/88/942539488.db2.gz FKLLPQFUNGZRSY-GOSISDBHSA-N 1 0 364.804 3.879 20 5 FHBDRO Cn1cc(C[NH2+]C[C@@H]2CC23CCSCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000421386693 942539985 /nfs/dbraw/zinc/53/99/85/942539985.db2.gz RMICJNBTORKJRU-INIZCTEOSA-N 1 0 372.494 3.618 20 5 FHBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F)CCC(F)(F)F ZINC000413259719 942570205 /nfs/dbraw/zinc/57/02/05/942570205.db2.gz IOLBPAMEOAPUOR-UHFFFAOYSA-N 1 0 374.285 3.695 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H]([NH+]4CCCCC4)C3)o2)cc1 ZINC000513718215 942574548 /nfs/dbraw/zinc/57/45/48/942574548.db2.gz WSPODJUTUFVHAH-SFHVURJKSA-N 1 0 355.438 3.915 20 5 FHBDRO CC(C)C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000501698161 942620275 /nfs/dbraw/zinc/62/02/75/942620275.db2.gz DJYLIWJPNLIHIT-UYAOXDASSA-N 1 0 358.438 3.712 20 5 FHBDRO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)c2c1 ZINC000312139534 942626433 /nfs/dbraw/zinc/62/64/33/942626433.db2.gz TXJXGCZYIIPSJI-MRXNPFEDSA-N 1 0 363.421 3.615 20 5 FHBDRO CC[C@@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000431863560 942700197 /nfs/dbraw/zinc/70/01/97/942700197.db2.gz FYULFTHLFPACCC-RTBURBONSA-N 1 0 355.438 3.855 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000421762643 942804249 /nfs/dbraw/zinc/80/42/49/942804249.db2.gz NLRKYFRMUFLTCF-GOSISDBHSA-N 1 0 373.497 3.940 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190160053 942833258 /nfs/dbraw/zinc/83/32/58/942833258.db2.gz LFHXAGHJTYGLFB-AWEZNQCLSA-N 1 0 373.375 3.752 20 5 FHBDRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000514234848 942846246 /nfs/dbraw/zinc/84/62/46/942846246.db2.gz SZSPHYXJBYYSOJ-QGZVFWFLSA-N 1 0 361.442 3.587 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C1(OC)CCOCC1 ZINC000421856315 942848529 /nfs/dbraw/zinc/84/85/29/942848529.db2.gz AMACIRYRYJUDOU-HUUCEWRRSA-N 1 0 368.499 3.639 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C1(OC)CCOCC1 ZINC000421856307 942848796 /nfs/dbraw/zinc/84/87/96/942848796.db2.gz AMACIRYRYJUDOU-CABCVRRESA-N 1 0 368.499 3.639 20 5 FHBDRO COc1cc(C[NH2+]C[C@@H]2CC=CCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237275414 942866168 /nfs/dbraw/zinc/86/61/68/942866168.db2.gz NNYCYDILRQIRSS-GFCCVEGCSA-N 1 0 374.359 3.990 20 5 FHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cccc2[nH]ccc21 ZINC000503078720 942961725 /nfs/dbraw/zinc/96/17/25/942961725.db2.gz RXXNVRWSDXPNNR-AWEZNQCLSA-N 1 0 366.421 3.626 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(CCC)CC[NH+](C)C ZINC000503137458 943004213 /nfs/dbraw/zinc/00/42/13/943004213.db2.gz IBVILUXAMMBTSN-UHFFFAOYSA-N 1 0 353.488 3.511 20 5 FHBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000066831300 943031939 /nfs/dbraw/zinc/03/19/39/943031939.db2.gz NPDKXERCXWXPHU-UHFFFAOYSA-N 1 0 363.421 3.760 20 5 FHBDRO CCc1ccc([C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)[NH+](C)C)cc1 ZINC000514510981 943073457 /nfs/dbraw/zinc/07/34/57/943073457.db2.gz HWIVBTXYHVJJIB-IBGZPJMESA-N 1 0 370.453 3.890 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414657183 943121019 /nfs/dbraw/zinc/12/10/19/943121019.db2.gz JZLUHAJHZSYRPW-QGZVFWFLSA-N 1 0 356.426 3.848 20 5 FHBDRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000048053069 943126982 /nfs/dbraw/zinc/12/69/82/943126982.db2.gz HNDRYZBIRBPOQA-UHFFFAOYSA-N 1 0 368.865 3.832 20 5 FHBDRO C[C@@H]1C[C@]1([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000503368734 943143663 /nfs/dbraw/zinc/14/36/63/943143663.db2.gz NVMHDBRYOQQMED-BFUOFWGJSA-N 1 0 373.840 3.736 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000503419926 943175784 /nfs/dbraw/zinc/17/57/84/943175784.db2.gz PVZNOVOZRUAMSL-KGLIPLIRSA-N 1 0 365.499 3.700 20 5 FHBDRO CN(c1ccccc1)c1ccc(CN2CCC3(CC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000422561233 943182267 /nfs/dbraw/zinc/18/22/67/943182267.db2.gz JYZKUNIFGQHPLJ-UHFFFAOYSA-N 1 0 366.465 3.691 20 5 FHBDRO CCS[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000503455480 943191849 /nfs/dbraw/zinc/19/18/49/943191849.db2.gz UFLQXNSWKWEPHI-NZVBXONLSA-N 1 0 371.890 3.839 20 5 FHBDRO CCc1oc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)OC ZINC000566384660 943200100 /nfs/dbraw/zinc/20/01/00/943200100.db2.gz VKHTYCHBRWAEPY-UHFFFAOYSA-N 1 0 366.801 3.523 20 5 FHBDRO O=C(CC[NH2+][C@@H]1CCCc2c(F)cccc21)Nc1ccccc1[N+](=O)[O-] ZINC000514669104 943204015 /nfs/dbraw/zinc/20/40/15/943204015.db2.gz SXESNBLWZGVZSI-MRXNPFEDSA-N 1 0 357.385 3.730 20 5 FHBDRO Cc1c(CC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cccc1[N+](=O)[O-] ZINC000120266026 943344809 /nfs/dbraw/zinc/34/48/09/943344809.db2.gz DQXKUYHDTDCRQT-GOSISDBHSA-N 1 0 373.497 3.560 20 5 FHBDRO C[C@@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000435369027 943363489 /nfs/dbraw/zinc/36/34/89/943363489.db2.gz CNPFVFSSNYQWHJ-DYVFJYSZSA-N 1 0 359.401 3.695 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CCC([C@@H]4CCC[NH2+]4)CC3)cs2)c1 ZINC000435382168 943370787 /nfs/dbraw/zinc/37/07/87/943370787.db2.gz ZVBWEWOKESYHKK-SFHVURJKSA-N 1 0 372.494 3.682 20 5 FHBDRO O=[N+]([O-])c1ccc(CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC000435393070 943380107 /nfs/dbraw/zinc/38/01/07/943380107.db2.gz YPZHMWUIUYXZCA-QGZVFWFLSA-N 1 0 374.872 3.788 20 5 FHBDRO COc1c(C)cc(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1C ZINC000110287771 943398286 /nfs/dbraw/zinc/39/82/86/943398286.db2.gz JIAKXZWPHAEPEN-UHFFFAOYSA-N 1 0 371.437 3.681 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncnn1C(C)(C)C ZINC000503920984 943410093 /nfs/dbraw/zinc/41/00/93/943410093.db2.gz QKKXNJZKFRUTEV-CYBMUJFWSA-N 1 0 363.487 3.602 20 5 FHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2cccc3[nH]ccc32)n1 ZINC000503944473 943429025 /nfs/dbraw/zinc/42/90/25/943429025.db2.gz CUSMZSJFCFCMPC-QZTJIDSGSA-N 1 0 353.426 3.589 20 5 FHBDRO CC(C)[C@@H](C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H](C)[NH3+] ZINC000423217168 943446354 /nfs/dbraw/zinc/44/63/54/943446354.db2.gz TUPICGJVPAMDLD-FZKQIMNGSA-N 1 0 357.410 3.945 20 5 FHBDRO CSC1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000417303284 943496058 /nfs/dbraw/zinc/49/60/58/943496058.db2.gz AEWPIAINHPDKHM-QGZVFWFLSA-N 1 0 350.484 3.864 20 5 FHBDRO CNC(=O)c1cccc(CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417309600 943506718 /nfs/dbraw/zinc/50/67/18/943506718.db2.gz IYKMFJLELOPEDV-FQEVSTJZSA-N 1 0 367.449 3.554 20 5 FHBDRO CC(C)[NH+](CCN(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000504142821 943513011 /nfs/dbraw/zinc/51/30/11/943513011.db2.gz LEKASRUIWZNHTR-HNNXBMFYSA-N 1 0 367.515 3.653 20 5 FHBDRO O=C1CCN1c1cccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417329874 943520142 /nfs/dbraw/zinc/52/01/42/943520142.db2.gz KBBRECFESWNKEW-FQEVSTJZSA-N 1 0 365.433 3.889 20 5 FHBDRO CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417343020 943532161 /nfs/dbraw/zinc/53/21/61/943532161.db2.gz PVAZCLQTWRDCFG-HXUWFJFHSA-N 1 0 367.449 3.902 20 5 FHBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000515184416 943540502 /nfs/dbraw/zinc/54/05/02/943540502.db2.gz MBLVAIIJEQZNPP-BBRMVZONSA-N 1 0 358.417 3.572 20 5 FHBDRO CC(C)c1ccc(C(=O)N(CCC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000423625913 943582839 /nfs/dbraw/zinc/58/28/39/943582839.db2.gz RSLPAQDKVSBYPA-UHFFFAOYSA-N 1 0 355.438 3.709 20 5 FHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]([NH3+])c1ccccc1CC ZINC000423941366 943645391 /nfs/dbraw/zinc/64/53/91/943645391.db2.gz ORVXLISECDPVOI-QGZVFWFLSA-N 1 0 373.478 3.699 20 5 FHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@]1(F)c1ccccc1 ZINC000424331268 943848160 /nfs/dbraw/zinc/84/81/60/943848160.db2.gz RXDXUDAVWNGGBL-XVGQJIODSA-N 1 0 357.385 3.539 20 5 FHBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000516947226 943853426 /nfs/dbraw/zinc/85/34/26/943853426.db2.gz KBLSBCYDYWZASV-HZPDHXFCSA-N 1 0 369.465 3.944 20 5 FHBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000515426522 943870855 /nfs/dbraw/zinc/87/08/55/943870855.db2.gz GNERBWRRPSTGJC-CQSZACIVSA-N 1 0 373.478 3.818 20 5 FHBDRO COC[C@H]1CCCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425430828 943890375 /nfs/dbraw/zinc/89/03/75/943890375.db2.gz GPCWNKJFJMJLPS-LBPRGKRZSA-N 1 0 357.248 3.606 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](c1ccco1)N(C)C ZINC000504893321 943891758 /nfs/dbraw/zinc/89/17/58/943891758.db2.gz DNGDXPJHNLZHKS-GDBMZVCRSA-N 1 0 363.483 3.951 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn2ccsc2n1 ZINC000504896231 943894897 /nfs/dbraw/zinc/89/48/97/943894897.db2.gz XJVDARKJFHQSMF-GFCCVEGCSA-N 1 0 362.480 3.965 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000504905822 943903150 /nfs/dbraw/zinc/90/31/50/943903150.db2.gz OFPVANYEWIMMOD-KXBFYZLASA-N 1 0 357.454 3.947 20 5 FHBDRO Cc1ccc([C@H](C)NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417855285 943905799 /nfs/dbraw/zinc/90/57/99/943905799.db2.gz QWYNWCWKXZODNB-RYQLBKOJSA-N 1 0 374.485 3.528 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)Cn1ccnc1C ZINC000504912465 943908802 /nfs/dbraw/zinc/90/88/02/943908802.db2.gz WQESZZULQNKEAV-ZBFHGGJFSA-N 1 0 362.499 3.896 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2noc(-c3cccc(C[NH+]4CCCC4)c3)n2)c1 ZINC000505008749 943965527 /nfs/dbraw/zinc/96/55/27/943965527.db2.gz JKAPNRZTQSPVQT-UHFFFAOYSA-N 1 0 350.378 3.908 20 5 FHBDRO CCC(CC)[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[NH+]1CCCC1 ZINC000515540801 943994200 /nfs/dbraw/zinc/99/42/00/943994200.db2.gz FMHLARIJKDLOIO-IBGZPJMESA-N 1 0 374.485 3.792 20 5 FHBDRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000436052624 943995371 /nfs/dbraw/zinc/99/53/71/943995371.db2.gz MUGXWMUYNRHBNM-GJZGRUSLSA-N 1 0 360.483 3.532 20 5 FHBDRO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000437637340 944004632 /nfs/dbraw/zinc/00/46/32/944004632.db2.gz VHJVWOCNTPETQW-BEFAXECRSA-N 1 0 374.485 3.752 20 5 FHBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000425463268 944028836 /nfs/dbraw/zinc/02/88/36/944028836.db2.gz VYXGMOWFRBFBRG-MRXNPFEDSA-N 1 0 362.227 3.993 20 5 FHBDRO CO[C@](C)([C@@H](C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000425477000 944072847 /nfs/dbraw/zinc/07/28/47/944072847.db2.gz NUFZDTUUEOYHBE-MEBBXXQBSA-N 1 0 357.248 3.651 20 5 FHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000436280704 944160000 /nfs/dbraw/zinc/16/00/00/944160000.db2.gz CJVUCRDWZZAKGH-UHOSZYNNSA-N 1 0 373.497 3.687 20 5 FHBDRO COc1ccc(CN2CCC[N@H+](CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000515744065 944164937 /nfs/dbraw/zinc/16/49/37/944164937.db2.gz ZETUQDLQFUMJJT-UHFFFAOYSA-N 1 0 361.486 3.691 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000505792589 944193887 /nfs/dbraw/zinc/19/38/87/944193887.db2.gz JEYCDSZJRDQNBT-UHFFFAOYSA-N 1 0 365.499 3.701 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436376803 944246126 /nfs/dbraw/zinc/24/61/26/944246126.db2.gz DAKLJHOASHYYPJ-QGZVFWFLSA-N 1 0 360.458 3.822 20 5 FHBDRO COc1cc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1[N+](=O)[O-] ZINC000517410757 944279055 /nfs/dbraw/zinc/27/90/55/944279055.db2.gz XIQRVIOBRRPNBF-OAQYLSRUSA-N 1 0 367.449 3.706 20 5 FHBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@H](C)[C@@H]2CCOC2)cc1OC ZINC000500247550 944330505 /nfs/dbraw/zinc/33/05/05/944330505.db2.gz YORDWUZITBLRSK-RRFJBIMHSA-N 1 0 366.458 3.543 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001167751821 944347749 /nfs/dbraw/zinc/34/77/49/944347749.db2.gz NYRGUZXLJULABJ-HNNXBMFYSA-N 1 0 355.442 3.728 20 5 FHBDRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CC3 ZINC000123403742 944357169 /nfs/dbraw/zinc/35/71/69/944357169.db2.gz QWPLGWLMLKRBJU-CQSZACIVSA-N 1 0 351.406 3.732 20 5 FHBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCN(C3CC3)C2)ccc1Oc1ccc(F)cc1 ZINC000517545127 944393130 /nfs/dbraw/zinc/39/31/30/944393130.db2.gz CWHBCOUVLNUPNY-INIZCTEOSA-N 1 0 371.412 3.853 20 5 FHBDRO CC[C@@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000311299178 944534156 /nfs/dbraw/zinc/53/41/56/944534156.db2.gz GXOZOSRHNQQLBX-SJORKVTESA-N 1 0 363.458 3.939 20 5 FHBDRO [NH3+]CCc1cn(-c2ccc([N+](=O)[O-])cc2C(F)(F)F)c2ccc(O)cc12 ZINC001167982456 944537145 /nfs/dbraw/zinc/53/71/45/944537145.db2.gz FIMMVNBUBFDYPH-UHFFFAOYSA-N 1 0 365.311 3.764 20 5 FHBDRO C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000439333699 944544299 /nfs/dbraw/zinc/54/42/99/944544299.db2.gz WGCCDSLQFYTIRV-KPFFTGBYSA-N 1 0 370.449 3.603 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+](CCO)Cc3ccccc3)o2)cc1 ZINC000505867931 944550160 /nfs/dbraw/zinc/55/01/60/944550160.db2.gz JIINXSYBUGOQHN-UHFFFAOYSA-N 1 0 352.390 3.849 20 5 FHBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000425993015 944557720 /nfs/dbraw/zinc/55/77/20/944557720.db2.gz JDNBEOJUGHGDJQ-WBVHZDCISA-N 1 0 355.438 3.565 20 5 FHBDRO COc1cc(C[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)c([N+](=O)[O-])cc1F ZINC000184308156 944565391 /nfs/dbraw/zinc/56/53/91/944565391.db2.gz QFJOIFJJGJOCJK-ZDUSSCGKSA-N 1 0 370.384 3.779 20 5 FHBDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2-n2cccn2)c([N+](=O)[O-])cc1F ZINC000184308007 944565473 /nfs/dbraw/zinc/56/54/73/944565473.db2.gz MQERDFSSIJSPKJ-ZDUSSCGKSA-N 1 0 370.384 3.779 20 5 FHBDRO COc1cc(C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)c([N+](=O)[O-])cc1F ZINC000184310066 944567221 /nfs/dbraw/zinc/56/72/21/944567221.db2.gz ZMUWDMSPMPPKKU-CYBMUJFWSA-N 1 0 370.384 3.779 20 5 FHBDRO Cc1ccc2c(ccnc2-n2cc(CC[NH3+])c3cc(O)ccc32)c1[N+](=O)[O-] ZINC001167983568 944638304 /nfs/dbraw/zinc/63/83/04/944638304.db2.gz PEICGLYXUWJLDV-UHFFFAOYSA-N 1 0 362.389 3.602 20 5 FHBDRO O=C(NCC[NH2+]C1CCCCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418459037 944643704 /nfs/dbraw/zinc/64/37/04/944643704.db2.gz IMYBFDDUQMJXDC-UHFFFAOYSA-N 1 0 374.485 3.581 20 5 FHBDRO Cc1ccc(C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C(C)C)s1 ZINC000516308292 944710118 /nfs/dbraw/zinc/71/01/18/944710118.db2.gz ZWYWRRJPQQDITP-INIZCTEOSA-N 1 0 364.467 3.615 20 5 FHBDRO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[N@@H+]1CCC[C@H](C)C1 ZINC000506259771 944711488 /nfs/dbraw/zinc/71/14/88/944711488.db2.gz NLMPPJOUOJEGFP-QWHCGFSZSA-N 1 0 361.467 3.660 20 5 FHBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CCC(C)(C)CC1 ZINC000438506840 944715955 /nfs/dbraw/zinc/71/59/55/944715955.db2.gz UHLPVGJFBLZZAV-UHFFFAOYSA-N 1 0 361.442 3.793 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+](CCO)Cc3ccccc3)o2)c1 ZINC000505891802 944725215 /nfs/dbraw/zinc/72/52/15/944725215.db2.gz PTKSBQMBPAFETN-UHFFFAOYSA-N 1 0 352.390 3.849 20 5 FHBDRO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC[C@@H]1CCCC[N@@H+]1C ZINC000072758971 944740487 /nfs/dbraw/zinc/74/04/87/944740487.db2.gz FBWXPGZUILUDIB-KRWDZBQOSA-N 1 0 372.469 3.599 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](O)c2c(F)cccc2F)o1 ZINC000123967899 944749903 /nfs/dbraw/zinc/74/99/03/944749903.db2.gz PIMBAOPYHUNPNC-QGZVFWFLSA-N 1 0 374.343 3.956 20 5 FHBDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000506942381 944763622 /nfs/dbraw/zinc/76/36/22/944763622.db2.gz INPDQSBCMWGYBE-JOKNJTHLSA-N 1 0 373.840 3.871 20 5 FHBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000518806760 944785922 /nfs/dbraw/zinc/78/59/22/944785922.db2.gz PSLZUKHVRQOVOW-CYBMUJFWSA-N 1 0 359.401 3.593 20 5 FHBDRO CCOc1cccc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000388535086 944798212 /nfs/dbraw/zinc/79/82/12/944798212.db2.gz PINDLUSTXUJZAK-QGZVFWFLSA-N 1 0 355.438 3.928 20 5 FHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000511741475 944979139 /nfs/dbraw/zinc/97/91/39/944979139.db2.gz JCAXBPDBVNUQHR-INIZCTEOSA-N 1 0 373.478 3.687 20 5 FHBDRO COC(=O)c1ccc(Cl)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000518992950 945020006 /nfs/dbraw/zinc/02/00/06/945020006.db2.gz LDVVDSFFNRNZNG-UHFFFAOYSA-N 1 0 362.813 3.709 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000443973372 945390928 /nfs/dbraw/zinc/39/09/28/945390928.db2.gz ZOVWATBJJMKYEE-KCQAQPDRSA-N 1 0 362.474 3.700 20 5 FHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3[C@@H](c4ccccc4)C3(F)F)nc2c1 ZINC000896887367 945409208 /nfs/dbraw/zinc/40/92/08/945409208.db2.gz LNYBHSQZXCHDFW-CXAGYDPISA-N 1 0 359.332 3.875 20 5 FHBDRO CCCCO[C@H]1C[C@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000519725695 945677118 /nfs/dbraw/zinc/67/71/18/945677118.db2.gz PQPSKPHAOYZDQO-HOTGVXAUSA-N 1 0 374.441 3.718 20 5 FHBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000519734263 945696856 /nfs/dbraw/zinc/69/68/56/945696856.db2.gz WZADKHHARGCZJM-UHFFFAOYSA-N 1 0 357.458 3.505 20 5 FHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000107602194 945735092 /nfs/dbraw/zinc/73/50/92/945735092.db2.gz LZPVKOPYOUIEEV-CQSZACIVSA-N 1 0 365.499 3.701 20 5 FHBDRO CC(C)(CCC[NH3+])NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000519823350 945804981 /nfs/dbraw/zinc/80/49/81/945804981.db2.gz OXFYGMRNHWIDEB-UHFFFAOYSA-N 1 0 356.426 3.586 20 5 FHBDRO C[C@H]1CCCC[C@H]1OCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000127148915 945809538 /nfs/dbraw/zinc/80/95/38/945809538.db2.gz CHNPDHNKZMYPQR-OXJNMPFZSA-N 1 0 361.486 3.749 20 5 FHBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000550097789 945831826 /nfs/dbraw/zinc/83/18/26/945831826.db2.gz UFKYECLTOGYPGV-SWLSCSKDSA-N 1 0 357.376 3.672 20 5 FHBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000519898531 945848970 /nfs/dbraw/zinc/84/89/70/945848970.db2.gz ZAOWFSCBQKFQSI-OAHLLOKOSA-N 1 0 373.478 3.670 20 5 FHBDRO O=C(NCCCCC[NH+]1CCCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000522873653 946037924 /nfs/dbraw/zinc/03/79/24/946037924.db2.gz KXNMJDZFQQFWNZ-UHFFFAOYSA-N 1 0 353.850 3.634 20 5 FHBDRO Cc1ccc(C[C@@H](C)[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000444226960 946094624 /nfs/dbraw/zinc/09/46/24/946094624.db2.gz PTBFHGLANXTLGW-MRXNPFEDSA-N 1 0 355.438 3.713 20 5 FHBDRO CCc1nn(C)c(CC)c1CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302077253 946110345 /nfs/dbraw/zinc/11/03/45/946110345.db2.gz JTFAXCDKRVQYFA-UHFFFAOYSA-N 1 0 353.426 3.922 20 5 FHBDRO COc1cccc(NC2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000093342271 946316804 /nfs/dbraw/zinc/31/68/04/946316804.db2.gz BRYSERCWQFNQBW-UHFFFAOYSA-N 1 0 355.438 3.988 20 5 FHBDRO Cc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2C)[NH+]2CCCC2)cc1 ZINC000109505072 946319088 /nfs/dbraw/zinc/31/90/88/946319088.db2.gz WKRSPCHBBHJORB-HXUWFJFHSA-N 1 0 367.449 3.779 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000120893873 946396670 /nfs/dbraw/zinc/39/66/70/946396670.db2.gz PRLFGLZFUTTWRF-FNORWQNLSA-N 1 0 363.421 3.530 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000043149793 946397613 /nfs/dbraw/zinc/39/76/13/946397613.db2.gz RGBBYPUEOMWVHP-KRWDZBQOSA-N 1 0 372.425 3.845 20 5 FHBDRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000111372538 946445839 /nfs/dbraw/zinc/44/58/39/946445839.db2.gz FSMAKSBWASNJDO-LRDDRELGSA-N 1 0 359.813 3.704 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000475142906 946490042 /nfs/dbraw/zinc/49/00/42/946490042.db2.gz BUVWWBDFJIAPDM-JKSUJKDBSA-N 1 0 363.458 3.736 20 5 FHBDRO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)n1 ZINC000897044428 946517405 /nfs/dbraw/zinc/51/74/05/946517405.db2.gz OLVXGVLSCIBRFE-NEPJUHHUSA-N 1 0 350.806 3.620 20 5 FHBDRO COc1ccc(OCC[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000441400625 946556863 /nfs/dbraw/zinc/55/68/63/946556863.db2.gz WWSNLTVYHAGFNT-RDJZCZTQSA-N 1 0 356.422 3.860 20 5 FHBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H]1C ZINC000475194481 946677421 /nfs/dbraw/zinc/67/74/21/946677421.db2.gz QPACKDCEPGXPRS-QWRGUYRKSA-N 1 0 374.363 3.560 20 5 FHBDRO CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC001168073169 946712392 /nfs/dbraw/zinc/71/23/92/946712392.db2.gz IDMUPZAKZSLBSU-MRXNPFEDSA-N 1 0 371.437 3.713 20 5 FHBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475205693 946721528 /nfs/dbraw/zinc/72/15/28/946721528.db2.gz MJDLTUJGKFDFTN-LLVKDONJSA-N 1 0 374.363 3.610 20 5 FHBDRO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000121450245 946744277 /nfs/dbraw/zinc/74/42/77/946744277.db2.gz LWSHVICCDJNXKG-KRWDZBQOSA-N 1 0 371.462 3.566 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000475581532 946747178 /nfs/dbraw/zinc/74/71/78/946747178.db2.gz GNPPBWXKUCBOIE-MRXNPFEDSA-N 1 0 350.463 3.700 20 5 FHBDRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000053795659 946772123 /nfs/dbraw/zinc/77/21/23/946772123.db2.gz LFAWGKJHJHNTCY-UHFFFAOYSA-N 1 0 364.405 3.924 20 5 FHBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])c1 ZINC000067547472 946828891 /nfs/dbraw/zinc/82/88/91/946828891.db2.gz YOPFARVYBDNXNO-UHFFFAOYSA-N 1 0 357.410 3.698 20 5 FHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000408194814 946914406 /nfs/dbraw/zinc/91/44/06/946914406.db2.gz ZHSFQARYFOWOIY-XJKCOSOUSA-N 1 0 365.861 3.726 20 5 FHBDRO CC(C)(C)C[N@H+](CCCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000112600101 946917579 /nfs/dbraw/zinc/91/75/79/946917579.db2.gz LBJSEIJIPPGYEL-UHFFFAOYSA-N 1 0 361.442 3.523 20 5 FHBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H]1C ZINC000475361236 946952701 /nfs/dbraw/zinc/95/27/01/946952701.db2.gz FSHXZAHSXCTMIA-DYVFJYSZSA-N 1 0 374.462 3.954 20 5 FHBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C1CC1 ZINC000523200373 946985306 /nfs/dbraw/zinc/98/53/06/946985306.db2.gz VIBRBMHINHHWHA-UHFFFAOYSA-N 1 0 369.421 3.601 20 5 FHBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@H](COC(N)=O)Cc1ccccc1 ZINC000840961130 947046619 /nfs/dbraw/zinc/04/66/19/947046619.db2.gz QYAXTSWBFLIWFF-KAPURRDVSA-N 1 0 369.421 3.708 20 5 FHBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc2ncsc2c1 ZINC000444690741 947114924 /nfs/dbraw/zinc/11/49/24/947114924.db2.gz UZFRRUPVABDDBT-SNVBAGLBSA-N 1 0 353.407 3.932 20 5 FHBDRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248373562 947223108 /nfs/dbraw/zinc/22/31/08/947223108.db2.gz JSOZAGAAAMYIFK-XJKSGUPXSA-N 1 0 364.829 3.681 20 5 FHBDRO Cc1ccc(C)c([C@H](C)[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000523438730 947268475 /nfs/dbraw/zinc/26/84/75/947268475.db2.gz NOURIPQRZBVXRG-FUHWJXTLSA-N 1 0 358.438 3.644 20 5 FHBDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c2ccc(F)cc2C1 ZINC000184527858 947297917 /nfs/dbraw/zinc/29/79/17/947297917.db2.gz BQBCCKHPRKHMTJ-ZUOKHONESA-N 1 0 371.412 3.878 20 5 FHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000523531472 947340366 /nfs/dbraw/zinc/34/03/66/947340366.db2.gz DTFVYHXIJKAAFJ-FCEWJHQRSA-N 1 0 373.497 3.736 20 5 FHBDRO CSc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000440612224 947359634 /nfs/dbraw/zinc/35/96/34/947359634.db2.gz MXNYAMAYFWIGDA-STQMWFEESA-N 1 0 359.451 3.995 20 5 FHBDRO CSc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000440607762 947360391 /nfs/dbraw/zinc/36/03/91/947360391.db2.gz CMMDOWOXZSUMTB-SUMWQHHRSA-N 1 0 371.462 3.773 20 5 FHBDRO CSc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000440632341 947413849 /nfs/dbraw/zinc/41/38/49/947413849.db2.gz BYHQKQLWIFXBAZ-ZDUSSCGKSA-N 1 0 359.451 3.914 20 5 FHBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000072838451 947570214 /nfs/dbraw/zinc/57/02/14/947570214.db2.gz LSBYVGKCKREIAS-HUUCEWRRSA-N 1 0 362.455 3.751 20 5 FHBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000072837919 947570368 /nfs/dbraw/zinc/57/03/68/947570368.db2.gz SIKSWPLBCHTDJV-CHWSQXEVSA-N 1 0 371.890 3.793 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1cccnc1)C(C)C ZINC000125741786 947590849 /nfs/dbraw/zinc/59/08/49/947590849.db2.gz POWZYXJIRPFEDF-UHFFFAOYSA-N 1 0 356.426 3.537 20 5 FHBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000212837126 947691879 /nfs/dbraw/zinc/69/18/79/947691879.db2.gz SGMGOHGBGIOZOB-YFWYWMRJSA-N 1 0 369.421 3.544 20 5 FHBDRO Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000536378791 947851095 /nfs/dbraw/zinc/85/10/95/947851095.db2.gz MUSQUASIQSIDTH-JXFKEZNVSA-N 1 0 355.438 3.538 20 5 FHBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000015164199 947853642 /nfs/dbraw/zinc/85/36/42/947853642.db2.gz AQRVMMRBEBMYSX-QGZVFWFLSA-N 1 0 353.422 3.722 20 5 FHBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000032217016 948151522 /nfs/dbraw/zinc/15/15/22/948151522.db2.gz ZTFOMTMCHWNCKY-GOSISDBHSA-N 1 0 373.840 3.815 20 5 FHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000184732625 948301614 /nfs/dbraw/zinc/30/16/14/948301614.db2.gz CDHMSSABJCVYRJ-ICSRJNTNSA-N 1 0 373.497 3.640 20 5 FHBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccccc1Br ZINC000179001125 948565559 /nfs/dbraw/zinc/56/55/59/948565559.db2.gz RSIXAJYQQUXGAF-MRXNPFEDSA-N 1 0 365.227 3.523 20 5 FHBDRO CC[NH+](CC)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000090099915 948615916 /nfs/dbraw/zinc/61/59/16/948615916.db2.gz AEEKIJCAWZAAJX-MRXNPFEDSA-N 1 0 354.454 3.825 20 5 FHBDRO COc1ccc(CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1[N+](=O)[O-] ZINC000512184658 948723963 /nfs/dbraw/zinc/72/39/63/948723963.db2.gz YCMAMCXKPFELBM-GOSISDBHSA-N 1 0 361.486 3.547 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2cnn(CN3CCC(OC4CCCC4)CC3)c2)cc1 ZINC000728900479 948777515 /nfs/dbraw/zinc/77/75/15/948777515.db2.gz JYDYSHMLAVZXPK-UHFFFAOYSA-N 1 0 370.453 3.839 20 5 FHBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000524045939 948812198 /nfs/dbraw/zinc/81/21/98/948812198.db2.gz MUMCAAOPSXLLQW-OAHLLOKOSA-N 1 0 370.453 3.799 20 5 FHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000067443668 205370745 /nfs/dbraw/zinc/37/07/45/205370745.db2.gz CUCIAXQGNBNAQB-AWEZNQCLSA-N 1 0 351.410 3.578 20 5 FHBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccc(OC)cc1 ZINC000109103808 206046297 /nfs/dbraw/zinc/04/62/97/206046297.db2.gz LFFFHEBYJHPPOK-UHFFFAOYSA-N 1 0 371.437 3.763 20 5 FHBDRO Cc1ncc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000601938194 567881049 /nfs/dbraw/zinc/88/10/49/567881049.db2.gz YEJSMCFOBMKSNX-DTWKUNHWSA-N 1 0 368.846 3.691 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3c[nH]nc3-c3ccccc3)c2c1 ZINC000568133419 567927265 /nfs/dbraw/zinc/92/72/65/567927265.db2.gz YAXZWILZRAOING-UHFFFAOYSA-N 1 0 361.405 3.799 20 5 FHBDRO CC[C@@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000481545885 568050917 /nfs/dbraw/zinc/05/09/17/568050917.db2.gz PGAFQJLCUKOVSK-MOPGFXCFSA-N 1 0 355.438 3.855 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000481571040 568052239 /nfs/dbraw/zinc/05/22/39/568052239.db2.gz LHAYSZUCFSWYMA-CRAIPNDOSA-N 1 0 355.438 3.773 20 5 FHBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(N2CCCNC2=O)cc1 ZINC000291228315 568084271 /nfs/dbraw/zinc/08/42/71/568084271.db2.gz PLWICQZRNFYSRV-CABCVRRESA-N 1 0 368.437 3.926 20 5 FHBDRO C[NH+](C)[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(F)cc1 ZINC000604181669 568219956 /nfs/dbraw/zinc/21/99/56/568219956.db2.gz DCEUHYYSYZPRDC-MRXNPFEDSA-N 1 0 371.368 3.513 20 5 FHBDRO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000128723180 568220317 /nfs/dbraw/zinc/22/03/17/568220317.db2.gz UKOJBHLLZIDETK-GOSISDBHSA-N 1 0 356.422 3.914 20 5 FHBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291639858 568236432 /nfs/dbraw/zinc/23/64/32/568236432.db2.gz GFNNXSAMWBYXEM-SNVBAGLBSA-N 1 0 374.268 3.704 20 5 FHBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000128792378 568305164 /nfs/dbraw/zinc/30/51/64/568305164.db2.gz TZPUSWQUXCVEDG-UHFFFAOYSA-N 1 0 353.422 3.680 20 5 FHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000569298012 568344321 /nfs/dbraw/zinc/34/43/21/568344321.db2.gz NWHFQAFVSPINJL-ROUUACIJSA-N 1 0 356.422 3.562 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000569635371 568411591 /nfs/dbraw/zinc/41/15/91/568411591.db2.gz ZXTKKOIPHFGFSW-RTBURBONSA-N 1 0 366.465 3.565 20 5 FHBDRO CC(C)c1ccc(C[NH2+][C@H]2CCC[C@@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000569825975 568427914 /nfs/dbraw/zinc/42/79/14/568427914.db2.gz PFBPZFIQZISHRW-DLBZAZTESA-N 1 0 359.470 3.741 20 5 FHBDRO COc1cccc(N2CC[C@@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000482252448 568529352 /nfs/dbraw/zinc/52/93/52/568529352.db2.gz BANSREGPZVVFNY-JKSUJKDBSA-N 1 0 355.438 3.841 20 5 FHBDRO C[C@H]([NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1[N+](=O)[O-] ZINC000824547264 608526328 /nfs/dbraw/zinc/52/63/28/608526328.db2.gz NPPJGCPUVAEZEM-YVEFUNNKSA-N 1 0 364.409 3.503 20 5 FHBDRO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825434861 608550218 /nfs/dbraw/zinc/55/02/18/608550218.db2.gz HXKGUZMOTRSUFV-AWEZNQCLSA-N 1 0 366.425 3.666 20 5 FHBDRO CC[C@@H]([NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000825142552 609251630 /nfs/dbraw/zinc/25/16/30/609251630.db2.gz SPKXZKWGFTWFBH-QGZVFWFLSA-N 1 0 364.409 3.505 20 5 FHBDRO O=[N+]([O-])c1cccc2nc(N3CCCC[C@@H]3CC[NH+]3CCCC3)ccc21 ZINC001165046550 721969725 /nfs/dbraw/zinc/96/97/25/721969725.db2.gz GWZQBYYPSPJHGE-MRXNPFEDSA-N 1 0 354.454 3.988 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000178729552 936326925 /nfs/dbraw/zinc/32/69/25/936326925.db2.gz BHUOFDKBWHGZJY-AWEZNQCLSA-N 1 0 366.421 3.948 20 5 FHBDRO CC[NH+](CC)Cc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)o1 ZINC000612958042 936345684 /nfs/dbraw/zinc/34/56/84/936345684.db2.gz PDZMBKMJKBFTIT-UHFFFAOYSA-N 1 0 370.409 3.979 20 5 FHBDRO Cc1cc(NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000153647622 936356424 /nfs/dbraw/zinc/35/64/24/936356424.db2.gz CXQQIZXDTJTLKQ-QGZVFWFLSA-N 1 0 374.485 3.879 20 5 FHBDRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1)C1CC1 ZINC000133632596 927153571 /nfs/dbraw/zinc/15/35/71/927153571.db2.gz DPZYKWPKBFGYQP-UHFFFAOYSA-N 1 0 354.410 3.535 20 5 FHBDRO C[N@@H+](Cc1cc(Br)cs1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136944353 927721185 /nfs/dbraw/zinc/72/11/85/927721185.db2.gz AFJRWEVKQNRMMZ-CQSZACIVSA-N 1 0 371.256 3.584 20 5 FHBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(CC)CC ZINC000187054543 927877371 /nfs/dbraw/zinc/87/73/71/927877371.db2.gz MBHUQULTQLUUSC-CVEARBPZSA-N 1 0 374.441 3.718 20 5 FHBDRO C[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000573149562 937204058 /nfs/dbraw/zinc/20/40/58/937204058.db2.gz XFFYPHQRJLXVMS-MSOLQXFVSA-N 1 0 373.497 3.813 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000120309501 928050147 /nfs/dbraw/zinc/05/01/47/928050147.db2.gz NEIXJKYDIHKUQJ-INIZCTEOSA-N 1 0 362.474 3.988 20 5 FHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000246892015 928333996 /nfs/dbraw/zinc/33/39/96/928333996.db2.gz BOQWALBPCAAMPH-GDBMZVCRSA-N 1 0 351.410 3.578 20 5 FHBDRO Cc1c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000027604834 937243701 /nfs/dbraw/zinc/24/37/01/937243701.db2.gz NTSQXHNGLNFGSA-MRXNPFEDSA-N 1 0 359.451 3.532 20 5 FHBDRO CCC[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000165133113 929148399 /nfs/dbraw/zinc/14/83/99/929148399.db2.gz VJYUNJBUHTVEAH-FQEVSTJZSA-N 1 0 369.465 3.970 20 5 FHBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134706823 929159920 /nfs/dbraw/zinc/15/99/20/929159920.db2.gz UUFLYGVCEKFCRK-UHFFFAOYSA-N 1 0 365.861 3.633 20 5 FHBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000066854077 929216488 /nfs/dbraw/zinc/21/64/88/929216488.db2.gz GZGVUSADDFLELD-GJZGRUSLSA-N 1 0 371.437 3.666 20 5 FHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430296405 929398453 /nfs/dbraw/zinc/39/84/53/929398453.db2.gz JBTIHIORUVJLNY-NVXWUHKLSA-N 1 0 353.422 3.641 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000120703148 929438541 /nfs/dbraw/zinc/43/85/41/929438541.db2.gz YSUGSQTYYPBPKE-CYBMUJFWSA-N 1 0 360.385 3.802 20 5 FHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000187209613 929539447 /nfs/dbraw/zinc/53/94/47/929539447.db2.gz FTIDXCCIFSLRCO-UGSOOPFHSA-N 1 0 373.478 3.738 20 5 FHBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000610296826 929714610 /nfs/dbraw/zinc/71/46/10/929714610.db2.gz KXTKAZUOTAMNPR-MRXNPFEDSA-N 1 0 373.840 3.595 20 5 FHBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000610297347 929718654 /nfs/dbraw/zinc/71/86/54/929718654.db2.gz NDTQFIYUIXBVSR-INIZCTEOSA-N 1 0 373.840 3.595 20 5 FHBDRO C[C@H]1C[C@H](N(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@@H+]1C ZINC000275754775 930155818 /nfs/dbraw/zinc/15/58/18/930155818.db2.gz JQQYDDBAJCRGHN-GOEBONIOSA-N 1 0 363.461 3.648 20 5 FHBDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@@H+]1C ZINC000275754783 930156061 /nfs/dbraw/zinc/15/60/61/930156061.db2.gz JQQYDDBAJCRGHN-HOCLYGCPSA-N 1 0 363.461 3.648 20 5 FHBDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000560909877 930241314 /nfs/dbraw/zinc/24/13/14/930241314.db2.gz QYFQUROLDPYIPP-KHDYIWLOSA-N 1 0 361.392 3.969 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000579498049 930392287 /nfs/dbraw/zinc/39/22/87/930392287.db2.gz QYJSXZYORNHLGV-FQEVSTJZSA-N 1 0 371.412 3.803 20 5 FHBDRO C[C@H]([NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000610420570 930494663 /nfs/dbraw/zinc/49/46/63/930494663.db2.gz XTOTWQKIBLSMTM-VUCTXSBTSA-N 1 0 368.355 3.780 20 5 FHBDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000610420571 930494782 /nfs/dbraw/zinc/49/47/82/930494782.db2.gz XTOTWQKIBLSMTM-ZLIFDBKOSA-N 1 0 368.355 3.780 20 5 FHBDRO C[C@H]([NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000610420530 930494930 /nfs/dbraw/zinc/49/49/30/930494930.db2.gz KMPZCVOTJKVTAK-XGWLTEMNSA-N 1 0 368.355 3.780 20 5 FHBDRO C[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000379648144 930497868 /nfs/dbraw/zinc/49/78/68/930497868.db2.gz MANCJVKVUROFJJ-PXNSSMCTSA-N 1 0 353.466 3.780 20 5 FHBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001167387153 930591368 /nfs/dbraw/zinc/59/13/68/930591368.db2.gz OSYMVVBPNBQFFP-SFHVURJKSA-N 1 0 370.449 3.998 20 5 FHBDRO CCc1ccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000610437732 930604406 /nfs/dbraw/zinc/60/44/06/930604406.db2.gz LGKHXMJWDAOPCC-LJQANCHMSA-N 1 0 367.449 3.504 20 5 FHBDRO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000177763721 930673712 /nfs/dbraw/zinc/67/37/12/930673712.db2.gz DKSNAJGNNUPUGF-LBPRGKRZSA-N 1 0 361.467 3.889 20 5 FHBDRO CCC[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000119104830 930675285 /nfs/dbraw/zinc/67/52/85/930675285.db2.gz ABKBIPHSUYUWHQ-IBGZPJMESA-N 1 0 355.438 3.684 20 5 FHBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1C ZINC000580493563 930746886 /nfs/dbraw/zinc/74/68/86/930746886.db2.gz MLRXRWHKYJPITH-JLJPHGGASA-N 1 0 373.453 3.576 20 5 FHBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000109921606 930747869 /nfs/dbraw/zinc/74/78/69/930747869.db2.gz AKSUHWDNSHZBCD-KBPBESRZSA-N 1 0 372.469 3.562 20 5 FHBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000261900828 930892084 /nfs/dbraw/zinc/89/20/84/930892084.db2.gz WOQLTRAPJWWICJ-KBPBESRZSA-N 1 0 371.462 3.555 20 5 FHBDRO C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000548115387 930893904 /nfs/dbraw/zinc/89/39/04/930893904.db2.gz FFHBMBKIUSLPFA-IUODEOHRSA-N 1 0 374.466 3.825 20 5 FHBDRO COc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2C)C2CC2)c([N+](=O)[O-])c1 ZINC000537290313 930897806 /nfs/dbraw/zinc/89/78/06/930897806.db2.gz QFBIFFLPMKGBAV-FQEVSTJZSA-N 1 0 369.421 3.591 20 5 FHBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000579739189 930910012 /nfs/dbraw/zinc/91/00/12/930910012.db2.gz MEBQLLRHMIOWOQ-AWEZNQCLSA-N 1 0 370.384 3.649 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@]4(CC[NH2+]C4)C3)o2)c(Cl)c1 ZINC000261969881 930964068 /nfs/dbraw/zinc/96/40/68/930964068.db2.gz IAYIEQQLHDHCBU-GOSISDBHSA-N 1 0 361.829 3.694 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000119262399 930992034 /nfs/dbraw/zinc/99/20/34/930992034.db2.gz UTBQZPBFHCKQJL-CYBMUJFWSA-N 1 0 373.409 3.751 20 5 FHBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000580706800 931035900 /nfs/dbraw/zinc/03/59/00/931035900.db2.gz QOJDTBYMXUJWOZ-MRXNPFEDSA-N 1 0 367.449 3.898 20 5 FHBDRO COc1ccc(OC)c(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000177955566 931737237 /nfs/dbraw/zinc/73/72/37/931737237.db2.gz IUWCZBBIJOPLAP-IBGZPJMESA-N 1 0 370.449 3.765 20 5 FHBDRO Cc1ccc(NC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000610316913 931956358 /nfs/dbraw/zinc/95/63/58/931956358.db2.gz JNDJQBLCEDVODE-GOSISDBHSA-N 1 0 368.437 3.641 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505243 932014629 /nfs/dbraw/zinc/01/46/29/932014629.db2.gz DFVKIPBUGDFNBC-GOSISDBHSA-N 1 0 357.385 3.818 20 5 FHBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000119396813 932198946 /nfs/dbraw/zinc/19/89/46/932198946.db2.gz WALYTCWCUQEKDM-AWEZNQCLSA-N 1 0 371.437 3.500 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000477286958 932453182 /nfs/dbraw/zinc/45/31/82/932453182.db2.gz LYVXHQJWZZNNGT-MRXNPFEDSA-N 1 0 373.840 3.561 20 5 FHBDRO COc1cc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000090910189 932606151 /nfs/dbraw/zinc/60/61/51/932606151.db2.gz MRPLPEIFFBGFKM-ZDUSSCGKSA-N 1 0 360.410 3.514 20 5 FHBDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc([N+](=O)[O-])c1 ZINC000247365341 932610182 /nfs/dbraw/zinc/61/01/82/932610182.db2.gz KKAVDOAIWJXWTH-KBXCAEBGSA-N 1 0 373.478 3.778 20 5 FHBDRO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000247367678 932611074 /nfs/dbraw/zinc/61/10/74/932611074.db2.gz KODLQUZKRXPLOA-KBXCAEBGSA-N 1 0 373.478 3.778 20 5 FHBDRO CC(C)COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000178206433 932892394 /nfs/dbraw/zinc/89/23/94/932892394.db2.gz FVNUBTNYJMQVAN-OAHLLOKOSA-N 1 0 371.437 3.919 20 5 FHBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000084250484 932975438 /nfs/dbraw/zinc/97/54/38/932975438.db2.gz JEKFZZJSMHPVCE-UHFFFAOYSA-N 1 0 367.858 3.514 20 5 FHBDRO CC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000187547055 933001179 /nfs/dbraw/zinc/00/11/79/933001179.db2.gz OMWOUFLYLQWGLM-UHFFFAOYSA-N 1 0 353.422 3.836 20 5 FHBDRO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178316624 933119455 /nfs/dbraw/zinc/11/94/55/933119455.db2.gz ATKISFLXMNFIRT-CYBMUJFWSA-N 1 0 360.410 3.780 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@H]([NH+]4CCCC4)C3)o2)cc1 ZINC000510534967 933196112 /nfs/dbraw/zinc/19/61/12/933196112.db2.gz AEUROJJFRJTOGA-SFHVURJKSA-N 1 0 355.438 3.915 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000510542216 933204389 /nfs/dbraw/zinc/20/43/89/933204389.db2.gz XZGHYKYCZLGJPX-BEFAXECRSA-N 1 0 355.438 3.633 20 5 FHBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000561711596 933595697 /nfs/dbraw/zinc/59/56/97/933595697.db2.gz AMFQNDUWMJQPOE-UHFFFAOYSA-N 1 0 371.456 3.573 20 5 FHBDRO Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000247511392 934011873 /nfs/dbraw/zinc/01/18/73/934011873.db2.gz VSBRCUNWKOPXMR-KBXCAEBGSA-N 1 0 373.478 3.778 20 5 FHBDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000176114210 934147675 /nfs/dbraw/zinc/14/76/75/934147675.db2.gz SJSOPILYDBZWNP-APWZRJJASA-N 1 0 367.449 3.686 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000477911404 934265105 /nfs/dbraw/zinc/26/51/05/934265105.db2.gz HGACHUXKUKPVJK-HIFRSBDPSA-N 1 0 364.392 3.683 20 5 FHBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000458194450 934366308 /nfs/dbraw/zinc/36/63/08/934366308.db2.gz ANLQSLWEGQZJRR-UHFFFAOYSA-N 1 0 373.434 3.607 20 5 FHBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@@H]21 ZINC000535806326 934412622 /nfs/dbraw/zinc/41/26/22/934412622.db2.gz QQLHUSWLNNSLRM-QAPCUYQASA-N 1 0 355.438 3.771 20 5 FHBDRO CC(C)(C)C(=O)N1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000610799284 934436432 /nfs/dbraw/zinc/43/64/32/934436432.db2.gz MIYWIJMUQXEPPJ-SFHVURJKSA-N 1 0 373.497 3.543 20 5 FHBDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000610804511 934439927 /nfs/dbraw/zinc/43/99/27/934439927.db2.gz UXOMYWOVLMQCEG-IRXDYDNUSA-N 1 0 358.438 3.611 20 5 FHBDRO Cc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)c1 ZINC000024058707 934459507 /nfs/dbraw/zinc/45/95/07/934459507.db2.gz YISRKRBHGPADTP-UHFFFAOYSA-N 1 0 362.433 3.774 20 5 FHBDRO Cc1noc(C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000277042865 934464703 /nfs/dbraw/zinc/46/47/03/934464703.db2.gz GIEVAVFYVUSEJD-ACJLOTCBSA-N 1 0 352.394 3.921 20 5 FHBDRO Cc1cc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)ccc1C[NH+](C)C ZINC000458259550 934535889 /nfs/dbraw/zinc/53/58/89/934535889.db2.gz GTUYNQOLKRFPNP-CYBMUJFWSA-N 1 0 359.401 3.846 20 5 FHBDRO Cc1ccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000176248807 934665198 /nfs/dbraw/zinc/66/51/98/934665198.db2.gz UMIBIBFWHYHHSJ-UHFFFAOYSA-N 1 0 360.458 3.822 20 5 FHBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1N1CCCC1 ZINC000065222875 934731913 /nfs/dbraw/zinc/73/19/13/934731913.db2.gz VVCDUIAGGJDLHQ-UHFFFAOYSA-N 1 0 355.438 3.706 20 5 FHBDRO CC(C)OC1CCC([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000611560882 934846044 /nfs/dbraw/zinc/84/60/44/934846044.db2.gz VZSSKCCJXWIQJY-KVZIAJEVSA-N 1 0 372.469 3.744 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCOc1ccc(Cl)cn1)C1CC1 ZINC000537959535 934858500 /nfs/dbraw/zinc/85/85/00/934858500.db2.gz LBNHLTWJNNRMGS-MRXNPFEDSA-N 1 0 361.829 3.633 20 5 FHBDRO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000539074551 935012478 /nfs/dbraw/zinc/01/24/78/935012478.db2.gz RKQRXIFQOXYRAJ-AWEZNQCLSA-N 1 0 357.410 3.591 20 5 FHBDRO Cc1cnc(CC[N@@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000157420704 935071752 /nfs/dbraw/zinc/07/17/52/935071752.db2.gz IYTCBANEGNALIN-GFCCVEGCSA-N 1 0 373.438 3.645 20 5 FHBDRO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1COc2ccccc2O1 ZINC000071969813 935129858 /nfs/dbraw/zinc/12/98/58/935129858.db2.gz SQEIGOMBZRTDNT-SFHVURJKSA-N 1 0 356.422 3.689 20 5 FHBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000472140774 935172031 /nfs/dbraw/zinc/17/20/31/935172031.db2.gz TYGOJQPGQAKNKI-DLGQBQFBSA-N 1 0 350.802 3.925 20 5 FHBDRO Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2C)[NH+]2CCCC2)cc1 ZINC000072064487 935265041 /nfs/dbraw/zinc/26/50/41/935265041.db2.gz PFMBYMXWGMQJRC-FQEVSTJZSA-N 1 0 367.449 3.779 20 5 FHBDRO CC(C)([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000551447724 935286089 /nfs/dbraw/zinc/28/60/89/935286089.db2.gz KRHJXBZKIALNQM-HNNXBMFYSA-N 1 0 364.829 3.513 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)cc1[N+](=O)[O-] ZINC000119956938 935361476 /nfs/dbraw/zinc/36/14/76/935361476.db2.gz WBFPTSZSAXOCKQ-UKRRQHHQSA-N 1 0 360.845 3.881 20 5 FHBDRO C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000158132832 935588826 /nfs/dbraw/zinc/58/88/26/935588826.db2.gz MNGJMYBUVPIAGY-PXAZEXFGSA-N 1 0 364.492 3.842 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000511785139 945110953 /nfs/dbraw/zinc/11/09/53/945110953.db2.gz IYROCCUZXZUGIR-VAMGGRTRSA-N 1 0 368.433 3.608 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000158562610 935635199 /nfs/dbraw/zinc/63/51/99/935635199.db2.gz LJTUCBOGWHJXFE-QAPCUYQASA-N 1 0 372.469 3.692 20 5 FHBDRO Cc1c(C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)cccc1[N+](=O)[O-] ZINC000478509806 935639729 /nfs/dbraw/zinc/63/97/29/935639729.db2.gz VOASCCFCZIWBBT-UHFFFAOYSA-N 1 0 361.392 3.940 20 5 FHBDRO O=C1C[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ccccc2N1 ZINC000375712409 935780158 /nfs/dbraw/zinc/78/01/58/935780158.db2.gz RYZLOSLKLCNZRJ-RDTXWAMCSA-N 1 0 351.406 3.688 20 5 FHBDRO CCN(C)C(=O)C[NH2+]Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000479601756 935867812 /nfs/dbraw/zinc/86/78/12/935867812.db2.gz FZXIPQWPAQNPLF-UHFFFAOYSA-N 1 0 373.478 3.622 20 5 FHBDRO O=[N+]([O-])c1ccc2ncnc(Nc3ccc(CC[NH+]4CCCC4)cc3)c2c1 ZINC000611705358 935947263 /nfs/dbraw/zinc/94/72/63/935947263.db2.gz DTTUBUKZIWNOJP-UHFFFAOYSA-N 1 0 363.421 3.920 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611707499 935948989 /nfs/dbraw/zinc/94/89/89/935948989.db2.gz NOZJBGQAKMMFRM-HZPDHXFCSA-N 1 0 369.469 3.629 20 5 FHBDRO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H](C)Cc1ccsc1 ZINC000187781625 935966081 /nfs/dbraw/zinc/96/60/81/935966081.db2.gz XUHCITRESHNXMX-CQSZACIVSA-N 1 0 361.467 3.856 20 5 FHBDRO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H](C)Cc1ccsc1 ZINC000187781603 935967769 /nfs/dbraw/zinc/96/77/69/935967769.db2.gz XUHCITRESHNXMX-AWEZNQCLSA-N 1 0 361.467 3.856 20 5 FHBDRO O=[N+]([O-])c1ccc2ncnc(N3CCC[C@H](C[NH+]4CCCCCC4)C3)c2c1 ZINC000611710725 935972081 /nfs/dbraw/zinc/97/20/81/935972081.db2.gz NPSPEIPDVVKLHS-MRXNPFEDSA-N 1 0 369.469 3.630 20 5 FHBDRO COc1cc(C[NH2+][C@H]2CCC(F)(F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611520761 935978439 /nfs/dbraw/zinc/97/84/39/935978439.db2.gz UEZQTRYLBNEMPB-JTQLQIEISA-N 1 0 366.311 3.525 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611707502 936032522 /nfs/dbraw/zinc/03/25/22/936032522.db2.gz NOZJBGQAKMMFRM-JKSUJKDBSA-N 1 0 369.469 3.629 20 5 FHBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000472255097 936077056 /nfs/dbraw/zinc/07/70/56/936077056.db2.gz HJUSHMOEPHDDOT-LBPRGKRZSA-N 1 0 356.348 3.893 20 5 FHBDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178654815 936086968 /nfs/dbraw/zinc/08/69/68/936086968.db2.gz MPSVTKPARMDJNP-MLGOLLRUSA-N 1 0 359.813 3.704 20 5 FHBDRO Cc1cc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611928072 936092332 /nfs/dbraw/zinc/09/23/32/936092332.db2.gz HNEQBJIAJVCZBN-MEBBXXQBSA-N 1 0 355.316 3.607 20 5 FHBDRO Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178682008 936173498 /nfs/dbraw/zinc/17/34/98/936173498.db2.gz RARKZFYTJPXAPB-IAGOWNOFSA-N 1 0 369.465 3.909 20 5 FHBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001167625226 936191848 /nfs/dbraw/zinc/19/18/48/936191848.db2.gz HMCIAAKIQXBUFE-UHFFFAOYSA-N 1 0 355.442 3.537 20 5 FHBDRO C[NH+](C)CCOc1ccc(CNc2ccc([N+](=O)[O-])c3cnccc23)cc1 ZINC000052407979 938291730 /nfs/dbraw/zinc/29/17/30/938291730.db2.gz KDJQBWJDVDQFHB-UHFFFAOYSA-N 1 0 366.421 3.696 20 5 FHBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccncc3)CC2)c2ncccc12 ZINC000052447939 938309970 /nfs/dbraw/zinc/30/99/70/938309970.db2.gz DHVHHEZXCGYQHO-UHFFFAOYSA-N 1 0 363.421 3.615 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000583829074 938434511 /nfs/dbraw/zinc/43/45/11/938434511.db2.gz JWKUJRPFLZJBND-HNNXBMFYSA-N 1 0 371.437 3.980 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C1CC1)C1CCCCC1 ZINC000052664757 938470530 /nfs/dbraw/zinc/47/05/30/938470530.db2.gz ABRIDIFTFSIWAJ-UHFFFAOYSA-N 1 0 361.442 3.729 20 5 FHBDRO C[C@H](C1CCCCC1)[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000584006354 938536754 /nfs/dbraw/zinc/53/67/54/938536754.db2.gz UDKIHTGHZDFPKK-CQSZACIVSA-N 1 0 361.442 3.793 20 5 FHBDRO CC1(C)C[C@H]([NH2+]Cc2cccnc2-n2ccnc2)c2cc([N+](=O)[O-])ccc21 ZINC000278600400 938574200 /nfs/dbraw/zinc/57/42/00/938574200.db2.gz AOTOVMYXQVBIFZ-SFHVURJKSA-N 1 0 363.421 3.688 20 5 FHBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)CCCc2ccccc2)cccc1[N+](=O)[O-] ZINC000052802823 938594439 /nfs/dbraw/zinc/59/44/39/938594439.db2.gz WOFIWXNNOXVGJJ-INIZCTEOSA-N 1 0 355.438 3.795 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCCc1ccccc1 ZINC000052802805 938595723 /nfs/dbraw/zinc/59/57/23/938595723.db2.gz VESYUAPKQIULRP-UHFFFAOYSA-N 1 0 355.438 3.796 20 5 FHBDRO Cc1c(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000584191554 938636962 /nfs/dbraw/zinc/63/69/62/938636962.db2.gz MICLLDJMCXUWRS-CRAIPNDOSA-N 1 0 368.437 3.688 20 5 FHBDRO O=C(CC[NH2+][C@@H]1CCSc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000548826110 938824617 /nfs/dbraw/zinc/82/46/17/938824617.db2.gz QSUXHYORBUEHAJ-CQSZACIVSA-N 1 0 357.435 3.750 20 5 FHBDRO O=C(CC[NH2+]Cc1csc2ccccc12)Nc1ccccc1[N+](=O)[O-] ZINC000548826062 938824676 /nfs/dbraw/zinc/82/46/76/938824676.db2.gz INCBLZLCOKZUCQ-UHFFFAOYSA-N 1 0 355.419 3.928 20 5 FHBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000065675113 938858412 /nfs/dbraw/zinc/85/84/12/938858412.db2.gz FIXVXNAPHWIHPL-QWHCGFSZSA-N 1 0 361.467 3.660 20 5 FHBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000289875021 938863994 /nfs/dbraw/zinc/86/39/94/938863994.db2.gz ZHJZAOTYTRRAIN-ZDUSSCGKSA-N 1 0 366.849 3.588 20 5 FHBDRO CSc1ccc([C@H](CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000584432850 938871581 /nfs/dbraw/zinc/87/15/81/938871581.db2.gz YWCOZWWPAWXDRS-SFHVURJKSA-N 1 0 373.478 3.658 20 5 FHBDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)cc1[N+](=O)[O-] ZINC000573263485 938908647 /nfs/dbraw/zinc/90/86/47/938908647.db2.gz UQGUQHWZQKPEQV-ITQYTPKQSA-N 1 0 362.470 3.755 20 5 FHBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cc1O ZINC000179139256 938978985 /nfs/dbraw/zinc/97/89/85/938978985.db2.gz HDQMCOVSOWFUGU-DOTOQJQBSA-N 1 0 356.422 3.810 20 5 FHBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1cccs1 ZINC000179176298 938983288 /nfs/dbraw/zinc/98/32/88/938983288.db2.gz IBJXUKKAMSEGGW-UHFFFAOYSA-N 1 0 363.439 3.516 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000472341979 939001192 /nfs/dbraw/zinc/00/11/92/939001192.db2.gz IBFIPHMORVLIFN-WMZOPIPTSA-N 1 0 367.449 3.795 20 5 FHBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)ccc1[N+](=O)[O-] ZINC000550286072 945220451 /nfs/dbraw/zinc/22/04/51/945220451.db2.gz CVPDYFFFLWKRQC-ZDUSSCGKSA-N 1 0 370.384 3.779 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](C4OCCO4)C3)s2)cc1 ZINC000179367162 939096796 /nfs/dbraw/zinc/09/67/96/939096796.db2.gz VGNVNOCTQAAUNB-HNNXBMFYSA-N 1 0 374.462 3.908 20 5 FHBDRO COc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(Cl)c1OC ZINC000106367098 945256218 /nfs/dbraw/zinc/25/62/18/945256218.db2.gz QWYYHGSKOHKLOE-UHFFFAOYSA-N 1 0 350.802 3.598 20 5 FHBDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])c1C ZINC000544143120 945277544 /nfs/dbraw/zinc/27/75/44/945277544.db2.gz YCKHOPOAJSKMAI-PKOBYXMFSA-N 1 0 370.449 3.788 20 5 FHBDRO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000179712346 939924636 /nfs/dbraw/zinc/92/46/36/939924636.db2.gz SOYNYNGOXJXHHZ-OAHLLOKOSA-N 1 0 368.393 3.926 20 5 FHBDRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411269274 940020481 /nfs/dbraw/zinc/02/04/81/940020481.db2.gz NQXDWSLNNSUNJO-VQTJNVASSA-N 1 0 365.433 3.933 20 5 FHBDRO CC[NH+](CC)Cc1ccc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000615728648 940092936 /nfs/dbraw/zinc/09/29/36/940092936.db2.gz JDYWZJDISBGHQR-UHFFFAOYSA-N 1 0 371.437 3.820 20 5 FHBDRO Cc1ccc([C@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000136688005 940115701 /nfs/dbraw/zinc/11/57/01/940115701.db2.gz JPDJALJOHLPXDF-INIZCTEOSA-N 1 0 361.829 3.589 20 5 FHBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1Oc2ccccc2[C@H]1C ZINC000612530859 940127060 /nfs/dbraw/zinc/12/70/60/940127060.db2.gz WSDWQROWVYLUPY-UFYHVXEKSA-N 1 0 353.378 3.779 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000365479508 940172267 /nfs/dbraw/zinc/17/22/67/940172267.db2.gz DQKHCFHJCJFVCI-CXAGYDPISA-N 1 0 374.466 3.779 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)o1 ZINC000092072452 940316340 /nfs/dbraw/zinc/31/63/40/940316340.db2.gz LHNQWTNZUQYISD-AWEZNQCLSA-N 1 0 352.394 3.958 20 5 FHBDRO CCOc1cc(NCC2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000180044878 940320189 /nfs/dbraw/zinc/32/01/89/940320189.db2.gz GNVWRFFWAITGGS-UHFFFAOYSA-N 1 0 356.426 3.717 20 5 FHBDRO Cc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(-c2ccnn2C)c1 ZINC000548980705 940416572 /nfs/dbraw/zinc/41/65/72/940416572.db2.gz PLMIDFIPEITLAB-UHFFFAOYSA-N 1 0 350.422 3.902 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000124830687 945322846 /nfs/dbraw/zinc/32/28/46/945322846.db2.gz QBUNYBPFQXFLCE-ZDUSSCGKSA-N 1 0 358.394 3.711 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(c3ncccc3F)C1)CCCC2 ZINC000580412211 940474347 /nfs/dbraw/zinc/47/43/47/940474347.db2.gz HLMRMOAWBPUXKT-DNVCBOLYSA-N 1 0 370.428 3.765 20 5 FHBDRO Cn1nccc1C1=CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000580483425 940476516 /nfs/dbraw/zinc/47/65/16/940476516.db2.gz DJYSQKBKNUSDOI-UHFFFAOYSA-N 1 0 364.405 3.878 20 5 FHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000580798236 940487543 /nfs/dbraw/zinc/48/75/43/940487543.db2.gz YSKDRWWMIIMHJG-MGPUTAFESA-N 1 0 358.413 3.722 20 5 FHBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000581703519 940589869 /nfs/dbraw/zinc/58/98/69/940589869.db2.gz BALYSORLIXCDGC-VDZJLULYSA-N 1 0 361.486 3.715 20 5 FHBDRO O=C(NCCCCC[NH+]1CCCCC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470129705 940778381 /nfs/dbraw/zinc/77/83/81/940778381.db2.gz ZSZIDEMWISQBGB-UHFFFAOYSA-N 1 0 352.410 3.512 20 5 FHBDRO CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000414250605 940834340 /nfs/dbraw/zinc/83/43/40/940834340.db2.gz BJVGFRBAMWSEOR-VXGBXAGGSA-N 1 0 361.364 3.880 20 5 FHBDRO CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000414250603 940834427 /nfs/dbraw/zinc/83/44/27/940834427.db2.gz BJVGFRBAMWSEOR-RYUDHWBXSA-N 1 0 361.364 3.880 20 5 FHBDRO CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000414260701 940854278 /nfs/dbraw/zinc/85/42/78/940854278.db2.gz IQZGVBFSNHHUEH-VXGBXAGGSA-N 1 0 361.364 3.880 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000414287859 940896810 /nfs/dbraw/zinc/89/68/10/940896810.db2.gz KSXZYGSQXYWELC-HQRMLTQVSA-N 1 0 372.440 3.811 20 5 FHBDRO CCC[C@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000310826839 940907054 /nfs/dbraw/zinc/90/70/54/940907054.db2.gz IFUHWGNQOMQPNX-BBRMVZONSA-N 1 0 351.447 3.939 20 5 FHBDRO CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000310870102 940962544 /nfs/dbraw/zinc/96/25/44/940962544.db2.gz ZIHRSEWTHWYFRG-SFHVURJKSA-N 1 0 351.447 3.624 20 5 FHBDRO CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186328621 940977791 /nfs/dbraw/zinc/97/77/91/940977791.db2.gz YQOAZGJTQMBPQG-IBGZPJMESA-N 1 0 367.449 3.640 20 5 FHBDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000176114192 940992054 /nfs/dbraw/zinc/99/20/54/940992054.db2.gz SJSOPILYDBZWNP-VQIMIIECSA-N 1 0 367.449 3.686 20 5 FHBDRO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180400528 940999560 /nfs/dbraw/zinc/99/95/60/940999560.db2.gz RCFBCNCZDAGHAT-CVEARBPZSA-N 1 0 355.438 3.683 20 5 FHBDRO Cc1cc(=O)oc2cc(OCC[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)ccc12 ZINC000180405661 941006904 /nfs/dbraw/zinc/00/69/04/941006904.db2.gz RBXWQKPHKOYZNM-AWEZNQCLSA-N 1 0 368.389 3.739 20 5 FHBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000180437125 941014775 /nfs/dbraw/zinc/01/47/75/941014775.db2.gz VQOOGVIUVDOLPC-NSHDSACASA-N 1 0 367.327 3.903 20 5 FHBDRO C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000180441575 941014920 /nfs/dbraw/zinc/01/49/20/941014920.db2.gz VWRVXFQLUHYITD-MLGOLLRUSA-N 1 0 368.355 3.868 20 5 FHBDRO C[C@H]([NH2+]CC(=O)N1c2ccccc2CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180442121 941014954 /nfs/dbraw/zinc/01/49/54/941014954.db2.gz JVABHUOSSPSJCX-GJZGRUSLSA-N 1 0 353.422 3.613 20 5 FHBDRO CC(C)[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000180444352 941017481 /nfs/dbraw/zinc/01/74/81/941017481.db2.gz ZBPOIUSEFHROEZ-XOBRGWDASA-N 1 0 373.428 3.898 20 5 FHBDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000511507692 941033936 /nfs/dbraw/zinc/03/39/36/941033936.db2.gz QXOIJGQPDCJCQZ-NKAACUPNSA-N 1 0 359.470 3.625 20 5 FHBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCCOC[C@@H]2CCOC2)c2ccccc2)c1 ZINC000180604865 941052464 /nfs/dbraw/zinc/05/24/64/941052464.db2.gz ZNMZEBKAWYRDDV-UWJYYQICSA-N 1 0 370.449 3.717 20 5 FHBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C12CCCC2 ZINC000472599694 941058606 /nfs/dbraw/zinc/05/86/06/941058606.db2.gz NZPPLCAKJKXUMM-WCXIOVBPSA-N 1 0 362.474 3.602 20 5 FHBDRO CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)C2)ncn1 ZINC000180775007 941074778 /nfs/dbraw/zinc/07/47/78/941074778.db2.gz SXESFROMVLVLAC-DOTOQJQBSA-N 1 0 369.469 3.575 20 5 FHBDRO COc1cc(C)c(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)n1 ZINC000540998339 941085289 /nfs/dbraw/zinc/08/52/89/941085289.db2.gz RIRBTWMXJGAEKO-UHFFFAOYSA-N 1 0 371.437 3.659 20 5 FHBDRO COCCO[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000188814435 941095744 /nfs/dbraw/zinc/09/57/44/941095744.db2.gz XAWAHTXJBRUITO-AWEZNQCLSA-N 1 0 362.451 3.561 20 5 FHBDRO COCCO[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000188814657 941095793 /nfs/dbraw/zinc/09/57/93/941095793.db2.gz RXSGOWIRVLSMKZ-MRXNPFEDSA-N 1 0 362.451 3.561 20 5 FHBDRO Cc1cc(NC[C@@H](c2ccco2)[NH+](C)C)c(Br)cc1[N+](=O)[O-] ZINC000302645190 941122405 /nfs/dbraw/zinc/12/24/05/941122405.db2.gz FMASVMRBCWDGLW-AWEZNQCLSA-N 1 0 368.231 3.974 20 5 FHBDRO COc1cc(Br)ccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000189184818 941150970 /nfs/dbraw/zinc/15/09/70/941150970.db2.gz INSCUEQERJNISJ-UHFFFAOYSA-N 1 0 365.227 3.964 20 5 FHBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000189483599 941158856 /nfs/dbraw/zinc/15/88/56/941158856.db2.gz IXHUECBZAHJSRV-NVXWUHKLSA-N 1 0 365.499 3.886 20 5 FHBDRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000189510614 941159558 /nfs/dbraw/zinc/15/95/58/941159558.db2.gz LASRKPNNZTZCEO-JGGQBBKZSA-N 1 0 351.472 3.576 20 5 FHBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000189518549 941159556 /nfs/dbraw/zinc/15/95/56/941159556.db2.gz JSYIPAAEDQYUIN-NVXWUHKLSA-N 1 0 365.499 3.886 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000189602337 941214317 /nfs/dbraw/zinc/21/43/17/941214317.db2.gz IHBIFOCMFWTIBY-CXFYGJIZSA-N 1 0 358.360 3.681 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000189912473 941299364 /nfs/dbraw/zinc/29/93/64/941299364.db2.gz SUIWSZQKICJBRF-AWEZNQCLSA-N 1 0 352.394 3.640 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000414591183 941388824 /nfs/dbraw/zinc/38/88/24/941388824.db2.gz YKUATOFSKKVEHY-KGLIPLIRSA-N 1 0 360.410 3.504 20 5 FHBDRO CCC[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000181524012 941425322 /nfs/dbraw/zinc/42/53/22/941425322.db2.gz VDTNVFOIFMKMNX-HUUCEWRRSA-N 1 0 373.375 3.579 20 5 FHBDRO [NH3+]CC[C@@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(F)F ZINC000414985049 941532943 /nfs/dbraw/zinc/53/29/43/941532943.db2.gz FGIVSZKPPOAEHS-CQSZACIVSA-N 1 0 369.343 3.598 20 5 FHBDRO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](C)c1ccccc1 ZINC000181537702 941538270 /nfs/dbraw/zinc/53/82/70/941538270.db2.gz CSTUKUGQXNWXJQ-UONOGXRCSA-N 1 0 352.394 3.927 20 5 FHBDRO CN(CC(C)(C)C[NH3+])C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415187194 941660342 /nfs/dbraw/zinc/66/03/42/941660342.db2.gz DLKZCKXULCUEMV-UHFFFAOYSA-N 1 0 372.425 3.836 20 5 FHBDRO C[NH2+][C@H]1CCCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000415190100 941664209 /nfs/dbraw/zinc/66/42/09/941664209.db2.gz HKHJCROLERRHLO-HNNXBMFYSA-N 1 0 370.409 3.603 20 5 FHBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC[C@@H]1O ZINC000190054762 941722668 /nfs/dbraw/zinc/72/26/68/941722668.db2.gz ZTCPBZKGERDIOX-BZNIZROVSA-N 1 0 350.802 3.711 20 5 FHBDRO Cc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)c(Br)cc1[N+](=O)[O-] ZINC000473525796 941765210 /nfs/dbraw/zinc/76/52/10/941765210.db2.gz ZYAXCYHZGUPWAL-ZDUSSCGKSA-N 1 0 368.275 3.730 20 5 FHBDRO CSC[C@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000120680237 941765772 /nfs/dbraw/zinc/76/57/72/941765772.db2.gz PMGXUJORUIUMDT-MRXNPFEDSA-N 1 0 370.858 3.712 20 5 FHBDRO Cc1ccc(-c2noc([C@H](C)[NH2+]CCc3ccc([N+](=O)[O-])cc3)n2)cc1F ZINC000513205700 941781065 /nfs/dbraw/zinc/78/10/65/941781065.db2.gz POYFIAKCTKQNHG-ZDUSSCGKSA-N 1 0 370.384 3.986 20 5 FHBDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000513232309 941790079 /nfs/dbraw/zinc/79/00/79/941790079.db2.gz NNASNFBPAHVONQ-MDASCCDHSA-N 1 0 353.422 3.848 20 5 FHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000468604975 941821088 /nfs/dbraw/zinc/82/10/88/941821088.db2.gz FISWDXNHRYDMRL-WDZFZDKYSA-N 1 0 354.332 3.540 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000513275778 941826095 /nfs/dbraw/zinc/82/60/95/941826095.db2.gz KCCOKIHWRSJJKU-AUUYWEPGSA-N 1 0 353.422 3.925 20 5 FHBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000136812279 941875342 /nfs/dbraw/zinc/87/53/42/941875342.db2.gz SQIWBSINYUBDFB-SFHVURJKSA-N 1 0 367.405 3.649 20 5 FHBDRO CC(C)[C@H](C)[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000433782232 941888814 /nfs/dbraw/zinc/88/88/14/941888814.db2.gz HRLRDQGVJRBHEU-LBPRGKRZSA-N 1 0 362.455 3.633 20 5 FHBDRO Cc1cccc(C[NH+]2CCC(NC(=O)c3c(C)cccc3[N+](=O)[O-])CC2)c1 ZINC000365671323 941945073 /nfs/dbraw/zinc/94/50/73/941945073.db2.gz JSLJJUYBGGUWHC-UHFFFAOYSA-N 1 0 367.449 3.606 20 5 FHBDRO COc1cc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OC ZINC000513472451 941951738 /nfs/dbraw/zinc/95/17/38/941951738.db2.gz FMSBPYDSPWHRTK-CQSZACIVSA-N 1 0 360.385 3.741 20 5 FHBDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000513488479 941959825 /nfs/dbraw/zinc/95/98/25/941959825.db2.gz VTZATUYMNGZQGU-IEBWSBKVSA-N 1 0 353.466 3.985 20 5 FHBDRO C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182817237 941971874 /nfs/dbraw/zinc/97/18/74/941971874.db2.gz MTLCLZHGEVLJCV-HIFRSBDPSA-N 1 0 372.469 3.544 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000182877697 941977337 /nfs/dbraw/zinc/97/73/37/941977337.db2.gz NMLRWIKEAVDJKJ-INIZCTEOSA-N 1 0 359.470 3.689 20 5 FHBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[C@H](O)CC2)ccc1Oc1ccc(F)cc1 ZINC000513531527 942000701 /nfs/dbraw/zinc/00/07/01/942000701.db2.gz HHMKCKDTJKWLGL-WKILWMFISA-N 1 0 360.385 3.919 20 5 FHBDRO Cc1ccc([C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)[NH+]2CCCC2)o1 ZINC000101735421 942012480 /nfs/dbraw/zinc/01/24/80/942012480.db2.gz PKRDYHCDWPXZPL-KRWDZBQOSA-N 1 0 372.425 3.763 20 5 FHBDRO COc1cc(C[N@H+](C)C[C@@H]2CC=CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000544107057 942037830 /nfs/dbraw/zinc/03/78/30/942037830.db2.gz BRYZVQWWEAPYES-GFCCVEGCSA-N 1 0 356.369 3.993 20 5 FHBDRO CCOCc1ccccc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000122687778 942055525 /nfs/dbraw/zinc/05/55/25/942055525.db2.gz UJPWWNRGINWMGX-UHFFFAOYSA-N 1 0 369.465 3.890 20 5 FHBDRO COCCC1(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000513671588 942066550 /nfs/dbraw/zinc/06/65/50/942066550.db2.gz DABMEAVMUYPEFD-SFHVURJKSA-N 1 0 372.469 3.604 20 5 FHBDRO COc1ccc([C@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C(C)C)cc1 ZINC000102693173 942083468 /nfs/dbraw/zinc/08/34/68/942083468.db2.gz NOEDRSMUGSNINB-HXUWFJFHSA-N 1 0 371.437 3.837 20 5 FHBDRO C/C(=C/c1ccccc1)C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501871810 942090847 /nfs/dbraw/zinc/09/08/47/942090847.db2.gz GSODVLRJODLXKJ-PEZBUJJGSA-N 1 0 353.422 3.959 20 5 FHBDRO Cc1c(CN[C@@H](C)c2ccc(Br)cn2)cccc1[N+](=O)[O-] ZINC000280272527 942147386 /nfs/dbraw/zinc/14/73/86/942147386.db2.gz XZFVDYBIVGRARD-NSHDSACASA-N 1 0 350.216 3.912 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103092813 942201226 /nfs/dbraw/zinc/20/12/26/942201226.db2.gz LJHANYGTIARGSV-KRWDZBQOSA-N 1 0 359.470 3.631 20 5 FHBDRO Cn1ccnc1[C@@H](N[C@H]1C[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000280618606 942214730 /nfs/dbraw/zinc/21/47/30/942214730.db2.gz FJZMFJNTECXLHU-BJLQDIEVSA-N 1 0 362.433 3.954 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183188861 942224155 /nfs/dbraw/zinc/22/41/55/942224155.db2.gz FROZMUXXVVIJQK-UHFFFAOYSA-N 1 0 354.332 3.647 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000085634755 942269968 /nfs/dbraw/zinc/26/99/68/942269968.db2.gz CKMVPGGURZFXJI-UHFFFAOYSA-N 1 0 356.426 3.595 20 5 FHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413084356 942272067 /nfs/dbraw/zinc/27/20/67/942272067.db2.gz UQHOWFISATYIHO-JHJVBQTASA-N 1 0 372.391 3.850 20 5 FHBDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000481082468 942317550 /nfs/dbraw/zinc/31/75/50/942317550.db2.gz NIYQBWFJYJVMSW-HIFRSBDPSA-N 1 0 361.442 3.697 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000085637639 942333209 /nfs/dbraw/zinc/33/32/09/942333209.db2.gz YQZVPIHJDSRWQE-OAHLLOKOSA-N 1 0 370.453 3.854 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000085637516 942337484 /nfs/dbraw/zinc/33/74/84/942337484.db2.gz BUOLEPQIZVHOBN-KRWDZBQOSA-N 1 0 370.453 3.506 20 5 FHBDRO Cc1[nH+]c2cc(NCc3ccc(C)c([N+](=O)[O-])c3)ccc2n1[C@@H](C)CO ZINC000419761509 942373285 /nfs/dbraw/zinc/37/32/85/942373285.db2.gz KGEPHCJMHLPRDL-ZDUSSCGKSA-N 1 0 354.410 3.727 20 5 FHBDRO Cc1ccc([C@H](C)NC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000416169550 942428035 /nfs/dbraw/zinc/42/80/35/942428035.db2.gz FPFCLXONVLFSDP-HNAYVOBHSA-N 1 0 355.438 3.773 20 5 FHBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2F)CC1 ZINC000366828335 942442143 /nfs/dbraw/zinc/44/21/43/942442143.db2.gz YHOXHHZKWBGSBF-CQSZACIVSA-N 1 0 371.412 3.689 20 5 FHBDRO C[NH+](C)[C@H](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000416184655 942450394 /nfs/dbraw/zinc/45/03/94/942450394.db2.gz PSCUUZKOVBQNOK-HXUWFJFHSA-N 1 0 367.449 3.779 20 5 FHBDRO Cc1nn(C)c(NC[C@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000513745092 942451320 /nfs/dbraw/zinc/45/13/20/942451320.db2.gz UOHCQLUYPZDSAY-YOEHRIQHSA-N 1 0 359.474 3.814 20 5 FHBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000413199106 942457620 /nfs/dbraw/zinc/45/76/20/942457620.db2.gz IRTKPKAKPFSSCB-DNVCBOLYSA-N 1 0 352.438 3.596 20 5 FHBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000549405455 942464239 /nfs/dbraw/zinc/46/42/39/942464239.db2.gz RPIMPIODGQBFRQ-HNNXBMFYSA-N 1 0 357.376 3.674 20 5 FHBDRO Cn1cc(C[N@H+](C)C2CC(OC(C)(C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000421375578 942525689 /nfs/dbraw/zinc/52/56/89/942525689.db2.gz QMXUVKFAQAISQB-UHFFFAOYSA-N 1 0 372.469 3.773 20 5 FHBDRO CC[C@H](C)C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000421392135 942543618 /nfs/dbraw/zinc/54/36/18/942543618.db2.gz XGKDEDBIWGJOBP-JTQLQIEISA-N 1 0 350.337 3.680 20 5 FHBDRO CCCn1nccc1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OCC)CC1 ZINC000501557069 942548206 /nfs/dbraw/zinc/54/82/06/942548206.db2.gz ZXCZKYZUSPPPTH-UHFFFAOYSA-N 1 0 372.469 3.980 20 5 FHBDRO O=C(C[NH2+][C@H](c1ccccc1)C1CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000104697792 942597262 /nfs/dbraw/zinc/59/72/62/942597262.db2.gz CKJWZPMDMZNJGJ-OAQYLSRUSA-N 1 0 365.433 3.615 20 5 FHBDRO CC[C@@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000431863557 942700637 /nfs/dbraw/zinc/70/06/37/942700637.db2.gz FYULFTHLFPACCC-MOPGFXCFSA-N 1 0 355.438 3.855 20 5 FHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000378408784 942726735 /nfs/dbraw/zinc/72/67/35/942726735.db2.gz AMCJTJXUDHCMIM-LPHOPBHVSA-N 1 0 371.481 3.770 20 5 FHBDRO C[C@H](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCCC1 ZINC000182452086 942741024 /nfs/dbraw/zinc/74/10/24/942741024.db2.gz OZSHGSAGFBCPGA-GFCCVEGCSA-N 1 0 354.838 3.634 20 5 FHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421680104 942755217 /nfs/dbraw/zinc/75/52/17/942755217.db2.gz PZDDRCWMULYUEX-UHFFFAOYSA-N 1 0 365.499 3.698 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000421770958 942814289 /nfs/dbraw/zinc/81/42/89/942814289.db2.gz LDFSHFZDLGRBKQ-ZWKOTPCHSA-N 1 0 373.497 3.938 20 5 FHBDRO O=[N+]([O-])c1cccc([C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2)c1 ZINC000378494347 942827133 /nfs/dbraw/zinc/82/71/33/942827133.db2.gz KXJUKPAXOZSNRW-SFHLNBCPSA-N 1 0 351.450 3.901 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C(=O)Nc2cccnc2)CC1 ZINC000378510007 942837720 /nfs/dbraw/zinc/83/77/20/942837720.db2.gz YWUJAJMKQBUHBV-OAHLLOKOSA-N 1 0 368.437 3.710 20 5 FHBDRO CCCN1C[C@@H](C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000421880197 942862268 /nfs/dbraw/zinc/86/22/68/942862268.db2.gz OEEOSDDSWZAXJO-IIBYNOLFSA-N 1 0 367.449 3.532 20 5 FHBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)C1 ZINC000430114277 942927174 /nfs/dbraw/zinc/92/71/74/942927174.db2.gz CASZZYYLDLPXPG-LJQANCHMSA-N 1 0 357.479 3.851 20 5 FHBDRO CCOc1ccccc1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236941965 942936420 /nfs/dbraw/zinc/93/64/20/942936420.db2.gz YXVNTXBLQMISFI-UHFFFAOYSA-N 1 0 366.421 3.684 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3CCCC[N@@H+]3C3CC3)cs2)c1 ZINC000434782730 942961659 /nfs/dbraw/zinc/96/16/59/942961659.db2.gz DNKHFCZPYJOEQX-SFHVURJKSA-N 1 0 372.494 3.825 20 5 FHBDRO O=[N+]([O-])c1cccc(OCC[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000505552604 943009309 /nfs/dbraw/zinc/00/93/09/943009309.db2.gz BLVKDXCBRBMSDF-FQEVSTJZSA-N 1 0 356.422 3.655 20 5 FHBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000505559555 943029923 /nfs/dbraw/zinc/02/99/23/943029923.db2.gz LGFLHXOIDRKPHO-SFHVURJKSA-N 1 0 356.422 3.655 20 5 FHBDRO COc1cc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000425235761 943033347 /nfs/dbraw/zinc/03/33/47/943033347.db2.gz IWHYKKWVCZFFMU-AWEZNQCLSA-N 1 0 356.426 3.636 20 5 FHBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000434895767 943034125 /nfs/dbraw/zinc/03/41/25/943034125.db2.gz NBGOYQORBFCDCA-BFYDXBDKSA-N 1 0 353.422 3.800 20 5 FHBDRO C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505602929 943151017 /nfs/dbraw/zinc/15/10/17/943151017.db2.gz BERDRWWVQRXQCP-SJCJKPOMSA-N 1 0 361.829 3.669 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000503401475 943163583 /nfs/dbraw/zinc/16/35/83/943163583.db2.gz CKRQPCNFKYHUQA-ZIAGYGMSSA-N 1 0 365.499 3.652 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000503401473 943163774 /nfs/dbraw/zinc/16/37/74/943163774.db2.gz CKRQPCNFKYHUQA-KGLIPLIRSA-N 1 0 365.499 3.652 20 5 FHBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)cc1 ZINC000435126973 943181566 /nfs/dbraw/zinc/18/15/66/943181566.db2.gz SURCVFBEOSWNCH-UHFFFAOYSA-N 1 0 368.393 3.621 20 5 FHBDRO O=[N+]([O-])c1cc(CN2CCC3(CC[NH2+]3)CC2)ccc1Oc1ccc(F)cc1 ZINC000422560828 943181676 /nfs/dbraw/zinc/18/16/76/943181676.db2.gz HUXVSIDZQKPTDU-UHFFFAOYSA-N 1 0 371.412 3.854 20 5 FHBDRO O=C(CC[NH2+][C@H]1CCCc2c(F)cccc21)Nc1ccccc1[N+](=O)[O-] ZINC000514669103 943203903 /nfs/dbraw/zinc/20/39/03/943203903.db2.gz SXESNBLWZGVZSI-INIZCTEOSA-N 1 0 357.385 3.730 20 5 FHBDRO Cc1cccc2c1OC[C@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C2 ZINC000514696037 943228400 /nfs/dbraw/zinc/22/84/00/943228400.db2.gz IBSBDZHDJAGDQL-RTBURBONSA-N 1 0 352.434 3.818 20 5 FHBDRO C[C@]1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000162331790 943333360 /nfs/dbraw/zinc/33/33/60/943333360.db2.gz JRGGNQMZCNPODC-HXUWFJFHSA-N 1 0 371.412 3.518 20 5 FHBDRO CC[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000120269179 943352867 /nfs/dbraw/zinc/35/28/67/943352867.db2.gz HLDLQGVNKNJBAN-QGZVFWFLSA-N 1 0 361.829 3.952 20 5 FHBDRO CCCN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC[NH2+]CC1 ZINC000435369586 943363432 /nfs/dbraw/zinc/36/34/32/943363432.db2.gz FITGEIAWLSBHNY-UHFFFAOYSA-N 1 0 360.483 3.682 20 5 FHBDRO COc1cc(C[NH2+][C@@H]2C[C@H]2C2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000425356948 943364511 /nfs/dbraw/zinc/36/45/11/943364511.db2.gz REMVHLKGAHEPGB-QWHCGFSZSA-N 1 0 356.369 3.526 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]CC[C@@H]3CCCCO3)o2)c([N+](=O)[O-])c1 ZINC000503929399 943421107 /nfs/dbraw/zinc/42/11/07/943421107.db2.gz QOEYZYXYKAXZPD-AWEZNQCLSA-N 1 0 360.410 3.912 20 5 FHBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000467208880 943478795 /nfs/dbraw/zinc/47/87/95/943478795.db2.gz VGAUTCRMPMPBDD-OCCSQVGLSA-N 1 0 374.466 3.777 20 5 FHBDRO Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423352156 943487685 /nfs/dbraw/zinc/48/76/85/943487685.db2.gz JXNJYYVCKBGSLG-KSZLIROESA-N 1 0 355.442 3.524 20 5 FHBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CN1C(=O)OC(C)(C)C ZINC000690822924 943514348 /nfs/dbraw/zinc/51/43/48/943514348.db2.gz JMZGVDPVJIILCC-DGCLKSJQSA-N 1 0 355.460 3.534 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)ccc1CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435629303 943528020 /nfs/dbraw/zinc/52/80/20/943528020.db2.gz TXESLYONJWHTAL-SFHVURJKSA-N 1 0 374.872 3.788 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)ccc1CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435629302 943528255 /nfs/dbraw/zinc/52/82/55/943528255.db2.gz TXESLYONJWHTAL-GOSISDBHSA-N 1 0 374.872 3.788 20 5 FHBDRO CCOc1ccc([C@H](C)NC[C@@H]([NH3+])c2ccccc2CC)cc1[N+](=O)[O-] ZINC000423513083 943542181 /nfs/dbraw/zinc/54/21/81/943542181.db2.gz VAZADTYVRRBQMQ-KBXCAEBGSA-N 1 0 357.454 3.907 20 5 FHBDRO O=[N+]([O-])c1ccccc1CN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435684588 943545070 /nfs/dbraw/zinc/54/50/70/943545070.db2.gz VUFKOBBSDOCVSC-SFHVURJKSA-N 1 0 357.479 3.801 20 5 FHBDRO Cc1ccc([C@@H](C)NC(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000504402624 943616918 /nfs/dbraw/zinc/61/69/18/943616918.db2.gz CBBQEXCXDGQGJB-MRXNPFEDSA-N 1 0 364.490 3.724 20 5 FHBDRO COc1cc(C[NH2+][C@H]2CC23CC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000424186975 943776967 /nfs/dbraw/zinc/77/69/67/943776967.db2.gz UEBWKPNKTCNAML-IBGZPJMESA-N 1 0 354.406 3.825 20 5 FHBDRO [NH3+]C1(c2noc(-c3cc(C(F)(F)F)ccc3[N+](=O)[O-])n2)CCCCC1 ZINC000424338885 943870971 /nfs/dbraw/zinc/87/09/71/943870971.db2.gz BIUCGIRVSDTPKM-UHFFFAOYSA-N 1 0 356.304 3.782 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)Cc1ccccc1 ZINC000504900305 943877163 /nfs/dbraw/zinc/87/71/63/943877163.db2.gz VKXPQBQLDKOIOJ-DLBZAZTESA-N 1 0 360.479 3.659 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2c1cnn2C ZINC000504900437 943877379 /nfs/dbraw/zinc/87/73/79/943877379.db2.gz YBYGDGLDFWGLSA-HIFRSBDPSA-N 1 0 360.483 3.866 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000504893608 943890996 /nfs/dbraw/zinc/89/09/96/943890996.db2.gz GYMKNYLEDGXIBD-LJHODMEESA-N 1 0 358.463 3.713 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCn1nc(C)cc1C ZINC000504905394 943903085 /nfs/dbraw/zinc/90/30/85/943903085.db2.gz IBEITVJQMXOUED-MRXNPFEDSA-N 1 0 362.499 3.959 20 5 FHBDRO C[C@H]([N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1(C)CC1 ZINC000437524210 943903675 /nfs/dbraw/zinc/90/36/75/943903675.db2.gz MHDADYJOICDVQM-LBPRGKRZSA-N 1 0 374.466 3.777 20 5 FHBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000425440635 943923796 /nfs/dbraw/zinc/92/37/96/943923796.db2.gz DZMORKCGMXYWST-OAHLLOKOSA-N 1 0 369.259 3.796 20 5 FHBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)c1 ZINC000584501902 943927088 /nfs/dbraw/zinc/92/70/88/943927088.db2.gz ZZVIBOCSSKMMJE-QGZVFWFLSA-N 1 0 352.394 3.807 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]CCN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000504931555 943928162 /nfs/dbraw/zinc/92/81/62/943928162.db2.gz ZDZJTEMRLLOSMG-INIZCTEOSA-N 1 0 357.454 3.776 20 5 FHBDRO COc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000105448333 943952782 /nfs/dbraw/zinc/95/27/82/943952782.db2.gz ROSLOFXRCXNYIV-UHFFFAOYSA-N 1 0 352.337 3.537 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1 ZINC000511645230 943990901 /nfs/dbraw/zinc/99/09/01/943990901.db2.gz FXOAJAGLMSSOBW-HKBOAZHASA-N 1 0 352.434 3.642 20 5 FHBDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500093946 944084696 /nfs/dbraw/zinc/08/46/96/944084696.db2.gz SWXAIUKYWYEQFH-NVXWUHKLSA-N 1 0 353.422 3.801 20 5 FHBDRO CC1(C)[C@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000425493514 944112353 /nfs/dbraw/zinc/11/23/53/944112353.db2.gz OYGUHUDHCGULEB-YUELXQCFSA-N 1 0 369.259 3.651 20 5 FHBDRO CN(C)C(=O)c1ccccc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418072982 944123076 /nfs/dbraw/zinc/12/30/76/944123076.db2.gz LREOQDMNJLMFMR-QGZVFWFLSA-N 1 0 367.449 3.676 20 5 FHBDRO C[NH2+]C1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 ZINC000584528502 944137485 /nfs/dbraw/zinc/13/74/85/944137485.db2.gz ZAADPXONXAFTQD-UHFFFAOYSA-N 1 0 371.462 3.570 20 5 FHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436303065 944186844 /nfs/dbraw/zinc/18/68/44/944186844.db2.gz BMIVTCZPVVSILL-FRRDWIJNSA-N 1 0 372.391 3.850 20 5 FHBDRO C[NH+](C)[C@@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])c1ccsc1 ZINC000436318064 944196877 /nfs/dbraw/zinc/19/68/77/944196877.db2.gz NXYODOSEVQYNEY-NSHDSACASA-N 1 0 360.361 3.785 20 5 FHBDRO Cc1noc2ncc(C[NH2+]Cc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc12 ZINC000894581202 944286542 /nfs/dbraw/zinc/28/65/42/944286542.db2.gz YITGJHGLUGJBTP-UHFFFAOYSA-N 1 0 366.299 3.748 20 5 FHBDRO C[C@H](c1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1)c1cccc([N+](=O)[O-])c1 ZINC000517432377 944290522 /nfs/dbraw/zinc/29/05/22/944290522.db2.gz OWSGLXMBBHQQIK-LBPRGKRZSA-N 1 0 370.384 3.997 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H](CO)Cc3ccc(F)cc3)o2)c1 ZINC000500246932 944327538 /nfs/dbraw/zinc/32/75/38/944327538.db2.gz ZNDSXFNPNIPIQV-KRWDZBQOSA-N 1 0 370.380 3.687 20 5 FHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCCCCOc3ccccc3)C2)nc1 ZINC000438099680 944340402 /nfs/dbraw/zinc/34/04/02/944340402.db2.gz XIJZTHDGWFBGHM-QGZVFWFLSA-N 1 0 370.453 3.725 20 5 FHBDRO C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)N(C)c1ccccc1 ZINC000517536093 944381846 /nfs/dbraw/zinc/38/18/46/944381846.db2.gz RMDTUFWRGMYMOW-CYBMUJFWSA-N 1 0 365.380 3.811 20 5 FHBDRO O=[N+]([O-])c1c(NCC[N@@H+]2CCc3sccc3C2)ccc2ncccc21 ZINC000053580049 944395707 /nfs/dbraw/zinc/39/57/07/944395707.db2.gz VGXRNCSOWGKGLP-UHFFFAOYSA-N 1 0 354.435 3.675 20 5 FHBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc(OC(F)(F)F)c3)CC2)n1 ZINC000425967487 944447076 /nfs/dbraw/zinc/44/70/76/944447076.db2.gz ODJDQEUDCFWKDS-UHFFFAOYSA-N 1 0 370.331 3.527 20 5 FHBDRO C[C@@]1(c2ccccc2)CC[C@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000425971729 944459186 /nfs/dbraw/zinc/45/91/86/944459186.db2.gz RVDCYVBKNXQGMZ-AZUAARDMSA-N 1 0 354.454 3.939 20 5 FHBDRO Cc1cc(NC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000473789234 944468782 /nfs/dbraw/zinc/46/87/82/944468782.db2.gz RTDBPIHMKOOCLY-QAPCUYQASA-N 1 0 368.437 3.860 20 5 FHBDRO CCS(=O)(=O)c1cccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000467405756 944493653 /nfs/dbraw/zinc/49/36/53/944493653.db2.gz HGKQCFMZDPQBKP-IBGZPJMESA-N 1 0 374.462 3.556 20 5 FHBDRO Cc1sc(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000110491147 944509396 /nfs/dbraw/zinc/50/93/96/944509396.db2.gz ANOVEAJELSVBQB-UHFFFAOYSA-N 1 0 363.439 3.548 20 5 FHBDRO C[C@@H](c1ccccc1F)N1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000550251863 944566461 /nfs/dbraw/zinc/56/64/61/944566461.db2.gz QHXDYYUHOOZMQD-IFXJQAMLSA-N 1 0 371.412 3.576 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505874720 944573123 /nfs/dbraw/zinc/57/31/23/944573123.db2.gz MWIGICGPZAMVIN-MRXNPFEDSA-N 1 0 356.422 3.894 20 5 FHBDRO O=c1[nH]ccc2c1C[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CC2 ZINC000426372273 944582286 /nfs/dbraw/zinc/58/22/86/944582286.db2.gz NWZRMVZJNVGMCE-UHFFFAOYSA-N 1 0 351.362 3.514 20 5 FHBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCc2ccccc21 ZINC000015291595 944593075 /nfs/dbraw/zinc/59/30/75/944593075.db2.gz YUWUVQMTORNETA-LJQANCHMSA-N 1 0 354.406 3.971 20 5 FHBDRO Cc1c(Br)c(NC2CCC(C[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000541577422 944618356 /nfs/dbraw/zinc/61/83/56/944618356.db2.gz AGXZWQYEOSXFEY-UHFFFAOYSA-N 1 0 371.279 3.593 20 5 FHBDRO [NH3+]CCc1cn(-c2nc(-c3ccccc3)ccc2[N+](=O)[O-])c2ccc(O)cc12 ZINC001167983638 944656880 /nfs/dbraw/zinc/65/68/80/944656880.db2.gz QWZHWFLODQQECR-UHFFFAOYSA-N 1 0 374.400 3.808 20 5 FHBDRO C[C@H]1CN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000505887165 944696815 /nfs/dbraw/zinc/69/68/15/944696815.db2.gz TXADDOIXYJTRMO-ZDUSSCGKSA-N 1 0 361.829 3.834 20 5 FHBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000518761159 944709849 /nfs/dbraw/zinc/70/98/49/944709849.db2.gz WWHQUNMCQLOJSH-GASCZTMLSA-N 1 0 373.453 3.829 20 5 FHBDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000506947113 944787811 /nfs/dbraw/zinc/78/78/11/944787811.db2.gz SKDZJATXMVPWPX-OYYNGEPBSA-N 1 0 373.840 3.871 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000506314989 944902205 /nfs/dbraw/zinc/90/22/05/944902205.db2.gz NYTSKBBARNXRLZ-UHFFFAOYSA-N 1 0 365.499 3.701 20 5 FHBDRO Cc1ccccc1[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000507165301 944997884 /nfs/dbraw/zinc/99/78/84/944997884.db2.gz PASMAHIMJWNCAT-INIZCTEOSA-N 1 0 353.422 3.721 20 5 FHBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000437088315 945007092 /nfs/dbraw/zinc/00/70/92/945007092.db2.gz CFLWKTFTQRWQDG-BXUZGUMPSA-N 1 0 361.364 3.879 20 5 FHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1Cc2ccccc2N(C)C1 ZINC000437107073 945028698 /nfs/dbraw/zinc/02/86/98/945028698.db2.gz JWSGFQYIGIEQKG-IRXDYDNUSA-N 1 0 353.466 3.814 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000473069498 945035018 /nfs/dbraw/zinc/03/50/18/945035018.db2.gz CTFXZIBMMNHUOT-DAXSKMNVSA-N 1 0 370.424 3.817 20 5 FHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1c[nH]nc1-c1ccccc1F ZINC000516602953 945046983 /nfs/dbraw/zinc/04/69/83/945046983.db2.gz HFAMKKSRYQQRAF-UHFFFAOYSA-N 1 0 354.385 3.799 20 5 FHBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000511762753 945051895 /nfs/dbraw/zinc/05/18/95/945051895.db2.gz OITFDMSKMRHOTP-AYBZRNKSSA-N 1 0 356.397 3.738 20 5 FHBDRO CCOC(=O)[C@](C)(C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000468860837 945413208 /nfs/dbraw/zinc/41/32/08/945413208.db2.gz FOLKBMYDNYCPJT-FOIQADDNSA-N 1 0 356.422 3.766 20 5 FHBDRO Cc1c(NC(=O)CC[N@@H+]2CCCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000106887499 945425632 /nfs/dbraw/zinc/42/56/32/945425632.db2.gz OSNQIKYYHCELGT-UHFFFAOYSA-N 1 0 353.422 3.680 20 5 FHBDRO CC[C@@H](C)[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000507680331 945444789 /nfs/dbraw/zinc/44/47/89/945444789.db2.gz ZMIVZKQCRNQVFI-OAHLLOKOSA-N 1 0 371.437 3.843 20 5 FHBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000018177347 945445367 /nfs/dbraw/zinc/44/53/67/945445367.db2.gz HNRPFYWEDVMOQW-UHFFFAOYSA-N 1 0 356.426 3.758 20 5 FHBDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000507697629 945461424 /nfs/dbraw/zinc/46/14/24/945461424.db2.gz KMDIKMHVPJBVEZ-HIFRSBDPSA-N 1 0 360.385 3.729 20 5 FHBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000280940618 945470336 /nfs/dbraw/zinc/47/03/36/945470336.db2.gz JFROTLXRAWQYGX-AWEZNQCLSA-N 1 0 365.861 3.775 20 5 FHBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCCCC1 ZINC000438052502 945487631 /nfs/dbraw/zinc/48/76/31/945487631.db2.gz TZQQCBCEHYNDRU-UHFFFAOYSA-N 1 0 373.375 3.608 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000519621104 945592964 /nfs/dbraw/zinc/59/29/64/945592964.db2.gz CUOGMLWQRRDVHK-AWEZNQCLSA-N 1 0 351.406 3.606 20 5 FHBDRO Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549524981 945605047 /nfs/dbraw/zinc/60/50/47/945605047.db2.gz OYFYHCVGWNQEHN-OCCSQVGLSA-N 1 0 357.376 3.843 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)o1 ZINC000121220501 945720908 /nfs/dbraw/zinc/72/09/08/945720908.db2.gz PFTPICUULJBUFC-AWEZNQCLSA-N 1 0 352.394 3.958 20 5 FHBDRO C[C@@H]([NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1)c1ccccc1[N+](=O)[O-] ZINC000550075183 945725006 /nfs/dbraw/zinc/72/50/06/945725006.db2.gz QUURQRUUIWIOPO-CHWSQXEVSA-N 1 0 359.392 3.908 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000181758173 945742668 /nfs/dbraw/zinc/74/26/68/945742668.db2.gz IWPOYCCBGUQDJI-LBPRGKRZSA-N 1 0 369.377 3.639 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCN(c3nccs3)CC1)CCC2 ZINC000281585605 945779273 /nfs/dbraw/zinc/77/92/73/945779273.db2.gz LINBPRWVHMYQQO-QGZVFWFLSA-N 1 0 358.467 3.687 20 5 FHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3CCC4(CCCCCC4)O3)C2)nc1 ZINC001167778383 946096826 /nfs/dbraw/zinc/09/68/26/946096826.db2.gz FLCIWFUAHVYBEA-AEFFLSMTSA-N 1 0 374.485 3.748 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000248742370 946096769 /nfs/dbraw/zinc/09/67/69/946096769.db2.gz DVBNHKCOUAIFHK-SJORKVTESA-N 1 0 359.470 3.630 20 5 FHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000109006189 946120608 /nfs/dbraw/zinc/12/06/08/946120608.db2.gz GLBRPQQPCVYDDW-OAHLLOKOSA-N 1 0 359.470 3.817 20 5 FHBDRO C/C(=C/C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000785283388 946226387 /nfs/dbraw/zinc/22/63/87/946226387.db2.gz RUABKALSFNFVJK-DXFLKOCDSA-N 1 0 359.470 3.626 20 5 FHBDRO CC[NH+](CC)Cc1ccccc1CNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000018945607 946320918 /nfs/dbraw/zinc/32/09/18/946320918.db2.gz RZAPPQKPTUXJPT-UHFFFAOYSA-N 1 0 372.494 3.923 20 5 FHBDRO C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000186478860 946371014 /nfs/dbraw/zinc/37/10/14/946371014.db2.gz GLSLUZQNCUZFNL-SJKOYZFVSA-N 1 0 361.829 3.669 20 5 FHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c2c(c1)COCO2 ZINC000121368220 946427476 /nfs/dbraw/zinc/42/74/76/946427476.db2.gz GOKYTSAARBBCQU-HNNXBMFYSA-N 1 0 372.396 3.665 20 5 FHBDRO O=[N+]([O-])c1c[nH]c(-c2nc(-c3ccccc3C[NH+]3CCCCC3)no2)c1 ZINC000545699157 946431602 /nfs/dbraw/zinc/43/16/02/946431602.db2.gz WGQMNTYDEHSRIN-UHFFFAOYSA-N 1 0 353.382 3.626 20 5 FHBDRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000048050822 946485219 /nfs/dbraw/zinc/48/52/19/946485219.db2.gz OLCYCNPNTQZKGE-UHFFFAOYSA-N 1 0 374.416 3.638 20 5 FHBDRO COc1ccc(OCC[N@H+](CCc2ccc(F)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000441383348 946506561 /nfs/dbraw/zinc/50/65/61/946506561.db2.gz OTPVLKOMIWDHHY-UHFFFAOYSA-N 1 0 374.412 3.828 20 5 FHBDRO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000088287307 946546823 /nfs/dbraw/zinc/54/68/23/946546823.db2.gz XYOLELNHOPTEDZ-UHFFFAOYSA-N 1 0 353.422 3.762 20 5 FHBDRO COc1ccc(OCC[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000441395904 946551656 /nfs/dbraw/zinc/55/16/56/946551656.db2.gz NYMUMGAJKCORBX-ZBFHGGJFSA-N 1 0 374.412 3.999 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000475545826 946629599 /nfs/dbraw/zinc/62/95/99/946629599.db2.gz CBBPGCBKPDGSGV-MRXNPFEDSA-N 1 0 362.455 3.698 20 5 FHBDRO CCC(CC)[C@@H](CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)[NH+](C)C ZINC000475554806 946637346 /nfs/dbraw/zinc/63/73/46/946637346.db2.gz NNONYHVVCJRLRT-QGZVFWFLSA-N 1 0 350.463 3.700 20 5 FHBDRO COc1cc(C[NH2+]C[C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000475569917 946689446 /nfs/dbraw/zinc/68/94/46/946689446.db2.gz YHAVCDRZNMAZBQ-NEPJUHHUSA-N 1 0 358.385 3.773 20 5 FHBDRO O=C(NCCC[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475197969 946709476 /nfs/dbraw/zinc/70/94/76/946709476.db2.gz NYEIPWUSXHYFFN-UHFFFAOYSA-N 1 0 374.363 3.611 20 5 FHBDRO CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC001168073167 946710936 /nfs/dbraw/zinc/71/09/36/946710936.db2.gz IDMUPZAKZSLBSU-INIZCTEOSA-N 1 0 371.437 3.713 20 5 FHBDRO CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475315904 946878668 /nfs/dbraw/zinc/87/86/68/946878668.db2.gz YJOOJAJKYQHXFC-HNNXBMFYSA-N 1 0 373.840 3.595 20 5 FHBDRO CCCC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C)on1 ZINC000112532141 946908854 /nfs/dbraw/zinc/90/88/54/946908854.db2.gz NYVGBELPOFULNR-XJKSGUPXSA-N 1 0 360.414 3.739 20 5 FHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000408194812 946914150 /nfs/dbraw/zinc/91/41/50/946914150.db2.gz ZHSFQARYFOWOIY-IOASZLSFSA-N 1 0 365.861 3.726 20 5 FHBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000843771474 946927632 /nfs/dbraw/zinc/92/76/32/946927632.db2.gz KZPFXRDAQZCJBB-GOEBONIOSA-N 1 0 371.412 3.608 20 5 FHBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000613860848 946993738 /nfs/dbraw/zinc/99/37/38/946993738.db2.gz IHSHGUAJUHDQEN-LLVKDONJSA-N 1 0 374.363 3.610 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](Cc4ccccc4)C3)nc2c1 ZINC000444602550 947029638 /nfs/dbraw/zinc/02/96/38/947029638.db2.gz KJASWTOZKNASNC-INIZCTEOSA-N 1 0 350.422 3.926 20 5 FHBDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444674865 947099084 /nfs/dbraw/zinc/09/90/84/947099084.db2.gz LYLWCWILYDLRIS-VOJFVSQTSA-N 1 0 374.828 3.990 20 5 FHBDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000121491438 947141268 /nfs/dbraw/zinc/14/12/68/947141268.db2.gz QPXBQDMTZUEKOS-UKRRQHHQSA-N 1 0 372.396 3.978 20 5 FHBDRO CCCC[NH+]1CCC(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000151407023 947157141 /nfs/dbraw/zinc/15/71/41/947157141.db2.gz PTDSCKBWZLVOPR-UHFFFAOYSA-N 1 0 374.485 3.533 20 5 FHBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(OCc2ccccc2)c1 ZINC000444718678 947159327 /nfs/dbraw/zinc/15/93/27/947159327.db2.gz WIRJMPPPSBSYCF-INIZCTEOSA-N 1 0 366.421 3.721 20 5 FHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000444779240 947191488 /nfs/dbraw/zinc/19/14/88/947191488.db2.gz BEHOHQHFKKQVQC-KRWDZBQOSA-N 1 0 354.450 3.973 20 5 FHBDRO Cc1ccc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000072810798 947350120 /nfs/dbraw/zinc/35/01/20/947350120.db2.gz OFNSBWBQFYUOET-IRXDYDNUSA-N 1 0 359.470 3.630 20 5 FHBDRO CSc1ccccc1[C@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000440613024 947360280 /nfs/dbraw/zinc/36/02/80/947360280.db2.gz DBUMBBCMMXVZDB-ZDUSSCGKSA-N 1 0 359.451 3.630 20 5 FHBDRO CC(C)CCSc1ccc(C(=O)NCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000523623603 947452768 /nfs/dbraw/zinc/45/27/68/947452768.db2.gz PCFLXSDKEMMTKQ-UHFFFAOYSA-N 1 0 367.515 3.803 20 5 FHBDRO Cn1cnc([N+](=O)[O-])c1NCC1([N@H+](C)Cc2ccccc2)CCCCC1 ZINC000714228321 947454683 /nfs/dbraw/zinc/45/46/83/947454683.db2.gz KGROXJDGVHJGTO-UHFFFAOYSA-N 1 0 357.458 3.575 20 5 FHBDRO CCS[C@@H]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000072837530 947568904 /nfs/dbraw/zinc/56/89/04/947568904.db2.gz ATLOIUSFRUUKAD-GOEBONIOSA-N 1 0 365.499 3.838 20 5 FHBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000536391153 947957438 /nfs/dbraw/zinc/95/74/38/947957438.db2.gz OHLXGTATJIYGHX-QGZVFWFLSA-N 1 0 366.465 3.825 20 5 FHBDRO Cn1cc(C[NH2+]CC2CCC(F)(F)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000500443589 948002541 /nfs/dbraw/zinc/00/25/41/948002541.db2.gz ZWVMMEGFCVESOX-UHFFFAOYSA-N 1 0 364.396 3.910 20 5 FHBDRO Cn1cc(C[NH2+]Cc2cc(F)ccc2F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105496149 948042833 /nfs/dbraw/zinc/04/28/33/948042833.db2.gz MGIJZTDCZQAXSX-UHFFFAOYSA-N 1 0 358.348 3.563 20 5 FHBDRO C/C(=C/C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000785359645 948077439 /nfs/dbraw/zinc/07/74/39/948077439.db2.gz KZSHCYFSLQPPMZ-LUQQZNFBSA-N 1 0 371.412 3.556 20 5 FHBDRO C[NH+](C)CCOc1ccccc1CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000432341409 948165430 /nfs/dbraw/zinc/16/54/30/948165430.db2.gz XAWZPFRRRXMDIP-UHFFFAOYSA-N 1 0 366.421 3.696 20 5 FHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432348784 948186459 /nfs/dbraw/zinc/18/64/59/948186459.db2.gz SZIMECPLVGWZRF-OWCLPIDISA-N 1 0 354.454 3.985 20 5 FHBDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000432361280 948214927 /nfs/dbraw/zinc/21/49/27/948214927.db2.gz CQHNIMVWRDOLNM-CRAIPNDOSA-N 1 0 355.438 3.877 20 5 FHBDRO C[NH+](C)CCCOc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000107195726 948421894 /nfs/dbraw/zinc/42/18/94/948421894.db2.gz BBWKUJPHSFZGSI-AWNIVKPZSA-N 1 0 369.421 3.577 20 5 FHBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000120403296 948493168 /nfs/dbraw/zinc/49/31/68/948493168.db2.gz KOVURFDMBLZMFX-GASCZTMLSA-N 1 0 372.469 3.564 20 5 FHBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)cc1[N+](=O)[O-] ZINC000182088632 948632888 /nfs/dbraw/zinc/63/28/88/948632888.db2.gz SUMLCFRDLJJIJS-MRXNPFEDSA-N 1 0 356.470 3.906 20 5 FHBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCOCC3)CCCCC2)c2ccncc21 ZINC000068838404 205244718 /nfs/dbraw/zinc/24/47/18/205244718.db2.gz UYTOIUGZPTYRPR-UHFFFAOYSA-N 1 0 370.453 3.590 20 5 FHBDRO COc1ccc([C@@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000108081888 206028328 /nfs/dbraw/zinc/02/83/28/206028328.db2.gz CQSMCKALSXHMSD-IBGZPJMESA-N 1 0 356.422 3.992 20 5 FHBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000481375838 567863031 /nfs/dbraw/zinc/86/30/31/567863031.db2.gz QUMGOQBMUGOXPB-LRDDRELGSA-N 1 0 374.466 3.777 20 5 FHBDRO CCCOc1ncccc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000481412895 567905659 /nfs/dbraw/zinc/90/56/59/567905659.db2.gz GYJAVDRKPNLLAT-SFHVURJKSA-N 1 0 355.438 3.890 20 5 FHBDRO Cc1noc(C)c1C[C@@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602553924 567991016 /nfs/dbraw/zinc/99/10/16/567991016.db2.gz XGRACXFNQMUBAS-SSDOTTSWSA-N 1 0 374.260 3.744 20 5 FHBDRO CC(C)(CCc1noc([C@H]2CCCN2Cc2ccc(F)cc2)n1)[N+](=O)[O-] ZINC000291067380 568009268 /nfs/dbraw/zinc/00/92/68/568009268.db2.gz KYRGITMCAGRDTG-OAHLLOKOSA-N 1 0 362.405 3.534 20 5 FHBDRO COCCOCc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000291066527 568049077 /nfs/dbraw/zinc/04/90/77/568049077.db2.gz AQSHLSPOJHRFRB-INIZCTEOSA-N 1 0 358.438 3.917 20 5 FHBDRO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1=O ZINC000568510206 568051754 /nfs/dbraw/zinc/05/17/54/568051754.db2.gz RAKKWJKVDOTJKV-MRXNPFEDSA-N 1 0 373.478 3.812 20 5 FHBDRO Cc1c([C@H](C)[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000481570062 568057992 /nfs/dbraw/zinc/05/79/92/568057992.db2.gz DLFNDVWWELJSBS-MAUKXSAKSA-N 1 0 355.438 3.773 20 5 FHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCNC2=O)cc1 ZINC000291237195 568088188 /nfs/dbraw/zinc/08/81/88/568088188.db2.gz QJEXMIAUEYFEKI-CABCVRRESA-N 1 0 368.437 3.926 20 5 FHBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(c2ccccc2)CCCC1 ZINC000481826825 568136358 /nfs/dbraw/zinc/13/63/58/568136358.db2.gz VZFUGTJANYECDN-OAHLLOKOSA-N 1 0 367.449 3.684 20 5 FHBDRO C[C@H]1CCCN(Cc2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000024887459 568216985 /nfs/dbraw/zinc/21/69/85/568216985.db2.gz BQPQMDNDHCMLIG-LBPRGKRZSA-N 1 0 360.439 3.536 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccn(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000482033042 568232980 /nfs/dbraw/zinc/23/29/80/568232980.db2.gz NEQWLVURLICECO-INIZCTEOSA-N 1 0 350.422 3.982 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000568921888 568252494 /nfs/dbraw/zinc/25/24/94/568252494.db2.gz ORSRYEYAVSFUSW-HOCLYGCPSA-N 1 0 374.485 3.932 20 5 FHBDRO CCCN(CC[NH+]1CCCCC1)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000482135319 568277065 /nfs/dbraw/zinc/27/70/65/568277065.db2.gz ZOOFRAHTJDPVBV-UHFFFAOYSA-N 1 0 362.474 3.941 20 5 FHBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000569155862 568300126 /nfs/dbraw/zinc/30/01/26/568300126.db2.gz MITYEKJPTBALHD-KSSFIOAISA-N 1 0 372.494 3.777 20 5 FHBDRO C[C@H]([NH2+][C@@H]1CCC1(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000569255685 568321026 /nfs/dbraw/zinc/32/10/26/568321026.db2.gz CSIPUMKSOWQWMD-XHDPSFHLSA-N 1 0 374.466 3.824 20 5 FHBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000569325018 568383365 /nfs/dbraw/zinc/38/33/65/568383365.db2.gz IZFFTHVCRVMDLR-UHFFFAOYSA-N 1 0 353.850 3.585 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)c1cccs1 ZINC000569626038 568410842 /nfs/dbraw/zinc/41/08/42/568410842.db2.gz ZTODPAOFPBUWRE-UHFFFAOYSA-N 1 0 363.439 3.518 20 5 FHBDRO [NH3+][C@H](CCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000570048087 568443322 /nfs/dbraw/zinc/44/33/22/568443322.db2.gz GXEJEHUWIZDACX-LJQANCHMSA-N 1 0 353.422 3.566 20 5 FHBDRO [NH3+][C@@H](CCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000570048086 568443345 /nfs/dbraw/zinc/44/33/45/568443345.db2.gz GXEJEHUWIZDACX-IBGZPJMESA-N 1 0 353.422 3.566 20 5 FHBDRO COc1ccc(-c2ccc(C[N@H+](C)[C@H](CO)CC(C)C)o2)c([N+](=O)[O-])c1 ZINC000570008897 568449441 /nfs/dbraw/zinc/44/94/41/568449441.db2.gz JXSMKXKNJBXBGU-AWEZNQCLSA-N 1 0 362.426 3.702 20 5 FHBDRO Cc1cc(N2CC[C@H](C[NH+]3CCCC3)C2)c(Br)cc1[N+](=O)[O-] ZINC000570109611 568451473 /nfs/dbraw/zinc/45/14/73/568451473.db2.gz KSHREMBTKUFAIT-CYBMUJFWSA-N 1 0 368.275 3.588 20 5 FHBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000570248025 568466250 /nfs/dbraw/zinc/46/62/50/568466250.db2.gz HOEHNFIBCAIBQF-OOXMNIKJSA-N 1 0 367.453 3.873 20 5 FHBDRO COC[C@@]1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)OCCc2ccccc21 ZINC000570889115 568620557 /nfs/dbraw/zinc/62/05/57/568620557.db2.gz JROOOTLGDWQAAN-HRAATJIYSA-N 1 0 370.449 3.668 20 5 FHBDRO CCC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000821022387 607057572 /nfs/dbraw/zinc/05/75/72/607057572.db2.gz ROZWSWNYIHLTPI-QGZVFWFLSA-N 1 0 370.388 3.545 20 5 FHBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001164420672 718891964 /nfs/dbraw/zinc/89/19/64/718891964.db2.gz VMHFYDQOIUYVNE-CQSZACIVSA-N 1 0 374.819 3.547 20 5 FHBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164618555 719062986 /nfs/dbraw/zinc/06/29/86/719062986.db2.gz BBIANLPRMBMXRS-YJBOKZPZSA-N 1 0 372.856 3.744 20 5 FHBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164618552 719063016 /nfs/dbraw/zinc/06/30/16/719063016.db2.gz BBIANLPRMBMXRS-CRAIPNDOSA-N 1 0 372.856 3.744 20 5 FHBDRO O=[N+]([O-])c1cnc(N2CCCC[C@H]2CC[NH+]2CCCC2)c2ccccc21 ZINC001165046112 721969048 /nfs/dbraw/zinc/96/90/48/721969048.db2.gz BKRYQGUPDJHTHY-INIZCTEOSA-N 1 0 354.454 3.988 20 5 FHBDRO CC(C)Oc1nc(N2CCCC[C@H]2CC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001165049129 721976660 /nfs/dbraw/zinc/97/66/60/721976660.db2.gz NRLHNWKVNFFKNO-INIZCTEOSA-N 1 0 362.474 3.622 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162572351 937176102 /nfs/dbraw/zinc/17/61/02/937176102.db2.gz YPGCRGCXPXHDQU-UHFFFAOYSA-N 1 0 363.458 3.511 20 5 FHBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)[C@H]1CCCO1 ZINC000535960042 937231563 /nfs/dbraw/zinc/23/15/63/937231563.db2.gz OHPXZIDSBMHTSW-QFBILLFUSA-N 1 0 360.410 3.911 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1CN(C)Cc1cc(OC)c(OC)cc1C ZINC000430230293 928333878 /nfs/dbraw/zinc/33/38/78/928333878.db2.gz XTTHADPXQBMAEM-UHFFFAOYSA-N 1 0 360.410 3.561 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000430235167 928375739 /nfs/dbraw/zinc/37/57/39/928375739.db2.gz XUZSLEPXGVCRRQ-SJLPKXTDSA-N 1 0 364.348 3.501 20 5 FHBDRO C[NH2+]Cc1c(C)nn(-c2ccc3ccc4ccc(Cl)nc4c3n2)c1C ZINC001167098603 929322139 /nfs/dbraw/zinc/32/21/39/929322139.db2.gz BFQHYYGAUCNYND-UHFFFAOYSA-N 1 0 351.841 3.958 20 5 FHBDRO Cc1ccc(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000471450700 929686808 /nfs/dbraw/zinc/68/68/08/929686808.db2.gz IAAUUKSIYIFLCJ-MRXNPFEDSA-N 1 0 355.438 3.544 20 5 FHBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000610296332 929714633 /nfs/dbraw/zinc/71/46/33/929714633.db2.gz AJCIOWRZARMCHN-QGZVFWFLSA-N 1 0 373.840 3.595 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000548010744 929937587 /nfs/dbraw/zinc/93/75/87/929937587.db2.gz ZLMXMRYKPIIJSA-RDJZCZTQSA-N 1 0 354.454 3.987 20 5 FHBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000175845917 929953184 /nfs/dbraw/zinc/95/31/84/929953184.db2.gz ZFCUFSLJBLSGQG-GOEBONIOSA-N 1 0 350.415 3.884 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275752378 930142019 /nfs/dbraw/zinc/14/20/19/930142019.db2.gz DSGBLDOLAGNYCW-UHFFFAOYSA-N 1 0 361.829 3.913 20 5 FHBDRO COc1cc(C[NH2+]C[C@H](C)C(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000610089471 930197214 /nfs/dbraw/zinc/19/72/14/930197214.db2.gz XJFBJQBFFUZFOK-NSHDSACASA-N 1 0 364.364 3.926 20 5 FHBDRO COc1ccc(OCC[NH2+]C2(c3ccc(F)cc3)CCC2)c([N+](=O)[O-])c1 ZINC000610390332 930298567 /nfs/dbraw/zinc/29/85/67/930298567.db2.gz ADEIYNWWROUMSL-UHFFFAOYSA-N 1 0 360.385 3.790 20 5 FHBDRO CSc1ccc([C@@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000580177281 930330504 /nfs/dbraw/zinc/33/05/04/930330504.db2.gz JDCUPUZWWZGSEU-GOSISDBHSA-N 1 0 373.478 3.658 20 5 FHBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(C2CCCC2)CC1 ZINC000610393472 930334739 /nfs/dbraw/zinc/33/47/39/930334739.db2.gz UNYPNAPVIIZYEK-UHFFFAOYSA-N 1 0 373.453 3.795 20 5 FHBDRO CC(C)(C)OC(=O)N1CC[C@H](N(Cc2csc([N+](=O)[O-])c2)C2CC2)C1 ZINC000749479331 930424138 /nfs/dbraw/zinc/42/41/38/930424138.db2.gz BDRLPLDNFZQXAP-AWEZNQCLSA-N 1 0 367.471 3.630 20 5 FHBDRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)N2CCOCC2)o1 ZINC000118952692 930458779 /nfs/dbraw/zinc/45/87/79/930458779.db2.gz IVCNWRFJXARRTH-QFBILLFUSA-N 1 0 373.453 3.529 20 5 FHBDRO O=C(CCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])N1CCc2ccccc21 ZINC000255362417 930476707 /nfs/dbraw/zinc/47/67/07/930476707.db2.gz DIGYCTURHXDKDD-UITAMQMPSA-N 1 0 365.433 3.567 20 5 FHBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCc1ccc(Cl)cc1)CC1CC1 ZINC001167378037 930483366 /nfs/dbraw/zinc/48/33/66/930483366.db2.gz ZGOGDSYNSAJBBC-UHFFFAOYSA-N 1 0 362.861 3.708 20 5 FHBDRO COc1ccccc1[C@@H]1CC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121218929 930698855 /nfs/dbraw/zinc/69/88/55/930698855.db2.gz UVQUEKJFFJMTEV-OAHLLOKOSA-N 1 0 366.421 3.709 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000537175766 930857326 /nfs/dbraw/zinc/85/73/26/930857326.db2.gz ZFVLINJBNMFGGQ-AEWXESQOSA-N 1 0 361.486 3.883 20 5 FHBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001167424389 930941072 /nfs/dbraw/zinc/94/10/72/930941072.db2.gz HZOOFHALJXFVFX-GJZGRUSLSA-N 1 0 363.458 3.689 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3COc4ccccc43)cs2)c1 ZINC000579757861 930949859 /nfs/dbraw/zinc/94/98/59/930949859.db2.gz LBCMNDOZLARELS-CQSZACIVSA-N 1 0 367.430 3.984 20 5 FHBDRO Cc1cccc2c1OC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000579779020 931019214 /nfs/dbraw/zinc/01/92/14/931019214.db2.gz WJSAEBDZMJTOOL-AWEZNQCLSA-N 1 0 364.348 3.598 20 5 FHBDRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000561161823 931026630 /nfs/dbraw/zinc/02/66/30/931026630.db2.gz KLUPJHRDWDFRGY-UHFFFAOYSA-N 1 0 365.433 3.784 20 5 FHBDRO C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312973115 931074856 /nfs/dbraw/zinc/07/48/56/931074856.db2.gz KQTWZENKQROESQ-HOCLYGCPSA-N 1 0 365.437 3.794 20 5 FHBDRO Cc1n[nH]cc1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000579861293 931153782 /nfs/dbraw/zinc/15/37/82/931153782.db2.gz LFUOHBZWQVCILS-UHFFFAOYSA-N 1 0 356.357 3.848 20 5 FHBDRO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000177872277 931397120 /nfs/dbraw/zinc/39/71/20/931397120.db2.gz UCRPHASUCHLTKQ-JSGCOSHPSA-N 1 0 359.451 3.643 20 5 FHBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000156818486 931559784 /nfs/dbraw/zinc/55/97/84/931559784.db2.gz QATNLKYZMOHFGV-UHFFFAOYSA-N 1 0 368.437 3.550 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3ccnc3)cc2)cc1[N+](=O)[O-] ZINC000177934270 931633729 /nfs/dbraw/zinc/63/37/29/931633729.db2.gz OBLJUWDEKKJTNU-INIZCTEOSA-N 1 0 350.422 3.999 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000156087116 931747513 /nfs/dbraw/zinc/74/75/13/931747513.db2.gz OIZSBTQJIONVIE-UHFFFAOYSA-N 1 0 362.455 3.560 20 5 FHBDRO Cc1c(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000023014660 931792955 /nfs/dbraw/zinc/79/29/55/931792955.db2.gz QCJJUIYFIXTJIB-UHFFFAOYSA-N 1 0 367.449 3.545 20 5 FHBDRO COc1ccc(C[C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000581451977 932098248 /nfs/dbraw/zinc/09/82/48/932098248.db2.gz BKGZYNADYWRZOB-CQSZACIVSA-N 1 0 353.422 3.848 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@H](C[NH+]4CCCCCC4)C3)nc2c1 ZINC000548180274 932140586 /nfs/dbraw/zinc/14/05/86/932140586.db2.gz DFSJHMFLTRFBCF-MRXNPFEDSA-N 1 0 371.485 3.559 20 5 FHBDRO COc1ccccc1C[C@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000093102343 932609200 /nfs/dbraw/zinc/60/92/00/932609200.db2.gz BGPGIJVDSTWIRI-AWEZNQCLSA-N 1 0 374.437 3.684 20 5 FHBDRO COc1cc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c([N+](=O)[O-])cc1F ZINC000302001473 932652149 /nfs/dbraw/zinc/65/21/49/932652149.db2.gz WMYQCJBQMFYXDX-HNNXBMFYSA-N 1 0 365.449 3.691 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000247372805 932800347 /nfs/dbraw/zinc/80/03/47/932800347.db2.gz KYEKPQLJRBBRKE-KBXCAEBGSA-N 1 0 373.478 3.778 20 5 FHBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000471803361 932974487 /nfs/dbraw/zinc/97/44/87/932974487.db2.gz GUHWYHCHUYCQOV-TZMCWYRMSA-N 1 0 362.813 3.996 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000187570139 933004830 /nfs/dbraw/zinc/00/48/30/933004830.db2.gz DYZUTSOPZLZWQV-UHFFFAOYSA-N 1 0 369.343 3.572 20 5 FHBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000588441940 933073934 /nfs/dbraw/zinc/07/39/34/933073934.db2.gz OEFBQTSTGCXREQ-XRMNKTDYSA-N 1 0 371.481 3.767 20 5 FHBDRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000156513257 933087709 /nfs/dbraw/zinc/08/77/09/933087709.db2.gz IQTLGZPSZPEVBU-OAHLLOKOSA-N 1 0 355.438 3.880 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000510517824 933182787 /nfs/dbraw/zinc/18/27/87/933182787.db2.gz LRHWCJNYPSEKKR-SOFGYWHQSA-N 1 0 360.417 3.852 20 5 FHBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-])[NH+](C)C ZINC000510528928 933189182 /nfs/dbraw/zinc/18/91/82/933189182.db2.gz ZJAVCHPGRPXLEE-BEFAXECRSA-N 1 0 355.438 3.633 20 5 FHBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-])[NH+](C)C ZINC000510528930 933189252 /nfs/dbraw/zinc/18/92/52/933189252.db2.gz ZJAVCHPGRPXLEE-HNAYVOBHSA-N 1 0 355.438 3.633 20 5 FHBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1C)[NH+](C)C ZINC000510545932 933208750 /nfs/dbraw/zinc/20/87/50/933208750.db2.gz MAEROZQQESJYLX-DNVCBOLYSA-N 1 0 355.438 3.633 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)C1CC1 ZINC000178365261 933575812 /nfs/dbraw/zinc/57/58/12/933575812.db2.gz ZUMPUNWZZKRBSR-INIZCTEOSA-N 1 0 371.403 3.532 20 5 FHBDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)o1 ZINC000610653740 933649262 /nfs/dbraw/zinc/64/92/62/933649262.db2.gz ZUEBTPIYWSHJQW-UHFFFAOYSA-N 1 0 368.393 3.830 20 5 FHBDRO CC(C)c1ccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000187655298 933973590 /nfs/dbraw/zinc/97/35/90/933973590.db2.gz ICZXKUVXYYPZTG-KRWDZBQOSA-N 1 0 359.470 3.809 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)C[C@@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000610741237 934047265 /nfs/dbraw/zinc/04/72/65/934047265.db2.gz ZNOWMBGPSGALCT-KBPBESRZSA-N 1 0 360.410 3.768 20 5 FHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458212033 934381295 /nfs/dbraw/zinc/38/12/95/934381295.db2.gz LPEWTRXDBUBDBG-AWEZNQCLSA-N 1 0 365.499 3.557 20 5 FHBDRO COc1cc(C[N@H+](C)[C@H](C)C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000158064215 934418584 /nfs/dbraw/zinc/41/85/84/934418584.db2.gz ZVYCTSKXAACVEX-SNVBAGLBSA-N 1 0 362.348 3.775 20 5 FHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC(C)(C)c1ccccc1 ZINC000610799044 934442851 /nfs/dbraw/zinc/44/28/51/934442851.db2.gz XLRXIWBERZFKGO-HNNXBMFYSA-N 1 0 355.438 3.879 20 5 FHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)c1ccccc1 ZINC000610798988 934443799 /nfs/dbraw/zinc/44/37/99/934443799.db2.gz FXRXSTKQNVRJOH-OAHLLOKOSA-N 1 0 355.438 3.879 20 5 FHBDRO COc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000538129260 934523012 /nfs/dbraw/zinc/52/30/12/934523012.db2.gz IIPPHPZECYXAET-CQSZACIVSA-N 1 0 357.410 3.591 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](CO)Cc2ccco2)s1 ZINC000610871167 934549916 /nfs/dbraw/zinc/54/99/16/934549916.db2.gz MVLAIQRQXHYLKG-CQSZACIVSA-N 1 0 372.446 3.857 20 5 FHBDRO CC[NH+](CC)Cc1ccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000610874129 934551599 /nfs/dbraw/zinc/55/15/99/934551599.db2.gz QPXIAMWKECDBOP-UHFFFAOYSA-N 1 0 371.437 3.834 20 5 FHBDRO Cc1ccccc1C[N@@H+]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000610928958 934626407 /nfs/dbraw/zinc/62/64/07/934626407.db2.gz WDNVDSIUYXXGIH-UHFFFAOYSA-N 1 0 360.845 3.664 20 5 FHBDRO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000538212900 934808834 /nfs/dbraw/zinc/80/88/34/934808834.db2.gz BJRAWHOBAICQGL-HNNXBMFYSA-N 1 0 366.849 3.830 20 5 FHBDRO C[Si](C)(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC001167499362 934809414 /nfs/dbraw/zinc/80/94/14/934809414.db2.gz HGNZTNXRXXIJAX-UHFFFAOYSA-N 1 0 370.525 3.593 20 5 FHBDRO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2F)[NH+]2CCCC2)cc1 ZINC000071895723 934951606 /nfs/dbraw/zinc/95/16/06/934951606.db2.gz JJNASMQVYUVRLA-IBGZPJMESA-N 1 0 359.401 3.992 20 5 FHBDRO C[C@@H](CCO)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000119637586 934960157 /nfs/dbraw/zinc/96/01/57/934960157.db2.gz NOCJGZGRRWPPNG-LBPRGKRZSA-N 1 0 350.802 3.901 20 5 FHBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1csc(Br)c1 ZINC000065536673 934961455 /nfs/dbraw/zinc/96/14/55/934961455.db2.gz UFAHHPCXNDKZCR-UHFFFAOYSA-N 1 0 371.256 3.930 20 5 FHBDRO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000472090048 934992461 /nfs/dbraw/zinc/99/24/61/934992461.db2.gz XYUFZEXUFKFARG-INIZCTEOSA-N 1 0 364.490 3.728 20 5 FHBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[N@@H+]1CCCC[C@H]1C ZINC000437151490 945071242 /nfs/dbraw/zinc/07/12/42/945071242.db2.gz GOXASQLLTOWSQT-NEPJUHHUSA-N 1 0 373.375 3.606 20 5 FHBDRO CC(C)[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000539216167 935085033 /nfs/dbraw/zinc/08/50/33/935085033.db2.gz GMHRKCJZSRWJTH-GOSISDBHSA-N 1 0 371.393 3.807 20 5 FHBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000472125321 935098596 /nfs/dbraw/zinc/09/85/96/935098596.db2.gz BSCRQPBCZOXAFC-YVEFUNNKSA-N 1 0 360.389 3.547 20 5 FHBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000472125318 935098892 /nfs/dbraw/zinc/09/88/92/935098892.db2.gz BSCRQPBCZOXAFC-PXAZEXFGSA-N 1 0 360.389 3.547 20 5 FHBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000472125320 935098916 /nfs/dbraw/zinc/09/89/16/935098916.db2.gz BSCRQPBCZOXAFC-SJKOYZFVSA-N 1 0 360.389 3.547 20 5 FHBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000539248564 935105940 /nfs/dbraw/zinc/10/59/40/935105940.db2.gz VVOUXLFMOCOVCT-LBPRGKRZSA-N 1 0 352.337 3.926 20 5 FHBDRO COc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)c(C)c1OC ZINC000582020829 935138413 /nfs/dbraw/zinc/13/84/13/935138413.db2.gz GCJLDZNHTPHDQB-ZDUSSCGKSA-N 1 0 360.410 3.780 20 5 FHBDRO Cc1cc(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(F)cc1[N+](=O)[O-] ZINC000582091359 935241159 /nfs/dbraw/zinc/24/11/59/935241159.db2.gz OBBVHQFYOGZOQC-QGZVFWFLSA-N 1 0 374.412 3.712 20 5 FHBDRO CC(C)c1ccccc1OC[C@@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511073659 935250584 /nfs/dbraw/zinc/25/05/84/935250584.db2.gz PZDQPECXKXNTFV-SFHVURJKSA-N 1 0 372.465 3.632 20 5 FHBDRO CC(C)CNC(=O)c1cccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511075161 935270942 /nfs/dbraw/zinc/27/09/42/935270942.db2.gz YNIPFLBPWXQUMF-UHFFFAOYSA-N 1 0 369.465 3.655 20 5 FHBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000119887877 935318971 /nfs/dbraw/zinc/31/89/71/935318971.db2.gz WWQUECQTORUVCV-LZQZEXGQSA-N 1 0 371.437 3.538 20 5 FHBDRO CC(C)(CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[NH+]1CCCCC1 ZINC000437177239 945094106 /nfs/dbraw/zinc/09/41/06/945094106.db2.gz UBNVOOGUDMKSLQ-UHFFFAOYSA-N 1 0 373.375 3.608 20 5 FHBDRO CSc1ccccc1NC(=O)CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511088078 935370777 /nfs/dbraw/zinc/37/07/77/935370777.db2.gz AASLKSYWDWAVJO-UHFFFAOYSA-N 1 0 373.478 3.820 20 5 FHBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccco1 ZINC000582201303 935396032 /nfs/dbraw/zinc/39/60/32/935396032.db2.gz NNQUBAWLGJRXMD-XHDPSFHLSA-N 1 0 365.817 3.700 20 5 FHBDRO CN(CCc1ccccc1[N+](=O)[O-])Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000511095097 935457872 /nfs/dbraw/zinc/45/78/72/935457872.db2.gz ILZRSIBIWPKQBV-UHFFFAOYSA-N 1 0 372.812 3.572 20 5 FHBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C(F)(F)F)C1 ZINC000263873398 935473614 /nfs/dbraw/zinc/47/36/14/935473614.db2.gz HLUYNNWKIJQSSP-JQWIXIFHSA-N 1 0 370.331 3.980 20 5 FHBDRO CC(C)CO[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000120056517 935509808 /nfs/dbraw/zinc/50/98/08/935509808.db2.gz LCPYIZYGYUCCHJ-QGZVFWFLSA-N 1 0 359.426 3.539 20 5 FHBDRO CC(C)C[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000540719137 935539868 /nfs/dbraw/zinc/53/98/68/935539868.db2.gz FMUWNPTTYHJOKX-ZFWWWQNUSA-N 1 0 358.385 3.880 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000511104443 935579547 /nfs/dbraw/zinc/57/95/47/935579547.db2.gz GDHXYPPXKYOEHD-UHFFFAOYSA-N 1 0 367.449 3.819 20 5 FHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2nc3ccccc3n2C(F)F)c(F)c1 ZINC000478252749 935597329 /nfs/dbraw/zinc/59/73/29/935597329.db2.gz LITXHIFPTPFBMU-UHFFFAOYSA-N 1 0 364.327 3.811 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000582388740 935612585 /nfs/dbraw/zinc/61/25/85/935612585.db2.gz AEXBZUYUZHECIE-QGZVFWFLSA-N 1 0 357.841 3.885 20 5 FHBDRO Cc1c(C[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000478505720 935638923 /nfs/dbraw/zinc/63/89/23/935638923.db2.gz GQQBJCIGSPLEIW-INIZCTEOSA-N 1 0 355.438 3.591 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000127596378 935652164 /nfs/dbraw/zinc/65/21/64/935652164.db2.gz DYPSAYDWHSTQMK-KRWDZBQOSA-N 1 0 374.416 3.775 20 5 FHBDRO CN(CCC[N@H+](C)Cc1ccco1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000516672424 945115785 /nfs/dbraw/zinc/11/57/85/945115785.db2.gz QHIMNZLRKATXBU-UHFFFAOYSA-N 1 0 372.347 3.560 20 5 FHBDRO CCc1cc(N2CCC([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)CC2)ncn1 ZINC000159067442 935792906 /nfs/dbraw/zinc/79/29/06/935792906.db2.gz NKDURRRTHKRIBZ-OAHLLOKOSA-N 1 0 369.469 3.575 20 5 FHBDRO O=C(C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000050273566 935823197 /nfs/dbraw/zinc/82/31/97/935823197.db2.gz ZEBQLRXTSCVKST-SFHVURJKSA-N 1 0 359.813 3.928 20 5 FHBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000176694819 935866287 /nfs/dbraw/zinc/86/62/87/935866287.db2.gz YZVQOIQEROBMFQ-UHFFFAOYSA-N 1 0 373.428 3.814 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000110872071 945133134 /nfs/dbraw/zinc/13/31/34/945133134.db2.gz UKTUMNFUNMLKKQ-UHFFFAOYSA-N 1 0 355.438 3.673 20 5 FHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000075647634 936014289 /nfs/dbraw/zinc/01/42/89/936014289.db2.gz KYAUDJVXXIPKSN-CYBMUJFWSA-N 1 0 359.451 3.612 20 5 FHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611709380 936033495 /nfs/dbraw/zinc/03/34/95/936033495.db2.gz PLNJUMQHRJNUBS-GOEBONIOSA-N 1 0 363.421 3.785 20 5 FHBDRO Cc1cc(C)c(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000548761140 936042983 /nfs/dbraw/zinc/04/29/83/936042983.db2.gz FUIGLVYTTQAFBN-UHFFFAOYSA-N 1 0 355.438 3.681 20 5 FHBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000582747008 936071672 /nfs/dbraw/zinc/07/16/72/936071672.db2.gz ZQTXPXJYHILSSX-QAPCUYQASA-N 1 0 371.485 3.832 20 5 FHBDRO COc1ccc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(OC)c1OC ZINC000178653679 936085092 /nfs/dbraw/zinc/08/50/92/936085092.db2.gz OKFDDFLGPNHPJM-CYBMUJFWSA-N 1 0 360.410 3.514 20 5 FHBDRO COc1cc(OC)c(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000178654547 936087237 /nfs/dbraw/zinc/08/72/37/936087237.db2.gz XMTHYWZOMCUONE-CYBMUJFWSA-N 1 0 360.410 3.514 20 5 FHBDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000178661530 936092390 /nfs/dbraw/zinc/09/23/90/936092390.db2.gz HSMCQNVKEPPSRT-GDBMZVCRSA-N 1 0 371.437 3.542 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000178681466 936173358 /nfs/dbraw/zinc/17/33/58/936173358.db2.gz GEQBBSYOFFWYGU-LSDHHAIUSA-N 1 0 353.422 3.532 20 5 FHBDRO CCN(C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000178684190 936205027 /nfs/dbraw/zinc/20/50/27/936205027.db2.gz BOKRIIOFXFGYAJ-CVEARBPZSA-N 1 0 355.438 3.995 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000178690542 936207303 /nfs/dbraw/zinc/20/73/03/936207303.db2.gz RIVMUVJABRSDDA-CABCVRRESA-N 1 0 373.428 3.740 20 5 FHBDRO Cc1nc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)sc1C ZINC000178690392 936207312 /nfs/dbraw/zinc/20/73/12/936207312.db2.gz DOVKXRMZSQLCJL-RYUDHWBXSA-N 1 0 362.455 3.654 20 5 FHBDRO C[NH+](C)C1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000078641605 936229017 /nfs/dbraw/zinc/22/90/17/936229017.db2.gz GLKBKPIRGUQVPD-UHFFFAOYSA-N 1 0 368.437 3.505 20 5 FHBDRO CCOc1cc(C[N@@H+]2CC[C@H]2Cc2ccc(OC)cc2)ccc1[N+](=O)[O-] ZINC001167636448 936273960 /nfs/dbraw/zinc/27/39/60/936273960.db2.gz SVMCEUOTZSPJET-KRWDZBQOSA-N 1 0 356.422 3.819 20 5 FHBDRO CC(C)C[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[NH+](C)C ZINC000277979021 936301941 /nfs/dbraw/zinc/30/19/41/936301941.db2.gz MEIXSTVCMOEFGV-OAHLLOKOSA-N 1 0 365.477 3.800 20 5 FHBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)c1ccc(F)cc1 ZINC000052486055 938339430 /nfs/dbraw/zinc/33/94/30/938339430.db2.gz DLRRLQWFXCVHSW-LJQANCHMSA-N 1 0 354.385 3.997 20 5 FHBDRO Cc1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000583721598 938375911 /nfs/dbraw/zinc/37/59/11/938375911.db2.gz GNHILKOVQPDIEA-IBGZPJMESA-N 1 0 356.422 3.573 20 5 FHBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)CC(=O)N2C ZINC000278397632 938385820 /nfs/dbraw/zinc/38/58/20/938385820.db2.gz FKZLFHYFVNJVLB-BFUOFWGJSA-N 1 0 365.433 3.842 20 5 FHBDRO C[C@H](C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000583787050 938408495 /nfs/dbraw/zinc/40/84/95/938408495.db2.gz YOLLNAGSLIFXNE-FPXQBCRKSA-N 1 0 359.470 3.562 20 5 FHBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000458750166 938520787 /nfs/dbraw/zinc/52/07/87/938520787.db2.gz BAQONVYFQOZPQF-GRDNDAEWSA-N 1 0 374.441 3.677 20 5 FHBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000458750167 938520904 /nfs/dbraw/zinc/52/09/04/938520904.db2.gz BAQONVYFQOZPQF-JKIFEVAISA-N 1 0 374.441 3.677 20 5 FHBDRO CC(C)C(=O)N1CCC([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000278608649 938578742 /nfs/dbraw/zinc/57/87/42/938578742.db2.gz AXRYFDVVVXPEFS-SFHVURJKSA-N 1 0 359.470 3.554 20 5 FHBDRO COC(=O)CCC(C)(C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000584383763 938786611 /nfs/dbraw/zinc/78/66/11/938786611.db2.gz PDNYPRMWADDBJD-UHFFFAOYSA-N 1 0 363.439 3.540 20 5 FHBDRO CC(C)[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000548826137 938817255 /nfs/dbraw/zinc/81/72/55/938817255.db2.gz WKSFDWCFRPYOBZ-KRWDZBQOSA-N 1 0 355.438 3.953 20 5 FHBDRO CC[C@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000158849221 938898423 /nfs/dbraw/zinc/89/84/23/938898423.db2.gz UDJMDFMYFUWPNB-KUHUBIRLSA-N 1 0 351.410 3.977 20 5 FHBDRO C[C@H](C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000101825895 938936538 /nfs/dbraw/zinc/93/65/38/938936538.db2.gz ZFAAGQKMXVJJLY-OXJNMPFZSA-N 1 0 367.449 3.652 20 5 FHBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c2ncccc12 ZINC000480576867 938996262 /nfs/dbraw/zinc/99/62/62/938996262.db2.gz GXPVHVFBVWSHRR-HDICACEKSA-N 1 0 374.444 3.711 20 5 FHBDRO COC(=O)c1ccccc1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000480585922 938997038 /nfs/dbraw/zinc/99/70/38/938997038.db2.gz ZZNRLLASMDUBIM-UHFFFAOYSA-N 1 0 354.406 3.589 20 5 FHBDRO CC(C)c1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000188127254 939018619 /nfs/dbraw/zinc/01/86/19/939018619.db2.gz VZVKLWKJAPIGTD-APWZRJJASA-N 1 0 371.481 3.807 20 5 FHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccccc2)c1 ZINC000120850289 945252434 /nfs/dbraw/zinc/25/24/34/945252434.db2.gz OXRVRXLLGIBSBW-UHFFFAOYSA-N 1 0 373.478 3.521 20 5 FHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)cc1 ZINC000614235975 939902413 /nfs/dbraw/zinc/90/24/13/939902413.db2.gz SXNRLCVXUQHXGA-KRWDZBQOSA-N 1 0 350.422 3.857 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000179671957 939913395 /nfs/dbraw/zinc/91/33/95/939913395.db2.gz NLBCVXCBHJEGHW-OAHLLOKOSA-N 1 0 371.437 3.980 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc(OCC(F)(F)F)c2)cc1 ZINC000518275830 945282052 /nfs/dbraw/zinc/28/20/52/945282052.db2.gz SPBZFGMAFYEYAG-UHFFFAOYSA-N 1 0 354.328 3.868 20 5 FHBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179774886 939933399 /nfs/dbraw/zinc/93/33/99/939933399.db2.gz WSTWZFFJFOZNPF-CQSZACIVSA-N 1 0 353.422 3.837 20 5 FHBDRO Cc1nc(C)c([C@@H](C)[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000411282500 940027546 /nfs/dbraw/zinc/02/75/46/940027546.db2.gz UZYLJCKTSRVQFR-GFCCVEGCSA-N 1 0 362.455 3.690 20 5 FHBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)c1 ZINC000472429006 940068617 /nfs/dbraw/zinc/06/86/17/940068617.db2.gz VORZTVHPRPVHHC-UHFFFAOYSA-N 1 0 355.225 3.763 20 5 FHBDRO CC(C)CCSc1ccc(C(=O)N2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000236601525 940073567 /nfs/dbraw/zinc/07/35/67/940073567.db2.gz HMUATYFNBBIPJF-HNNXBMFYSA-N 1 0 365.499 3.686 20 5 FHBDRO Cc1ccc2c(CN3CCOc4ccc([N+](=O)[O-])cc4C3)ccc(O)c2n1 ZINC000517205420 940151982 /nfs/dbraw/zinc/15/19/82/940151982.db2.gz YGUOFFRIZPGDEC-UHFFFAOYSA-N 1 0 365.389 3.552 20 5 FHBDRO N=c1cc(C[NH3+])ccn1-c1cnc2c3ccccc3c3ccccc3c2n1 ZINC001167690658 940262447 /nfs/dbraw/zinc/26/24/47/940262447.db2.gz JODGJMIBDJMKKQ-UHFFFAOYSA-N 1 0 351.413 3.665 20 5 FHBDRO C[NH+](C)CCOc1ccc(CCNc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000511379253 940275789 /nfs/dbraw/zinc/27/57/89/940275789.db2.gz PVPKIYZJRUSESA-UHFFFAOYSA-N 1 0 363.845 3.843 20 5 FHBDRO C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Oc1cccc(F)c1 ZINC000124597514 945311669 /nfs/dbraw/zinc/31/16/69/945311669.db2.gz IBBOEUNAEDSDDQ-OAHLLOKOSA-N 1 0 373.428 3.760 20 5 FHBDRO C[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1)c1ccc([N+](=O)[O-])cc1F ZINC000612954628 940358363 /nfs/dbraw/zinc/35/83/63/940358363.db2.gz LWJPDURPTUTYMR-WODVXLOZSA-N 1 0 360.389 3.609 20 5 FHBDRO CC(C)Oc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000581171252 940494774 /nfs/dbraw/zinc/49/47/74/940494774.db2.gz SPUZQBXAAXPTGQ-RTBURBONSA-N 1 0 372.469 3.895 20 5 FHBDRO Cc1cc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(F)cc1[N+](=O)[O-] ZINC000582091358 940652480 /nfs/dbraw/zinc/65/24/80/940652480.db2.gz OBBVHQFYOGZOQC-KRWDZBQOSA-N 1 0 374.412 3.712 20 5 FHBDRO C[C@@H]([NH2+]CCc1cn(C)cn1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414152351 940683443 /nfs/dbraw/zinc/68/34/43/940683443.db2.gz XIXBBTRWXYAIRK-CYBMUJFWSA-N 1 0 356.451 3.950 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCC1CCCCC1 ZINC000507587594 945343898 /nfs/dbraw/zinc/34/38/98/945343898.db2.gz SIGPOMXFWQFGEV-UHFFFAOYSA-N 1 0 363.458 3.834 20 5 FHBDRO CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000414222378 940793627 /nfs/dbraw/zinc/79/36/27/940793627.db2.gz FHFGTHGUPUDGAE-IAGOWNOFSA-N 1 0 357.458 3.757 20 5 FHBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000175172592 940816861 /nfs/dbraw/zinc/81/68/61/940816861.db2.gz UOABWSVXCOVAHG-UHFFFAOYSA-N 1 0 367.877 3.736 20 5 FHBDRO COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)c1 ZINC000452025362 940819376 /nfs/dbraw/zinc/81/93/76/940819376.db2.gz ZRWNHGYTCUOKPL-KOMQPUFPSA-N 1 0 366.421 3.858 20 5 FHBDRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000414242199 940823284 /nfs/dbraw/zinc/82/32/84/940823284.db2.gz HJTALVMHIIJGLS-ZRGWGRIASA-N 1 0 358.442 3.548 20 5 FHBDRO CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000414260697 940854443 /nfs/dbraw/zinc/85/44/43/940854443.db2.gz IQZGVBFSNHHUEH-NWDGAFQWSA-N 1 0 361.364 3.880 20 5 FHBDRO CC[C@H](C)NC(=O)CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180251615 940876193 /nfs/dbraw/zinc/87/61/93/940876193.db2.gz ZBTRWSLCEILTBM-MGPUTAFESA-N 1 0 355.438 3.579 20 5 FHBDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180251564 940876424 /nfs/dbraw/zinc/87/64/24/940876424.db2.gz ZBTRWSLCEILTBM-QRWLVFNGSA-N 1 0 355.438 3.579 20 5 FHBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000452059411 940999883 /nfs/dbraw/zinc/99/98/83/940999883.db2.gz KHDDSZZHYPYBMV-QGZVFWFLSA-N 1 0 362.451 3.529 20 5 FHBDRO COC(=O)c1cc2cc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)ccc2o1 ZINC000180437777 941014605 /nfs/dbraw/zinc/01/46/05/941014605.db2.gz YLOFRDZCJNKWGR-GFCCVEGCSA-N 1 0 354.362 3.978 20 5 FHBDRO C[C@H]([NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180450015 941018275 /nfs/dbraw/zinc/01/82/75/941018275.db2.gz KBXQIZOHUUTHNI-SJCJKPOMSA-N 1 0 368.355 3.868 20 5 FHBDRO CCc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H](CO)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414347646 941021507 /nfs/dbraw/zinc/02/15/07/941021507.db2.gz WBAOBVGXZXYESB-AKCHCHLHSA-N 1 0 358.438 3.980 20 5 FHBDRO CCCOc1ccc(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])c(C)c1 ZINC000188795574 941089464 /nfs/dbraw/zinc/08/94/64/941089464.db2.gz WPWADFACLURTOT-UHFFFAOYSA-N 1 0 360.410 3.696 20 5 FHBDRO COCCO[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000188814677 941095691 /nfs/dbraw/zinc/09/56/91/941095691.db2.gz RXSGOWIRVLSMKZ-INIZCTEOSA-N 1 0 362.451 3.561 20 5 FHBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@@H]2CCN(c3ccccn3)C2)c2ccccc2)c1 ZINC000181012379 941102770 /nfs/dbraw/zinc/10/27/70/941102770.db2.gz CPMOOALNSODZQJ-DENIHFKCSA-N 1 0 374.444 3.948 20 5 FHBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000177519874 941132258 /nfs/dbraw/zinc/13/22/58/941132258.db2.gz YAOXRVQXVCSIDK-JHJVBQTASA-N 1 0 351.834 3.697 20 5 FHBDRO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000189031896 941142399 /nfs/dbraw/zinc/14/23/99/941142399.db2.gz DBDUOBSIDLXNLF-RBUKOAKNSA-N 1 0 371.412 3.576 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000189170353 941149424 /nfs/dbraw/zinc/14/94/24/941149424.db2.gz ZMNCQKDWTLNRPT-INIZCTEOSA-N 1 0 367.449 3.529 20 5 FHBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000189498438 941159303 /nfs/dbraw/zinc/15/93/03/941159303.db2.gz JBPWMNNWNXGYRK-GJZGRUSLSA-N 1 0 362.455 3.799 20 5 FHBDRO CC(C)(C(=O)Nc1cccc(-n2ccnc2)c1)c1ccccc1[N+](=O)[O-] ZINC000431833723 941247930 /nfs/dbraw/zinc/24/79/30/941247930.db2.gz KOPAJZOSKFJQPS-UHFFFAOYSA-N 1 0 350.378 3.697 20 5 FHBDRO Cn1cc(C[N@@H+]2CCSC3(CCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414479239 941328471 /nfs/dbraw/zinc/32/84/71/941328471.db2.gz RMHBSIAMXZTHLI-UHFFFAOYSA-N 1 0 372.494 3.857 20 5 FHBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000066726929 941348483 /nfs/dbraw/zinc/34/84/83/941348483.db2.gz RSWIXQACNJKUJY-UHFFFAOYSA-N 1 0 355.438 3.627 20 5 FHBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000472639104 941362597 /nfs/dbraw/zinc/36/25/97/941362597.db2.gz SDLOGXUTJAGTOO-RYQLBKOJSA-N 1 0 367.449 3.923 20 5 FHBDRO CC[C@@H](C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC(F)(F)F ZINC000414515335 941370482 /nfs/dbraw/zinc/37/04/82/941370482.db2.gz LVSWTQRQHLRIQG-SNVBAGLBSA-N 1 0 350.337 3.680 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3C[C@@H](C)O[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414516386 941370678 /nfs/dbraw/zinc/37/06/78/941370678.db2.gz OTUKKKIOWPGEBU-MCIONIFRSA-N 1 0 360.410 3.767 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000414591182 941388399 /nfs/dbraw/zinc/38/83/99/941388399.db2.gz YKUATOFSKKVEHY-KBPBESRZSA-N 1 0 360.410 3.504 20 5 FHBDRO COc1cc(N[C@H](C)C[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000311852226 941404289 /nfs/dbraw/zinc/40/42/89/941404289.db2.gz WBKADAAKEIMQON-CQSZACIVSA-N 1 0 359.426 3.544 20 5 FHBDRO C[NH2+][C@@H]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000414656865 941428793 /nfs/dbraw/zinc/42/87/93/941428793.db2.gz NSFFUIWWKLWOLX-CQSZACIVSA-N 1 0 361.829 3.834 20 5 FHBDRO C[C@H]1CN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000414660874 941429813 /nfs/dbraw/zinc/42/98/13/941429813.db2.gz ORDJCCRZUIDIRE-YJBOKZPZSA-N 1 0 354.454 3.532 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(CN(C3CC3)[C@@H]3CC[NH2+]C3)o2)c(Cl)c1 ZINC000414654320 941432429 /nfs/dbraw/zinc/43/24/29/941432429.db2.gz BWWCWSZMTIRRLD-CQSZACIVSA-N 1 0 361.829 3.835 20 5 FHBDRO [NH3+]C[C@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000414793072 941468750 /nfs/dbraw/zinc/46/87/50/941468750.db2.gz CZMQGMLLSPJPMX-HNNXBMFYSA-N 1 0 361.829 3.867 20 5 FHBDRO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](C)c1ccccc1 ZINC000181537721 941538034 /nfs/dbraw/zinc/53/80/34/941538034.db2.gz CSTUKUGQXNWXJQ-KGLIPLIRSA-N 1 0 352.394 3.927 20 5 FHBDRO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000311925124 941651824 /nfs/dbraw/zinc/65/18/24/941651824.db2.gz FLDQYKRKBXMKBC-DYVFJYSZSA-N 1 0 373.840 3.641 20 5 FHBDRO CC1(C)CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC[NH2+]1 ZINC000415181072 941653702 /nfs/dbraw/zinc/65/37/02/941653702.db2.gz ADXOVVUNIVQBHF-UHFFFAOYSA-N 1 0 370.409 3.603 20 5 FHBDRO O=C(NCCC[NH2+]C1CC1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415199246 941669115 /nfs/dbraw/zinc/66/91/15/941669115.db2.gz VRZASFZGEZHIQU-UHFFFAOYSA-N 1 0 370.409 3.651 20 5 FHBDRO CN(C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H](C[NH3+])C1CC1 ZINC000415200236 941670071 /nfs/dbraw/zinc/67/00/71/941670071.db2.gz WYJIQXJBCYSCEE-GOSISDBHSA-N 1 0 370.409 3.588 20 5 FHBDRO Cc1sc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000063080376 941710776 /nfs/dbraw/zinc/71/07/76/941710776.db2.gz DOGHMVDCLHDNCC-UHFFFAOYSA-N 1 0 373.478 3.607 20 5 FHBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@](C)(Cc1ccccc1)c1ccccc1 ZINC000412089027 941715510 /nfs/dbraw/zinc/71/55/10/941715510.db2.gz DMEWJACJZBNEAY-HXUWFJFHSA-N 1 0 350.422 3.576 20 5 FHBDRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000513227928 941798424 /nfs/dbraw/zinc/79/84/24/941798424.db2.gz GCJYSBJXAKLWDX-YWZLYKJASA-N 1 0 365.433 3.567 20 5 FHBDRO C[C@H](CCNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000472798930 941812438 /nfs/dbraw/zinc/81/24/38/941812438.db2.gz XQTPMPXRCGMNJS-OAHLLOKOSA-N 1 0 356.426 3.627 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000182351052 941816453 /nfs/dbraw/zinc/81/64/53/941816453.db2.gz JOBBABFBECUIBP-AWEZNQCLSA-N 1 0 357.410 3.591 20 5 FHBDRO COc1ccc(NC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000415450992 941828907 /nfs/dbraw/zinc/82/89/07/941828907.db2.gz XAAKUWDRWWHIEC-MRXNPFEDSA-N 1 0 372.425 3.548 20 5 FHBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000473528017 941941299 /nfs/dbraw/zinc/94/12/99/941941299.db2.gz LQFGCSDSILYYEV-UHFFFAOYSA-N 1 0 362.433 3.855 20 5 FHBDRO CCC[NH+]1CCC(NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000236795186 941960293 /nfs/dbraw/zinc/96/02/93/941960293.db2.gz BXSBJSPPMGCHAB-UHFFFAOYSA-N 1 0 373.453 3.827 20 5 FHBDRO Cc1ncc(CN2CC[C@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)[C@@H](C)C2)s1 ZINC000377794222 941996966 /nfs/dbraw/zinc/99/69/66/941996966.db2.gz XWTAXXFNZONUCY-KSSFIOAISA-N 1 0 374.510 3.668 20 5 FHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1conc1Cc1ccccc1 ZINC000513555077 942010295 /nfs/dbraw/zinc/01/02/95/942010295.db2.gz UWYPRHABXLWEFT-UHFFFAOYSA-N 1 0 351.406 3.848 20 5 FHBDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000513631794 942046849 /nfs/dbraw/zinc/04/68/49/942046849.db2.gz HUPBHXYBLXGKBG-HNNXBMFYSA-N 1 0 355.438 3.928 20 5 FHBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@H]3COCCO3)cc2[N+](=O)[O-])cc1 ZINC000513649328 942054457 /nfs/dbraw/zinc/05/44/57/942054457.db2.gz WSKBJBIRCAFCBE-INIZCTEOSA-N 1 0 374.462 3.559 20 5 FHBDRO C[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000513678022 942069928 /nfs/dbraw/zinc/06/99/28/942069928.db2.gz GXBOVHFKGBZIAB-KUHUBIRLSA-N 1 0 368.412 3.950 20 5 FHBDRO O=C(CC[NH+]1CCC(F)(c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000501870144 942090656 /nfs/dbraw/zinc/09/06/56/942090656.db2.gz LCIAAPKQPXOCKN-UHFFFAOYSA-N 1 0 371.412 3.884 20 5 FHBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000473535632 942134047 /nfs/dbraw/zinc/13/40/47/942134047.db2.gz XSKDHLCCVXVXOG-YJBOKZPZSA-N 1 0 352.438 3.596 20 5 FHBDRO CC(C)c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000187877624 942236758 /nfs/dbraw/zinc/23/67/58/942236758.db2.gz XNMMXCSSXWFDAP-UHFFFAOYSA-N 1 0 359.426 3.515 20 5 FHBDRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000085638401 942292164 /nfs/dbraw/zinc/29/21/64/942292164.db2.gz OESZDDIFHWVDCB-UHFFFAOYSA-N 1 0 370.453 3.985 20 5 FHBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cccc(SC)c2[N+](=O)[O-])c1 ZINC000188079100 942327356 /nfs/dbraw/zinc/32/73/56/942327356.db2.gz WPKSFXVABULXFC-UHFFFAOYSA-N 1 0 373.478 3.698 20 5 FHBDRO CCc1cc(N2CCC([NH2+][C@H](CC)c3cccc([N+](=O)[O-])c3)CC2)ncn1 ZINC000159087588 942334887 /nfs/dbraw/zinc/33/48/87/942334887.db2.gz JCDGEQJSSQBVKL-LJQANCHMSA-N 1 0 369.469 3.657 20 5 FHBDRO Cc1ccc([C@@H](C)NC(=O)CC[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000416169253 942428968 /nfs/dbraw/zinc/42/89/68/942428968.db2.gz CYBLELSAKIAONP-MRXNPFEDSA-N 1 0 367.449 3.529 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2cccnc21 ZINC000413199968 942472470 /nfs/dbraw/zinc/47/24/70/942472470.db2.gz JTKMKTVQBCDUCK-YOEHRIQHSA-N 1 0 352.438 3.596 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413210330 942479349 /nfs/dbraw/zinc/47/93/49/942479349.db2.gz VQZAWSLELWSZEP-CQSZACIVSA-N 1 0 350.438 3.610 20 5 FHBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCC[C@H]1C ZINC000501477243 942501609 /nfs/dbraw/zinc/50/16/09/942501609.db2.gz IPXSYPCGECEFFZ-VXGBXAGGSA-N 1 0 354.838 3.633 20 5 FHBDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CCO1 ZINC000421370678 942521324 /nfs/dbraw/zinc/52/13/24/942521324.db2.gz CEJHWDCXJINSHV-KGLIPLIRSA-N 1 0 360.410 3.911 20 5 FHBDRO COc1ccc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(C)c1OC ZINC000513716438 942521503 /nfs/dbraw/zinc/52/15/03/942521503.db2.gz BUWWQBOEFMFOKS-AWEZNQCLSA-N 1 0 360.410 3.650 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@H](CCO)CC3)cs2)c1 ZINC000421398213 942549472 /nfs/dbraw/zinc/54/94/72/942549472.db2.gz NTSBPJCADJDPMV-AWEZNQCLSA-N 1 0 361.467 3.703 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000421419328 942550293 /nfs/dbraw/zinc/55/02/93/942550293.db2.gz KMPWFQINOGOOAF-UHFFFAOYSA-N 1 0 371.437 3.541 20 5 FHBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])c2ncccc12)CCC(F)(F)F ZINC000413256038 942568663 /nfs/dbraw/zinc/56/86/63/942568663.db2.gz BSWPLMDNCSQGHS-UHFFFAOYSA-N 1 0 356.348 3.829 20 5 FHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434350072 942597953 /nfs/dbraw/zinc/59/79/53/942597953.db2.gz OORWTAFBCUARKX-LJQANCHMSA-N 1 0 374.485 3.532 20 5 FHBDRO COc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000237226815 942603830 /nfs/dbraw/zinc/60/38/30/942603830.db2.gz RCJZLAISMZGGQV-UHFFFAOYSA-N 1 0 366.421 3.602 20 5 FHBDRO CC[N@@H+]1CC[C@H](N(C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C)C1 ZINC000093638666 942632365 /nfs/dbraw/zinc/63/23/65/942632365.db2.gz SZFINNBZRYMOJK-KDOFPFPSSA-N 1 0 374.510 3.880 20 5 FHBDRO Cc1cccc([C@H]2CC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000541391234 942670685 /nfs/dbraw/zinc/67/06/85/942670685.db2.gz XGNMQQAWONUPRN-KRWDZBQOSA-N 1 0 364.405 3.943 20 5 FHBDRO C[C@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000514081509 942733525 /nfs/dbraw/zinc/73/35/25/942733525.db2.gz CCXVPQFSYSITSA-BEFAXECRSA-N 1 0 350.422 3.811 20 5 FHBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421709793 942763367 /nfs/dbraw/zinc/76/33/67/942763367.db2.gz HFYTVYLCXNEPHS-OAHLLOKOSA-N 1 0 365.499 3.653 20 5 FHBDRO COc1cc(C[NH2+]C[C@H](C)Oc2ccc(Cl)cc2)c([N+](=O)[O-])cc1O ZINC000237260689 942768595 /nfs/dbraw/zinc/76/85/95/942768595.db2.gz HFLOWSVXRWVKED-NSHDSACASA-N 1 0 366.801 3.520 20 5 FHBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000421700058 942771469 /nfs/dbraw/zinc/77/14/69/942771469.db2.gz CXWKRUWYAMXCJS-INIZCTEOSA-N 1 0 369.421 3.553 20 5 FHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CCN(CCc2ccncc2)CC1 ZINC000378438399 942773433 /nfs/dbraw/zinc/77/34/33/942773433.db2.gz ZFVVLYOBMRSYTM-KRWDZBQOSA-N 1 0 368.481 3.690 20 5 FHBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)c2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000181587062 942775717 /nfs/dbraw/zinc/77/57/17/942775717.db2.gz CYCAUBRLPUWWSH-GFCCVEGCSA-N 1 0 363.364 3.861 20 5 FHBDRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000514185782 942794311 /nfs/dbraw/zinc/79/43/11/942794311.db2.gz KWMGAWIKSHGTSD-SFHVURJKSA-N 1 0 367.449 3.857 20 5 FHBDRO O=[N+]([O-])c1cccc([C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2)c1 ZINC000378494348 942826939 /nfs/dbraw/zinc/82/69/39/942826939.db2.gz KXJUKPAXOZSNRW-SVFBPWRDSA-N 1 0 351.450 3.901 20 5 FHBDRO O=[N+]([O-])c1cccc([C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2)c1 ZINC000378494339 942827229 /nfs/dbraw/zinc/82/72/29/942827229.db2.gz KXJUKPAXOZSNRW-IRFCIJBXSA-N 1 0 351.450 3.901 20 5 FHBDRO Cc1cc(F)cc2c1C[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000502909358 942833607 /nfs/dbraw/zinc/83/36/07/942833607.db2.gz OQBIFGRQVHWQJC-UHFFFAOYSA-N 1 0 371.412 3.738 20 5 FHBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000190176527 942854304 /nfs/dbraw/zinc/85/43/04/942854304.db2.gz QIGCPSIZBOUORN-AWEZNQCLSA-N 1 0 373.375 3.834 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC([C@H]4CCCOC4)CC3)co2)cc1 ZINC000378597075 942931815 /nfs/dbraw/zinc/93/18/15/942931815.db2.gz QEGWDGSQEWOHPD-KRWDZBQOSA-N 1 0 371.437 3.888 20 5 FHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CCC(F)(F)CC1 ZINC000503089710 942978845 /nfs/dbraw/zinc/97/88/45/942978845.db2.gz ZCZLYJGCTUHWGN-GFCCVEGCSA-N 1 0 355.385 3.727 20 5 FHBDRO Cc1cc(N2CC[C@H](c3nc(C4CC4)no3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000425255394 943065339 /nfs/dbraw/zinc/06/53/39/943065339.db2.gz PKRHPUBWRDHQGW-ZDUSSCGKSA-N 1 0 365.393 3.706 20 5 FHBDRO C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000505602931 943150848 /nfs/dbraw/zinc/15/08/48/943150848.db2.gz BERDRWWVQRXQCP-YVEFUNNKSA-N 1 0 361.829 3.669 20 5 FHBDRO COc1cccc([C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)N(C)C)c1 ZINC000133683769 943183063 /nfs/dbraw/zinc/18/30/63/943183063.db2.gz LYSSZAHYMMXHIY-YWZLYKJASA-N 1 0 357.454 3.865 20 5 FHBDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000435246088 943277481 /nfs/dbraw/zinc/27/74/81/943277481.db2.gz PLZOAJYXAJSPDO-HNNXBMFYSA-N 1 0 358.394 3.630 20 5 FHBDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000435246089 943277672 /nfs/dbraw/zinc/27/76/72/943277672.db2.gz PLZOAJYXAJSPDO-OAHLLOKOSA-N 1 0 358.394 3.630 20 5 FHBDRO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000435373483 943355155 /nfs/dbraw/zinc/35/51/55/943355155.db2.gz DRZGMXWPKYFLDA-ZFWWWQNUSA-N 1 0 359.401 3.695 20 5 FHBDRO C[NH2+]C1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000435388159 943375158 /nfs/dbraw/zinc/37/51/58/943375158.db2.gz DJLKGLVTIHKIME-UHFFFAOYSA-N 1 0 354.454 3.547 20 5 FHBDRO O=[N+]([O-])c1ccc(CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC000435393069 943380100 /nfs/dbraw/zinc/38/01/00/943380100.db2.gz YPZHMWUIUYXZCA-KRWDZBQOSA-N 1 0 374.872 3.788 20 5 FHBDRO [NH3+][C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccccc21 ZINC000423086545 943388895 /nfs/dbraw/zinc/38/88/95/943388895.db2.gz MAQZFNVYTRQYSO-HZPDHXFCSA-N 1 0 351.328 3.848 20 5 FHBDRO O=[N+]([O-])c1cc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000423085692 943388979 /nfs/dbraw/zinc/38/89/79/943388979.db2.gz KHYJHCVSFRKRJS-HRCADAONSA-N 1 0 357.376 3.624 20 5 FHBDRO C[C@@H]([NH2+][C@H](Cn1ccccc1=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000503937167 943425773 /nfs/dbraw/zinc/42/57/73/943425773.db2.gz LGMWJJCNVLFVRP-OXQOHEQNSA-N 1 0 363.417 3.849 20 5 FHBDRO CC(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000423234308 943442766 /nfs/dbraw/zinc/44/27/66/943442766.db2.gz FOCNFGNTAONNRR-GUDVDZBRSA-N 1 0 371.485 3.688 20 5 FHBDRO Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423352155 943487767 /nfs/dbraw/zinc/48/77/67/943487767.db2.gz JXNJYYVCKBGSLG-BZSNNMDCSA-N 1 0 355.442 3.524 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1nnc3n1CCCCC3)CCCC2 ZINC000417302350 943495833 /nfs/dbraw/zinc/49/58/33/943495833.db2.gz BCZSCDGOGXEIKE-GOSISDBHSA-N 1 0 369.469 3.513 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OCCO)cc1)CCCC2 ZINC000417304178 943496726 /nfs/dbraw/zinc/49/67/26/943496726.db2.gz BRHGRQLTTZOMMY-FQEVSTJZSA-N 1 0 356.422 3.523 20 5 FHBDRO C[C@H]1CC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CN1C(=O)OC(C)(C)C ZINC000690822925 943514109 /nfs/dbraw/zinc/51/41/09/943514109.db2.gz JMZGVDPVJIILCC-WCQYABFASA-N 1 0 355.460 3.534 20 5 FHBDRO CNC(=O)c1cccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417349175 943528199 /nfs/dbraw/zinc/52/81/99/943528199.db2.gz ZSYFNFUDGNPUQP-IBGZPJMESA-N 1 0 353.422 3.512 20 5 FHBDRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000417349355 943528521 /nfs/dbraw/zinc/52/85/21/943528521.db2.gz DYIPRSCVCOEXDR-IPELMVKDSA-N 1 0 370.453 3.606 20 5 FHBDRO CCOc1ccc([C@H](C)NC[C@H]([NH3+])c2ccccc2CC)cc1[N+](=O)[O-] ZINC000423513085 943541983 /nfs/dbraw/zinc/54/19/83/943541983.db2.gz VAZADTYVRRBQMQ-KSSFIOAISA-N 1 0 357.454 3.907 20 5 FHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000435729774 943572690 /nfs/dbraw/zinc/57/26/90/943572690.db2.gz VMDPUAGSNHGBAA-VTEWUSFYSA-N 1 0 371.481 3.769 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000435771623 943601667 /nfs/dbraw/zinc/60/16/67/943601667.db2.gz MJENNCFFCBXXQO-IZZDOVSWSA-N 1 0 351.450 3.816 20 5 FHBDRO COc1ccc(CC2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000504537680 943661295 /nfs/dbraw/zinc/66/12/95/943661295.db2.gz BPNVJAXMQFQCOB-UHFFFAOYSA-N 1 0 370.449 3.937 20 5 FHBDRO C[NH2+]CCCN(C)C(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000424030903 943695801 /nfs/dbraw/zinc/69/58/01/943695801.db2.gz HUEQNMNBZZKAGF-UHFFFAOYSA-N 1 0 373.478 3.736 20 5 FHBDRO [NH3+][C@@H](CCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)CC1CCCCC1 ZINC000424135328 943747020 /nfs/dbraw/zinc/74/70/20/943747020.db2.gz JHAAFPHNMWGEAX-SFHVURJKSA-N 1 0 359.470 3.557 20 5 FHBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000515325163 943789953 /nfs/dbraw/zinc/78/99/53/943789953.db2.gz MMGVPBQDTNAKJA-YJBOKZPZSA-N 1 0 371.485 3.609 20 5 FHBDRO COc1cccc([C@H]2[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)CCN2C2CC2)c1 ZINC000549476719 943813213 /nfs/dbraw/zinc/81/32/13/943813213.db2.gz HBGSBJBLAVKBIA-SFTDATJTSA-N 1 0 367.449 3.671 20 5 FHBDRO CC(C)(C)CC[NH+]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436320159 943843474 /nfs/dbraw/zinc/84/34/74/943843474.db2.gz SLNXNAFUFLMWEB-UHFFFAOYSA-N 1 0 360.380 3.567 20 5 FHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000516937475 943845838 /nfs/dbraw/zinc/84/58/38/943845838.db2.gz HENVPXPHGPQSMT-CQSZACIVSA-N 1 0 367.327 3.708 20 5 FHBDRO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000424337199 943868699 /nfs/dbraw/zinc/86/86/99/943868699.db2.gz ZDNZPYWOJGIZRS-NWDGAFQWSA-N 1 0 363.439 3.510 20 5 FHBDRO [NH3+]C1(c2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)CCCCC1 ZINC000424338600 943869575 /nfs/dbraw/zinc/86/95/75/943869575.db2.gz AULNXDWNXIBDOX-UHFFFAOYSA-N 1 0 371.422 3.886 20 5 FHBDRO [NH3+]C1(c2noc(-c3ccc(Br)cc3[N+](=O)[O-])n2)CCCCC1 ZINC000424341048 943871969 /nfs/dbraw/zinc/87/19/69/943871969.db2.gz HZENHGAJFRPODU-UHFFFAOYSA-N 1 0 367.203 3.525 20 5 FHBDRO CCC[NH+]1CCC([NH2+][C@@H](CC)CSc2ccccc2[N+](=O)[O-])CC1 ZINC000504900199 943877360 /nfs/dbraw/zinc/87/73/60/943877360.db2.gz SZKPHPJHPYTVAO-HNNXBMFYSA-N 1 0 351.516 3.930 20 5 FHBDRO Cc1ccc([C@@H](C)NC(=O)N(CCC[NH3+])CC2CCCC2)cc1[N+](=O)[O-] ZINC000417841556 943897726 /nfs/dbraw/zinc/89/77/26/943897726.db2.gz GDRXIYVHYNZLLH-OAHLLOKOSA-N 1 0 362.474 3.515 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)c1ccccc1 ZINC000504905682 943903102 /nfs/dbraw/zinc/90/31/02/943903102.db2.gz MJDOZJVUKMPJNH-IRXDYDNUSA-N 1 0 360.479 3.831 20 5 FHBDRO Cc1ccc2cc(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)ccc2n1 ZINC000437585714 943947096 /nfs/dbraw/zinc/94/70/96/943947096.db2.gz WLJMFMMRHTZOPY-UHFFFAOYSA-N 1 0 362.433 3.774 20 5 FHBDRO CN(C(=O)C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000436122964 944036870 /nfs/dbraw/zinc/03/68/70/944036870.db2.gz GPLGWVXFXJWWEV-SFHVURJKSA-N 1 0 367.449 3.512 20 5 FHBDRO O=C(CC[N@@H+](Cc1cccc(O)c1)CC1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000500091945 944082892 /nfs/dbraw/zinc/08/28/92/944082892.db2.gz NVJNFWXWHDVPNZ-UHFFFAOYSA-N 1 0 369.421 3.541 20 5 FHBDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500093948 944084715 /nfs/dbraw/zinc/08/47/15/944084715.db2.gz SWXAIUKYWYEQFH-WBVHZDCISA-N 1 0 353.422 3.801 20 5 FHBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425494129 944116178 /nfs/dbraw/zinc/11/61/78/944116178.db2.gz QCODDYKBYZFAOD-UKRRQHHQSA-N 1 0 357.248 3.795 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@]3(O)CCC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000517224072 944120660 /nfs/dbraw/zinc/12/06/60/944120660.db2.gz RUAALARXPVSURX-YJYMSZOUSA-N 1 0 360.410 3.504 20 5 FHBDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500126388 944141390 /nfs/dbraw/zinc/14/13/90/944141390.db2.gz RZXVNNFEZGRGKB-ZBFHGGJFSA-N 1 0 371.412 3.941 20 5 FHBDRO C[C@]1(c2ccccc2)CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000500142784 944156369 /nfs/dbraw/zinc/15/63/69/944156369.db2.gz WQFACZLDJIPJQM-NRFANRHFSA-N 1 0 367.449 3.977 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]Cc3cncc(C)c3)o2)c([N+](=O)[O-])c1 ZINC000123125750 944163958 /nfs/dbraw/zinc/16/39/58/944163958.db2.gz JKKUSOCMABOAPO-UHFFFAOYSA-N 1 0 353.378 3.857 20 5 FHBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000436270924 944170420 /nfs/dbraw/zinc/17/04/20/944170420.db2.gz CELDLCTVSLOJOD-ZDUSSCGKSA-N 1 0 370.331 3.851 20 5 FHBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000437855823 944176392 /nfs/dbraw/zinc/17/63/92/944176392.db2.gz ZTEMAQMLMVGTOT-HNNXBMFYSA-N 1 0 365.861 3.775 20 5 FHBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000436288981 944176508 /nfs/dbraw/zinc/17/65/08/944176508.db2.gz LTUYQLKLNLSHGF-RANZSIQMSA-N 1 0 360.454 3.627 20 5 FHBDRO CC1(C)C[C@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000436293702 944178835 /nfs/dbraw/zinc/17/88/35/944178835.db2.gz DHPVFUKANNBYAG-VCBZYWHSSA-N 1 0 371.481 3.698 20 5 FHBDRO CC1(C)C[C@@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000436293704 944179157 /nfs/dbraw/zinc/17/91/57/944179157.db2.gz DHPVFUKANNBYAG-ZRGWGRIASA-N 1 0 371.481 3.698 20 5 FHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@H](c3ccccc3F)C2)n1 ZINC000436301177 944185219 /nfs/dbraw/zinc/18/52/19/944185219.db2.gz YGLWGTRCOWFMOY-DFEHZGFQSA-N 1 0 358.417 3.950 20 5 FHBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000123169532 944232605 /nfs/dbraw/zinc/23/26/05/944232605.db2.gz UDWDPTGAKSGZKB-ZDUSSCGKSA-N 1 0 353.422 3.718 20 5 FHBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436398550 944274676 /nfs/dbraw/zinc/27/46/76/944274676.db2.gz GDMCOIFDBFABEE-LBPRGKRZSA-N 1 0 360.380 3.789 20 5 FHBDRO Cc1ccc(C[C@@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000500219342 944287295 /nfs/dbraw/zinc/28/72/95/944287295.db2.gz WXCQUPIBLLCWOH-FQEVSTJZSA-N 1 0 367.449 3.573 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]CCc3nc(C)oc3C)o2)c([N+](=O)[O-])c1 ZINC000500242245 944318982 /nfs/dbraw/zinc/31/89/82/944318982.db2.gz OGZAQEAOZWJGBD-UHFFFAOYSA-N 1 0 371.393 3.801 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000506487100 944347968 /nfs/dbraw/zinc/34/79/68/944347968.db2.gz NLYHYLRDZRUAMQ-CQSZACIVSA-N 1 0 365.499 3.511 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000506180870 944365617 /nfs/dbraw/zinc/36/56/17/944365617.db2.gz YKRDHOFGEIDYKM-CYBMUJFWSA-N 1 0 353.488 3.557 20 5 FHBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000518436640 944365966 /nfs/dbraw/zinc/36/59/66/944365966.db2.gz NJXFKXCFDKRTLF-UHFFFAOYSA-N 1 0 365.499 3.655 20 5 FHBDRO C[C@H]1CCC[C@](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)([NH+](C)C)C1 ZINC000518525266 944471189 /nfs/dbraw/zinc/47/11/89/944471189.db2.gz OIJWWPNOOXJDQR-SJCJKPOMSA-N 1 0 368.865 3.880 20 5 FHBDRO O=C(NCCCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000110438233 944488070 /nfs/dbraw/zinc/48/80/70/944488070.db2.gz QJUUSGPMYZQIQJ-UHFFFAOYSA-N 1 0 353.850 3.634 20 5 FHBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000046934520 944494871 /nfs/dbraw/zinc/49/48/71/944494871.db2.gz JBSDWIAEALFEQM-AWEZNQCLSA-N 1 0 368.437 3.782 20 5 FHBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000046934521 944495082 /nfs/dbraw/zinc/49/50/82/944495082.db2.gz JBSDWIAEALFEQM-CQSZACIVSA-N 1 0 368.437 3.782 20 5 FHBDRO C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000439324323 944537600 /nfs/dbraw/zinc/53/76/00/944537600.db2.gz RZIKNSXFMUZXKC-AEFFLSMTSA-N 1 0 367.449 3.826 20 5 FHBDRO CCCCOc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000425990779 944547434 /nfs/dbraw/zinc/54/74/34/944547434.db2.gz OWJHZFGKOJVPLZ-UHFFFAOYSA-N 1 0 358.442 3.807 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+](CCO)Cc2ccccc2)o1 ZINC000505876671 944586583 /nfs/dbraw/zinc/58/65/83/944586583.db2.gz KUQHWIWQUUXPCT-UHFFFAOYSA-N 1 0 352.390 3.849 20 5 FHBDRO O=c1[nH]ccc2c1C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000426385290 944613062 /nfs/dbraw/zinc/61/30/62/944613062.db2.gz MOGIAVCMIQMJRA-UHFFFAOYSA-N 1 0 351.362 3.514 20 5 FHBDRO COCC[C@H](COC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000566708562 944659527 /nfs/dbraw/zinc/65/95/27/944659527.db2.gz NYUHHPXBPDKQFA-GFCCVEGCSA-N 1 0 368.817 3.649 20 5 FHBDRO C[N@@H+]1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1ccccc1 ZINC000536261086 944672151 /nfs/dbraw/zinc/67/21/51/944672151.db2.gz BENVAAWMCKZWRI-APWZRJJASA-N 1 0 365.389 3.516 20 5 FHBDRO Cc1ccc(NC(=O)c2ccc(NC[C@H]3CC[N@@H+](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000517827619 944690910 /nfs/dbraw/zinc/69/09/10/944690910.db2.gz DBZPHRAIYCMGLX-OAHLLOKOSA-N 1 0 368.437 3.519 20 5 FHBDRO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000506278902 944774565 /nfs/dbraw/zinc/77/45/65/944774565.db2.gz CKSLUBVUUINLSC-QAPCUYQASA-N 1 0 368.437 3.860 20 5 FHBDRO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000506296374 944836730 /nfs/dbraw/zinc/83/67/30/944836730.db2.gz YPUVOJVLWLMADB-OTIVFRFGSA-N 1 0 365.433 3.959 20 5 FHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000507003131 944871043 /nfs/dbraw/zinc/87/10/43/944871043.db2.gz UBRNZYHMHGXENV-TZMCWYRMSA-N 1 0 357.439 3.551 20 5 FHBDRO O=[N+]([O-])c1cc(C[N@@H+](CCO)C2CCC2)ccc1Oc1ccc(F)cc1 ZINC000439765160 944947720 /nfs/dbraw/zinc/94/77/20/944947720.db2.gz DZZAIYZTAWSHLH-UHFFFAOYSA-N 1 0 360.385 3.873 20 5 FHBDRO COc1cc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000506675122 944966805 /nfs/dbraw/zinc/96/68/05/944966805.db2.gz KDNYQBCNHDWICG-QGZVFWFLSA-N 1 0 356.422 3.819 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2Cc3ccccc3N(C)C2)cc1[N+](=O)[O-] ZINC000437079195 944996721 /nfs/dbraw/zinc/99/67/21/944996721.db2.gz PTBZKAGWRHSLSM-HZPDHXFCSA-N 1 0 369.465 3.953 20 5 FHBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000437088318 945007132 /nfs/dbraw/zinc/00/71/32/945007132.db2.gz CFLWKTFTQRWQDG-SMDDNHRTSA-N 1 0 361.364 3.879 20 5 FHBDRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000437088317 945007650 /nfs/dbraw/zinc/00/76/50/945007650.db2.gz CFLWKTFTQRWQDG-RISCZKNCSA-N 1 0 361.364 3.879 20 5 FHBDRO O=[N+]([O-])c1cc(F)c(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c(F)c1 ZINC000511754839 945024482 /nfs/dbraw/zinc/02/44/82/945024482.db2.gz JMEAFVSQKQVWJK-SYNHAJSKSA-N 1 0 374.387 3.878 20 5 FHBDRO CCc1ccc([C@H](NCC2([NH+](C)C)CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000437111567 945032015 /nfs/dbraw/zinc/03/20/15/945032015.db2.gz DQUYDLVUGGEKPE-LJQANCHMSA-N 1 0 357.454 3.914 20 5 FHBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])[C@H]1n1cccn1 ZINC000516583916 945037228 /nfs/dbraw/zinc/03/72/28/945037228.db2.gz LVRJOPOARJVIGH-RNIPGJKVSA-N 1 0 370.453 3.566 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000443973373 945390374 /nfs/dbraw/zinc/39/03/74/945390374.db2.gz ZOVWATBJJMKYEE-UMVBOHGHSA-N 1 0 362.474 3.700 20 5 FHBDRO COc1cccc([C@@H](C)[NH+]2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000507687710 945469438 /nfs/dbraw/zinc/46/94/38/945469438.db2.gz JKXZXDNYIBQMGS-QGZVFWFLSA-N 1 0 369.465 3.525 20 5 FHBDRO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3C)cn2)n1 ZINC000162802300 945666303 /nfs/dbraw/zinc/66/63/03/945666303.db2.gz VQVOHBDQSJMLJS-INIZCTEOSA-N 1 0 365.437 3.952 20 5 FHBDRO COC(=O)CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCCCC1 ZINC000549527792 945685502 /nfs/dbraw/zinc/68/55/02/945685502.db2.gz VFPJKVGUAONBKG-UHFFFAOYSA-N 1 0 374.359 3.969 20 5 FHBDRO O=[N+]([O-])c1c(NCC2CC[NH+](Cc3ccccc3)CC2)nc2sccn21 ZINC000063255594 945689921 /nfs/dbraw/zinc/68/99/21/945689921.db2.gz IJRXACQEYHAQLD-UHFFFAOYSA-N 1 0 371.466 3.628 20 5 FHBDRO CC1(C)CCC[N@H+](CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000444016773 945727087 /nfs/dbraw/zinc/72/70/87/945727087.db2.gz NEBATJBCVRDYBZ-UHFFFAOYSA-N 1 0 374.510 3.930 20 5 FHBDRO Cc1cccc2c1CCN([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000729479573 945762350 /nfs/dbraw/zinc/76/23/50/945762350.db2.gz LMVCEUAWTUTPON-OAHLLOKOSA-N 1 0 353.422 3.597 20 5 FHBDRO CCC1([NH+]2CCCCC2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000893431069 945820244 /nfs/dbraw/zinc/82/02/44/945820244.db2.gz OUJCNXAWORHYIE-UHFFFAOYSA-N 1 0 363.433 3.605 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000281764814 945841162 /nfs/dbraw/zinc/84/11/62/945841162.db2.gz CWMIQWYQCHATHP-GFCCVEGCSA-N 1 0 361.833 3.560 20 5 FHBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000519898530 945848404 /nfs/dbraw/zinc/84/84/04/945848404.db2.gz ZAOWFSCBQKFQSI-HNNXBMFYSA-N 1 0 373.478 3.670 20 5 FHBDRO COc1cccc(C[C@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])c1 ZINC000108089834 945855054 /nfs/dbraw/zinc/85/50/54/945855054.db2.gz ARMMEUSXDMIGDG-QGZVFWFLSA-N 1 0 356.422 3.689 20 5 FHBDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000078148741 945896503 /nfs/dbraw/zinc/89/65/03/945896503.db2.gz USMMAAHNODVVOE-UHFFFAOYSA-N 1 0 353.422 3.640 20 5 FHBDRO C/C(=C\C(=O)NCCCC[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785279464 946039059 /nfs/dbraw/zinc/03/90/59/946039059.db2.gz CDXJDLWZANHIDD-BMRADRMJSA-N 1 0 359.470 3.626 20 5 FHBDRO CCOc1ccc(NC(=O)C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000444240760 946117190 /nfs/dbraw/zinc/11/71/90/946117190.db2.gz DGGAWPPBKJCSDC-KEYYUXOJSA-N 1 0 361.442 3.585 20 5 FHBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000444270390 946154625 /nfs/dbraw/zinc/15/46/25/946154625.db2.gz PGITYVPKEQYOFB-CQSZACIVSA-N 1 0 371.462 3.618 20 5 FHBDRO COc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1Br ZINC000052926181 946257999 /nfs/dbraw/zinc/25/79/99/946257999.db2.gz GEPCBZFUYZXZPC-UHFFFAOYSA-N 1 0 351.200 3.656 20 5 FHBDRO Cc1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000018898864 946264626 /nfs/dbraw/zinc/26/46/26/946264626.db2.gz VUMDTINFACLIOW-UHFFFAOYSA-N 1 0 362.433 3.774 20 5 FHBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000186095958 946467436 /nfs/dbraw/zinc/46/74/36/946467436.db2.gz KSOLKYXFHAXOIO-INIZCTEOSA-N 1 0 374.485 3.533 20 5 FHBDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000441356417 946474034 /nfs/dbraw/zinc/47/40/34/946474034.db2.gz PTYZXYVANJOBLA-HXUWFJFHSA-N 1 0 355.438 3.877 20 5 FHBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000475144006 946492757 /nfs/dbraw/zinc/49/27/57/946492757.db2.gz KLMBPXPAYGRXIC-CVEARBPZSA-N 1 0 363.458 3.736 20 5 FHBDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000441373793 946525438 /nfs/dbraw/zinc/52/54/38/946525438.db2.gz FKQDDZMRJSKOEA-QUCCMNQESA-N 1 0 372.465 3.596 20 5 FHBDRO COc1ccc([C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C2CCC2)cc1 ZINC000897080120 946584005 /nfs/dbraw/zinc/58/40/05/946584005.db2.gz QXTXUQRKLIXPKQ-LADRWXRNSA-N 1 0 356.426 3.634 20 5 FHBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000843767241 946688730 /nfs/dbraw/zinc/68/87/30/946688730.db2.gz CGJJPVWIBGLPIT-OKILXGFUSA-N 1 0 365.449 3.530 20 5 FHBDRO COc1cc(C[NH2+]C[C@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000475569919 946689514 /nfs/dbraw/zinc/68/95/14/946689514.db2.gz YHAVCDRZNMAZBQ-RYUDHWBXSA-N 1 0 358.385 3.773 20 5 FHBDRO Cc1cccnc1[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000112657506 946919947 /nfs/dbraw/zinc/91/99/47/946919947.db2.gz KIQZLLYREZLZBV-IBGZPJMESA-N 1 0 370.453 3.922 20 5 FHBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000186329464 946925793 /nfs/dbraw/zinc/92/57/93/946925793.db2.gz LHEFUTJYIFGTPL-MSOLQXFVSA-N 1 0 373.453 3.976 20 5 FHBDRO CCCN1Cc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3OC)c2C1 ZINC000475605365 946953326 /nfs/dbraw/zinc/95/33/26/946953326.db2.gz HIOTUGGVWFHHNH-UHFFFAOYSA-N 1 0 355.394 3.581 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000475376098 946986172 /nfs/dbraw/zinc/98/61/72/946986172.db2.gz RLZNLEHCLVWMFD-LTSKSLEPSA-N 1 0 352.434 3.678 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000475376097 946986249 /nfs/dbraw/zinc/98/62/49/946986249.db2.gz RLZNLEHCLVWMFD-JLXOPUERSA-N 1 0 352.434 3.678 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000074808352 947021796 /nfs/dbraw/zinc/02/17/96/947021796.db2.gz WLCKZBSDDJILPN-SFHVURJKSA-N 1 0 367.449 3.640 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCC[C@H]3Cc3ccccc3)nc2c1 ZINC000444685576 947087049 /nfs/dbraw/zinc/08/70/49/947087049.db2.gz SSLJPZPWZHQJIF-DOTOQJQBSA-N 1 0 350.422 3.972 20 5 FHBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-n2cccn2)cc1 ZINC000444686937 947088528 /nfs/dbraw/zinc/08/85/28/947088528.db2.gz UKXJSQNYSPIDLK-CYBMUJFWSA-N 1 0 362.393 3.508 20 5 FHBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCC[C@H]1C ZINC000444679480 947104444 /nfs/dbraw/zinc/10/44/44/947104444.db2.gz VBVGKNGKXOVCGB-PBHICJAKSA-N 1 0 363.458 3.833 20 5 FHBDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444681620 947105181 /nfs/dbraw/zinc/10/51/81/947105181.db2.gz VOPRYNICERFKFA-QGZVFWFLSA-N 1 0 356.401 3.967 20 5 FHBDRO Cc1ccc(C)c([C@H](C)[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000523438732 947268848 /nfs/dbraw/zinc/26/88/48/947268848.db2.gz NOURIPQRZBVXRG-WMZOPIPTSA-N 1 0 358.438 3.644 20 5 FHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000523531475 947340553 /nfs/dbraw/zinc/34/05/53/947340553.db2.gz DTFVYHXIJKAAFJ-MDZRGWNJSA-N 1 0 373.497 3.736 20 5 FHBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000181842485 947383610 /nfs/dbraw/zinc/38/36/10/947383610.db2.gz HQVVZFAPBYNWKA-MRXNPFEDSA-N 1 0 357.410 3.673 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000367718470 947399827 /nfs/dbraw/zinc/39/98/27/947399827.db2.gz HEBXEBODZBJCRG-FQEVSTJZSA-N 1 0 356.422 3.861 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000523862235 947672813 /nfs/dbraw/zinc/67/28/13/947672813.db2.gz MMHYPMCRDPELPF-KRWDZBQOSA-N 1 0 373.428 3.891 20 5 FHBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000015164201 947794120 /nfs/dbraw/zinc/79/41/20/947794120.db2.gz AQRVMMRBEBMYSX-KRWDZBQOSA-N 1 0 353.422 3.722 20 5 FHBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000473986673 947893417 /nfs/dbraw/zinc/89/34/17/947893417.db2.gz KONZBWOFOQREMD-HNNXBMFYSA-N 1 0 372.421 3.614 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000094103351 947911325 /nfs/dbraw/zinc/91/13/25/947911325.db2.gz CPASNDXWTQZGJB-UHFFFAOYSA-N 1 0 355.438 3.876 20 5 FHBDRO CC(=O)Nc1ccc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000165594396 948013368 /nfs/dbraw/zinc/01/33/68/948013368.db2.gz PPSFTZRHTNNJDW-HXUWFJFHSA-N 1 0 367.449 3.707 20 5 FHBDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000236797703 948042134 /nfs/dbraw/zinc/04/21/34/948042134.db2.gz DUZGXFJMAZQSHF-NVXWUHKLSA-N 1 0 363.458 3.768 20 5 FHBDRO C[NH+](C)Cc1ccc(CNc2ccnc3c2cccc3[N+](=O)[O-])cc1F ZINC000432325787 948062140 /nfs/dbraw/zinc/06/21/40/948062140.db2.gz MLAOFZNUOCGLLU-UHFFFAOYSA-N 1 0 354.385 3.956 20 5 FHBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC000136921392 948107061 /nfs/dbraw/zinc/10/70/61/948107061.db2.gz PDFIAFZVCVSGKN-ZBEGNZNMSA-N 1 0 370.327 3.878 20 5 FHBDRO C[NH+](C)[C@H](CNc1ccnc2c1cccc2[N+](=O)[O-])c1cccc(F)c1 ZINC000432332394 948119127 /nfs/dbraw/zinc/11/91/27/948119127.db2.gz XKNPXECQBXIEDI-GOSISDBHSA-N 1 0 354.385 3.997 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000091700143 948137143 /nfs/dbraw/zinc/13/71/43/948137143.db2.gz DOZYOBJZXXMJCN-UHFFFAOYSA-N 1 0 361.486 3.714 20 5 FHBDRO CN1CC[C@@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000585717147 948231879 /nfs/dbraw/zinc/23/18/79/948231879.db2.gz VSUBQHGCADMYKY-AEFFLSMTSA-N 1 0 365.355 3.547 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCCC3)C2)nc1-c1ccccc1 ZINC000090094487 948518009 /nfs/dbraw/zinc/51/80/09/948518009.db2.gz XKPSOQGJLMUTSA-MRXNPFEDSA-N 1 0 352.438 3.579 20 5 FHBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c([N+](=O)[O-])c1 ZINC000512153761 948568767 /nfs/dbraw/zinc/56/87/67/948568767.db2.gz KWTHOSWWTDBIGM-FQEVSTJZSA-N 1 0 373.453 3.754 20 5 FHBDRO CC[N@@H+]1CC[C@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000236826613 948617141 /nfs/dbraw/zinc/61/71/41/948617141.db2.gz KGCUDPHYHMIXKX-CYBMUJFWSA-N 1 0 363.845 3.940 20 5 FHBDRO CC1(C)C[C@H]([NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000279209411 948619025 /nfs/dbraw/zinc/61/90/25/948619025.db2.gz XZIKERXGXWFGTM-IXDGSTSKSA-N 1 0 362.495 3.962 20 5 FHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000550433722 948644283 /nfs/dbraw/zinc/64/42/83/948644283.db2.gz SHVIINPURVACGM-IBGZPJMESA-N 1 0 350.459 3.613 20 5 FHBDRO CC(C)[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000106163075 206013444 /nfs/dbraw/zinc/01/34/44/206013444.db2.gz VZJZDAZZJFBLNS-KRWDZBQOSA-N 1 0 367.877 3.735 20 5 FHBDRO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000109869032 206065185 /nfs/dbraw/zinc/06/51/85/206065185.db2.gz QAUGERBXIOWEIT-MRXNPFEDSA-N 1 0 355.438 3.877 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3ccccc3)CC2)c2ncccc12 ZINC000029871596 132374284 /nfs/dbraw/zinc/37/42/84/132374284.db2.gz UIYDIBOIMHSZRZ-UHFFFAOYSA-N 1 0 362.433 3.508 20 5 FHBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000290932482 567823736 /nfs/dbraw/zinc/82/37/36/567823736.db2.gz SFTGZQZLMZNXBZ-UHFFFAOYSA-N 1 0 373.265 3.536 20 5 FHBDRO Cn1cc(-c2ccc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])s2)cn1 ZINC000517911423 567909610 /nfs/dbraw/zinc/90/96/10/567909610.db2.gz WWGKFWSYJHTVAH-UHFFFAOYSA-N 1 0 356.451 3.731 20 5 FHBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000568317281 568023922 /nfs/dbraw/zinc/02/39/22/568023922.db2.gz NBNSBGOAOQOYMC-CQSZACIVSA-N 1 0 371.412 3.820 20 5 FHBDRO CCSCC[C@H](C)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000072900818 568056811 /nfs/dbraw/zinc/05/68/11/568056811.db2.gz DPFQDRCEHSANOB-ZDUSSCGKSA-N 1 0 353.488 3.695 20 5 FHBDRO CCSCC[C@@H](C)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072901609 568056925 /nfs/dbraw/zinc/05/69/25/568056925.db2.gz OAMGYWZMMPZEII-GFCCVEGCSA-N 1 0 350.444 3.608 20 5 FHBDRO COc1cc(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)ccc1[N+](=O)[O-] ZINC000481698413 568092448 /nfs/dbraw/zinc/09/24/48/568092448.db2.gz YASCKWFPYAUOQS-HXUWFJFHSA-N 1 0 354.406 3.625 20 5 FHBDRO Cc1c([C@@H](C)[NH2+]CCc2ccn(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000482030486 568232875 /nfs/dbraw/zinc/23/28/75/568232875.db2.gz GBSDKKDBMVHOIK-MRXNPFEDSA-N 1 0 350.422 3.982 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000541931845 568251762 /nfs/dbraw/zinc/25/17/62/568251762.db2.gz CSZAXYFAGQTOPU-KRWDZBQOSA-N 1 0 354.454 3.707 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000568921883 568252502 /nfs/dbraw/zinc/25/25/02/568252502.db2.gz ORSRYEYAVSFUSW-GDBMZVCRSA-N 1 0 374.485 3.932 20 5 FHBDRO C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000568982537 568260878 /nfs/dbraw/zinc/26/08/78/568260878.db2.gz GAABHLNRHKIFIJ-DZGCQCFKSA-N 1 0 371.462 3.555 20 5 FHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC2(CCC2)[C@H]1c1ccccc1 ZINC000453031504 568263076 /nfs/dbraw/zinc/26/30/76/568263076.db2.gz YWAUTTYYEWLCQW-FXAWDEMLSA-N 1 0 368.433 3.562 20 5 FHBDRO CC(C)(C)c1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000150844826 568263786 /nfs/dbraw/zinc/26/37/86/568263786.db2.gz QYKVNTIOTVOLET-KRWDZBQOSA-N 1 0 373.497 3.983 20 5 FHBDRO COc1cccc2c1CC[C@@H]2[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569647372 568411280 /nfs/dbraw/zinc/41/12/80/568411280.db2.gz MOWLQYBZMROGCF-SFHVURJKSA-N 1 0 351.406 3.904 20 5 FHBDRO CC(C)Oc1ccc([C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000569735413 568414918 /nfs/dbraw/zinc/41/49/18/568414918.db2.gz XPNHLRDSDVTUDO-FQEVSTJZSA-N 1 0 357.454 3.775 20 5 FHBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000569741554 568417200 /nfs/dbraw/zinc/41/72/00/568417200.db2.gz PSLXFCPSTNLPGG-HOTGVXAUSA-N 1 0 355.438 3.913 20 5 FHBDRO COc1ncccc1CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000569771871 568422871 /nfs/dbraw/zinc/42/28/71/568422871.db2.gz DMAYMILCWCSAHD-WMZOPIPTSA-N 1 0 355.438 3.542 20 5 FHBDRO [NH3+]CCN(Cc1ccc(Cl)c2cccnc12)c1ccccc1[N+](=O)[O-] ZINC000569888833 568433844 /nfs/dbraw/zinc/43/38/44/568433844.db2.gz LVGOHIPBFNWVKD-UHFFFAOYSA-N 1 0 356.813 3.762 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@H](COC(F)F)C3)o2)c1 ZINC000570128342 568453004 /nfs/dbraw/zinc/45/30/04/568453004.db2.gz FVAVFJRLWVRBCJ-LBPRGKRZSA-N 1 0 352.337 3.916 20 5 FHBDRO Cc1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c(-c2cnn(C)c2)c1 ZINC000570297162 568473618 /nfs/dbraw/zinc/47/36/18/568473618.db2.gz RQWYTNOZABEQSD-UHFFFAOYSA-N 1 0 350.422 3.636 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000570470865 568482712 /nfs/dbraw/zinc/48/27/12/568482712.db2.gz OWXIASUAULSRBU-GOEBONIOSA-N 1 0 372.421 3.874 20 5 FHBDRO CCC[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000821020708 607014514 /nfs/dbraw/zinc/01/45/14/607014514.db2.gz GUAOPJGPFNGVFG-SCLBCKFNSA-N 1 0 366.425 3.967 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164621412 719056561 /nfs/dbraw/zinc/05/65/61/719056561.db2.gz JCYADDNBEWNBEU-QAPCUYQASA-N 1 0 372.856 3.744 20 5 FHBDRO Cc1c(C)c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC001164621040 719083008 /nfs/dbraw/zinc/08/30/08/719083008.db2.gz GLTZIUXGEJYSQZ-UYAOXDASSA-N 1 0 366.465 3.707 20 5 FHBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165046289 721967879 /nfs/dbraw/zinc/96/78/79/721967879.db2.gz CRXNQMJKHDNKCV-NSHDSACASA-N 1 0 374.272 3.536 20 5 FHBDRO O=[N+]([O-])c1cccc2ccc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nc21 ZINC001165047192 721969352 /nfs/dbraw/zinc/96/93/52/721969352.db2.gz JFTODXKBRDKWIE-QGZVFWFLSA-N 1 0 354.454 3.988 20 5 FHBDRO CC(C)Oc1nc(N2CCCC[C@@H]2CC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001165049130 721976682 /nfs/dbraw/zinc/97/66/82/721976682.db2.gz NRLHNWKVNFFKNO-MRXNPFEDSA-N 1 0 362.474 3.622 20 5 FHBDRO c1ccc(CC[NH+]2CCN(c3ccc4ccc5cccnc5c4n3)CC2)nc1 ZINC001165053239 722010532 /nfs/dbraw/zinc/01/05/32/722010532.db2.gz CKDBTJADCQRAGK-UHFFFAOYSA-N 1 0 369.472 3.543 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000178728471 936326505 /nfs/dbraw/zinc/32/65/05/936326505.db2.gz YCFLUCAMQBYGFK-CYBMUJFWSA-N 1 0 360.410 3.780 20 5 FHBDRO COc1ccccc1N1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000579733124 927231641 /nfs/dbraw/zinc/23/16/41/927231641.db2.gz FMXZUQWQKISRNB-GOSISDBHSA-N 1 0 367.449 3.849 20 5 FHBDRO CC[C@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000153936643 927574157 /nfs/dbraw/zinc/57/41/57/927574157.db2.gz CRDSXNAJGRSEKI-FQEVSTJZSA-N 1 0 367.449 3.958 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]Cc1cnn2ccccc12 ZINC000577847052 927854788 /nfs/dbraw/zinc/85/47/88/927854788.db2.gz PQOJSVAKKZLLSY-QAPCUYQASA-N 1 0 350.422 3.744 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000430202820 927986017 /nfs/dbraw/zinc/98/60/17/927986017.db2.gz NIRYCUGJZCVNCK-CQSZACIVSA-N 1 0 352.394 3.640 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000430209131 928091014 /nfs/dbraw/zinc/09/10/14/928091014.db2.gz XASVUWOPBIRQPC-KRWDZBQOSA-N 1 0 366.421 3.618 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000430215155 928202176 /nfs/dbraw/zinc/20/21/76/928202176.db2.gz BYMOGURTPOOBEB-KRWDZBQOSA-N 1 0 361.486 3.691 20 5 FHBDRO C[C@@H]1C[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])s2)C[N@@H+]1Cc1ccccc1 ZINC000510097868 928231887 /nfs/dbraw/zinc/23/18/87/928231887.db2.gz IQDNTKPJRIILMN-GDBMZVCRSA-N 1 0 373.478 3.687 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1CN(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000430226032 928304042 /nfs/dbraw/zinc/30/40/42/928304042.db2.gz NSNOYMOYNSXVRG-LJQANCHMSA-N 1 0 374.412 3.924 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1CN(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000430226031 928304296 /nfs/dbraw/zinc/30/42/96/928304296.db2.gz NSNOYMOYNSXVRG-IBGZPJMESA-N 1 0 374.412 3.924 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000430232316 928350280 /nfs/dbraw/zinc/35/02/80/928350280.db2.gz MBCKHMSVGQEDIY-AEFFLSMTSA-N 1 0 362.813 3.877 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000430233340 928358010 /nfs/dbraw/zinc/35/80/10/928358010.db2.gz PXUAALYPJGTKPX-UHFFFAOYSA-N 1 0 370.453 3.516 20 5 FHBDRO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000248170126 937281348 /nfs/dbraw/zinc/28/13/48/937281348.db2.gz UPEHRAHVRLIMRY-SCTDSRPQSA-N 1 0 363.502 3.691 20 5 FHBDRO O=[N+]([O-])c1cccc2nc(-n3c4ccc(F)cc4c4c3CC[NH2+]C4)ccc21 ZINC001167087216 928968621 /nfs/dbraw/zinc/96/86/21/928968621.db2.gz OAFDIDDROCDTBL-UHFFFAOYSA-N 1 0 362.364 3.872 20 5 FHBDRO C[N@H+](CCC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000547736027 929115245 /nfs/dbraw/zinc/11/52/45/929115245.db2.gz GXFCHRDRUPEJPB-UHFFFAOYSA-N 1 0 367.877 3.562 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000610238821 929143247 /nfs/dbraw/zinc/14/32/47/929143247.db2.gz IUPKYLRHLUOCMT-GOSISDBHSA-N 1 0 367.449 3.545 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000120640890 929164046 /nfs/dbraw/zinc/16/40/46/929164046.db2.gz FQFWTOWYLIEUMQ-LAUBAEHRSA-N 1 0 369.465 3.627 20 5 FHBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000278191730 937328752 /nfs/dbraw/zinc/32/87/52/937328752.db2.gz OSKWMQNIBIIYNN-GJZGRUSLSA-N 1 0 363.461 3.696 20 5 FHBDRO Cc1ncc(CN2CC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3C)[C@@H](C)C2)s1 ZINC000359971857 929560355 /nfs/dbraw/zinc/56/03/55/929560355.db2.gz DCZLWNWPSJPBMX-IFXJQAMLSA-N 1 0 374.510 3.668 20 5 FHBDRO CC[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000023677911 929693016 /nfs/dbraw/zinc/69/30/16/929693016.db2.gz LGHXCVDRPYCYGQ-FUHWJXTLSA-N 1 0 364.829 3.729 20 5 FHBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000278207403 937357301 /nfs/dbraw/zinc/35/73/01/937357301.db2.gz QQSKAQXPYQAKHU-HNNXBMFYSA-N 1 0 363.461 3.507 20 5 FHBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000175825661 929769383 /nfs/dbraw/zinc/76/93/83/929769383.db2.gz INAHFFSOZQHQBB-YOEHRIQHSA-N 1 0 362.451 3.623 20 5 FHBDRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000127133564 929784162 /nfs/dbraw/zinc/78/41/62/929784162.db2.gz GDGRIAQDNBQUPH-YERXGYGTSA-N 1 0 363.421 3.882 20 5 FHBDRO CC[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176689063 937363376 /nfs/dbraw/zinc/36/33/76/937363376.db2.gz PYVGLTHIAFKLRY-LJQANCHMSA-N 1 0 374.485 3.563 20 5 FHBDRO Cc1cc(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000471471643 929835548 /nfs/dbraw/zinc/83/55/48/929835548.db2.gz OPRBZHZJFADREM-MRXNPFEDSA-N 1 0 355.438 3.544 20 5 FHBDRO CCOc1cc(C[N@@H+]2CCCc3cc(OC)ccc3C2)ccc1[N+](=O)[O-] ZINC001167326556 929855838 /nfs/dbraw/zinc/85/58/38/929855838.db2.gz MTMYGZHHLOFSEB-UHFFFAOYSA-N 1 0 356.422 3.951 20 5 FHBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275733678 930069452 /nfs/dbraw/zinc/06/94/52/930069452.db2.gz YCPSTSVBVAMPGM-HZPDHXFCSA-N 1 0 363.461 3.696 20 5 FHBDRO Cc1c(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000052314986 937389040 /nfs/dbraw/zinc/38/90/40/937389040.db2.gz WEXZUPQAEISUCY-KRWDZBQOSA-N 1 0 353.422 3.754 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000580109763 930253119 /nfs/dbraw/zinc/25/31/19/930253119.db2.gz PDTCLKOVQQFNEQ-UHFFFAOYSA-N 1 0 355.438 3.988 20 5 FHBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000610390100 930302138 /nfs/dbraw/zinc/30/21/38/930302138.db2.gz GNVWJDCVEADUAQ-QGZVFWFLSA-N 1 0 358.394 3.525 20 5 FHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000572855684 930347314 /nfs/dbraw/zinc/34/73/14/930347314.db2.gz IXVJOBMKUNKMLQ-IBGZPJMESA-N 1 0 352.434 3.920 20 5 FHBDRO [NH3+]CC1(N(Cc2ccccc2)c2ncnc3cc4ccccc4cc32)COC1 ZINC001167368173 930366494 /nfs/dbraw/zinc/36/64/94/930366494.db2.gz LXISEUGXSIZTSU-UHFFFAOYSA-N 1 0 370.456 3.517 20 5 FHBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cc(Br)cs2)cc1 ZINC000070978712 930460527 /nfs/dbraw/zinc/46/05/27/930460527.db2.gz JGOOXEJYXORCHT-UHFFFAOYSA-N 1 0 357.229 3.587 20 5 FHBDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000610420529 930494908 /nfs/dbraw/zinc/49/49/08/930494908.db2.gz KMPZCVOTJKVTAK-NUTKFTJISA-N 1 0 368.355 3.780 20 5 FHBDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000247252008 930512506 /nfs/dbraw/zinc/51/25/06/930512506.db2.gz DXZTXOWXLBZFBB-DYVFJYSZSA-N 1 0 374.466 3.861 20 5 FHBDRO COc1c(C)cnc(CN(C)C(=O)c2cccc(Cl)c2[N+](=O)[O-])c1C ZINC000175940097 930527946 /nfs/dbraw/zinc/52/79/46/930527946.db2.gz VLCNJNXHRMGQCE-UHFFFAOYSA-N 1 0 363.801 3.541 20 5 FHBDRO CC1CCN(c2ccc(-c3nc(C4([NH3+])CCCC4)no3)cc2[N+](=O)[O-])CC1 ZINC000261766862 930767477 /nfs/dbraw/zinc/76/74/77/930767477.db2.gz MVYDEKONUILIIQ-UHFFFAOYSA-N 1 0 371.441 3.609 20 5 FHBDRO Cc1cccc(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000610445940 930793331 /nfs/dbraw/zinc/79/33/31/930793331.db2.gz KXNHMYBRIHIALS-KRWDZBQOSA-N 1 0 367.449 3.640 20 5 FHBDRO C[C@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000580758361 931114422 /nfs/dbraw/zinc/11/44/22/931114422.db2.gz YLYOTYULRDSNNO-DJJJIMSYSA-N 1 0 353.422 3.886 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001167443627 931512829 /nfs/dbraw/zinc/51/28/29/931512829.db2.gz YNHMDFKRILZTSX-QGZVFWFLSA-N 1 0 369.465 3.700 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCCO[C@@H](c2ccccc2)C1 ZINC000610476740 931558421 /nfs/dbraw/zinc/55/84/21/931558421.db2.gz ZIUMYVSWFWZOQJ-HXUWFJFHSA-N 1 0 356.422 3.957 20 5 FHBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000477045907 931739706 /nfs/dbraw/zinc/73/97/06/931739706.db2.gz FZCARQMPEVTKBD-LIRRHRJNSA-N 1 0 372.425 3.598 20 5 FHBDRO C[C@H]([NH2+]CCCC(=O)N(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000177988231 931939389 /nfs/dbraw/zinc/93/93/89/931939389.db2.gz QJBRVESPCDCCOX-ZDUSSCGKSA-N 1 0 361.467 3.842 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(CN3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000177993484 931988531 /nfs/dbraw/zinc/98/85/31/931988531.db2.gz LBNRFXDUYKXYQU-INIZCTEOSA-N 1 0 367.449 3.876 20 5 FHBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000156243268 932184274 /nfs/dbraw/zinc/18/42/74/932184274.db2.gz YCLYLPLDDXJNQO-GJZGRUSLSA-N 1 0 369.421 3.587 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCc4nc[nH]c4C3)s2)cc1 ZINC000581517917 932195839 /nfs/dbraw/zinc/19/58/39/932195839.db2.gz CWMHRIJLWKCBMD-CYBMUJFWSA-N 1 0 354.435 3.694 20 5 FHBDRO COc1cc(C[NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)c([N+](=O)[O-])cc1O ZINC000610511552 932280340 /nfs/dbraw/zinc/28/03/40/932280340.db2.gz ANEFMTBRLXUIOY-PWSUYJOCSA-N 1 0 362.348 3.767 20 5 FHBDRO CCC[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000126643853 932309381 /nfs/dbraw/zinc/30/93/81/932309381.db2.gz ZJURLDWAJMYJRM-KRWDZBQOSA-N 1 0 357.458 3.586 20 5 FHBDRO CC(C)[NH+](CCS[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000160976697 932356502 /nfs/dbraw/zinc/35/65/02/932356502.db2.gz YHHKDJLDZHREGE-CQSZACIVSA-N 1 0 353.488 3.774 20 5 FHBDRO CCC[C@@H]([NH2+]CCc1cccc(C(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000157857818 932413601 /nfs/dbraw/zinc/41/36/01/932413601.db2.gz OINOBUBWOYBSCR-LJQANCHMSA-N 1 0 355.438 3.628 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000477286949 932452250 /nfs/dbraw/zinc/45/22/50/932452250.db2.gz LUBLKKVNIQIQKS-HXUWFJFHSA-N 1 0 367.449 3.544 20 5 FHBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](c2c(Cl)cccc2Cl)C2CC2)n1 ZINC000581695718 932513440 /nfs/dbraw/zinc/51/34/40/932513440.db2.gz YVVRVPOZFRSGFR-OAHLLOKOSA-N 1 0 355.225 3.839 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001125535151 932686706 /nfs/dbraw/zinc/68/67/06/932686706.db2.gz QTEFPXVESAQGLR-UHFFFAOYSA-N 1 0 373.497 3.858 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000178173864 932755923 /nfs/dbraw/zinc/75/59/23/932755923.db2.gz VOYIPHFMQVKEDU-HOTGVXAUSA-N 1 0 370.453 3.520 20 5 FHBDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000134661744 932837337 /nfs/dbraw/zinc/83/73/37/932837337.db2.gz HOIXBUXLJMBWCL-GDBMZVCRSA-N 1 0 363.458 3.515 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)C1CC1 ZINC000178204297 932873436 /nfs/dbraw/zinc/87/34/36/932873436.db2.gz IJJNEDLVNVRKNK-SFHVURJKSA-N 1 0 368.433 3.519 20 5 FHBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000247417991 932955572 /nfs/dbraw/zinc/95/55/72/932955572.db2.gz NSYJPQLMDXVSIR-NHYWBVRUSA-N 1 0 365.480 3.531 20 5 FHBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000588444423 933100846 /nfs/dbraw/zinc/10/08/46/933100846.db2.gz AQGSKBADWOZUGL-DXFLKOCDSA-N 1 0 359.470 3.626 20 5 FHBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000588444766 933103238 /nfs/dbraw/zinc/10/32/38/933103238.db2.gz UTBGAZCPUKKBCG-LUQQZNFBSA-N 1 0 371.412 3.556 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1 ZINC000510542677 933206576 /nfs/dbraw/zinc/20/65/76/933206576.db2.gz BFWLQKXAEGDLKH-DNVCBOLYSA-N 1 0 355.438 3.633 20 5 FHBDRO COc1cccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1OC ZINC000165944289 933413031 /nfs/dbraw/zinc/41/30/31/933413031.db2.gz PPCHKRYKZZMAPB-QGZVFWFLSA-N 1 0 356.422 3.723 20 5 FHBDRO O=[N+]([O-])c1ccc2oc(C[N@H+](CCc3ccccc3)[C@@H]3CCOC3)nc2c1 ZINC000610619444 933547998 /nfs/dbraw/zinc/54/79/98/933547998.db2.gz QILOKRRVYFAVFE-QGZVFWFLSA-N 1 0 367.405 3.570 20 5 FHBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000548488326 934160661 /nfs/dbraw/zinc/16/06/61/934160661.db2.gz NOXHDQUZOSTBOX-GDBMZVCRSA-N 1 0 363.458 3.881 20 5 FHBDRO CCOc1cc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000276972918 934177575 /nfs/dbraw/zinc/17/75/75/934177575.db2.gz XHUHXUDPQISSBW-ZJWNCGCPSA-N 1 0 362.451 3.582 20 5 FHBDRO Cc1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c(C[NH+](C)C)c1 ZINC000535694308 934271035 /nfs/dbraw/zinc/27/10/35/934271035.db2.gz ZBGDJTDMCRYBME-UHFFFAOYSA-N 1 0 352.394 3.698 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)COc1c(C)cccc1C ZINC000610804506 934439825 /nfs/dbraw/zinc/43/98/25/934439825.db2.gz TUDIZHXYQNGPPG-FUHWJXTLSA-N 1 0 358.438 3.611 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)COc1c(C)cccc1C ZINC000610804508 934439893 /nfs/dbraw/zinc/43/98/93/934439893.db2.gz TUDIZHXYQNGPPG-WMZOPIPTSA-N 1 0 358.438 3.611 20 5 FHBDRO COc1cccc2c1OC[C@@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C2 ZINC000610809831 934454813 /nfs/dbraw/zinc/45/48/13/934454813.db2.gz QXFJSTNBCHCFQI-ROUUACIJSA-N 1 0 368.433 3.518 20 5 FHBDRO Cc1noc(C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277108364 934492852 /nfs/dbraw/zinc/49/28/52/934492852.db2.gz MHXOBKNTOYXPQS-ACJLOTCBSA-N 1 0 352.394 3.921 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000610928936 934626394 /nfs/dbraw/zinc/62/63/94/934626394.db2.gz SMOPABSBWNKAPT-UHFFFAOYSA-N 1 0 352.866 3.736 20 5 FHBDRO CCc1ccc(C(=O)NC[C@H](c2ccco2)[NH+](CC)CC)cc1[N+](=O)[O-] ZINC000472007719 934820041 /nfs/dbraw/zinc/82/00/41/934820041.db2.gz FRRLNGMMLJQIDH-QGZVFWFLSA-N 1 0 359.426 3.563 20 5 FHBDRO COC(=O)CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000611255398 934833483 /nfs/dbraw/zinc/83/34/83/934833483.db2.gz VRMWYGQQWNLLAL-XFFZJAGNSA-N 1 0 354.406 3.673 20 5 FHBDRO Cn1cc(C[NH2+]C2CCC(F)(F)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538420100 934843850 /nfs/dbraw/zinc/84/38/50/934843850.db2.gz ICCOGBASCIGZGZ-UHFFFAOYSA-N 1 0 350.369 3.663 20 5 FHBDRO COc1cc(C[N@@H+]2CCC[C@H]2CSC)c([N+](=O)[O-])cc1OC(F)F ZINC000135466402 934878758 /nfs/dbraw/zinc/87/87/58/934878758.db2.gz HYQNFPHCGZTAKX-NSHDSACASA-N 1 0 362.398 3.532 20 5 FHBDRO Cc1noc(C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)c2ccccc2)n1 ZINC000277288429 934886490 /nfs/dbraw/zinc/88/64/90/934886490.db2.gz SUGAOGJRIYPKJU-KRWDZBQOSA-N 1 0 352.394 3.668 20 5 FHBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)c1cccc(F)c1 ZINC000024107874 934946965 /nfs/dbraw/zinc/94/69/65/934946965.db2.gz ZHMBVXSKKZDFJH-IBGZPJMESA-N 1 0 354.385 3.997 20 5 FHBDRO CC[N@H+](CCC1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)CC1CC1 ZINC000538915157 934948556 /nfs/dbraw/zinc/94/85/56/934948556.db2.gz DAKALWJBRSQVAJ-UHFFFAOYSA-N 1 0 365.499 3.631 20 5 FHBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[N@@H+]1CCCC[C@H]1C ZINC000437151493 945071457 /nfs/dbraw/zinc/07/14/57/945071457.db2.gz GOXASQLLTOWSQT-VXGBXAGGSA-N 1 0 373.375 3.606 20 5 FHBDRO CCc1cnccc1[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000539216849 935088773 /nfs/dbraw/zinc/08/87/73/935088773.db2.gz KNLXDQVDKOPTSM-KGLIPLIRSA-N 1 0 356.426 3.620 20 5 FHBDRO COc1cccc([C@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000539234569 935099244 /nfs/dbraw/zinc/09/92/44/935099244.db2.gz VHYCHFNRVSQZQC-AWEZNQCLSA-N 1 0 357.410 3.591 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]CC3(CO)CCCC3)o2)c([N+](=O)[O-])c1 ZINC000472136635 935135807 /nfs/dbraw/zinc/13/58/07/935135807.db2.gz OGEYRNUCQSECNM-UHFFFAOYSA-N 1 0 360.410 3.506 20 5 FHBDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000472143742 935182114 /nfs/dbraw/zinc/18/21/14/935182114.db2.gz HFUKUTQKOGSXJI-CWIOURORSA-N 1 0 355.438 3.779 20 5 FHBDRO C[N@H+](Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])o1)C1CCCCC1 ZINC000072012583 935198881 /nfs/dbraw/zinc/19/88/81/935198881.db2.gz VZZYERJBUHJJBI-UHFFFAOYSA-N 1 0 371.437 3.882 20 5 FHBDRO CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@H](C[NH3+])C1CC1 ZINC000582069640 935204845 /nfs/dbraw/zinc/20/48/45/935204845.db2.gz JYAQGIXOTYBPHX-GOSISDBHSA-N 1 0 371.462 3.555 20 5 FHBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000072045671 935244268 /nfs/dbraw/zinc/24/42/68/935244268.db2.gz FBYXVSDZSWOPMS-UHFFFAOYSA-N 1 0 369.465 3.887 20 5 FHBDRO CC1CC[NH+](Cc2cccc(CNC(=O)c3ccccc3[N+](=O)[O-])c2)CC1 ZINC000072067166 935263776 /nfs/dbraw/zinc/26/37/76/935263776.db2.gz YCTQHWYAZWCRCI-UHFFFAOYSA-N 1 0 367.449 3.757 20 5 FHBDRO Cc1cnc(C2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)s1 ZINC000277489362 935313104 /nfs/dbraw/zinc/31/31/04/935313104.db2.gz RAVWFWXZUMNHCL-UHFFFAOYSA-N 1 0 374.466 3.568 20 5 FHBDRO C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000119921278 935332778 /nfs/dbraw/zinc/33/27/78/935332778.db2.gz RLSQZICCPBASSZ-HZMBPMFUSA-N 1 0 369.849 3.511 20 5 FHBDRO CC(C)[NH2+]C1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000108367818 935342130 /nfs/dbraw/zinc/34/21/30/935342130.db2.gz XBZUNRLDPPDLRR-UHFFFAOYSA-N 1 0 350.462 3.909 20 5 FHBDRO CN(CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(F)cc1Cl ZINC000511090760 935391035 /nfs/dbraw/zinc/39/10/35/935391035.db2.gz NKVHFNUJDOSVOJ-UHFFFAOYSA-N 1 0 365.792 3.500 20 5 FHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)cc1-n1cncn1 ZINC000582253474 935450932 /nfs/dbraw/zinc/45/09/32/935450932.db2.gz GHUKMBPRXAJPNK-UHFFFAOYSA-N 1 0 371.828 3.503 20 5 FHBDRO Cn1cc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000582273239 935477915 /nfs/dbraw/zinc/47/79/15/935477915.db2.gz GTFQFAFUGCEXFZ-LJQANCHMSA-N 1 0 352.438 3.760 20 5 FHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2nc(-c3ccncc3)cs2)c(F)c1 ZINC000478214943 935593518 /nfs/dbraw/zinc/59/35/18/935593518.db2.gz YUJZSDGAJWJQQY-UHFFFAOYSA-N 1 0 358.398 3.585 20 5 FHBDRO Cc1c(C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000507293691 945111079 /nfs/dbraw/zinc/11/10/79/945111079.db2.gz SVLCQBZOYLCRCN-UHFFFAOYSA-N 1 0 371.412 3.893 20 5 FHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)cc1-n1cncn1 ZINC000511127173 935721734 /nfs/dbraw/zinc/72/17/34/935721734.db2.gz SIJKRJLPEZZQIP-UHFFFAOYSA-N 1 0 371.828 3.503 20 5 FHBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)COc3cccc([N+](=O)[O-])c3)c2C1 ZINC000158361005 935754779 /nfs/dbraw/zinc/75/47/79/935754779.db2.gz LYVGUEMZNRXXNC-UHFFFAOYSA-N 1 0 369.421 3.584 20 5 FHBDRO Cc1cc(N2CCN(c3cccs3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302065966 935758986 /nfs/dbraw/zinc/75/89/86/935758986.db2.gz FBGMETJZDYUCPH-UHFFFAOYSA-N 1 0 354.435 3.840 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC([NH+]3CCCC3)CC2)o1 ZINC000127728477 935759143 /nfs/dbraw/zinc/75/91/43/935759143.db2.gz VBSNSCQKSYRKOY-UHFFFAOYSA-N 1 0 355.438 3.915 20 5 FHBDRO C[N@H+](CCCc1nc(-c2cccs2)no1)CCc1ccccc1[N+](=O)[O-] ZINC000511143221 935789291 /nfs/dbraw/zinc/78/92/91/935789291.db2.gz QDMZIPMUPXSROA-UHFFFAOYSA-N 1 0 372.450 3.813 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000127895762 935837189 /nfs/dbraw/zinc/83/71/89/935837189.db2.gz BDNIYKIFLKUDCB-UHFFFAOYSA-N 1 0 374.416 3.604 20 5 FHBDRO COc1ccc(-c2ccncc2)cc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000479422201 935838175 /nfs/dbraw/zinc/83/81/75/935838175.db2.gz KBZDWXZIGRCEHJ-UHFFFAOYSA-N 1 0 363.417 3.998 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000158564776 935839689 /nfs/dbraw/zinc/83/96/89/935839689.db2.gz XWHPRBNKLFFNGE-MRXNPFEDSA-N 1 0 362.474 3.701 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000562108724 935880019 /nfs/dbraw/zinc/88/00/19/935880019.db2.gz ARINCDRXDLICNM-UHFFFAOYSA-N 1 0 374.485 3.933 20 5 FHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000563419201 935884675 /nfs/dbraw/zinc/88/46/75/935884675.db2.gz UKGAEGRWNUAAQB-AWEZNQCLSA-N 1 0 351.328 3.828 20 5 FHBDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000548745073 935886505 /nfs/dbraw/zinc/88/65/05/935886505.db2.gz CEJXKWKLCNTGIT-UHFFFAOYSA-N 1 0 367.409 3.565 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000479868806 935909969 /nfs/dbraw/zinc/90/99/69/935909969.db2.gz UOSUBCIGOHOIEH-CQSZACIVSA-N 1 0 365.355 3.982 20 5 FHBDRO Cc1nc(CN2CCC(C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)CC2)oc1C ZINC000178655581 936087683 /nfs/dbraw/zinc/08/76/83/936087683.db2.gz AAUODVOYOVWCDH-OAHLLOKOSA-N 1 0 372.469 3.762 20 5 FHBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000121919889 936094545 /nfs/dbraw/zinc/09/45/45/936094545.db2.gz QMMILNRJTWTHNC-ICSRJNTNSA-N 1 0 365.433 3.660 20 5 FHBDRO CC[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000472262306 936140843 /nfs/dbraw/zinc/14/08/43/936140843.db2.gz URDGWTCBDNHDDW-KXBFYZLASA-N 1 0 367.449 3.709 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000178681703 936173474 /nfs/dbraw/zinc/17/34/74/936173474.db2.gz POAWLTMAKRLTRA-IXDOHACOSA-N 1 0 369.465 3.862 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2nc(CN[C@H](c3ccncc3)C3CC3)co2)cc1 ZINC000934695502 936185595 /nfs/dbraw/zinc/18/55/95/936185595.db2.gz ONTOQVPABZHPOC-SFHVURJKSA-N 1 0 350.378 3.886 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000178686933 936204056 /nfs/dbraw/zinc/20/40/56/936204056.db2.gz KEWGUOGNBVXSOS-RYUDHWBXSA-N 1 0 363.364 3.859 20 5 FHBDRO CC(C)C1CCC([NH+]2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000439986850 945155471 /nfs/dbraw/zinc/15/54/71/945155471.db2.gz JDUWCUNUFNVZFR-UHFFFAOYSA-N 1 0 365.499 3.629 20 5 FHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1c[nH]nc1-c1c(F)cccc1F ZINC000583661012 938344590 /nfs/dbraw/zinc/34/45/90/938344590.db2.gz WPTVHFHPZKDHCJ-UHFFFAOYSA-N 1 0 372.375 3.938 20 5 FHBDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000543853328 938386206 /nfs/dbraw/zinc/38/62/06/938386206.db2.gz NIMMXZSJMJTOJO-ZFWWWQNUSA-N 1 0 367.877 3.765 20 5 FHBDRO Cc1cc(F)cc(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000176804554 938541362 /nfs/dbraw/zinc/54/13/62/938541362.db2.gz GKDLMCUEKVSOCZ-CQSZACIVSA-N 1 0 373.428 3.902 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000584143116 938616095 /nfs/dbraw/zinc/61/60/95/938616095.db2.gz KJRIEHRGCGKKCU-OAHLLOKOSA-N 1 0 370.453 3.799 20 5 FHBDRO CC[NH+]1CCC(Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000018057052 945192462 /nfs/dbraw/zinc/19/24/62/945192462.db2.gz DQTRGODBPNISOC-UHFFFAOYSA-N 1 0 353.422 3.722 20 5 FHBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000584255390 938661607 /nfs/dbraw/zinc/66/16/07/938661607.db2.gz HIXDAGMXKCGRCS-UHFFFAOYSA-N 1 0 369.421 3.597 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000085637521 938836586 /nfs/dbraw/zinc/83/65/86/938836586.db2.gz NYBVLFJEBRVWTQ-UHFFFAOYSA-N 1 0 362.474 3.797 20 5 FHBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000278766447 938839724 /nfs/dbraw/zinc/83/97/24/938839724.db2.gz MYIRDAFADPBHDP-GFCCVEGCSA-N 1 0 359.348 3.506 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2sccc2[C@@H]1C ZINC000150260360 938963712 /nfs/dbraw/zinc/96/37/12/938963712.db2.gz WLNQJLIOLHFILN-ZDUSSCGKSA-N 1 0 359.451 3.913 20 5 FHBDRO Cc1cnc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c([N+](=O)[O-])c1 ZINC000480561238 938989620 /nfs/dbraw/zinc/98/96/20/938989620.db2.gz YVZROPMKRSXYBP-UHFFFAOYSA-N 1 0 358.364 3.515 20 5 FHBDRO COc1cc(CN[C@H](C[NH+]2CCCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000611935390 938993077 /nfs/dbraw/zinc/99/30/77/938993077.db2.gz WSNUEBSUFQDRGH-LJQANCHMSA-N 1 0 369.465 3.920 20 5 FHBDRO Cc1cc(NCCCCn2ccnc2)c(Br)cc1[N+](=O)[O-] ZINC000235875648 939013839 /nfs/dbraw/zinc/01/38/39/939013839.db2.gz XQMSVGGSHABZDF-UHFFFAOYSA-N 1 0 353.220 3.755 20 5 FHBDRO CSc1cccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000188079423 939017667 /nfs/dbraw/zinc/01/76/67/939017667.db2.gz UUNDXEAPDPIJQK-ZDUSSCGKSA-N 1 0 365.499 3.557 20 5 FHBDRO CSc1cccc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000188078215 939017718 /nfs/dbraw/zinc/01/77/18/939017718.db2.gz BEHBGUVCSQGGBQ-ACJLOTCBSA-N 1 0 365.499 3.557 20 5 FHBDRO C[NH+](C)CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000065746062 939021789 /nfs/dbraw/zinc/02/17/89/939021789.db2.gz PNEMTWKFTQXALM-UHFFFAOYSA-N 1 0 374.485 3.506 20 5 FHBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000507441080 945224342 /nfs/dbraw/zinc/22/43/42/945224342.db2.gz LRLULYQRZMKKKF-OKILXGFUSA-N 1 0 373.453 3.827 20 5 FHBDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000310053708 939113731 /nfs/dbraw/zinc/11/37/31/939113731.db2.gz RQJPVVXGOHHOLD-ZDUSSCGKSA-N 1 0 355.460 3.536 20 5 FHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c(F)c1 ZINC000612192008 939222768 /nfs/dbraw/zinc/22/27/68/939222768.db2.gz HZNKHKZVKMFEDF-UHFFFAOYSA-N 1 0 374.347 3.645 20 5 FHBDRO Cc1ccc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000518258587 945261879 /nfs/dbraw/zinc/26/18/79/945261879.db2.gz OAXKQEJFSKKGEA-DLBZAZTESA-N 1 0 358.463 3.904 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000364120298 939905800 /nfs/dbraw/zinc/90/58/00/939905800.db2.gz HTHSLHOBJZXBIL-SUMWQHHRSA-N 1 0 374.466 3.779 20 5 FHBDRO Cc1nc(CN2CCC(C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000364209893 939913827 /nfs/dbraw/zinc/91/38/27/939913827.db2.gz YCNTUWUWQRKXAC-CQSZACIVSA-N 1 0 374.510 3.923 20 5 FHBDRO COc1ccc([C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000179680780 939917341 /nfs/dbraw/zinc/91/73/41/939917341.db2.gz IFXOGSYDIVTUCN-FQEVSTJZSA-N 1 0 369.421 3.673 20 5 FHBDRO C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000179764972 939932943 /nfs/dbraw/zinc/93/29/43/939932943.db2.gz YTFUXKHNCGLOIM-GFCCVEGCSA-N 1 0 357.385 3.933 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000411155180 940004934 /nfs/dbraw/zinc/00/49/34/940004934.db2.gz NXRGDSLTWTWMGR-GOSISDBHSA-N 1 0 369.421 3.551 20 5 FHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000364822560 940006485 /nfs/dbraw/zinc/00/64/85/940006485.db2.gz XZNZMGJWPLOYET-WMLDXEAASA-N 1 0 373.478 3.639 20 5 FHBDRO CCS[C@H]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411298415 940024743 /nfs/dbraw/zinc/02/47/43/940024743.db2.gz NSHOFJIPVBXRGS-HOTGVXAUSA-N 1 0 351.472 3.529 20 5 FHBDRO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411615333 940073599 /nfs/dbraw/zinc/07/35/99/940073599.db2.gz HCWAFWAIOBIFFY-CYBMUJFWSA-N 1 0 359.348 3.586 20 5 FHBDRO CN(c1ccccc1)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065956027 940106865 /nfs/dbraw/zinc/10/68/65/940106865.db2.gz AIXWXXGOAFMBCM-UHFFFAOYSA-N 1 0 369.465 3.965 20 5 FHBDRO Cc1c(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000065964328 940121760 /nfs/dbraw/zinc/12/17/60/940121760.db2.gz JETWPHNQBKAABA-UHFFFAOYSA-N 1 0 359.470 3.564 20 5 FHBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCSC3(CCC3)CC2)cccc1[N+](=O)[O-] ZINC000411873249 940145549 /nfs/dbraw/zinc/14/55/49/940145549.db2.gz XRXSRIVOEUDMNG-AWEZNQCLSA-N 1 0 363.483 3.592 20 5 FHBDRO CC(C)CCSc1ccc(C(=O)NCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000612578579 940159249 /nfs/dbraw/zinc/15/92/49/940159249.db2.gz YEDFYCUYNGQFFY-UHFFFAOYSA-N 1 0 365.499 3.559 20 5 FHBDRO Cn1cc(C[NH+]2CCC(C(F)(F)F)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179962623 940169858 /nfs/dbraw/zinc/16/98/58/940169858.db2.gz QSSHEVTXAXQBIW-UHFFFAOYSA-N 1 0 368.359 3.770 20 5 FHBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000376020446 940200463 /nfs/dbraw/zinc/20/04/63/940200463.db2.gz GEJZQPJCAXXTKF-UHFFFAOYSA-N 1 0 359.451 3.556 20 5 FHBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000613180538 940480432 /nfs/dbraw/zinc/48/04/32/940480432.db2.gz NVJFOEKBLVCCDW-KRWDZBQOSA-N 1 0 370.453 3.536 20 5 FHBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000613389248 940656974 /nfs/dbraw/zinc/65/69/74/940656974.db2.gz FYKBXYIGNBBUBE-KUHUBIRLSA-N 1 0 367.405 3.504 20 5 FHBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cn1 ZINC000414157550 940692221 /nfs/dbraw/zinc/69/22/21/940692221.db2.gz WLMRNLCAODIUOD-LLVKDONJSA-N 1 0 369.343 3.738 20 5 FHBDRO CC[C@@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000414164678 940698658 /nfs/dbraw/zinc/69/86/58/940698658.db2.gz BCHITBUCVYFCJC-UKPHBRMFSA-N 1 0 362.451 3.970 20 5 FHBDRO C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N1CCc2sccc2C1 ZINC000519611474 945341412 /nfs/dbraw/zinc/34/14/12/945341412.db2.gz LIYCGZFEUPGCLL-GUYCJALGSA-N 1 0 357.479 3.680 20 5 FHBDRO CC[C@@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000414257060 940845185 /nfs/dbraw/zinc/84/51/85/940845185.db2.gz LLQRASMGDWJDAY-DOMZBBRYSA-N 1 0 370.375 3.986 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000414287862 940896886 /nfs/dbraw/zinc/89/68/86/940896886.db2.gz KSXZYGSQXYWELC-XKGZKEIXSA-N 1 0 372.440 3.811 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000414296602 940912803 /nfs/dbraw/zinc/91/28/03/940912803.db2.gz RSLUMDTUMIUVAR-BBRMVZONSA-N 1 0 362.401 3.559 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000414296990 940913373 /nfs/dbraw/zinc/91/33/73/940913373.db2.gz RSLUMDTUMIUVAR-CZUORRHYSA-N 1 0 362.401 3.559 20 5 FHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000507599571 945361006 /nfs/dbraw/zinc/36/10/06/945361006.db2.gz KEQHJNHRKBQJSG-XJKSGUPXSA-N 1 0 373.840 3.814 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1nnc(C2CC2)s1 ZINC000414321511 940961752 /nfs/dbraw/zinc/96/17/52/940961752.db2.gz FDEVSZVQKJRVFD-DZGCQCFKSA-N 1 0 358.467 3.825 20 5 FHBDRO CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186328599 940977737 /nfs/dbraw/zinc/97/77/37/940977737.db2.gz YQOAZGJTQMBPQG-LJQANCHMSA-N 1 0 367.449 3.640 20 5 FHBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000180402647 940999844 /nfs/dbraw/zinc/99/98/44/940999844.db2.gz CXSUHBHAPUYTML-QRWLVFNGSA-N 1 0 366.417 3.839 20 5 FHBDRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180431733 941013318 /nfs/dbraw/zinc/01/33/18/941013318.db2.gz LYYSRBZIYVFPNT-JTQLQIEISA-N 1 0 351.765 3.677 20 5 FHBDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000511507695 941033867 /nfs/dbraw/zinc/03/38/67/941033867.db2.gz QXOIJGQPDCJCQZ-XPAKDJPHSA-N 1 0 359.470 3.625 20 5 FHBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000176583735 941060292 /nfs/dbraw/zinc/06/02/92/941060292.db2.gz HMNCLZXOQFCYQK-GDBMZVCRSA-N 1 0 371.412 3.517 20 5 FHBDRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000180696092 941064758 /nfs/dbraw/zinc/06/47/58/941064758.db2.gz JYLZTSOPZNACQW-CQSZACIVSA-N 1 0 357.410 3.591 20 5 FHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000180720520 941068491 /nfs/dbraw/zinc/06/84/91/941068491.db2.gz BSRPUTYRGFEMPP-UHFFFAOYSA-N 1 0 365.499 3.698 20 5 FHBDRO O=[N+]([O-])c1c(NC2CC[NH+](Cc3cccnc3)CC2)ccc2ncccc21 ZINC000278805262 941069577 /nfs/dbraw/zinc/06/95/77/941069577.db2.gz YSUXYAHXSCPLGV-UHFFFAOYSA-N 1 0 363.421 3.615 20 5 FHBDRO C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000180737397 941070534 /nfs/dbraw/zinc/07/05/34/941070534.db2.gz ZVWARDDKWNBNFM-FPDPHYFHSA-N 1 0 351.450 3.899 20 5 FHBDRO C[C@@H]1C[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000176721155 941073724 /nfs/dbraw/zinc/07/37/24/941073724.db2.gz ZTPMHTJAFDLQCT-RHSMWYFYSA-N 1 0 371.412 3.517 20 5 FHBDRO CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2)ncn1 ZINC000180774333 941074904 /nfs/dbraw/zinc/07/49/04/941074904.db2.gz WZYTZEXYQLEDRA-MAUKXSAKSA-N 1 0 369.469 3.575 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+](Cc3ccccn3)C3CC3)o2)c1 ZINC000180857418 941085898 /nfs/dbraw/zinc/08/58/98/941085898.db2.gz MSLVPRLWOLUSBE-UHFFFAOYSA-N 1 0 364.405 3.852 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000452085041 941089076 /nfs/dbraw/zinc/08/90/76/941089076.db2.gz LOJHZGGBTHBKKY-ZIAGYGMSSA-N 1 0 357.410 3.590 20 5 FHBDRO COc1cc(C(=O)Nc2cc(C[NH+](C)C)ccc2C)cc([N+](=O)[O-])c1C ZINC000188946160 941132842 /nfs/dbraw/zinc/13/28/42/941132842.db2.gz SZHQWRJAWLITLZ-UHFFFAOYSA-N 1 0 357.410 3.534 20 5 FHBDRO CC(C)CCSc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000236602167 941218707 /nfs/dbraw/zinc/21/87/07/941218707.db2.gz XPSPPJPIYRGQIT-HIFRSBDPSA-N 1 0 365.499 3.685 20 5 FHBDRO CC[C@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000311310770 941224433 /nfs/dbraw/zinc/22/44/33/941224433.db2.gz VBSOCJBLSFLYLU-IRXDYDNUSA-N 1 0 363.458 3.939 20 5 FHBDRO Cc1c(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000311314906 941233733 /nfs/dbraw/zinc/23/37/33/941233733.db2.gz CEKAQEKKWFFHPB-MRXNPFEDSA-N 1 0 363.458 3.782 20 5 FHBDRO CC(C)c1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000189692607 941260116 /nfs/dbraw/zinc/26/01/16/941260116.db2.gz GQBIMBMBWPOGCJ-KRWDZBQOSA-N 1 0 359.470 3.809 20 5 FHBDRO C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181455647 941288285 /nfs/dbraw/zinc/28/82/85/941288285.db2.gz IYPMSRBLOHOCFS-QWHCGFSZSA-N 1 0 365.861 3.631 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCCO[C@@H](CF)C3)s2)cc1 ZINC000414479633 941330350 /nfs/dbraw/zinc/33/03/50/941330350.db2.gz SGJSNIHQMJBGKV-HNNXBMFYSA-N 1 0 350.415 3.884 20 5 FHBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)cc1[N+](=O)[O-] ZINC000414552498 941377876 /nfs/dbraw/zinc/37/78/76/941377876.db2.gz QICGTHPDWDGWRR-KRWDZBQOSA-N 1 0 359.470 3.695 20 5 FHBDRO Cc1c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000311833355 941392856 /nfs/dbraw/zinc/39/28/56/941392856.db2.gz MBFAPWVAIQSNPG-BBRMVZONSA-N 1 0 363.458 3.638 20 5 FHBDRO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000414656397 941428697 /nfs/dbraw/zinc/42/86/97/941428697.db2.gz FOVKQOFRIBGDDV-RDJZCZTQSA-N 1 0 354.454 3.532 20 5 FHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000549157846 941550898 /nfs/dbraw/zinc/55/08/98/941550898.db2.gz QKYWUQSNWJEHFF-OAQYLSRUSA-N 1 0 370.449 3.827 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cs2)c1 ZINC000415055778 941575784 /nfs/dbraw/zinc/57/57/84/941575784.db2.gz RJZSCDLREDRFHX-MAUKXSAKSA-N 1 0 372.494 3.682 20 5 FHBDRO CN(CCOc1ccc(Cl)cc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000023990798 941645383 /nfs/dbraw/zinc/64/53/83/941645383.db2.gz BQTYDBLBMOOLEM-UHFFFAOYSA-N 1 0 360.801 3.566 20 5 FHBDRO O=C(NCC[C@H]1CC[NH2+]C1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415187333 941659867 /nfs/dbraw/zinc/65/98/67/941659867.db2.gz DSBZEVZJNVHNBI-CQSZACIVSA-N 1 0 370.409 3.508 20 5 FHBDRO O=C(c1cc2ccccc2c2cccnc12)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000377342693 941661064 /nfs/dbraw/zinc/66/10/64/941661064.db2.gz BEULHZUMGLQVTJ-NRFANRHFSA-N 1 0 359.473 3.992 20 5 FHBDRO O=C(NCC[C@H]1CCC[NH2+]1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415193662 941661734 /nfs/dbraw/zinc/66/17/34/941661734.db2.gz MLBQNNQIPABVII-CQSZACIVSA-N 1 0 370.409 3.651 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000181546265 941670495 /nfs/dbraw/zinc/67/04/95/941670495.db2.gz LQLJWKWKJJXCKF-FQEVSTJZSA-N 1 0 367.449 3.843 20 5 FHBDRO CC(C)(C)OC(=O)N1CCC(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000695254141 941785806 /nfs/dbraw/zinc/78/58/06/941785806.db2.gz TXUXHTUBNQGDTL-UHFFFAOYSA-N 1 0 363.458 3.722 20 5 FHBDRO C[C@H]1C[C@@H](CC[NH2+]Cc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000513488481 941959760 /nfs/dbraw/zinc/95/97/60/941959760.db2.gz VTZATUYMNGZQGU-PKOBYXMFSA-N 1 0 353.466 3.985 20 5 FHBDRO C[C@@H]1C[C@H](CC[NH2+]Cc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000513488480 941959980 /nfs/dbraw/zinc/95/99/80/941959980.db2.gz VTZATUYMNGZQGU-MJGOQNOKSA-N 1 0 353.466 3.985 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000182720533 941961801 /nfs/dbraw/zinc/96/18/01/941961801.db2.gz PXGZTSPJTVGPAK-CVEARBPZSA-N 1 0 361.486 3.837 20 5 FHBDRO Cc1c(NC(=O)CC[NH2+][C@@H](Cc2ccccc2)C2CC2)cccc1[N+](=O)[O-] ZINC000181556985 941982939 /nfs/dbraw/zinc/98/29/39/941982939.db2.gz FWZZJFFNDJOXHV-IBGZPJMESA-N 1 0 367.449 3.843 20 5 FHBDRO CN(C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415707473 942011944 /nfs/dbraw/zinc/01/19/44/942011944.db2.gz WETRZSSODAEUOH-NNQSOWQGSA-N 1 0 360.458 3.639 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000415768087 942043232 /nfs/dbraw/zinc/04/32/32/942043232.db2.gz VELKKDZQLLEXIJ-KRWDZBQOSA-N 1 0 356.426 3.759 20 5 FHBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCN(Cc2ccncc2)CC1 ZINC000377926223 942071993 /nfs/dbraw/zinc/07/19/93/942071993.db2.gz WWEWUGJXGDISKK-GQCTYLIASA-N 1 0 366.465 3.599 20 5 FHBDRO C[C@]1(c2ccc(F)cc2)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000501868609 942089461 /nfs/dbraw/zinc/08/94/61/942089461.db2.gz CHGJZULRXZGKIY-FQEVSTJZSA-N 1 0 371.412 3.726 20 5 FHBDRO CC[NH2+]Cc1cccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000415907175 942134119 /nfs/dbraw/zinc/13/41/19/942134119.db2.gz AQLIVVRDDYBFDP-UHFFFAOYSA-N 1 0 368.437 3.901 20 5 FHBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000280659058 942225134 /nfs/dbraw/zinc/22/51/34/942225134.db2.gz TVRXOAPYGKUOQS-CQSZACIVSA-N 1 0 351.450 3.554 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000103266281 942239456 /nfs/dbraw/zinc/23/94/56/942239456.db2.gz PIWUYWLBSGDVHY-PBHICJAKSA-N 1 0 361.442 3.587 20 5 FHBDRO CC[C@@H]1CN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](CC)O1 ZINC000420945815 942269664 /nfs/dbraw/zinc/26/96/64/942269664.db2.gz BGKVEKFHFNBFKU-VBNZEHGJSA-N 1 0 360.414 3.595 20 5 FHBDRO CSc1cccc(C(=O)NCCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000188060454 942318043 /nfs/dbraw/zinc/31/80/43/942318043.db2.gz MYIBNHMORHIIBS-UHFFFAOYSA-N 1 0 365.499 3.559 20 5 FHBDRO COc1cc(C)c(C[C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000502285460 942334090 /nfs/dbraw/zinc/33/40/90/942334090.db2.gz UEKROGMSVQNZDA-OAHLLOKOSA-N 1 0 358.438 3.684 20 5 FHBDRO CCc1cc(N2CCC([NH2+][C@@H](CC)c3cccc([N+](=O)[O-])c3)CC2)ncn1 ZINC000159087446 942334270 /nfs/dbraw/zinc/33/42/70/942334270.db2.gz JCDGEQJSSQBVKL-IBGZPJMESA-N 1 0 369.469 3.657 20 5 FHBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC([N@@H+]3CCC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000366433648 942335332 /nfs/dbraw/zinc/33/53/32/942335332.db2.gz DDPGGPHHNYSJNM-HZPDHXFCSA-N 1 0 374.485 3.623 20 5 FHBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413568029 942361130 /nfs/dbraw/zinc/36/11/30/942361130.db2.gz CJMIBBQVQHLXNI-ZWKOTPCHSA-N 1 0 353.422 3.707 20 5 FHBDRO Cc1[nH+]c2cc(NCc3ccc(C)c([N+](=O)[O-])c3)ccc2n1[C@H](C)CO ZINC000419761508 942373145 /nfs/dbraw/zinc/37/31/45/942373145.db2.gz KGEPHCJMHLPRDL-CYBMUJFWSA-N 1 0 354.410 3.727 20 5 FHBDRO COc1ccc(-c2ccc(C[N@H+](CCO)C3CCCC3)o2)c([N+](=O)[O-])c1 ZINC000505284236 942443590 /nfs/dbraw/zinc/44/35/90/942443590.db2.gz UWEGPVPZAGNNLD-UHFFFAOYSA-N 1 0 360.410 3.600 20 5 FHBDRO COc1cc(C)c(C[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000502454301 942444128 /nfs/dbraw/zinc/44/41/28/942444128.db2.gz SEPQEUZALSHNGC-CQSZACIVSA-N 1 0 358.438 3.950 20 5 FHBDRO Cc1nn(C)c(NC[C@@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000513745091 942451191 /nfs/dbraw/zinc/45/11/91/942451191.db2.gz UOHCQLUYPZDSAY-WMLDXEAASA-N 1 0 359.474 3.814 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2ccccn2)CC1 ZINC000378263480 942478886 /nfs/dbraw/zinc/47/88/86/942478886.db2.gz ZAIHMSIPYHZHAR-UHFFFAOYSA-N 1 0 368.437 3.506 20 5 FHBDRO CC[C@H]1C[C@@]1([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000502525164 942498699 /nfs/dbraw/zinc/49/86/99/942498699.db2.gz UUYFJDUNFLDRQS-YWZLYKJASA-N 1 0 353.422 3.757 20 5 FHBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000412336328 942500975 /nfs/dbraw/zinc/50/09/75/942500975.db2.gz OUTZBJHDDDJGNL-VIBAHUMZSA-N 1 0 371.437 3.537 20 5 FHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c1 ZINC000452341591 942531868 /nfs/dbraw/zinc/53/18/68/942531868.db2.gz ISNUXFOCXQXPIP-AWEZNQCLSA-N 1 0 365.499 3.557 20 5 FHBDRO CSc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000501558519 942548069 /nfs/dbraw/zinc/54/80/69/942548069.db2.gz BYHQKQLWIFXBAZ-CYBMUJFWSA-N 1 0 359.451 3.914 20 5 FHBDRO CCOc1ccc(NC(=O)C[NH2+]C2(c3ccccc3)CCC2)c([N+](=O)[O-])c1 ZINC000104664994 942566632 /nfs/dbraw/zinc/56/66/32/942566632.db2.gz MEJSMAXMWHAZJH-UHFFFAOYSA-N 1 0 369.421 3.601 20 5 FHBDRO C[C@H](c1ccncc1)N1CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000893202470 942577075 /nfs/dbraw/zinc/57/70/75/942577075.db2.gz ISEJBBKSAUSEEE-CQSZACIVSA-N 1 0 374.872 3.958 20 5 FHBDRO C[C@@H](c1ccncc1)N1CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000893202467 942577120 /nfs/dbraw/zinc/57/71/20/942577120.db2.gz ISEJBBKSAUSEEE-AWEZNQCLSA-N 1 0 374.872 3.958 20 5 FHBDRO C[C@H](O)C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCCC1 ZINC000104684937 942590016 /nfs/dbraw/zinc/59/00/16/942590016.db2.gz UWCRKYZPOYFOAE-HNNXBMFYSA-N 1 0 373.453 3.808 20 5 FHBDRO COc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000104700304 942597266 /nfs/dbraw/zinc/59/72/66/942597266.db2.gz BQGLAIRVZBOIKQ-HXUWFJFHSA-N 1 0 369.421 3.673 20 5 FHBDRO CN(C(=O)C[NH2+][C@H](c1ccccc1)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000104698449 942597391 /nfs/dbraw/zinc/59/73/91/942597391.db2.gz SFKKUENSIWIOGG-HXUWFJFHSA-N 1 0 353.422 3.689 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000893208132 942609218 /nfs/dbraw/zinc/60/92/18/942609218.db2.gz FRYAUDOFALLSJK-CQSZACIVSA-N 1 0 356.875 3.783 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000421479091 942613377 /nfs/dbraw/zinc/61/33/77/942613377.db2.gz GBIKYJKBDUZSQZ-UHFFFAOYSA-N 1 0 359.470 3.739 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000421513723 942619625 /nfs/dbraw/zinc/61/96/25/942619625.db2.gz QINGJXPUDQUMPO-HZPDHXFCSA-N 1 0 359.470 3.594 20 5 FHBDRO Cc1ccc([C@@H](CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000513955006 942633565 /nfs/dbraw/zinc/63/35/65/942633565.db2.gz RTRKVGYYDGYRPJ-QGZVFWFLSA-N 1 0 372.425 3.763 20 5 FHBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCc3cccc(Cl)c3Cl)CC2)n1 ZINC000434501163 942726797 /nfs/dbraw/zinc/72/67/97/942726797.db2.gz GBRQZMCAACHTKA-UHFFFAOYSA-N 1 0 369.252 3.978 20 5 FHBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC2CC2)c([N+](=O)[O-])c1 ZINC000053183746 942743651 /nfs/dbraw/zinc/74/36/51/942743651.db2.gz BRQJFVMGNVIFAN-LJQANCHMSA-N 1 0 353.422 3.925 20 5 FHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421710393 942763914 /nfs/dbraw/zinc/76/39/14/942763914.db2.gz KITKEZZZVKZVSW-HNNXBMFYSA-N 1 0 365.499 3.509 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1Cc1cccc(F)c1 ZINC000434659143 942843696 /nfs/dbraw/zinc/84/36/96/942843696.db2.gz MPNAUUFGQVUWHC-KRWDZBQOSA-N 1 0 371.412 3.688 20 5 FHBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC000378528095 942863293 /nfs/dbraw/zinc/86/32/93/942863293.db2.gz HHRQUXNLGPVQJX-UHFFFAOYSA-N 1 0 371.824 3.907 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]CCCn3ccnc3C)o2)c([N+](=O)[O-])c1 ZINC000509989610 942884050 /nfs/dbraw/zinc/88/40/50/942884050.db2.gz GSKCBQDZHAZGNZ-UHFFFAOYSA-N 1 0 370.409 3.548 20 5 FHBDRO Cn1ccnc1[C@H]([NH2+]CC1CCC(F)(F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000503054012 942952083 /nfs/dbraw/zinc/95/20/83/942952083.db2.gz WQBZTGOZVYGSKR-MRXNPFEDSA-N 1 0 364.396 3.833 20 5 FHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cccc2[nH]ccc21 ZINC000503078721 942961877 /nfs/dbraw/zinc/96/18/77/942961877.db2.gz RXXNVRWSDXPNNR-CQSZACIVSA-N 1 0 366.421 3.626 20 5 FHBDRO Cc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000027603266 942979107 /nfs/dbraw/zinc/97/91/07/942979107.db2.gz GGUMYGOEYTWHBX-INIZCTEOSA-N 1 0 359.451 3.532 20 5 FHBDRO CC(C)[C@H]1CCC[N@@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000434831957 942990473 /nfs/dbraw/zinc/99/04/73/942990473.db2.gz PTHBFYCTMQFBBH-MRXNPFEDSA-N 1 0 374.466 3.777 20 5 FHBDRO COCC[N@H+](C)CC[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000505560900 943020671 /nfs/dbraw/zinc/02/06/71/943020671.db2.gz YQGPZRGTZHWNRB-GOSISDBHSA-N 1 0 361.417 3.855 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000434891420 943022155 /nfs/dbraw/zinc/02/21/55/943022155.db2.gz HRZYOCSGFYNSJP-QAPCUYQASA-N 1 0 353.422 3.720 20 5 FHBDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000434899526 943037466 /nfs/dbraw/zinc/03/74/66/943037466.db2.gz IJWZAHIHZXAQMA-DNVCBOLYSA-N 1 0 353.422 3.801 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000434906335 943042930 /nfs/dbraw/zinc/04/29/30/943042930.db2.gz UABCDNBGRRDXQY-MAUKXSAKSA-N 1 0 353.422 3.720 20 5 FHBDRO C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505574829 943062889 /nfs/dbraw/zinc/06/28/89/943062889.db2.gz LUULZZUTCKPPDD-BEFAXECRSA-N 1 0 369.465 3.680 20 5 FHBDRO C[NH2+][C@H]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000414656862 943119111 /nfs/dbraw/zinc/11/91/11/943119111.db2.gz NSFFUIWWKLWOLX-AWEZNQCLSA-N 1 0 361.829 3.834 20 5 FHBDRO CN(Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000414658346 943123608 /nfs/dbraw/zinc/12/36/08/943123608.db2.gz QNJJYIHCINBUNN-UHFFFAOYSA-N 1 0 354.454 3.547 20 5 FHBDRO CCC(CC)c1cc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])on1 ZINC000514600388 943139238 /nfs/dbraw/zinc/13/92/38/943139238.db2.gz WCXFWFRXZXETOF-UHFFFAOYSA-N 1 0 360.414 3.605 20 5 FHBDRO C[C@@H]1C[C@@]1([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000503368737 943143761 /nfs/dbraw/zinc/14/37/61/943143761.db2.gz NVMHDBRYOQQMED-YJYMSZOUSA-N 1 0 373.840 3.736 20 5 FHBDRO C[C@H](COCC(F)(F)F)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513787172 943158241 /nfs/dbraw/zinc/15/82/41/943158241.db2.gz USSDQYMYUPZEGJ-VNHYZAJKSA-N 1 0 360.376 3.863 20 5 FHBDRO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505607625 943165928 /nfs/dbraw/zinc/16/59/28/943165928.db2.gz MNBRATZENQBPSM-YJYMSZOUSA-N 1 0 367.405 3.762 20 5 FHBDRO COc1cccc([C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)N(C)C)c1 ZINC000133684012 943183306 /nfs/dbraw/zinc/18/33/06/943183306.db2.gz LYSSZAHYMMXHIY-FOIQADDNSA-N 1 0 357.454 3.865 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1OC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000760016910 943185144 /nfs/dbraw/zinc/18/51/44/943185144.db2.gz KDIVMSZGJWCPCJ-QGZVFWFLSA-N 1 0 354.406 3.721 20 5 FHBDRO C[N@@H+]1CCCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000435231645 943268671 /nfs/dbraw/zinc/26/86/71/943268671.db2.gz YALFYNRWOYIEME-UHFFFAOYSA-N 1 0 359.401 3.664 20 5 FHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c2c(c1)COCO2 ZINC000503656154 943313593 /nfs/dbraw/zinc/31/35/93/943313593.db2.gz ZALBTOPFYPIEQP-ZDUSSCGKSA-N 1 0 358.369 3.590 20 5 FHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000422890586 943320234 /nfs/dbraw/zinc/32/02/34/943320234.db2.gz SLPMMIPYDIPHCZ-LBPRGKRZSA-N 1 0 359.451 3.657 20 5 FHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000514910371 943381498 /nfs/dbraw/zinc/38/14/98/943381498.db2.gz SHMSUYZMGSEKLC-IIUKIDADSA-N 1 0 358.360 3.633 20 5 FHBDRO O=[N+]([O-])c1cc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000423085688 943389097 /nfs/dbraw/zinc/38/90/97/943389097.db2.gz KHYJHCVSFRKRJS-ARFHVFGLSA-N 1 0 357.376 3.624 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)[C@@H]3CCCOC3)o2)c([N+](=O)[O-])c1 ZINC000503891078 943405662 /nfs/dbraw/zinc/40/56/62/943405662.db2.gz HIUPEPKIQHJQDP-ZIAGYGMSSA-N 1 0 360.410 3.768 20 5 FHBDRO C[NH+](C)Cc1ccc(-c2noc([C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000417272152 943478895 /nfs/dbraw/zinc/47/88/95/943478895.db2.gz SUADEPUTCRDXOQ-ZWKOTPCHSA-N 1 0 364.405 3.978 20 5 FHBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000423324696 943479846 /nfs/dbraw/zinc/47/98/46/943479846.db2.gz IEXGCJONKAISPI-YSSFQJQWSA-N 1 0 369.465 3.708 20 5 FHBDRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000423324692 943479988 /nfs/dbraw/zinc/47/99/88/943479988.db2.gz IEXGCJONKAISPI-UIAACRFSSA-N 1 0 369.465 3.708 20 5 FHBDRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000423337697 943483361 /nfs/dbraw/zinc/48/33/61/943483361.db2.gz RIWCJSACRXWAAR-UIAACRFSSA-N 1 0 369.465 3.708 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC3(CCOCC3)[C@@H]1O)CCCC2 ZINC000417316288 943502840 /nfs/dbraw/zinc/50/28/40/943502840.db2.gz APWUVKYDQOWBNC-NSISKUIASA-N 1 0 374.481 3.520 20 5 FHBDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417312575 943508475 /nfs/dbraw/zinc/50/84/75/943508475.db2.gz SOGXDTKVTFBFGE-SFHVURJKSA-N 1 0 371.437 3.673 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cccc(-n3cncn3)c1)CCCC2 ZINC000417313118 943509102 /nfs/dbraw/zinc/50/91/02/943509102.db2.gz OTXUPTWEOMQHMW-HXUWFJFHSA-N 1 0 363.421 3.733 20 5 FHBDRO CNC(=O)c1ccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417326846 943518148 /nfs/dbraw/zinc/51/81/48/943518148.db2.gz RSDNSEBFCDAPRN-LJQANCHMSA-N 1 0 353.422 3.512 20 5 FHBDRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000417349364 943528444 /nfs/dbraw/zinc/52/84/44/943528444.db2.gz DYIPRSCVCOEXDR-SNRMKQJTSA-N 1 0 370.453 3.606 20 5 FHBDRO COc1ccc([C@H](CO)C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417362799 943541398 /nfs/dbraw/zinc/54/13/98/943541398.db2.gz KUOAAWNTNWSVKM-UWJYYQICSA-N 1 0 370.449 3.737 20 5 FHBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@H]2CCN(CC(F)F)C2)c2ccccc2)c1 ZINC000417389988 943567185 /nfs/dbraw/zinc/56/71/85/943567185.db2.gz QEDBRSSUOVWECR-LPHOPBHVSA-N 1 0 361.392 3.613 20 5 FHBDRO CCC[N@H+](CC)Cc1ccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000511625293 943579588 /nfs/dbraw/zinc/57/95/88/943579588.db2.gz LVVBUHYRLOINLN-UHFFFAOYSA-N 1 0 369.465 3.799 20 5 FHBDRO CCC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000367126618 943582729 /nfs/dbraw/zinc/58/27/29/943582729.db2.gz NTJSFQQSBBENMT-NEWSRXKRSA-N 1 0 362.470 3.593 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000516844643 943764569 /nfs/dbraw/zinc/76/45/69/943764569.db2.gz RZIJKMXBUJMKAF-CQSZACIVSA-N 1 0 359.426 3.725 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)CN(C)C)cc1[N+](=O)[O-] ZINC000504899062 943877424 /nfs/dbraw/zinc/87/74/24/943877424.db2.gz AEKGFAIVYCDIEL-APWZRJJASA-N 1 0 371.481 3.817 20 5 FHBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000053373043 943897956 /nfs/dbraw/zinc/89/79/56/943897956.db2.gz UPSNZVPZMPDSDQ-XEDBTPMOSA-N 1 0 365.433 3.561 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(OC)c(O)c1 ZINC000504912424 943908695 /nfs/dbraw/zinc/90/86/95/943908695.db2.gz WEBIISRTYZFQQR-CQSZACIVSA-N 1 0 362.451 3.970 20 5 FHBDRO Cc1cc(C[NH3+])cc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000424440338 943915124 /nfs/dbraw/zinc/91/51/24/943915124.db2.gz UJHGGKNBOJYQGK-UHFFFAOYSA-N 1 0 354.410 3.558 20 5 FHBDRO CC[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1CCOCC1 ZINC000425452279 943959517 /nfs/dbraw/zinc/95/95/17/943959517.db2.gz CUWWCQOFVPVKPG-AWEZNQCLSA-N 1 0 357.248 3.652 20 5 FHBDRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])c1 ZINC000515539976 943973966 /nfs/dbraw/zinc/97/39/66/943973966.db2.gz IGVLXZYMJAKZTH-KRWDZBQOSA-N 1 0 372.421 3.828 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000584508952 943986278 /nfs/dbraw/zinc/98/62/78/943986278.db2.gz OSPORGWWDSKBJD-UHFFFAOYSA-N 1 0 353.850 3.503 20 5 FHBDRO C[NH+](C)[C@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])c1cccs1 ZINC000436265778 944141453 /nfs/dbraw/zinc/14/14/53/944141453.db2.gz MSMAYRRGDNUJLJ-LLVKDONJSA-N 1 0 360.361 3.785 20 5 FHBDRO Cc1ccc(CC(C)(C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000418108830 944156315 /nfs/dbraw/zinc/15/63/15/944156315.db2.gz SHJGMLLZFBNGOV-UHFFFAOYSA-N 1 0 356.422 3.881 20 5 FHBDRO C[NH+](C)[C@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])c1cccc(F)c1 ZINC000436273040 944171850 /nfs/dbraw/zinc/17/18/50/944171850.db2.gz IONCKTNNVTUVLG-CYBMUJFWSA-N 1 0 372.322 3.863 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000505786568 944171866 /nfs/dbraw/zinc/17/18/66/944171866.db2.gz CBDJXEPUHMOBMF-AWEZNQCLSA-N 1 0 365.499 3.559 20 5 FHBDRO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H](C)Cc1ccsc1 ZINC000425921037 944175502 /nfs/dbraw/zinc/17/55/02/944175502.db2.gz QNTFRHYIQSVPTE-CQSZACIVSA-N 1 0 361.467 3.856 20 5 FHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2C[C@H](c3ccccc3F)C2)n1 ZINC000436301179 944185450 /nfs/dbraw/zinc/18/54/50/944185450.db2.gz YGLWGTRCOWFMOY-DTTOXWODSA-N 1 0 358.417 3.950 20 5 FHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)n1 ZINC000436302032 944186269 /nfs/dbraw/zinc/18/62/69/944186269.db2.gz QPFQYCMJEIGASB-DKIMLUQUSA-N 1 0 358.417 3.950 20 5 FHBDRO CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000437878848 944194251 /nfs/dbraw/zinc/19/42/51/944194251.db2.gz VMFPYDCAGGHODU-LJQANCHMSA-N 1 0 373.497 3.786 20 5 FHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000436317063 944196441 /nfs/dbraw/zinc/19/64/41/944196441.db2.gz KFUOOFLZZGCGHT-GOEBONIOSA-N 1 0 352.438 3.810 20 5 FHBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cccc(Br)c1 ZINC000515777043 944201369 /nfs/dbraw/zinc/20/13/69/944201369.db2.gz XPJPYRKPQPMDOC-UHFFFAOYSA-N 1 0 365.227 3.868 20 5 FHBDRO C[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@@H+]1CCCC[C@@H]1C ZINC000437933604 944237089 /nfs/dbraw/zinc/23/70/89/944237089.db2.gz PPHIJZNIOYNVMB-JKSUJKDBSA-N 1 0 374.485 3.532 20 5 FHBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437951874 944250306 /nfs/dbraw/zinc/25/03/06/944250306.db2.gz HYVCSHORCWJIPW-IYBDPMFKSA-N 1 0 374.485 3.532 20 5 FHBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000436390327 944260315 /nfs/dbraw/zinc/26/03/15/944260315.db2.gz ODMISAKFGBZYRL-LBPRGKRZSA-N 1 0 358.364 3.685 20 5 FHBDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000436379409 944265582 /nfs/dbraw/zinc/26/55/82/944265582.db2.gz XUFMKORLGJIRLG-ICSRJNTNSA-N 1 0 374.437 3.511 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)o1 ZINC000500227408 944297478 /nfs/dbraw/zinc/29/74/78/944297478.db2.gz FRSOTACTILLQFD-INIZCTEOSA-N 1 0 370.380 3.687 20 5 FHBDRO CSc1ccc([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000500237697 944309054 /nfs/dbraw/zinc/30/90/54/944309054.db2.gz LWESQOYCWGFVTE-ZDUSSCGKSA-N 1 0 359.451 3.630 20 5 FHBDRO CSc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000500235865 944315517 /nfs/dbraw/zinc/31/55/17/944315517.db2.gz ZPEOBTOZUYDKOP-STQMWFEESA-N 1 0 359.451 3.995 20 5 FHBDRO CSc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000500235787 944315704 /nfs/dbraw/zinc/31/57/04/944315704.db2.gz YLTRGROOQQYWAQ-SCLBCKFNSA-N 1 0 371.462 3.773 20 5 FHBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@@H](C)[C@@H]2CCOC2)cc1OC ZINC000500247553 944330374 /nfs/dbraw/zinc/33/03/74/944330374.db2.gz YORDWUZITBLRSK-SOUVJXGZSA-N 1 0 366.458 3.543 20 5 FHBDRO COc1cc(C[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)ccc1[N+](=O)[O-] ZINC000550189754 944368834 /nfs/dbraw/zinc/36/88/34/944368834.db2.gz FXQHJXGJXACTTH-UHFFFAOYSA-N 1 0 374.412 3.624 20 5 FHBDRO CC(C)c1ccc(C[NH2+]CCc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000517540702 944371719 /nfs/dbraw/zinc/37/17/19/944371719.db2.gz HTPMAMWQUVNENO-UHFFFAOYSA-N 1 0 356.422 3.822 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1CCCNc1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC001167754103 944375861 /nfs/dbraw/zinc/37/58/61/944375861.db2.gz VAWXPRZGSPOJMS-HNNXBMFYSA-N 1 0 371.441 3.854 20 5 FHBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000517560983 944391738 /nfs/dbraw/zinc/39/17/38/944391738.db2.gz DSDSIVHLFDRTLX-UHFFFAOYSA-N 1 0 357.385 3.972 20 5 FHBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(-c4ccccc4)o3)CC2)n1 ZINC000425956525 944402299 /nfs/dbraw/zinc/40/22/99/944402299.db2.gz DPORAPUSZVYDIH-UHFFFAOYSA-N 1 0 352.394 3.888 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](CC)C(C)C ZINC000506187932 944410854 /nfs/dbraw/zinc/41/08/54/944410854.db2.gz IGOXAMFDZVHLCV-UHFFFAOYSA-N 1 0 353.488 3.557 20 5 FHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)c1 ZINC000505844004 944411940 /nfs/dbraw/zinc/41/19/40/944411940.db2.gz CRPOKQMRXVUZMK-WIMDODNTSA-N 1 0 368.433 3.512 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(c3ccccc3F)C1)CCC2 ZINC000426307557 944430882 /nfs/dbraw/zinc/43/08/82/944430882.db2.gz RXWIYOJWJCFFQX-KXBFYZLASA-N 1 0 355.413 3.980 20 5 FHBDRO Cc1c([C@@H](C)[NH2+]CCc2cc(F)cc3c2OCOC3)cccc1[N+](=O)[O-] ZINC000120703800 944492176 /nfs/dbraw/zinc/49/21/76/944492176.db2.gz GDYZKGJLSLYQEW-CYBMUJFWSA-N 1 0 360.385 3.802 20 5 FHBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H](C)C1 ZINC000516190644 944579361 /nfs/dbraw/zinc/57/93/61/944579361.db2.gz BZIKNDVROHFMCM-IGCXYCKISA-N 1 0 371.403 3.776 20 5 FHBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000425998161 944586286 /nfs/dbraw/zinc/58/62/86/944586286.db2.gz GHKNJJONXJKSRJ-HIFRSBDPSA-N 1 0 360.385 3.729 20 5 FHBDRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000566701779 944638527 /nfs/dbraw/zinc/63/85/27/944638527.db2.gz JZRLTUMVZVFFFM-JLTOFOAXSA-N 1 0 353.422 3.984 20 5 FHBDRO CSc1ccc([C@@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000439465032 944642435 /nfs/dbraw/zinc/64/24/35/944642435.db2.gz DNNVKDTXALGIIR-CYBMUJFWSA-N 1 0 371.462 3.557 20 5 FHBDRO CSc1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000439464676 944664216 /nfs/dbraw/zinc/66/42/16/944664216.db2.gz DNRSQUAQDLLQKJ-CYBMUJFWSA-N 1 0 359.451 3.914 20 5 FHBDRO CC(C)[N@H+](CCC(=O)NCC1CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000518754671 944697690 /nfs/dbraw/zinc/69/76/90/944697690.db2.gz WUEZZEXHEUARBX-UHFFFAOYSA-N 1 0 361.486 3.892 20 5 FHBDRO C[C@@H]1CCC[C@@](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)([NH+](C)C)C1 ZINC000518782456 944738179 /nfs/dbraw/zinc/73/81/79/944738179.db2.gz ZEHZHIWUBCOQNV-BFUOFWGJSA-N 1 0 359.426 3.581 20 5 FHBDRO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000506296373 944836881 /nfs/dbraw/zinc/83/68/81/944836881.db2.gz YPUVOJVLWLMADB-KKMIYCERSA-N 1 0 365.433 3.959 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2Cc3ccccc3N(C)C2)cc1[N+](=O)[O-] ZINC000437079193 944997082 /nfs/dbraw/zinc/99/70/82/944997082.db2.gz PTBZKAGWRHSLSM-HOTGVXAUSA-N 1 0 369.465 3.953 20 5 FHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000437081538 944997660 /nfs/dbraw/zinc/99/76/60/944997660.db2.gz YBWMTETZBRRZRG-YVEFUNNKSA-N 1 0 373.384 3.564 20 5 FHBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000128485788 945479906 /nfs/dbraw/zinc/47/99/06/945479906.db2.gz IMZUWFGCGIBMOE-UHFFFAOYSA-N 1 0 369.421 3.517 20 5 FHBDRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000190429914 945544158 /nfs/dbraw/zinc/54/41/58/945544158.db2.gz NUDRTYALZLBLJK-HKUYNNGSSA-N 1 0 372.469 3.945 20 5 FHBDRO CC(=O)NCC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)Cc1ccsc1 ZINC000519655379 945604921 /nfs/dbraw/zinc/60/49/21/945604921.db2.gz VHFJQXJFZBEPHS-XNTDXEJSSA-N 1 0 373.478 3.698 20 5 FHBDRO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3C)cn2)n1 ZINC000162802193 945656917 /nfs/dbraw/zinc/65/69/17/945656917.db2.gz VQVOHBDQSJMLJS-MRXNPFEDSA-N 1 0 365.437 3.952 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000107554083 945705461 /nfs/dbraw/zinc/70/54/61/945705461.db2.gz LQBOGWAOWYYLMU-AWEZNQCLSA-N 1 0 373.478 3.961 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000067361096 945723359 /nfs/dbraw/zinc/72/33/59/945723359.db2.gz CWXVPTMVDQPPDL-SFHVURJKSA-N 1 0 367.449 3.545 20 5 FHBDRO Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000067361770 945746979 /nfs/dbraw/zinc/74/69/79/945746979.db2.gz YCSKNILSHZFMAB-GOSISDBHSA-N 1 0 367.449 3.545 20 5 FHBDRO Cc1c(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000066876624 945804035 /nfs/dbraw/zinc/80/40/35/945804035.db2.gz HTVXYQBOAJLLHZ-UHFFFAOYSA-N 1 0 359.470 3.564 20 5 FHBDRO CCC1([NH+]2CCCCC2)CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000893430125 945809417 /nfs/dbraw/zinc/80/94/17/945809417.db2.gz BOHMOXJGUWAYPH-UHFFFAOYSA-N 1 0 363.433 3.605 20 5 FHBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000522887459 946060835 /nfs/dbraw/zinc/06/08/35/946060835.db2.gz KTDXJOCHLFQINX-HNNXBMFYSA-N 1 0 365.499 3.701 20 5 FHBDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000714056442 946076939 /nfs/dbraw/zinc/07/69/39/946076939.db2.gz MPBJAVZHEGAFBC-UHFFFAOYSA-N 1 0 371.412 3.518 20 5 FHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000109006187 946120529 /nfs/dbraw/zinc/12/05/29/946120529.db2.gz GLBRPQQPCVYDDW-HNNXBMFYSA-N 1 0 359.470 3.817 20 5 FHBDRO CC(C)c1ccc(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000439742335 946124689 /nfs/dbraw/zinc/12/46/89/946124689.db2.gz UBXNBYOCJRHXHP-MOPGFXCFSA-N 1 0 367.449 3.546 20 5 FHBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000045959998 946265013 /nfs/dbraw/zinc/26/50/13/946265013.db2.gz QZGYHCQIBRJPLD-CYBMUJFWSA-N 1 0 368.865 3.882 20 5 FHBDRO Cc1ccsc1[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549552518 946323531 /nfs/dbraw/zinc/32/35/31/946323531.db2.gz AKSFQBJRVOITCQ-CYBMUJFWSA-N 1 0 360.357 3.807 20 5 FHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000186022120 946330961 /nfs/dbraw/zinc/33/09/61/946330961.db2.gz CIWSTRBBMNQOFY-AWEZNQCLSA-N 1 0 365.861 3.519 20 5 FHBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCS1 ZINC000896951655 946358763 /nfs/dbraw/zinc/35/87/63/946358763.db2.gz LHELRRFEVCNCAB-SFYZADRCSA-N 1 0 351.291 3.793 20 5 FHBDRO CSc1cccc(C(=O)NCCCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000186486873 946397533 /nfs/dbraw/zinc/39/75/33/946397533.db2.gz CFVLZSRDTNVMQX-UHFFFAOYSA-N 1 0 365.499 3.703 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000048050854 946484875 /nfs/dbraw/zinc/48/48/75/946484875.db2.gz GAXSLBPGUXMXKQ-UHFFFAOYSA-N 1 0 374.416 3.638 20 5 FHBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000475144009 946492450 /nfs/dbraw/zinc/49/24/50/946492450.db2.gz KLMBPXPAYGRXIC-JKSUJKDBSA-N 1 0 363.458 3.736 20 5 FHBDRO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000897040124 946530684 /nfs/dbraw/zinc/53/06/84/946530684.db2.gz FSSKAPQKDXRTAH-ZWNOBZJWSA-N 1 0 350.806 3.620 20 5 FHBDRO COc1ccc(OCC[N@H+](CCc2cccc(F)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000441397872 946554434 /nfs/dbraw/zinc/55/44/34/946554434.db2.gz ATTRDDLWEISHIP-UHFFFAOYSA-N 1 0 374.412 3.828 20 5 FHBDRO CCS[C@@H]1CCCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000441396868 946554595 /nfs/dbraw/zinc/55/45/95/946554595.db2.gz DLBGYARSFPGGHQ-OAHLLOKOSA-N 1 0 354.472 3.590 20 5 FHBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(N3CCCC3=O)cc2)cccc1[N+](=O)[O-] ZINC000178445270 946561865 /nfs/dbraw/zinc/56/18/65/946561865.db2.gz OCZCDLYBTNSOGQ-OAHLLOKOSA-N 1 0 353.422 3.881 20 5 FHBDRO COc1ccc([C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C2CCC2)cc1 ZINC000897080121 946584256 /nfs/dbraw/zinc/58/42/56/946584256.db2.gz QXTXUQRKLIXPKQ-RJYAGPCLSA-N 1 0 356.426 3.634 20 5 FHBDRO CCS[C@@H]1CCCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000112089799 946667026 /nfs/dbraw/zinc/66/70/26/946667026.db2.gz RSPQRVOSWBHOAJ-CQSZACIVSA-N 1 0 351.472 3.531 20 5 FHBDRO CC(=O)c1cc(N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000323980183 946749650 /nfs/dbraw/zinc/74/96/50/946749650.db2.gz DZPJGXLPJUNCAO-MRXNPFEDSA-N 1 0 367.449 3.756 20 5 FHBDRO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)CCO2 ZINC000475290044 946829396 /nfs/dbraw/zinc/82/93/96/946829396.db2.gz DZDOLGIFHGLJRA-AUUYWEPGSA-N 1 0 374.462 3.703 20 5 FHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000579268953 946848792 /nfs/dbraw/zinc/84/87/92/946848792.db2.gz OKNLRHOCXIWIDE-HOCLYGCPSA-N 1 0 362.857 3.935 20 5 FHBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000444613297 947040075 /nfs/dbraw/zinc/04/00/75/947040075.db2.gz WDTOXCYNDNVCSJ-AWEZNQCLSA-N 1 0 368.437 3.933 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@H+]2C[C@H](O)C3(CC3)C2)cc1 ZINC000428370904 947044641 /nfs/dbraw/zinc/04/46/41/947044641.db2.gz CEYZROSQPLWZML-SFHVURJKSA-N 1 0 374.824 3.997 20 5 FHBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186367892 947075608 /nfs/dbraw/zinc/07/56/08/947075608.db2.gz GGKOGLUYWNCXRY-MSOLQXFVSA-N 1 0 359.426 3.933 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444698957 947122864 /nfs/dbraw/zinc/12/28/64/947122864.db2.gz DKUJDXAYLOWPGC-UHFFFAOYSA-N 1 0 363.364 3.642 20 5 FHBDRO Cc1c(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000074448268 947171156 /nfs/dbraw/zinc/17/11/56/947171156.db2.gz WYCFXMPJSDSISO-SFHVURJKSA-N 1 0 367.449 3.640 20 5 FHBDRO C[C@H]([NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000125658787 947215390 /nfs/dbraw/zinc/21/53/90/947215390.db2.gz TUKCDXIDLSYWIN-ZBEGNZNMSA-N 1 0 370.327 3.878 20 5 FHBDRO Cc1cc(NCC2CC[NH+](C3CC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000444881639 947308325 /nfs/dbraw/zinc/30/83/25/947308325.db2.gz WYMBGFJKBLEKCX-UHFFFAOYSA-N 1 0 368.275 3.952 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000367718471 947400835 /nfs/dbraw/zinc/40/08/35/947400835.db2.gz HEBXEBODZBJCRG-HXUWFJFHSA-N 1 0 356.422 3.861 20 5 FHBDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000567965797 947543349 /nfs/dbraw/zinc/54/33/49/947543349.db2.gz CBLIXRRLSGWJGE-DNVCBOLYSA-N 1 0 372.469 3.511 20 5 FHBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000843773366 947638534 /nfs/dbraw/zinc/63/85/34/947638534.db2.gz AOYVVDKOXUUKJV-STQMWFEESA-N 1 0 365.449 3.529 20 5 FHBDRO C[C@H]([NH3+])[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000925761580 947696551 /nfs/dbraw/zinc/69/65/51/947696551.db2.gz CNXPRPBTPAVMAJ-MEDUHNTESA-N 1 0 364.243 3.535 20 5 FHBDRO O=[N+]([O-])c1cccc2c(NC3CC[NH+](Cc4ccccn4)CC3)ccnc21 ZINC000432321905 948042885 /nfs/dbraw/zinc/04/28/85/948042885.db2.gz WNFYWNBTJXAHSQ-UHFFFAOYSA-N 1 0 363.421 3.615 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000278901583 948045695 /nfs/dbraw/zinc/04/56/95/948045695.db2.gz FVTFIPDHWJBYOU-GJZGRUSLSA-N 1 0 360.483 3.514 20 5 FHBDRO CC1(C)C[C@H]([NH2+]Cc2ccc(NC(N)=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000278971706 948354088 /nfs/dbraw/zinc/35/40/88/948354088.db2.gz CCEGSGJGOVFGAO-KRWDZBQOSA-N 1 0 354.410 3.598 20 5 FHBDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000441637246 948432484 /nfs/dbraw/zinc/43/24/84/948432484.db2.gz UOPSMMOMWCTYAS-KRWDZBQOSA-N 1 0 363.458 3.833 20 5 FHBDRO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1c[nH]c2ccccc12 ZINC000190463924 948486503 /nfs/dbraw/zinc/48/65/03/948486503.db2.gz DYLFWYCQOKFUAT-UHFFFAOYSA-N 1 0 366.421 3.561 20 5 FHBDRO Cc1cc(N2CCC[C@@H](OCC(F)(F)F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543959462 948625687 /nfs/dbraw/zinc/62/56/87/948625687.db2.gz CANJECCSWKBVCS-CYBMUJFWSA-N 1 0 369.343 3.999 20 5 FHBDRO CC(C)[C@H](C)NC(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182103021 948663002 /nfs/dbraw/zinc/66/30/02/948663002.db2.gz XRRARYUHZWRYRG-ZDUSSCGKSA-N 1 0 367.877 3.621 20 5 FHBDRO COc1ccc(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000512182457 948706612 /nfs/dbraw/zinc/70/66/12/948706612.db2.gz SHAGMLVOVHCWFU-AEFFLSMTSA-N 1 0 361.486 3.690 20 5 FHBDRO O=C(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccc(Cl)cc1 ZINC000481401841 567892222 /nfs/dbraw/zinc/89/22/22/567892222.db2.gz JHPDJQQJDXBBSX-KRWDZBQOSA-N 1 0 373.840 3.798 20 5 FHBDRO C[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)no1 ZINC000602581563 567993794 /nfs/dbraw/zinc/99/37/94/567993794.db2.gz UMAURIICXWOYCZ-CQSZACIVSA-N 1 0 352.394 3.581 20 5 FHBDRO COCC1CCC([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602689416 568011791 /nfs/dbraw/zinc/01/17/91/568011791.db2.gz HJLZCIKDYLAOPF-UHFFFAOYSA-N 1 0 363.277 3.714 20 5 FHBDRO CC(C)[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000602805379 568038052 /nfs/dbraw/zinc/03/80/52/568038052.db2.gz LOGDKJCOBAHRJT-AWEZNQCLSA-N 1 0 356.348 3.834 20 5 FHBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(N2CCCNC2=O)cc1 ZINC000291228319 568084147 /nfs/dbraw/zinc/08/41/47/568084147.db2.gz PLWICQZRNFYSRV-HUUCEWRRSA-N 1 0 368.437 3.926 20 5 FHBDRO CC[NH+](CC)CCOc1ccccc1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000481701816 568092267 /nfs/dbraw/zinc/09/22/67/568092267.db2.gz MGNOUXLNGRSIHC-UHFFFAOYSA-N 1 0 358.442 3.631 20 5 FHBDRO CNC(=O)C[C@@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000481812223 568130713 /nfs/dbraw/zinc/13/07/13/568130713.db2.gz DOVKACDGJIETLE-GOSISDBHSA-N 1 0 355.438 3.685 20 5 FHBDRO CCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000128743057 568246073 /nfs/dbraw/zinc/24/60/73/568246073.db2.gz ZWTXUYJSGCDMOQ-UHFFFAOYSA-N 1 0 373.375 3.608 20 5 FHBDRO Cc1c(CC(=O)N(CC[NH+]2CCCCCC2)C2CCC2)cccc1[N+](=O)[O-] ZINC000568905893 568251778 /nfs/dbraw/zinc/25/17/78/568251778.db2.gz CZEMUQAWQAXRIR-UHFFFAOYSA-N 1 0 373.497 3.703 20 5 FHBDRO C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000568982539 568260881 /nfs/dbraw/zinc/26/08/81/568260881.db2.gz GAABHLNRHKIFIJ-UKRRQHHQSA-N 1 0 371.462 3.555 20 5 FHBDRO CCO[C@H]1C[C@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(CC)CC ZINC000482135155 568276832 /nfs/dbraw/zinc/27/68/32/568276832.db2.gz MUOUGNYBOFIXHD-HOTGVXAUSA-N 1 0 374.441 3.718 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000569174915 568303940 /nfs/dbraw/zinc/30/39/40/568303940.db2.gz XAEZNVWZFNCHBI-UHFFFAOYSA-N 1 0 362.474 3.741 20 5 FHBDRO Cc1cc(N(C)Cc2ccc([S@@](C)=O)cc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302108292 568304999 /nfs/dbraw/zinc/30/49/99/568304999.db2.gz YJEKHSSWOGVSDU-AREMUKBSSA-N 1 0 369.446 3.825 20 5 FHBDRO C[C@@H](NC(=O)c1ccccc1CC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000569606673 568409772 /nfs/dbraw/zinc/40/97/72/568409772.db2.gz JINUVZKOIWCJMS-OAHLLOKOSA-N 1 0 367.449 3.628 20 5 FHBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(C(=O)OC)cc1 ZINC000569795341 568425659 /nfs/dbraw/zinc/42/56/59/568425659.db2.gz LMEALDOGNXYLQZ-INIZCTEOSA-N 1 0 358.394 3.631 20 5 FHBDRO C[C@@]1(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000584723877 568554782 /nfs/dbraw/zinc/55/47/82/568554782.db2.gz PHANVOUKRMEFRC-LJQANCHMSA-N 1 0 372.400 3.520 20 5 FHBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000825141340 609148372 /nfs/dbraw/zinc/14/83/72/609148372.db2.gz NXSQRHDCYATKQF-APPDUMDISA-N 1 0 370.388 3.716 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164623610 719082891 /nfs/dbraw/zinc/08/28/91/719082891.db2.gz JXYCFZIVGROJFT-MOPGFXCFSA-N 1 0 366.465 3.707 20 5 FHBDRO CN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485393542 721939175 /nfs/dbraw/zinc/93/91/75/721939175.db2.gz NYLUQTHSJOTFGS-UHFFFAOYSA-N 1 0 358.417 3.574 20 5 FHBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccc2c(c1)OCCO2 ZINC000178729042 936326720 /nfs/dbraw/zinc/32/67/20/936326720.db2.gz AFKCECWZERHOCA-INIZCTEOSA-N 1 0 358.394 3.616 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000052074317 937079051 /nfs/dbraw/zinc/07/90/51/937079051.db2.gz MXBRMPWVCJWAAH-UHFFFAOYSA-N 1 0 362.430 3.595 20 5 FHBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000175271468 927147179 /nfs/dbraw/zinc/14/71/79/927147179.db2.gz RAVFMPKPMCXWRA-MRXNPFEDSA-N 1 0 373.478 3.641 20 5 FHBDRO O=C(CC[NH+]1CCC(c2ccsc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000186952310 927601789 /nfs/dbraw/zinc/60/17/89/927601789.db2.gz BQRSHIKXVUWDKO-UHFFFAOYSA-N 1 0 359.451 3.865 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(N2CC3(CC[NH2+]CC3)c3ccccc32)nc1Cl ZINC001167069588 928183702 /nfs/dbraw/zinc/18/37/02/928183702.db2.gz KJMZTEYBKRCBCF-UHFFFAOYSA-N 1 0 358.829 3.725 20 5 FHBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)[C@@H]1CCCO1 ZINC000535960035 937231373 /nfs/dbraw/zinc/23/13/73/937231373.db2.gz OHPXZIDSBMHTSW-APWZRJJASA-N 1 0 360.410 3.911 20 5 FHBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)[C@@H]1CCCO1 ZINC000535960041 937231394 /nfs/dbraw/zinc/23/13/94/937231394.db2.gz OHPXZIDSBMHTSW-LPHOPBHVSA-N 1 0 360.410 3.911 20 5 FHBDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000248136801 937256455 /nfs/dbraw/zinc/25/64/55/937256455.db2.gz PDFXHRYZPTYBKT-GQIGUUNPSA-N 1 0 354.454 3.551 20 5 FHBDRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000466898761 928750149 /nfs/dbraw/zinc/75/01/49/928750149.db2.gz BHKPSNZALFLGPG-GOSISDBHSA-N 1 0 366.417 3.856 20 5 FHBDRO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000248170124 937281569 /nfs/dbraw/zinc/28/15/69/937281569.db2.gz UPEHRAHVRLIMRY-LMMKCTJWSA-N 1 0 363.502 3.691 20 5 FHBDRO O=[N+]([O-])c1ccc2ccc(-n3c4ccc(F)cc4c4c3CC[NH2+]C4)nc2c1 ZINC001167087071 928961079 /nfs/dbraw/zinc/96/10/79/928961079.db2.gz HJBDYGNKHSJFGM-UHFFFAOYSA-N 1 0 362.364 3.872 20 5 FHBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)n1 ZINC001167087220 928968834 /nfs/dbraw/zinc/96/88/34/928968834.db2.gz OCGOPLDACAJBLV-UHFFFAOYSA-N 1 0 360.776 3.680 20 5 FHBDRO O=[N+]([O-])c1ccc2ccnc(-n3c4ccc(F)cc4c4c3CC[NH2+]C4)c2c1 ZINC001167088233 929006593 /nfs/dbraw/zinc/00/65/93/929006593.db2.gz AQCYCHXPYDSSRF-UHFFFAOYSA-N 1 0 362.364 3.872 20 5 FHBDRO CC[NH+](CC)C[C@H](C)NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000609222442 929086763 /nfs/dbraw/zinc/08/67/63/929086763.db2.gz JVQXWIRANNPWRH-AWEZNQCLSA-N 1 0 361.442 3.683 20 5 FHBDRO CCc1ccc([C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C(C)C)cc1 ZINC000023674589 929692165 /nfs/dbraw/zinc/69/21/65/929692165.db2.gz RNSFGNITKKSDCR-CTNGQTDRSA-N 1 0 372.465 3.884 20 5 FHBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c1 ZINC000176776444 937357155 /nfs/dbraw/zinc/35/71/55/937357155.db2.gz BTTGEZTVKWUSKN-UHFFFAOYSA-N 1 0 373.428 3.814 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+]CCCn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000319106431 929764883 /nfs/dbraw/zinc/76/48/83/929764883.db2.gz QQYGNKQZTCYBSG-GFCCVEGCSA-N 1 0 367.247 3.603 20 5 FHBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000580006280 929803706 /nfs/dbraw/zinc/80/37/06/929803706.db2.gz SXXITKWJORSMFS-MRXNPFEDSA-N 1 0 371.437 3.736 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000610317194 929868112 /nfs/dbraw/zinc/86/81/12/929868112.db2.gz PGINJEGQDIAFPV-SFHVURJKSA-N 1 0 368.437 3.641 20 5 FHBDRO Cc1ccc(NC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000610316914 929874143 /nfs/dbraw/zinc/87/41/43/929874143.db2.gz JNDJQBLCEDVODE-SFHVURJKSA-N 1 0 368.437 3.641 20 5 FHBDRO Cc1cc(F)cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000176683495 937370939 /nfs/dbraw/zinc/37/09/39/937370939.db2.gz IYEZKKZRIOHVPW-SFHVURJKSA-N 1 0 371.412 3.609 20 5 FHBDRO O=C1[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCN1c1ccccc1Cl ZINC000610341449 930035662 /nfs/dbraw/zinc/03/56/62/930035662.db2.gz QXJLVIFYDNWGJN-KRWDZBQOSA-N 1 0 373.840 3.576 20 5 FHBDRO Cc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000175876803 930143366 /nfs/dbraw/zinc/14/33/66/930143366.db2.gz QAVBQYGVRVWDEV-MRXNPFEDSA-N 1 0 361.829 3.589 20 5 FHBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@@H+]1C ZINC000275754788 930155889 /nfs/dbraw/zinc/15/58/89/930155889.db2.gz JQQYDDBAJCRGHN-ZBFHGGJFSA-N 1 0 363.461 3.648 20 5 FHBDRO CCc1ccc(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000471539398 930246750 /nfs/dbraw/zinc/24/67/50/930246750.db2.gz KWHGODVGZADNJS-AUUYWEPGSA-N 1 0 355.438 3.578 20 5 FHBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000363548975 937409678 /nfs/dbraw/zinc/40/96/78/937409678.db2.gz LBZTXRVOGZRDBF-UHFFFAOYSA-N 1 0 373.478 3.946 20 5 FHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cncn1Cc1ccccc1 ZINC000580218976 930373193 /nfs/dbraw/zinc/37/31/93/930373193.db2.gz FADHRZUVVLNHFC-UHFFFAOYSA-N 1 0 350.422 3.514 20 5 FHBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000583402569 937411095 /nfs/dbraw/zinc/41/10/95/937411095.db2.gz KWAFPMFCSPQQAB-UKRRQHHQSA-N 1 0 363.487 3.676 20 5 FHBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccccc1C[NH+]1CCCCC1 ZINC000580235986 930395469 /nfs/dbraw/zinc/39/54/69/930395469.db2.gz UGFOBVVVIZBMON-UHFFFAOYSA-N 1 0 357.458 3.718 20 5 FHBDRO CC[C@@H]([NH2+]C[C@H](c1ccc(C)o1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000118959911 930459736 /nfs/dbraw/zinc/45/97/36/930459736.db2.gz PZTXNWATVNSGGQ-RTBURBONSA-N 1 0 373.453 3.610 20 5 FHBDRO CC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)NC ZINC000610420398 930486828 /nfs/dbraw/zinc/48/68/28/930486828.db2.gz OBEDQSCBBGBKRV-PBHICJAKSA-N 1 0 371.437 3.522 20 5 FHBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275830901 930504481 /nfs/dbraw/zinc/50/44/81/930504481.db2.gz UHSPUMZYDGNXPH-OAHLLOKOSA-N 1 0 363.461 3.507 20 5 FHBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379666729 930517765 /nfs/dbraw/zinc/51/77/65/930517765.db2.gz XFMQBKIFRHJLFD-YOEHRIQHSA-N 1 0 357.458 3.585 20 5 FHBDRO C[N@H+](Cc1ccccc1)CC(C)(C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000379681479 930530179 /nfs/dbraw/zinc/53/01/79/930530179.db2.gz RAVYEFTWNZCHPO-UHFFFAOYSA-N 1 0 371.466 3.922 20 5 FHBDRO O=C1[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000446005129 930750594 /nfs/dbraw/zinc/75/05/94/930750594.db2.gz XSNGYRLGCOPGJC-XUVXKRRUSA-N 1 0 365.433 3.626 20 5 FHBDRO CC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 ZINC000537029289 930773394 /nfs/dbraw/zinc/77/33/94/930773394.db2.gz OKTLWQXIHNDDLQ-KRWDZBQOSA-N 1 0 373.840 3.878 20 5 FHBDRO CC(C)[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(C(F)(F)F)c1 ZINC000537057894 930789533 /nfs/dbraw/zinc/78/95/33/930789533.db2.gz ZEQSZNHXQLMFAP-AWEZNQCLSA-N 1 0 356.348 3.834 20 5 FHBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000160535290 930808701 /nfs/dbraw/zinc/80/87/01/930808701.db2.gz BUQMNFHSTMTKMU-UHFFFAOYSA-N 1 0 359.401 3.506 20 5 FHBDRO [NH3+]C1(c2noc(-c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)n2)CCC1 ZINC000261807586 930811984 /nfs/dbraw/zinc/81/19/84/930811984.db2.gz HLLBXHFYTIBQJY-UHFFFAOYSA-N 1 0 365.393 3.595 20 5 FHBDRO C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000548115389 930894192 /nfs/dbraw/zinc/89/41/92/930894192.db2.gz FFHBMBKIUSLPFA-WFASDCNBSA-N 1 0 374.466 3.825 20 5 FHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](CO)C2CC2)ccc1Oc1ccc(F)cc1 ZINC000580679620 931006790 /nfs/dbraw/zinc/00/67/90/931006790.db2.gz GSYPMNQTOSMQED-HNNXBMFYSA-N 1 0 360.385 3.634 20 5 FHBDRO C[C@@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000580758363 931115013 /nfs/dbraw/zinc/11/50/13/931115013.db2.gz YLYOTYULRDSNNO-YJYMSZOUSA-N 1 0 353.422 3.886 20 5 FHBDRO [NH3+]CC1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 ZINC000580772957 931133435 /nfs/dbraw/zinc/13/34/35/931133435.db2.gz KFPUAAVMKFEDMI-UHFFFAOYSA-N 1 0 371.462 3.557 20 5 FHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000580798237 931156332 /nfs/dbraw/zinc/15/63/32/931156332.db2.gz YSKDRWWMIIMHJG-QRWLVFNGSA-N 1 0 358.413 3.722 20 5 FHBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000177837314 931266597 /nfs/dbraw/zinc/26/65/97/931266597.db2.gz JTFKNMDEOHLRBD-NVXWUHKLSA-N 1 0 359.470 3.735 20 5 FHBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000610468455 931322551 /nfs/dbraw/zinc/32/25/51/931322551.db2.gz FVWPTZGLLWAFMM-UHFFFAOYSA-N 1 0 370.453 3.603 20 5 FHBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCCC3)CCOCC2)cc1C(F)(F)F ZINC000610468597 931377938 /nfs/dbraw/zinc/37/79/38/931377938.db2.gz NEROSHSGSXLRER-UHFFFAOYSA-N 1 0 373.375 3.671 20 5 FHBDRO CCC[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000177905291 931545651 /nfs/dbraw/zinc/54/56/51/931545651.db2.gz MAJNAXPZXPULJX-SFHVURJKSA-N 1 0 351.410 3.807 20 5 FHBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000610475799 931545847 /nfs/dbraw/zinc/54/58/47/931545847.db2.gz MMWCBRGZDNFWCR-MRXNPFEDSA-N 1 0 368.437 3.723 20 5 FHBDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000126347091 931758538 /nfs/dbraw/zinc/75/85/38/931758538.db2.gz VGHGAOCPJLWQJI-UONOGXRCSA-N 1 0 373.478 3.985 20 5 FHBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000157014465 931774177 /nfs/dbraw/zinc/77/41/77/931774177.db2.gz CTSMVEIZGORGIU-CQSZACIVSA-N 1 0 374.466 3.568 20 5 FHBDRO Cc1ccc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000023014835 931793232 /nfs/dbraw/zinc/79/32/32/931793232.db2.gz ICXNMDVPRRXWRE-UHFFFAOYSA-N 1 0 367.449 3.545 20 5 FHBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000255289889 931849386 /nfs/dbraw/zinc/84/93/86/931849386.db2.gz ITIVPAJISWGJKL-RSSRPAAFSA-N 1 0 353.422 3.548 20 5 FHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178043223 932217017 /nfs/dbraw/zinc/21/70/17/932217017.db2.gz VQJBPLNAMOLDAQ-IAGOWNOFSA-N 1 0 367.449 3.798 20 5 FHBDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@@H]1C ZINC000276398111 932339313 /nfs/dbraw/zinc/33/93/13/932339313.db2.gz JZKZWJXQYJKLLN-YOEHRIQHSA-N 1 0 365.429 3.577 20 5 FHBDRO CCOC(CC[NH2+][C@H](CC)CSc1ccccc1[N+](=O)[O-])OCC ZINC000276456357 932454533 /nfs/dbraw/zinc/45/45/33/932454533.db2.gz BJANVKYWVAQKFK-CQSZACIVSA-N 1 0 356.488 3.844 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000477379254 932522057 /nfs/dbraw/zinc/52/20/57/932522057.db2.gz ZCYSCHAGQUYZSZ-CABCVRRESA-N 1 0 365.861 3.644 20 5 FHBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000581758104 932611396 /nfs/dbraw/zinc/61/13/96/932611396.db2.gz PWIRTNIPEHBQAL-OAHLLOKOSA-N 1 0 365.477 3.532 20 5 FHBDRO CC(C)[NH+](CCS[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000161061269 932983621 /nfs/dbraw/zinc/98/36/21/932983621.db2.gz CIVFPDWTUGDIPQ-AWEZNQCLSA-N 1 0 353.488 3.774 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@@H](c4ncc[nH]4)C3)o2)c1 ZINC000510534513 933194638 /nfs/dbraw/zinc/19/46/38/933194638.db2.gz QPSMSYDDKFCADQ-OAHLLOKOSA-N 1 0 352.394 3.958 20 5 FHBDRO Cc1cc(C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000510533895 933195405 /nfs/dbraw/zinc/19/54/05/933195405.db2.gz AVVVPDNXYDCSLT-HNAYVOBHSA-N 1 0 355.438 3.633 20 5 FHBDRO CC(C)c1ccc(CN2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000430761504 933214418 /nfs/dbraw/zinc/21/44/18/933214418.db2.gz MAVCPGMXDUAKCJ-GQIGUUNPSA-N 1 0 362.470 3.877 20 5 FHBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1[N+](=O)[O-] ZINC000610644919 933595046 /nfs/dbraw/zinc/59/50/46/933595046.db2.gz PPYMPZKXBGWZMF-JQHSSLGASA-N 1 0 374.485 3.621 20 5 FHBDRO COc1ccc(C[NH+]2CCC3(CC2)OCc2ccccc23)cc1[N+](=O)[O-] ZINC000610738563 934031773 /nfs/dbraw/zinc/03/17/73/934031773.db2.gz JHWIVIDIWOZION-UHFFFAOYSA-N 1 0 354.406 3.625 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cc(-n4ccnc4)cs3)c2c1 ZINC000561753901 934046356 /nfs/dbraw/zinc/04/63/56/934046356.db2.gz QOJQRBNCDYANAD-UHFFFAOYSA-N 1 0 367.434 3.656 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)C[C@@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000610741238 934047734 /nfs/dbraw/zinc/04/77/34/934047734.db2.gz ZNOWMBGPSGALCT-KGLIPLIRSA-N 1 0 360.410 3.768 20 5 FHBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000548487497 934159525 /nfs/dbraw/zinc/15/95/25/934159525.db2.gz FIODHOUUMZYRLN-GDBMZVCRSA-N 1 0 361.442 3.841 20 5 FHBDRO CCC[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000548488327 934160422 /nfs/dbraw/zinc/16/04/22/934160422.db2.gz NOXHDQUZOSTBOX-GOEBONIOSA-N 1 0 363.458 3.881 20 5 FHBDRO Cc1cc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)ncc1[N+](=O)[O-] ZINC000535686149 934280154 /nfs/dbraw/zinc/28/01/54/934280154.db2.gz QXYJQXIMSICRDB-UHFFFAOYSA-N 1 0 366.465 3.791 20 5 FHBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c(F)c1 ZINC000134812848 934338055 /nfs/dbraw/zinc/33/80/55/934338055.db2.gz JCYFSBAJHLSNBO-LPHOPBHVSA-N 1 0 362.376 3.961 20 5 FHBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000934022199 934437979 /nfs/dbraw/zinc/43/79/79/934437979.db2.gz UWQZIXZDXKYBGK-VQTJNVASSA-N 1 0 371.481 3.612 20 5 FHBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000610929659 934626422 /nfs/dbraw/zinc/62/64/22/934626422.db2.gz BSNQCGFOYWDDRC-CQSZACIVSA-N 1 0 360.845 3.744 20 5 FHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)c1 ZINC000458308242 934658466 /nfs/dbraw/zinc/65/84/66/934658466.db2.gz DWUUICYHQMARQP-UHFFFAOYSA-N 1 0 359.451 3.939 20 5 FHBDRO CCc1ccc(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000471992271 934727004 /nfs/dbraw/zinc/72/70/04/934727004.db2.gz NAAWASHGJIXYRB-SFHVURJKSA-N 1 0 371.437 3.626 20 5 FHBDRO CC[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000380492146 934809086 /nfs/dbraw/zinc/80/90/86/934809086.db2.gz WNYNOZNDTYMQPX-LEWJYISDSA-N 1 0 369.465 3.537 20 5 FHBDRO C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000178489252 934837466 /nfs/dbraw/zinc/83/74/66/934837466.db2.gz HVYRWKRCTLTXOO-KBPBESRZSA-N 1 0 373.478 3.985 20 5 FHBDRO C[C@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000178489265 934837622 /nfs/dbraw/zinc/83/76/22/934837622.db2.gz HVYRWKRCTLTXOO-KGLIPLIRSA-N 1 0 373.478 3.985 20 5 FHBDRO O=[N+]([O-])c1ccc(OCCN2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000065535816 934964409 /nfs/dbraw/zinc/96/44/09/934964409.db2.gz VTPDDYRFRUYFIQ-UHFFFAOYSA-N 1 0 361.486 3.562 20 5 FHBDRO CC(C)c1noc(CCC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000178513006 934982642 /nfs/dbraw/zinc/98/26/42/934982642.db2.gz VZGOSIUTIACTBD-INIZCTEOSA-N 1 0 358.442 3.645 20 5 FHBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1cc(F)nc(F)c1 ZINC001213083677 934989624 /nfs/dbraw/zinc/98/96/24/934989624.db2.gz NLDFIOKBZBFFKK-UHFFFAOYSA-N 1 0 366.371 3.917 20 5 FHBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3csc([N+](=O)[O-])c3)cc2)C1 ZINC000071958290 935093716 /nfs/dbraw/zinc/09/37/16/935093716.db2.gz VNCUZLZXNYMABJ-AWEZNQCLSA-N 1 0 373.478 3.818 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)cc1OC ZINC000539268508 935119942 /nfs/dbraw/zinc/11/99/42/935119942.db2.gz SXTNFTHHWGFLNO-CQSZACIVSA-N 1 0 360.410 3.732 20 5 FHBDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000157755964 935179930 /nfs/dbraw/zinc/17/99/30/935179930.db2.gz GUYDFZHARJYXJK-CYBMUJFWSA-N 1 0 373.457 3.534 20 5 FHBDRO CN(c1ccccc1)c1ccc(CN2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000121766812 935199510 /nfs/dbraw/zinc/19/95/10/935199510.db2.gz HOKUMVJJPRRNEO-UHFFFAOYSA-N 1 0 368.481 3.889 20 5 FHBDRO C[NH+](C)CCn1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000119820541 935259067 /nfs/dbraw/zinc/25/90/67/935259067.db2.gz VDTHGYOPMQLVOD-UHFFFAOYSA-N 1 0 371.466 3.694 20 5 FHBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000072058213 935263826 /nfs/dbraw/zinc/26/38/26/935263826.db2.gz XSHOAQAQDQAYCO-UHFFFAOYSA-N 1 0 371.462 3.704 20 5 FHBDRO COc1cc(C[NH+]2CCC(c3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000506388838 945089237 /nfs/dbraw/zinc/08/92/37/945089237.db2.gz XKRPKUMJRXWHAT-UHFFFAOYSA-N 1 0 356.422 3.992 20 5 FHBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000511080213 935314722 /nfs/dbraw/zinc/31/47/22/935314722.db2.gz HUGVMLURDGMEDP-AWEZNQCLSA-N 1 0 368.359 3.690 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ncccc3Cl)C2)cc1[N+](=O)[O-] ZINC000119957438 935361651 /nfs/dbraw/zinc/36/16/51/935361651.db2.gz WBFPTSZSAXOCKQ-ZFWWWQNUSA-N 1 0 360.845 3.881 20 5 FHBDRO C[C@@]12C[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451360162 935365849 /nfs/dbraw/zinc/36/58/49/935365849.db2.gz DYLKNTMABTYLIE-QIJLZVCCSA-N 1 0 351.406 3.894 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC001167567379 935587365 /nfs/dbraw/zinc/58/73/65/935587365.db2.gz FRXWRFIANXXSRM-NRFANRHFSA-N 1 0 354.450 3.861 20 5 FHBDRO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000158132695 935588723 /nfs/dbraw/zinc/58/87/23/935588723.db2.gz MNGJMYBUVPIAGY-SJCJKPOMSA-N 1 0 364.492 3.842 20 5 FHBDRO COc1ccc2nc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])sc2c1 ZINC000511109536 935610166 /nfs/dbraw/zinc/61/01/66/935610166.db2.gz OOLJKGXENGZRMU-UHFFFAOYSA-N 1 0 357.435 3.888 20 5 FHBDRO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[N@@H+]1CCCC[C@H]1C ZINC000478562590 935646642 /nfs/dbraw/zinc/64/66/42/935646642.db2.gz PJNGRHXKPICJBV-CHWSQXEVSA-N 1 0 361.467 3.802 20 5 FHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(Cl)c2c(c1)OCCO2 ZINC000511125780 935705995 /nfs/dbraw/zinc/70/59/95/935705995.db2.gz WTZCVALRXIEGFS-UHFFFAOYSA-N 1 0 362.813 3.694 20 5 FHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000511788846 945120258 /nfs/dbraw/zinc/12/02/58/945120258.db2.gz RYLGLTDGOPIGBI-LJQANCHMSA-N 1 0 367.449 3.625 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000127760937 935777591 /nfs/dbraw/zinc/77/75/91/935777591.db2.gz CMXODPIGGTWUDM-KRWDZBQOSA-N 1 0 374.416 3.775 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000127761223 935777757 /nfs/dbraw/zinc/77/77/57/935777757.db2.gz CMXODPIGGTWUDM-QGZVFWFLSA-N 1 0 374.416 3.775 20 5 FHBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cn1 ZINC000479054818 935780352 /nfs/dbraw/zinc/78/03/52/935780352.db2.gz DYTJDGHBOJAQLK-NSHDSACASA-N 1 0 350.216 3.646 20 5 FHBDRO COc1cc(C[NH2+]CC2(c3ccccc3)CCCC2)c([N+](=O)[O-])cc1O ZINC000509573508 945124789 /nfs/dbraw/zinc/12/47/89/945124789.db2.gz VFSBJVNXKFCORD-UHFFFAOYSA-N 1 0 356.422 3.911 20 5 FHBDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000479455536 935839631 /nfs/dbraw/zinc/83/96/31/935839631.db2.gz NSPHAYPNZHHFJR-AEFFLSMTSA-N 1 0 367.453 3.865 20 5 FHBDRO CCCN(CC[NH+]1CCCCC1)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000479562354 935857909 /nfs/dbraw/zinc/85/79/09/935857909.db2.gz KAUZTTCKJAIZQR-UHFFFAOYSA-N 1 0 362.474 3.941 20 5 FHBDRO CC[C@H]([NH2+]C[C@@H](c1cccc(OC)c1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000479871174 935909999 /nfs/dbraw/zinc/90/99/99/935909999.db2.gz GCJWWQROPMPKKW-PMACEKPBSA-N 1 0 357.454 3.947 20 5 FHBDRO O=[N+]([O-])c1ccc2ncnc(NC3CC[NH+](CC4CCCC4)CC3)c2c1 ZINC000611710254 935963576 /nfs/dbraw/zinc/96/35/76/935963576.db2.gz RDZBCUZJUYYQIH-UHFFFAOYSA-N 1 0 355.442 3.605 20 5 FHBDRO C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178650058 936030035 /nfs/dbraw/zinc/03/00/35/936030035.db2.gz GWVOQNQIJFWTRS-KUHUBIRLSA-N 1 0 369.421 3.563 20 5 FHBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC000582737690 936045118 /nfs/dbraw/zinc/04/51/18/936045118.db2.gz VMKOOWUFIZAJLE-SFHVURJKSA-N 1 0 353.422 3.933 20 5 FHBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000582747007 936071762 /nfs/dbraw/zinc/07/17/62/936071762.db2.gz ZQTXPXJYHILSSX-MAUKXSAKSA-N 1 0 371.485 3.832 20 5 FHBDRO CC[C@@H]([NH2+][C@H](C)C(=O)N1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000178671167 936154492 /nfs/dbraw/zinc/15/44/92/936154492.db2.gz SOPZZHCAVBOWBR-RDTXWAMCSA-N 1 0 353.422 3.613 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277918209 936174751 /nfs/dbraw/zinc/17/47/51/936174751.db2.gz PQSWSPQOHIABKK-OAHLLOKOSA-N 1 0 363.461 3.698 20 5 FHBDRO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000245524303 938302695 /nfs/dbraw/zinc/30/26/95/938302695.db2.gz NJOSELNDUSCYDR-RHSMWYFYSA-N 1 0 357.458 3.585 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000583888332 938467552 /nfs/dbraw/zinc/46/75/52/938467552.db2.gz IDYCSYZOSGKQGG-JKSUJKDBSA-N 1 0 364.442 3.928 20 5 FHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)Cc1ccccc1 ZINC000511245933 938491778 /nfs/dbraw/zinc/49/17/78/938491778.db2.gz GKGDJUNZPQHATC-LJQANCHMSA-N 1 0 369.465 3.586 20 5 FHBDRO CC(C)[N@H+](C)CC1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000536183616 938527797 /nfs/dbraw/zinc/52/77/97/938527797.db2.gz SEXBORGNGXWYBR-UHFFFAOYSA-N 1 0 357.401 3.753 20 5 FHBDRO Cc1cccc(-c2n[nH]cc2C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000584304282 938678523 /nfs/dbraw/zinc/67/85/23/938678523.db2.gz ODTYCTCDENIIMO-UHFFFAOYSA-N 1 0 350.422 3.968 20 5 FHBDRO Cn1cc(C[C@H]2CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)cn1 ZINC000093870211 938931138 /nfs/dbraw/zinc/93/11/38/938931138.db2.gz QUNNHHZTEKCZDW-OAHLLOKOSA-N 1 0 366.421 3.653 20 5 FHBDRO O=C(CC[NH2+]Cc1cc2ccccc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000548830511 938942876 /nfs/dbraw/zinc/94/28/76/938942876.db2.gz OZMVXLSBDKVXTM-UHFFFAOYSA-N 1 0 355.419 3.928 20 5 FHBDRO CCC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC)CC1 ZINC000128244787 938965254 /nfs/dbraw/zinc/96/52/54/938965254.db2.gz FVTUYPIUWBZYFB-UHFFFAOYSA-N 1 0 365.499 3.559 20 5 FHBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000431567492 938976144 /nfs/dbraw/zinc/97/61/44/938976144.db2.gz VMNCYWUCSWLXFF-KSSFIOAISA-N 1 0 372.469 3.707 20 5 FHBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cc1O ZINC000179139233 938979067 /nfs/dbraw/zinc/97/90/67/938979067.db2.gz HDQMCOVSOWFUGU-NVXWUHKLSA-N 1 0 356.422 3.810 20 5 FHBDRO O=[N+]([O-])c1cc(F)c(C[NH2+]C2(Cc3ccccc3)CCOCC2)c(F)c1 ZINC000451945494 939048772 /nfs/dbraw/zinc/04/87/72/939048772.db2.gz UZCBTCWGQMKCAD-UHFFFAOYSA-N 1 0 362.376 3.755 20 5 FHBDRO CN(c1ccccc1)c1ccc(C[NH2+]CC2(CO)CCC2)cc1[N+](=O)[O-] ZINC000612204148 939877674 /nfs/dbraw/zinc/87/76/74/939877674.db2.gz JUHLJHJJLMYWMX-UHFFFAOYSA-N 1 0 355.438 3.615 20 5 FHBDRO O=C1O[C@@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CN1c1ccccc1 ZINC000179520530 939880964 /nfs/dbraw/zinc/88/09/64/939880964.db2.gz UXGDNDQMTSEDAV-IBGZPJMESA-N 1 0 367.405 3.585 20 5 FHBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000614235855 939902291 /nfs/dbraw/zinc/90/22/91/939902291.db2.gz KVMRCZMCQMREOQ-HNNXBMFYSA-N 1 0 368.412 3.996 20 5 FHBDRO CC(C)c1ccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)cc1[N+](=O)[O-] ZINC000614660611 939920170 /nfs/dbraw/zinc/92/01/70/939920170.db2.gz NVYCKLCEOJVCHB-NRFANRHFSA-N 1 0 365.433 3.814 20 5 FHBDRO O=C(Nc1ccccc1)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000179744209 939930235 /nfs/dbraw/zinc/93/02/35/939930235.db2.gz KFXFQDIOLVOBPO-SOFGYWHQSA-N 1 0 365.433 3.959 20 5 FHBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451964111 939944204 /nfs/dbraw/zinc/94/42/04/939944204.db2.gz IRGRZEIKBFHTIW-FZKQIMNGSA-N 1 0 374.466 3.925 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000411178054 940007110 /nfs/dbraw/zinc/00/71/10/940007110.db2.gz XCVAIHPCCPBWPF-OAHLLOKOSA-N 1 0 371.437 3.933 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(c2ccccc2)CCC1 ZINC000411323136 940031581 /nfs/dbraw/zinc/03/15/81/940031581.db2.gz JJICXBZSURDNFX-UHFFFAOYSA-N 1 0 369.421 3.601 20 5 FHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000612432572 940065538 /nfs/dbraw/zinc/06/55/38/940065538.db2.gz ZXDOGILXFSFZFA-QGZVFWFLSA-N 1 0 355.438 3.842 20 5 FHBDRO CN(c1ccccc1)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000065956052 940107402 /nfs/dbraw/zinc/10/74/02/940107402.db2.gz LZRKKXZOROQVCJ-UHFFFAOYSA-N 1 0 355.438 3.574 20 5 FHBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000005603140 940116578 /nfs/dbraw/zinc/11/65/78/940116578.db2.gz SIECSGGEJJVNSS-UHFFFAOYSA-N 1 0 373.840 3.643 20 5 FHBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000612530858 940127214 /nfs/dbraw/zinc/12/72/14/940127214.db2.gz WSDWQROWVYLUPY-SYTFOFBDSA-N 1 0 353.378 3.779 20 5 FHBDRO COc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H](CO)C(C)C)cc1 ZINC000179929761 940135262 /nfs/dbraw/zinc/13/52/62/940135262.db2.gz BYMULMBERJVXJO-HXUWFJFHSA-N 1 0 358.438 3.623 20 5 FHBDRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000451989923 940148005 /nfs/dbraw/zinc/14/80/05/940148005.db2.gz CKIRDDWZQVOCQY-MDASCCDHSA-N 1 0 354.406 3.544 20 5 FHBDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000179987586 940205462 /nfs/dbraw/zinc/20/54/62/940205462.db2.gz WKFJSYMMURWYMG-NSHDSACASA-N 1 0 359.813 3.984 20 5 FHBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000782650911 940304109 /nfs/dbraw/zinc/30/41/09/940304109.db2.gz JMTUOMJJRHURTG-LLVKDONJSA-N 1 0 367.755 3.753 20 5 FHBDRO CC[NH+](CC)Cc1ccc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)o1 ZINC000612864209 940318690 /nfs/dbraw/zinc/31/86/90/940318690.db2.gz JGWMEETWTZZBGN-UHFFFAOYSA-N 1 0 356.382 3.670 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(c3ncccc3F)C1)CCCC2 ZINC000580412213 940474377 /nfs/dbraw/zinc/47/43/77/940474377.db2.gz HLMRMOAWBPUXKT-KXBFYZLASA-N 1 0 370.428 3.765 20 5 FHBDRO COc1cccc([C@@H](C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)N(C)C)c1 ZINC000120112769 940495264 /nfs/dbraw/zinc/49/52/64/940495264.db2.gz HCCOKFGXRXIHMJ-FOIQADDNSA-N 1 0 357.454 3.865 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000180136132 940679117 /nfs/dbraw/zinc/67/91/17/940679117.db2.gz PRNLVSZXBYMMHW-XDNSSPFJSA-N 1 0 365.477 3.923 20 5 FHBDRO CCC[C@@H]([NH2+]C[C@@H](CO)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000414173968 940710401 /nfs/dbraw/zinc/71/04/01/940710401.db2.gz HFEQCSUZTLUPKY-FXAWDEMLSA-N 1 0 358.438 3.810 20 5 FHBDRO CCC[C@H]([NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000310823818 940905338 /nfs/dbraw/zinc/90/53/38/940905338.db2.gz HIZXXMBNRZYBDD-CJNGLKHVSA-N 1 0 351.447 3.939 20 5 FHBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000066676485 940993284 /nfs/dbraw/zinc/99/32/84/940993284.db2.gz ZGIKWBHCYOIMEE-UHFFFAOYSA-N 1 0 373.478 3.641 20 5 FHBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000180402681 940999737 /nfs/dbraw/zinc/99/97/37/940999737.db2.gz CXSUHBHAPUYTML-FOIQADDNSA-N 1 0 366.417 3.839 20 5 FHBDRO CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180393355 941003346 /nfs/dbraw/zinc/00/33/46/941003346.db2.gz QNVDRWPZZYSFBA-YJBOKZPZSA-N 1 0 358.438 3.809 20 5 FHBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000255908547 941009851 /nfs/dbraw/zinc/00/98/51/941009851.db2.gz FIKNKMKIUPMEST-XFXZXTDPSA-N 1 0 365.433 3.520 20 5 FHBDRO CCc1ccc([C@H]([NH2+][C@H]2CCC[C@H](CO)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414347650 941021445 /nfs/dbraw/zinc/02/14/45/941021445.db2.gz WBAOBVGXZXYESB-DKICVRJWSA-N 1 0 358.438 3.980 20 5 FHBDRO CCOc1cccc([C@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000180696109 941064719 /nfs/dbraw/zinc/06/47/19/941064719.db2.gz JYLZTSOPZNACQW-AWEZNQCLSA-N 1 0 357.410 3.591 20 5 FHBDRO CCOc1cccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000180718280 941068506 /nfs/dbraw/zinc/06/85/06/941068506.db2.gz LAVNLRHPQHWYIO-AWEZNQCLSA-N 1 0 357.410 3.673 20 5 FHBDRO CC[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000180741423 941070722 /nfs/dbraw/zinc/07/07/22/941070722.db2.gz QLTUIDADNNMCDA-IBGZPJMESA-N 1 0 361.486 3.671 20 5 FHBDRO O=C(CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000472607926 941084568 /nfs/dbraw/zinc/08/45/68/941084568.db2.gz OAFGGDDRAUTIDD-MSOLQXFVSA-N 1 0 367.449 3.924 20 5 FHBDRO CC[C@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1cccc([N+](=O)[O-])c1 ZINC000180864216 941086787 /nfs/dbraw/zinc/08/67/87/941086787.db2.gz CIINRJXEKGUQMF-INIZCTEOSA-N 1 0 356.401 3.904 20 5 FHBDRO CCCOc1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c(C)c1 ZINC000188794392 941089442 /nfs/dbraw/zinc/08/94/42/941089442.db2.gz QHSLEXPXBZSWNG-UHFFFAOYSA-N 1 0 374.437 3.999 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CC[C@H](O)C3)o2)c(Cl)c1 ZINC000188822478 941096626 /nfs/dbraw/zinc/09/66/26/941096626.db2.gz DOFKIAYKBDXRTI-YPMHNXCESA-N 1 0 350.802 3.759 20 5 FHBDRO CC(C)[N@H+](CCOCC(F)(F)C(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC000188879400 941127689 /nfs/dbraw/zinc/12/76/89/941127689.db2.gz JWLSMZOTAAPDBI-UHFFFAOYSA-N 1 0 352.328 3.722 20 5 FHBDRO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000311192853 941133008 /nfs/dbraw/zinc/13/30/08/941133008.db2.gz FCICJWLVILTQFW-KBPBESRZSA-N 1 0 351.447 3.939 20 5 FHBDRO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC1([NH+](C)C)CCC1 ZINC000189007201 941143216 /nfs/dbraw/zinc/14/32/16/941143216.db2.gz SOHAKDROWMORBA-UHFFFAOYSA-N 1 0 360.483 3.634 20 5 FHBDRO CC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000189077544 941146510 /nfs/dbraw/zinc/14/65/10/941146510.db2.gz YQQUMCPWIPYJFT-UXHICEINSA-N 1 0 367.449 3.745 20 5 FHBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000177755083 941149073 /nfs/dbraw/zinc/14/90/73/941149073.db2.gz PYVKGXAVEWLOFP-CVEARBPZSA-N 1 0 359.470 3.591 20 5 FHBDRO CCS[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000189495835 941159273 /nfs/dbraw/zinc/15/92/73/941159273.db2.gz ABAMJKIRVDYPMH-ZBFHGGJFSA-N 1 0 351.472 3.577 20 5 FHBDRO CCS[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000189510838 941159449 /nfs/dbraw/zinc/15/94/49/941159449.db2.gz VPMXWYZXDFEOCI-SJORKVTESA-N 1 0 365.499 3.886 20 5 FHBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000189510473 941159535 /nfs/dbraw/zinc/15/95/35/941159535.db2.gz RNLBEVNBXPETGG-LSDHHAIUSA-N 1 0 371.890 3.841 20 5 FHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000189595567 941213479 /nfs/dbraw/zinc/21/34/79/941213479.db2.gz DTZNRPCLCZHDIO-SMDDNHRTSA-N 1 0 366.767 3.821 20 5 FHBDRO Cn1ncc2c1CCC[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000414470314 941287599 /nfs/dbraw/zinc/28/75/99/941287599.db2.gz IQPWMBPXQSKLDT-UHFFFAOYSA-N 1 0 352.394 3.537 20 5 FHBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000178678084 941294442 /nfs/dbraw/zinc/29/44/42/941294442.db2.gz OSODXPWGBDTNGC-UTKZUKDTSA-N 1 0 359.473 3.944 20 5 FHBDRO Cn1ncc2c1CCC[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000414474774 941301726 /nfs/dbraw/zinc/30/17/26/941301726.db2.gz SYYAIJJLWFOLBV-UHFFFAOYSA-N 1 0 352.394 3.537 20 5 FHBDRO CC(=O)c1ccc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000311684174 941360026 /nfs/dbraw/zinc/36/00/26/941360026.db2.gz JGEREOGQGVLVKL-GOSISDBHSA-N 1 0 353.422 3.508 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3C[C@H](C)O[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414516390 941370618 /nfs/dbraw/zinc/37/06/18/941370618.db2.gz OTUKKKIOWPGEBU-MJBXVCDLSA-N 1 0 360.410 3.767 20 5 FHBDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000414553755 941378032 /nfs/dbraw/zinc/37/80/32/941378032.db2.gz JXGODDLVARRDPN-YOEHRIQHSA-N 1 0 372.421 3.514 20 5 FHBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2ccnc(-c3ccccc3)c2[N+](=O)[O-])n1 ZINC000414621779 941415675 /nfs/dbraw/zinc/41/56/75/941415675.db2.gz MDNFJAUBNPGZRL-CQSZACIVSA-N 1 0 353.382 3.753 20 5 FHBDRO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000414656398 941428763 /nfs/dbraw/zinc/42/87/63/941428763.db2.gz FOVKQOFRIBGDDV-WBVHZDCISA-N 1 0 354.454 3.532 20 5 FHBDRO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000311925128 941652006 /nfs/dbraw/zinc/65/20/06/941652006.db2.gz FLDQYKRKBXMKBC-GUYCJALGSA-N 1 0 373.840 3.641 20 5 FHBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415192841 941662117 /nfs/dbraw/zinc/66/21/17/941662117.db2.gz LGWOJPGYHMFPEK-UGSOOPFHSA-N 1 0 370.409 3.507 20 5 FHBDRO COc1cc(NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000311959456 941706371 /nfs/dbraw/zinc/70/63/71/941706371.db2.gz IZXILAIWPDANFA-HXUWFJFHSA-N 1 0 355.438 3.928 20 5 FHBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000182344458 941806050 /nfs/dbraw/zinc/80/60/50/941806050.db2.gz GAEJZSLRCQIYKO-CQSZACIVSA-N 1 0 357.410 3.591 20 5 FHBDRO C[N@@H+](Cc1cc(=O)oc2ccc3ccccc3c12)C[C@@H]1CCn2ccnc2C1 ZINC000377651081 941865416 /nfs/dbraw/zinc/86/54/16/941865416.db2.gz MZNKVOZXMYXZGQ-MRXNPFEDSA-N 1 0 373.456 3.837 20 5 FHBDRO CCCCCNC(=O)C1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182653184 941958277 /nfs/dbraw/zinc/95/82/77/941958277.db2.gz HUKLTLKTDKQJMH-MRXNPFEDSA-N 1 0 361.486 3.983 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H](Cc3ccccc3)C3CC3)n2)c1 ZINC000181556032 941982821 /nfs/dbraw/zinc/98/28/21/941982821.db2.gz VXMXONRYISOGHE-GOSISDBHSA-N 1 0 364.405 3.756 20 5 FHBDRO Cc1ncc(CN2CC[C@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)[C@H](C)C2)s1 ZINC000377794221 941997064 /nfs/dbraw/zinc/99/70/64/941997064.db2.gz XWTAXXFNZONUCY-KDOFPFPSSA-N 1 0 374.510 3.668 20 5 FHBDRO CC(C)[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000110214390 942024732 /nfs/dbraw/zinc/02/47/32/942024732.db2.gz CCHJCYAWLCKOAP-MRXNPFEDSA-N 1 0 367.877 3.735 20 5 FHBDRO C[NH2+]Cc1ccccc1NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000415902745 942129586 /nfs/dbraw/zinc/12/95/86/942129586.db2.gz PHMRTIXYRZIPQF-KRWDZBQOSA-N 1 0 368.437 3.726 20 5 FHBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000237126277 942173985 /nfs/dbraw/zinc/17/39/85/942173985.db2.gz LFKBOFCUXPFZIF-HNNXBMFYSA-N 1 0 365.499 3.557 20 5 FHBDRO Cc1ccc([C@@H](CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[NH+](C)C)cc1 ZINC000085635571 942251727 /nfs/dbraw/zinc/25/17/27/942251727.db2.gz FUAYVQSHIDHDKP-GOSISDBHSA-N 1 0 370.453 3.944 20 5 FHBDRO Cc1cccc([C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000501010165 942256311 /nfs/dbraw/zinc/25/63/11/942256311.db2.gz IIOKVKKAEQWRAP-QGZVFWFLSA-N 1 0 353.422 3.721 20 5 FHBDRO Cc1nc2c(s1)[C@H]([N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-])CCC2 ZINC000501017009 942263983 /nfs/dbraw/zinc/26/39/83/942263983.db2.gz YIRAIJDLXPZVBO-MRXNPFEDSA-N 1 0 374.466 3.698 20 5 FHBDRO Cc1nc2c(s1)[C@@H]([N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-])CCC2 ZINC000501017008 942264198 /nfs/dbraw/zinc/26/41/98/942264198.db2.gz YIRAIJDLXPZVBO-INIZCTEOSA-N 1 0 374.466 3.698 20 5 FHBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000420948698 942271763 /nfs/dbraw/zinc/27/17/63/942271763.db2.gz OCJINVDHCFNNOP-GFCCVEGCSA-N 1 0 362.348 3.647 20 5 FHBDRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000413112121 942308985 /nfs/dbraw/zinc/30/89/85/942308985.db2.gz UUHFJLZBIDBFNM-UHFFFAOYSA-N 1 0 365.433 3.784 20 5 FHBDRO Cc1cccc(NC[C@H]2CCN(c3ccc([N+](=O)[O-])c4ncccc34)C2)[nH+]1 ZINC000413116232 942311504 /nfs/dbraw/zinc/31/15/04/942311504.db2.gz YJSDFLLJXUOFSL-OAHLLOKOSA-N 1 0 363.421 3.785 20 5 FHBDRO COc1ccc(C[NH2+][C@H](C)Cc2cc(OC)c(OC)cc2C)cc1[N+](=O)[O-] ZINC000502260071 942319813 /nfs/dbraw/zinc/31/98/13/942319813.db2.gz XPDHQZGYHXBWTR-CQSZACIVSA-N 1 0 374.437 3.650 20 5 FHBDRO C[NH+](C)[C@@H](CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1CC1 ZINC000237172233 942403166 /nfs/dbraw/zinc/40/31/66/942403166.db2.gz OELUVVCDIFFNMK-IBGZPJMESA-N 1 0 373.428 3.956 20 5 FHBDRO C[N@@H+]1CCCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000501354411 942429420 /nfs/dbraw/zinc/42/94/20/942429420.db2.gz KJIUWXLJCMKESE-UHFFFAOYSA-N 1 0 370.409 3.557 20 5 FHBDRO O=[N+]([O-])c1cnc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c(F)c1 ZINC000413185600 942438399 /nfs/dbraw/zinc/43/83/99/942438399.db2.gz QPMWYYAAVLROLV-FQEVSTJZSA-N 1 0 370.428 3.621 20 5 FHBDRO COc1ccc(C[N@@H+]2CCCN(Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000505274969 942440690 /nfs/dbraw/zinc/44/06/90/942440690.db2.gz WRPIMFBZBIQHBX-UHFFFAOYSA-N 1 0 369.465 3.620 20 5 FHBDRO O=[N+]([O-])c1ccc2ccnc(NCC3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC000413224664 942503392 /nfs/dbraw/zinc/50/33/92/942503392.db2.gz MXZQJFMKZYJGLR-UHFFFAOYSA-N 1 0 363.421 3.867 20 5 FHBDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CCO1 ZINC000421370677 942520788 /nfs/dbraw/zinc/52/07/88/942520788.db2.gz CEJHWDCXJINSHV-KBPBESRZSA-N 1 0 360.410 3.911 20 5 FHBDRO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CC12CCSCC2)c1ccc([N+](=O)[O-])cc1 ZINC000421392021 942543571 /nfs/dbraw/zinc/54/35/71/942543571.db2.gz WYTMWADEZJZQMD-DOTOQJQBSA-N 1 0 372.494 3.541 20 5 FHBDRO CC[C@@H]1C[C@@]1([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(C)c1 ZINC000502566829 942548011 /nfs/dbraw/zinc/54/80/11/942548011.db2.gz SJVXDCKNQDAHAG-IERDGZPVSA-N 1 0 367.449 3.781 20 5 FHBDRO C[NH+](C)C(C)(C)CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237079573 942555323 /nfs/dbraw/zinc/55/53/23/942555323.db2.gz HZTUBFLTSLOWEC-UHFFFAOYSA-N 1 0 361.417 3.956 20 5 FHBDRO COC1([C@@H](C)[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCOCC1 ZINC000421406878 942555873 /nfs/dbraw/zinc/55/58/73/942555873.db2.gz UXYXEHFSZCXRKV-CQSZACIVSA-N 1 0 360.410 3.529 20 5 FHBDRO COC1([C@@H](C)[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOCC1 ZINC000421408177 942558201 /nfs/dbraw/zinc/55/82/01/942558201.db2.gz XJWWLUADVAWWKQ-CQSZACIVSA-N 1 0 360.410 3.529 20 5 FHBDRO C[NH+](C)CCc1ccc(CNc2nccc3ccc([N+](=O)[O-])cc32)cc1 ZINC000413256044 942568900 /nfs/dbraw/zinc/56/89/00/942568900.db2.gz KYPHBNHLPZOHEP-UHFFFAOYSA-N 1 0 350.422 3.859 20 5 FHBDRO [NH3+][C@H]1CCC[C@@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000420275854 942600838 /nfs/dbraw/zinc/60/08/38/942600838.db2.gz HCXGPMPLBPPAHC-BDAKNGLRSA-N 1 0 368.306 3.573 20 5 FHBDRO [NH3+][C@H]1CCC[C@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000420275856 942600959 /nfs/dbraw/zinc/60/09/59/942600959.db2.gz HCXGPMPLBPPAHC-IUCAKERBSA-N 1 0 368.306 3.573 20 5 FHBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000420281670 942602416 /nfs/dbraw/zinc/60/24/16/942602416.db2.gz MHWGRTYOXUEADP-CZUORRHYSA-N 1 0 374.268 3.624 20 5 FHBDRO O=C(C[NH2+][C@H](c1ccc(F)cc1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000104706346 942618465 /nfs/dbraw/zinc/61/84/65/942618465.db2.gz CXVVERISHGEVJZ-IBGZPJMESA-N 1 0 357.385 3.803 20 5 FHBDRO O=C(C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000104706343 942618999 /nfs/dbraw/zinc/61/89/99/942618999.db2.gz CXVVERISHGEVJZ-LJQANCHMSA-N 1 0 357.385 3.803 20 5 FHBDRO CCC1(CNC(=O)c2ccc([N+](=O)[O-])o2)CC[NH+](Cc2ccccc2)CC1 ZINC000514053441 942708084 /nfs/dbraw/zinc/70/80/84/942708084.db2.gz UMBKUYAKGJYXGE-UHFFFAOYSA-N 1 0 371.437 3.610 20 5 FHBDRO CCCC[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000434576432 942774772 /nfs/dbraw/zinc/77/47/72/942774772.db2.gz UFRILTAGESFKIT-UHFFFAOYSA-N 1 0 374.466 3.921 20 5 FHBDRO Cc1ccccc1C[C@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000514169911 942796630 /nfs/dbraw/zinc/79/66/30/942796630.db2.gz METVGFAJLONEIP-HXUWFJFHSA-N 1 0 367.449 3.573 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C1(OC)CCOCC1 ZINC000421856314 942848750 /nfs/dbraw/zinc/84/87/50/942848750.db2.gz AMACIRYRYJUDOU-GJZGRUSLSA-N 1 0 368.499 3.639 20 5 FHBDRO C[NH+](C)C1CCC(Oc2cc([N+](=O)[O-])c(F)cc2Br)CC1 ZINC001225756633 942958990 /nfs/dbraw/zinc/95/89/90/942958990.db2.gz LYIPYSUCIZDPMY-UHFFFAOYSA-N 1 0 361.211 3.748 20 5 FHBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000024927815 943043677 /nfs/dbraw/zinc/04/36/77/943043677.db2.gz CWDZZWRPSSVWRU-UHFFFAOYSA-N 1 0 367.409 3.565 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)cnc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000434943802 943057871 /nfs/dbraw/zinc/05/78/71/943057871.db2.gz RWAVFLWZKVKRJH-UHFFFAOYSA-N 1 0 360.845 3.762 20 5 FHBDRO Cc1cc(N2CC[C@@H](c3nc(C4CC4)no3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000425255390 943065113 /nfs/dbraw/zinc/06/51/13/943065113.db2.gz PKRHPUBWRDHQGW-CYBMUJFWSA-N 1 0 365.393 3.706 20 5 FHBDRO CC(C)(C)[NH+]1CCC(Oc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC001225660467 943110384 /nfs/dbraw/zinc/11/03/84/943110384.db2.gz FLYAPYOXGPQUOW-UHFFFAOYSA-N 1 0 357.248 3.999 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000236848134 943125200 /nfs/dbraw/zinc/12/52/00/943125200.db2.gz BYTWVOAMAFWRLZ-GOSISDBHSA-N 1 0 373.453 3.903 20 5 FHBDRO CCN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435374114 943356826 /nfs/dbraw/zinc/35/68/26/943356826.db2.gz WIKPSJIYGZUSLC-MRXNPFEDSA-N 1 0 360.483 3.682 20 5 FHBDRO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000435379940 943369642 /nfs/dbraw/zinc/36/96/42/943369642.db2.gz LNKJOWXEWQBFEJ-ZFWWWQNUSA-N 1 0 359.401 3.695 20 5 FHBDRO O=[N+]([O-])c1cc(CN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435423287 943403356 /nfs/dbraw/zinc/40/33/56/943403356.db2.gz SKERGMAAUUMGRR-OAHLLOKOSA-N 1 0 363.508 3.862 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)[C@H]3CCCOC3)o2)c([N+](=O)[O-])c1 ZINC000503891075 943405698 /nfs/dbraw/zinc/40/56/98/943405698.db2.gz HIUPEPKIQHJQDP-KBPBESRZSA-N 1 0 360.410 3.768 20 5 FHBDRO COc1cccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]2CCCO2)c1 ZINC000053232650 943414826 /nfs/dbraw/zinc/41/48/26/943414826.db2.gz ZOGJZUDEWYEEHJ-FQEVSTJZSA-N 1 0 356.422 3.785 20 5 FHBDRO CCc1ccc([C@@H](NC[C@@]2(C)CCC[NH2+]C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423344967 943478666 /nfs/dbraw/zinc/47/86/66/943478666.db2.gz OPZCETKBCAPYEP-PMACEKPBSA-N 1 0 357.454 3.819 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1OCCO)CCCC2 ZINC000417301707 943495083 /nfs/dbraw/zinc/49/50/83/943495083.db2.gz BVYCJLDCFINCJD-LJQANCHMSA-N 1 0 356.422 3.523 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1nnc3n1CCCCC3)CCCC2 ZINC000417302352 943496017 /nfs/dbraw/zinc/49/60/17/943496017.db2.gz BCZSCDGOGXEIKE-SFHVURJKSA-N 1 0 369.469 3.513 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)CCCC2 ZINC000417309068 943507259 /nfs/dbraw/zinc/50/72/59/943507259.db2.gz DGHDQEUMIGCTNE-QGZVFWFLSA-N 1 0 371.403 3.979 20 5 FHBDRO CCOc1ccc([C@@H](C)NC[C@@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000423446943 943513477 /nfs/dbraw/zinc/51/34/77/943513477.db2.gz ZMFAAWHZXQBFDB-KDOFPFPSSA-N 1 0 355.438 3.531 20 5 FHBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)[C@@H]1n1cccn1 ZINC000417346921 943526953 /nfs/dbraw/zinc/52/69/53/943526953.db2.gz GEYFQJIXPCRUHN-WCIQWLHISA-N 1 0 370.453 3.567 20 5 FHBDRO CC(C)CCSc1ccc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000504179176 943529688 /nfs/dbraw/zinc/52/96/88/943529688.db2.gz VNYDPQUKSGHBSR-KGLIPLIRSA-N 1 0 365.499 3.542 20 5 FHBDRO O=C(NCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccccc1F ZINC000417345353 943533446 /nfs/dbraw/zinc/53/34/46/943533446.db2.gz UCQOBYCKSSOMBK-LJQANCHMSA-N 1 0 371.412 3.521 20 5 FHBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000515184417 943540265 /nfs/dbraw/zinc/54/02/65/943540265.db2.gz MBLVAIIJEQZNPP-CJNGLKHVSA-N 1 0 358.417 3.572 20 5 FHBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2CCN(CC(F)F)C2)c2ccccc2)c1 ZINC000417389989 943567349 /nfs/dbraw/zinc/56/73/49/943567349.db2.gz QEDBRSSUOVWECR-QFBILLFUSA-N 1 0 361.392 3.613 20 5 FHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000566476021 943571324 /nfs/dbraw/zinc/57/13/24/943571324.db2.gz SCDXEGUKPSNJTM-HZUKXOBISA-N 1 0 358.360 3.655 20 5 FHBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000423970413 943661327 /nfs/dbraw/zinc/66/13/27/943661327.db2.gz MVJGODBZYVTBRT-KBXCAEBGSA-N 1 0 373.478 3.672 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000423975514 943666747 /nfs/dbraw/zinc/66/67/47/943666747.db2.gz CVXDONKBOHGLDU-UHFFFAOYSA-N 1 0 374.466 3.696 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000504591734 943703461 /nfs/dbraw/zinc/70/34/61/943703461.db2.gz JOTWUUMGKWQYFQ-KGLIPLIRSA-N 1 0 365.499 3.652 20 5 FHBDRO CC(C)c1ccc(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1[N+](=O)[O-] ZINC000424047224 943704313 /nfs/dbraw/zinc/70/43/13/943704313.db2.gz WZIMPICOJISKOQ-GOSISDBHSA-N 1 0 359.470 3.568 20 5 FHBDRO COc1ccc(C[NH2+][C@H]2CC23CC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000424188139 943777508 /nfs/dbraw/zinc/77/75/08/943777508.db2.gz WWZDYLVKDWKFJR-IBGZPJMESA-N 1 0 354.406 3.825 20 5 FHBDRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)CCN2C2CC2)c1 ZINC000549476713 943813207 /nfs/dbraw/zinc/81/32/07/943813207.db2.gz HBGSBJBLAVKBIA-LEWJYISDSA-N 1 0 367.449 3.671 20 5 FHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@]1(F)c1ccccc1 ZINC000424319104 943842034 /nfs/dbraw/zinc/84/20/34/943842034.db2.gz DPSIYWTZXQGTBS-XVSDVWIESA-N 1 0 357.385 3.539 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000504899459 943875908 /nfs/dbraw/zinc/87/59/08/943875908.db2.gz GYMKNYLEDGXIBD-UCLAIMLFSA-N 1 0 358.463 3.713 20 5 FHBDRO Cn1cc(C[N@H+](C)C2Cc3ccccc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000511640145 943898157 /nfs/dbraw/zinc/89/81/57/943898157.db2.gz LBJXTAWLISUJIB-UHFFFAOYSA-N 1 0 362.433 3.595 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(OCc3ccncc3)cc2)cc1 ZINC000105448278 943953739 /nfs/dbraw/zinc/95/37/39/943953739.db2.gz SRCTXCCIXPSAFA-UHFFFAOYSA-N 1 0 363.417 3.901 20 5 FHBDRO CC[C@H](C)c1ccc([C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)cc1 ZINC000437636095 943981549 /nfs/dbraw/zinc/98/15/49/943981549.db2.gz MXLIEVWMIJZYSY-CWFSZBLJSA-N 1 0 374.485 3.653 20 5 FHBDRO CC(C)[N@H+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000584516404 944050329 /nfs/dbraw/zinc/05/03/29/944050329.db2.gz BSLPMNYONSUJSV-UHFFFAOYSA-N 1 0 360.380 3.565 20 5 FHBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000500092034 944082822 /nfs/dbraw/zinc/08/28/22/944082822.db2.gz ORLYEKBBWJANKZ-AWEZNQCLSA-N 1 0 357.410 3.712 20 5 FHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000274415742 944165718 /nfs/dbraw/zinc/16/57/18/944165718.db2.gz JFSLLPYHNGZVJD-UHFFFAOYSA-N 1 0 361.829 3.563 20 5 FHBDRO Cc1c([C@H](C)[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000436292657 944178449 /nfs/dbraw/zinc/17/84/49/944178449.db2.gz BTVIZTNTJCQJKA-BBWFWOEESA-N 1 0 359.470 3.735 20 5 FHBDRO CSc1ccc(CC[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000436296559 944181248 /nfs/dbraw/zinc/18/12/48/944181248.db2.gz KDMLDCODJQFWHV-CQSZACIVSA-N 1 0 373.478 3.866 20 5 FHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000436298466 944182406 /nfs/dbraw/zinc/18/24/06/944182406.db2.gz ZSNYMCQVRXWABC-DDUZABMNSA-N 1 0 371.412 3.987 20 5 FHBDRO CC(C)[C@@H](CO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000566583794 944186146 /nfs/dbraw/zinc/18/61/46/944186146.db2.gz GRTBUYMTCCFBIM-GFCCVEGCSA-N 1 0 352.818 3.862 20 5 FHBDRO CCC[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000436313906 944193643 /nfs/dbraw/zinc/19/36/43/944193643.db2.gz XWEODWKKMKZNKP-ZIFCJYIRSA-N 1 0 359.470 3.817 20 5 FHBDRO C[NH+](C)[C@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])c1ccsc1 ZINC000436318062 944197049 /nfs/dbraw/zinc/19/70/49/944197049.db2.gz NXYODOSEVQYNEY-LLVKDONJSA-N 1 0 360.361 3.785 20 5 FHBDRO C[C@H]1CCC[N@H+](CCCCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436324205 944201594 /nfs/dbraw/zinc/20/15/94/944201594.db2.gz VBXDNHDNUIIDGI-LBPRGKRZSA-N 1 0 360.380 3.933 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000436309727 944205783 /nfs/dbraw/zinc/20/57/83/944205783.db2.gz PJIWNMBUSVEAMT-JQHSSLGASA-N 1 0 359.470 3.735 20 5 FHBDRO O=C(CC[NH2+][C@@H]1CCc2cc(Cl)ccc21)Nc1ccccc1[N+](=O)[O-] ZINC000584541363 944208296 /nfs/dbraw/zinc/20/82/96/944208296.db2.gz FGRMIPXZTAPLKR-OAHLLOKOSA-N 1 0 359.813 3.854 20 5 FHBDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1(C)C ZINC000436376471 944245973 /nfs/dbraw/zinc/24/59/73/944245973.db2.gz HUWLGEYRIHQRQA-QUCCMNQESA-N 1 0 374.437 3.511 20 5 FHBDRO COCCOCc1ccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000894566390 944266290 /nfs/dbraw/zinc/26/62/90/944266290.db2.gz NJOREXPEGNSMLY-UHFFFAOYSA-N 1 0 364.829 3.701 20 5 FHBDRO Cc1ccc([C@@H]2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cc1 ZINC000543245190 944335133 /nfs/dbraw/zinc/33/51/33/944335133.db2.gz DIWLRDVAHSLYPG-OAHLLOKOSA-N 1 0 373.840 3.985 20 5 FHBDRO CCOc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000425559243 944340814 /nfs/dbraw/zinc/34/08/14/944340814.db2.gz ZCKQVAKROHQNFZ-IBGZPJMESA-N 1 0 360.454 3.775 20 5 FHBDRO CCOc1cc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000425559244 944340856 /nfs/dbraw/zinc/34/08/56/944340856.db2.gz ZCKQVAKROHQNFZ-LJQANCHMSA-N 1 0 360.454 3.775 20 5 FHBDRO COc1cc(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c([N+](=O)[O-])cc1F ZINC000184270696 944372709 /nfs/dbraw/zinc/37/27/09/944372709.db2.gz OQLSZBFEKLPESR-IBGZPJMESA-N 1 0 374.412 3.516 20 5 FHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cc(-c3ccccc3)on2)n1 ZINC000425955364 944391134 /nfs/dbraw/zinc/39/11/34/944391134.db2.gz ZDOUIHXMCCBVAH-IAGOWNOFSA-N 1 0 367.409 3.720 20 5 FHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000426294860 944399469 /nfs/dbraw/zinc/39/94/69/944399469.db2.gz SIKLYZDBGQSZPJ-OAHLLOKOSA-N 1 0 365.433 3.558 20 5 FHBDRO O=[N+]([O-])c1ccc(NCC[N@@H+]2CCc3sccc3C2)c2ccncc21 ZINC000053580151 944401850 /nfs/dbraw/zinc/40/18/50/944401850.db2.gz CPAJAMBUSCABQO-UHFFFAOYSA-N 1 0 354.435 3.675 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)o1 ZINC000123703916 944411885 /nfs/dbraw/zinc/41/18/85/944411885.db2.gz SCJXZVSRZKSHAR-HOCLYGCPSA-N 1 0 370.327 3.742 20 5 FHBDRO Cc1cc2[nH]c(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2c(C)c1 ZINC000425960535 944414942 /nfs/dbraw/zinc/41/49/42/944414942.db2.gz XPYWLOUCCOYSMZ-UHFFFAOYSA-N 1 0 353.426 3.727 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000123846252 944444500 /nfs/dbraw/zinc/44/45/00/944444500.db2.gz VHOIUGLSQDCHDC-NVXWUHKLSA-N 1 0 359.470 3.735 20 5 FHBDRO CC(C)c1ccc(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000439246895 944461239 /nfs/dbraw/zinc/46/12/39/944461239.db2.gz NQVJZZKVBNIIOB-UHFFFAOYSA-N 1 0 355.438 3.710 20 5 FHBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000518525633 944471934 /nfs/dbraw/zinc/47/19/34/944471934.db2.gz YHTPDPXKTNSJCL-GFCCVEGCSA-N 1 0 368.865 3.880 20 5 FHBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426333729 944478776 /nfs/dbraw/zinc/47/87/76/944478776.db2.gz JBGHENUBDKTKBI-HOTGVXAUSA-N 1 0 374.485 3.532 20 5 FHBDRO Cc1ccc(OC(F)F)c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000425976649 944482896 /nfs/dbraw/zinc/48/28/96/944482896.db2.gz HLRCKSGZCUUUGT-UHFFFAOYSA-N 1 0 366.368 3.538 20 5 FHBDRO CCN(C(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C)c1ccccc1 ZINC000518579793 944504841 /nfs/dbraw/zinc/50/48/41/944504841.db2.gz WKBPODNCENMHOB-UHFFFAOYSA-N 1 0 355.438 3.858 20 5 FHBDRO Cc1cc(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)cc([N+](=O)[O-])c1 ZINC000517685809 944512458 /nfs/dbraw/zinc/51/24/58/944512458.db2.gz HRSVTSQQDMBMGH-UHFFFAOYSA-N 1 0 355.438 3.673 20 5 FHBDRO CC1(C)CCC[C@@](O)(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000438350958 944514980 /nfs/dbraw/zinc/51/49/80/944514980.db2.gz ZIDFYDNJBWSKSB-KRWDZBQOSA-N 1 0 358.385 3.617 20 5 FHBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000025071293 944545620 /nfs/dbraw/zinc/54/56/20/944545620.db2.gz ZDOVEGGINZZNJS-UHFFFAOYSA-N 1 0 363.364 3.642 20 5 FHBDRO COc1cc(C[NH2+][C@H](C)c2cccc(-n3cccn3)c2)c([N+](=O)[O-])cc1F ZINC000184308170 944565288 /nfs/dbraw/zinc/56/52/88/944565288.db2.gz QFJOIFJJGJOCJK-CYBMUJFWSA-N 1 0 370.384 3.779 20 5 FHBDRO COc1cc(C[NH2+][C@H](C)c2ccccc2-n2cccn2)c([N+](=O)[O-])cc1F ZINC000184308026 944565382 /nfs/dbraw/zinc/56/53/82/944565382.db2.gz MQERDFSSIJSPKJ-CYBMUJFWSA-N 1 0 370.384 3.779 20 5 FHBDRO CCc1ccc([C@@H](CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000843759033 944580003 /nfs/dbraw/zinc/58/00/03/944580003.db2.gz YUYDWJCIIZTHTM-GOSISDBHSA-N 1 0 373.428 3.637 20 5 FHBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@H](COc4ccccc4)C3)nc2c1 ZINC000505875341 944580635 /nfs/dbraw/zinc/58/06/35/944580635.db2.gz VILNLLFEKXMPMV-AWEZNQCLSA-N 1 0 353.378 3.637 20 5 FHBDRO COCC1(C[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CCC1 ZINC000500368621 944655815 /nfs/dbraw/zinc/65/58/15/944655815.db2.gz FEDXJJSDRHRSRZ-UHFFFAOYSA-N 1 0 360.410 3.770 20 5 FHBDRO CSc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000439486808 944665615 /nfs/dbraw/zinc/66/56/15/944665615.db2.gz PLNGYNSIXMBINZ-CYBMUJFWSA-N 1 0 359.451 3.996 20 5 FHBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1c(F)ccc(Br)c1F ZINC000500371814 944670423 /nfs/dbraw/zinc/67/04/23/944670423.db2.gz NAOLAMFFCZIPSD-UHFFFAOYSA-N 1 0 371.181 3.968 20 5 FHBDRO COc1ccc(OCC[NH2+][C@H](C)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000438622316 944855682 /nfs/dbraw/zinc/85/56/82/944855682.db2.gz GPZSLCDASOLYDM-GFCCVEGCSA-N 1 0 350.802 3.986 20 5 FHBDRO COc1ccc(CCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1OC ZINC000516490270 944936026 /nfs/dbraw/zinc/93/60/26/944936026.db2.gz FXBQULCFQUJNEJ-KRWDZBQOSA-N 1 0 356.422 3.822 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000506329391 944947296 /nfs/dbraw/zinc/94/72/96/944947296.db2.gz ZMSGBCNAXDLVCF-OAHLLOKOSA-N 1 0 362.813 3.997 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@@H+](CCO)C2CC2)cc1 ZINC000507109153 944959574 /nfs/dbraw/zinc/95/95/74/944959574.db2.gz BEMWMOFGKFUXJM-UHFFFAOYSA-N 1 0 362.813 3.997 20 5 FHBDRO C[C@@H](CO[C@H]1CCOC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000151204339 944974115 /nfs/dbraw/zinc/97/41/15/944974115.db2.gz XITIZYVZHLLZQB-BBRMVZONSA-N 1 0 362.451 3.607 20 5 FHBDRO CSCc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000437094034 945014058 /nfs/dbraw/zinc/01/40/58/945014058.db2.gz HFRHIDOZWDIFIJ-AWEZNQCLSA-N 1 0 373.478 3.965 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000414948940 945018071 /nfs/dbraw/zinc/01/80/71/945018071.db2.gz MXRQDQXRMQCFIA-BLWBWXFKSA-N 1 0 373.403 3.622 20 5 FHBDRO C[C@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000110698462 945053761 /nfs/dbraw/zinc/05/37/61/945053761.db2.gz XMKZXPQYNIEUBB-CQSZACIVSA-N 1 0 368.437 3.551 20 5 FHBDRO CC(=O)N1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC12CCCCC2 ZINC000408144129 945426357 /nfs/dbraw/zinc/42/63/57/945426357.db2.gz GVZMOUWJBDUDGW-MRXNPFEDSA-N 1 0 359.470 3.831 20 5 FHBDRO CC[NH+](CC)[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)CC(C)C ZINC000506834983 945461765 /nfs/dbraw/zinc/46/17/65/945461765.db2.gz BISRGBRVINUHPL-HNNXBMFYSA-N 1 0 362.474 3.648 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000107071799 945480010 /nfs/dbraw/zinc/48/00/10/945480010.db2.gz OYAGAJWLVGMTJW-CABCVRRESA-N 1 0 371.437 3.898 20 5 FHBDRO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544150606 945492050 /nfs/dbraw/zinc/49/20/50/945492050.db2.gz OMNWLJOAIPOXOK-SPYBWZPUSA-N 1 0 374.412 3.557 20 5 FHBDRO CCCN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729480313 945578690 /nfs/dbraw/zinc/57/86/90/945578690.db2.gz UJXPWDUKKGRDAW-CQSZACIVSA-N 1 0 369.487 3.878 20 5 FHBDRO C[C@H]([NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1)c1ccccc1[N+](=O)[O-] ZINC000550075186 945725375 /nfs/dbraw/zinc/72/53/75/945725375.db2.gz QUURQRUUIWIOPO-STQMWFEESA-N 1 0 359.392 3.908 20 5 FHBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000519771472 945728337 /nfs/dbraw/zinc/72/83/37/945728337.db2.gz QCBWMJQMJUXYIG-ZFWWWQNUSA-N 1 0 371.462 3.555 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(Cn3cccn3)c2)cc1[N+](=O)[O-] ZINC000129418049 945773163 /nfs/dbraw/zinc/77/31/63/945773163.db2.gz KDYSXAOTPKAZGO-MRXNPFEDSA-N 1 0 350.422 3.999 20 5 FHBDRO Cc1ccc([C@@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000143163020 945854205 /nfs/dbraw/zinc/85/42/05/945854205.db2.gz GBFDAEIZJFNKLA-LJQANCHMSA-N 1 0 367.449 3.779 20 5 FHBDRO CC[N@H+](CCc1cccs1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000519905554 945892266 /nfs/dbraw/zinc/89/22/66/945892266.db2.gz SDJFUATXRBAZHE-UHFFFAOYSA-N 1 0 358.423 3.771 20 5 FHBDRO C[C@@H](CC(F)(F)C[NH3+])c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001211898232 946334167 /nfs/dbraw/zinc/33/41/67/946334167.db2.gz WNRGAGDUDBICCZ-NSHDSACASA-N 1 0 369.375 3.921 20 5 FHBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H]1C ZINC000475190299 946591584 /nfs/dbraw/zinc/59/15/84/946591584.db2.gz FZXCTXVDAKSMKE-GMXABZIVSA-N 1 0 374.359 3.681 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000475555473 946640071 /nfs/dbraw/zinc/64/00/71/946640071.db2.gz MTDGSHQPTJPARP-KRWDZBQOSA-N 1 0 370.453 3.506 20 5 FHBDRO CCS[C@@H]1CCCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000112088289 946658907 /nfs/dbraw/zinc/65/89/07/946658907.db2.gz WFZARVFENAIKPC-OAHLLOKOSA-N 1 0 362.455 3.752 20 5 FHBDRO CN(C(=O)C[NH2+]C(C)(C)CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000151965642 946704024 /nfs/dbraw/zinc/70/40/24/946704024.db2.gz ADIKBLJEBMZPFD-UHFFFAOYSA-N 1 0 355.438 3.559 20 5 FHBDRO COC(=O)COc1ccc(C[N@H+](CC(C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000475587255 946762257 /nfs/dbraw/zinc/76/22/57/946762257.db2.gz YPBVQRRVPKAPSY-UHFFFAOYSA-N 1 0 364.442 3.547 20 5 FHBDRO CC[N+](C)(C)Cc1ccccc1N[C@](C)(Cc1ccc(O)cc1)C(=O)OC ZINC001168080264 946908117 /nfs/dbraw/zinc/90/81/17/946908117.db2.gz JLJIKXGOEAHZFQ-JOCHJYFZSA-O 1 0 371.501 3.575 20 5 FHBDRO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000123893991 946916607 /nfs/dbraw/zinc/91/66/07/946916607.db2.gz SJTQLMGVOAXEGO-IEBWSBKVSA-N 1 0 359.470 3.817 20 5 FHBDRO COc1cccc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000475425474 947065669 /nfs/dbraw/zinc/06/56/69/947065669.db2.gz WGRYHCPSEVESPP-UHFFFAOYSA-N 1 0 369.465 3.952 20 5 FHBDRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444649438 947070148 /nfs/dbraw/zinc/07/01/48/947070148.db2.gz JLRMIIOHTFVTFX-HOCLYGCPSA-N 1 0 350.422 3.924 20 5 FHBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(-n2cccn2)c1 ZINC000444676464 947100983 /nfs/dbraw/zinc/10/09/83/947100983.db2.gz QIVGQYSMJHGZJY-ZDUSSCGKSA-N 1 0 362.393 3.508 20 5 FHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC1([NH+]2CCCC2)CCOCC1 ZINC000444823729 947238027 /nfs/dbraw/zinc/23/80/27/947238027.db2.gz DEVYTUDEOYHZPX-UHFFFAOYSA-N 1 0 353.850 3.614 20 5 FHBDRO CC(C)C(=O)NCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000120332018 947370047 /nfs/dbraw/zinc/37/00/47/947370047.db2.gz NIUXWWNIFFGYSQ-UHFFFAOYSA-N 1 0 361.467 3.575 20 5 FHBDRO CSc1ccccc1[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000440615036 947389264 /nfs/dbraw/zinc/38/92/64/947389264.db2.gz GZIMUXWJEWAROS-ZDUSSCGKSA-N 1 0 359.451 3.996 20 5 FHBDRO C[NH+](C)C1(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CCC1 ZINC000438534232 947398024 /nfs/dbraw/zinc/39/80/24/947398024.db2.gz NSKFFYNBRABHOV-UHFFFAOYSA-N 1 0 368.437 3.553 20 5 FHBDRO CC(C)O[C@@H](C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000428387518 947440476 /nfs/dbraw/zinc/44/04/76/947440476.db2.gz YLJQXMYMCMJZTK-HKUYNNGSSA-N 1 0 370.453 3.642 20 5 FHBDRO Cc1cc(NCc2ccncc2OCC(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000440645208 947506720 /nfs/dbraw/zinc/50/67/20/947506720.db2.gz CUIVLQMTKAYDHV-UHFFFAOYSA-N 1 0 374.347 3.524 20 5 FHBDRO CCS[C@H]1CC[C@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000072837841 947569912 /nfs/dbraw/zinc/56/99/12/947569912.db2.gz FWTLPJGRGMSPPV-HOCLYGCPSA-N 1 0 365.499 3.838 20 5 FHBDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000072838448 947570132 /nfs/dbraw/zinc/57/01/32/947570132.db2.gz LSBYVGKCKREIAS-LSDHHAIUSA-N 1 0 362.455 3.751 20 5 FHBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000441459192 947571892 /nfs/dbraw/zinc/57/18/92/947571892.db2.gz AFLLNBUVJWXPIK-KRWDZBQOSA-N 1 0 356.422 3.547 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000445254036 947657498 /nfs/dbraw/zinc/65/74/98/947657498.db2.gz YEVZCKXTFAVCNA-UHFFFAOYSA-N 1 0 361.829 3.548 20 5 FHBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000473988082 947909939 /nfs/dbraw/zinc/90/99/39/947909939.db2.gz JIIBDZFDTSCIQP-QAPCUYQASA-N 1 0 355.438 3.613 20 5 FHBDRO C/C(=C\C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000785359646 948077577 /nfs/dbraw/zinc/07/75/77/948077577.db2.gz KZSHCYFSLQPPMZ-XUDAUXSOSA-N 1 0 371.412 3.556 20 5 FHBDRO O=[N+]([O-])c1cccc2c(N3CC[NH+](CCc4cccs4)CC3)ccnc21 ZINC000432327902 948083590 /nfs/dbraw/zinc/08/35/90/948083590.db2.gz UPNYFGNXCZVFEW-UHFFFAOYSA-N 1 0 368.462 3.569 20 5 FHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000184701412 948224920 /nfs/dbraw/zinc/22/49/20/948224920.db2.gz RBBZLZHHSYAXFE-MRXNPFEDSA-N 1 0 361.486 3.543 20 5 FHBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)cc1[N+](=O)[O-] ZINC000574726285 948397710 /nfs/dbraw/zinc/39/77/10/948397710.db2.gz LWOQVCOCPNIPRH-QGZVFWFLSA-N 1 0 350.422 3.918 20 5 FHBDRO Cc1ccc(C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)cc1[N+](=O)[O-] ZINC000574726283 948397980 /nfs/dbraw/zinc/39/79/80/948397980.db2.gz LWOQVCOCPNIPRH-KRWDZBQOSA-N 1 0 350.422 3.918 20 5 FHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000512122399 948479146 /nfs/dbraw/zinc/47/91/46/948479146.db2.gz LMRHMHBXTGSWSA-UONOGXRCSA-N 1 0 365.499 3.508 20 5 FHBDRO CC(C)CC(=O)N1CCC([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279190502 948602988 /nfs/dbraw/zinc/60/29/88/948602988.db2.gz WKKMKHQPRUMVIV-LJQANCHMSA-N 1 0 373.497 3.944 20 5 FHBDRO CC(C)c1ccc(CN[C@@H](C[S@@](C)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000182097287 948663219 /nfs/dbraw/zinc/66/32/19/948663219.db2.gz VUUUCDAXQZDNIS-AVRWGWEMSA-N 1 0 360.479 3.928 20 5 FHBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCc1cc(Cl)cc(Cl)c1)CC2 ZINC000447307188 948732628 /nfs/dbraw/zinc/73/26/28/948732628.db2.gz XHWSXFDFXCFYDC-UHFFFAOYSA-N 1 0 352.221 3.897 20 5 FHBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000536491833 948742176 /nfs/dbraw/zinc/74/21/76/948742176.db2.gz OEYHUEKMPJQVQM-UHFFFAOYSA-N 1 0 360.458 3.516 20 5 FHBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110193911 209319422 /nfs/dbraw/zinc/31/94/22/209319422.db2.gz ASEUFCRKNOMQML-UHFFFAOYSA-N 1 0 373.840 3.643 20 5 FHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000109288211 209302320 /nfs/dbraw/zinc/30/23/20/209302320.db2.gz CWCJAYFPHLYVPW-SFHVURJKSA-N 1 0 373.478 3.658 20 5 FHBDRO COc1ccc([C@@H](C)[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000109094508 209298429 /nfs/dbraw/zinc/29/84/29/209298429.db2.gz YSUBSTPOJKYSLK-OAHLLOKOSA-N 1 0 371.437 3.933 20 5 FHBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000007945661 207212311 /nfs/dbraw/zinc/21/23/11/207212311.db2.gz UUULXJHIUGNQHW-UHFFFAOYSA-N 1 0 355.438 3.675 20 5 FHBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452853529 567818899 /nfs/dbraw/zinc/81/88/99/567818899.db2.gz NVSQNIFMPIVLTJ-ZWKOTPCHSA-N 1 0 359.470 3.565 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541787707 567833960 /nfs/dbraw/zinc/83/39/60/567833960.db2.gz WBTKBQLMGXULSJ-ZDUSSCGKSA-N 1 0 352.410 3.510 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(CNC3CC[NH+](C4CCC4)CC3)cs2)c1 ZINC000264982280 567963002 /nfs/dbraw/zinc/96/30/02/567963002.db2.gz UUBAIFFWACBEGC-UHFFFAOYSA-N 1 0 372.494 3.825 20 5 FHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000568532822 568047370 /nfs/dbraw/zinc/04/73/70/568047370.db2.gz FHDUIOQWGMMCQQ-BHDPTXKXSA-N 1 0 357.454 3.521 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000568532986 568047828 /nfs/dbraw/zinc/04/78/28/568047828.db2.gz MJUVOMLWLLMYJZ-CYBMUJFWSA-N 1 0 374.268 3.593 20 5 FHBDRO CCSCC[C@@H](C)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000072900817 568056832 /nfs/dbraw/zinc/05/68/32/568056832.db2.gz DPFQDRCEHSANOB-CYBMUJFWSA-N 1 0 353.488 3.695 20 5 FHBDRO CC1(C)C[C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000279178571 568060575 /nfs/dbraw/zinc/06/05/75/568060575.db2.gz VKBHETOPBPPZFZ-IBGZPJMESA-N 1 0 363.421 3.688 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)n1 ZINC000481682907 568085233 /nfs/dbraw/zinc/08/52/33/568085233.db2.gz BKBFMDLUBQGCGE-HOTGVXAUSA-N 1 0 370.453 3.520 20 5 FHBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291558452 568199056 /nfs/dbraw/zinc/19/90/56/568199056.db2.gz XQFMIVAWRVWQLU-UHFFFAOYSA-N 1 0 372.252 3.506 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1 ZINC000481996425 568219130 /nfs/dbraw/zinc/21/91/30/568219130.db2.gz AEWNVKJYNQQTPL-NRFANRHFSA-N 1 0 366.465 3.791 20 5 FHBDRO CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000482049260 568238712 /nfs/dbraw/zinc/23/87/12/568238712.db2.gz NJOJCQWZXRAOEB-INIZCTEOSA-N 1 0 362.474 3.563 20 5 FHBDRO C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000568982540 568260866 /nfs/dbraw/zinc/26/08/66/568260866.db2.gz GAABHLNRHKIFIJ-ZFWWWQNUSA-N 1 0 371.462 3.555 20 5 FHBDRO COc1ccc2c(c1)C[C@@H](C)N(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]2C ZINC000541952791 568272688 /nfs/dbraw/zinc/27/26/88/568272688.db2.gz UANVYMOOIMNJHI-ZIAGYGMSSA-N 1 0 369.421 3.550 20 5 FHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000569095291 568281685 /nfs/dbraw/zinc/28/16/85/568281685.db2.gz SKDYOTBMFRTNCC-UHFFFAOYSA-N 1 0 357.435 3.605 20 5 FHBDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000569219204 568313374 /nfs/dbraw/zinc/31/33/74/568313374.db2.gz ZEPDPWKNXBVGNP-BTORSOPLSA-N 1 0 368.433 3.618 20 5 FHBDRO CC(C)CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CC[NH+](C)CC1 ZINC000265095861 568375918 /nfs/dbraw/zinc/37/59/18/568375918.db2.gz FCIIEHCOYNUUPX-UHFFFAOYSA-N 1 0 359.426 3.533 20 5 FHBDRO CSc1ccc(NC(=O)[C@@H](C)N(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000570296029 568473446 /nfs/dbraw/zinc/47/34/46/568473446.db2.gz BGCVDKNMAGGSTI-CQSZACIVSA-N 1 0 373.478 3.818 20 5 FHBDRO CCC[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000821021156 607086931 /nfs/dbraw/zinc/08/69/31/607086931.db2.gz LMWHQAXEDLUIOA-FZKQIMNGSA-N 1 0 366.425 3.967 20 5 FHBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(Cl)c1 ZINC001164624682 719054697 /nfs/dbraw/zinc/05/46/97/719054697.db2.gz OUGUICJUVQIIQE-YJBOKZPZSA-N 1 0 372.856 3.744 20 5 FHBDRO O=[N+]([O-])c1cccc2ccc(N3CCCC[C@H]3CC[NH+]3CCCC3)nc21 ZINC001165047188 721969450 /nfs/dbraw/zinc/96/94/50/721969450.db2.gz JFTODXKBRDKWIE-KRWDZBQOSA-N 1 0 354.454 3.988 20 5 FHBDRO C[C@@H](O)C[C@H](C)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000077425473 936356039 /nfs/dbraw/zinc/35/60/39/936356039.db2.gz CRJAIVLHVXYERX-JKSUJKDBSA-N 1 0 357.454 3.859 20 5 FHBDRO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[NH+]2CCCC2)cc1 ZINC000061502562 936379017 /nfs/dbraw/zinc/37/90/17/936379017.db2.gz XIPMJCAHTSIWCM-LJQANCHMSA-N 1 0 371.412 3.609 20 5 FHBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000535945466 937179589 /nfs/dbraw/zinc/17/95/89/937179589.db2.gz LIDCTLLMLAMHQL-VQTJNVASSA-N 1 0 365.437 3.653 20 5 FHBDRO O=C(C[NH+]1CCC2(CCCCC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000608833242 927798504 /nfs/dbraw/zinc/79/85/04/927798504.db2.gz FDQLFKOZVJZZHJ-UHFFFAOYSA-N 1 0 357.454 3.530 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000430203951 927998924 /nfs/dbraw/zinc/99/89/24/927998924.db2.gz PXZOFUKHPXGDIQ-HNAYVOBHSA-N 1 0 356.422 3.861 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000120309647 928050198 /nfs/dbraw/zinc/05/01/98/928050198.db2.gz NEIXJKYDIHKUQJ-MRXNPFEDSA-N 1 0 362.474 3.988 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(COc2ccccc2)CC1 ZINC000430211893 928165674 /nfs/dbraw/zinc/16/56/74/928165674.db2.gz KAKUMAVBLDKQRB-UHFFFAOYSA-N 1 0 356.422 3.894 20 5 FHBDRO Cc1ccc([C@@H]2CCCC[N@@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000610215320 928170998 /nfs/dbraw/zinc/17/09/98/928170998.db2.gz ZJWGXJGTPVTHGY-CTNGQTDRSA-N 1 0 370.449 3.870 20 5 FHBDRO Cc1ccc([C@H]2CCCC[N@@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000610215323 928171251 /nfs/dbraw/zinc/17/12/51/928171251.db2.gz ZJWGXJGTPVTHGY-TZIWHRDSSA-N 1 0 370.449 3.870 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000430217780 928258383 /nfs/dbraw/zinc/25/83/83/928258383.db2.gz IJQUYZBAGDUBIC-QGZVFWFLSA-N 1 0 356.422 3.642 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(c2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000610224361 928317693 /nfs/dbraw/zinc/31/76/93/928317693.db2.gz DRIKBRMADCKKIS-UHFFFAOYSA-N 1 0 353.422 3.644 20 5 FHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000246892051 928334921 /nfs/dbraw/zinc/33/49/21/928334921.db2.gz BOQWALBPCAAMPH-GOEBONIOSA-N 1 0 351.410 3.578 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000430235591 928372733 /nfs/dbraw/zinc/37/27/33/928372733.db2.gz DYQSWYOTJGVAGS-GOSISDBHSA-N 1 0 369.465 3.557 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000430235168 928376539 /nfs/dbraw/zinc/37/65/39/928376539.db2.gz XUZSLEPXGVCRRQ-WMZOPIPTSA-N 1 0 364.348 3.501 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000471169450 928445687 /nfs/dbraw/zinc/44/56/87/928445687.db2.gz OFWFZDIOLFBZCY-IBGZPJMESA-N 1 0 355.438 3.704 20 5 FHBDRO Cn1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(-c2cccnc2)n1 ZINC000154282511 928683850 /nfs/dbraw/zinc/68/38/50/928683850.db2.gz KLLKNPZUKUPDEJ-UHFFFAOYSA-N 1 0 363.421 3.555 20 5 FHBDRO Cc1cccc(NC2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000154575649 928994517 /nfs/dbraw/zinc/99/45/17/928994517.db2.gz DXFJHJKDMXOXME-HXUWFJFHSA-N 1 0 355.438 3.513 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000120640420 929164235 /nfs/dbraw/zinc/16/42/35/929164235.db2.gz FQFWTOWYLIEUMQ-UTKZUKDTSA-N 1 0 369.465 3.627 20 5 FHBDRO CCCc1ccc([C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C(C)C)cc1 ZINC000535624483 929209239 /nfs/dbraw/zinc/20/92/39/929209239.db2.gz UUPQWBAYFVBNOT-HXUWFJFHSA-N 1 0 357.454 3.696 20 5 FHBDRO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000134794356 929274651 /nfs/dbraw/zinc/27/46/51/929274651.db2.gz QDKUIFOMHVCKBW-HKUYNNGSSA-N 1 0 374.412 3.831 20 5 FHBDRO C[C@@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000165333689 929509241 /nfs/dbraw/zinc/50/92/41/929509241.db2.gz KCLXVJUSCIGDQE-MJGOQNOKSA-N 1 0 353.466 3.810 20 5 FHBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000278207407 937357140 /nfs/dbraw/zinc/35/71/40/937357140.db2.gz QQSKAQXPYQAKHU-OAHLLOKOSA-N 1 0 363.461 3.507 20 5 FHBDRO O=C(NCC[NH+]1CCCCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275669166 929810291 /nfs/dbraw/zinc/81/02/91/929810291.db2.gz PQDYBEYBSDUHAI-UHFFFAOYSA-N 1 0 363.461 3.699 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000580017291 929895110 /nfs/dbraw/zinc/89/51/10/929895110.db2.gz YHWKLMJVUPRSDZ-KXBFYZLASA-N 1 0 372.469 3.638 20 5 FHBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H](CO)CC2)cc1[N+](=O)[O-] ZINC000560628531 929933003 /nfs/dbraw/zinc/93/30/03/929933003.db2.gz FPDTUODDHFUJPQ-QGZVFWFLSA-N 1 0 369.465 3.957 20 5 FHBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175845966 929953591 /nfs/dbraw/zinc/95/35/91/929953591.db2.gz ZFCUFSLJBLSGQG-ZBFHGGJFSA-N 1 0 350.415 3.884 20 5 FHBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)n1 ZINC000134105606 930038710 /nfs/dbraw/zinc/03/87/10/930038710.db2.gz ASBWZNBOYUTMIZ-DZGCQCFKSA-N 1 0 368.359 3.736 20 5 FHBDRO COc1ccc(CN2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000610372014 930178643 /nfs/dbraw/zinc/17/86/43/930178643.db2.gz GUUIAUKFAPJHKA-QGZVFWFLSA-N 1 0 369.465 3.700 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)n1 ZINC000580116737 930264343 /nfs/dbraw/zinc/26/43/43/930264343.db2.gz RVYLHZVJIPXJQO-SFHVURJKSA-N 1 0 358.442 3.800 20 5 FHBDRO CC(C)Oc1ccc([C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000583403950 937412125 /nfs/dbraw/zinc/41/21/25/937412125.db2.gz ZCJLMZKJZSOGMH-HXUWFJFHSA-N 1 0 357.454 3.775 20 5 FHBDRO CSc1ccc(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000471556914 930494157 /nfs/dbraw/zinc/49/41/57/930494157.db2.gz SDUFLZYCOSSFED-FZKQIMNGSA-N 1 0 373.478 3.738 20 5 FHBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001167387152 930591690 /nfs/dbraw/zinc/59/16/90/930591690.db2.gz OSYMVVBPNBQFFP-GOSISDBHSA-N 1 0 370.449 3.998 20 5 FHBDRO COC[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000536671295 930605281 /nfs/dbraw/zinc/60/52/81/930605281.db2.gz GMKRTZBEINMNBW-GFCCVEGCSA-N 1 0 350.802 3.977 20 5 FHBDRO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000610121871 930720733 /nfs/dbraw/zinc/72/07/33/930720733.db2.gz HQWWNSCPRDDHRR-QGZVFWFLSA-N 1 0 367.449 3.640 20 5 FHBDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000261726879 930728101 /nfs/dbraw/zinc/72/81/01/930728101.db2.gz KPUSVYRDYSBRCN-SCLBCKFNSA-N 1 0 355.394 3.843 20 5 FHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000610133947 930810878 /nfs/dbraw/zinc/81/08/78/930810878.db2.gz WWOUAFCMVPSRHE-SFHVURJKSA-N 1 0 369.465 3.570 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@]1(C)CCCc2ccccc21 ZINC000537604977 931054753 /nfs/dbraw/zinc/05/47/53/931054753.db2.gz JOGJVAOLNBAQCM-HXUWFJFHSA-N 1 0 353.422 3.683 20 5 FHBDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001167434212 931139875 /nfs/dbraw/zinc/13/98/75/931139875.db2.gz SQXMKFXKBGSAOM-JMSVASOKSA-N 1 0 351.834 3.840 20 5 FHBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC[NH2+]1 ZINC000580900373 931316505 /nfs/dbraw/zinc/31/65/05/931316505.db2.gz SSSALNXCCIGSNT-HIFRSBDPSA-N 1 0 371.462 3.616 20 5 FHBDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000610475819 931545393 /nfs/dbraw/zinc/54/53/93/931545393.db2.gz VFRDQDONWGTXLJ-INIZCTEOSA-N 1 0 368.437 3.723 20 5 FHBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000126216721 931621048 /nfs/dbraw/zinc/62/10/48/931621048.db2.gz GFAJFIZROSMVJJ-KNBMTAEXSA-N 1 0 368.481 3.859 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000177982573 931862913 /nfs/dbraw/zinc/86/29/13/931862913.db2.gz QEXYFEPFAWQNSJ-HNNXBMFYSA-N 1 0 353.422 3.533 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505442 932012528 /nfs/dbraw/zinc/01/25/28/932012528.db2.gz LPOYFHYXXNZMHJ-KRWDZBQOSA-N 1 0 373.384 3.518 20 5 FHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000060553359 932055664 /nfs/dbraw/zinc/05/56/64/932055664.db2.gz ILRGHTMIOKVCKX-QGZVFWFLSA-N 1 0 365.499 3.557 20 5 FHBDRO CC(C)c1nnc([C@H](C)[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000537945512 932168837 /nfs/dbraw/zinc/16/88/37/932168837.db2.gz PNNAYERTTUOXTL-OFQRWUPVSA-N 1 0 357.458 3.898 20 5 FHBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000276362781 932263157 /nfs/dbraw/zinc/26/31/57/932263157.db2.gz MDNIPXKAEXWSTK-UHFFFAOYSA-N 1 0 365.477 3.898 20 5 FHBDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@H]1C ZINC000276398062 932339453 /nfs/dbraw/zinc/33/94/53/932339453.db2.gz JZKZWJXQYJKLLN-PBHICJAKSA-N 1 0 365.429 3.577 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000477291022 932453274 /nfs/dbraw/zinc/45/32/74/932453274.db2.gz KIJVRZMKHXPDDH-INIZCTEOSA-N 1 0 361.829 3.589 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000157460598 932565687 /nfs/dbraw/zinc/56/56/87/932565687.db2.gz FOFZZSBZLKEZIG-MRXNPFEDSA-N 1 0 359.470 3.712 20 5 FHBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000023899151 932731738 /nfs/dbraw/zinc/73/17/38/932731738.db2.gz CYGDEFFQDROPPE-ZDUSSCGKSA-N 1 0 359.451 3.776 20 5 FHBDRO CCN1C[C@@H](C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)Oc2ccccc21 ZINC000610556989 932969383 /nfs/dbraw/zinc/96/93/83/932969383.db2.gz HXTQDEFXIJGSLB-CRAIPNDOSA-N 1 0 355.438 3.875 20 5 FHBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000135343554 933045265 /nfs/dbraw/zinc/04/52/65/933045265.db2.gz BMGJTQDRCSBKDS-CYBMUJFWSA-N 1 0 359.401 3.593 20 5 FHBDRO CCOC(=O)C1CCC([N@H+](CC)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000510633078 933332026 /nfs/dbraw/zinc/33/20/26/933332026.db2.gz JBDQHOSMFQFINR-UHFFFAOYSA-N 1 0 370.396 3.817 20 5 FHBDRO C[C@@H]([NH2+][C@@H]1CC2CCC1CC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000431078131 933805660 /nfs/dbraw/zinc/80/56/60/933805660.db2.gz RSCSLYDLRLODGR-OOIBFCDDSA-N 1 0 351.834 3.744 20 5 FHBDRO CC(C)c1ccc(C(=O)N2CC[N@@H+]([C@H]3C[C@@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000561748690 933969408 /nfs/dbraw/zinc/96/94/08/933969408.db2.gz PATOJRWUUUFFPY-MPGHIAIKSA-N 1 0 359.470 3.521 20 5 FHBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000535799945 934396135 /nfs/dbraw/zinc/39/61/35/934396135.db2.gz JETKSICXEMCVNA-AEFFLSMTSA-N 1 0 355.438 3.913 20 5 FHBDRO COc1cc(C[N@H+](C)[C@@H](C)C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000158064061 934416878 /nfs/dbraw/zinc/41/68/78/934416878.db2.gz ZVYCTSKXAACVEX-JTQLQIEISA-N 1 0 362.348 3.775 20 5 FHBDRO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000610804509 934440178 /nfs/dbraw/zinc/44/01/78/934440178.db2.gz UXOMYWOVLMQCEG-DLBZAZTESA-N 1 0 358.438 3.611 20 5 FHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)c1ccccc1 ZINC000610798987 934443923 /nfs/dbraw/zinc/44/39/23/934443923.db2.gz FXRXSTKQNVRJOH-HNNXBMFYSA-N 1 0 355.438 3.879 20 5 FHBDRO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000277032527 934461117 /nfs/dbraw/zinc/46/11/17/934461117.db2.gz FKPYZBPNXLKNGH-LLVKDONJSA-N 1 0 368.842 3.503 20 5 FHBDRO Cc1ccc(C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C(C)C)s1 ZINC000065161943 934509345 /nfs/dbraw/zinc/50/93/45/934509345.db2.gz QVFFHRCATAGVCB-UHFFFAOYSA-N 1 0 373.478 3.764 20 5 FHBDRO CCc1cccc2c(C3CC[NH+](CCn4ccc([N+](=O)[O-])n4)CC3)c[nH]c21 ZINC000176215112 934631866 /nfs/dbraw/zinc/63/18/66/934631866.db2.gz HMXOFQAPRWYVMQ-UHFFFAOYSA-N 1 0 367.453 3.715 20 5 FHBDRO Cn1ccnc1[C@@H](NCC(C)(C)[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000611560715 934847133 /nfs/dbraw/zinc/84/71/33/934847133.db2.gz BMFAJZSPEPSWSK-MSOLQXFVSA-N 1 0 372.469 3.603 20 5 FHBDRO Cc1noc(C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)c2ccccc2)n1 ZINC000277288439 934886591 /nfs/dbraw/zinc/88/65/91/934886591.db2.gz SUGAOGJRIYPKJU-QGZVFWFLSA-N 1 0 352.394 3.668 20 5 FHBDRO CNc1ccc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1[N+](=O)[O-] ZINC000538806999 934913552 /nfs/dbraw/zinc/91/35/52/934913552.db2.gz DSYIRCGRNNFDMK-UHFFFAOYSA-N 1 0 368.437 3.527 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000071958541 935094414 /nfs/dbraw/zinc/09/44/14/935094414.db2.gz HBZQKFHJVYVZCO-AWEZNQCLSA-N 1 0 373.478 3.961 20 5 FHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000582032595 935150777 /nfs/dbraw/zinc/15/07/77/935150777.db2.gz PUPWNUSMYMUILY-RPGGZIJESA-N 1 0 352.434 3.754 20 5 FHBDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000472140775 935172156 /nfs/dbraw/zinc/17/21/56/935172156.db2.gz TYGOJQPGQAKNKI-ZZKXABKFSA-N 1 0 350.802 3.925 20 5 FHBDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000072035426 935229273 /nfs/dbraw/zinc/22/92/73/935229273.db2.gz FYAMYCKZVHPYLM-QGZVFWFLSA-N 1 0 353.422 3.754 20 5 FHBDRO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2C)[NH+]2CCCC2)cc1 ZINC000072064486 935264447 /nfs/dbraw/zinc/26/44/47/935264447.db2.gz PFMBYMXWGMQJRC-HXUWFJFHSA-N 1 0 367.449 3.779 20 5 FHBDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000551419495 935276098 /nfs/dbraw/zinc/27/60/98/935276098.db2.gz WVIUMGSEXBLMPW-HDMKZQKVSA-N 1 0 356.422 3.666 20 5 FHBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000439921239 945091967 /nfs/dbraw/zinc/09/19/67/945091967.db2.gz YOYYMXRKEANQNL-CZUORRHYSA-N 1 0 372.400 3.691 20 5 FHBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000072121196 935317369 /nfs/dbraw/zinc/31/73/69/935317369.db2.gz WQERPHIJMIAYBY-SFHVURJKSA-N 1 0 356.426 3.799 20 5 FHBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000119921403 935332792 /nfs/dbraw/zinc/33/27/92/935332792.db2.gz RLSQZICCPBASSZ-YGRLFVJLSA-N 1 0 369.849 3.511 20 5 FHBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000551787970 935348683 /nfs/dbraw/zinc/34/86/83/935348683.db2.gz QJQXPQVSYCEPEJ-JKSUJKDBSA-N 1 0 368.359 3.736 20 5 FHBDRO CC[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1cccc([N+](=O)[O-])c1 ZINC000119995817 935426877 /nfs/dbraw/zinc/42/68/77/935426877.db2.gz NCZSNHDORIIZOO-PBHICJAKSA-N 1 0 360.845 3.963 20 5 FHBDRO O=[N+]([O-])c1cc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1Oc1ccc(F)cc1 ZINC000427122945 945109605 /nfs/dbraw/zinc/10/96/05/945109605.db2.gz UUQXOUJQXHSDOJ-YJBOKZPZSA-N 1 0 371.412 3.710 20 5 FHBDRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000264061408 935595685 /nfs/dbraw/zinc/59/56/85/935595685.db2.gz JDCWVYVGCGGNMO-UHFFFAOYSA-N 1 0 354.838 3.586 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000511785136 945111544 /nfs/dbraw/zinc/11/15/44/945111544.db2.gz IYROCCUZXZUGIR-AABGKKOBSA-N 1 0 368.433 3.608 20 5 FHBDRO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)n1 ZINC000478440303 935626376 /nfs/dbraw/zinc/62/63/76/935626376.db2.gz XEIYZWXHPNJIPJ-UHFFFAOYSA-N 1 0 355.225 3.763 20 5 FHBDRO COc1cc(CN2CCC(c3nc(C)cc(C)n3)CC2)c([N+](=O)[O-])cc1F ZINC000375704104 935672654 /nfs/dbraw/zinc/67/26/54/935672654.db2.gz KQAOIIBVRDWDCC-UHFFFAOYSA-N 1 0 374.416 3.529 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000478792708 935722914 /nfs/dbraw/zinc/72/29/14/935722914.db2.gz DIXKEHJGKSTJTN-WMLDXEAASA-N 1 0 371.412 3.889 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCC[C@@H](c4cccnc4)C3)nc2c1 ZINC000375707471 935731800 /nfs/dbraw/zinc/73/18/00/935731800.db2.gz MQSPVMKJRNRBJY-HIFRSBDPSA-N 1 0 351.410 3.682 20 5 FHBDRO COc1ccc(C[NH2+]CCCCc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000479411097 935837317 /nfs/dbraw/zinc/83/73/17/935837317.db2.gz AMDTYSQHXYZNRX-UHFFFAOYSA-N 1 0 350.365 3.994 20 5 FHBDRO CCC(=O)c1ccc(NC[C@H](c2cccc(OC)c2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000479852679 935905061 /nfs/dbraw/zinc/90/50/61/935905061.db2.gz NMMYOCBYHHCVNJ-LJQANCHMSA-N 1 0 371.437 3.911 20 5 FHBDRO COc1cccc([N+](=O)[O-])c1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000516682652 945137522 /nfs/dbraw/zinc/13/75/22/945137522.db2.gz BGGJCZLCCPNLLS-QGZVFWFLSA-N 1 0 355.438 3.580 20 5 FHBDRO C[C@@H](Cc1cccs1)[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001167610066 936071048 /nfs/dbraw/zinc/07/10/48/936071048.db2.gz ZFMDASXBHMGEQB-LBPRGKRZSA-N 1 0 358.423 3.769 20 5 FHBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC[N@@H+]1C ZINC000277876536 936076332 /nfs/dbraw/zinc/07/63/32/936076332.db2.gz CEMMSPXKJWZFNY-CABCVRRESA-N 1 0 363.461 3.648 20 5 FHBDRO C[C@H]([NH2+]CCc1ccn(-c2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000178659825 936090719 /nfs/dbraw/zinc/09/07/19/936090719.db2.gz JOOBTUKVNCRHFF-AWEZNQCLSA-N 1 0 354.385 3.813 20 5 FHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178682392 936174078 /nfs/dbraw/zinc/17/40/78/936174078.db2.gz ZDJOOJUYTXTUPG-KBPBESRZSA-N 1 0 357.410 3.590 20 5 FHBDRO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178684840 936200891 /nfs/dbraw/zinc/20/08/91/936200891.db2.gz WKQANJOXXCHFPD-KBPBESRZSA-N 1 0 369.421 3.784 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000178685059 936217914 /nfs/dbraw/zinc/21/79/14/936217914.db2.gz YFXDKOVVWRDROG-GJZGRUSLSA-N 1 0 370.453 3.647 20 5 FHBDRO Cc1cnc(Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)c([N+](=O)[O-])c1 ZINC000078665694 936232066 /nfs/dbraw/zinc/23/20/66/936232066.db2.gz ZLQGTCUINQUCQL-UHFFFAOYSA-N 1 0 369.469 3.820 20 5 FHBDRO O=[N+]([O-])c1cccc2ncnc(NC3CC[NH+](CC4CCCC4)CC3)c21 ZINC000612442160 936240988 /nfs/dbraw/zinc/24/09/88/936240988.db2.gz PFZTUYSBFJSGTO-UHFFFAOYSA-N 1 0 355.442 3.605 20 5 FHBDRO CC(C)[N@H+](C)CCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277974509 936295517 /nfs/dbraw/zinc/29/55/17/936295517.db2.gz VHYBJFWMGBOTLH-UHFFFAOYSA-N 1 0 351.450 3.554 20 5 FHBDRO Cc1c(NC(=O)CC[N@@H+]2CCS[C@H]3CCCC[C@H]32)cccc1[N+](=O)[O-] ZINC000246085418 938337624 /nfs/dbraw/zinc/33/76/24/938337624.db2.gz GBFOBFFVUKUUKD-SJORKVTESA-N 1 0 363.483 3.592 20 5 FHBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)c1 ZINC000163380914 938358979 /nfs/dbraw/zinc/35/89/79/938358979.db2.gz WKHFHRWMEDZNIN-UHFFFAOYSA-N 1 0 369.421 3.760 20 5 FHBDRO C[C@@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458638186 938359458 /nfs/dbraw/zinc/35/94/58/938359458.db2.gz SVNRFKGNYGMUOA-ZMSDIMECSA-N 1 0 374.485 3.608 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000583960768 938502869 /nfs/dbraw/zinc/50/28/69/938502869.db2.gz SPDARFAUYHNREI-YJBOKZPZSA-N 1 0 358.438 3.638 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](O)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000583960766 938502908 /nfs/dbraw/zinc/50/29/08/938502908.db2.gz SPDARFAUYHNREI-MAUKXSAKSA-N 1 0 358.438 3.638 20 5 FHBDRO C[C@@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000458771447 938553067 /nfs/dbraw/zinc/55/30/67/938553067.db2.gz MPSXXVAPPOSMPO-KHYOSLBOSA-N 1 0 370.453 3.646 20 5 FHBDRO C[C@H](NC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000458771445 938553117 /nfs/dbraw/zinc/55/31/17/938553117.db2.gz MPSXXVAPPOSMPO-DOXZYTNZSA-N 1 0 370.453 3.646 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3ncc(C(F)(F)F)s3)c2c1 ZINC000584195066 938636063 /nfs/dbraw/zinc/63/60/63/938636063.db2.gz LTTVJKTWHYTSHA-UHFFFAOYSA-N 1 0 370.356 3.884 20 5 FHBDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000090449390 938873594 /nfs/dbraw/zinc/87/35/94/938873594.db2.gz OOGDIICSPIBGCT-GXTWGEPZSA-N 1 0 359.451 3.595 20 5 FHBDRO COc1ccc(NC(=O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000140807034 938942029 /nfs/dbraw/zinc/94/20/29/938942029.db2.gz VBAXZUDKZWVGBS-UHFFFAOYSA-N 1 0 371.437 3.843 20 5 FHBDRO Cc1ccc([C@@H](C)[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000544069377 938991591 /nfs/dbraw/zinc/99/15/91/938991591.db2.gz NXIDUXNVQMOSMT-IAGOWNOFSA-N 1 0 358.438 3.644 20 5 FHBDRO C[C@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000472336821 938994681 /nfs/dbraw/zinc/99/46/81/938994681.db2.gz OCBJDELNGCUIPC-DJJJIMSYSA-N 1 0 357.385 3.756 20 5 FHBDRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000061865957 939014342 /nfs/dbraw/zinc/01/43/42/939014342.db2.gz KSQJGIRTJXHCGN-OAHLLOKOSA-N 1 0 370.453 3.607 20 5 FHBDRO COc1cc(C)c(C[C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000548858644 939019436 /nfs/dbraw/zinc/01/94/36/939019436.db2.gz VVNJGGXXASVMOD-HNNXBMFYSA-N 1 0 374.437 3.520 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000179527269 939881987 /nfs/dbraw/zinc/88/19/87/939881987.db2.gz SHBSFTGUKMBONU-HNNXBMFYSA-N 1 0 371.437 3.980 20 5 FHBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179764833 939932566 /nfs/dbraw/zinc/93/25/66/939932566.db2.gz GDHDNEYVGCVAJC-AWEZNQCLSA-N 1 0 369.421 3.673 20 5 FHBDRO C[C@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000179774507 939933765 /nfs/dbraw/zinc/93/37/65/939933765.db2.gz XZBALHXYHMWQIB-LBPRGKRZSA-N 1 0 357.385 3.933 20 5 FHBDRO CCC(CC)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000179786586 939934769 /nfs/dbraw/zinc/93/47/69/939934769.db2.gz HMRKMCYTDZDBLL-IBGZPJMESA-N 1 0 355.438 3.961 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000364694656 939982425 /nfs/dbraw/zinc/98/24/25/939982425.db2.gz HSXJNVNIMYPJIC-MDKPJZGXSA-N 1 0 368.481 3.984 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+]CC2CCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000188516909 940001554 /nfs/dbraw/zinc/00/15/54/940001554.db2.gz KHJJECUHCYYAPZ-ZDUSSCGKSA-N 1 0 359.392 3.828 20 5 FHBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000411132385 940001901 /nfs/dbraw/zinc/00/19/01/940001901.db2.gz YLRYSZGWRSHFLQ-SFHVURJKSA-N 1 0 369.421 3.769 20 5 FHBDRO C[C@@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000511349115 940047475 /nfs/dbraw/zinc/04/74/75/940047475.db2.gz BKYPCOVYRTYDGP-OAHLLOKOSA-N 1 0 365.433 3.888 20 5 FHBDRO CCOc1ccccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000411476721 940047584 /nfs/dbraw/zinc/04/75/84/940047584.db2.gz QDIPYZHBJXJHKC-HNNXBMFYSA-N 1 0 371.437 3.981 20 5 FHBDRO O=[N+]([O-])c1cnc2c(c1)CN(Cc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000411479338 940048060 /nfs/dbraw/zinc/04/80/60/940048060.db2.gz LVPSVJLMAJZEBP-UHFFFAOYSA-N 1 0 366.465 3.534 20 5 FHBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccc(F)cc2F)C2CCCC2)c1 ZINC000472433330 940092546 /nfs/dbraw/zinc/09/25/46/940092546.db2.gz RVFVOVZGXBPVSF-UHFFFAOYSA-N 1 0 350.369 3.514 20 5 FHBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000451989928 940094792 /nfs/dbraw/zinc/09/47/92/940094792.db2.gz CKIRDDWZQVOCQY-ZOCIIQOWSA-N 1 0 354.406 3.544 20 5 FHBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1C(F)(F)F ZINC000411747806 940105766 /nfs/dbraw/zinc/10/57/66/940105766.db2.gz YFUSIWBCDNIDCY-OCCSQVGLSA-N 1 0 373.375 3.976 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCSC2(CCC2)CC1 ZINC000411871334 940148890 /nfs/dbraw/zinc/14/88/90/940148890.db2.gz RGKOQDDMKBTFBD-UHFFFAOYSA-N 1 0 363.483 3.593 20 5 FHBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000411890093 940154871 /nfs/dbraw/zinc/15/48/71/940154871.db2.gz DTOZZOUNPGXZLL-MOPGFXCFSA-N 1 0 365.389 3.652 20 5 FHBDRO COc1ccc(CN(C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cn1 ZINC000612586698 940164122 /nfs/dbraw/zinc/16/41/22/940164122.db2.gz DLBDNVZYUQEWIH-UHFFFAOYSA-N 1 0 353.378 3.890 20 5 FHBDRO CC(C)c1ccc(C[NH2+]CC(=O)N2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000236715670 940169869 /nfs/dbraw/zinc/16/98/69/940169869.db2.gz ULGPVKLHUZCEPO-UHFFFAOYSA-N 1 0 367.449 3.787 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000111054935 945306135 /nfs/dbraw/zinc/30/61/35/945306135.db2.gz IJQSRCOEGKFGJD-CABCVRRESA-N 1 0 363.458 3.736 20 5 FHBDRO CCOc1ccc(NC(=O)C[NH2+]C(C)(C)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000053123307 940256735 /nfs/dbraw/zinc/25/67/35/940256735.db2.gz XZWBZGUTDPKLQI-UHFFFAOYSA-N 1 0 351.447 3.736 20 5 FHBDRO O=[N+]([O-])c1cccc([C@@H](NC2CC[NH+](C3CC3)CC2)c2ccccc2)c1 ZINC000180029048 940276567 /nfs/dbraw/zinc/27/65/67/940276567.db2.gz PCZGDZGKGKQQAZ-NRFANRHFSA-N 1 0 351.450 3.901 20 5 FHBDRO COc1ccc([C@@H](C[NH+](C)C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000580459157 940478215 /nfs/dbraw/zinc/47/82/15/940478215.db2.gz FDHPIHWMFOVECZ-DNVCBOLYSA-N 1 0 357.454 3.865 20 5 FHBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)c1ccc(F)cc1F ZINC000066434591 940486864 /nfs/dbraw/zinc/48/68/64/940486864.db2.gz UZRLDUJTVAFCLZ-SFHVURJKSA-N 1 0 350.365 3.817 20 5 FHBDRO C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000177977387 940496901 /nfs/dbraw/zinc/49/69/01/940496901.db2.gz CCWJHHPVYCGVMO-CABCVRRESA-N 1 0 363.458 3.893 20 5 FHBDRO CC[NH+](CC)[C@@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000111102577 945340257 /nfs/dbraw/zinc/34/02/57/945340257.db2.gz GVCDMMUYYPISCY-DNVCBOLYSA-N 1 0 355.438 3.855 20 5 FHBDRO CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000414222381 940793597 /nfs/dbraw/zinc/79/35/97/940793597.db2.gz FHFGTHGUPUDGAE-SJORKVTESA-N 1 0 357.458 3.757 20 5 FHBDRO Cc1c(NC(=O)CC[N@@H+]2CCc3ccccc3[C@@H]2C)cccc1[N+](=O)[O-] ZINC000170955284 940930370 /nfs/dbraw/zinc/93/03/70/940930370.db2.gz VRTONFRZOVPGDW-HNNXBMFYSA-N 1 0 353.422 3.851 20 5 FHBDRO C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000180441614 941015116 /nfs/dbraw/zinc/01/51/16/941015116.db2.gz VWRVXFQLUHYITD-WBMJQRKESA-N 1 0 368.355 3.868 20 5 FHBDRO CCC[C@@H](NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000180444207 941017494 /nfs/dbraw/zinc/01/74/94/941017494.db2.gz SMLVWNPSSCMJFJ-DNVCBOLYSA-N 1 0 355.438 3.903 20 5 FHBDRO CC[C@H]([NH2+]CCOc1cccc(NC(C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000180450809 941018087 /nfs/dbraw/zinc/01/80/87/941018087.db2.gz NRJBTFZKQKTBAE-IBGZPJMESA-N 1 0 357.410 3.673 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCOC4(CCOCC4)C3)s2)cc1 ZINC000180525802 941037252 /nfs/dbraw/zinc/03/72/52/941037252.db2.gz GHDPHTKSLDHHEF-UHFFFAOYSA-N 1 0 374.462 3.705 20 5 FHBDRO Cc1cc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc(N2CCCC2)n1 ZINC000583114154 941059136 /nfs/dbraw/zinc/05/91/36/941059136.db2.gz XJHAUMFCFXYVIO-VURMDHGXSA-N 1 0 352.438 3.701 20 5 FHBDRO CC[N@@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C[C@@H]1CCCO1 ZINC000511510332 941085797 /nfs/dbraw/zinc/08/57/97/941085797.db2.gz YDEDTDIDZXROQN-HNNXBMFYSA-N 1 0 360.410 3.864 20 5 FHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000181380902 941141145 /nfs/dbraw/zinc/14/11/45/941141145.db2.gz ZSVQCXRPESHXJX-AWEZNQCLSA-N 1 0 365.499 3.509 20 5 FHBDRO Cc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000189096448 941145358 /nfs/dbraw/zinc/14/53/58/941145358.db2.gz VUYCADGAXOBFBQ-QFBILLFUSA-N 1 0 367.449 3.663 20 5 FHBDRO COc1cc(C[NH2+][C@@H](C)[C@H](C)OC)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000189126375 941146949 /nfs/dbraw/zinc/14/69/49/941146949.db2.gz BOIJVILZZVPGNN-GJZGRUSLSA-N 1 0 374.437 3.695 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000189717919 941267121 /nfs/dbraw/zinc/26/71/21/941267121.db2.gz DVNQTRJCFAOATO-VQIMIIECSA-N 1 0 368.437 3.779 20 5 FHBDRO COc1cccc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000311405453 941280354 /nfs/dbraw/zinc/28/03/54/941280354.db2.gz WEMFAKGPZAINAA-QGZVFWFLSA-N 1 0 355.438 3.928 20 5 FHBDRO C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181455685 941288341 /nfs/dbraw/zinc/28/83/41/941288341.db2.gz IYPMSRBLOHOCFS-STQMWFEESA-N 1 0 365.861 3.631 20 5 FHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1nccc(C(F)(F)F)n1 ZINC000414511056 941369827 /nfs/dbraw/zinc/36/98/27/941369827.db2.gz WXTUWCSVIYMRNT-XFFZJAGNSA-N 1 0 352.316 3.597 20 5 FHBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccnc1 ZINC000414551463 941377552 /nfs/dbraw/zinc/37/75/52/941377552.db2.gz BGNBJBFGZCFMRO-UHFFFAOYSA-N 1 0 351.353 3.659 20 5 FHBDRO Cc1c(NC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)cccc1[N+](=O)[O-] ZINC000414692603 941441600 /nfs/dbraw/zinc/44/16/00/941441600.db2.gz CUGXANZKPNXUKB-MRXNPFEDSA-N 1 0 356.426 3.848 20 5 FHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414938856 941519055 /nfs/dbraw/zinc/51/90/55/941519055.db2.gz WKILZOXYFZRNGS-BFUOFWGJSA-N 1 0 368.437 3.561 20 5 FHBDRO O=C(Nc1cccc2c1C[N@@H+](C1CC1)C2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000377191020 941545471 /nfs/dbraw/zinc/54/54/71/941545471.db2.gz ZYZYJDDRHKWZDP-UHFFFAOYSA-N 1 0 357.797 3.979 20 5 FHBDRO O=[N+]([O-])c1ccc([C@H](NC2CC([NH+]3CCCCC3)C2)C(F)(F)F)cc1 ZINC000565087707 941564471 /nfs/dbraw/zinc/56/44/71/941564471.db2.gz MODFBSMUHQEPHR-BCLQGDPASA-N 1 0 357.376 3.805 20 5 FHBDRO O=[N+]([O-])c1cc(CNCCC[NH2+]C2CC2)ccc1Oc1ccc(F)cc1 ZINC000415067675 941584051 /nfs/dbraw/zinc/58/40/51/941584051.db2.gz KVKVTDKQXRHFAT-UHFFFAOYSA-N 1 0 359.401 3.758 20 5 FHBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415194296 941662454 /nfs/dbraw/zinc/66/24/54/941662454.db2.gz MUPXWQVUFKOBMZ-UGSOOPFHSA-N 1 0 370.409 3.507 20 5 FHBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415197788 941668695 /nfs/dbraw/zinc/66/86/95/941668695.db2.gz TZAWICYGJUOQTP-QGZVFWFLSA-N 1 0 370.409 3.649 20 5 FHBDRO C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC[C@H]1[NH3+] ZINC000415197779 941668798 /nfs/dbraw/zinc/66/87/98/941668798.db2.gz TZASITUTIYFQIO-FZKQIMNGSA-N 1 0 370.409 3.588 20 5 FHBDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)s1 ZINC000051098226 941704836 /nfs/dbraw/zinc/70/48/36/941704836.db2.gz JGAUTZYZSRLKKP-UHFFFAOYSA-N 1 0 373.478 3.668 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000122410878 941724612 /nfs/dbraw/zinc/72/46/12/941724612.db2.gz SOGVJNKFCBULEQ-GFCCVEGCSA-N 1 0 369.421 3.684 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000415506759 941862580 /nfs/dbraw/zinc/86/25/80/941862580.db2.gz RYADNYCPCAUXSN-QGZVFWFLSA-N 1 0 356.426 3.848 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000415502165 941864731 /nfs/dbraw/zinc/86/47/31/941864731.db2.gz NCTWQCNSMYEHSF-MRXNPFEDSA-N 1 0 372.425 3.548 20 5 FHBDRO Cc1cccc(C)c1OC[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000513397326 941890682 /nfs/dbraw/zinc/89/06/82/941890682.db2.gz KIOQCDQIFIZIFE-FQEVSTJZSA-N 1 0 372.465 3.862 20 5 FHBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412222867 941939558 /nfs/dbraw/zinc/93/95/58/941939558.db2.gz SNOPMZHQADTRQA-UHFFFAOYSA-N 1 0 367.449 3.553 20 5 FHBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000182554002 941943368 /nfs/dbraw/zinc/94/33/68/941943368.db2.gz DEOJNRBINNCQGA-CQSZACIVSA-N 1 0 357.410 3.673 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](O)C3CCCCC3)o2)c([N+](=O)[O-])c1 ZINC000517551428 941953381 /nfs/dbraw/zinc/95/33/81/941953381.db2.gz GLTWMXGZNVYLGC-LJQANCHMSA-N 1 0 374.437 3.894 20 5 FHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000236797195 941961236 /nfs/dbraw/zinc/96/12/36/941961236.db2.gz DEZBQXULIBNKHG-HNAYVOBHSA-N 1 0 355.438 3.668 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000182720514 941961941 /nfs/dbraw/zinc/96/19/41/941961941.db2.gz PXGZTSPJTVGPAK-HZPDHXFCSA-N 1 0 361.486 3.837 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H](Cc3ccccc3)C3CC3)n2)c1 ZINC000181556011 941982893 /nfs/dbraw/zinc/98/28/93/941982893.db2.gz VXMXONRYISOGHE-SFHVURJKSA-N 1 0 364.405 3.756 20 5 FHBDRO COc1ccccc1-n1nccc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000430019631 941988841 /nfs/dbraw/zinc/98/88/41/941988841.db2.gz HUFPBOJVIIWPIA-OAHLLOKOSA-N 1 0 366.421 3.948 20 5 FHBDRO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000101917130 942019978 /nfs/dbraw/zinc/01/99/78/942019978.db2.gz CMZQZPUQXXBERW-UHFFFAOYSA-N 1 0 357.385 3.585 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000085620744 942031333 /nfs/dbraw/zinc/03/13/33/942031333.db2.gz QIGAUCZQVLBEKF-KRWDZBQOSA-N 1 0 356.426 3.636 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000415771556 942044717 /nfs/dbraw/zinc/04/47/17/942044717.db2.gz ZVCOBCLMIININZ-UHFFFAOYSA-N 1 0 356.426 3.540 20 5 FHBDRO CCOc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000063311615 942126038 /nfs/dbraw/zinc/12/60/38/942126038.db2.gz ORYXUQRILHCCEU-HUUCEWRRSA-N 1 0 371.437 3.980 20 5 FHBDRO CC[NH2+]Cc1cccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000415910331 942128675 /nfs/dbraw/zinc/12/86/75/942128675.db2.gz VOOPSRXQPXPXDX-UHFFFAOYSA-N 1 0 356.426 3.761 20 5 FHBDRO C[NH2+]Cc1ccccc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000415914132 942136713 /nfs/dbraw/zinc/13/67/13/942136713.db2.gz UULOVSOWTPNRFX-UHFFFAOYSA-N 1 0 354.410 3.511 20 5 FHBDRO CCC[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000168180141 942171740 /nfs/dbraw/zinc/17/17/40/942171740.db2.gz JVTYWLXGKZEMDZ-CRAIPNDOSA-N 1 0 358.417 3.839 20 5 FHBDRO CO[C@]1(C)CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000280572642 942209738 /nfs/dbraw/zinc/20/97/38/942209738.db2.gz SCIMHMYOSYWRNW-SCLBCKFNSA-N 1 0 360.414 3.597 20 5 FHBDRO Cc1cc(N2CC[C@@H](O)[C@H](C3CCCC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000413458452 942215130 /nfs/dbraw/zinc/21/51/30/942215130.db2.gz WMBRTKYRYVKBNH-FXAWDEMLSA-N 1 0 355.438 3.829 20 5 FHBDRO O=[N+]([O-])c1cnc(NCCN2CCc3sccc3C2)c(C(F)(F)F)c1 ZINC000413067922 942250134 /nfs/dbraw/zinc/25/01/34/942250134.db2.gz HGDZVJRBGFPGHB-UHFFFAOYSA-N 1 0 372.372 3.540 20 5 FHBDRO C[C@@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000312024077 942284835 /nfs/dbraw/zinc/28/48/35/942284835.db2.gz WYOWHLKUPHVCRY-CJNGLKHVSA-N 1 0 373.840 3.641 20 5 FHBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c(F)c1 ZINC000413098097 942285636 /nfs/dbraw/zinc/28/56/36/942285636.db2.gz DSCVPBZETSKMNB-GFCCVEGCSA-N 1 0 350.419 3.515 20 5 FHBDRO O=[N+]([O-])c1cnc(N2CCC(C[NH+]3CCCCC3)CC2)c(C(F)(F)F)c1 ZINC000413103764 942291512 /nfs/dbraw/zinc/29/15/12/942291512.db2.gz WUHOWEXAEGABSV-UHFFFAOYSA-N 1 0 372.391 3.711 20 5 FHBDRO C[C@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000413153666 942352107 /nfs/dbraw/zinc/35/21/07/942352107.db2.gz HUWJUKVEAKEMKX-HOCLYGCPSA-N 1 0 358.417 3.618 20 5 FHBDRO CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)(C)C[NH+]1CCCC1 ZINC000416108306 942354033 /nfs/dbraw/zinc/35/40/33/942354033.db2.gz QACDDGXDONFWIW-UHFFFAOYSA-N 1 0 373.375 3.560 20 5 FHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000502339466 942369711 /nfs/dbraw/zinc/36/97/11/942369711.db2.gz JFYQKMUXCIYKEF-STQMWFEESA-N 1 0 355.385 3.727 20 5 FHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c(C(F)(F)F)c1 ZINC000378248609 942455130 /nfs/dbraw/zinc/45/51/30/942455130.db2.gz NNYLFOURLXIGMY-GFCCVEGCSA-N 1 0 354.332 3.716 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H]3CCCC[C@H]3OC(F)F)co2)cc1 ZINC000502510630 942488555 /nfs/dbraw/zinc/48/85/55/942488555.db2.gz NEQVHEHENORHMD-HUUCEWRRSA-N 1 0 367.352 3.890 20 5 FHBDRO Cn1cc(C[NH2+]C[C@H]2CC23CCSCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000421386694 942539908 /nfs/dbraw/zinc/53/99/08/942539908.db2.gz RMICJNBTORKJRU-MRXNPFEDSA-N 1 0 372.494 3.618 20 5 FHBDRO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CC12CCSCC2)c1ccc([N+](=O)[O-])cc1 ZINC000421392028 942543651 /nfs/dbraw/zinc/54/36/51/942543651.db2.gz WYTMWADEZJZQMD-WBVHZDCISA-N 1 0 372.494 3.541 20 5 FHBDRO COc1cc(C[N@H+](C)[C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000429590655 942567138 /nfs/dbraw/zinc/56/71/38/942567138.db2.gz PHZWKFLHWGATMX-DGCLKSJQSA-N 1 0 358.385 3.868 20 5 FHBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000063273015 942592548 /nfs/dbraw/zinc/59/25/48/942592548.db2.gz GUPODSCBFVPPPT-UHFFFAOYSA-N 1 0 365.861 3.633 20 5 FHBDRO COc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000104700299 942597088 /nfs/dbraw/zinc/59/70/88/942597088.db2.gz BQGLAIRVZBOIKQ-FQEVSTJZSA-N 1 0 369.421 3.673 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000421513722 942619458 /nfs/dbraw/zinc/61/94/58/942619458.db2.gz QINGJXPUDQUMPO-HOTGVXAUSA-N 1 0 359.470 3.594 20 5 FHBDRO C[NH+](C)C1(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000416308891 942638043 /nfs/dbraw/zinc/63/80/43/942638043.db2.gz SGOLMOKHYNBGMM-UHFFFAOYSA-N 1 0 371.462 3.570 20 5 FHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000378408785 942726348 /nfs/dbraw/zinc/72/63/48/942726348.db2.gz AMCJTJXUDHCMIM-QFBILLFUSA-N 1 0 371.481 3.770 20 5 FHBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000237257291 942767264 /nfs/dbraw/zinc/76/72/64/942767264.db2.gz LFKBOFCUXPFZIF-OAHLLOKOSA-N 1 0 365.499 3.557 20 5 FHBDRO CCOc1ccccc1C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000514124006 942769938 /nfs/dbraw/zinc/76/99/38/942769938.db2.gz FJCWRYMUJWNXBI-UHFFFAOYSA-N 1 0 371.437 3.763 20 5 FHBDRO COc1cc(C[NH+]2CCCCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000505437453 942774365 /nfs/dbraw/zinc/77/43/65/942774365.db2.gz BNZBHOZDDIHZQM-UHFFFAOYSA-N 1 0 362.348 3.921 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000421762644 942804239 /nfs/dbraw/zinc/80/42/39/942804239.db2.gz NLRKYFRMUFLTCF-SFHVURJKSA-N 1 0 373.497 3.940 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000421770954 942814509 /nfs/dbraw/zinc/81/45/09/942814509.db2.gz LDFSHFZDLGRBKQ-QZTJIDSGSA-N 1 0 373.497 3.938 20 5 FHBDRO CCC[C@@H](C)[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000434639133 942831005 /nfs/dbraw/zinc/83/10/05/942831005.db2.gz UWALPEYVZQOFTB-GFCCVEGCSA-N 1 0 362.455 3.777 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000434659144 942843609 /nfs/dbraw/zinc/84/36/09/942843609.db2.gz MPNAUUFGQVUWHC-QGZVFWFLSA-N 1 0 371.412 3.688 20 5 FHBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCCC2)c1 ZINC000505478253 942879611 /nfs/dbraw/zinc/87/96/11/942879611.db2.gz AVIAQUYOWREDCN-UHFFFAOYSA-N 1 0 368.359 3.869 20 5 FHBDRO Cc1cc(C)c2c(c1)[C@@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCO2 ZINC000365804334 942916936 /nfs/dbraw/zinc/91/69/36/942916936.db2.gz DQPADXKIODSOIP-INIZCTEOSA-N 1 0 357.366 3.733 20 5 FHBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1ccco1 ZINC000422099230 942988440 /nfs/dbraw/zinc/98/84/40/942988440.db2.gz NOHWANYDTDSPQS-ZBFHGGJFSA-N 1 0 359.426 3.664 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1CN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000505546376 943004901 /nfs/dbraw/zinc/00/49/01/943004901.db2.gz FOVYNHVSAAFMFU-LJQANCHMSA-N 1 0 356.422 3.785 20 5 FHBDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000434899525 943037364 /nfs/dbraw/zinc/03/73/64/943037364.db2.gz IJWZAHIHZXAQMA-BEFAXECRSA-N 1 0 353.422 3.801 20 5 FHBDRO CCn1c(C)nc([N+](=O)[O-])c1S[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000425256584 943067368 /nfs/dbraw/zinc/06/73/68/943067368.db2.gz AIJOFEMLPFTGFK-MRXNPFEDSA-N 1 0 360.483 3.876 20 5 FHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2ccco2)CC1 ZINC000016738724 943101072 /nfs/dbraw/zinc/10/10/72/943101072.db2.gz JMFYIOXMPNYVQC-UHFFFAOYSA-N 1 0 355.316 3.529 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000236845901 943122756 /nfs/dbraw/zinc/12/27/56/943122756.db2.gz BTLURISVVBOXCO-UHFFFAOYSA-N 1 0 357.385 3.946 20 5 FHBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1c(C)ccc([N+](=O)[O-])c1C)[NH+](C)C ZINC001269373030 943218745 /nfs/dbraw/zinc/21/87/45/943218745.db2.gz HEOXFONJWKJWFU-JXFKEZNVSA-N 1 0 369.465 3.941 20 5 FHBDRO CSc1ccc(CC[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000436294337 943346241 /nfs/dbraw/zinc/34/62/41/943346241.db2.gz FKCWTVJQEKGALW-AWEZNQCLSA-N 1 0 373.478 3.866 20 5 FHBDRO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000435373480 943355040 /nfs/dbraw/zinc/35/50/40/943355040.db2.gz DRZGMXWPKYFLDA-UKRRQHHQSA-N 1 0 359.401 3.695 20 5 FHBDRO CC(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000423234309 943442955 /nfs/dbraw/zinc/44/29/55/943442955.db2.gz FOCNFGNTAONNRR-QRVBRYPASA-N 1 0 371.485 3.688 20 5 FHBDRO CC[C@H](N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000423328552 943481374 /nfs/dbraw/zinc/48/13/74/943481374.db2.gz KUVQLFDOSNGKIR-HKBOAZHASA-N 1 0 369.465 3.790 20 5 FHBDRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000423337696 943483498 /nfs/dbraw/zinc/48/34/98/943483498.db2.gz RIWCJSACRXWAAR-RYGJVYDSSA-N 1 0 369.465 3.708 20 5 FHBDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417316591 943502323 /nfs/dbraw/zinc/50/23/23/943502323.db2.gz UNJFGMSUVQJBON-JTDSTZFVSA-N 1 0 359.470 3.599 20 5 FHBDRO CNC(=O)c1cccc(CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417309601 943506573 /nfs/dbraw/zinc/50/65/73/943506573.db2.gz IYKMFJLELOPEDV-HXUWFJFHSA-N 1 0 367.449 3.554 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(c3ccccn3)C1)CCCC2 ZINC000417314624 943509739 /nfs/dbraw/zinc/50/97/39/943509739.db2.gz ZHJYCLLEGGTGQY-QFBILLFUSA-N 1 0 352.438 3.626 20 5 FHBDRO C[C@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CN1C(=O)OC(C)(C)C ZINC000690822923 943514299 /nfs/dbraw/zinc/51/42/99/943514299.db2.gz JMZGVDPVJIILCC-AAEUAGOBSA-N 1 0 355.460 3.534 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1cn3ccccc3n1)CCCC2 ZINC000417323100 943515414 /nfs/dbraw/zinc/51/54/14/943515414.db2.gz NYGVUSXNZKJCRZ-IBGZPJMESA-N 1 0 350.422 3.842 20 5 FHBDRO COc1ccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c(OC)n1 ZINC000417324328 943516211 /nfs/dbraw/zinc/51/62/11/943516211.db2.gz AEFCMWAMTFPVJO-KRWDZBQOSA-N 1 0 357.410 3.564 20 5 FHBDRO Cn1nccc1[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000417325460 943516781 /nfs/dbraw/zinc/51/67/81/943516781.db2.gz CAKDWOSGBZREBN-CVAIRZPRSA-N 1 0 370.453 3.606 20 5 FHBDRO Cn1nccc1[C@@H]1C[C@@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000417325462 943516914 /nfs/dbraw/zinc/51/69/14/943516914.db2.gz CAKDWOSGBZREBN-QSFXBCCZSA-N 1 0 370.453 3.606 20 5 FHBDRO CC(C)c1ccc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000435741297 943592608 /nfs/dbraw/zinc/59/26/08/943592608.db2.gz IQMGVWAEUWLJST-SJORKVTESA-N 1 0 359.470 3.599 20 5 FHBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000473558254 943636713 /nfs/dbraw/zinc/63/67/13/943636713.db2.gz ZORLFQNXKAXCRE-UHFFFAOYSA-N 1 0 371.437 3.868 20 5 FHBDRO CC(C)c1ccc(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1[N+](=O)[O-] ZINC000424047521 943703361 /nfs/dbraw/zinc/70/33/61/943703361.db2.gz WZIMPICOJISKOQ-SFHVURJKSA-N 1 0 359.470 3.568 20 5 FHBDRO O=C(CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N1CCc2ccccc21 ZINC000584848889 943752847 /nfs/dbraw/zinc/75/28/47/943752847.db2.gz BAJLQECLBYJLRE-GOSISDBHSA-N 1 0 365.433 3.541 20 5 FHBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000516845199 943765834 /nfs/dbraw/zinc/76/58/34/943765834.db2.gz WEKOFJLHBXARLR-CQSZACIVSA-N 1 0 359.426 3.583 20 5 FHBDRO C[N@H+](CCC1CCOCC1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425411301 943827489 /nfs/dbraw/zinc/82/74/89/943827489.db2.gz AJCRFAUOJZKWHD-UHFFFAOYSA-N 1 0 357.248 3.606 20 5 FHBDRO Cc1cc(N2CCC([NH+]3CCCCC3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000515363880 943828235 /nfs/dbraw/zinc/82/82/35/943828235.db2.gz MXJAOAYFNVBUCT-UHFFFAOYSA-N 1 0 354.454 3.906 20 5 FHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424331265 943848080 /nfs/dbraw/zinc/84/80/80/943848080.db2.gz RXDXUDAVWNGGBL-OMWUSAIZSA-N 1 0 357.385 3.539 20 5 FHBDRO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000425416280 943858108 /nfs/dbraw/zinc/85/81/08/943858108.db2.gz GBWAEGAYXHIQSH-GXTWGEPZSA-N 1 0 369.259 3.606 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)Cc1ccccc1 ZINC000504900306 943876916 /nfs/dbraw/zinc/87/69/16/943876916.db2.gz VKXPQBQLDKOIOJ-IAGOWNOFSA-N 1 0 360.479 3.659 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CCO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000504917923 943898357 /nfs/dbraw/zinc/89/83/57/943898357.db2.gz DFNIBRYHZVMZKT-YOEHRIQHSA-N 1 0 350.459 3.975 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]CCn2cnc3ccccc32)cc1[N+](=O)[O-] ZINC000504912102 943908595 /nfs/dbraw/zinc/90/85/95/943908595.db2.gz QGNZTBCCGJNKRU-AWEZNQCLSA-N 1 0 354.410 3.694 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](Cc2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000504912351 943908843 /nfs/dbraw/zinc/90/88/43/943908843.db2.gz VBRAGELXKYYOQT-APWZRJJASA-N 1 0 371.481 3.817 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000504915376 943910966 /nfs/dbraw/zinc/91/09/66/943910966.db2.gz SRPPQRKKTIDXJM-QGZVFWFLSA-N 1 0 368.437 3.689 20 5 FHBDRO CCOc1ccc([C@@H](C)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000504929771 943926305 /nfs/dbraw/zinc/92/63/05/943926305.db2.gz LGUJRZGSXRCMAH-CRAIPNDOSA-N 1 0 361.486 3.909 20 5 FHBDRO C[C@@H](c1nc(-c2cccs2)no1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000517042804 943944944 /nfs/dbraw/zinc/94/49/44/943944944.db2.gz BNQZTTAYYCPOMJ-LBPRGKRZSA-N 1 0 358.423 3.942 20 5 FHBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312614931 943979650 /nfs/dbraw/zinc/97/96/50/943979650.db2.gz ZYYRLKLZOPDTNP-GDBMZVCRSA-N 1 0 370.409 3.826 20 5 FHBDRO CCC(CC)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[NH+]1CCCC1 ZINC000515540804 943994612 /nfs/dbraw/zinc/99/46/12/943994612.db2.gz FMHLARIJKDLOIO-LJQANCHMSA-N 1 0 374.485 3.792 20 5 FHBDRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000436052626 943995393 /nfs/dbraw/zinc/99/53/93/943995393.db2.gz MUGXWMUYNRHBNM-LSDHHAIUSA-N 1 0 360.483 3.532 20 5 FHBDRO C[C@@]1(c2ccccc2)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000500072491 944050764 /nfs/dbraw/zinc/05/07/64/944050764.db2.gz DFYOOFDTYFVVSN-HXUWFJFHSA-N 1 0 353.422 3.587 20 5 FHBDRO Cc1ccc(C[C@H](C)[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000500125039 944131720 /nfs/dbraw/zinc/13/17/20/944131720.db2.gz OVKNLWULORXIRO-INIZCTEOSA-N 1 0 355.438 3.795 20 5 FHBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000024927576 944147215 /nfs/dbraw/zinc/14/72/15/944147215.db2.gz VDRGJEDFPKKJOW-UHFFFAOYSA-N 1 0 372.381 3.597 20 5 FHBDRO C[S@](=O)C1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000436287291 944165863 /nfs/dbraw/zinc/16/58/63/944165863.db2.gz UHGRXIAXBLRHKN-CJAUYULYSA-N 1 0 358.463 3.575 20 5 FHBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000436288978 944176275 /nfs/dbraw/zinc/17/62/75/944176275.db2.gz LTUYQLKLNLSHGF-NRSFXHEJSA-N 1 0 360.454 3.627 20 5 FHBDRO O=C([C@@H]1CC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1)N1CCCCC1 ZINC000436301522 944185526 /nfs/dbraw/zinc/18/55/26/944185526.db2.gz ZNWJDGHEYYIQPX-UWVAXJGDSA-N 1 0 371.481 3.743 20 5 FHBDRO O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1)N1CCCCC1 ZINC000436301521 944185674 /nfs/dbraw/zinc/18/56/74/944185674.db2.gz ZNWJDGHEYYIQPX-FUHIMQAGSA-N 1 0 371.481 3.743 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000505804540 944252420 /nfs/dbraw/zinc/25/24/20/944252420.db2.gz CARPFTWQKPZYMK-AWEZNQCLSA-N 1 0 365.499 3.559 20 5 FHBDRO C[NH+](C)CCCC1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436386344 944256872 /nfs/dbraw/zinc/25/68/72/944256872.db2.gz HVFWDVPFDHTTRR-UHFFFAOYSA-N 1 0 360.380 3.567 20 5 FHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000436415098 944288520 /nfs/dbraw/zinc/28/85/20/944288520.db2.gz WKRWDBYMOZTQNV-QAPCUYQASA-N 1 0 366.465 3.885 20 5 FHBDRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)CC3 ZINC000123212079 944301535 /nfs/dbraw/zinc/30/15/35/944301535.db2.gz GPDSOSXANPDHAJ-HNNXBMFYSA-N 1 0 365.433 3.774 20 5 FHBDRO CSc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000500232406 944302776 /nfs/dbraw/zinc/30/27/76/944302776.db2.gz PLNGYNSIXMBINZ-ZDUSSCGKSA-N 1 0 359.451 3.996 20 5 FHBDRO COc1c(O)ccc(C[NH2+]Cc2ccc(C(C)(F)F)cc2)c1[N+](=O)[O-] ZINC000894608853 944304657 /nfs/dbraw/zinc/30/46/57/944304657.db2.gz AOVDAHHOANWPSI-UHFFFAOYSA-N 1 0 352.337 3.711 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000506478389 944308899 /nfs/dbraw/zinc/30/88/99/944308899.db2.gz GIRFPCVQJXGIHT-ROUUACIJSA-N 1 0 361.486 3.560 20 5 FHBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cncn2)cc1Cl ZINC000123254508 944313999 /nfs/dbraw/zinc/31/39/99/944313999.db2.gz NPWLTPAOPAXCGB-CYBMUJFWSA-N 1 0 371.828 3.722 20 5 FHBDRO Cc1nc(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c(C)o1 ZINC000500242279 944318641 /nfs/dbraw/zinc/31/86/41/944318641.db2.gz OYFZVVNSIINDTC-UHFFFAOYSA-N 1 0 358.423 3.655 20 5 FHBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438138148 944363015 /nfs/dbraw/zinc/36/30/15/944363015.db2.gz IYYJYQSLHOZOBX-SFHVURJKSA-N 1 0 374.485 3.533 20 5 FHBDRO Cc1c([C@@H](C)[NH2+]Cc2cc3ccccc3n(C)c2=O)cccc1[N+](=O)[O-] ZINC000426287561 944370673 /nfs/dbraw/zinc/37/06/73/944370673.db2.gz AGDISJJGJNUZKO-CQSZACIVSA-N 1 0 351.406 3.606 20 5 FHBDRO Cc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[NH+]2CCCC2)o1 ZINC000473779950 944440268 /nfs/dbraw/zinc/44/02/68/944440268.db2.gz RZILTMLRDKKREQ-QGZVFWFLSA-N 1 0 372.425 3.763 20 5 FHBDRO CCCCOc1ccccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425968370 944444348 /nfs/dbraw/zinc/44/43/48/944444348.db2.gz RQPAAWYAOGMQGP-UHFFFAOYSA-N 1 0 358.442 3.807 20 5 FHBDRO C[C@]1(c2ccccc2)CC[C@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000425971730 944459206 /nfs/dbraw/zinc/45/92/06/944459206.db2.gz RVDCYVBKNXQGMZ-ICSRJNTNSA-N 1 0 354.454 3.939 20 5 FHBDRO C[C@H]1CCC[C@@](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)([NH+](C)C)C1 ZINC000518525268 944471250 /nfs/dbraw/zinc/47/12/50/944471250.db2.gz OIJWWPNOOXJDQR-YVEFUNNKSA-N 1 0 368.865 3.880 20 5 FHBDRO CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000516089525 944489196 /nfs/dbraw/zinc/48/91/96/944489196.db2.gz ZLOZJAANHIGERX-GOSISDBHSA-N 1 0 353.422 3.966 20 5 FHBDRO CC[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000439276022 944497112 /nfs/dbraw/zinc/49/71/12/944497112.db2.gz PUWYOTZJLFGNKD-HXUWFJFHSA-N 1 0 358.438 3.767 20 5 FHBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(-n2cccn2)c(F)c1 ZINC000550228282 944519351 /nfs/dbraw/zinc/51/93/51/944519351.db2.gz QGLRLDCZPKUDOY-CQSZACIVSA-N 1 0 370.384 3.649 20 5 FHBDRO CC[C@@H]([NH2+]CCc1cc(F)cc2c1OCOC2)c1cccc([N+](=O)[O-])c1 ZINC000120733418 944519731 /nfs/dbraw/zinc/51/97/31/944519731.db2.gz GOZNRBQMRYQGRC-GOSISDBHSA-N 1 0 360.385 3.884 20 5 FHBDRO C[N@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)CC1(CO)CC1 ZINC000438343323 944523788 /nfs/dbraw/zinc/52/37/88/944523788.db2.gz XCKBCWVIPDQUCK-UHFFFAOYSA-N 1 0 360.385 3.731 20 5 FHBDRO Cc1nc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000133906525 944544343 /nfs/dbraw/zinc/54/43/43/944544343.db2.gz IHCFALDBXJCEER-QUCCMNQESA-N 1 0 366.465 3.789 20 5 FHBDRO Cc1cc(N2CC[C@]3(C2)C(=O)Nc2ccccc23)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000614524746 944555118 /nfs/dbraw/zinc/55/51/18/944555118.db2.gz RYFIEHHGSGWECM-OAQYLSRUSA-N 1 0 374.400 3.552 20 5 FHBDRO CC1CC[NH+](CCCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000518633633 944565074 /nfs/dbraw/zinc/56/50/74/944565074.db2.gz LDZDJYATEIKCRG-UHFFFAOYSA-N 1 0 359.426 3.583 20 5 FHBDRO CCC[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000516216877 944599269 /nfs/dbraw/zinc/59/92/69/944599269.db2.gz XQGODVINDHWTSD-UHFFFAOYSA-N 1 0 360.195 3.574 20 5 FHBDRO C[C@H](C[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000066854545 944642248 /nfs/dbraw/zinc/64/22/48/944642248.db2.gz CPCGKSFNBDOMDN-CQSZACIVSA-N 1 0 352.394 3.880 20 5 FHBDRO C[C@H]1C[N@@H+](C2CCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC2)CCO1 ZINC000408101258 944708307 /nfs/dbraw/zinc/70/83/07/944708307.db2.gz JGPSDBLFEKMIKB-NSHDSACASA-N 1 0 374.268 3.591 20 5 FHBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000518761161 944709902 /nfs/dbraw/zinc/70/99/02/944709902.db2.gz WWHQUNMCQLOJSH-HUUCEWRRSA-N 1 0 373.453 3.829 20 5 FHBDRO COc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1OCC(C)C ZINC000518777632 944736229 /nfs/dbraw/zinc/73/62/29/944736229.db2.gz MVDYVSTUMKYHCQ-UHFFFAOYSA-N 1 0 358.438 3.971 20 5 FHBDRO CC(C)c1ccc(C[N@H+](CCC(N)=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000506311681 944883621 /nfs/dbraw/zinc/88/36/21/944883621.db2.gz XSNMDOLUVSJDDQ-UHFFFAOYSA-N 1 0 355.438 3.596 20 5 FHBDRO COc1cc(C[NH2+]CCc2nc3ccccc3s2)c([N+](=O)[O-])cc1OC ZINC000566822788 944905997 /nfs/dbraw/zinc/90/59/97/944905997.db2.gz CZAUHLCYXCJDEF-UHFFFAOYSA-N 1 0 373.434 3.554 20 5 FHBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000518021073 944940322 /nfs/dbraw/zinc/94/03/22/944940322.db2.gz SSBYLHPVOHEWSP-UHFFFAOYSA-N 1 0 371.437 3.847 20 5 FHBDRO Cc1ccccc1[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000507165303 944997703 /nfs/dbraw/zinc/99/77/03/944997703.db2.gz PASMAHIMJWNCAT-MRXNPFEDSA-N 1 0 353.422 3.721 20 5 FHBDRO CC(C)[N@H+](Cc1cnn(CC(F)(F)F)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000507151913 945000893 /nfs/dbraw/zinc/00/08/93/945000893.db2.gz MENRXIPQRVARHG-UHFFFAOYSA-N 1 0 356.348 3.764 20 5 FHBDRO Cc1ccccc1[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000507179749 945010515 /nfs/dbraw/zinc/01/05/15/945010515.db2.gz HTKCHEOATPUHGB-HZPDHXFCSA-N 1 0 353.422 3.720 20 5 FHBDRO O=[N+]([O-])c1cc(F)c(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c(F)c1 ZINC000511754837 945024623 /nfs/dbraw/zinc/02/46/23/945024623.db2.gz JMEAFVSQKQVWJK-MDYRTPRTSA-N 1 0 374.387 3.878 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000507201145 945026416 /nfs/dbraw/zinc/02/64/16/945026416.db2.gz DPXSYJRDNSIDPR-INIZCTEOSA-N 1 0 353.422 3.640 20 5 FHBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000511762755 945052328 /nfs/dbraw/zinc/05/23/28/945052328.db2.gz OITFDMSKMRHOTP-SUMDDJOVSA-N 1 0 356.397 3.738 20 5 FHBDRO COc1ccc(CN(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000509548450 945059897 /nfs/dbraw/zinc/05/98/97/945059897.db2.gz HNJUWKGLLQIVMR-LJQANCHMSA-N 1 0 369.465 3.700 20 5 FHBDRO CCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@@H]1CCCCO1 ZINC000106866593 945418997 /nfs/dbraw/zinc/41/89/97/945418997.db2.gz FUOSQGUOTHBHQV-INIZCTEOSA-N 1 0 363.458 3.513 20 5 FHBDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000507706889 945479895 /nfs/dbraw/zinc/47/98/95/945479895.db2.gz ZXTWIPIRONIZAH-NVXWUHKLSA-N 1 0 355.438 3.565 20 5 FHBDRO Cc1ccc(Sc2ccc(C[NH2+]CCC(=O)N(C)C)cc2[N+](=O)[O-])cc1 ZINC000237148865 945556887 /nfs/dbraw/zinc/55/68/87/945556887.db2.gz DJTHXWUVEXZELF-UHFFFAOYSA-N 1 0 373.478 3.622 20 5 FHBDRO CC[NH+]1CCC(N(C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000125200326 945680479 /nfs/dbraw/zinc/68/04/79/945680479.db2.gz UDJHDNDOGJFSAE-UHFFFAOYSA-N 1 0 360.483 3.634 20 5 FHBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000519896461 945868805 /nfs/dbraw/zinc/86/88/05/945868805.db2.gz PXSUQXHFBIAHHO-UHFFFAOYSA-N 1 0 354.838 3.586 20 5 FHBDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000236721480 946013917 /nfs/dbraw/zinc/01/39/17/946013917.db2.gz XKFMJQQDFDRFRQ-CYBMUJFWSA-N 1 0 369.849 3.737 20 5 FHBDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000444237326 946108497 /nfs/dbraw/zinc/10/84/97/946108497.db2.gz JDMCDGDLVCWAIY-IBGZPJMESA-N 1 0 369.465 3.845 20 5 FHBDRO CC[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCC1 ZINC000444254189 946131880 /nfs/dbraw/zinc/13/18/80/946131880.db2.gz RHBIPLHWRRBBFF-UHFFFAOYSA-N 1 0 360.439 3.531 20 5 FHBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000843765694 946252592 /nfs/dbraw/zinc/25/25/92/946252592.db2.gz HJTTVSJEZHAWKT-KRWDZBQOSA-N 1 0 365.449 3.529 20 5 FHBDRO Cc1ccsc1[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549552519 946323808 /nfs/dbraw/zinc/32/38/08/946323808.db2.gz AKSFQBJRVOITCQ-ZDUSSCGKSA-N 1 0 360.357 3.807 20 5 FHBDRO Cc1cc(Cl)c(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC001126597164 946387086 /nfs/dbraw/zinc/38/70/86/946387086.db2.gz KYVIRSQASCEUHM-CQSZACIVSA-N 1 0 365.861 3.551 20 5 FHBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000475129440 946434685 /nfs/dbraw/zinc/43/46/85/946434685.db2.gz QGLUBFRCPMXTNW-IBGZPJMESA-N 1 0 360.410 3.600 20 5 FHBDRO CSc1cccc(C(=O)Nc2ccc(C)cc2C[NH+](C)C)c1[N+](=O)[O-] ZINC000186509762 946441780 /nfs/dbraw/zinc/44/17/80/946441780.db2.gz MTPWIMTWNWBMLW-UHFFFAOYSA-N 1 0 359.451 3.939 20 5 FHBDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000111372535 946445632 /nfs/dbraw/zinc/44/56/32/946445632.db2.gz FSMAKSBWASNJDO-BLLLJJGKSA-N 1 0 359.813 3.704 20 5 FHBDRO C[C@@H](NC(=O)NCCCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000111474003 946472000 /nfs/dbraw/zinc/47/20/00/946472000.db2.gz BUVQGAJDGLGJHE-MRXNPFEDSA-N 1 0 362.474 3.611 20 5 FHBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000048199098 946526471 /nfs/dbraw/zinc/52/64/71/946526471.db2.gz KKQXBNWXSMJNQU-UHFFFAOYSA-N 1 0 354.410 3.536 20 5 FHBDRO COc1ccc(OCC[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000441395902 946551300 /nfs/dbraw/zinc/55/13/00/946551300.db2.gz NYMUMGAJKCORBX-GOEBONIOSA-N 1 0 374.412 3.999 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186181032 946585526 /nfs/dbraw/zinc/58/55/26/946585526.db2.gz METJMWNHVSWFPU-UHFFFAOYSA-N 1 0 365.433 3.779 20 5 FHBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC([N@@H+]3CCC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000129512205 946591802 /nfs/dbraw/zinc/59/18/02/946591802.db2.gz DDPGGPHHNYSJNM-JKSUJKDBSA-N 1 0 374.485 3.623 20 5 FHBDRO CCS[C@H]1CCCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000112088292 946659693 /nfs/dbraw/zinc/65/96/93/946659693.db2.gz WFZARVFENAIKPC-HNNXBMFYSA-N 1 0 362.455 3.752 20 5 FHBDRO C[C@H](CC[NH+](C)C)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237446427 946713775 /nfs/dbraw/zinc/71/37/75/946713775.db2.gz YOKKRJBZMYVZGF-CQSZACIVSA-N 1 0 361.417 3.956 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000475584139 946754853 /nfs/dbraw/zinc/75/48/53/946754853.db2.gz RNZOGNRICPBZCX-UHFFFAOYSA-N 1 0 362.474 3.989 20 5 FHBDRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000475308900 946862535 /nfs/dbraw/zinc/86/25/35/946862535.db2.gz SEEIYCYHZDAJOH-UHFFFAOYSA-N 1 0 356.426 3.782 20 5 FHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000408194807 946912469 /nfs/dbraw/zinc/91/24/69/946912469.db2.gz ZHSFQARYFOWOIY-DVOMOZLQSA-N 1 0 365.861 3.726 20 5 FHBDRO COc1ccc(C[NH2+]Cc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000048818970 946929275 /nfs/dbraw/zinc/92/92/75/946929275.db2.gz DNEZCVJHVDHIBJ-UHFFFAOYSA-N 1 0 351.200 3.656 20 5 FHBDRO CCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000475356198 946937046 /nfs/dbraw/zinc/93/70/46/946937046.db2.gz SEDSLKGWPGXTKI-DLBZAZTESA-N 1 0 364.490 3.668 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](CCc3ccc(F)cc3)C3CC3)nc2c1 ZINC000444653863 947072719 /nfs/dbraw/zinc/07/27/19/947072719.db2.gz NFZXRJVHONPPNL-UHFFFAOYSA-N 1 0 354.385 3.817 20 5 FHBDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000475430769 947074884 /nfs/dbraw/zinc/07/48/84/947074884.db2.gz VVJRKTFPQNINIS-OAHLLOKOSA-N 1 0 373.478 3.671 20 5 FHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](CCO)c1ccccc1 ZINC000441429576 947089975 /nfs/dbraw/zinc/08/99/75/947089975.db2.gz OHQYSPNOAXSJQE-IBGZPJMESA-N 1 0 358.438 3.938 20 5 FHBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(N2CCCC2)c1 ZINC000444688577 947113902 /nfs/dbraw/zinc/11/39/02/947113902.db2.gz ZZYPLYWHPXROQN-AWEZNQCLSA-N 1 0 365.437 3.922 20 5 FHBDRO CSc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000440612221 947357637 /nfs/dbraw/zinc/35/76/37/947357637.db2.gz MXNYAMAYFWIGDA-QWHCGFSZSA-N 1 0 359.451 3.995 20 5 FHBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000150781170 947535542 /nfs/dbraw/zinc/53/55/42/947535542.db2.gz ZVILIDPPHKKONY-PBHICJAKSA-N 1 0 371.412 3.517 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000120347101 947599355 /nfs/dbraw/zinc/59/93/55/947599355.db2.gz BDANQIIBWDHXHR-OAHLLOKOSA-N 1 0 360.458 3.692 20 5 FHBDRO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000536349245 947626316 /nfs/dbraw/zinc/62/63/16/947626316.db2.gz PWAHLHAPLKJGKW-XOBRGWDASA-N 1 0 373.453 3.917 20 5 FHBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)c1cc2ccccc2o1 ZINC000536378150 947847876 /nfs/dbraw/zinc/84/78/76/947847876.db2.gz KLFHAAJIVWTNHX-OAHLLOKOSA-N 1 0 369.421 3.976 20 5 FHBDRO Cc1nn(C)c(NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000076713173 947902631 /nfs/dbraw/zinc/90/26/31/947902631.db2.gz AGFYEYANMUOYHK-OAHLLOKOSA-N 1 0 363.849 3.539 20 5 FHBDRO CC(C)(C)C(=O)NCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000236794442 947927811 /nfs/dbraw/zinc/92/78/11/947927811.db2.gz PGOGXVUQFSYKCZ-UHFFFAOYSA-N 1 0 361.467 3.575 20 5 FHBDRO C/C(=C\C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000785359647 948077202 /nfs/dbraw/zinc/07/72/02/948077202.db2.gz KZSHCYFSLQPPMZ-XYDKVEKUSA-N 1 0 371.412 3.556 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C(C)(C)c1ccccc1 ZINC000585754406 948261188 /nfs/dbraw/zinc/26/11/88/948261188.db2.gz MOVLIVYGSGBAJT-UHFFFAOYSA-N 1 0 371.437 3.799 20 5 FHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC3(CCOCC3)CC2)c1 ZINC000585767946 948279056 /nfs/dbraw/zinc/27/90/56/948279056.db2.gz JPYHCJYPNLSGES-UHFFFAOYSA-N 1 0 356.369 3.589 20 5 FHBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC[C@@H]21 ZINC000090112788 948662950 /nfs/dbraw/zinc/66/29/50/948662950.db2.gz DOQNLBLJZWOFEU-SJORKVTESA-N 1 0 352.438 3.577 20 5 FHBDRO CC(C)c1ccc(CN[C@H](C[S@](C)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000182097269 948663235 /nfs/dbraw/zinc/66/32/35/948663235.db2.gz VUUUCDAXQZDNIS-CJAUYULYSA-N 1 0 360.479 3.928 20 5 FHBDRO COc1ccc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000512182460 948706229 /nfs/dbraw/zinc/70/62/29/948706229.db2.gz SHAGMLVOVHCWFU-SJLPKXTDSA-N 1 0 361.486 3.690 20 5 FHBDRO COc1ccc([C@H](C)[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000109094506 209298155 /nfs/dbraw/zinc/29/81/55/209298155.db2.gz YSUBSTPOJKYSLK-HNNXBMFYSA-N 1 0 371.437 3.933 20 5 FHBDRO CC1CC[NH+]([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000072006502 208793107 /nfs/dbraw/zinc/79/31/07/208793107.db2.gz IVPUXJOXOXAWDZ-HXUWFJFHSA-N 1 0 367.449 3.798 20 5 FHBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000481414149 567909383 /nfs/dbraw/zinc/90/93/83/567909383.db2.gz OEVMLQBTLVJKSX-DGCLKSJQSA-N 1 0 358.385 3.868 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000481436977 567941737 /nfs/dbraw/zinc/94/17/37/567941737.db2.gz GAZIHPPJSJHTAX-RDTXWAMCSA-N 1 0 356.426 3.716 20 5 FHBDRO Cc1c(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000481475159 567979120 /nfs/dbraw/zinc/97/91/20/567979120.db2.gz CMYBOALEWOMHHD-UHFFFAOYSA-N 1 0 367.449 3.819 20 5 FHBDRO Cc1cc(NCc2ccc([S@](C)=O)cc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302090882 568036113 /nfs/dbraw/zinc/03/61/13/568036113.db2.gz PJWZBGIIBQWBTH-VWLOTQADSA-N 1 0 355.419 3.801 20 5 FHBDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000568448369 568039231 /nfs/dbraw/zinc/03/92/31/568039231.db2.gz IOWMYBMINORMKJ-INIZCTEOSA-N 1 0 371.437 3.593 20 5 FHBDRO Cn1cc(C[NH2+]CCc2ccc(F)cc2F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000069877718 568097335 /nfs/dbraw/zinc/09/73/35/568097335.db2.gz OPGVJTMIQMGKSJ-UHFFFAOYSA-N 1 0 372.375 3.606 20 5 FHBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)c(Cl)c1 ZINC000008120238 568189328 /nfs/dbraw/zinc/18/93/28/568189328.db2.gz GBDVYLCKMGLTDT-UHFFFAOYSA-N 1 0 368.220 3.972 20 5 FHBDRO C[C@@H]1[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000291770463 568304528 /nfs/dbraw/zinc/30/45/28/568304528.db2.gz MOYCIVSTPBPCLJ-CJNGLKHVSA-N 1 0 373.840 3.641 20 5 FHBDRO CC(C)Cc1ccc([C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000569519393 568404634 /nfs/dbraw/zinc/40/46/34/568404634.db2.gz VTIVINWYKFHTJT-HXUWFJFHSA-N 1 0 369.465 3.826 20 5 FHBDRO [NH3+]CCN(Cc1cnc(-c2ccccc2)s1)c1ccccc1[N+](=O)[O-] ZINC000569769500 568422914 /nfs/dbraw/zinc/42/29/14/568422914.db2.gz WXOBJZUUTPRJQV-UHFFFAOYSA-N 1 0 354.435 3.684 20 5 FHBDRO CSc1ccc(NC(=O)[C@H](C)N(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000570296028 568473510 /nfs/dbraw/zinc/47/35/10/568473510.db2.gz BGCVDKNMAGGSTI-AWEZNQCLSA-N 1 0 373.478 3.818 20 5 FHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000570816819 568536359 /nfs/dbraw/zinc/53/63/59/568536359.db2.gz WFTAIRIBHRXUJO-PKOBYXMFSA-N 1 0 355.438 3.992 20 5 FHBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164618859 719055912 /nfs/dbraw/zinc/05/59/12/719055912.db2.gz BZQUXJUVAZULQO-NVXWUHKLSA-N 1 0 372.856 3.744 20 5 FHBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165046288 721967783 /nfs/dbraw/zinc/96/77/83/721967783.db2.gz CRXNQMJKHDNKCV-LLVKDONJSA-N 1 0 374.272 3.536 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000178729543 936326828 /nfs/dbraw/zinc/32/68/28/936326828.db2.gz BHUOFDKBWHGZJY-CQSZACIVSA-N 1 0 366.421 3.948 20 5 FHBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000573140120 936378690 /nfs/dbraw/zinc/37/86/90/936378690.db2.gz AWKNVJDQVVDCBE-CRAIPNDOSA-N 1 0 355.438 3.913 20 5 FHBDRO CC[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000247942585 937114056 /nfs/dbraw/zinc/11/40/56/937114056.db2.gz DDPGXNHZDZPQFH-CZAAIQMYSA-N 1 0 368.481 3.941 20 5 FHBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCC(O)CC2)ccc1Oc1ccc(F)cc1 ZINC000120166816 927501806 /nfs/dbraw/zinc/50/18/06/927501806.db2.gz HHMKCKDTJKWLGL-UHFFFAOYSA-N 1 0 360.385 3.919 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000558698098 927558103 /nfs/dbraw/zinc/55/81/03/927558103.db2.gz NWJDUEPATQFRLP-WBVHZDCISA-N 1 0 368.437 3.860 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCc3ccc4c(c3)OCO4)o2)c1 ZINC000608835906 927683275 /nfs/dbraw/zinc/68/32/75/927683275.db2.gz XOJCAULPQNBHDS-UHFFFAOYSA-N 1 0 366.373 3.916 20 5 FHBDRO C[C@H]1C[C@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000510084874 927945080 /nfs/dbraw/zinc/94/50/80/927945080.db2.gz GQYJLGVIELKJPQ-WMZOPIPTSA-N 1 0 367.449 3.625 20 5 FHBDRO CCCN(CCC[NH+](C)C)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278115121 937207106 /nfs/dbraw/zinc/20/71/06/937207106.db2.gz CQIKQYXLTDWYIQ-UHFFFAOYSA-N 1 0 365.477 3.898 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000430203833 928002733 /nfs/dbraw/zinc/00/27/33/928002733.db2.gz JJGUYZPJHUEQEO-JXFKEZNVSA-N 1 0 369.465 3.604 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000430218090 928242838 /nfs/dbraw/zinc/24/28/38/928242838.db2.gz LAAONTWTFDNCCW-FQEVSTJZSA-N 1 0 370.405 3.616 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([S@@](=O)CC)C2)cc1[N+](=O)[O-] ZINC000154154180 928264634 /nfs/dbraw/zinc/26/46/34/928264634.db2.gz YWEQGWQNEFUFHQ-YDUMSZCMSA-N 1 0 368.499 3.724 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[NH+](C4CCCC4)CC3)cs2)c1 ZINC000126958349 928323536 /nfs/dbraw/zinc/32/35/36/928323536.db2.gz CNQKICCCVPPPOT-UHFFFAOYSA-N 1 0 372.494 3.779 20 5 FHBDRO Cc1ccccc1OCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001167083749 928755073 /nfs/dbraw/zinc/75/50/73/928755073.db2.gz IREQVARTFDEODZ-INIZCTEOSA-N 1 0 371.437 3.631 20 5 FHBDRO O=C(CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccccc1 ZINC000164948607 928971250 /nfs/dbraw/zinc/97/12/50/928971250.db2.gz YYQXHEGRMWVHCS-SFHVURJKSA-N 1 0 353.422 3.534 20 5 FHBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cs1 ZINC000134780718 929237099 /nfs/dbraw/zinc/23/70/99/929237099.db2.gz UYUSGAHZEHYHEO-HOTGVXAUSA-N 1 0 350.415 3.884 20 5 FHBDRO CN(C(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)c1ccccc1 ZINC000430295860 929387751 /nfs/dbraw/zinc/38/77/51/929387751.db2.gz BQLYBEJJBNZWJA-OAHLLOKOSA-N 1 0 373.840 3.733 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000120703309 929438599 /nfs/dbraw/zinc/43/85/99/929438599.db2.gz YSUGSQTYYPBPKE-ZDUSSCGKSA-N 1 0 360.385 3.802 20 5 FHBDRO C[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000165333561 929509520 /nfs/dbraw/zinc/50/95/20/929509520.db2.gz KCLXVJUSCIGDQE-HKUYNNGSSA-N 1 0 353.466 3.810 20 5 FHBDRO COc1ncccc1CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000579043173 929775852 /nfs/dbraw/zinc/77/58/52/929775852.db2.gz FUTQPXTUVLLPLD-UHFFFAOYSA-N 1 0 353.378 3.591 20 5 FHBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275676361 929834530 /nfs/dbraw/zinc/83/45/30/929834530.db2.gz BTYXXPYWCKLNBV-VBKZILBWSA-N 1 0 363.461 3.506 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]CC3(CCO)CCCC3)o2)c([N+](=O)[O-])c1 ZINC000610395570 930351201 /nfs/dbraw/zinc/35/12/01/930351201.db2.gz YVGSOBWWPVRBOZ-UHFFFAOYSA-N 1 0 374.437 3.896 20 5 FHBDRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)N2CCOCC2)o1 ZINC000118952844 930459233 /nfs/dbraw/zinc/45/92/33/930459233.db2.gz IVCNWRFJXARRTH-LPHOPBHVSA-N 1 0 373.453 3.529 20 5 FHBDRO Cc1cc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000536370132 930480000 /nfs/dbraw/zinc/48/00/00/930480000.db2.gz JKKJPKQHTFZVEQ-WMZOPIPTSA-N 1 0 373.840 3.732 20 5 FHBDRO CCc1ccc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1[N+](=O)[O-] ZINC000610436644 930588849 /nfs/dbraw/zinc/58/88/49/930588849.db2.gz JZQAILCZUSAQJN-UHFFFAOYSA-N 1 0 373.497 3.885 20 5 FHBDRO C[C@@]1(C[NH3+])CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000261632454 930627396 /nfs/dbraw/zinc/62/73/96/930627396.db2.gz CYIHYMOLWAQVCT-IBGZPJMESA-N 1 0 359.401 3.697 20 5 FHBDRO CN(c1ccccc1)c1ccc(CN2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261658225 930655683 /nfs/dbraw/zinc/65/56/83/930655683.db2.gz FNNKWRNFNOOSQH-FQEVSTJZSA-N 1 0 354.454 3.533 20 5 FHBDRO COc1ccc([C@H](C[NH+](C)C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000580459156 930700119 /nfs/dbraw/zinc/70/01/19/930700119.db2.gz FDHPIHWMFOVECZ-BEFAXECRSA-N 1 0 357.454 3.865 20 5 FHBDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1C ZINC000580493562 930747019 /nfs/dbraw/zinc/74/70/19/930747019.db2.gz MLRXRWHKYJPITH-FRFSOERESA-N 1 0 373.453 3.576 20 5 FHBDRO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000610445883 930792370 /nfs/dbraw/zinc/79/23/70/930792370.db2.gz JGGWJZQPQZWCAP-QGZVFWFLSA-N 1 0 367.449 3.640 20 5 FHBDRO CC1CCC([NH+]2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)CC1 ZINC001167416236 930799867 /nfs/dbraw/zinc/79/98/67/930799867.db2.gz GVCRRUCPEGVYQA-UHFFFAOYSA-N 1 0 351.878 3.945 20 5 FHBDRO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000610446398 930817540 /nfs/dbraw/zinc/81/75/40/930817540.db2.gz WYKOXPAGNXCNGG-QGZVFWFLSA-N 1 0 367.449 3.640 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cccn2)cc1[N+](=O)[O-] ZINC000119248258 930951786 /nfs/dbraw/zinc/95/17/86/930951786.db2.gz HNVBQHIIKNNMJO-MRXNPFEDSA-N 1 0 350.422 3.999 20 5 FHBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000160590238 930987903 /nfs/dbraw/zinc/98/79/03/930987903.db2.gz WFLOBTOBKOJLIZ-UHFFFAOYSA-N 1 0 367.858 3.514 20 5 FHBDRO CCC1(C[NH2+]Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000175867797 931202976 /nfs/dbraw/zinc/20/29/76/931202976.db2.gz CNEVKGPQVKREEQ-UHFFFAOYSA-N 1 0 362.348 3.824 20 5 FHBDRO COc1cc(C[NH2+]CC2(C)CCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000175869956 931203061 /nfs/dbraw/zinc/20/30/61/931203061.db2.gz ZPFGJIMTFOOOOB-UHFFFAOYSA-N 1 0 362.348 3.824 20 5 FHBDRO CC(=O)c1ccc(NCC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000537837128 931306697 /nfs/dbraw/zinc/30/66/97/931306697.db2.gz NDYCDAYCBFBYHI-UHFFFAOYSA-N 1 0 354.410 3.521 20 5 FHBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(F)cc1 ZINC000516616600 945070119 /nfs/dbraw/zinc/07/01/19/945070119.db2.gz LQVAQCMVKHBZPY-RDTXWAMCSA-N 1 0 362.401 3.557 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000157013062 931774561 /nfs/dbraw/zinc/77/45/61/931774561.db2.gz SAKNLNYYPFNHIF-AWEZNQCLSA-N 1 0 374.466 3.568 20 5 FHBDRO C[S@@](=O)c1ccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000610574828 932066254 /nfs/dbraw/zinc/06/62/54/932066254.db2.gz KPGHVGLPQQKADU-AREMUKBSSA-N 1 0 370.430 3.882 20 5 FHBDRO C[C@H]([NH2+]C1(CNc2ccsc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000610575746 932066617 /nfs/dbraw/zinc/06/66/17/932066617.db2.gz IVABGCHIASYVGF-AWEZNQCLSA-N 1 0 361.467 3.968 20 5 FHBDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc([N+](=O)[O-])c(F)c3)ccc2NC1=O ZINC000276312087 932173500 /nfs/dbraw/zinc/17/35/00/932173500.db2.gz MNZWSPMKDNMCKO-GTNSWQLSSA-N 1 0 373.384 3.694 20 5 FHBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000156243028 932183542 /nfs/dbraw/zinc/18/35/42/932183542.db2.gz YCLYLPLDDXJNQO-LSDHHAIUSA-N 1 0 369.421 3.587 20 5 FHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000075642058 932334747 /nfs/dbraw/zinc/33/47/47/932334747.db2.gz BIKXNKCLGKUGBP-INIZCTEOSA-N 1 0 359.470 3.626 20 5 FHBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000066725883 932518719 /nfs/dbraw/zinc/51/87/19/932518719.db2.gz HZAGMYFYLPPQSC-UHFFFAOYSA-N 1 0 355.438 3.627 20 5 FHBDRO CCOC(CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])OCC ZINC000276525971 932556169 /nfs/dbraw/zinc/55/61/69/932556169.db2.gz MVRLIEQECODYJL-RDJZCZTQSA-N 1 0 350.459 3.685 20 5 FHBDRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000891570191 932775567 /nfs/dbraw/zinc/77/55/67/932775567.db2.gz XLFANOPFSPLOJX-HNNXBMFYSA-N 1 0 370.453 3.512 20 5 FHBDRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000891573301 932780382 /nfs/dbraw/zinc/78/03/82/932780382.db2.gz JQPNKFDTWNGYCI-AWEZNQCLSA-N 1 0 361.467 3.870 20 5 FHBDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000090942806 932914850 /nfs/dbraw/zinc/91/48/50/932914850.db2.gz QYFQUROLDPYIPP-OYYNGEPBSA-N 1 0 361.392 3.969 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)C1CC1 ZINC000178232334 932926713 /nfs/dbraw/zinc/92/67/13/932926713.db2.gz ARPZGVVBAHHYEB-LJQANCHMSA-N 1 0 352.434 3.683 20 5 FHBDRO COc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1Br ZINC000101601230 933006916 /nfs/dbraw/zinc/00/69/16/933006916.db2.gz OSKZXEZUAOHUNV-UHFFFAOYSA-N 1 0 365.227 3.964 20 5 FHBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000588441939 933073984 /nfs/dbraw/zinc/07/39/84/933073984.db2.gz OEFBQTSTGCXREQ-WWVZVDDJSA-N 1 0 371.481 3.767 20 5 FHBDRO C[N@H+](C1CCCC1)C(C)(C)C(=O)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000754868535 933162684 /nfs/dbraw/zinc/16/26/84/933162684.db2.gz KZIXDFWJIQOIEA-UHFFFAOYSA-N 1 0 354.834 3.944 20 5 FHBDRO C[C@@H]([NH2+]C1(CNc2ccsc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000610575747 933178475 /nfs/dbraw/zinc/17/84/75/933178475.db2.gz IVABGCHIASYVGF-CQSZACIVSA-N 1 0 361.467 3.968 20 5 FHBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-])[NH+](C)C ZINC000510528929 933189291 /nfs/dbraw/zinc/18/92/91/933189291.db2.gz ZJAVCHPGRPXLEE-DNVCBOLYSA-N 1 0 355.438 3.633 20 5 FHBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000510548157 933212498 /nfs/dbraw/zinc/21/24/98/933212498.db2.gz QDAXHDSBCQYEMN-IERDGZPVSA-N 1 0 369.465 3.643 20 5 FHBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1C)[NH+](C)C ZINC000510553490 933218637 /nfs/dbraw/zinc/21/86/37/933218637.db2.gz RWEOLHNXJVTXGP-HRAATJIYSA-N 1 0 369.465 3.562 20 5 FHBDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000510616172 933297864 /nfs/dbraw/zinc/29/78/64/933297864.db2.gz FFDPMDAEEOBKSB-MRXNPFEDSA-N 1 0 366.421 3.968 20 5 FHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000610581382 933318535 /nfs/dbraw/zinc/31/85/35/933318535.db2.gz NLFRLRPULJWYBJ-IIAWOOMASA-N 1 0 358.442 3.573 20 5 FHBDRO Cc1cc(OCCC[C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)ccc1Cl ZINC000510723640 933525117 /nfs/dbraw/zinc/52/51/17/933525117.db2.gz SVMQJMVGCOPVGL-AWEZNQCLSA-N 1 0 366.849 3.590 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@](C)(O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000477851879 933724409 /nfs/dbraw/zinc/72/44/09/933724409.db2.gz LBVBWIMWGPMNMC-KUHUBIRLSA-N 1 0 350.459 3.975 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000431097858 933831147 /nfs/dbraw/zinc/83/11/47/933831147.db2.gz BUTLFKYUPJBEOX-UHFFFAOYSA-N 1 0 362.474 3.783 20 5 FHBDRO Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000247511401 934011368 /nfs/dbraw/zinc/01/13/68/934011368.db2.gz VSBRCUNWKOPXMR-RDTXWAMCSA-N 1 0 373.478 3.778 20 5 FHBDRO CCOc1cc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000276972914 934177939 /nfs/dbraw/zinc/17/79/39/934177939.db2.gz XHUHXUDPQISSBW-YMXBGEKHSA-N 1 0 362.451 3.582 20 5 FHBDRO Cc1cc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000535815528 934409065 /nfs/dbraw/zinc/40/90/65/934409065.db2.gz QZXXQPNXTKMYJH-UHFFFAOYSA-N 1 0 353.422 3.794 20 5 FHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000610799232 934436579 /nfs/dbraw/zinc/43/65/79/934436579.db2.gz FDZSZMORJCJTBU-OAHLLOKOSA-N 1 0 361.486 3.543 20 5 FHBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000934022200 934438112 /nfs/dbraw/zinc/43/81/12/934438112.db2.gz UWQZIXZDXKYBGK-WOJBJXKFSA-N 1 0 371.481 3.612 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccs3)CC2)c2ncccc12 ZINC000024059152 934461582 /nfs/dbraw/zinc/46/15/82/934461582.db2.gz UJFNGBQIEARKQP-UHFFFAOYSA-N 1 0 354.435 3.527 20 5 FHBDRO Cc1ccc(C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C(C)C)s1 ZINC000065161861 934509303 /nfs/dbraw/zinc/50/93/03/934509303.db2.gz LYWZDBAEOAKRJH-UHFFFAOYSA-N 1 0 373.478 3.764 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000119424628 934513141 /nfs/dbraw/zinc/51/31/41/934513141.db2.gz CNBNLCWQFCPILC-OAHLLOKOSA-N 1 0 371.437 3.500 20 5 FHBDRO Cc1cc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])ccc1C[NH+](C)C ZINC000458256978 934535086 /nfs/dbraw/zinc/53/50/86/934535086.db2.gz CHWQHURGNFOZES-UHFFFAOYSA-N 1 0 355.438 3.881 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000176225277 934644546 /nfs/dbraw/zinc/64/45/46/934644546.db2.gz HMJYEBZPLOJPBZ-UHFFFAOYSA-N 1 0 374.485 3.988 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176248991 934665236 /nfs/dbraw/zinc/66/52/36/934665236.db2.gz AECFQJZRBUJDLA-UHFFFAOYSA-N 1 0 360.458 3.822 20 5 FHBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000065208806 934667561 /nfs/dbraw/zinc/66/75/61/934667561.db2.gz JJSROFRJJIESAQ-SFHVURJKSA-N 1 0 370.405 3.582 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000611555690 934802754 /nfs/dbraw/zinc/80/27/54/934802754.db2.gz OONHLFJPECLJTB-CQSZACIVSA-N 1 0 365.499 3.700 20 5 FHBDRO CN(CCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC001167500341 934814816 /nfs/dbraw/zinc/81/48/16/934814816.db2.gz TZAZHYPMHKUDTG-UHFFFAOYSA-N 1 0 369.465 3.965 20 5 FHBDRO CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccc(C)cc1 ZINC000611565419 934936330 /nfs/dbraw/zinc/93/63/30/934936330.db2.gz BDGCVZUUVMJGRS-UHFFFAOYSA-N 1 0 371.437 3.763 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000611565436 934936380 /nfs/dbraw/zinc/93/63/80/934936380.db2.gz DIABDSVITWYXHQ-CYBMUJFWSA-N 1 0 365.499 3.557 20 5 FHBDRO Cn1cnc([N+](=O)[O-])c1CN1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000536394503 934950898 /nfs/dbraw/zinc/95/08/98/934950898.db2.gz JDSKDYDEPSTYAH-LJQANCHMSA-N 1 0 362.433 3.670 20 5 FHBDRO Cc1cccc(C2=CCN(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000538945647 934971198 /nfs/dbraw/zinc/97/11/98/934971198.db2.gz KZXJXJGAYHDCAU-UHFFFAOYSA-N 1 0 365.433 3.939 20 5 FHBDRO CC[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(C)cc1 ZINC000539255824 935118590 /nfs/dbraw/zinc/11/85/90/935118590.db2.gz QZFHCXWFQZBJEQ-RBUKOAKNSA-N 1 0 353.422 3.749 20 5 FHBDRO O=C(NCCC[NH+]1CCCCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437171586 945078672 /nfs/dbraw/zinc/07/86/72/945078672.db2.gz NRQFDFITOMPIHC-UHFFFAOYSA-N 1 0 373.375 3.610 20 5 FHBDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000551419496 935276189 /nfs/dbraw/zinc/27/61/89/935276189.db2.gz WVIUMGSEXBLMPW-IIDMSEBBSA-N 1 0 356.422 3.666 20 5 FHBDRO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000072089560 935299212 /nfs/dbraw/zinc/29/92/12/935299212.db2.gz WNYWQJROWGSFBJ-SNVBAGLBSA-N 1 0 363.767 3.942 20 5 FHBDRO O=C(c1ccccc1)c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000072089600 935299297 /nfs/dbraw/zinc/29/92/97/935299297.db2.gz GJNNCMSJLFMPSG-SFHVURJKSA-N 1 0 365.433 3.500 20 5 FHBDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000072121186 935322622 /nfs/dbraw/zinc/32/26/22/935322622.db2.gz PILGKAGWZJGVFW-UHFFFAOYSA-N 1 0 360.458 3.905 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@H]3CCc4c3cccc4O)o2)c1 ZINC000451180959 935325617 /nfs/dbraw/zinc/32/56/17/935325617.db2.gz UICPUVHWMKQZHI-KRWDZBQOSA-N 1 0 365.389 3.775 20 5 FHBDRO COCC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCOC1 ZINC000426531392 945093540 /nfs/dbraw/zinc/09/35/40/945093540.db2.gz SJBYLDWFUHANBT-CQSZACIVSA-N 1 0 362.451 3.561 20 5 FHBDRO CCCC[NH+]1CCC(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000119924452 935336697 /nfs/dbraw/zinc/33/66/97/935336697.db2.gz RDISOTOQBSEDQW-UHFFFAOYSA-N 1 0 374.485 3.533 20 5 FHBDRO CC1(C)CC(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC(C)(C)[NH2+]1 ZINC000119922638 935337530 /nfs/dbraw/zinc/33/75/30/935337530.db2.gz YBDBIFQOIDEGMQ-UHFFFAOYSA-N 1 0 374.485 3.578 20 5 FHBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000119974023 935386520 /nfs/dbraw/zinc/38/65/20/935386520.db2.gz QNQMKQHWRGNTJL-ZIAGYGMSSA-N 1 0 360.845 3.881 20 5 FHBDRO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000507286818 945102374 /nfs/dbraw/zinc/10/23/74/945102374.db2.gz RCJQPANPDCYYPF-UHFFFAOYSA-N 1 0 357.385 3.585 20 5 FHBDRO CCOC(=O)C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000158094127 935557034 /nfs/dbraw/zinc/55/70/34/935557034.db2.gz IMCPRJLKNSVTOE-UHFFFAOYSA-N 1 0 358.394 3.630 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H]4[NH2+]CC[C@@H]4C3)o2)c(Cl)c1 ZINC000427130929 945110760 /nfs/dbraw/zinc/11/07/60/945110760.db2.gz MKWSKWFAZKZYBE-SJKOYZFVSA-N 1 0 361.829 3.692 20 5 FHBDRO CCCC[N@H+](C)Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000158158600 935596832 /nfs/dbraw/zinc/59/68/32/935596832.db2.gz NYKYDLUZDQBKSC-UHFFFAOYSA-N 1 0 350.337 3.776 20 5 FHBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)c2C1 ZINC000158268012 935665660 /nfs/dbraw/zinc/66/56/60/935665660.db2.gz AGQCCGKBCMKICL-UHFFFAOYSA-N 1 0 369.421 3.584 20 5 FHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(Oc2ccccc2)nn1 ZINC000511119541 935677604 /nfs/dbraw/zinc/67/76/04/935677604.db2.gz AFPKQDZXWATOBU-UHFFFAOYSA-N 1 0 364.405 3.852 20 5 FHBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000381731057 935691945 /nfs/dbraw/zinc/69/19/45/935691945.db2.gz NEXRSRFXFVCLON-UHFFFAOYSA-N 1 0 357.429 3.830 20 5 FHBDRO COc1cc(C[N@H+](C)CC2CCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000127778218 935785273 /nfs/dbraw/zinc/78/52/73/935785273.db2.gz AFAAOHOSTHCHPM-UHFFFAOYSA-N 1 0 362.348 3.776 20 5 FHBDRO CCN(CC[NH+]1CCCCCC1)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000479617142 935867395 /nfs/dbraw/zinc/86/73/95/935867395.db2.gz KOBUSKQBMIQDNV-UHFFFAOYSA-N 1 0 362.474 3.941 20 5 FHBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000277747432 935877995 /nfs/dbraw/zinc/87/79/95/935877995.db2.gz PUHVQGWQJMTOIZ-UHFFFAOYSA-N 1 0 363.461 3.650 20 5 FHBDRO O=[N+]([O-])c1cnc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC000431469811 935924251 /nfs/dbraw/zinc/92/42/51/935924251.db2.gz FJAQCEQNCAFPNQ-UHFFFAOYSA-N 1 0 358.467 3.544 20 5 FHBDRO Cc1c(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cccc1[N+](=O)[O-] ZINC000051855290 935953798 /nfs/dbraw/zinc/95/37/98/935953798.db2.gz RFPVCMKBQGQOMY-HNNXBMFYSA-N 1 0 351.410 3.677 20 5 FHBDRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178640386 935961063 /nfs/dbraw/zinc/96/10/63/935961063.db2.gz FVJCWUOSWVAVCV-OAHLLOKOSA-N 1 0 353.422 3.550 20 5 FHBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277824831 935988420 /nfs/dbraw/zinc/98/84/20/935988420.db2.gz YNFKTHKNNXUIRT-UHFFFAOYSA-N 1 0 363.461 3.507 20 5 FHBDRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000056042020 935998341 /nfs/dbraw/zinc/99/83/41/935998341.db2.gz GQAUBWRVZNOFLS-UHFFFAOYSA-N 1 0 353.422 3.876 20 5 FHBDRO Cc1ccc(SCC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000548761486 936040317 /nfs/dbraw/zinc/04/03/17/936040317.db2.gz YUVUGHDAACHMDM-UHFFFAOYSA-N 1 0 359.451 3.614 20 5 FHBDRO C[C@@H](Cc1cccs1)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001167609096 936050284 /nfs/dbraw/zinc/05/02/84/936050284.db2.gz SAEXVEPQNPCMJK-LBPRGKRZSA-N 1 0 365.430 3.687 20 5 FHBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000582747006 936071626 /nfs/dbraw/zinc/07/16/26/936071626.db2.gz ZQTXPXJYHILSSX-CRAIPNDOSA-N 1 0 371.485 3.832 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000582756137 936081126 /nfs/dbraw/zinc/08/11/26/936081126.db2.gz UMCGVPRXMZEEJY-OAHLLOKOSA-N 1 0 362.474 3.933 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000178683225 936199032 /nfs/dbraw/zinc/19/90/32/936199032.db2.gz MAPJTGXFHSWEQB-HZPDHXFCSA-N 1 0 355.438 3.601 20 5 FHBDRO Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178685479 936201994 /nfs/dbraw/zinc/20/19/94/936201994.db2.gz FGRIQOLGHVBVGC-CVEARBPZSA-N 1 0 355.438 3.567 20 5 FHBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000078583616 936211685 /nfs/dbraw/zinc/21/16/85/936211685.db2.gz ATCSLNINXPTEKB-MRXNPFEDSA-N 1 0 367.449 3.604 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000178685070 936217639 /nfs/dbraw/zinc/21/76/39/936217639.db2.gz YFXDKOVVWRDROG-HUUCEWRRSA-N 1 0 370.453 3.647 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(COc2ccccc2)CC1 ZINC000065613811 936247309 /nfs/dbraw/zinc/24/73/09/936247309.db2.gz SNEOPUXNXCYRPU-UHFFFAOYSA-N 1 0 356.422 3.894 20 5 FHBDRO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000245524305 938302764 /nfs/dbraw/zinc/30/27/64/938302764.db2.gz NJOSELNDUSCYDR-WMLDXEAASA-N 1 0 357.458 3.585 20 5 FHBDRO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000511806523 945166316 /nfs/dbraw/zinc/16/63/16/945166316.db2.gz JYJHGWWCECHMEU-KRWDZBQOSA-N 1 0 373.497 3.786 20 5 FHBDRO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)CC(=O)N2C ZINC000278397639 938385900 /nfs/dbraw/zinc/38/59/00/938385900.db2.gz FKZLFHYFVNJVLB-YJYMSZOUSA-N 1 0 365.433 3.842 20 5 FHBDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000543853327 938399527 /nfs/dbraw/zinc/39/95/27/938399527.db2.gz NIMMXZSJMJTOJO-UKRRQHHQSA-N 1 0 367.877 3.765 20 5 FHBDRO CCOC(=O)CCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000611792716 938454446 /nfs/dbraw/zinc/45/44/46/938454446.db2.gz NNTFHEQBGJNGAW-UHFFFAOYSA-N 1 0 354.834 3.804 20 5 FHBDRO O=[N+]([O-])c1c(N[C@H](C[NH+]2CCCC2)c2ccccc2)nc2sccn21 ZINC000247325637 938459537 /nfs/dbraw/zinc/45/95/37/938459537.db2.gz NIBPFKXHLKLAGD-CQSZACIVSA-N 1 0 357.439 3.553 20 5 FHBDRO O=[N+]([O-])c1c(N[C@@H](C[NH+]2CCCC2)c2ccccc2)nc2sccn21 ZINC000247325625 938459619 /nfs/dbraw/zinc/45/96/19/938459619.db2.gz NIBPFKXHLKLAGD-AWEZNQCLSA-N 1 0 357.439 3.553 20 5 FHBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000458750169 938520930 /nfs/dbraw/zinc/52/09/30/938520930.db2.gz BAQONVYFQOZPQF-ZQIUZPCESA-N 1 0 374.441 3.677 20 5 FHBDRO CC1(C)C[C@@H]([NH2+]Cc2cccnc2-n2ccnc2)c2cc([N+](=O)[O-])ccc21 ZINC000278600391 938574266 /nfs/dbraw/zinc/57/42/66/938574266.db2.gz AOTOVMYXQVBIFZ-GOSISDBHSA-N 1 0 363.421 3.688 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(-n3cccn3)cc2)cc1[N+](=O)[O-] ZINC000480312474 938831037 /nfs/dbraw/zinc/83/10/37/938831037.db2.gz YIFYGJCHHCGVNE-INIZCTEOSA-N 1 0 350.422 3.982 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(-n3cccn3)cc2)cc1[N+](=O)[O-] ZINC000480312475 938831392 /nfs/dbraw/zinc/83/13/92/938831392.db2.gz YIFYGJCHHCGVNE-MRXNPFEDSA-N 1 0 350.422 3.982 20 5 FHBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000431550389 938864870 /nfs/dbraw/zinc/86/48/70/938864870.db2.gz MEJYJCDOMWSTPV-BBRMVZONSA-N 1 0 367.877 3.879 20 5 FHBDRO COCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090089210 938875304 /nfs/dbraw/zinc/87/53/04/938875304.db2.gz NQKIQRRIDDQOQM-UHFFFAOYSA-N 1 0 370.453 3.570 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000179105463 938942719 /nfs/dbraw/zinc/94/27/19/938942719.db2.gz TUJLPMZCIDGBHT-FQEVSTJZSA-N 1 0 369.421 3.673 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000480482600 938963040 /nfs/dbraw/zinc/96/30/40/938963040.db2.gz QYJAEHPDOUNYFJ-UHFFFAOYSA-N 1 0 369.343 3.876 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)n1 ZINC000480551239 938971429 /nfs/dbraw/zinc/97/14/29/938971429.db2.gz IFHSKJTWSXUFAX-UHFFFAOYSA-N 1 0 372.391 3.824 20 5 FHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000136085706 938991329 /nfs/dbraw/zinc/99/13/29/938991329.db2.gz BMWYYCJBXWVZOF-YJBOKZPZSA-N 1 0 358.442 3.662 20 5 FHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000611983710 939011802 /nfs/dbraw/zinc/01/18/02/939011802.db2.gz BGOIESNZFXNPPX-AWEZNQCLSA-N 1 0 363.364 3.656 20 5 FHBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188075476 939017724 /nfs/dbraw/zinc/01/77/24/939017724.db2.gz MUODZACKFMNHDE-ZDUSSCGKSA-N 1 0 353.488 3.557 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)o1 ZINC000102420766 939018616 /nfs/dbraw/zinc/01/86/16/939018616.db2.gz TVYQBFLCXHPMKF-GOSISDBHSA-N 1 0 356.353 3.817 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000472357831 939064494 /nfs/dbraw/zinc/06/44/94/939064494.db2.gz DJNOIBZMZPGOKF-AEFFLSMTSA-N 1 0 367.449 3.795 20 5 FHBDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000310053707 939113820 /nfs/dbraw/zinc/11/38/20/939113820.db2.gz RQJPVVXGOHHOLD-CYBMUJFWSA-N 1 0 355.460 3.536 20 5 FHBDRO COC[C@@H](C)[N@H+](C)Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000179373219 939126658 /nfs/dbraw/zinc/12/66/58/939126658.db2.gz LNQFQKIPFYVNBL-OAHLLOKOSA-N 1 0 374.437 3.649 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000179392264 939139883 /nfs/dbraw/zinc/13/98/83/939139883.db2.gz DZLIPQUDFODCJW-CYBMUJFWSA-N 1 0 358.394 3.616 20 5 FHBDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000179449626 939164482 /nfs/dbraw/zinc/16/44/82/939164482.db2.gz WYGMFOVYSSDHFN-INIZCTEOSA-N 1 0 363.458 3.592 20 5 FHBDRO O=[N+]([O-])c1ccccc1CN1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000507448605 945242878 /nfs/dbraw/zinc/24/28/78/945242878.db2.gz KYNMBEJXLDIYTG-UHFFFAOYSA-N 1 0 353.466 3.735 20 5 FHBDRO C[NH+](C)C1(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCCCC1 ZINC000426238835 945266279 /nfs/dbraw/zinc/26/62/79/945266279.db2.gz PXZLEBRBFNXUIZ-UHFFFAOYSA-N 1 0 374.485 3.533 20 5 FHBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000437344897 945273481 /nfs/dbraw/zinc/27/34/81/945273481.db2.gz HTFFWFMGDODDQK-KGLIPLIRSA-N 1 0 358.394 3.676 20 5 FHBDRO COc1cc(C)c([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])cc1OC ZINC000179630918 939899551 /nfs/dbraw/zinc/89/95/51/939899551.db2.gz WOTAHUPSWNENHS-CQSZACIVSA-N 1 0 360.410 3.650 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCOC4(CCOCC4)CC3)o2)c1 ZINC000364238174 939915343 /nfs/dbraw/zinc/91/53/43/939915343.db2.gz QJSZOKSHCWISIB-UHFFFAOYSA-N 1 0 372.421 3.626 20 5 FHBDRO Cc1nc(C)c([C@H](C)[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000411282504 940027422 /nfs/dbraw/zinc/02/74/22/940027422.db2.gz UZYLJCKTSRVQFR-LBPRGKRZSA-N 1 0 362.455 3.690 20 5 FHBDRO CCC[N@H+](C[C@H]1CCCCO1)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000411371162 940032877 /nfs/dbraw/zinc/03/28/77/940032877.db2.gz WUVHWDXLQGNFBQ-RHSMWYFYSA-N 1 0 374.441 3.987 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+]CCc2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000411475251 940047446 /nfs/dbraw/zinc/04/74/46/940047446.db2.gz NORRRRNWTPYRDW-AWEZNQCLSA-N 1 0 352.394 3.847 20 5 FHBDRO CCc1ccc([C@H](N[C@@H]2CC[N@H+](CC3CC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612410057 940054429 /nfs/dbraw/zinc/05/44/29/940054429.db2.gz YCVUASLUDRINSX-DYESRHJHSA-N 1 0 369.465 3.914 20 5 FHBDRO CCOc1cc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000365196606 940080201 /nfs/dbraw/zinc/08/02/01/940080201.db2.gz AYYLPXNPHYMJOE-YLJYHZDGSA-N 1 0 356.422 3.861 20 5 FHBDRO CC(C)([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000411757296 940113225 /nfs/dbraw/zinc/11/32/25/940113225.db2.gz KOWIEEFMKLNJKK-UHFFFAOYSA-N 1 0 363.364 3.727 20 5 FHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000365308325 940120781 /nfs/dbraw/zinc/12/07/81/940120781.db2.gz KYMHQKZGWGSABL-AWEZNQCLSA-N 1 0 365.499 3.652 20 5 FHBDRO Cc1c(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000065963074 940121772 /nfs/dbraw/zinc/12/17/72/940121772.db2.gz XXGWFZZOOFQLBX-UHFFFAOYSA-N 1 0 359.470 3.564 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccnn2C)C(C)C)cc1[N+](=O)[O-] ZINC000615967239 940151448 /nfs/dbraw/zinc/15/14/48/940151448.db2.gz WZVCEZIJFYEGBD-GDBMZVCRSA-N 1 0 360.458 3.817 20 5 FHBDRO COc1cc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000136740464 940156234 /nfs/dbraw/zinc/15/62/34/940156234.db2.gz WPKWYBSAQPQDRU-OAHLLOKOSA-N 1 0 364.442 3.584 20 5 FHBDRO CO[C@@](C)([C@H](C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000411979493 940170397 /nfs/dbraw/zinc/17/03/97/940170397.db2.gz ZXOHZCHTIYGOGW-DJJJIMSYSA-N 1 0 359.426 3.586 20 5 FHBDRO COc1c(O)ccc(C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)c1[N+](=O)[O-] ZINC000892508191 940209880 /nfs/dbraw/zinc/20/98/80/940209880.db2.gz NQRVKEFFFFFGTE-SNVBAGLBSA-N 1 0 368.336 3.761 20 5 FHBDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccccc3[N+](=O)[O-])ccc2NC1=O ZINC000180002240 940211238 /nfs/dbraw/zinc/21/12/38/940211238.db2.gz VIQJVBMSXKIIAF-SJKOYZFVSA-N 1 0 355.394 3.555 20 5 FHBDRO [NH3+]CCN(Cc1cc(F)cc(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000584497166 940250899 /nfs/dbraw/zinc/25/08/99/940250899.db2.gz LKKHIEFPFWKXOQ-UHFFFAOYSA-N 1 0 357.307 3.718 20 5 FHBDRO Cc1n[nH]cc1CCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180071125 940382788 /nfs/dbraw/zinc/38/27/88/940382788.db2.gz TXEYNROQCIPWOA-HXUWFJFHSA-N 1 0 350.422 3.938 20 5 FHBDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000580602024 940482125 /nfs/dbraw/zinc/48/21/25/940482125.db2.gz ZMPHSBQYXSGUAR-GDBMZVCRSA-N 1 0 371.412 3.941 20 5 FHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000582013508 940641891 /nfs/dbraw/zinc/64/18/91/940641891.db2.gz OBKJQUHQWXSUQP-IPFXWSOASA-N 1 0 352.434 3.728 20 5 FHBDRO CCC1(c2ccccc2)C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000414154877 940687297 /nfs/dbraw/zinc/68/72/97/940687297.db2.gz LYYOMRAWZQWXSE-UHFFFAOYSA-N 1 0 353.422 3.587 20 5 FHBDRO COc1ccc([C@@H](CO)C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000414190007 940737379 /nfs/dbraw/zinc/73/73/79/940737379.db2.gz RPPOEFKXZHUYEX-FOIQADDNSA-N 1 0 370.449 3.692 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000414287860 940897013 /nfs/dbraw/zinc/89/70/13/940897013.db2.gz KSXZYGSQXYWELC-ILZDJORESA-N 1 0 372.440 3.811 20 5 FHBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186330367 940978026 /nfs/dbraw/zinc/97/80/26/940978026.db2.gz XWMDBDTYEJRQDO-IBGZPJMESA-N 1 0 367.449 3.640 20 5 FHBDRO CSc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180394221 941003794 /nfs/dbraw/zinc/00/37/94/941003794.db2.gz HLLCJKLXSVCQTO-CQSZACIVSA-N 1 0 373.478 3.626 20 5 FHBDRO CC(C)[C@@H](NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000180435556 941014546 /nfs/dbraw/zinc/01/45/46/941014546.db2.gz LYAOFONAUSXDHH-FOIQADDNSA-N 1 0 355.438 3.759 20 5 FHBDRO C[C@H]([NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000180441552 941015093 /nfs/dbraw/zinc/01/50/93/941015093.db2.gz VWRVXFQLUHYITD-BLLLJJGKSA-N 1 0 368.355 3.868 20 5 FHBDRO CC(C)[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000180444369 941017594 /nfs/dbraw/zinc/01/75/94/941017594.db2.gz ZBPOIUSEFHROEZ-VBKZILBWSA-N 1 0 373.428 3.898 20 5 FHBDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000180451096 941018362 /nfs/dbraw/zinc/01/83/62/941018362.db2.gz BMBXCWZACBOSDY-NSHDSACASA-N 1 0 367.858 3.619 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCS[C@@H]4COCC[C@@H]43)o2)c1 ZINC000180456607 941023065 /nfs/dbraw/zinc/02/30/65/941023065.db2.gz JGGFWWAVYYRTRC-FUHWJXTLSA-N 1 0 360.435 3.561 20 5 FHBDRO CC(C)n1cnnc1[C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000180628594 941056934 /nfs/dbraw/zinc/05/69/34/941056934.db2.gz KMUAEPFKBIBOLH-CQSZACIVSA-N 1 0 363.849 3.800 20 5 FHBDRO CC[C@@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000180756756 941072398 /nfs/dbraw/zinc/07/23/98/941072398.db2.gz UDKDBSBYEYGFHQ-HXUWFJFHSA-N 1 0 367.449 3.958 20 5 FHBDRO CSc1cccc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000188793393 941086654 /nfs/dbraw/zinc/08/66/54/941086654.db2.gz HWGYHNNBEDDFBD-HNNXBMFYSA-N 1 0 365.499 3.557 20 5 FHBDRO CC(C)N1CC[C@@H]([NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)C1=O ZINC000180907606 941089906 /nfs/dbraw/zinc/08/99/06/941089906.db2.gz NMOAIRUXHABKGD-UKRRQHHQSA-N 1 0 373.478 3.983 20 5 FHBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])cc2)C1 ZINC000180939287 941094144 /nfs/dbraw/zinc/09/41/44/941094144.db2.gz SLCNLSDWDSOYAC-AWEZNQCLSA-N 1 0 368.437 3.661 20 5 FHBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](Cc4ccc(F)cc4)C3)nc2c1 ZINC000177087215 941099155 /nfs/dbraw/zinc/09/91/55/941099155.db2.gz HZQIXSNCGSXYTJ-AWEZNQCLSA-N 1 0 355.369 3.940 20 5 FHBDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000311251120 941151526 /nfs/dbraw/zinc/15/15/26/941151526.db2.gz PDPQELFAEFPTIJ-HNNXBMFYSA-N 1 0 373.840 3.643 20 5 FHBDRO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1(c2ccccc2)CC1 ZINC000189316479 941156193 /nfs/dbraw/zinc/15/61/93/941156193.db2.gz ZKBBGOGRECDCRR-UHFFFAOYSA-N 1 0 364.405 3.808 20 5 FHBDRO Cc1c(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)cccc1[N+](=O)[O-] ZINC000181432184 941220464 /nfs/dbraw/zinc/22/04/64/941220464.db2.gz LFJGMGDVQXLMJM-HNNXBMFYSA-N 1 0 353.422 3.881 20 5 FHBDRO Cc1c(C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000311314507 941233662 /nfs/dbraw/zinc/23/36/62/941233662.db2.gz NORRTWTWUDYDKG-UHFFFAOYSA-N 1 0 363.458 3.640 20 5 FHBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000181445040 941260475 /nfs/dbraw/zinc/26/04/75/941260475.db2.gz FEYIQMYWWWQTSR-VXGBXAGGSA-N 1 0 356.348 3.592 20 5 FHBDRO C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000178644361 941290222 /nfs/dbraw/zinc/29/02/22/941290222.db2.gz DYQMOZIWCSIXQB-NSHDSACASA-N 1 0 355.316 3.782 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(CCO)CC3)o2)c(Cl)c1 ZINC000189998763 941333270 /nfs/dbraw/zinc/33/32/70/941333270.db2.gz PRNAEMHNTUXAQZ-UHFFFAOYSA-N 1 0 350.802 3.760 20 5 FHBDRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)cn1 ZINC000414500629 941372974 /nfs/dbraw/zinc/37/29/74/941372974.db2.gz FQDRYWJVQFAIDJ-YWUYKKTFSA-N 1 0 370.453 3.582 20 5 FHBDRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)cn1 ZINC000414500626 941373196 /nfs/dbraw/zinc/37/31/96/941373196.db2.gz FQDRYWJVQFAIDJ-WMISXODJSA-N 1 0 370.453 3.582 20 5 FHBDRO C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)[C@@H]1c1cccnc1 ZINC000376738394 941398440 /nfs/dbraw/zinc/39/84/40/941398440.db2.gz DZMQRSRBDPAQOA-YWZLYKJASA-N 1 0 363.421 3.643 20 5 FHBDRO Cc1ccc(Sc2ccc(CN3CCC([NH3+])CC3)cc2[N+](=O)[O-])cc1 ZINC000414660632 941429697 /nfs/dbraw/zinc/42/96/97/941429697.db2.gz VSPPCFIABZYMSV-UHFFFAOYSA-N 1 0 357.479 3.978 20 5 FHBDRO O=[N+]([O-])c1cc(CNCC[C@H]2CCC[NH2+]2)ccc1Oc1ccc(F)cc1 ZINC000414898940 941505190 /nfs/dbraw/zinc/50/51/90/941505190.db2.gz BBHRPQBDXACAOU-MRXNPFEDSA-N 1 0 359.401 3.758 20 5 FHBDRO COc1ccc(C[NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)cc1[N+](=O)[O-] ZINC000415030529 941554887 /nfs/dbraw/zinc/55/48/87/941554887.db2.gz GHPOKXHZXIHHNV-HNNXBMFYSA-N 1 0 357.410 3.578 20 5 FHBDRO CSc1cccc(NC(=O)[C@@H](C)N(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000549170054 941571939 /nfs/dbraw/zinc/57/19/39/941571939.db2.gz GDCQDTVHUPREAM-CQSZACIVSA-N 1 0 373.478 3.818 20 5 FHBDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415190719 941665069 /nfs/dbraw/zinc/66/50/69/941665069.db2.gz ITQXTCWWOKBPHI-INIZCTEOSA-N 1 0 370.409 3.603 20 5 FHBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000415191322 941665641 /nfs/dbraw/zinc/66/56/41/941665641.db2.gz JSRDGEBMJVTQHN-ZIAGYGMSSA-N 1 0 370.409 3.779 20 5 FHBDRO Cc1c(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000549230211 941681424 /nfs/dbraw/zinc/68/14/24/941681424.db2.gz LPTPKNHLEWETKR-MRXNPFEDSA-N 1 0 361.829 3.589 20 5 FHBDRO Cc1ccc(C(=O)NC2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000051098650 941704727 /nfs/dbraw/zinc/70/47/27/941704727.db2.gz GMHGWUIHAHOTFA-CQSZACIVSA-N 1 0 373.478 3.920 20 5 FHBDRO Cc1cc(N2CCC3(CCC[N@H+]3C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000473521222 941745846 /nfs/dbraw/zinc/74/58/46/941745846.db2.gz FFBXYBZYPFVGKW-UHFFFAOYSA-N 1 0 368.275 3.730 20 5 FHBDRO CCOC(=O)c1cc(NC[C@H](c2cccs2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000433728064 941858275 /nfs/dbraw/zinc/85/82/75/941858275.db2.gz KVOPMAREDVNCGM-OAHLLOKOSA-N 1 0 363.439 3.548 20 5 FHBDRO CCOC(=O)c1cc(NC[C@@H](c2cccs2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000433728062 941858467 /nfs/dbraw/zinc/85/84/67/941858467.db2.gz KVOPMAREDVNCGM-HNNXBMFYSA-N 1 0 363.439 3.548 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000415502164 941864879 /nfs/dbraw/zinc/86/48/79/941864879.db2.gz NCTWQCNSMYEHSF-INIZCTEOSA-N 1 0 372.425 3.548 20 5 FHBDRO COc1ccccc1O[C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000513374669 941883585 /nfs/dbraw/zinc/88/35/85/941883585.db2.gz BHTACVRNJQDXRA-AWEZNQCLSA-N 1 0 360.385 3.786 20 5 FHBDRO CC[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000182596619 941946406 /nfs/dbraw/zinc/94/64/06/941946406.db2.gz XMWBXEQJIHPEQS-QGZVFWFLSA-N 1 0 361.829 3.952 20 5 FHBDRO CC(C)C[C@@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000469110811 942002063 /nfs/dbraw/zinc/00/20/63/942002063.db2.gz XWQYWCBRWOPOSZ-HNNXBMFYSA-N 1 0 361.442 3.651 20 5 FHBDRO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000101918522 942019744 /nfs/dbraw/zinc/01/97/44/942019744.db2.gz SMHSTJKPOCEUTC-UHFFFAOYSA-N 1 0 357.385 3.585 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000085620327 942027462 /nfs/dbraw/zinc/02/74/62/942027462.db2.gz KJHUCBVYMAVFKM-UHFFFAOYSA-N 1 0 362.474 3.989 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000415733118 942027689 /nfs/dbraw/zinc/02/76/89/942027689.db2.gz ARPQNCWHKHIKEI-MAUKXSAKSA-N 1 0 360.458 3.543 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000182975414 942042300 /nfs/dbraw/zinc/04/23/00/942042300.db2.gz SBUNOSYOFSCNMJ-HIFRSBDPSA-N 1 0 355.442 3.839 20 5 FHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501837480 942085711 /nfs/dbraw/zinc/08/57/11/942085711.db2.gz QKUUCAHPRGCJNR-SFHVURJKSA-N 1 0 354.410 3.553 20 5 FHBDRO CCN(CC)c1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000480872415 942105249 /nfs/dbraw/zinc/10/52/49/942105249.db2.gz BBDOVTNZYUJIDV-IBGZPJMESA-N 1 0 368.481 3.947 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)o1 ZINC000513725357 942113434 /nfs/dbraw/zinc/11/34/34/942113434.db2.gz ONTXBOKGSMXRIW-MRXNPFEDSA-N 1 0 355.438 3.915 20 5 FHBDRO COc1cc(C[N@@H+]2CCC[C@](C)(OC)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000280425238 942180792 /nfs/dbraw/zinc/18/07/92/942180792.db2.gz ZKFURCPEXBXQNO-KRWDZBQOSA-N 1 0 374.384 3.596 20 5 FHBDRO CC[NH2+]Cc1ccccc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000415957416 942187873 /nfs/dbraw/zinc/18/78/73/942187873.db2.gz PHIFIHRQMVNXLX-UHFFFAOYSA-N 1 0 368.437 3.901 20 5 FHBDRO CCS[C@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000480920859 942199122 /nfs/dbraw/zinc/19/91/22/942199122.db2.gz KVTWDROLEFYULE-CJNGLKHVSA-N 1 0 351.472 3.529 20 5 FHBDRO Cc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1[N+](=O)[O-] ZINC000103097157 942215216 /nfs/dbraw/zinc/21/52/16/942215216.db2.gz CZFKXPKXSVPKSU-KRWDZBQOSA-N 1 0 359.470 3.631 20 5 FHBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000024492704 942246901 /nfs/dbraw/zinc/24/69/01/942246901.db2.gz SGMGOHGBGIOZOB-MZEUMTGBSA-N 1 0 369.421 3.544 20 5 FHBDRO O=C(CC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420943660 942268310 /nfs/dbraw/zinc/26/83/10/942268310.db2.gz IJFYILCRCXAWBB-LBPRGKRZSA-N 1 0 359.348 3.588 20 5 FHBDRO CC(C)[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H](C)c1ccsc1 ZINC000421005468 942298834 /nfs/dbraw/zinc/29/88/34/942298834.db2.gz JIQLGEYOGRMLHL-GDBMZVCRSA-N 1 0 364.467 3.868 20 5 FHBDRO COc1ccc([C@@H]2CCCN2Cc2ccc(OC)c([N+](=O)[O-])c2)cc1OC ZINC000051283952 942343576 /nfs/dbraw/zinc/34/35/76/942343576.db2.gz HOOIHGQULIMFLG-INIZCTEOSA-N 1 0 372.421 3.958 20 5 FHBDRO C[NH+](C)[C@@H](CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000416180044 942446009 /nfs/dbraw/zinc/44/60/09/942446009.db2.gz OBHVIZXQGSKALV-FQEVSTJZSA-N 1 0 367.449 3.779 20 5 FHBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000502443421 942455622 /nfs/dbraw/zinc/45/56/22/942455622.db2.gz GKGBELWPAATWBB-AWEZNQCLSA-N 1 0 353.850 3.633 20 5 FHBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000502471435 942455786 /nfs/dbraw/zinc/45/57/86/942455786.db2.gz ZIFRGVCPQIYWQB-CQSZACIVSA-N 1 0 353.850 3.633 20 5 FHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000549407143 942464827 /nfs/dbraw/zinc/46/48/27/942464827.db2.gz AVJGYHNYDWOAPA-UHFFFAOYSA-N 1 0 356.422 3.914 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)cc1 ZINC000502530127 942503943 /nfs/dbraw/zinc/50/39/43/942503943.db2.gz PCAHKNNUFMHWDQ-IBGZPJMESA-N 1 0 360.841 3.782 20 5 FHBDRO Cc1cn2c(n1)[C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000513821866 942539363 /nfs/dbraw/zinc/53/93/63/942539363.db2.gz RPCFQZLKDIRJQP-NEWSRXKRSA-N 1 0 368.481 3.978 20 5 FHBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502557789 942539791 /nfs/dbraw/zinc/53/97/91/942539791.db2.gz FKLLPQFUNGZRSY-SFHVURJKSA-N 1 0 364.804 3.879 20 5 FHBDRO CC[C@@H]1C[C@]1([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000502564083 942545336 /nfs/dbraw/zinc/54/53/36/942545336.db2.gz TWPUCWADBFFLGE-HGHGUNKESA-N 1 0 370.449 3.558 20 5 FHBDRO COc1cc(C[N@H+](C)[C@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000429590653 942566953 /nfs/dbraw/zinc/56/69/53/942566953.db2.gz PHZWKFLHWGATMX-AAEUAGOBSA-N 1 0 358.385 3.868 20 5 FHBDRO CN(C(=O)C[NH2+][C@@H](c1ccccc1)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000104698446 942597246 /nfs/dbraw/zinc/59/72/46/942597246.db2.gz SFKKUENSIWIOGG-FQEVSTJZSA-N 1 0 353.422 3.689 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000421491115 942605635 /nfs/dbraw/zinc/60/56/35/942605635.db2.gz NKFYXTXHWDWJBP-GOSISDBHSA-N 1 0 367.449 3.558 20 5 FHBDRO O=[N+]([O-])c1cnc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(F)c1 ZINC000413300218 942617484 /nfs/dbraw/zinc/61/74/84/942617484.db2.gz JCNXHMAWKXKOBN-UHFFFAOYSA-N 1 0 370.428 3.621 20 5 FHBDRO O=[N+]([O-])c1ccc2ncnc(NC3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000312139477 942628528 /nfs/dbraw/zinc/62/85/28/942628528.db2.gz LPQQCYLMTHWZNF-UHFFFAOYSA-N 1 0 363.421 3.615 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000120251529 942647474 /nfs/dbraw/zinc/64/74/74/942647474.db2.gz RYVJCXUIXUTSAX-UHFFFAOYSA-N 1 0 374.485 3.988 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000421565167 942650364 /nfs/dbraw/zinc/65/03/64/942650364.db2.gz USXQVIKPDVBUOF-KRWDZBQOSA-N 1 0 369.421 3.849 20 5 FHBDRO CCC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000367126620 942697076 /nfs/dbraw/zinc/69/70/76/942697076.db2.gz NTJSFQQSBBENMT-WDSOQIARSA-N 1 0 362.470 3.593 20 5 FHBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC2CC2)c([N+](=O)[O-])c1 ZINC000053183748 942727985 /nfs/dbraw/zinc/72/79/85/942727985.db2.gz BRQJFVMGNVIFAN-IBGZPJMESA-N 1 0 353.422 3.925 20 5 FHBDRO Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000513754950 942756279 /nfs/dbraw/zinc/75/62/79/942756279.db2.gz OOXJPNMTOZQJKJ-LJQANCHMSA-N 1 0 368.433 3.977 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC000378505598 942840886 /nfs/dbraw/zinc/84/08/86/942840886.db2.gz DMWBZUTYNNSGRM-QGZVFWFLSA-N 1 0 368.481 3.956 20 5 FHBDRO NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000421855512 942849254 /nfs/dbraw/zinc/84/92/54/942849254.db2.gz MFCDISFNODMUSB-KNBMTAEXSA-N 1 0 367.449 3.566 20 5 FHBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000190176548 942854089 /nfs/dbraw/zinc/85/40/89/942854089.db2.gz QIGCPSIZBOUORN-CQSZACIVSA-N 1 0 373.375 3.834 20 5 FHBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000502996703 942898811 /nfs/dbraw/zinc/89/88/11/942898811.db2.gz GLGROMIJXPSGFB-KRWDZBQOSA-N 1 0 374.485 3.554 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC([C@@H]4CCCOC4)CC3)co2)cc1 ZINC000378597076 942931945 /nfs/dbraw/zinc/93/19/45/942931945.db2.gz QEGWDGSQEWOHPD-QGZVFWFLSA-N 1 0 371.437 3.888 20 5 FHBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000434895768 943033792 /nfs/dbraw/zinc/03/37/92/943033792.db2.gz NBGOYQORBFCDCA-INMHGKMJSA-N 1 0 353.422 3.800 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000434906336 943042757 /nfs/dbraw/zinc/04/27/57/943042757.db2.gz UABCDNBGRRDXQY-QAPCUYQASA-N 1 0 353.422 3.720 20 5 FHBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000434944374 943056907 /nfs/dbraw/zinc/05/69/07/943056907.db2.gz VPNWZLHTVJGBLN-MRXNPFEDSA-N 1 0 374.872 3.992 20 5 FHBDRO Cc1cccc2c1OC[C@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C2 ZINC000514696034 943228156 /nfs/dbraw/zinc/22/81/56/943228156.db2.gz IBSBDZHDJAGDQL-MOPGFXCFSA-N 1 0 352.434 3.818 20 5 FHBDRO CN(c1ccccc1)c1ccc(CN2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000435249931 943280489 /nfs/dbraw/zinc/28/04/89/943280489.db2.gz QBFHQFOMGFKIIE-UHFFFAOYSA-N 1 0 354.454 3.500 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](n4ccnn4)C3)s2)cc1 ZINC000425349004 943351987 /nfs/dbraw/zinc/35/19/87/943351987.db2.gz KAWXFSDBCAMHSY-INIZCTEOSA-N 1 0 369.450 3.752 20 5 FHBDRO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000435373476 943355200 /nfs/dbraw/zinc/35/52/00/943355200.db2.gz DRZGMXWPKYFLDA-DZGCQCFKSA-N 1 0 359.401 3.695 20 5 FHBDRO C[NH2+]C1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000435371649 943364691 /nfs/dbraw/zinc/36/46/91/943364691.db2.gz WCARUECCSXPWPO-UHFFFAOYSA-N 1 0 359.401 3.710 20 5 FHBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc4ccccc4c4cccnc34)C2)C1 ZINC000505681183 943368309 /nfs/dbraw/zinc/36/83/09/943368309.db2.gz IKEFCVQDKQQXLW-HSZRJFAPSA-N 1 0 359.473 3.946 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C\CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435394701 943380341 /nfs/dbraw/zinc/38/03/41/943380341.db2.gz OTYDAOPLHBODKZ-LZVBJTEYSA-N 1 0 366.465 3.647 20 5 FHBDRO [NH3+][C@H]1C[C@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccccc21 ZINC000423086544 943389048 /nfs/dbraw/zinc/38/90/48/943389048.db2.gz MAQZFNVYTRQYSO-HOTGVXAUSA-N 1 0 351.328 3.848 20 5 FHBDRO Cc1ccc(CN(Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000435420693 943400666 /nfs/dbraw/zinc/40/06/66/943400666.db2.gz FHVWLRVZLFOXJE-QGZVFWFLSA-N 1 0 372.494 3.504 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3(C4CC4)CCOCC3)cs2)c1 ZINC000364067861 943478095 /nfs/dbraw/zinc/47/80/95/943478095.db2.gz QABVEHOYOVMGBI-UHFFFAOYSA-N 1 0 359.451 3.767 20 5 FHBDRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000423324683 943480052 /nfs/dbraw/zinc/48/00/52/943480052.db2.gz IEXGCJONKAISPI-RYGJVYDSSA-N 1 0 369.465 3.708 20 5 FHBDRO NC(=O)Nc1ccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417320418 943513087 /nfs/dbraw/zinc/51/30/87/943513087.db2.gz JQMGXNVUDQKRAL-SFHVURJKSA-N 1 0 354.410 3.643 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)CCCC2 ZINC000417322079 943514819 /nfs/dbraw/zinc/51/48/19/943514819.db2.gz MNKBKYBBTJDHLY-DYVFJYSZSA-N 1 0 371.403 3.836 20 5 FHBDRO Cn1nc2c(c1C[NH2+][C@H]1CCCCc3ccc([N+](=O)[O-])cc31)CCCC2 ZINC000417350361 943529022 /nfs/dbraw/zinc/52/90/22/943529022.db2.gz PORIWOYNSKPJGY-SFHVURJKSA-N 1 0 354.454 3.764 20 5 FHBDRO CC(C)CCSc1ccc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000504179177 943529505 /nfs/dbraw/zinc/52/95/05/943529505.db2.gz VNYDPQUKSGHBSR-UONOGXRCSA-N 1 0 365.499 3.542 20 5 FHBDRO CCC[NH+](CCC)CCCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000446085576 943576497 /nfs/dbraw/zinc/57/64/97/943576497.db2.gz NCAJMSOMCUMLAA-UHFFFAOYSA-N 1 0 355.866 3.799 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1c1ccccc1C ZINC000053279170 943585122 /nfs/dbraw/zinc/58/51/22/943585122.db2.gz AVKJYGYDLRVRCG-SFHVURJKSA-N 1 0 369.421 3.687 20 5 FHBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000435773734 943602705 /nfs/dbraw/zinc/60/27/05/943602705.db2.gz WOYDRQAQIQPNBR-OAHLLOKOSA-N 1 0 364.421 3.653 20 5 FHBDRO CC[N@H+](Cc1ccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1)C1CC1 ZINC000511629807 943630750 /nfs/dbraw/zinc/63/07/50/943630750.db2.gz XDSSWASQXVDVAM-UHFFFAOYSA-N 1 0 367.449 3.552 20 5 FHBDRO CSc1ccc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423961787 943649906 /nfs/dbraw/zinc/64/99/06/943649906.db2.gz DYNYDICBHKMXKG-HNNXBMFYSA-N 1 0 359.451 3.527 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+]CCNC(=O)CCCc2ccccc2)cc1[N+](=O)[O-] ZINC000424323591 943844357 /nfs/dbraw/zinc/84/43/57/943844357.db2.gz KVXMFTSXCHETKR-KRWDZBQOSA-N 1 0 369.465 3.693 20 5 FHBDRO C[C@@H](c1ccncc1)N(C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425416858 943855153 /nfs/dbraw/zinc/85/51/53/943855153.db2.gz GVYBZYSZGXGSAD-NSHDSACASA-N 1 0 350.216 3.945 20 5 FHBDRO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000424337201 943869074 /nfs/dbraw/zinc/86/90/74/943869074.db2.gz ZDNZPYWOJGIZRS-RYUDHWBXSA-N 1 0 363.439 3.510 20 5 FHBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C2([NH3+])CCCCC2)no1 ZINC000424343083 943873403 /nfs/dbraw/zinc/87/34/03/943873403.db2.gz JFUCIEMBEDJHCT-SNVBAGLBSA-N 1 0 366.805 3.889 20 5 FHBDRO Cc1[nH+]c2c(n1Cc1ccc(Br)cc1[N+](=O)[O-])CCCC2 ZINC000162482171 943882601 /nfs/dbraw/zinc/88/26/01/943882601.db2.gz PUMNCRNMSIQWEN-UHFFFAOYSA-N 1 0 350.216 3.789 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn2c(n1)CCCC2 ZINC000504893562 943891084 /nfs/dbraw/zinc/89/10/84/943891084.db2.gz GJMWTHZAYQRKSC-OAHLLOKOSA-N 1 0 374.510 3.831 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000504899828 943897035 /nfs/dbraw/zinc/89/70/35/943897035.db2.gz MZXCCXJKONFYAO-BQGCOEIASA-N 1 0 350.484 3.869 20 5 FHBDRO O=[N+]([O-])c1cc(CNC2CC[NH2+]CC2)ccc1Oc1ccccc1Cl ZINC000414787009 943899289 /nfs/dbraw/zinc/89/92/89/943899289.db2.gz KYQHJQXQKXZDSQ-UHFFFAOYSA-N 1 0 361.829 3.882 20 5 FHBDRO COc1ccc([C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(OC)c1 ZINC000516994560 943899602 /nfs/dbraw/zinc/89/96/02/943899602.db2.gz RCQBAPHUCSINDV-ZDUSSCGKSA-N 1 0 369.421 3.987 20 5 FHBDRO Cc1cnc(CC[N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000425428031 943904067 /nfs/dbraw/zinc/90/40/67/943904067.db2.gz ZZVJHQRNVDGKBP-UHFFFAOYSA-N 1 0 370.272 3.797 20 5 FHBDRO Cc1ccc([C@H](C)NC(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000417847004 943908025 /nfs/dbraw/zinc/90/80/25/943908025.db2.gz JXTMURFAWCTEAN-MAUKXSAKSA-N 1 0 370.453 3.744 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(OC)c(O)c1 ZINC000504912423 943908690 /nfs/dbraw/zinc/90/86/90/943908690.db2.gz WEBIISRTYZFQQR-AWEZNQCLSA-N 1 0 362.451 3.970 20 5 FHBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417858504 943912335 /nfs/dbraw/zinc/91/23/35/943912335.db2.gz VCOVPOIMZRKZSC-KSSFIOAISA-N 1 0 370.453 3.526 20 5 FHBDRO C[C@H]1[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CCC12CCOCC2 ZINC000425431162 943921578 /nfs/dbraw/zinc/92/15/78/943921578.db2.gz HKTCRPCNEOUJJA-GFCCVEGCSA-N 1 0 369.259 3.748 20 5 FHBDRO CCOc1ccc([C@H](C)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000504929774 943926650 /nfs/dbraw/zinc/92/66/50/943926650.db2.gz LGUJRZGSXRCMAH-YJBOKZPZSA-N 1 0 361.486 3.909 20 5 FHBDRO Cn1ncc2ccc(C[NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)cc21 ZINC000517064698 943963989 /nfs/dbraw/zinc/96/39/89/943963989.db2.gz RUZBFZKZRQCUEM-GOSISDBHSA-N 1 0 350.422 3.592 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000566529106 943965209 /nfs/dbraw/zinc/96/52/09/943965209.db2.gz IDORLWGSONJFMJ-HKBOAZHASA-N 1 0 352.434 3.908 20 5 FHBDRO CC[C@H](C)c1ccc([C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)cc1 ZINC000437636096 943981684 /nfs/dbraw/zinc/98/16/84/943981684.db2.gz MXLIEVWMIJZYSY-RYGJVYDSSA-N 1 0 374.485 3.653 20 5 FHBDRO CO[C@@](C)([C@H](C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000425476998 944072828 /nfs/dbraw/zinc/07/28/28/944072828.db2.gz NUFZDTUUEOYHBE-BONVTDFDSA-N 1 0 357.248 3.651 20 5 FHBDRO CCCNc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000517215723 944110446 /nfs/dbraw/zinc/11/04/46/944110446.db2.gz WEHQCSYVXBKSCY-HNNXBMFYSA-N 1 0 370.453 3.924 20 5 FHBDRO C[NH+](C)[C@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000436272455 944170402 /nfs/dbraw/zinc/17/04/02/944170402.db2.gz HKUPQZYWMVQDAA-ZDUSSCGKSA-N 1 0 368.359 3.593 20 5 FHBDRO Cc1c([C@@H](C)[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000436292658 944178165 /nfs/dbraw/zinc/17/81/65/944178165.db2.gz BTVIZTNTJCQJKA-ZACQAIPSSA-N 1 0 359.470 3.735 20 5 FHBDRO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000382118480 944180574 /nfs/dbraw/zinc/18/05/74/944180574.db2.gz WHPUQBONQMIPHN-UGSOOPFHSA-N 1 0 373.840 3.641 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000505788892 944183371 /nfs/dbraw/zinc/18/33/71/944183371.db2.gz YJWWMMSTDBYUIT-AWEZNQCLSA-N 1 0 365.499 3.701 20 5 FHBDRO CN(CC[N@H+](C)C1CCCCC1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436316350 944194528 /nfs/dbraw/zinc/19/45/28/944194528.db2.gz JANFQNPDTWTKNG-UHFFFAOYSA-N 1 0 360.380 3.709 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000566591181 944204601 /nfs/dbraw/zinc/20/46/01/944204601.db2.gz PTHFULWLKBXFSG-KRWDZBQOSA-N 1 0 360.458 3.639 20 5 FHBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000515827661 944245912 /nfs/dbraw/zinc/24/59/12/944245912.db2.gz GLRFGDUQHFFPBA-UHFFFAOYSA-N 1 0 369.377 3.664 20 5 FHBDRO COc1cc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000184223983 944286431 /nfs/dbraw/zinc/28/64/31/944286431.db2.gz RCDDXJTXRRACLY-INIZCTEOSA-N 1 0 374.412 3.781 20 5 FHBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000543248772 944295746 /nfs/dbraw/zinc/29/57/46/944295746.db2.gz JODTVTIVWSCOOH-NWDGAFQWSA-N 1 0 353.850 3.943 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000506474082 944300982 /nfs/dbraw/zinc/30/09/82/944300982.db2.gz LAXOAUKUYWJTCY-ROUUACIJSA-N 1 0 361.486 3.560 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000506478388 944307047 /nfs/dbraw/zinc/30/70/47/944307047.db2.gz GIRFPCVQJXGIHT-QZTJIDSGSA-N 1 0 361.486 3.560 20 5 FHBDRO Cc1cccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000140075974 944365377 /nfs/dbraw/zinc/36/53/77/944365377.db2.gz GGLNQLKCDTXGBW-OAHLLOKOSA-N 1 0 373.478 3.607 20 5 FHBDRO CC(C)(C)NC(=O)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000517548870 944396731 /nfs/dbraw/zinc/39/67/31/944396731.db2.gz JSYGDYYPYOVFMJ-UHFFFAOYSA-N 1 0 361.467 3.718 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000439171691 944397090 /nfs/dbraw/zinc/39/70/90/944397090.db2.gz SMSBEMWSNGTTBD-UHFFFAOYSA-N 1 0 365.861 3.647 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC1CC[NH+](C)CC1 ZINC000506189706 944422122 /nfs/dbraw/zinc/42/21/22/944422122.db2.gz MKCZKJHKQORLPH-UHFFFAOYSA-N 1 0 365.499 3.559 20 5 FHBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccccc3OC3CCCC3)CC2)n1 ZINC000425962682 944428482 /nfs/dbraw/zinc/42/84/82/944428482.db2.gz ZBHGKAXBWLBTSU-UHFFFAOYSA-N 1 0 370.453 3.950 20 5 FHBDRO CC[N@H+](CCC(F)(F)F)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000092737629 944439218 /nfs/dbraw/zinc/43/92/18/944439218.db2.gz BCWVEDDIGIGDJG-UHFFFAOYSA-N 1 0 356.348 3.770 20 5 FHBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000418346034 944443629 /nfs/dbraw/zinc/44/36/29/944443629.db2.gz HLLBJYKRXIAGPI-GOSISDBHSA-N 1 0 370.453 3.560 20 5 FHBDRO COc1cc2c(c(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000516116899 944500354 /nfs/dbraw/zinc/50/03/54/944500354.db2.gz YYAIWWDVBMBFTC-AWEZNQCLSA-N 1 0 356.422 3.601 20 5 FHBDRO Cc1ccc(-c2ncc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)s2)o1 ZINC000425985769 944517623 /nfs/dbraw/zinc/51/76/23/944517623.db2.gz SJKBUFGRNXKAPQ-UHFFFAOYSA-N 1 0 373.438 3.653 20 5 FHBDRO C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000439333701 944544647 /nfs/dbraw/zinc/54/46/47/944544647.db2.gz WGCCDSLQFYTIRV-YVWKXTFCSA-N 1 0 370.449 3.603 20 5 FHBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cc(F)c(Cl)cc1Cl ZINC000181642319 944573775 /nfs/dbraw/zinc/57/37/75/944573775.db2.gz AENQKDASZKFHDS-SECBINFHSA-N 1 0 374.199 3.553 20 5 FHBDRO O=C1CCc2cc([N+](=O)[O-])c(NCCCCC[NH+]3CCCCC3)cc2N1 ZINC000110599691 944617332 /nfs/dbraw/zinc/61/73/32/944617332.db2.gz YUQHUIIEYSIAAJ-UHFFFAOYSA-N 1 0 360.458 3.548 20 5 FHBDRO Cc1c(C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000311314056 944638252 /nfs/dbraw/zinc/63/82/52/944638252.db2.gz AHXKQOXOWLLGOO-HOTGVXAUSA-N 1 0 363.458 3.686 20 5 FHBDRO C[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[N@@H+]1CCCC[C@@H]1C ZINC000426031534 944694367 /nfs/dbraw/zinc/69/43/67/944694367.db2.gz YHKBEMJBKAKXGS-HOTGVXAUSA-N 1 0 374.485 3.532 20 5 FHBDRO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[N@@H+]1CCC[C@@H](C)C1 ZINC000506259770 944710939 /nfs/dbraw/zinc/71/09/39/944710939.db2.gz NLMPPJOUOJEGFP-OLZOCXBDSA-N 1 0 361.467 3.660 20 5 FHBDRO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[N@@H+]1CCC[C@H](C)C1 ZINC000506259772 944711421 /nfs/dbraw/zinc/71/14/21/944711421.db2.gz NLMPPJOUOJEGFP-STQMWFEESA-N 1 0 361.467 3.660 20 5 FHBDRO C[C@H]1CCC[C@@](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)([NH+](C)C)C1 ZINC000518782458 944738160 /nfs/dbraw/zinc/73/81/60/944738160.db2.gz ZEHZHIWUBCOQNV-ORAYPTAESA-N 1 0 359.426 3.581 20 5 FHBDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000506947114 944787720 /nfs/dbraw/zinc/78/77/20/944787720.db2.gz SKDZJATXMVPWPX-WILYLXEWSA-N 1 0 373.840 3.871 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000506630205 944803210 /nfs/dbraw/zinc/80/32/10/944803210.db2.gz BCTWOPTYYYATHD-CYBMUJFWSA-N 1 0 367.515 3.803 20 5 FHBDRO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000506296375 944836484 /nfs/dbraw/zinc/83/64/84/944836484.db2.gz YPUVOJVLWLMADB-YOCVDRLZSA-N 1 0 365.433 3.959 20 5 FHBDRO O=C(C[N@@H+]1CC[C@@H]2CCC[C@@H]21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000426455516 944840031 /nfs/dbraw/zinc/84/00/31/944840031.db2.gz TWROVJBEYWOWGE-LRDDRELGSA-N 1 0 372.450 3.531 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000438733512 944962801 /nfs/dbraw/zinc/96/28/01/944962801.db2.gz PKPAEGZMBVIXDC-HXUWFJFHSA-N 1 0 365.433 3.994 20 5 FHBDRO COCC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCOC1 ZINC000426505411 945008622 /nfs/dbraw/zinc/00/86/22/945008622.db2.gz WOXLMLONXCWVTG-INIZCTEOSA-N 1 0 362.451 3.561 20 5 FHBDRO Cc1cccnc1[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000120878532 945436577 /nfs/dbraw/zinc/43/65/77/945436577.db2.gz YBDSVGPWAQRXCY-QAPCUYQASA-N 1 0 370.453 3.921 20 5 FHBDRO COc1ccc([C@@H](CNc2cccc(OC)c2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000475451256 945990579 /nfs/dbraw/zinc/99/05/79/945990579.db2.gz IJFYHAAOIAWBLU-GOSISDBHSA-N 1 0 371.437 3.861 20 5 FHBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000444223661 946090618 /nfs/dbraw/zinc/09/06/18/946090618.db2.gz JEEZRLSLBBLYIV-KRWDZBQOSA-N 1 0 355.438 3.795 20 5 FHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(C[NH+]2CCCC2)c1 ZINC000186021230 946328131 /nfs/dbraw/zinc/32/81/31/946328131.db2.gz KKRBMAOLTQVACQ-UHFFFAOYSA-N 1 0 373.840 3.774 20 5 FHBDRO Cc1nccn1C[C@@H](C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000237410870 946363243 /nfs/dbraw/zinc/36/32/43/946363243.db2.gz QZPKCPHYAAUOEI-AWEZNQCLSA-N 1 0 354.410 3.786 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+](CCO)[C@H]3CCCSC3)o2)cc1 ZINC000475494337 946442040 /nfs/dbraw/zinc/44/20/40/946442040.db2.gz QFFSFKRHUCSTCD-INIZCTEOSA-N 1 0 362.451 3.545 20 5 FHBDRO Cn1ccc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)n1 ZINC000546265756 946484822 /nfs/dbraw/zinc/48/48/22/946484822.db2.gz IIKVXSXVYHTIHV-UHFFFAOYSA-N 1 0 360.801 3.574 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000475154037 946496087 /nfs/dbraw/zinc/49/60/87/946496087.db2.gz PPKPCPDMWJDURM-HZPDHXFCSA-N 1 0 363.458 3.736 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000475154038 946496845 /nfs/dbraw/zinc/49/68/45/946496845.db2.gz PPKPCPDMWJDURM-JKSUJKDBSA-N 1 0 363.458 3.736 20 5 FHBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000475153465 946511605 /nfs/dbraw/zinc/51/16/05/946511605.db2.gz NPUSKXHSNLTCBJ-WCQYABFASA-N 1 0 358.385 3.916 20 5 FHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000475155679 946532640 /nfs/dbraw/zinc/53/26/40/946532640.db2.gz OHFANWQZYBARLV-IMJJTQAJSA-N 1 0 363.458 3.735 20 5 FHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1(Cc2ccccc2)CC1 ZINC000186578582 946589010 /nfs/dbraw/zinc/58/90/10/946589010.db2.gz YEWUVMYTQXDHED-HNNXBMFYSA-N 1 0 353.422 3.677 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000475544515 946628855 /nfs/dbraw/zinc/62/88/55/946628855.db2.gz GNFLIVXYOFLGKT-CYBMUJFWSA-N 1 0 362.474 3.844 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1-n1cc(CC[NH3+])c2cc(O)ccc21 ZINC001167990373 946634444 /nfs/dbraw/zinc/63/44/44/946634444.db2.gz RTWHAVDTUMYOJW-UHFFFAOYSA-N 1 0 369.421 3.841 20 5 FHBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H]1C ZINC000475194477 946677821 /nfs/dbraw/zinc/67/78/21/946677821.db2.gz QPACKDCEPGXPRS-GHMZBOCLSA-N 1 0 374.363 3.560 20 5 FHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCc1ccccc1F ZINC000475575581 946722646 /nfs/dbraw/zinc/72/26/46/946722646.db2.gz RSNGYETUARQFQS-CQSZACIVSA-N 1 0 359.401 3.673 20 5 FHBDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000475235862 946758038 /nfs/dbraw/zinc/75/80/38/946758038.db2.gz QBWKVSFXJLQDGO-CHWSQXEVSA-N 1 0 354.410 3.762 20 5 FHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000408194816 946913784 /nfs/dbraw/zinc/91/37/84/946913784.db2.gz ZHSFQARYFOWOIY-ZENOOKHLSA-N 1 0 365.861 3.726 20 5 FHBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000186329480 946925815 /nfs/dbraw/zinc/92/58/15/946925815.db2.gz LHEFUTJYIFGTPL-ZWKOTPCHSA-N 1 0 373.453 3.976 20 5 FHBDRO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000121471025 946967355 /nfs/dbraw/zinc/96/73/55/946967355.db2.gz VQPDDSJYUQUGAU-QGZVFWFLSA-N 1 0 371.462 3.566 20 5 FHBDRO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000121471178 946967659 /nfs/dbraw/zinc/96/76/59/946967659.db2.gz VQPDDSJYUQUGAU-KRWDZBQOSA-N 1 0 371.462 3.566 20 5 FHBDRO COCC[N@H+](CCCc1ccccc1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444595960 947020941 /nfs/dbraw/zinc/02/09/41/947020941.db2.gz KHAJMXDJICLSPA-UHFFFAOYSA-N 1 0 368.437 3.552 20 5 FHBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](COC)Cc1ccccc1 ZINC000444649658 947070039 /nfs/dbraw/zinc/07/00/39/947070039.db2.gz QUVODPJPCBPFDS-KRWDZBQOSA-N 1 0 368.437 3.551 20 5 FHBDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444649439 947070452 /nfs/dbraw/zinc/07/04/52/947070452.db2.gz JLRMIIOHTFVTFX-ZBFHGGJFSA-N 1 0 350.422 3.924 20 5 FHBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC1(c2ccccc2)CC1 ZINC000444676492 947101367 /nfs/dbraw/zinc/10/13/67/947101367.db2.gz QOICJEOAQJIHBX-HNNXBMFYSA-N 1 0 353.422 3.585 20 5 FHBDRO CC[NH+](CC)CCCC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444691205 947114464 /nfs/dbraw/zinc/11/44/64/947114464.db2.gz XQWQQLCAYCBQTM-UHFFFAOYSA-N 1 0 373.501 3.805 20 5 FHBDRO Cc1cc(C)cc(C[N@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1 ZINC000444699287 947125742 /nfs/dbraw/zinc/12/57/42/947125742.db2.gz DHJDYQFAESYYFG-UHFFFAOYSA-N 1 0 369.421 3.642 20 5 FHBDRO CC[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(OC)cc1 ZINC000181830445 947132921 /nfs/dbraw/zinc/13/29/21/947132921.db2.gz BWMMDWJSGDAMKZ-KRWDZBQOSA-N 1 0 371.437 3.981 20 5 FHBDRO COc1cccc(OC)c1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000511959740 947168872 /nfs/dbraw/zinc/16/88/72/947168872.db2.gz GTDAEDHQDPMFNR-UHFFFAOYSA-N 1 0 350.802 3.598 20 5 FHBDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c2ccc(F)cc2C1 ZINC000184527888 947298282 /nfs/dbraw/zinc/29/82/82/947298282.db2.gz BQBCCKHPRKHMTJ-XCLFUZPHSA-N 1 0 371.412 3.878 20 5 FHBDRO C[N@@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000093840155 947382260 /nfs/dbraw/zinc/38/22/60/947382260.db2.gz KNGZEQHIEFPLAC-HNNXBMFYSA-N 1 0 360.385 3.995 20 5 FHBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000181842468 947383760 /nfs/dbraw/zinc/38/37/60/947383760.db2.gz HQVVZFAPBYNWKA-INIZCTEOSA-N 1 0 357.410 3.673 20 5 FHBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000567965798 947542699 /nfs/dbraw/zinc/54/26/99/947542699.db2.gz CBLIXRRLSGWJGE-HNAYVOBHSA-N 1 0 372.469 3.511 20 5 FHBDRO C[C@@H](c1ccccc1)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CCC1 ZINC000536378182 947847765 /nfs/dbraw/zinc/84/77/65/947847765.db2.gz MUEUGFMHGMBNGN-INIZCTEOSA-N 1 0 355.438 3.620 20 5 FHBDRO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000500446377 948024352 /nfs/dbraw/zinc/02/43/52/948024352.db2.gz FGKIKMFEOSPMRQ-WQLSENKSSA-N 1 0 354.332 3.503 20 5 FHBDRO Cc1ccccc1[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000520568708 948302030 /nfs/dbraw/zinc/30/20/30/948302030.db2.gz DDTIZERKCUUJRR-WKILWMFISA-N 1 0 353.422 3.768 20 5 FHBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000574693302 948331208 /nfs/dbraw/zinc/33/12/08/948331208.db2.gz LSZNLRZEWGVJOC-STQMWFEESA-N 1 0 359.451 3.602 20 5 FHBDRO C[NH+](C)C1(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCCCCC1 ZINC000106891006 948336479 /nfs/dbraw/zinc/33/64/79/948336479.db2.gz UQIPJHCUOYJJKN-UHFFFAOYSA-N 1 0 353.850 3.633 20 5 FHBDRO COc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c(OC)c1OC ZINC000164560738 948338911 /nfs/dbraw/zinc/33/89/11/948338911.db2.gz CIDJETBALMWYSK-CYBMUJFWSA-N 1 0 360.410 3.780 20 5 FHBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000843773810 948358171 /nfs/dbraw/zinc/35/81/71/948358171.db2.gz FYKFKXNEGIDEBY-UHFFFAOYSA-N 1 0 371.412 3.933 20 5 FHBDRO C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000512165031 948602898 /nfs/dbraw/zinc/60/28/98/948602898.db2.gz KQDDACKIDOVSHM-KDOFPFPSSA-N 1 0 353.422 3.667 20 5 FHBDRO Cc1cc(N2CCC[C@H](OCC(F)(F)F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543959463 948625862 /nfs/dbraw/zinc/62/58/62/948625862.db2.gz CANJECCSWKBVCS-ZDUSSCGKSA-N 1 0 369.343 3.999 20 5 FHBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1[N+](=O)[O-] ZINC000182088652 948634440 /nfs/dbraw/zinc/63/44/40/948634440.db2.gz SUMLCFRDLJJIJS-INIZCTEOSA-N 1 0 356.470 3.906 20 5 FHBDRO CCOc1ccc(NC(=O)CN2CCC[C@]3(CC=CCC3)C2)c([N+](=O)[O-])c1 ZINC000512176295 948662797 /nfs/dbraw/zinc/66/27/97/948662797.db2.gz UVZBBDISEMFIQC-HXUWFJFHSA-N 1 0 373.453 3.754 20 5 FHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000536481618 948726505 /nfs/dbraw/zinc/72/65/05/948726505.db2.gz LMTJOKHROZDTSD-KFWWJZLASA-N 1 0 370.453 3.554 20 5 FHBDRO CC(C)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000106163078 209271881 /nfs/dbraw/zinc/27/18/81/209271881.db2.gz VZJZDAZZJFBLNS-QGZVFWFLSA-N 1 0 367.877 3.735 20 5 FHBDRO C[NH+](C)C1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCCCC1 ZINC000025443400 207896003 /nfs/dbraw/zinc/89/60/03/207896003.db2.gz KRJJNBZZJYOIHU-UHFFFAOYSA-N 1 0 353.850 3.633 20 5 FHBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(CN3CCCC3=O)cc2)cccc1[N+](=O)[O-] ZINC000128524000 567829949 /nfs/dbraw/zinc/82/99/49/567829949.db2.gz UCNYLMMRRSVQPY-MRXNPFEDSA-N 1 0 367.449 3.876 20 5 FHBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000568077423 567852202 /nfs/dbraw/zinc/85/22/02/567852202.db2.gz RZDNFBBLWOAMHV-MRXNPFEDSA-N 1 0 368.437 3.600 20 5 FHBDRO Cc1nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000150814724 567929497 /nfs/dbraw/zinc/92/94/97/567929497.db2.gz UNAYUEGOHOTEOJ-AYHJJNSGSA-N 1 0 352.438 3.906 20 5 FHBDRO CCOc1cccc([C@@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000602532282 567987095 /nfs/dbraw/zinc/98/70/95/567987095.db2.gz LJNPRBALLLVFJI-OAHLLOKOSA-N 1 0 370.453 3.708 20 5 FHBDRO Cc1cc(C)c(CNCc2cc(Br)c([N+](=O)[O-])s2)cn1 ZINC000602681119 568010107 /nfs/dbraw/zinc/01/01/07/568010107.db2.gz JVXISLFHTXUZDT-UHFFFAOYSA-N 1 0 356.245 3.720 20 5 FHBDRO Cc1ccc(CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC2CC2)cn1 ZINC000602699589 568016908 /nfs/dbraw/zinc/01/69/08/568016908.db2.gz IUHJDMJCMGUIHH-UHFFFAOYSA-N 1 0 352.394 3.852 20 5 FHBDRO C[C@@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000128582077 568033689 /nfs/dbraw/zinc/03/36/89/568033689.db2.gz PQDWPYZXKAGWPQ-OAHLLOKOSA-N 1 0 353.422 3.568 20 5 FHBDRO COc1cc(C[N@@H+]2CCCC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000481597702 568064088 /nfs/dbraw/zinc/06/40/88/568064088.db2.gz MSCCPZOLAIHALC-GFCCVEGCSA-N 1 0 358.385 3.869 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)s1 ZINC000291351740 568118497 /nfs/dbraw/zinc/11/84/97/568118497.db2.gz XGZRAYWNUCQVAM-GFCCVEGCSA-N 1 0 368.405 3.773 20 5 FHBDRO Cc1ccc(C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)cc1C ZINC000603903677 568180634 /nfs/dbraw/zinc/18/06/34/568180634.db2.gz RYYPBGCLIAUJAA-HXUWFJFHSA-N 1 0 370.449 3.616 20 5 FHBDRO O=[N+]([O-])c1c(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)nc2sccn21 ZINC000311913226 568203414 /nfs/dbraw/zinc/20/34/14/568203414.db2.gz HUKLHLWACPFCOU-OAHLLOKOSA-N 1 0 371.466 3.628 20 5 FHBDRO COCCOCc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000291640127 568236528 /nfs/dbraw/zinc/23/65/28/568236528.db2.gz BMYOCDRDGZKTQC-UHFFFAOYSA-N 1 0 358.438 3.783 20 5 FHBDRO CNC(=O)C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000482065272 568253496 /nfs/dbraw/zinc/25/34/96/568253496.db2.gz CUTMRRGTZHPOKO-RTBURBONSA-N 1 0 367.449 3.784 20 5 FHBDRO Cc1ccccc1CN1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000018110375 568257078 /nfs/dbraw/zinc/25/70/78/568257078.db2.gz WHKDHPNARIVNEY-UHFFFAOYSA-N 1 0 373.840 3.515 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000541935318 568259534 /nfs/dbraw/zinc/25/95/34/568259534.db2.gz OHTCJOWUAHKWMV-UHFFFAOYSA-N 1 0 368.481 3.955 20 5 FHBDRO COc1cc(C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)ccc1[N+](=O)[O-] ZINC000541955073 568284851 /nfs/dbraw/zinc/28/48/51/568284851.db2.gz UYXAPFAPKZEANA-CQSZACIVSA-N 1 0 366.421 3.948 20 5 FHBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCc3nc(-c4ccccc4)ncc3C2)cs1 ZINC000604557384 568314057 /nfs/dbraw/zinc/31/40/57/568314057.db2.gz ONBSHXGQTYAVQU-INIZCTEOSA-N 1 0 366.446 3.760 20 5 FHBDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000569310222 568361647 /nfs/dbraw/zinc/36/16/47/568361647.db2.gz IKCZVYXOZXONMQ-KRWDZBQOSA-N 1 0 352.394 3.807 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]CC3([C@H](O)C(C)C)CC3)o2)c([N+](=O)[O-])c1 ZINC000569348172 568395752 /nfs/dbraw/zinc/39/57/52/568395752.db2.gz JPNLREHOKYMAIO-LJQANCHMSA-N 1 0 374.437 3.750 20 5 FHBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](c2c(Cl)cccc2Cl)C2CC2)c1 ZINC000569394684 568400458 /nfs/dbraw/zinc/40/04/58/568400458.db2.gz JILJIMMSNRHJTM-OAHLLOKOSA-N 1 0 355.225 3.839 20 5 FHBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000570597841 568490093 /nfs/dbraw/zinc/49/00/93/568490093.db2.gz ZTXJIDKVCCWKMK-WBVHZDCISA-N 1 0 359.470 3.888 20 5 FHBDRO COC(=O)COc1ccc(C[N@H+](C)[C@H](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000570742340 568513582 /nfs/dbraw/zinc/51/35/82/568513582.db2.gz FHQIWXWRDGSHAN-CQSZACIVSA-N 1 0 364.442 3.547 20 5 FHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000584720140 568576453 /nfs/dbraw/zinc/57/64/53/568576453.db2.gz USLZOGGQEQAHFB-HXUWFJFHSA-N 1 0 365.477 3.924 20 5 FHBDRO CC[C@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000825141343 609148570 /nfs/dbraw/zinc/14/85/70/609148570.db2.gz NXSQRHDCYATKQF-DIFFPNOSSA-N 1 0 370.388 3.716 20 5 FHBDRO CC[C@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000825143611 609339085 /nfs/dbraw/zinc/33/90/85/609339085.db2.gz WYHSJPTXGGZNAA-DIFFPNOSSA-N 1 0 370.388 3.716 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164623617 719082961 /nfs/dbraw/zinc/08/29/61/719082961.db2.gz JXYCFZIVGROJFT-RTBURBONSA-N 1 0 366.465 3.707 20 5 FHBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164774412 721303185 /nfs/dbraw/zinc/30/31/85/721303185.db2.gz BIKOHMCCXPMSRF-UHFFFAOYSA-N 1 0 372.856 3.719 20 5 FHBDRO CC[NH+](CC)C1CCN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])CC1 ZINC001165053532 722001740 /nfs/dbraw/zinc/00/17/40/722001740.db2.gz OTRICPMULXROKQ-UHFFFAOYSA-N 1 0 363.849 3.502 20 5 FHBDRO CC[NH+](CC)C1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC001115916786 722006301 /nfs/dbraw/zinc/00/63/01/722006301.db2.gz JPNJWPNPCUVTLB-UHFFFAOYSA-N 1 0 369.469 3.671 20 5 FHBDRO CC(C)(C)OC(=O)C1(Nc2cc([N+](=O)[O-])ccc2Cl)CCC([NH3+])CC1 ZINC001167643137 936333794 /nfs/dbraw/zinc/33/37/94/936333794.db2.gz OBTNTJXDFAWXII-UHFFFAOYSA-N 1 0 369.849 3.642 20 5 FHBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000048885999 936383746 /nfs/dbraw/zinc/38/37/46/936383746.db2.gz OLRSBWHSWFDPGK-HUUCEWRRSA-N 1 0 371.437 3.596 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000120091725 927139613 /nfs/dbraw/zinc/13/96/13/927139613.db2.gz IKCNZMISFVLDHT-MRXNPFEDSA-N 1 0 362.474 3.701 20 5 FHBDRO COc1cccc([C@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)N(C)C)c1 ZINC000133682515 927544412 /nfs/dbraw/zinc/54/44/12/927544412.db2.gz QWSKXXZVXKEBQK-YWZLYKJASA-N 1 0 357.454 3.865 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000430200151 927938938 /nfs/dbraw/zinc/93/89/38/927938938.db2.gz FYNICRDEXOWHNV-AWEZNQCLSA-N 1 0 366.421 3.948 20 5 FHBDRO C[C@@H]1C[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000510084873 927945389 /nfs/dbraw/zinc/94/53/89/927945389.db2.gz GQYJLGVIELKJPQ-SJLPKXTDSA-N 1 0 367.449 3.625 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000430202098 927971551 /nfs/dbraw/zinc/97/15/51/927971551.db2.gz FDMZKDIVBSWYDE-CQSZACIVSA-N 1 0 352.394 3.640 20 5 FHBDRO CCc1nc(C(C)C)ccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000559187846 928936702 /nfs/dbraw/zinc/93/67/02/928936702.db2.gz RACSNFRJUZCSFV-UHFFFAOYSA-N 1 0 357.458 3.709 20 5 FHBDRO CCC(CC)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)cc1 ZINC000535623866 929219191 /nfs/dbraw/zinc/21/91/91/929219191.db2.gz FAJBOMJWKKMTCP-UHFFFAOYSA-N 1 0 363.845 3.715 20 5 FHBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000178861135 937339338 /nfs/dbraw/zinc/33/93/38/937339338.db2.gz XFJWCPBRMJZVMD-UHFFFAOYSA-N 1 0 373.840 3.643 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000471458140 929736435 /nfs/dbraw/zinc/73/64/35/929736435.db2.gz CRJOPWLCMDQJEC-MRXNPFEDSA-N 1 0 355.438 3.544 20 5 FHBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000175825638 929769594 /nfs/dbraw/zinc/76/95/94/929769594.db2.gz INAHFFSOZQHQBB-PBHICJAKSA-N 1 0 362.451 3.623 20 5 FHBDRO Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3C)C2=O)cc1 ZINC000580023615 929907547 /nfs/dbraw/zinc/90/75/47/929907547.db2.gz ZMQUSZSDDJVPRU-UZLBHIALSA-N 1 0 367.449 3.663 20 5 FHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccco1 ZINC000175877783 930147662 /nfs/dbraw/zinc/14/76/62/930147662.db2.gz KJGLCOYQNWUUIE-AWEZNQCLSA-N 1 0 365.817 3.654 20 5 FHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548060508 930233577 /nfs/dbraw/zinc/23/35/77/930233577.db2.gz RNMGHEYMIHVGOQ-UHFFFAOYSA-N 1 0 361.486 3.986 20 5 FHBDRO COc1cc2c(cc1C[NH2+][C@H]1CCc3c1cccc3[N+](=O)[O-])O[C@@H](C)C2 ZINC000580094004 930239212 /nfs/dbraw/zinc/23/92/12/930239212.db2.gz LAQGNRWXWWECQR-SJCJKPOMSA-N 1 0 354.406 3.704 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3c[nH]nc3-c3ccsc3)c2c1 ZINC000583403954 937411637 /nfs/dbraw/zinc/41/16/37/937411637.db2.gz ZHVNBZNZPMZQIK-UHFFFAOYSA-N 1 0 367.434 3.860 20 5 FHBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1OCC(=O)NC ZINC000610420423 930489963 /nfs/dbraw/zinc/48/99/63/930489963.db2.gz ZNMUEYACHMDNHQ-KDOFPFPSSA-N 1 0 371.437 3.522 20 5 FHBDRO C[C@H]([NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000610420528 930494700 /nfs/dbraw/zinc/49/47/00/930494700.db2.gz KMPZCVOTJKVTAK-MJEQTWJJSA-N 1 0 368.355 3.780 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1CNC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000379674209 930517743 /nfs/dbraw/zinc/51/77/43/930517743.db2.gz SXJSRGQTYHXJBC-UHFFFAOYSA-N 1 0 357.454 3.604 20 5 FHBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1C ZINC000580493564 930746796 /nfs/dbraw/zinc/74/67/96/930746796.db2.gz MLRXRWHKYJPITH-UKPHBRMFSA-N 1 0 373.453 3.576 20 5 FHBDRO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000610445882 930792088 /nfs/dbraw/zinc/79/20/88/930792088.db2.gz JGGWJZQPQZWCAP-KRWDZBQOSA-N 1 0 367.449 3.640 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000610445636 930809052 /nfs/dbraw/zinc/80/90/52/930809052.db2.gz ACNNFWDRIUABBI-QGZVFWFLSA-N 1 0 367.449 3.640 20 5 FHBDRO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000261885218 930882202 /nfs/dbraw/zinc/88/22/02/930882202.db2.gz AVLPFPMWAPQUEB-GOSISDBHSA-N 1 0 367.405 3.715 20 5 FHBDRO O=C(CC[NH2+]CCc1cccc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000579861748 931155494 /nfs/dbraw/zinc/15/54/94/931155494.db2.gz MHWJVYPPMZNJSU-UHFFFAOYSA-N 1 0 363.417 3.909 20 5 FHBDRO CCCCOc1ncccc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000580827125 931231189 /nfs/dbraw/zinc/23/11/89/931231189.db2.gz ICVRIHILJULVPG-IAGOWNOFSA-N 1 0 373.457 3.639 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3ccnc3)cc2)cc1[N+](=O)[O-] ZINC000177934257 931633313 /nfs/dbraw/zinc/63/33/13/931633313.db2.gz OBLJUWDEKKJTNU-MRXNPFEDSA-N 1 0 350.422 3.999 20 5 FHBDRO C[C@@H]([NH2+]CCCC(=O)N(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000177988243 931939320 /nfs/dbraw/zinc/93/93/20/931939320.db2.gz QJBRVESPCDCCOX-CYBMUJFWSA-N 1 0 361.467 3.842 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(CN3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000177993470 931990358 /nfs/dbraw/zinc/99/03/58/931990358.db2.gz LBNRFXDUYKXYQU-MRXNPFEDSA-N 1 0 367.449 3.876 20 5 FHBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000610505260 932015550 /nfs/dbraw/zinc/01/55/50/932015550.db2.gz DPJTZCGYGZTYMQ-QGZVFWFLSA-N 1 0 373.384 3.518 20 5 FHBDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)NC ZINC000610420400 932023196 /nfs/dbraw/zinc/02/31/96/932023196.db2.gz OBEDQSCBBGBKRV-WMLDXEAASA-N 1 0 371.437 3.522 20 5 FHBDRO CC(C)OC1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000090771905 932071608 /nfs/dbraw/zinc/07/16/08/932071608.db2.gz SUKIAEZYNUTYGQ-SYJJWHGVSA-N 1 0 363.458 3.638 20 5 FHBDRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000178018295 932106299 /nfs/dbraw/zinc/10/62/99/932106299.db2.gz JQGFMGQUJMMYAL-LLVKDONJSA-N 1 0 357.838 3.593 20 5 FHBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000276241638 932119799 /nfs/dbraw/zinc/11/97/99/932119799.db2.gz PHULSPRHQAWLNU-UHFFFAOYSA-N 1 0 351.450 3.507 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)C3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000134494526 932141446 /nfs/dbraw/zinc/14/14/46/932141446.db2.gz JVLAIFREXSVRFR-CYBMUJFWSA-N 1 0 360.410 3.768 20 5 FHBDRO C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000581584905 932276659 /nfs/dbraw/zinc/27/66/59/932276659.db2.gz FLGHZZUSIUOPCV-INIZCTEOSA-N 1 0 367.449 3.611 20 5 FHBDRO COc1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)c([N+](=O)[O-])cc1O ZINC000610511551 932280171 /nfs/dbraw/zinc/28/01/71/932280171.db2.gz ANEFMTBRLXUIOY-JQWIXIFHSA-N 1 0 362.348 3.767 20 5 FHBDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@H]1C ZINC000276398078 932339392 /nfs/dbraw/zinc/33/93/92/932339392.db2.gz JZKZWJXQYJKLLN-RHSMWYFYSA-N 1 0 365.429 3.577 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCC[NH+]1CCCCCC1 ZINC000477291967 932452312 /nfs/dbraw/zinc/45/23/12/932452312.db2.gz ITVOWLYXILCGGF-UHFFFAOYSA-N 1 0 353.850 3.553 20 5 FHBDRO CCOC(CC[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-])OCC ZINC000276456353 932454304 /nfs/dbraw/zinc/45/43/04/932454304.db2.gz BJANVKYWVAQKFK-AWEZNQCLSA-N 1 0 356.488 3.844 20 5 FHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157435237 932546132 /nfs/dbraw/zinc/54/61/32/932546132.db2.gz CKABXDLDCUGTTJ-SFHVURJKSA-N 1 0 361.486 3.832 20 5 FHBDRO Cc1c([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)nnn1-c1ccc(F)cc1 ZINC000090910000 932602753 /nfs/dbraw/zinc/60/27/53/932602753.db2.gz DMNBHFGXMDYXMH-ZDUSSCGKSA-N 1 0 369.400 3.516 20 5 FHBDRO CC(C)[NH+](CCSCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)C ZINC000161022438 932625852 /nfs/dbraw/zinc/62/58/52/932625852.db2.gz LLQDMBCHJKQSGI-UHFFFAOYSA-N 1 0 357.451 3.524 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@@H]([NH+]3CCCC3)C2)o1 ZINC000510470995 932806607 /nfs/dbraw/zinc/80/66/07/932806607.db2.gz ZLFPXGAKNAURFJ-MRXNPFEDSA-N 1 0 355.438 3.915 20 5 FHBDRO C/C(=C\C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000785071715 932834631 /nfs/dbraw/zinc/83/46/31/932834631.db2.gz XNTXJNRLVGMSLN-VUVZNRFTSA-N 1 0 371.412 3.556 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000178201808 932842282 /nfs/dbraw/zinc/84/22/82/932842282.db2.gz RYCHXFMDRCQJLL-JTQLQIEISA-N 1 0 367.327 3.610 20 5 FHBDRO CCc1ccc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000471800587 932954573 /nfs/dbraw/zinc/95/45/73/932954573.db2.gz SEXDRTOQCORBRQ-UHFFFAOYSA-N 1 0 373.497 3.885 20 5 FHBDRO Cn1c2c(nc1[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000548350831 933070260 /nfs/dbraw/zinc/07/02/60/933070260.db2.gz ZXUMYOCTOGMUMQ-LJQANCHMSA-N 1 0 354.454 3.587 20 5 FHBDRO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])C1(C)C ZINC001167490567 933076009 /nfs/dbraw/zinc/07/60/09/933076009.db2.gz DMLOYNAVVPSAIF-ZBFHGGJFSA-N 1 0 371.275 3.993 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](c4ncc[nH]4)C3)o2)cc1 ZINC000510524854 933181098 /nfs/dbraw/zinc/18/10/98/933181098.db2.gz REWWAZFDEWJZBH-OAHLLOKOSA-N 1 0 352.394 3.958 20 5 FHBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C)[NH+](C)C ZINC000510519709 933185180 /nfs/dbraw/zinc/18/51/80/933185180.db2.gz CUIBEFFSMRNDBV-KXBFYZLASA-N 1 0 355.438 3.633 20 5 FHBDRO CC(C)c1ccc(CN2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000430761506 933214829 /nfs/dbraw/zinc/21/48/29/933214829.db2.gz MAVCPGMXDUAKCJ-GUXCAODWSA-N 1 0 362.470 3.877 20 5 FHBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000430830603 933280981 /nfs/dbraw/zinc/28/09/81/933280981.db2.gz OWGCCVSOFCDQHR-SUMWQHHRSA-N 1 0 367.877 3.879 20 5 FHBDRO CCc1ccc(C(=O)NCC2CC[NH+](CCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000430878418 933360017 /nfs/dbraw/zinc/36/00/17/933360017.db2.gz OHVICHVZRRSBFW-UHFFFAOYSA-N 1 0 361.486 3.645 20 5 FHBDRO O=C(C[C@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000430988929 933627031 /nfs/dbraw/zinc/62/70/31/933627031.db2.gz NICXZEBOBVEROQ-CQSZACIVSA-N 1 0 360.435 3.773 20 5 FHBDRO C[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCCCC1 ZINC000610655706 933658982 /nfs/dbraw/zinc/65/89/82/933658982.db2.gz QQTIPBYZMZRXBN-UHFFFAOYSA-N 1 0 374.466 3.921 20 5 FHBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)C1 ZINC000247463507 933779241 /nfs/dbraw/zinc/77/92/41/933779241.db2.gz RFQGGYVNQZTLCE-WFASDCNBSA-N 1 0 361.467 3.612 20 5 FHBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCCCO1 ZINC000610717463 933930518 /nfs/dbraw/zinc/93/05/18/933930518.db2.gz WUZLOJGFDLATST-OAHLLOKOSA-N 1 0 358.385 3.881 20 5 FHBDRO CCC[C@H]1CCCC[C@@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000548487499 934159538 /nfs/dbraw/zinc/15/95/38/934159538.db2.gz FIODHOUUMZYRLN-HOCLYGCPSA-N 1 0 361.442 3.841 20 5 FHBDRO Cc1ccc(NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000431241694 934231683 /nfs/dbraw/zinc/23/16/83/934231683.db2.gz FSDCOUGFYKMPAM-CHWSQXEVSA-N 1 0 373.375 3.751 20 5 FHBDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000610804512 934439794 /nfs/dbraw/zinc/43/97/94/934439794.db2.gz UXOMYWOVLMQCEG-SJORKVTESA-N 1 0 358.438 3.611 20 5 FHBDRO Cc1noc(C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277108377 934492837 /nfs/dbraw/zinc/49/28/37/934492837.db2.gz MHXOBKNTOYXPQS-UGSOOPFHSA-N 1 0 352.394 3.921 20 5 FHBDRO COc1cc(N[C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc(OC)c1 ZINC000610865326 934541053 /nfs/dbraw/zinc/54/10/53/934541053.db2.gz NFGKXUQLBKHZDM-INIZCTEOSA-N 1 0 371.437 3.689 20 5 FHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458266019 934561115 /nfs/dbraw/zinc/56/11/15/934561115.db2.gz OCUPKCYBWJEVAU-UHFFFAOYSA-N 1 0 357.410 3.616 20 5 FHBDRO Cc1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1C[NH+](C)C ZINC000458293200 934587772 /nfs/dbraw/zinc/58/77/72/934587772.db2.gz UXHSVLXULCGPSZ-UHFFFAOYSA-N 1 0 355.438 3.881 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000181546291 934737890 /nfs/dbraw/zinc/73/78/90/934737890.db2.gz LQLJWKWKJJXCKF-HXUWFJFHSA-N 1 0 367.449 3.843 20 5 FHBDRO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000277193448 934794786 /nfs/dbraw/zinc/79/47/86/934794786.db2.gz VBIWVDKKFGMSHB-LLVKDONJSA-N 1 0 368.842 3.503 20 5 FHBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(OC)cc1 ZINC000119444978 934809252 /nfs/dbraw/zinc/80/92/52/934809252.db2.gz HAZAGWBYGQFUIG-RHSMWYFYSA-N 1 0 371.437 3.980 20 5 FHBDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000119455023 934815352 /nfs/dbraw/zinc/81/53/52/934815352.db2.gz OKDITBLLZCSIKI-AWEZNQCLSA-N 1 0 371.466 3.916 20 5 FHBDRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000084293514 934817667 /nfs/dbraw/zinc/81/76/67/934817667.db2.gz LNURCEKLQOALOJ-UHFFFAOYSA-N 1 0 362.455 3.560 20 5 FHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C[S@@](C)=O)cc1 ZINC000513045971 934955101 /nfs/dbraw/zinc/95/51/01/934955101.db2.gz IQJBIELYLZQGAV-PBWBSBDWSA-N 1 0 358.463 3.666 20 5 FHBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000071906180 934976770 /nfs/dbraw/zinc/97/67/70/934976770.db2.gz XPZKZNPPTDKJGZ-SFHVURJKSA-N 1 0 370.405 3.582 20 5 FHBDRO CC(C)c1noc(CCC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000178513017 934983211 /nfs/dbraw/zinc/98/32/11/934983211.db2.gz VZGOSIUTIACTBD-MRXNPFEDSA-N 1 0 358.442 3.645 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(Br)c(F)c2)cc1 ZINC000127445613 935095462 /nfs/dbraw/zinc/09/54/62/935095462.db2.gz XGKFQUCRLPUDQA-UHFFFAOYSA-N 1 0 353.191 3.829 20 5 FHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(CO)C[C@H]1c1ccccc1 ZINC000582032593 935150609 /nfs/dbraw/zinc/15/06/09/935150609.db2.gz PUPWNUSMYMUILY-IMRNQXLRSA-N 1 0 352.434 3.754 20 5 FHBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1OCc1ccccc1 ZINC000539334077 935176807 /nfs/dbraw/zinc/17/68/07/935176807.db2.gz MOOIJMQOFPAYGJ-MRXNPFEDSA-N 1 0 366.421 3.721 20 5 FHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000511061065 935178618 /nfs/dbraw/zinc/17/86/18/935178618.db2.gz AGSMKTSPEZMYPI-IBGZPJMESA-N 1 0 355.438 3.716 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000551274305 935243610 /nfs/dbraw/zinc/24/36/10/935243610.db2.gz NTKIVRKGVIDHIG-RHSMWYFYSA-N 1 0 350.459 3.833 20 5 FHBDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)N(c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000540187223 935369298 /nfs/dbraw/zinc/36/92/98/935369298.db2.gz HSVSRMZKCHIZKO-ZOCIIQOWSA-N 1 0 353.422 3.830 20 5 FHBDRO C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381711594 935544587 /nfs/dbraw/zinc/54/45/87/935544587.db2.gz JIBHNNDYKMFFCG-QAPCUYQASA-N 1 0 357.429 3.734 20 5 FHBDRO CN(CCc1ccccc1[N+](=O)[O-])Cc1ccn(-c2ccccc2F)n1 ZINC000511120981 935674153 /nfs/dbraw/zinc/67/41/53/935674153.db2.gz JERDHFGIIGCROC-UHFFFAOYSA-N 1 0 354.385 3.594 20 5 FHBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2C1 ZINC000158337524 935737041 /nfs/dbraw/zinc/73/70/41/935737041.db2.gz FCYXGSRPGMIKOE-UHFFFAOYSA-N 1 0 353.422 3.748 20 5 FHBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000582545432 935812237 /nfs/dbraw/zinc/81/22/37/935812237.db2.gz HSPUBDAWBWPZII-CQSZACIVSA-N 1 0 371.462 3.570 20 5 FHBDRO CC(C)c1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000187754364 935845638 /nfs/dbraw/zinc/84/56/38/935845638.db2.gz DYWBUZXJGDPFPE-KRWDZBQOSA-N 1 0 359.470 3.809 20 5 FHBDRO CC[NH+](CC)[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccsc1 ZINC000611701217 935940547 /nfs/dbraw/zinc/94/05/47/935940547.db2.gz OTRCOLIUNVLJLX-KRWDZBQOSA-N 1 0 371.466 3.516 20 5 FHBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000480022102 935941841 /nfs/dbraw/zinc/94/18/41/935941841.db2.gz VAYONBMLFUPFKH-UHFFFAOYSA-N 1 0 366.437 3.900 20 5 FHBDRO COc1ccc(OCC[N@@H+]2CC[C@H](c3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC001167599144 935943516 /nfs/dbraw/zinc/94/35/16/935943516.db2.gz PMGROUILCMNQGY-QAPCUYQASA-N 1 0 356.422 3.860 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611707493 935948986 /nfs/dbraw/zinc/94/89/86/935948986.db2.gz NOZJBGQAKMMFRM-CVEARBPZSA-N 1 0 369.469 3.629 20 5 FHBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000480078836 935959440 /nfs/dbraw/zinc/95/94/40/935959440.db2.gz BEUMPFUQLRYTOQ-MAUKXSAKSA-N 1 0 371.485 3.832 20 5 FHBDRO CCOc1ccc([C@H](C)Nc2cnn(-c3cc[nH+]cc3)c2)cc1[N+](=O)[O-] ZINC000611480856 935972083 /nfs/dbraw/zinc/97/20/83/935972083.db2.gz HWEHLNUEOARLDY-ZDUSSCGKSA-N 1 0 353.382 3.747 20 5 FHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000075638991 936014023 /nfs/dbraw/zinc/01/40/23/936014023.db2.gz VLOOZWPLWMVFFX-CVEARBPZSA-N 1 0 359.470 3.626 20 5 FHBDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000611717355 936032323 /nfs/dbraw/zinc/03/23/23/936032323.db2.gz XRSWEMGWGNLASN-NRFANRHFSA-N 1 0 364.449 3.982 20 5 FHBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000178671152 936154560 /nfs/dbraw/zinc/15/45/60/936154560.db2.gz SOPZZHCAVBOWBR-KBXCAEBGSA-N 1 0 353.422 3.613 20 5 FHBDRO Cc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178685353 936201153 /nfs/dbraw/zinc/20/11/53/936201153.db2.gz FGRIQOLGHVBVGC-HZPDHXFCSA-N 1 0 355.438 3.567 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000178691597 936208757 /nfs/dbraw/zinc/20/87/57/936208757.db2.gz CFHALJNWSZTMMQ-RYUDHWBXSA-N 1 0 363.364 3.859 20 5 FHBDRO COc1ccc(C[NH+]2CCC(COc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000065612494 936246677 /nfs/dbraw/zinc/24/66/77/936246677.db2.gz NGVFHBLMDUZIDF-UHFFFAOYSA-N 1 0 356.422 3.894 20 5 FHBDRO CN1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000582933401 936305369 /nfs/dbraw/zinc/30/53/69/936305369.db2.gz FMALSSIAVJMMMO-MSOLQXFVSA-N 1 0 363.820 3.922 20 5 FHBDRO Cc1c(C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)cccc1[N+](=O)[O-] ZINC000536069091 938302533 /nfs/dbraw/zinc/30/25/33/938302533.db2.gz SSVVTCOKMSPCJF-QGZVFWFLSA-N 1 0 350.422 3.918 20 5 FHBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000472308467 938491007 /nfs/dbraw/zinc/49/10/07/938491007.db2.gz AABVJPZXPLEQOH-NUJGCVRESA-N 1 0 367.449 3.875 20 5 FHBDRO CCOCCOCc1cccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000584004823 938536093 /nfs/dbraw/zinc/53/60/93/938536093.db2.gz WKVPAPFAXCNLMX-HXUWFJFHSA-N 1 0 370.449 3.925 20 5 FHBDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000584140260 938612974 /nfs/dbraw/zinc/61/29/74/938612974.db2.gz AKNFUFMMORQWIW-UHFFFAOYSA-N 1 0 366.373 3.931 20 5 FHBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000278712992 938678567 /nfs/dbraw/zinc/67/85/67/938678567.db2.gz QXZPEBLBGGTLSS-OAHLLOKOSA-N 1 0 363.461 3.696 20 5 FHBDRO CCC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000544060536 938912773 /nfs/dbraw/zinc/91/27/73/938912773.db2.gz KPPHOCYJKIUXFQ-MJGOQNOKSA-N 1 0 370.449 3.734 20 5 FHBDRO Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000140212613 938945397 /nfs/dbraw/zinc/94/53/97/938945397.db2.gz NUMVBCYTXHYBKD-HNNXBMFYSA-N 1 0 373.478 3.607 20 5 FHBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000431567493 938976084 /nfs/dbraw/zinc/97/60/84/938976084.db2.gz VMNCYWUCSWLXFF-RDTXWAMCSA-N 1 0 372.469 3.707 20 5 FHBDRO CC[N@H+](Cc1ccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1)C1CC1 ZINC000511277222 938979948 /nfs/dbraw/zinc/97/99/48/938979948.db2.gz LPVBYOMKXUZWFD-UHFFFAOYSA-N 1 0 367.449 3.851 20 5 FHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000544067345 938983924 /nfs/dbraw/zinc/98/39/24/938983924.db2.gz TYAGXQVLFCDSFB-KRWDZBQOSA-N 1 0 374.412 3.533 20 5 FHBDRO C[C@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1cccc(F)c1 ZINC000472336822 938994649 /nfs/dbraw/zinc/99/46/49/938994649.db2.gz OCBJDELNGCUIPC-ORAYPTAESA-N 1 0 357.385 3.756 20 5 FHBDRO O=C(CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccccc1F ZINC000179240010 938996430 /nfs/dbraw/zinc/99/64/30/938996430.db2.gz ZFEQPHVEANZHQK-UHFFFAOYSA-N 1 0 357.385 3.727 20 5 FHBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609441817 939015788 /nfs/dbraw/zinc/01/57/88/939015788.db2.gz GLYFRGHQUTXOGJ-UHFFFAOYSA-N 1 0 359.401 3.504 20 5 FHBDRO CCC[N@@H+]1CC[C@H](CNCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000102424108 939018534 /nfs/dbraw/zinc/01/85/34/939018534.db2.gz MSFZDCFLCSNSCH-OAHLLOKOSA-N 1 0 373.453 3.685 20 5 FHBDRO COc1cc(C)c(C[C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000548858645 939019465 /nfs/dbraw/zinc/01/94/65/939019465.db2.gz VVNJGGXXASVMOD-OAHLLOKOSA-N 1 0 374.437 3.520 20 5 FHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000612101618 939050743 /nfs/dbraw/zinc/05/07/43/939050743.db2.gz BVSGEGREFYXELJ-NZSAHSFTSA-N 1 0 352.438 3.702 20 5 FHBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000179509823 939222521 /nfs/dbraw/zinc/22/25/21/939222521.db2.gz FBMKZGRWUFKJMF-GFCCVEGCSA-N 1 0 361.833 3.623 20 5 FHBDRO O=C(CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccccc1F ZINC000179518601 939876371 /nfs/dbraw/zinc/87/63/71/939876371.db2.gz JLGIZKGJYOFFPH-UHFFFAOYSA-N 1 0 357.385 3.727 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](C)c1ccccc1 ZINC000411140565 940002442 /nfs/dbraw/zinc/00/24/42/940002442.db2.gz XTSIGHCVKZJDMC-CQSZACIVSA-N 1 0 357.410 3.625 20 5 FHBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000065936396 940079217 /nfs/dbraw/zinc/07/92/17/940079217.db2.gz SRHNWWKSFVUIPI-UHFFFAOYSA-N 1 0 367.858 3.514 20 5 FHBDRO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411809091 940123849 /nfs/dbraw/zinc/12/38/49/940123849.db2.gz SYTJKRCVKGCSDO-NEPJUHHUSA-N 1 0 359.348 3.586 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000365479511 940172242 /nfs/dbraw/zinc/17/22/42/940172242.db2.gz DQKHCFHJCJFVCI-SUMWQHHRSA-N 1 0 374.466 3.779 20 5 FHBDRO C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376033060 940219365 /nfs/dbraw/zinc/21/93/65/940219365.db2.gz BJNBJLYLCISJPL-GFCCVEGCSA-N 1 0 366.368 3.791 20 5 FHBDRO CC(C)[NH+](CCCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000431668200 940226563 /nfs/dbraw/zinc/22/65/63/940226563.db2.gz VVMCRIZELGEQKM-UHFFFAOYSA-N 1 0 364.490 3.638 20 5 FHBDRO CC(C)OCc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000580814099 940486217 /nfs/dbraw/zinc/48/62/17/940486217.db2.gz UICQXHPTFNNLGU-MOPGFXCFSA-N 1 0 372.469 3.990 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000124752416 945325596 /nfs/dbraw/zinc/32/55/96/945325596.db2.gz SFYJPZBSZNSYHR-QWHCGFSZSA-N 1 0 359.348 3.552 20 5 FHBDRO Cc1ccc([C@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)[NH+]2CCCC2)o1 ZINC000506793895 945332282 /nfs/dbraw/zinc/33/22/82/945332282.db2.gz CJYMLPZQWJBHJU-SFHVURJKSA-N 1 0 366.421 3.715 20 5 FHBDRO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCC[C@@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000414204252 940762074 /nfs/dbraw/zinc/76/20/74/940762074.db2.gz WCEBRCDYYYRQJF-BHIYHBOVSA-N 1 0 354.454 3.834 20 5 FHBDRO C[C@]1(O)CC[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000180183919 940782100 /nfs/dbraw/zinc/78/21/00/940782100.db2.gz IGYLRKZPEZOIPI-SFHVURJKSA-N 1 0 362.813 3.997 20 5 FHBDRO C[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000414261518 940849291 /nfs/dbraw/zinc/84/92/91/940849291.db2.gz IECDJKPIXHWRTO-FZMZJTMJSA-N 1 0 356.348 3.596 20 5 FHBDRO CC[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000414266176 940863841 /nfs/dbraw/zinc/86/38/41/940863841.db2.gz RIVTUPCXNMLZPP-SWLSCSKDSA-N 1 0 370.375 3.986 20 5 FHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414270009 940871050 /nfs/dbraw/zinc/87/10/50/940871050.db2.gz YIEIIZXPXMJISX-LLVKDONJSA-N 1 0 354.332 3.515 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000414287861 940896816 /nfs/dbraw/zinc/89/68/16/940896816.db2.gz KSXZYGSQXYWELC-QRFRQXIXSA-N 1 0 372.440 3.811 20 5 FHBDRO NC(=O)c1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000180280951 940906691 /nfs/dbraw/zinc/90/66/91/940906691.db2.gz CNXOQRBTFOBIBB-LJQANCHMSA-N 1 0 371.412 3.854 20 5 FHBDRO CCC[C@H]([NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000310826841 940907003 /nfs/dbraw/zinc/90/70/03/940907003.db2.gz IFUHWGNQOMQPNX-CJNGLKHVSA-N 1 0 351.447 3.939 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000414296988 940913230 /nfs/dbraw/zinc/91/32/30/940913230.db2.gz RSLUMDTUMIUVAR-CJNGLKHVSA-N 1 0 362.401 3.559 20 5 FHBDRO CC[C@@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000616089244 940957931 /nfs/dbraw/zinc/95/79/31/940957931.db2.gz LBCWGHCPMSYMOY-MRXNPFEDSA-N 1 0 364.442 3.595 20 5 FHBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC)cc1 ZINC000180420840 941009693 /nfs/dbraw/zinc/00/96/93/941009693.db2.gz PHCXZGTWEKFBDH-FZKQIMNGSA-N 1 0 357.410 3.671 20 5 FHBDRO CC(C)[C@H](NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000180444391 941017329 /nfs/dbraw/zinc/01/73/29/941017329.db2.gz ZBPOIUSEFHROEZ-VLIAUNLRSA-N 1 0 373.428 3.898 20 5 FHBDRO COC(=O)COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000467185632 941023287 /nfs/dbraw/zinc/02/32/87/941023287.db2.gz GOKYQHFJUFIUPV-KBPBESRZSA-N 1 0 358.394 3.558 20 5 FHBDRO CC[C@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000180756732 941072394 /nfs/dbraw/zinc/07/23/94/941072394.db2.gz UDKDBSBYEYGFHQ-FQEVSTJZSA-N 1 0 367.449 3.958 20 5 FHBDRO CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)C1=O ZINC000180907569 941090042 /nfs/dbraw/zinc/09/00/42/941090042.db2.gz NMOAIRUXHABKGD-DZGCQCFKSA-N 1 0 373.478 3.983 20 5 FHBDRO Cc1cc(C[C@@H](C)[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000180963911 941097840 /nfs/dbraw/zinc/09/78/40/941097840.db2.gz BVZWTHIRVUKKME-JLTOFOAXSA-N 1 0 350.422 3.937 20 5 FHBDRO CC[C@@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1cccc([N+](=O)[O-])c1 ZINC000181005406 941102737 /nfs/dbraw/zinc/10/27/37/941102737.db2.gz SSURAFODPRXFNK-MRXNPFEDSA-N 1 0 356.401 3.904 20 5 FHBDRO C[C@@H]([NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000311192855 941133060 /nfs/dbraw/zinc/13/30/60/941133060.db2.gz FCICJWLVILTQFW-UONOGXRCSA-N 1 0 351.447 3.939 20 5 FHBDRO CC(C)c1ccc(C[NH2+]CCN2CCc3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000189043978 941144290 /nfs/dbraw/zinc/14/42/90/941144290.db2.gz KVYABWYWAWQRJM-UHFFFAOYSA-N 1 0 367.449 3.506 20 5 FHBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000181388795 941144650 /nfs/dbraw/zinc/14/46/50/941144650.db2.gz GSBIYDBGQMBLFU-BZNIZROVSA-N 1 0 365.227 3.742 20 5 FHBDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000311251170 941151588 /nfs/dbraw/zinc/15/15/88/941151588.db2.gz JHNCHAYJEGTPDL-INIZCTEOSA-N 1 0 373.840 3.643 20 5 FHBDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000311252954 941151783 /nfs/dbraw/zinc/15/17/83/941151783.db2.gz PBBBNAOQUODKTE-GDBMZVCRSA-N 1 0 363.458 3.768 20 5 FHBDRO CCS[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000189518570 941159474 /nfs/dbraw/zinc/15/94/74/941159474.db2.gz JSYIPAAEDQYUIN-WBVHZDCISA-N 1 0 365.499 3.886 20 5 FHBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(CSC(F)F)o3)CC2)n1 ZINC000376651004 941372294 /nfs/dbraw/zinc/37/22/94/941372294.db2.gz IYCSMNJVISXFSI-UHFFFAOYSA-N 1 0 372.397 3.677 20 5 FHBDRO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414666313 941431266 /nfs/dbraw/zinc/43/12/66/941431266.db2.gz WOYWNSAOYQDNSN-RDJZCZTQSA-N 1 0 354.454 3.532 20 5 FHBDRO C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CCC[NH2+]C1 ZINC000414858882 941488072 /nfs/dbraw/zinc/48/80/72/941488072.db2.gz STMNGVRROZDEOL-STQMWFEESA-N 1 0 363.845 3.986 20 5 FHBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc(CN3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000163720469 941655596 /nfs/dbraw/zinc/65/55/96/941655596.db2.gz OBYPQNCRXZXHRG-QGZVFWFLSA-N 1 0 369.465 3.586 20 5 FHBDRO C[C@@H]1C[C@@H](NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC[NH2+]1 ZINC000415199719 941669578 /nfs/dbraw/zinc/66/95/78/941669578.db2.gz WHJOTRRGXDMQHR-HIFRSBDPSA-N 1 0 370.409 3.649 20 5 FHBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1(C)C ZINC000412072745 941670904 /nfs/dbraw/zinc/67/09/04/941670904.db2.gz LNAJTCAWKIKBID-JKSUJKDBSA-N 1 0 364.442 3.533 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000181552059 941677586 /nfs/dbraw/zinc/67/75/86/941677586.db2.gz JMGDBCXKCSJEME-FQEVSTJZSA-N 1 0 367.449 3.843 20 5 FHBDRO CC(C)(C)OC(=O)N1CCC(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000695258071 941782962 /nfs/dbraw/zinc/78/29/62/941782962.db2.gz MSALSORZEPDBCZ-UHFFFAOYSA-N 1 0 363.458 3.722 20 5 FHBDRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000190065116 941806597 /nfs/dbraw/zinc/80/65/97/941806597.db2.gz QADVEMFPVFDPHU-YSVLISHTSA-N 1 0 365.499 3.884 20 5 FHBDRO CC(C)c1nnc([C@H]2CC23CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC3)o1 ZINC000377614330 941840260 /nfs/dbraw/zinc/84/02/60/941840260.db2.gz HTSYOKCPQDVNHA-QGZVFWFLSA-N 1 0 370.453 3.913 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000513378227 941875293 /nfs/dbraw/zinc/87/52/93/941875293.db2.gz ZYMZIBPTWBMSTC-QGZVFWFLSA-N 1 0 372.421 3.655 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000415583403 941926447 /nfs/dbraw/zinc/92/64/47/941926447.db2.gz QUGZHCVJBWWLHU-MRXNPFEDSA-N 1 0 356.426 3.813 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000182629915 941940347 /nfs/dbraw/zinc/94/03/47/941940347.db2.gz UJJGKKLFMSOVGF-MRXNPFEDSA-N 1 0 359.470 3.689 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000182620319 941947873 /nfs/dbraw/zinc/94/78/73/941947873.db2.gz PPZAUXGEEPQXGL-INIZCTEOSA-N 1 0 367.449 3.859 20 5 FHBDRO COc1ccccc1CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000513479864 941957133 /nfs/dbraw/zinc/95/71/33/941957133.db2.gz SJIYIUBGCLTCBT-UHFFFAOYSA-N 1 0 366.364 3.879 20 5 FHBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000182646358 941958197 /nfs/dbraw/zinc/95/81/97/941958197.db2.gz YGAVVRJCTDEORN-ZDUSSCGKSA-N 1 0 353.378 3.655 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000415656897 941976464 /nfs/dbraw/zinc/97/64/64/941976464.db2.gz LWJNLVQULBSHEG-INIZCTEOSA-N 1 0 372.425 3.595 20 5 FHBDRO CC(C)(C)c1ccc(NC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000415703607 942007006 /nfs/dbraw/zinc/00/70/06/942007006.db2.gz QWSXMCMQIFCSPV-LSDHHAIUSA-N 1 0 374.485 3.746 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000415733114 942027806 /nfs/dbraw/zinc/02/78/06/942027806.db2.gz ARPQNCWHKHIKEI-CRAIPNDOSA-N 1 0 360.458 3.543 20 5 FHBDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)cc1[N+](=O)[O-] ZINC000513660146 942060549 /nfs/dbraw/zinc/06/05/49/942060549.db2.gz GIHDRDIPCWKSTQ-ZDUSSCGKSA-N 1 0 374.437 3.650 20 5 FHBDRO C[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000513678023 942070218 /nfs/dbraw/zinc/07/02/18/942070218.db2.gz GXBOVHFKGBZIAB-LIRRHRJNSA-N 1 0 368.412 3.950 20 5 FHBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc2[nH]ccc21 ZINC000501902993 942107997 /nfs/dbraw/zinc/10/79/97/942107997.db2.gz ZRMFUBSXDRKORZ-UHFFFAOYSA-N 1 0 352.394 3.537 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)o1 ZINC000513725356 942133336 /nfs/dbraw/zinc/13/33/36/942133336.db2.gz ONTXBOKGSMXRIW-INIZCTEOSA-N 1 0 355.438 3.915 20 5 FHBDRO Cc1cc(NCc2nnc(C(C)(C)C)s2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000541189065 942217819 /nfs/dbraw/zinc/21/78/19/942217819.db2.gz JEVIZCFOUJHHEL-UHFFFAOYSA-N 1 0 357.439 3.634 20 5 FHBDRO CCc1cccc2c(CC[NH2+]Cc3cc(OC)c(O)cc3[N+](=O)[O-])c[nH]c21 ZINC000237007018 942235587 /nfs/dbraw/zinc/23/55/87/942235587.db2.gz ZOTNSESPDFWASK-UHFFFAOYSA-N 1 0 369.421 3.685 20 5 FHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000137173528 942241816 /nfs/dbraw/zinc/24/18/16/942241816.db2.gz ANAUYCBKVQGBJB-AWEZNQCLSA-N 1 0 365.499 3.559 20 5 FHBDRO CCS[C@@H]1CCCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000480969996 942244771 /nfs/dbraw/zinc/24/47/71/942244771.db2.gz XFFCHKJSFSOYLA-OAHLLOKOSA-N 1 0 362.455 3.752 20 5 FHBDRO CC(C)[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccsc1 ZINC000421005475 942299083 /nfs/dbraw/zinc/29/90/83/942299083.db2.gz JIQLGEYOGRMLHL-GOEBONIOSA-N 1 0 364.467 3.868 20 5 FHBDRO C[C@@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000413153664 942352170 /nfs/dbraw/zinc/35/21/70/942352170.db2.gz HUWJUKVEAKEMKX-GDBMZVCRSA-N 1 0 358.417 3.618 20 5 FHBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000413167500 942391540 /nfs/dbraw/zinc/39/15/40/942391540.db2.gz HWWGGTAIQIURNS-UHFFFAOYSA-N 1 0 358.364 3.828 20 5 FHBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000502400805 942425901 /nfs/dbraw/zinc/42/59/01/942425901.db2.gz GPIAAVWCMJCZOE-UHFFFAOYSA-N 1 0 369.465 3.887 20 5 FHBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000502471434 942455570 /nfs/dbraw/zinc/45/55/70/942455570.db2.gz ZIFRGVCPQIYWQB-AWEZNQCLSA-N 1 0 353.850 3.633 20 5 FHBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000413199116 942458147 /nfs/dbraw/zinc/45/81/47/942458147.db2.gz IRTKPKAKPFSSCB-KXBFYZLASA-N 1 0 352.438 3.596 20 5 FHBDRO Cc1c(NC(=O)[C@H](C)N2CCC(c3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000378262231 942478022 /nfs/dbraw/zinc/47/80/22/942478022.db2.gz WCJYWQWXSADTBC-HNNXBMFYSA-N 1 0 368.437 3.505 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2ccccn2)CC1 ZINC000378258397 942480795 /nfs/dbraw/zinc/48/07/95/942480795.db2.gz HPKCOTIWFXQVCG-UHFFFAOYSA-N 1 0 368.437 3.506 20 5 FHBDRO COc1ccc(C[C@](C)([NH3+])CNc2nccc3ccc([N+](=O)[O-])cc32)cc1 ZINC000413201946 942484959 /nfs/dbraw/zinc/48/49/59/942484959.db2.gz KZHNSDSVRFPKSV-FQEVSTJZSA-N 1 0 366.421 3.524 20 5 FHBDRO Cc1ccc(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)cc1[N+](=O)[O-] ZINC000469148530 942489238 /nfs/dbraw/zinc/48/92/38/942489238.db2.gz SPPBAPIDRHWWKU-INIZCTEOSA-N 1 0 355.394 3.541 20 5 FHBDRO CC[N@H+](CCC1CCN(c2ncc([N+](=O)[O-])cc2F)CC1)CC(C)C ZINC000413220903 942499190 /nfs/dbraw/zinc/49/91/90/942499190.db2.gz HQIXPCTXIUHZMH-UHFFFAOYSA-N 1 0 352.454 3.713 20 5 FHBDRO Cc1ccnc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1[N+](=O)[O-] ZINC000366551030 942570913 /nfs/dbraw/zinc/57/09/13/942570913.db2.gz ZMOFXDAPAXNAGI-UHFFFAOYSA-N 1 0 358.364 3.515 20 5 FHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000137109119 942618165 /nfs/dbraw/zinc/61/81/65/942618165.db2.gz OPHGYNDXKACWMM-UHFFFAOYSA-N 1 0 365.499 3.700 20 5 FHBDRO CSc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2F)[NH+](C)C)cc1 ZINC000413330520 942667540 /nfs/dbraw/zinc/66/75/40/942667540.db2.gz OYXAJPZIUVLUEE-HNNXBMFYSA-N 1 0 350.419 3.566 20 5 FHBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000514197735 942808067 /nfs/dbraw/zinc/80/80/67/942808067.db2.gz SDDVBLYLWGKVKH-CYBMUJFWSA-N 1 0 357.376 3.782 20 5 FHBDRO CCC1(CNc2c([N+](=O)[O-])c(C)nn2C)CC[NH+](Cc2ccccc2)CC1 ZINC000514229503 942841414 /nfs/dbraw/zinc/84/14/14/942841414.db2.gz RHUXWCOYUDDNLO-UHFFFAOYSA-N 1 0 371.485 3.741 20 5 FHBDRO CCCN1C[C@H](C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000421880199 942862374 /nfs/dbraw/zinc/86/23/74/942862374.db2.gz OEEOSDDSWZAXJO-KKSFZXQISA-N 1 0 367.449 3.532 20 5 FHBDRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000472996669 942877815 /nfs/dbraw/zinc/87/78/15/942877815.db2.gz FHWVNIOPDWQJFO-UHFFFAOYSA-N 1 0 353.488 3.511 20 5 FHBDRO CC(C)(C)OC(=O)NCc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000312202855 942909292 /nfs/dbraw/zinc/90/92/92/942909292.db2.gz HVRJDXGRYLJYHS-UHFFFAOYSA-N 1 0 371.437 3.909 20 5 FHBDRO Cc1ccc([C@@]2(C)CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000434750126 942939565 /nfs/dbraw/zinc/93/95/65/942939565.db2.gz YBVJIPOHWOBLJH-FQEVSTJZSA-N 1 0 353.422 3.505 20 5 FHBDRO C[NH+](C)[C@H]1CC[C@H](Oc2cc([N+](=O)[O-])c(F)cc2Br)CC1 ZINC001225756629 942958852 /nfs/dbraw/zinc/95/88/52/942958852.db2.gz LYIPYSUCIZDPMY-MGCOHNPYSA-N 1 0 361.211 3.748 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCCCN3C3CC3)o2)cc1 ZINC000434782927 942961994 /nfs/dbraw/zinc/96/19/94/942961994.db2.gz HVJUHAVJSCCSJP-GOSISDBHSA-N 1 0 355.438 3.961 20 5 FHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCOCC(F)(F)C(F)F ZINC000434786954 942965605 /nfs/dbraw/zinc/96/56/05/942965605.db2.gz SNSZTDHLYFUMOW-XFFZJAGNSA-N 1 0 350.312 3.505 20 5 FHBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000378619399 942967772 /nfs/dbraw/zinc/96/77/72/942967772.db2.gz VFIFVDDKHPWYMN-CVEARBPZSA-N 1 0 371.462 3.535 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000120253967 943004304 /nfs/dbraw/zinc/00/43/04/943004304.db2.gz HUSKEDLSGNALLM-MRXNPFEDSA-N 1 0 360.458 3.551 20 5 FHBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)[NH+](C)C ZINC000412392424 943057053 /nfs/dbraw/zinc/05/70/53/943057053.db2.gz CBRHTJXEUIKHFX-ZDUSSCGKSA-N 1 0 365.499 3.557 20 5 FHBDRO C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000505602930 943150994 /nfs/dbraw/zinc/15/09/94/943150994.db2.gz BERDRWWVQRXQCP-SJKOYZFVSA-N 1 0 361.829 3.669 20 5 FHBDRO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1C[NH+](C)C ZINC000412422887 943153839 /nfs/dbraw/zinc/15/38/39/943153839.db2.gz WZCGRWSOAFAIRI-RBUKOAKNSA-N 1 0 353.422 3.707 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](CC(C)C)C1 ZINC000469266235 943169421 /nfs/dbraw/zinc/16/94/21/943169421.db2.gz LFJKOLSCYIXLRC-OAHLLOKOSA-N 1 0 363.458 3.690 20 5 FHBDRO Cc1cccc2c1OC[C@@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C2 ZINC000514696036 943228138 /nfs/dbraw/zinc/22/81/38/943228138.db2.gz IBSBDZHDJAGDQL-RBUKOAKNSA-N 1 0 352.434 3.818 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C/CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435394696 943380210 /nfs/dbraw/zinc/38/02/10/943380210.db2.gz OTYDAOPLHBODKZ-CPSHHHPTSA-N 1 0 366.465 3.647 20 5 FHBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000504030850 943475179 /nfs/dbraw/zinc/47/51/79/943475179.db2.gz DWYDPQSNMVCOMC-YVZNUBBCSA-N 1 0 351.406 3.844 20 5 FHBDRO Cc1cccc(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000162376668 943491916 /nfs/dbraw/zinc/49/19/16/943491916.db2.gz FYEGMDDGEBDUIC-NRFANRHFSA-N 1 0 367.449 3.688 20 5 FHBDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417312574 943508559 /nfs/dbraw/zinc/50/85/59/943508559.db2.gz SOGXDTKVTFBFGE-GOSISDBHSA-N 1 0 371.437 3.673 20 5 FHBDRO CC(C)[NH+](CCN(C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000504142823 943513189 /nfs/dbraw/zinc/51/31/89/943513189.db2.gz LEKASRUIWZNHTR-OAHLLOKOSA-N 1 0 367.515 3.653 20 5 FHBDRO O=C1CCN1c1cccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417329875 943520223 /nfs/dbraw/zinc/52/02/23/943520223.db2.gz KBBRECFESWNKEW-HXUWFJFHSA-N 1 0 365.433 3.889 20 5 FHBDRO O=C(NCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccccc1F ZINC000417345352 943532552 /nfs/dbraw/zinc/53/25/52/943532552.db2.gz UCQOBYCKSSOMBK-IBGZPJMESA-N 1 0 371.412 3.521 20 5 FHBDRO Cc1c(CN(Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000435690175 943559510 /nfs/dbraw/zinc/55/95/10/943559510.db2.gz BSPYHFITFMYDHG-QGZVFWFLSA-N 1 0 372.494 3.504 20 5 FHBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@@H]2CCN(CC(F)F)C2)c2ccccc2)c1 ZINC000417389990 943567338 /nfs/dbraw/zinc/56/73/38/943567338.db2.gz QEDBRSSUOVWECR-VQIMIIECSA-N 1 0 361.392 3.613 20 5 FHBDRO CC(C)c1ccc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000435738158 943589309 /nfs/dbraw/zinc/58/93/09/943589309.db2.gz PEYSVCHJGGJRRI-MSOLQXFVSA-N 1 0 373.497 3.989 20 5 FHBDRO C[C@H](CCC[NH3+])NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000423677935 943596285 /nfs/dbraw/zinc/59/62/85/943596285.db2.gz IDNRFESXCVLERH-CYBMUJFWSA-N 1 0 359.451 3.603 20 5 FHBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000515254601 943605372 /nfs/dbraw/zinc/60/53/72/943605372.db2.gz URBGPUMOLIDDLP-INIZCTEOSA-N 1 0 360.376 3.998 20 5 FHBDRO COc1cc(C[NH2+][C@@H]2CC23CC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000424186978 943776960 /nfs/dbraw/zinc/77/69/60/943776960.db2.gz UEBWKPNKTCNAML-LJQANCHMSA-N 1 0 354.406 3.825 20 5 FHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000516937474 943845699 /nfs/dbraw/zinc/84/56/99/943845699.db2.gz HENVPXPHGPQSMT-AWEZNQCLSA-N 1 0 367.327 3.708 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000515403157 943851527 /nfs/dbraw/zinc/85/15/27/943851527.db2.gz MTDHXDGHDNYQEM-LJQANCHMSA-N 1 0 368.437 3.732 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCCN(CC(F)F)CC2)o1 ZINC000516962919 943867585 /nfs/dbraw/zinc/86/75/85/943867585.db2.gz LBFQZEANNCBIPR-UHFFFAOYSA-N 1 0 365.380 3.628 20 5 FHBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000425422343 943880064 /nfs/dbraw/zinc/88/00/64/943880064.db2.gz NASWEWKOUNNZGK-SWLSCSKDSA-N 1 0 370.291 3.662 20 5 FHBDRO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000425423372 943884972 /nfs/dbraw/zinc/88/49/72/943884972.db2.gz QQCQCUVJTVXDCQ-CYBMUJFWSA-N 1 0 369.259 3.606 20 5 FHBDRO COC[C@@H]1CCCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425430826 943890591 /nfs/dbraw/zinc/89/05/91/943890591.db2.gz GPCWNKJFJMJLPS-GFCCVEGCSA-N 1 0 357.248 3.606 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]CCN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000504895637 943893678 /nfs/dbraw/zinc/89/36/78/943893678.db2.gz VRJKROAFNXOXAT-INIZCTEOSA-N 1 0 369.465 3.702 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000504917951 943897758 /nfs/dbraw/zinc/89/77/58/943897758.db2.gz DOIVPNVGHREDHA-MRXNPFEDSA-N 1 0 373.478 3.615 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000504905820 943903254 /nfs/dbraw/zinc/90/32/54/943903254.db2.gz OFPVANYEWIMMOD-DNVCBOLYSA-N 1 0 357.454 3.947 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)Cn1ccnc1C ZINC000504912462 943908834 /nfs/dbraw/zinc/90/88/34/943908834.db2.gz WQESZZULQNKEAV-GDBMZVCRSA-N 1 0 362.499 3.896 20 5 FHBDRO Cc1cc(C[NH3+])cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000424433151 943927161 /nfs/dbraw/zinc/92/71/61/943927161.db2.gz IDXULMFWZXMWQM-UHFFFAOYSA-N 1 0 356.426 3.804 20 5 FHBDRO O=[N+]([O-])c1cccc(OCCN2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000515531259 943966289 /nfs/dbraw/zinc/96/62/89/943966289.db2.gz NJZOTAXZZZKNSI-UHFFFAOYSA-N 1 0 361.486 3.562 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000505748606 943971217 /nfs/dbraw/zinc/97/12/17/943971217.db2.gz YNRSPCISVZYVII-UHFFFAOYSA-N 1 0 365.499 3.700 20 5 FHBDRO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000437637343 944004507 /nfs/dbraw/zinc/00/45/07/944004507.db2.gz VHJVWOCNTPETQW-KXBFYZLASA-N 1 0 374.485 3.752 20 5 FHBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(F)(F)F ZINC000893327703 944014599 /nfs/dbraw/zinc/01/45/99/944014599.db2.gz DVRKAYYTDFXPJO-CFVMTHIKSA-N 1 0 374.359 3.595 20 5 FHBDRO C[C@]1(c2ccccc2)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000500072490 944051319 /nfs/dbraw/zinc/05/13/19/944051319.db2.gz DFYOOFDTYFVVSN-FQEVSTJZSA-N 1 0 353.422 3.587 20 5 FHBDRO O=C(CC[N@@H+]1CC[C@@H](c2ccccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500069868 944051644 /nfs/dbraw/zinc/05/16/44/944051644.db2.gz KFAMBVTYNXOMLB-CQSZACIVSA-N 1 0 357.385 3.552 20 5 FHBDRO Cc1c(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000436265779 944141651 /nfs/dbraw/zinc/14/16/51/944141651.db2.gz YLHLEEITJDQILQ-INIZCTEOSA-N 1 0 360.458 3.822 20 5 FHBDRO Cn1cc(C[NH+]2CCC(OC3CCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000418096239 944150076 /nfs/dbraw/zinc/15/00/76/944150076.db2.gz VIQAOKLXSFDOIF-UHFFFAOYSA-N 1 0 370.453 3.529 20 5 FHBDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000500139427 944162175 /nfs/dbraw/zinc/16/21/75/944162175.db2.gz NZEABVHGGTXWIV-SFHVURJKSA-N 1 0 367.449 3.939 20 5 FHBDRO Cc1cc([N+](=O)[O-])cnc1Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000092656239 944175268 /nfs/dbraw/zinc/17/52/68/944175268.db2.gz YEHCWJRMTCGSGX-UHFFFAOYSA-N 1 0 369.469 3.820 20 5 FHBDRO CSc1ccc(CC[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000436294340 944179944 /nfs/dbraw/zinc/17/99/44/944179944.db2.gz FKCWTVJQEKGALW-CQSZACIVSA-N 1 0 373.478 3.866 20 5 FHBDRO COc1ccc(CNC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000312655972 944192206 /nfs/dbraw/zinc/19/22/06/944192206.db2.gz LOPRSFIYXUDLQU-OAQYLSRUSA-N 1 0 369.465 3.605 20 5 FHBDRO Cc1nn(C)c(NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000518298334 944244893 /nfs/dbraw/zinc/24/48/93/944244893.db2.gz FOBAQMMWIDHKIG-HNNXBMFYSA-N 1 0 363.849 3.539 20 5 FHBDRO CC[N@H+](CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])CCC(F)(F)F ZINC000436380085 944250237 /nfs/dbraw/zinc/25/02/37/944250237.db2.gz VWVZUARYWTZRRD-UHFFFAOYSA-N 1 0 374.285 3.695 20 5 FHBDRO CSc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000500219346 944287246 /nfs/dbraw/zinc/28/72/46/944287246.db2.gz OUGXCCZYODMLJZ-ZDUSSCGKSA-N 1 0 359.451 3.996 20 5 FHBDRO CSc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000500257557 944347317 /nfs/dbraw/zinc/34/73/17/944347317.db2.gz DRUDVRASELPPDE-ZDUSSCGKSA-N 1 0 359.451 3.914 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)c3cnn(C)c3C)o2)c([N+](=O)[O-])c1 ZINC000517538219 944368075 /nfs/dbraw/zinc/36/80/75/944368075.db2.gz UDDCTVMYRMCPNT-LBPRGKRZSA-N 1 0 370.409 3.756 20 5 FHBDRO CC(C)c1ccc(C[NH2+]CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000517542963 944372741 /nfs/dbraw/zinc/37/27/41/944372741.db2.gz MMCNFCPYLIMSGD-HZPDHXFCSA-N 1 0 363.502 3.696 20 5 FHBDRO Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c1[N+](=O)[O-] ZINC000517623402 944451106 /nfs/dbraw/zinc/45/11/06/944451106.db2.gz ZMEOBXXMGCSEMD-QGZVFWFLSA-N 1 0 359.470 3.678 20 5 FHBDRO CCC[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000159124494 944464628 /nfs/dbraw/zinc/46/46/28/944464628.db2.gz XSULGLWZCZMWGG-PMACEKPBSA-N 1 0 369.465 3.725 20 5 FHBDRO Cc1cc(NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000473789235 944469087 /nfs/dbraw/zinc/46/90/87/944469087.db2.gz RTDBPIHMKOOCLY-YJBOKZPZSA-N 1 0 368.437 3.860 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]CCc2nnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000426328542 944469913 /nfs/dbraw/zinc/46/99/13/944469913.db2.gz CYQDNOXMRHDBDT-LBPRGKRZSA-N 1 0 364.471 3.862 20 5 FHBDRO CC[N@H+](CCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C(C)C ZINC000110419444 944482753 /nfs/dbraw/zinc/48/27/53/944482753.db2.gz FSWQWDKFUDWPNQ-UHFFFAOYSA-N 1 0 370.453 3.799 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](CC)C1 ZINC000506209273 944527053 /nfs/dbraw/zinc/52/70/53/944527053.db2.gz VGZZXJIVFRIEEP-CQSZACIVSA-N 1 0 365.499 3.559 20 5 FHBDRO COC[C@@]1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)OCCc2ccccc21 ZINC000518623261 944552938 /nfs/dbraw/zinc/55/29/38/944552938.db2.gz BQCKJBVCCLEOFV-IIBYNOLFSA-N 1 0 370.449 3.668 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@H](C)c1ccccc1 ZINC000066854658 944639259 /nfs/dbraw/zinc/63/92/59/944639259.db2.gz MLQCEIFUMUHMEG-HNNXBMFYSA-N 1 0 371.437 3.668 20 5 FHBDRO COc1cccc2c1CC[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000426021588 944647704 /nfs/dbraw/zinc/64/77/04/944647704.db2.gz ZTPYTKCWUXUTOC-INIZCTEOSA-N 1 0 360.841 3.946 20 5 FHBDRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000438493771 944686967 /nfs/dbraw/zinc/68/69/67/944686967.db2.gz PMLYZVTVYIQIIK-AWEZNQCLSA-N 1 0 372.425 3.849 20 5 FHBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000517823998 944688045 /nfs/dbraw/zinc/68/80/45/944688045.db2.gz LNVIKIWSTDDFJU-UHFFFAOYSA-N 1 0 372.469 3.660 20 5 FHBDRO COc1cc(C[NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)c([N+](=O)[O-])cc1O ZINC000509601703 944749224 /nfs/dbraw/zinc/74/92/24/944749224.db2.gz PTYVFLUIARLLDZ-UHFFFAOYSA-N 1 0 355.394 3.697 20 5 FHBDRO O=C(CC[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000584585786 944792416 /nfs/dbraw/zinc/79/24/16/944792416.db2.gz XAWVCZOQZRZPMF-QWHCGFSZSA-N 1 0 373.375 3.882 20 5 FHBDRO C[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@@H+]1CCCC[C@H]1C ZINC000437933603 944810911 /nfs/dbraw/zinc/81/09/11/944810911.db2.gz PPHIJZNIOYNVMB-HZPDHXFCSA-N 1 0 374.485 3.532 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000506296300 944836539 /nfs/dbraw/zinc/83/65/39/944836539.db2.gz XZIMAAKBOISIEN-ZIAGYGMSSA-N 1 0 362.474 3.781 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000438607167 944845728 /nfs/dbraw/zinc/84/57/28/944845728.db2.gz MZASQEXLMDLGPH-UHFFFAOYSA-N 1 0 365.499 3.653 20 5 FHBDRO Cc1c(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000487340945 944907139 /nfs/dbraw/zinc/90/71/39/944907139.db2.gz CJXJFPBNBNRDIU-SJLPKXTDSA-N 1 0 367.449 3.544 20 5 FHBDRO CSCc1cccc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000437094037 945014238 /nfs/dbraw/zinc/01/42/38/945014238.db2.gz HFRHIDOZWDIFIJ-CQSZACIVSA-N 1 0 373.478 3.965 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC000124038100 945060309 /nfs/dbraw/zinc/06/03/09/945060309.db2.gz UDEBOHOCIQSWKA-ZBFHGGJFSA-N 1 0 353.422 3.639 20 5 FHBDRO C[C@H](CO[C@@H]1CCOC1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000151258804 945383895 /nfs/dbraw/zinc/38/38/95/945383895.db2.gz DKTQEKSGXXPULK-ZIAGYGMSSA-N 1 0 362.451 3.607 20 5 FHBDRO [NH3+]CCc1cn(-c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c2ccc(O)cc12 ZINC001167986693 945425212 /nfs/dbraw/zinc/42/52/12/945425212.db2.gz ZWXCLFSLZJOZSH-UHFFFAOYSA-N 1 0 365.311 3.764 20 5 FHBDRO CC[NH+](CC)Cc1ccc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000087006066 945425445 /nfs/dbraw/zinc/42/54/45/945425445.db2.gz ZAIVWTJXBFLISG-UHFFFAOYSA-N 1 0 369.465 3.686 20 5 FHBDRO Cc1cccnc1[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000120878404 945436419 /nfs/dbraw/zinc/43/64/19/945436419.db2.gz YBDSVGPWAQRXCY-CRAIPNDOSA-N 1 0 370.453 3.921 20 5 FHBDRO CC[NH+](CC)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)CC(C)C ZINC000506834986 945462256 /nfs/dbraw/zinc/46/22/56/945462256.db2.gz BISRGBRVINUHPL-OAHLLOKOSA-N 1 0 362.474 3.648 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000107071803 945479930 /nfs/dbraw/zinc/47/99/30/945479930.db2.gz OYAGAJWLVGMTJW-HUUCEWRRSA-N 1 0 371.437 3.898 20 5 FHBDRO Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549524980 945605223 /nfs/dbraw/zinc/60/52/23/945605223.db2.gz OYFYHCVGWNQEHN-JSGCOSHPSA-N 1 0 357.376 3.843 20 5 FHBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000519771471 945728481 /nfs/dbraw/zinc/72/84/81/945728481.db2.gz QCBWMJQMJUXYIG-UKRRQHHQSA-N 1 0 371.462 3.555 20 5 FHBDRO CC(C)[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1(CO)CCC1 ZINC000550102495 945854582 /nfs/dbraw/zinc/85/45/82/945854582.db2.gz NRNAUHQFUOBOJO-QGZVFWFLSA-N 1 0 359.426 3.527 20 5 FHBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1Cl ZINC000439698183 945936128 /nfs/dbraw/zinc/93/61/28/945936128.db2.gz XEVLICWPZHEWPL-INIZCTEOSA-N 1 0 374.872 3.992 20 5 FHBDRO COc1ccc(-c2ccc(C[N@H+](C)CC3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000093314745 946262054 /nfs/dbraw/zinc/26/20/54/946262054.db2.gz SIGMFFVBPXNQAZ-UHFFFAOYSA-N 1 0 360.410 3.722 20 5 FHBDRO C[NH+](C)CC[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC001126107979 946275105 /nfs/dbraw/zinc/27/51/05/946275105.db2.gz DNKUIIYXNVMJRB-INIZCTEOSA-N 1 0 369.893 3.663 20 5 FHBDRO C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000186478828 946370697 /nfs/dbraw/zinc/37/06/97/946370697.db2.gz GLSLUZQNCUZFNL-PXAZEXFGSA-N 1 0 361.829 3.669 20 5 FHBDRO C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000186478845 946371198 /nfs/dbraw/zinc/37/11/98/946371198.db2.gz GLSLUZQNCUZFNL-YVEFUNNKSA-N 1 0 361.829 3.669 20 5 FHBDRO Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000043148670 946397537 /nfs/dbraw/zinc/39/75/37/946397537.db2.gz LOZIUFBKQITVEV-UHFFFAOYSA-N 1 0 368.437 3.689 20 5 FHBDRO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000441344604 946492756 /nfs/dbraw/zinc/49/27/56/946492756.db2.gz IWMLTNZXGFFXHP-WNYOCNMUSA-N 1 0 374.412 3.557 20 5 FHBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000441383420 946506692 /nfs/dbraw/zinc/50/66/92/946506692.db2.gz LOCBRUWFVYPIGM-INIZCTEOSA-N 1 0 374.412 3.686 20 5 FHBDRO COc1ccc(OCC[N@@H+]2C[C@@H](c3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000441400628 946556774 /nfs/dbraw/zinc/55/67/74/946556774.db2.gz WWSNLTVYHAGFNT-WBVHZDCISA-N 1 0 356.422 3.860 20 5 FHBDRO COc1ccc(OCC[N@@H+]2CCSC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000441410236 946565710 /nfs/dbraw/zinc/56/57/10/946565710.db2.gz KYMWPYVHVRCDJR-GOSISDBHSA-N 1 0 374.462 3.772 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]C[C@]3(C)CCCC[C@H]3O)o2)c([N+](=O)[O-])c1 ZINC000237430771 946569664 /nfs/dbraw/zinc/56/96/64/946569664.db2.gz AIRLFMKUVVTILF-UXHICEINSA-N 1 0 374.437 3.894 20 5 FHBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H]1C ZINC000475190302 946591043 /nfs/dbraw/zinc/59/10/43/946591043.db2.gz FZXCTXVDAKSMKE-WBIUFABUSA-N 1 0 374.359 3.681 20 5 FHBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H]1C ZINC000475190301 946591272 /nfs/dbraw/zinc/59/12/72/946591272.db2.gz FZXCTXVDAKSMKE-ITDIGPHOSA-N 1 0 374.359 3.681 20 5 FHBDRO CC(C)c1ccc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000473904410 946605299 /nfs/dbraw/zinc/60/52/99/946605299.db2.gz XCGCOIZNZKJHPU-INIZCTEOSA-N 1 0 359.470 3.522 20 5 FHBDRO COC(=O)COc1ccc(C[N@H+](Cc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000475557045 946645178 /nfs/dbraw/zinc/64/51/78/946645178.db2.gz VWKAVJFVLDUAOK-UHFFFAOYSA-N 1 0 372.421 3.557 20 5 FHBDRO C[C@H](N[C@H](c1cnn(C)c1)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000186639411 946768580 /nfs/dbraw/zinc/76/85/80/946768580.db2.gz CBHHWXXEPLYFDR-DJJJIMSYSA-N 1 0 354.385 3.908 20 5 FHBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000549578146 946839001 /nfs/dbraw/zinc/83/90/01/946839001.db2.gz SEPIDSSFMZWHMJ-NRFANRHFSA-N 1 0 367.449 3.706 20 5 FHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000579268954 946848717 /nfs/dbraw/zinc/84/87/17/946848717.db2.gz OKNLRHOCXIWIDE-ZBFHGGJFSA-N 1 0 362.857 3.935 20 5 FHBDRO Cc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)c(Br)cc1[N+](=O)[O-] ZINC000232670048 946907658 /nfs/dbraw/zinc/90/76/58/946907658.db2.gz SMAOCPOGJAZGQI-GFCCVEGCSA-N 1 0 356.264 3.808 20 5 FHBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc2ccccc2s1 ZINC000112532167 946908783 /nfs/dbraw/zinc/90/87/83/946908783.db2.gz YUPCCXNPUYTUHI-VXGBXAGGSA-N 1 0 370.434 3.882 20 5 FHBDRO CCS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000467421787 946910516 /nfs/dbraw/zinc/91/05/16/946910516.db2.gz YLIDEFHGHKXUPJ-CQSZACIVSA-N 1 0 362.451 3.548 20 5 FHBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)ccc1C[NH+](C)C ZINC001142008390 946912273 /nfs/dbraw/zinc/91/22/73/946912273.db2.gz YSVSDGCUXZUGHJ-UHFFFAOYSA-N 1 0 364.405 3.765 20 5 FHBDRO Cc1cc(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000487386265 946919696 /nfs/dbraw/zinc/91/96/96/946919696.db2.gz GLKKGAOOGVUPJV-AEFFLSMTSA-N 1 0 367.449 3.544 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2ccc(C[NH+](C)C)cc2C)c1F ZINC000909604672 946967384 /nfs/dbraw/zinc/96/73/84/946967384.db2.gz YYRDRSRPBZCBNM-UHFFFAOYSA-N 1 0 363.364 3.804 20 5 FHBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000909604794 946970614 /nfs/dbraw/zinc/97/06/14/946970614.db2.gz ZOTOBLNHWJYXMS-UHFFFAOYSA-N 1 0 369.421 3.566 20 5 FHBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000613860849 946993307 /nfs/dbraw/zinc/99/33/07/946993307.db2.gz IHSHGUAJUHDQEN-NSHDSACASA-N 1 0 374.363 3.610 20 5 FHBDRO CC(C)COc1ccccc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440494812 947047894 /nfs/dbraw/zinc/04/78/94/947047894.db2.gz NNDMRZJBPZTKLP-KRWDZBQOSA-N 1 0 370.453 3.711 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC(CCC[NH+]4CCCC4)CC3)nc2c1 ZINC000444661262 947079971 /nfs/dbraw/zinc/07/99/71/947079971.db2.gz UITGVVVXKLWMOZ-UHFFFAOYSA-N 1 0 371.485 3.559 20 5 FHBDRO COc1ccc(C[C@@H](C)C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000444674307 947099407 /nfs/dbraw/zinc/09/94/07/947099407.db2.gz KISLUAOFZGLZFM-CQSZACIVSA-N 1 0 368.437 3.790 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000063467167 947101106 /nfs/dbraw/zinc/10/11/06/947101106.db2.gz CWDMYOAFVSNDEP-UHFFFAOYSA-N 1 0 359.470 3.631 20 5 FHBDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000444679909 947103966 /nfs/dbraw/zinc/10/39/66/947103966.db2.gz WFIWHDUPFITDOU-GDBMZVCRSA-N 1 0 361.442 3.793 20 5 FHBDRO CC[C@H]1CCCC[C@H]1[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000444679911 947104576 /nfs/dbraw/zinc/10/45/76/947104576.db2.gz WFIWHDUPFITDOU-GOEBONIOSA-N 1 0 361.442 3.793 20 5 FHBDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000121491552 947142445 /nfs/dbraw/zinc/14/24/45/947142445.db2.gz QPXBQDMTZUEKOS-DZGCQCFKSA-N 1 0 372.396 3.978 20 5 FHBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(OCc2ccccc2)c1 ZINC000444736532 947151571 /nfs/dbraw/zinc/15/15/71/947151571.db2.gz WIRJMPPPSBSYCF-MRXNPFEDSA-N 1 0 366.421 3.721 20 5 FHBDRO Cc1cc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1F ZINC000444747495 947185342 /nfs/dbraw/zinc/18/53/42/947185342.db2.gz ZLZBFTXCTUUWAC-UHFFFAOYSA-N 1 0 359.401 3.811 20 5 FHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000444784664 947225890 /nfs/dbraw/zinc/22/58/90/947225890.db2.gz OKKGWMLPOVVVTQ-KRWDZBQOSA-N 1 0 354.450 3.973 20 5 FHBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000444791880 947231904 /nfs/dbraw/zinc/23/19/04/947231904.db2.gz MCRFPXPGMMJICH-QGZVFWFLSA-N 1 0 361.829 3.637 20 5 FHBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000444791879 947232081 /nfs/dbraw/zinc/23/20/81/947232081.db2.gz MCRFPXPGMMJICH-KRWDZBQOSA-N 1 0 361.829 3.637 20 5 FHBDRO CC1CCC([NH+]2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000523490044 947307013 /nfs/dbraw/zinc/30/70/13/947307013.db2.gz ODZIJSDFZSBLOD-UHFFFAOYSA-N 1 0 373.497 3.595 20 5 FHBDRO CCS[C@H]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072837724 947570176 /nfs/dbraw/zinc/57/01/76/947570176.db2.gz FUGNIRBMROGDQI-CABCVRRESA-N 1 0 365.499 3.838 20 5 FHBDRO CCS[C@@H]1CC[C@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000072837839 947570647 /nfs/dbraw/zinc/57/06/47/947570647.db2.gz FWTLPJGRGMSPPV-GOEBONIOSA-N 1 0 365.499 3.838 20 5 FHBDRO Cc1ccc([C@H]2[C@@H](C)CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000536378803 947851178 /nfs/dbraw/zinc/85/11/78/947851178.db2.gz MUSQUASIQSIDTH-OXJNMPFZSA-N 1 0 355.438 3.538 20 5 FHBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000473988081 947910069 /nfs/dbraw/zinc/91/00/69/947910069.db2.gz JIIBDZFDTSCIQP-MAUKXSAKSA-N 1 0 355.438 3.613 20 5 FHBDRO Cc1c(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000248400407 947913026 /nfs/dbraw/zinc/91/30/26/947913026.db2.gz XPKWUYQQPDWUQC-RDTXWAMCSA-N 1 0 368.437 3.545 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2)o1 ZINC000105492972 948045309 /nfs/dbraw/zinc/04/53/09/948045309.db2.gz KFRJJVWVRPLFCD-INIZCTEOSA-N 1 0 352.390 3.548 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCc2nccn2C1 ZINC000278901586 948045921 /nfs/dbraw/zinc/04/59/21/948045921.db2.gz FVTFIPDHWJBYOU-HUUCEWRRSA-N 1 0 360.483 3.514 20 5 FHBDRO CC(C)[C@H](Cn1cccn1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000585726672 948240383 /nfs/dbraw/zinc/24/03/83/948240383.db2.gz ZLCSZCXMNAVEPO-HNNXBMFYSA-N 1 0 356.348 3.625 20 5 FHBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@]4(C3)CCCOC4)o2)c([N+](=O)[O-])c1 ZINC000585767912 948278362 /nfs/dbraw/zinc/27/83/62/948278362.db2.gz FGUTZPABFHLIPH-FQEVSTJZSA-N 1 0 372.421 3.866 20 5 FHBDRO CN1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)cc1 ZINC000571008171 948550970 /nfs/dbraw/zinc/55/09/70/948550970.db2.gz PIYPZHVGAUUCNM-QZTJIDSGSA-N 1 0 363.820 3.922 20 5 FHBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000182076273 948557931 /nfs/dbraw/zinc/55/79/31/948557931.db2.gz JXNBZCYHNAEMFF-FUHWJXTLSA-N 1 0 372.494 3.777 20 5 FHBDRO COC(=O)COc1ccc(C[NH2+]Cc2cccc(C(C)C)c2)cc1[N+](=O)[O-] ZINC000474005856 948586232 /nfs/dbraw/zinc/58/62/32/948586232.db2.gz BEOGAQLWGHQWFE-UHFFFAOYSA-N 1 0 372.421 3.560 20 5 FHBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1F ZINC000574854960 948634214 /nfs/dbraw/zinc/63/42/14/948634214.db2.gz FYDUTTBXXQFIJC-QGPMSJSTSA-N 1 0 366.433 3.648 20 5 FHBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(Cn3ccnc3)cc2)cccc1[N+](=O)[O-] ZINC000152106777 948743597 /nfs/dbraw/zinc/74/35/97/948743597.db2.gz ZCULWMWICFUXHQ-INIZCTEOSA-N 1 0 350.422 3.999 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000107584670 209276871 /nfs/dbraw/zinc/27/68/71/209276871.db2.gz CPNRNXHHTQJZLK-AWEZNQCLSA-N 1 0 373.478 3.961 20 5 FHBDRO Cc1ccc(C)c(OC[C@H](O)Cn2ccnc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000051451957 567958837 /nfs/dbraw/zinc/95/88/37/567958837.db2.gz DKIWGZCUJPZYPK-GOSISDBHSA-N 1 0 367.405 3.515 20 5 FHBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc(Cl)cc1 ZINC000051453678 567961231 /nfs/dbraw/zinc/96/12/31/567961231.db2.gz SXEPSKLQEQJXSO-UHFFFAOYSA-N 1 0 358.785 3.930 20 5 FHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000568532825 568047832 /nfs/dbraw/zinc/04/78/32/568047832.db2.gz FHDUIOQWGMMCQQ-GTHWOCLESA-N 1 0 357.454 3.521 20 5 FHBDRO COCCOCc1ccc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000291099397 568049513 /nfs/dbraw/zinc/04/95/13/568049513.db2.gz ZOCDPUNBAVQACM-UHFFFAOYSA-N 1 0 364.829 3.701 20 5 FHBDRO CCC[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000481582670 568060541 /nfs/dbraw/zinc/06/05/41/568060541.db2.gz OUBXAUBAHOMQOU-IEBWSBKVSA-N 1 0 362.401 3.605 20 5 FHBDRO Cc1sc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000265004323 568060801 /nfs/dbraw/zinc/06/08/01/568060801.db2.gz FGYPQLXIQWPJTK-HIFRSBDPSA-N 1 0 365.499 3.691 20 5 FHBDRO CC[C@@H](C[N@H+](CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000481688620 568089004 /nfs/dbraw/zinc/08/90/04/568089004.db2.gz LPJMAWBLEMHOSO-HNNXBMFYSA-N 1 0 355.438 3.709 20 5 FHBDRO COc1cccc([C@H](CNc2nc(C)ccc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000481708278 568090094 /nfs/dbraw/zinc/09/00/94/568090094.db2.gz ADNZOUKNCUVDHJ-SFHVURJKSA-N 1 0 356.426 3.556 20 5 FHBDRO O=[N+]([O-])c1ccc([C@H](NC2CC[NH+](CC3CC3)CC2)C(F)(F)F)cc1 ZINC000568641194 568103781 /nfs/dbraw/zinc/10/37/81/568103781.db2.gz GTKMYBSYSJDHPO-INIZCTEOSA-N 1 0 357.376 3.662 20 5 FHBDRO COc1ccccc1C[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000584683875 568188689 /nfs/dbraw/zinc/18/86/89/568188689.db2.gz IEKNVAZQHBVKQY-AWEZNQCLSA-N 1 0 353.422 3.848 20 5 FHBDRO CC[NH+]1CCN(Cc2ccccc2CNc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000302981499 568246244 /nfs/dbraw/zinc/24/62/44/568246244.db2.gz VJAFHGYJFRPYON-UHFFFAOYSA-N 1 0 368.481 3.653 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000541935025 568259620 /nfs/dbraw/zinc/25/96/20/568259620.db2.gz HGGMBFWIZLBJLJ-GOSISDBHSA-N 1 0 354.454 3.565 20 5 FHBDRO O=[N+]([O-])c1ccccc1OCCN1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000569145935 568293360 /nfs/dbraw/zinc/29/33/60/568293360.db2.gz PGIQZQMTWKLMAQ-GOSISDBHSA-N 1 0 362.813 3.701 20 5 FHBDRO CC[NH+](CC)CCOC1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000541999197 568394134 /nfs/dbraw/zinc/39/41/34/568394134.db2.gz RRWGGCCLIUQPQN-UHFFFAOYSA-N 1 0 369.893 3.571 20 5 FHBDRO C[C@H](NC(=O)c1ccccc1CC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000569606668 568409754 /nfs/dbraw/zinc/40/97/54/568409754.db2.gz JINUVZKOIWCJMS-HNNXBMFYSA-N 1 0 367.449 3.628 20 5 FHBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](c3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000569875135 568433044 /nfs/dbraw/zinc/43/30/44/568433044.db2.gz HPUUUSHFYMOEMB-INIZCTEOSA-N 1 0 371.412 3.860 20 5 FHBDRO O=C(CC[N@@H+]1CCC=C(c2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000569874018 568433048 /nfs/dbraw/zinc/43/30/48/568433048.db2.gz IJZNOFLFUNEELQ-UHFFFAOYSA-N 1 0 351.406 3.713 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000569979351 568445619 /nfs/dbraw/zinc/44/56/19/568445619.db2.gz PNMVIRLNBAUPRA-ZDUSSCGKSA-N 1 0 353.488 3.555 20 5 FHBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](Cc3ccccc3Cl)CC2)cn1 ZINC000570078233 568457439 /nfs/dbraw/zinc/45/74/39/568457439.db2.gz RXOWTYJVSSKYQX-UHFFFAOYSA-N 1 0 360.845 3.967 20 5 FHBDRO CC(C)c1ccc(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000820192327 599396058 /nfs/dbraw/zinc/39/60/58/599396058.db2.gz JXISZFRVPHFGPT-CYBMUJFWSA-N 1 0 366.425 3.749 20 5 FHBDRO CCC[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000825242610 608282448 /nfs/dbraw/zinc/28/24/48/608282448.db2.gz WOEBMWOKZYJVCC-QGZVFWFLSA-N 1 0 370.388 3.545 20 5 FHBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164618553 719063348 /nfs/dbraw/zinc/06/33/48/719063348.db2.gz BBIANLPRMBMXRS-MAUKXSAKSA-N 1 0 372.856 3.744 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164626761 719072327 /nfs/dbraw/zinc/07/23/27/719072327.db2.gz PHEDDXDEBNGHOS-RDJZCZTQSA-N 1 0 372.856 3.744 20 5 FHBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001165049403 721968764 /nfs/dbraw/zinc/96/87/64/721968764.db2.gz SAHNWMJZJNIXRJ-AWEZNQCLSA-N 1 0 352.866 3.796 20 5 FHBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccc2c(c1)OCCO2 ZINC000178729050 936327012 /nfs/dbraw/zinc/32/70/12/936327012.db2.gz AFKCECWZERHOCA-MRXNPFEDSA-N 1 0 358.394 3.616 20 5 FHBDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153684975 936382659 /nfs/dbraw/zinc/38/26/59/936382659.db2.gz GYDZNIAAJAXZIV-UHFFFAOYSA-N 1 0 374.872 3.992 20 5 FHBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(F)cc1 ZINC000516616597 945069083 /nfs/dbraw/zinc/06/90/83/945069083.db2.gz LQVAQCMVKHBZPY-KBXCAEBGSA-N 1 0 362.401 3.557 20 5 FHBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000557572923 927075720 /nfs/dbraw/zinc/07/57/20/927075720.db2.gz CWFXFZRDYNGCHR-UHFFFAOYSA-N 1 0 361.467 3.758 20 5 FHBDRO CCCN(Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC000216527595 927111918 /nfs/dbraw/zinc/11/19/18/927111918.db2.gz JHGATYUAVLAWFR-AWEZNQCLSA-N 1 0 359.401 3.973 20 5 FHBDRO CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000247983784 937151413 /nfs/dbraw/zinc/15/14/13/937151413.db2.gz IPUZUDQHXJDZIU-AHRSYUTCSA-N 1 0 363.502 3.773 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@H](O)C(F)(F)F)s1 ZINC000579765136 927338783 /nfs/dbraw/zinc/33/87/83/927338783.db2.gz SOQQPZQDORGUTE-AWEZNQCLSA-N 1 0 360.357 3.726 20 5 FHBDRO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000248012192 937174238 /nfs/dbraw/zinc/17/42/38/937174238.db2.gz LIVYFSNAYIQICZ-SUMDDJOVSA-N 1 0 363.502 3.691 20 5 FHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186944714 927598264 /nfs/dbraw/zinc/59/82/64/927598264.db2.gz IEEHFOQCGKQIAX-OAHLLOKOSA-N 1 0 358.413 3.865 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000120198165 927604409 /nfs/dbraw/zinc/60/44/09/927604409.db2.gz SJKOFJBBALOUKL-UHFFFAOYSA-N 1 0 374.416 3.734 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1cnn2ccccc12 ZINC000577847050 927854182 /nfs/dbraw/zinc/85/41/82/927854182.db2.gz PQOJSVAKKZLLSY-CRAIPNDOSA-N 1 0 350.422 3.744 20 5 FHBDRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000120313687 928080108 /nfs/dbraw/zinc/08/01/08/928080108.db2.gz IEKQAPTZRHWCDQ-UHFFFAOYSA-N 1 0 370.453 3.985 20 5 FHBDRO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000610225199 928305555 /nfs/dbraw/zinc/30/55/55/928305555.db2.gz DWDOWPQULYNAJP-UHFFFAOYSA-N 1 0 367.449 3.804 20 5 FHBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000118792231 928760008 /nfs/dbraw/zinc/76/00/08/928760008.db2.gz QZZMETVFYPJSNZ-UHFFFAOYSA-N 1 0 366.849 3.777 20 5 FHBDRO CC(C)C[C@H]([NH3+])c1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000583262421 937295419 /nfs/dbraw/zinc/29/54/19/937295419.db2.gz CDUHFQRYRGXJQI-LBPRGKRZSA-N 1 0 359.411 3.814 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c1 ZINC000610238064 929044298 /nfs/dbraw/zinc/04/42/98/929044298.db2.gz FNIXCGIZQNQUNL-UHFFFAOYSA-N 1 0 367.449 3.560 20 5 FHBDRO O=C(CC[N@@H+]1CCC[C@@H]1c1cccc(F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC001167094495 929146910 /nfs/dbraw/zinc/14/69/10/929146910.db2.gz RXRQFKRUEJQIQN-GOSISDBHSA-N 1 0 357.385 3.900 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000120640579 929163651 /nfs/dbraw/zinc/16/36/51/929163651.db2.gz FQFWTOWYLIEUMQ-UWJYYQICSA-N 1 0 369.465 3.627 20 5 FHBDRO C[C@@H](C[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000066853631 929208191 /nfs/dbraw/zinc/20/81/91/929208191.db2.gz GOIMDXGNUWZJMP-AWEZNQCLSA-N 1 0 352.394 3.880 20 5 FHBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cs1 ZINC000134780697 929237432 /nfs/dbraw/zinc/23/74/32/929237432.db2.gz UYUSGAHZEHYHEO-JKSUJKDBSA-N 1 0 350.415 3.884 20 5 FHBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)c1 ZINC000134857081 929406147 /nfs/dbraw/zinc/40/61/47/929406147.db2.gz AMPHPYLZHBCUTC-UHFFFAOYSA-N 1 0 366.874 3.701 20 5 FHBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000023676666 929692447 /nfs/dbraw/zinc/69/24/47/929692447.db2.gz CXTJGLVAQXUNNJ-QAPCUYQASA-N 1 0 366.417 3.839 20 5 FHBDRO CN(c1ccccc1)c1ccc(C[NH2+]CC(C)(C)CCO)cc1[N+](=O)[O-] ZINC000610294824 929697203 /nfs/dbraw/zinc/69/72/03/929697203.db2.gz KQTVDCPQKZNSTA-UHFFFAOYSA-N 1 0 357.454 3.861 20 5 FHBDRO Cc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000610004511 929772343 /nfs/dbraw/zinc/77/23/43/929772343.db2.gz PXFXXBZDRSLVOJ-HKUYNNGSSA-N 1 0 374.437 3.853 20 5 FHBDRO C[C@@H](O)C[N@H+](Cc1cc([N+](=O)[O-])ccc1Br)C1CCCCC1 ZINC001167331818 929943286 /nfs/dbraw/zinc/94/32/86/929943286.db2.gz ASTJUERQGKDWML-GFCCVEGCSA-N 1 0 371.275 3.873 20 5 FHBDRO C[NH+](C)CCc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000275729681 930058728 /nfs/dbraw/zinc/05/87/28/930058728.db2.gz XFFSLWDMORUUPQ-UHFFFAOYSA-N 1 0 361.829 3.534 20 5 FHBDRO CC1CC[NH+](CCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000275762511 930188553 /nfs/dbraw/zinc/18/85/53/930188553.db2.gz ZZHJVXCKMHMRST-UHFFFAOYSA-N 1 0 363.461 3.555 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)n1 ZINC000580116736 930264205 /nfs/dbraw/zinc/26/42/05/930264205.db2.gz RVYLHZVJIPXJQO-GOSISDBHSA-N 1 0 358.442 3.800 20 5 FHBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275820316 930474165 /nfs/dbraw/zinc/47/41/65/930474165.db2.gz SDYJHMYGHSCXDB-MRXNPFEDSA-N 1 0 363.461 3.650 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379654499 930497968 /nfs/dbraw/zinc/49/79/68/930497968.db2.gz IRFPXDDDBBKQJM-APWZRJJASA-N 1 0 369.465 3.746 20 5 FHBDRO C[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000379648142 930498028 /nfs/dbraw/zinc/49/80/28/930498028.db2.gz MANCJVKVUROFJJ-FXAWDEMLSA-N 1 0 353.466 3.780 20 5 FHBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379666727 930517370 /nfs/dbraw/zinc/51/73/70/930517370.db2.gz XFMQBKIFRHJLFD-RHSMWYFYSA-N 1 0 357.458 3.585 20 5 FHBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379681526 930530260 /nfs/dbraw/zinc/53/02/60/930530260.db2.gz RGJSSMKKRYFVGV-QGZVFWFLSA-N 1 0 357.458 3.586 20 5 FHBDRO CCc1ccc(C(=O)N(c2ccccc2)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000610435088 930559642 /nfs/dbraw/zinc/55/96/42/930559642.db2.gz AKWAWBMMGMHTEA-UHFFFAOYSA-N 1 0 367.449 3.898 20 5 FHBDRO C[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000579661299 930720466 /nfs/dbraw/zinc/72/04/66/930720466.db2.gz WBCCYROXORCCNE-INIZCTEOSA-N 1 0 367.449 3.975 20 5 FHBDRO COc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000537028297 930772412 /nfs/dbraw/zinc/77/24/12/930772412.db2.gz RJOQOMNTZCSVFK-NSHDSACASA-N 1 0 363.801 3.546 20 5 FHBDRO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000580577479 930873666 /nfs/dbraw/zinc/87/36/66/930873666.db2.gz YIGDZELLDFVIQC-HOCLYGCPSA-N 1 0 364.442 3.595 20 5 FHBDRO Cc1cccc2c1OC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000579779026 931019535 /nfs/dbraw/zinc/01/95/35/931019535.db2.gz WJSAEBDZMJTOOL-CQSZACIVSA-N 1 0 364.348 3.598 20 5 FHBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000537852652 931339828 /nfs/dbraw/zinc/33/98/28/931339828.db2.gz IDGDUKGETNNKNE-OCCSQVGLSA-N 1 0 374.466 3.920 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000581046066 931523017 /nfs/dbraw/zinc/52/30/17/931523017.db2.gz OANJWCSSKRLQHV-UHFFFAOYSA-N 1 0 368.437 3.716 20 5 FHBDRO Cc1c(Br)c(NCC[NH+](C(C)C)C(C)C)ncc1[N+](=O)[O-] ZINC000165710065 932042880 /nfs/dbraw/zinc/04/28/80/932042880.db2.gz LNVAFTZFYFJKEY-UHFFFAOYSA-N 1 0 359.268 3.591 20 5 FHBDRO O=C(CC[NH2+][C@@H]1C[C@H]1c1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000581484454 932156040 /nfs/dbraw/zinc/15/60/40/932156040.db2.gz KLJFDBWWRFEGKU-GOEBONIOSA-N 1 0 359.813 3.723 20 5 FHBDRO Cc1cccc2nc(C[NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)cn21 ZINC000178056389 932243091 /nfs/dbraw/zinc/24/30/91/932243091.db2.gz ZKMYGBWATFFYOI-SFHVURJKSA-N 1 0 350.422 3.662 20 5 FHBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000394053997 932322956 /nfs/dbraw/zinc/32/29/56/932322956.db2.gz ZBTKSTOJQHCHSA-FQEVSTJZSA-N 1 0 353.466 3.987 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000255340780 932405081 /nfs/dbraw/zinc/40/50/81/932405081.db2.gz MUGBUUWLCHZZIN-BQLWYNFJSA-N 1 0 366.339 3.648 20 5 FHBDRO Cc1ccc(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000477258731 932435538 /nfs/dbraw/zinc/43/55/38/932435538.db2.gz VKTCWCJABJCNNO-HXUWFJFHSA-N 1 0 367.449 3.544 20 5 FHBDRO Cc1ccc(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000477258730 932435766 /nfs/dbraw/zinc/43/57/66/932435766.db2.gz VKTCWCJABJCNNO-FQEVSTJZSA-N 1 0 367.449 3.544 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000477291024 932453044 /nfs/dbraw/zinc/45/30/44/932453044.db2.gz KIJVRZMKHXPDDH-MRXNPFEDSA-N 1 0 361.829 3.589 20 5 FHBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000157431398 932532239 /nfs/dbraw/zinc/53/22/39/932532239.db2.gz RGBLVYAAICCWJB-UHFFFAOYSA-N 1 0 364.405 3.765 20 5 FHBDRO CCc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000471687318 932619131 /nfs/dbraw/zinc/61/91/31/932619131.db2.gz WRQKFGXFTNXUQC-UHFFFAOYSA-N 1 0 367.449 3.683 20 5 FHBDRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000891566143 932767176 /nfs/dbraw/zinc/76/71/76/932767176.db2.gz BBXIFNIUQHHHLC-AWEZNQCLSA-N 1 0 361.467 3.870 20 5 FHBDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001167487426 932849864 /nfs/dbraw/zinc/84/98/64/932849864.db2.gz LXSWMKFFXKYXNH-MNOVXSKESA-N 1 0 350.806 3.919 20 5 FHBDRO O=C(C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000178206669 932879994 /nfs/dbraw/zinc/87/99/94/932879994.db2.gz IXZNUFPXKXBYNY-SJORKVTESA-N 1 0 353.422 3.534 20 5 FHBDRO CCc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000471787501 932912203 /nfs/dbraw/zinc/91/22/03/932912203.db2.gz LJCNXQLVSANSND-UHFFFAOYSA-N 1 0 373.428 3.500 20 5 FHBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000588435603 932937861 /nfs/dbraw/zinc/93/78/61/932937861.db2.gz HKGWAQMXICSBGC-OJSRQPNCSA-N 1 0 369.421 3.544 20 5 FHBDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000471809712 932992754 /nfs/dbraw/zinc/99/27/54/932992754.db2.gz MKRIFOFYFKHGOI-DOMZBBRYSA-N 1 0 362.813 3.996 20 5 FHBDRO COc1ccc([C@@H](CNc2cc(C)c([N+](=O)[O-])cn2)[NH+]2CCCC2)cc1 ZINC000074725580 933077080 /nfs/dbraw/zinc/07/70/80/933077080.db2.gz RTCJOAPEOIVUNW-GOSISDBHSA-N 1 0 356.426 3.556 20 5 FHBDRO Cc1sc(C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000510526690 933187186 /nfs/dbraw/zinc/18/71/86/933187186.db2.gz UFJYUFNACBKNRR-PXAZEXFGSA-N 1 0 361.467 3.694 20 5 FHBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1C)[NH+](C)C ZINC000510553497 933218604 /nfs/dbraw/zinc/21/86/04/933218604.db2.gz RWEOLHNXJVTXGP-IERDGZPVSA-N 1 0 369.465 3.562 20 5 FHBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000430820044 933260195 /nfs/dbraw/zinc/26/01/95/933260195.db2.gz HISCQJXGYMOJHO-KBPBESRZSA-N 1 0 353.488 3.595 20 5 FHBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000430820047 933260297 /nfs/dbraw/zinc/26/02/97/933260297.db2.gz HISCQJXGYMOJHO-ZIAGYGMSSA-N 1 0 353.488 3.595 20 5 FHBDRO CN(C(=O)C[NH+]1CCC(C)(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000510771867 933694453 /nfs/dbraw/zinc/69/44/53/933694453.db2.gz YHNKHNUFKMISOI-UHFFFAOYSA-N 1 0 367.449 3.611 20 5 FHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000477862649 933814691 /nfs/dbraw/zinc/81/46/91/933814691.db2.gz OCXDBEITBMRZCK-AWEZNQCLSA-N 1 0 353.422 3.979 20 5 FHBDRO Cc1c(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000431082681 933815251 /nfs/dbraw/zinc/81/52/51/933815251.db2.gz VSQQHCQXCWNJNC-UHFFFAOYSA-N 1 0 362.474 3.783 20 5 FHBDRO CC(C)c1ccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000187655317 933963477 /nfs/dbraw/zinc/96/34/77/933963477.db2.gz ICZXKUVXYYPZTG-QGZVFWFLSA-N 1 0 359.470 3.809 20 5 FHBDRO CCOc1cc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000276972899 934177855 /nfs/dbraw/zinc/17/78/55/934177855.db2.gz XHUHXUDPQISSBW-CANCMXDXSA-N 1 0 362.451 3.582 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000510944720 934207101 /nfs/dbraw/zinc/20/71/01/934207101.db2.gz KODRHOJMYBMWSB-ZFWWWQNUSA-N 1 0 360.483 3.866 20 5 FHBDRO COc1cc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)cc([N+](=O)[O-])c1C ZINC000458270474 934573615 /nfs/dbraw/zinc/57/36/15/934573615.db2.gz SQPXZEOIAVDRKV-UHFFFAOYSA-N 1 0 357.410 3.534 20 5 FHBDRO Cc1cc(N[C@@H]2CCc3cnn(C(C)C)c3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000477974803 934579926 /nfs/dbraw/zinc/57/99/26/934579926.db2.gz WLNYCXBHGDRVOX-OAHLLOKOSA-N 1 0 365.437 3.620 20 5 FHBDRO Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)ccc1C[NH+](C)C ZINC000458293168 934587595 /nfs/dbraw/zinc/58/75/95/934587595.db2.gz UMZXBDIYXFZXBY-UHFFFAOYSA-N 1 0 361.829 3.799 20 5 FHBDRO CCOc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)cc1[N+](=O)[O-] ZINC000458307452 934631861 /nfs/dbraw/zinc/63/18/61/934631861.db2.gz DDEZYVZWBTULLT-UHFFFAOYSA-N 1 0 357.410 3.616 20 5 FHBDRO O=[N+]([O-])c1c(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc2sccn21 ZINC000065202182 934637745 /nfs/dbraw/zinc/63/77/45/934637745.db2.gz HUKLHLWACPFCOU-HNNXBMFYSA-N 1 0 371.466 3.628 20 5 FHBDRO COc1ccc([C@H]2CCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000065208989 934666706 /nfs/dbraw/zinc/66/67/06/934666706.db2.gz ZRIKRFRFZYZYFD-LJQANCHMSA-N 1 0 372.421 3.828 20 5 FHBDRO Cc1nn(C[N@@H+](CCc2nccs2)C(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000121278572 934818497 /nfs/dbraw/zinc/81/84/97/934818497.db2.gz AXXIQDRHDWJOJR-UHFFFAOYSA-N 1 0 359.455 3.620 20 5 FHBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068133854 934842788 /nfs/dbraw/zinc/84/27/88/934842788.db2.gz GBFJLLHGGRYMBX-MRXNPFEDSA-N 1 0 373.478 3.900 20 5 FHBDRO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000119654251 934980894 /nfs/dbraw/zinc/98/08/94/934980894.db2.gz LQMKOXFHULRLBE-WBVHZDCISA-N 1 0 355.438 3.841 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000157462388 935079362 /nfs/dbraw/zinc/07/93/62/935079362.db2.gz HISAIZMMZOXUCZ-AWEZNQCLSA-N 1 0 365.499 3.773 20 5 FHBDRO Cc1cnc(CC[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)s1 ZINC000157673780 935134984 /nfs/dbraw/zinc/13/49/84/935134984.db2.gz PIICXIBJOYESGV-UHFFFAOYSA-N 1 0 372.450 3.732 20 5 FHBDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000157729591 935171492 /nfs/dbraw/zinc/17/14/92/935171492.db2.gz YPUCAXWRGQCGSC-JSGCOSHPSA-N 1 0 373.457 3.533 20 5 FHBDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000157910188 935221190 /nfs/dbraw/zinc/22/11/90/935221190.db2.gz BQBIERKZQCFXMT-GXTWGEPZSA-N 1 0 373.457 3.533 20 5 FHBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000551269967 935237436 /nfs/dbraw/zinc/23/74/36/935237436.db2.gz AIBWCRCIIOVAAB-GDWUOILNSA-N 1 0 367.449 3.715 20 5 FHBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000072040974 935239392 /nfs/dbraw/zinc/23/93/92/935239392.db2.gz SYNRQXXDGOGRFZ-UHFFFAOYSA-N 1 0 370.453 3.971 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[N@H+](Cc2ccccc2)C[C@H](O)C(F)(F)F)cc1 ZINC000611575009 935246233 /nfs/dbraw/zinc/24/62/33/935246233.db2.gz BEEQBCICHYNTKY-KRWDZBQOSA-N 1 0 368.355 3.563 20 5 FHBDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000472161436 935247418 /nfs/dbraw/zinc/24/74/18/935247418.db2.gz VWZIZCGIEABNCV-RXYHWBRQSA-N 1 0 360.385 3.943 20 5 FHBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000472161438 935247594 /nfs/dbraw/zinc/24/75/94/935247594.db2.gz VWZIZCGIEABNCV-YPQKKHBXSA-N 1 0 360.385 3.943 20 5 FHBDRO C[N@H+](CCC(=O)Nc1cccc(Cl)c1)CCc1ccccc1[N+](=O)[O-] ZINC000511080986 935309411 /nfs/dbraw/zinc/30/94/11/935309411.db2.gz LBJPSEBKXJQNTK-UHFFFAOYSA-N 1 0 361.829 3.751 20 5 FHBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000551787969 935348542 /nfs/dbraw/zinc/34/85/42/935348542.db2.gz QJQXPQVSYCEPEJ-HZPDHXFCSA-N 1 0 368.359 3.736 20 5 FHBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000582180486 935381035 /nfs/dbraw/zinc/38/10/35/935381035.db2.gz YBRNWOZCOKFWCJ-UHFFFAOYSA-N 1 0 361.467 3.791 20 5 FHBDRO CC[NH+](CC)CCN(CCC(F)(F)F)Cc1c(F)cccc1[N+](=O)[O-] ZINC001167558605 935452870 /nfs/dbraw/zinc/45/28/70/935452870.db2.gz QMAGUSBHJNUHLW-UHFFFAOYSA-N 1 0 365.371 3.830 20 5 FHBDRO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000120023734 935469778 /nfs/dbraw/zinc/46/97/78/935469778.db2.gz KUQXQZLXBRDIQM-KRWDZBQOSA-N 1 0 358.438 3.765 20 5 FHBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCC2)c1 ZINC000540475763 935471709 /nfs/dbraw/zinc/47/17/09/935471709.db2.gz LSZCWTYLHDNHFO-INIZCTEOSA-N 1 0 355.438 3.925 20 5 FHBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000562033587 935532333 /nfs/dbraw/zinc/53/23/33/935532333.db2.gz BTRJHOOFOCMGCL-UHFFFAOYSA-N 1 0 360.195 3.574 20 5 FHBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+](C)C ZINC000540746050 935555239 /nfs/dbraw/zinc/55/52/39/935555239.db2.gz ODNWNNHKQSXYNM-UHFFFAOYSA-N 1 0 353.488 3.557 20 5 FHBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000511115306 935652197 /nfs/dbraw/zinc/65/21/97/935652197.db2.gz LZIYYFVOKXEFEZ-UHFFFAOYSA-N 1 0 355.438 3.675 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000127618934 935660519 /nfs/dbraw/zinc/66/05/19/935660519.db2.gz KWSDJDBSAYTQMS-UHFFFAOYSA-N 1 0 374.416 3.734 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC=C(c2ccco2)C1 ZINC000511118920 935669883 /nfs/dbraw/zinc/66/98/83/935669883.db2.gz CCSXHMAHLSCADZ-UHFFFAOYSA-N 1 0 355.394 3.614 20 5 FHBDRO Cc1ccc([C@H](C)NC(=O)CN(C)CCc2ccccc2[N+](=O)[O-])cc1C ZINC000511125857 935701095 /nfs/dbraw/zinc/70/10/95/935701095.db2.gz NLPRZBREMCLBAQ-KRWDZBQOSA-N 1 0 369.465 3.563 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CCC([NH+]4CCCC4)CC3)o2)c1 ZINC000127742583 935765401 /nfs/dbraw/zinc/76/54/01/935765401.db2.gz FPOKQKHBJSOOAQ-UHFFFAOYSA-N 1 0 355.438 3.915 20 5 FHBDRO O=C(CC[NH2+]CCc1ccc2ccccc2c1)Nc1ccccc1[N+](=O)[O-] ZINC000563370569 935770433 /nfs/dbraw/zinc/77/04/33/935770433.db2.gz XITRDFTWSSLFLZ-UHFFFAOYSA-N 1 0 363.417 3.909 20 5 FHBDRO Cc1noc(C[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277663568 935791466 /nfs/dbraw/zinc/79/14/66/935791466.db2.gz OGCCYEAMPAZXIB-KRWDZBQOSA-N 1 0 352.394 3.668 20 5 FHBDRO Cc1noc(C[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277663571 935791517 /nfs/dbraw/zinc/79/15/17/935791517.db2.gz OGCCYEAMPAZXIB-QGZVFWFLSA-N 1 0 352.394 3.668 20 5 FHBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CC23CCCC3)c1 ZINC000562078376 935805692 /nfs/dbraw/zinc/80/56/92/935805692.db2.gz DDTXDVKCGAUPBD-ZDUSSCGKSA-N 1 0 372.206 3.622 20 5 FHBDRO CN(C)[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccc(F)c1 ZINC000479878077 935911023 /nfs/dbraw/zinc/91/10/23/935911023.db2.gz YNVJZJMPAMZZPD-TZIWHRDSSA-N 1 0 371.456 3.948 20 5 FHBDRO COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)[NH+](C)C ZINC000024058182 935916562 /nfs/dbraw/zinc/91/65/62/935916562.db2.gz XYPABSKIGUYZRI-SFHVURJKSA-N 1 0 366.421 3.866 20 5 FHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611709384 935957563 /nfs/dbraw/zinc/95/75/63/935957563.db2.gz PLNJUMQHRJNUBS-HOCLYGCPSA-N 1 0 363.421 3.785 20 5 FHBDRO Cc1c([C@H](C)[NH2+]CC2(N3CCOCC3)CCCCC2)cccc1[N+](=O)[O-] ZINC000480089177 935961194 /nfs/dbraw/zinc/96/11/94/935961194.db2.gz SWXLRZKQGBJVEE-KRWDZBQOSA-N 1 0 361.486 3.589 20 5 FHBDRO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)Cc1ccsc1 ZINC000187792754 936000976 /nfs/dbraw/zinc/00/09/76/936000976.db2.gz ZDBKCUIEDPVSOV-AWEZNQCLSA-N 1 0 361.467 3.572 20 5 FHBDRO CCCCNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178644939 936022410 /nfs/dbraw/zinc/02/24/10/936022410.db2.gz AQTGWRCLQZBBFQ-OAHLLOKOSA-N 1 0 355.438 3.976 20 5 FHBDRO CC1CC[NH+](C2CCC(Nc3ncnc4ccc([N+](=O)[O-])cc43)CC2)CC1 ZINC000611712687 936031817 /nfs/dbraw/zinc/03/18/17/936031817.db2.gz OBSGLTIIYUMJNH-UHFFFAOYSA-N 1 0 369.469 3.993 20 5 FHBDRO Cc1cc(N2CCN(C(=O)CC(C)(C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611918310 936087092 /nfs/dbraw/zinc/08/70/92/936087092.db2.gz WDMFHOJNTMDKFU-UHFFFAOYSA-N 1 0 370.453 3.536 20 5 FHBDRO CCOc1c(CN2CCc3ccc([N+](=O)[O-])cc3C2)c(C)nn1CC(C)C ZINC000582836400 936195052 /nfs/dbraw/zinc/19/50/52/936195052.db2.gz GCVRANFUNWPRDW-UHFFFAOYSA-N 1 0 372.469 3.713 20 5 FHBDRO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178684825 936200697 /nfs/dbraw/zinc/20/06/97/936200697.db2.gz WKQANJOXXCHFPD-KGLIPLIRSA-N 1 0 369.421 3.784 20 5 FHBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1NC(C)=O ZINC000178686343 936202993 /nfs/dbraw/zinc/20/29/93/936202993.db2.gz YBSUIJIPAFOAKS-STQMWFEESA-N 1 0 357.410 3.974 20 5 FHBDRO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178691247 936207648 /nfs/dbraw/zinc/20/76/48/936207648.db2.gz BUMDSDUEROOMEX-KGLIPLIRSA-N 1 0 369.421 3.784 20 5 FHBDRO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178691302 936207707 /nfs/dbraw/zinc/20/77/07/936207707.db2.gz BUMDSDUEROOMEX-UONOGXRCSA-N 1 0 369.421 3.784 20 5 FHBDRO CN(CC[NH+]1CCCC1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000110908848 945150888 /nfs/dbraw/zinc/15/08/88/945150888.db2.gz FWIIBRGEINSLSQ-UHFFFAOYSA-N 1 0 368.437 3.506 20 5 FHBDRO COc1cc(C[NH2+]C2(Cc3cccc(F)c3)CCOCC2)ccc1[N+](=O)[O-] ZINC000572979478 938302774 /nfs/dbraw/zinc/30/27/74/938302774.db2.gz MHXUDGKHMGZGBO-UHFFFAOYSA-N 1 0 374.412 3.624 20 5 FHBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000583625891 938327250 /nfs/dbraw/zinc/32/72/50/938327250.db2.gz RDDHRUIMTACOTK-LSDHHAIUSA-N 1 0 369.421 3.634 20 5 FHBDRO C[C@@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458638184 938359668 /nfs/dbraw/zinc/35/96/68/938359668.db2.gz SVNRFKGNYGMUOA-UXLLHSPISA-N 1 0 374.485 3.608 20 5 FHBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000511803908 945169254 /nfs/dbraw/zinc/16/92/54/945169254.db2.gz BCCQKKLNGNWMTH-KBPBESRZSA-N 1 0 368.359 3.773 20 5 FHBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)Cc1ccccc1 ZINC000511245932 938491258 /nfs/dbraw/zinc/49/12/58/938491258.db2.gz GKGDJUNZPQHATC-IBGZPJMESA-N 1 0 369.465 3.586 20 5 FHBDRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000583936828 938492748 /nfs/dbraw/zinc/49/27/48/938492748.db2.gz PLUNLDPRXRWKRK-UHFFFAOYSA-N 1 0 374.466 3.753 20 5 FHBDRO Cc1cc(F)cc(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000176804539 938541332 /nfs/dbraw/zinc/54/13/32/938541332.db2.gz GKDLMCUEKVSOCZ-AWEZNQCLSA-N 1 0 373.428 3.902 20 5 FHBDRO Cc1ccccc1C(=O)NC1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000052746801 938551785 /nfs/dbraw/zinc/55/17/85/938551785.db2.gz HSENDCIZYUHEET-INIZCTEOSA-N 1 0 367.449 3.859 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(CNCc3c(F)cccc3N3CCCC3)nc2c1 ZINC000278631482 938601581 /nfs/dbraw/zinc/60/15/81/938601581.db2.gz IFWGFKQQFWXIRJ-UHFFFAOYSA-N 1 0 369.400 3.500 20 5 FHBDRO C[C@@H]([NH2+]C1(CNc2ccc([N+](=O)[O-])cc2)CCOCC1)c1ccccc1 ZINC000080982991 938712491 /nfs/dbraw/zinc/71/24/91/938712491.db2.gz GGVVHFJJRNFUMO-MRXNPFEDSA-N 1 0 355.438 3.907 20 5 FHBDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)cc1[N+](=O)[O-] ZINC000573263486 938908587 /nfs/dbraw/zinc/90/85/87/938908587.db2.gz UQGUQHWZQKPEQV-NOCIGQNYSA-N 1 0 362.470 3.755 20 5 FHBDRO C[C@H](O)[C@@](C)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000480439077 938921899 /nfs/dbraw/zinc/92/18/99/938921899.db2.gz BYZHYNOSELUPEG-VFEYZMLASA-N 1 0 354.450 3.827 20 5 FHBDRO CCOC[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000093839058 938930436 /nfs/dbraw/zinc/93/04/36/938930436.db2.gz WEFBPKIFMBPHMC-CQSZACIVSA-N 1 0 360.410 3.722 20 5 FHBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1OC ZINC000573265469 938951721 /nfs/dbraw/zinc/95/17/21/938951721.db2.gz ADBBIFJNDUGQPU-SUMWQHHRSA-N 1 0 356.422 3.820 20 5 FHBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCOc2ccc(C(F)(F)F)cn2)c1 ZINC000480462803 938954356 /nfs/dbraw/zinc/95/43/56/938954356.db2.gz DKRTVKOQMSNUIB-UHFFFAOYSA-N 1 0 355.316 3.567 20 5 FHBDRO COc1cc(CN(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)ccc1O ZINC000179186058 938986700 /nfs/dbraw/zinc/98/67/00/938986700.db2.gz QSVVAWPCNMJZAK-UHFFFAOYSA-N 1 0 369.377 3.596 20 5 FHBDRO Cn1cccc1[C@H]1CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179219378 938991149 /nfs/dbraw/zinc/99/11/49/938991149.db2.gz FDSOFXGCFRQETO-GOSISDBHSA-N 1 0 352.394 3.925 20 5 FHBDRO Cc1cc(F)cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000176903449 938992903 /nfs/dbraw/zinc/99/29/03/938992903.db2.gz KIQFPCQAQYKOQS-UHFFFAOYSA-N 1 0 371.412 3.568 20 5 FHBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1cccc(F)c1 ZINC000472351501 939014393 /nfs/dbraw/zinc/01/43/93/939014393.db2.gz SQDWFAGQFRISGH-HEFCMCLBSA-N 1 0 374.412 3.557 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]CCc3ccccn3)o2)c([N+](=O)[O-])c1 ZINC000102419235 939017880 /nfs/dbraw/zinc/01/78/80/939017880.db2.gz DLNZXMAFZUTXAY-UHFFFAOYSA-N 1 0 353.378 3.591 20 5 FHBDRO C[NH+](C)Cc1cc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1F ZINC000120833607 945221368 /nfs/dbraw/zinc/22/13/68/945221368.db2.gz CNTDORXHEXCDQS-FQEVSTJZSA-N 1 0 371.456 3.906 20 5 FHBDRO CS[C@@H]1CCCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092063984 945234026 /nfs/dbraw/zinc/23/40/26/945234026.db2.gz DCQZFVDBMKXQGU-QGZVFWFLSA-N 1 0 360.483 3.713 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@]3(CO)CCc4ccccc43)o2)cc1 ZINC000135900368 939913986 /nfs/dbraw/zinc/91/39/86/939913986.db2.gz HHBZTUKNBITLHJ-OAQYLSRUSA-N 1 0 364.401 3.778 20 5 FHBDRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000179744487 939930214 /nfs/dbraw/zinc/93/02/14/939930214.db2.gz SCUHWZTUAKQGLE-UHFFFAOYSA-N 1 0 353.422 3.754 20 5 FHBDRO CC(C)c1ccc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000179819799 939952158 /nfs/dbraw/zinc/95/21/58/939952158.db2.gz YRLACBLBGMWFKP-UHFFFAOYSA-N 1 0 359.470 3.553 20 5 FHBDRO C[C@H]([NH2+]CC(=O)N1CCC[C@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000364730793 939990695 /nfs/dbraw/zinc/99/06/95/939990695.db2.gz RHKBWBOEJWTZDM-BBRMVZONSA-N 1 0 359.451 3.671 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C)(C)CC(C)(C)C ZINC000411233877 940016384 /nfs/dbraw/zinc/01/63/84/940016384.db2.gz XBEPMBPEWGFAPU-UHFFFAOYSA-N 1 0 351.447 3.736 20 5 FHBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](C)c1cccc(O)c1 ZINC000411336557 940028116 /nfs/dbraw/zinc/02/81/16/940028116.db2.gz SWHWSILRDKTYSH-CQSZACIVSA-N 1 0 357.410 3.712 20 5 FHBDRO Cc1ccc2ncc(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc2c1 ZINC000411375496 940033289 /nfs/dbraw/zinc/03/32/89/940033289.db2.gz QESHCFIEIUHNHM-QGZVFWFLSA-N 1 0 363.421 3.533 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+]CCc2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000411475252 940047501 /nfs/dbraw/zinc/04/75/01/940047501.db2.gz NORRRRNWTPYRDW-CQSZACIVSA-N 1 0 352.394 3.847 20 5 FHBDRO CC[C@@H]([NH2+]CCc1nc(-c2ccccc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000411470106 940051495 /nfs/dbraw/zinc/05/14/95/940051495.db2.gz BMYSQWXYXDGNBS-QGZVFWFLSA-N 1 0 352.394 3.928 20 5 FHBDRO C[C@H]([NH2+]CCC(=O)N[C@H]1CCCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000411485514 940051622 /nfs/dbraw/zinc/05/16/22/940051622.db2.gz RFLZUHJTQNFYNO-KXBFYZLASA-N 1 0 367.449 3.829 20 5 FHBDRO CC(C)[N@H+](C)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236652605 940122779 /nfs/dbraw/zinc/12/27/79/940122779.db2.gz NRENFKGZUADXEC-UHFFFAOYSA-N 1 0 351.834 3.938 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000111054938 945301371 /nfs/dbraw/zinc/30/13/71/945301371.db2.gz IJQSRCOEGKFGJD-GJZGRUSLSA-N 1 0 363.458 3.736 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000612580288 940160216 /nfs/dbraw/zinc/16/02/16/940160216.db2.gz NBHXJPUTLOMHON-DLBZAZTESA-N 1 0 368.355 3.527 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000124825008 945322516 /nfs/dbraw/zinc/32/25/16/945322516.db2.gz CNCSSLHSWDPZDX-AWEZNQCLSA-N 1 0 357.410 3.591 20 5 FHBDRO CC[C@H]1CCC[N@@H+]1Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000511479153 940593460 /nfs/dbraw/zinc/59/34/60/940593460.db2.gz PXYOFXMLKVOYBN-LBPRGKRZSA-N 1 0 362.348 3.919 20 5 FHBDRO [NH3+]CCN(Cc1ccc(-c2ccncc2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000581851545 940627166 /nfs/dbraw/zinc/62/71/66/940627166.db2.gz REMIGWLNZYBSLA-UHFFFAOYSA-N 1 0 366.396 3.761 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000173508236 940632676 /nfs/dbraw/zinc/63/26/76/940632676.db2.gz SWGFWOWNTWHPAS-QGZVFWFLSA-N 1 0 367.449 3.640 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000582374088 940661699 /nfs/dbraw/zinc/66/16/99/940661699.db2.gz ZDTXFOJQQPXUDR-HNNXBMFYSA-N 1 0 371.412 3.860 20 5 FHBDRO CC1(C)Oc2ccsc2[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H]1O ZINC000414183164 940724416 /nfs/dbraw/zinc/72/44/16/940724416.db2.gz NPZWXHCILLGPIO-KYJSFNMBSA-N 1 0 374.462 3.897 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2Cc3cccc(OC)c3C2)cc1[N+](=O)[O-] ZINC000414200175 940752223 /nfs/dbraw/zinc/75/22/23/940752223.db2.gz XISSTMLTSKYHQH-CZUORRHYSA-N 1 0 356.422 3.820 20 5 FHBDRO CC[C@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000616089243 940957551 /nfs/dbraw/zinc/95/75/51/940957551.db2.gz LBCWGHCPMSYMOY-INIZCTEOSA-N 1 0 364.442 3.595 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1nnc(C2CC2)s1 ZINC000414321515 940961688 /nfs/dbraw/zinc/96/16/88/940961688.db2.gz FDEVSZVQKJRVFD-UKRRQHHQSA-N 1 0 358.467 3.825 20 5 FHBDRO C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180403691 941005265 /nfs/dbraw/zinc/00/52/65/941005265.db2.gz QUPGMCYNJOVHPQ-KBPBESRZSA-N 1 0 359.401 3.604 20 5 FHBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000180407744 941005797 /nfs/dbraw/zinc/00/57/97/941005797.db2.gz VEFUVCYJAVUMJZ-LLVKDONJSA-N 1 0 363.801 3.546 20 5 FHBDRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180420933 941010149 /nfs/dbraw/zinc/01/01/49/941010149.db2.gz UWFCCUGFFCQEDY-NSHDSACASA-N 1 0 363.801 3.546 20 5 FHBDRO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180443110 941015002 /nfs/dbraw/zinc/01/50/02/941015002.db2.gz CMPCSHVEDCATSQ-SUMWQHHRSA-N 1 0 373.478 3.843 20 5 FHBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000180434103 941015602 /nfs/dbraw/zinc/01/56/02/941015602.db2.gz ZIDJDMGDOLIYAK-BDJLRTHQSA-N 1 0 365.227 3.742 20 5 FHBDRO C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccc(F)cc1F ZINC000472593761 941021582 /nfs/dbraw/zinc/02/15/82/941021582.db2.gz AQUAOVAAHMIPCW-OAUYIBNBSA-N 1 0 364.396 3.947 20 5 FHBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCCOC[C@@H]2CCOC2)c2ccccc2)c1 ZINC000180604881 941052474 /nfs/dbraw/zinc/05/24/74/941052474.db2.gz ZNMZEBKAWYRDDV-LAUBAEHRSA-N 1 0 370.449 3.717 20 5 FHBDRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C12CCCC2 ZINC000472599692 941058542 /nfs/dbraw/zinc/05/85/42/941058542.db2.gz NZPPLCAKJKXUMM-LUKYLMHMSA-N 1 0 362.474 3.602 20 5 FHBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000176583774 941060260 /nfs/dbraw/zinc/06/02/60/941060260.db2.gz HMNCLZXOQFCYQK-ZBFHGGJFSA-N 1 0 371.412 3.517 20 5 FHBDRO CCOc1cccc([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000180688214 941064092 /nfs/dbraw/zinc/06/40/92/941064092.db2.gz XAQPUDVJZCPGKQ-HNNXBMFYSA-N 1 0 371.437 3.981 20 5 FHBDRO CC[C@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000180729370 941069778 /nfs/dbraw/zinc/06/97/78/941069778.db2.gz QIXUGDNDCDFCFX-SFHVURJKSA-N 1 0 359.401 3.595 20 5 FHBDRO CCc1cc(N2CCC[C@H]([NH2+][C@@H](CC)c3cccc([N+](=O)[O-])c3)C2)ncn1 ZINC000180778795 941075026 /nfs/dbraw/zinc/07/50/26/941075026.db2.gz NHVFEBCZYRHOQL-HKUYNNGSSA-N 1 0 369.469 3.657 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCC(F)(F)F)CC1CC1 ZINC000177172257 941107232 /nfs/dbraw/zinc/10/72/32/941107232.db2.gz DOKGSHQYKGBEND-UHFFFAOYSA-N 1 0 373.375 3.896 20 5 FHBDRO COc1cc(COC(=O)c2ccc(C[NH+]3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000782844752 941108857 /nfs/dbraw/zinc/10/88/57/941108857.db2.gz WPJBGFLPSFJSSP-UHFFFAOYSA-N 1 0 370.405 3.556 20 5 FHBDRO CC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000189031952 941142285 /nfs/dbraw/zinc/14/22/85/941142285.db2.gz DBDUOBSIDLXNLF-MOPGFXCFSA-N 1 0 371.412 3.576 20 5 FHBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1(c2ccccc2)CC1 ZINC000189319541 941156072 /nfs/dbraw/zinc/15/60/72/941156072.db2.gz HLUQAALEUIDMHL-UHFFFAOYSA-N 1 0 354.406 3.625 20 5 FHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000189595545 941213549 /nfs/dbraw/zinc/21/35/49/941213549.db2.gz DTZNRPCLCZHDIO-FZMZJTMJSA-N 1 0 366.767 3.821 20 5 FHBDRO COc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000311412196 941284274 /nfs/dbraw/zinc/28/42/74/941284274.db2.gz CGEAPPOZZFOWGZ-QGZVFWFLSA-N 1 0 355.438 3.928 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+]CCOCC(F)(F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000189861781 941290048 /nfs/dbraw/zinc/29/00/48/941290048.db2.gz CTRRRBYKTDABMA-JTQLQIEISA-N 1 0 356.291 3.768 20 5 FHBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000066726870 941348391 /nfs/dbraw/zinc/34/83/91/941348391.db2.gz AFNGUWNCKRJIFR-UHFFFAOYSA-N 1 0 355.438 3.627 20 5 FHBDRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000414524471 941371663 /nfs/dbraw/zinc/37/16/63/941371663.db2.gz GWWJQXOQLKWOOP-LLVKDONJSA-N 1 0 356.348 3.673 20 5 FHBDRO Cc1ccc(Sc2ccc(CN3CC[C@@H](C[NH3+])C3)cc2[N+](=O)[O-])cc1 ZINC000414650595 941425252 /nfs/dbraw/zinc/42/52/52/941425252.db2.gz DKDRKSCEXOUANZ-INIZCTEOSA-N 1 0 357.479 3.835 20 5 FHBDRO [NH3+]C[C@@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000414793076 941468701 /nfs/dbraw/zinc/46/87/01/941468701.db2.gz CZMQGMLLSPJPMX-OAHLLOKOSA-N 1 0 361.829 3.867 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000377185972 941542278 /nfs/dbraw/zinc/54/22/78/941542278.db2.gz UWGQXEHJZIMHDZ-WMZOPIPTSA-N 1 0 367.449 3.544 20 5 FHBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)c1ccccc1 ZINC000181541474 941546894 /nfs/dbraw/zinc/54/68/94/941546894.db2.gz BVVOBLNNMWFPRZ-CHWSQXEVSA-N 1 0 361.829 3.969 20 5 FHBDRO CN(C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1CC[NH2+]CC1 ZINC000415182612 941654187 /nfs/dbraw/zinc/65/41/87/941654187.db2.gz BNSVWEPYYZOKLB-UHFFFAOYSA-N 1 0 370.409 3.603 20 5 FHBDRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000415195717 941667426 /nfs/dbraw/zinc/66/74/26/941667426.db2.gz PWYJQJGJUMXVKN-IBGZPJMESA-N 1 0 370.409 3.590 20 5 FHBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415201108 941670431 /nfs/dbraw/zinc/67/04/31/941670431.db2.gz YGIPHZGCXKORRC-UONOGXRCSA-N 1 0 370.409 3.588 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C)cc1-c1ccnn1C ZINC000549246256 941729349 /nfs/dbraw/zinc/72/93/49/941729349.db2.gz SOFXTYYCGJKBTA-UHFFFAOYSA-N 1 0 366.421 3.602 20 5 FHBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)[C@@H]1CCC[N@H+](C)C1 ZINC000151156744 941764239 /nfs/dbraw/zinc/76/42/39/941764239.db2.gz RZZVCHOATCGUHW-MRXNPFEDSA-N 1 0 369.421 3.553 20 5 FHBDRO Cc1cc(-c2noc([C@H](C)[NH2+]CCc3ccc([N+](=O)[O-])cc3)n2)ccc1F ZINC000513202583 941779266 /nfs/dbraw/zinc/77/92/66/941779266.db2.gz XFHQMHQIFZFHRK-ZDUSSCGKSA-N 1 0 370.384 3.986 20 5 FHBDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000513227763 941798188 /nfs/dbraw/zinc/79/81/88/941798188.db2.gz GCJYSBJXAKLWDX-FOIQADDNSA-N 1 0 365.433 3.567 20 5 FHBDRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000513227391 941798691 /nfs/dbraw/zinc/79/86/91/941798691.db2.gz BYBSRTRTCGJIOF-KXBFYZLASA-N 1 0 353.422 3.641 20 5 FHBDRO Cc1ccc(OC[C@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C)c1 ZINC000513395831 941890811 /nfs/dbraw/zinc/89/08/11/941890811.db2.gz AFCMTHMLLJTLES-HXUWFJFHSA-N 1 0 372.465 3.862 20 5 FHBDRO CCOc1cc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000433775703 941893447 /nfs/dbraw/zinc/89/34/47/941893447.db2.gz SQTKBWDWFBCKKN-JXFKEZNVSA-N 1 0 370.453 3.518 20 5 FHBDRO CC(C)N(CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1ccc([N+](=O)[O-])cc1 ZINC000513405271 941898936 /nfs/dbraw/zinc/89/89/36/941898936.db2.gz FVVMCOACRVHKQX-QUCCMNQESA-N 1 0 373.497 3.986 20 5 FHBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000119729111 941900629 /nfs/dbraw/zinc/90/06/29/941900629.db2.gz SKROCZLKSRGVFC-ZDUSSCGKSA-N 1 0 366.849 3.588 20 5 FHBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cc2ccccc2o1 ZINC000182626987 941940331 /nfs/dbraw/zinc/94/03/31/941940331.db2.gz GRUNRDQOLPZCQF-ZDUSSCGKSA-N 1 0 365.389 3.581 20 5 FHBDRO O=C(C[NH2+][C@H](Cc1ccccc1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000181558250 941983320 /nfs/dbraw/zinc/98/33/20/941983320.db2.gz GIHCZCJRIZLOBT-GOSISDBHSA-N 1 0 373.840 3.798 20 5 FHBDRO C[NH2+]CCC1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000415687661 942001419 /nfs/dbraw/zinc/00/14/19/942001419.db2.gz BCYMAXNUXFCMFO-UHFFFAOYSA-N 1 0 362.474 3.746 20 5 FHBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000513543329 942004382 /nfs/dbraw/zinc/00/43/82/942004382.db2.gz RNPLEADGOOVNSE-XHDPSFHLSA-N 1 0 364.377 3.578 20 5 FHBDRO COCCOc1ccc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000468628748 942056069 /nfs/dbraw/zinc/05/60/69/942056069.db2.gz CBLOQAOUAWOORE-VBKFSLOCSA-N 1 0 356.422 3.813 20 5 FHBDRO COc1ccc(C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)cc1[N+](=O)[O-] ZINC000513660145 942060606 /nfs/dbraw/zinc/06/06/06/942060606.db2.gz GIHDRDIPCWKSTQ-CYBMUJFWSA-N 1 0 374.437 3.650 20 5 FHBDRO COCCC1(C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000513679777 942072830 /nfs/dbraw/zinc/07/28/30/942072830.db2.gz ZRFUTDPIIUMBQS-GOSISDBHSA-N 1 0 372.469 3.604 20 5 FHBDRO Cc1cc(C)c2c(c1)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000501977211 942158299 /nfs/dbraw/zinc/15/82/99/942158299.db2.gz RGJFSUOWCDFIQC-UHFFFAOYSA-N 1 0 353.422 3.599 20 5 FHBDRO CC[NH2+]Cc1ccccc1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000415929525 942166748 /nfs/dbraw/zinc/16/67/48/942166748.db2.gz IBKITUSNDPVALY-UHFFFAOYSA-N 1 0 356.426 3.761 20 5 FHBDRO CO[C@]1(C)CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000280636418 942223887 /nfs/dbraw/zinc/22/38/87/942223887.db2.gz XUCHGMNWIOCNKL-LJQANCHMSA-N 1 0 359.426 3.683 20 5 FHBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000103232839 942237459 /nfs/dbraw/zinc/23/74/59/942237459.db2.gz ABCMHQVERBTSSH-UHFFFAOYSA-N 1 0 370.453 3.807 20 5 FHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413075100 942260488 /nfs/dbraw/zinc/26/04/88/942260488.db2.gz KEQCRHXGWCFCEW-RVKKMQEKSA-N 1 0 354.454 3.985 20 5 FHBDRO O=[N+]([O-])c1cnc(NCC2CC[NH+](Cc3cccs3)CC2)c(F)c1 ZINC000413091035 942273106 /nfs/dbraw/zinc/27/31/06/942273106.db2.gz HEIJTBMXRRGECH-UHFFFAOYSA-N 1 0 350.419 3.515 20 5 FHBDRO CC(C)(C)c1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000501086742 942291386 /nfs/dbraw/zinc/29/13/86/942291386.db2.gz XAGXIHZBJFVAKI-GJZGRUSLSA-N 1 0 360.458 3.641 20 5 FHBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC(C[NH+]4CCCCC4)CC3)c2c1 ZINC000413105509 942291721 /nfs/dbraw/zinc/29/17/21/942291721.db2.gz ZDADDAOTHVJRDS-UHFFFAOYSA-N 1 0 354.454 3.845 20 5 FHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000103595288 942295217 /nfs/dbraw/zinc/29/52/17/942295217.db2.gz DDXUXOZPUDIJHH-UHFFFAOYSA-N 1 0 364.490 3.634 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000420995535 942295497 /nfs/dbraw/zinc/29/54/97/942295497.db2.gz OUVVNLCLEINYRJ-AWEZNQCLSA-N 1 0 363.364 3.828 20 5 FHBDRO CN(C(=O)C[NH2+][C@@H](CC(F)F)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000421001522 942297651 /nfs/dbraw/zinc/29/76/51/942297651.db2.gz XGGQMGYARJMMHU-INIZCTEOSA-N 1 0 363.364 3.544 20 5 FHBDRO C[NH+](C)[C@H](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000431856399 942317077 /nfs/dbraw/zinc/31/70/77/942317077.db2.gz JAZGBOPGUHZODL-HXUWFJFHSA-N 1 0 367.449 3.779 20 5 FHBDRO COc1ccccc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501117100 942317309 /nfs/dbraw/zinc/31/73/09/942317309.db2.gz MTONYWAJAHRAAC-QGZVFWFLSA-N 1 0 369.421 3.769 20 5 FHBDRO COc1cc(C)c(C[C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1OC ZINC000502289015 942347435 /nfs/dbraw/zinc/34/74/35/942347435.db2.gz WFGIHOOCVUTBIZ-OAHLLOKOSA-N 1 0 358.438 3.684 20 5 FHBDRO C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)[C@H]1c1cccs1 ZINC000413157587 942353174 /nfs/dbraw/zinc/35/31/74/942353174.db2.gz IAIATGJJXBPDMH-NHYWBVRUSA-N 1 0 350.419 3.685 20 5 FHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000502345145 942372261 /nfs/dbraw/zinc/37/22/61/942372261.db2.gz YCCBUDWVULYWGZ-CHWSQXEVSA-N 1 0 355.385 3.727 20 5 FHBDRO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000366804108 942384833 /nfs/dbraw/zinc/38/48/33/942384833.db2.gz IJLFGDNUIGQSEW-IBGZPJMESA-N 1 0 367.449 3.722 20 5 FHBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000502398468 942423863 /nfs/dbraw/zinc/42/38/63/942423863.db2.gz HUDURXLWTMDLPN-UHFFFAOYSA-N 1 0 369.465 3.887 20 5 FHBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000502421056 942436434 /nfs/dbraw/zinc/43/64/34/942436434.db2.gz BTAJHJXLPSLBBT-UHFFFAOYSA-N 1 0 369.465 3.887 20 5 FHBDRO O=C(NCCC[NH2+]C1CCCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000419917940 942443889 /nfs/dbraw/zinc/44/38/89/942443889.db2.gz IJCZPNJMJGGCDM-UHFFFAOYSA-N 1 0 373.375 3.656 20 5 FHBDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000502442287 942454947 /nfs/dbraw/zinc/45/49/47/942454947.db2.gz LKYAWYGJIZSFFN-UHFFFAOYSA-N 1 0 371.462 3.704 20 5 FHBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000413199103 942456772 /nfs/dbraw/zinc/45/67/72/942456772.db2.gz IRTKPKAKPFSSCB-BEFAXECRSA-N 1 0 352.438 3.596 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2cccnc21 ZINC000413199964 942472222 /nfs/dbraw/zinc/47/22/22/942472222.db2.gz JTKMKTVQBCDUCK-WMLDXEAASA-N 1 0 352.438 3.596 20 5 FHBDRO COc1cc(C[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000505318938 942474770 /nfs/dbraw/zinc/47/47/70/942474770.db2.gz DRSGPRQMYKMBJW-LLVKDONJSA-N 1 0 362.348 3.776 20 5 FHBDRO C[NH+](C)Cc1ccc(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)cc1F ZINC000413216911 942490774 /nfs/dbraw/zinc/49/07/74/942490774.db2.gz WBOODMQGORQTLD-UHFFFAOYSA-N 1 0 372.322 3.821 20 5 FHBDRO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000541223764 942494938 /nfs/dbraw/zinc/49/49/38/942494938.db2.gz KLKICPQGEFLQCJ-WMLDXEAASA-N 1 0 358.417 3.636 20 5 FHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000505359816 942501509 /nfs/dbraw/zinc/50/15/09/942501509.db2.gz NNVZLWLCTSNMCB-UHFFFAOYSA-N 1 0 367.515 3.898 20 5 FHBDRO CC[C@@H]1C[C@@]1([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000502564084 942545417 /nfs/dbraw/zinc/54/54/17/942545417.db2.gz TWPUCWADBFFLGE-MMOPVJDHSA-N 1 0 370.449 3.558 20 5 FHBDRO CC[C@H]1C[C@@]1([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(C)c1 ZINC000502566831 942547730 /nfs/dbraw/zinc/54/77/30/942547730.db2.gz SJVXDCKNQDAHAG-KKSFZXQISA-N 1 0 367.449 3.781 20 5 FHBDRO CON1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000421397721 942547744 /nfs/dbraw/zinc/54/77/44/942547744.db2.gz MRMSZKZVPRNHPE-UHFFFAOYSA-N 1 0 365.817 3.624 20 5 FHBDRO CCCn1nccc1C1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000501582932 942552034 /nfs/dbraw/zinc/55/20/34/942552034.db2.gz VDBDPRGILZKMMO-UHFFFAOYSA-N 1 0 358.442 3.590 20 5 FHBDRO COc1cc(C[N@H+](C)[C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000429590658 942567094 /nfs/dbraw/zinc/56/70/94/942567094.db2.gz PHZWKFLHWGATMX-YPMHNXCESA-N 1 0 358.385 3.868 20 5 FHBDRO CSc1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181806545 942617502 /nfs/dbraw/zinc/61/75/02/942617502.db2.gz JNZQEKZJBMWIFI-ZDUSSCGKSA-N 1 0 359.451 3.914 20 5 FHBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCc1cccc(Cl)c1Cl)CC2 ZINC000434472577 942692073 /nfs/dbraw/zinc/69/20/73/942692073.db2.gz ASWUUIZCUHYSOI-UHFFFAOYSA-N 1 0 352.221 3.897 20 5 FHBDRO CCC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000367126621 942697636 /nfs/dbraw/zinc/69/76/36/942697636.db2.gz NTJSFQQSBBENMT-YTQUADARSA-N 1 0 362.470 3.593 20 5 FHBDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000183630259 942754312 /nfs/dbraw/zinc/75/43/12/942754312.db2.gz LJBNCJJUZIBLDR-CABCVRRESA-N 1 0 370.405 3.740 20 5 FHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421710394 942763833 /nfs/dbraw/zinc/76/38/33/942763833.db2.gz KITKEZZZVKZVSW-OAHLLOKOSA-N 1 0 365.499 3.509 20 5 FHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000378457857 942789906 /nfs/dbraw/zinc/78/99/06/942789906.db2.gz CYCAEQKTXZSSJN-ZDUSSCGKSA-N 1 0 374.466 3.838 20 5 FHBDRO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)[NH+]2CCCC2)o1 ZINC000421759743 942802077 /nfs/dbraw/zinc/80/20/77/942802077.db2.gz VLRMOVUYOQOXOA-SFHVURJKSA-N 1 0 371.437 3.680 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC2(C[C@H]2C(=O)N2CCCC2)CC1 ZINC000378501876 942831703 /nfs/dbraw/zinc/83/17/03/942831703.db2.gz ZUWCKJFFSJEGLD-APWZRJJASA-N 1 0 371.481 3.689 20 5 FHBDRO Cc1ccc([C@@]2(C)CC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1 ZINC000434744331 942936694 /nfs/dbraw/zinc/93/66/94/942936694.db2.gz HXDQZBFMPBYTNY-NRFANRHFSA-N 1 0 368.433 3.933 20 5 FHBDRO Cc1ccc([C@@]2(C)CC[N@@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000434747003 942937859 /nfs/dbraw/zinc/93/78/59/942937859.db2.gz NSYBFJNVMRGYGS-NRFANRHFSA-N 1 0 367.449 3.530 20 5 FHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CCC(F)(F)CC1 ZINC000503089711 942978525 /nfs/dbraw/zinc/97/85/25/942978525.db2.gz ZCZLYJGCTUHWGN-LBPRGKRZSA-N 1 0 355.385 3.727 20 5 FHBDRO Cc1c(NC(=O)N2CCN(Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000416740636 943073954 /nfs/dbraw/zinc/07/39/54/943073954.db2.gz UVCPCVIXGFLEEZ-HNNXBMFYSA-N 1 0 368.437 3.641 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@@H](OC)C(F)(F)F)cc1[N+](=O)[O-] ZINC000469264337 943115775 /nfs/dbraw/zinc/11/57/75/943115775.db2.gz TWCONTMIAOCHFS-QMTHXVAHSA-N 1 0 350.337 3.612 20 5 FHBDRO CC(C)(CC[NH3+])NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000422556726 943179229 /nfs/dbraw/zinc/17/92/29/943179229.db2.gz GSCMGTKZWDAYFS-UHFFFAOYSA-N 1 0 358.398 3.636 20 5 FHBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1c(C)ccc([N+](=O)[O-])c1C)[NH+](C)C ZINC001269373032 943219272 /nfs/dbraw/zinc/21/92/72/943219272.db2.gz HEOXFONJWKJWFU-OXQOHEQNSA-N 1 0 369.465 3.941 20 5 FHBDRO O=C(CC[NH2+]CC1(c2ccccc2Cl)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000514825412 943313940 /nfs/dbraw/zinc/31/39/40/943313940.db2.gz UFQWXEQQUUHTTE-UHFFFAOYSA-N 1 0 373.840 3.898 20 5 FHBDRO COc1ccc(-c2ccc(CN(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)o2)c([N+](=O)[O-])c1 ZINC000435374986 943357183 /nfs/dbraw/zinc/35/71/83/943357183.db2.gz KOMDVXIQBJYSNN-YIONKMFJSA-N 1 0 371.437 3.578 20 5 FHBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549464843 943393176 /nfs/dbraw/zinc/39/31/76/943393176.db2.gz IAOINPZMXWPODT-AWEZNQCLSA-N 1 0 359.392 3.920 20 5 FHBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000549466343 943406501 /nfs/dbraw/zinc/40/65/01/943406501.db2.gz BTKKMPJLHOWQPY-CYBMUJFWSA-N 1 0 359.392 3.777 20 5 FHBDRO Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423352158 943487717 /nfs/dbraw/zinc/48/77/17/943487717.db2.gz JXNJYYVCKBGSLG-RCCFBDPRSA-N 1 0 355.442 3.524 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(-n3cncn3)c1)CCCC2 ZINC000417313117 943509006 /nfs/dbraw/zinc/50/90/06/943509006.db2.gz OTXUPTWEOMQHMW-FQEVSTJZSA-N 1 0 363.421 3.733 20 5 FHBDRO CCC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000367126619 943580916 /nfs/dbraw/zinc/58/09/16/943580916.db2.gz NTJSFQQSBBENMT-NZSAHSFTSA-N 1 0 362.470 3.593 20 5 FHBDRO C[S@](=O)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCC1 ZINC000435752632 943586246 /nfs/dbraw/zinc/58/62/46/943586246.db2.gz YUCIKUJAWPFSDA-DEOSSOPVSA-N 1 0 364.492 3.714 20 5 FHBDRO C[NH+](C)CCc1ccccc1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000504640999 943727627 /nfs/dbraw/zinc/72/76/27/943727627.db2.gz BKMORVQZBJMLMT-UHFFFAOYSA-N 1 0 355.438 3.615 20 5 FHBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000515325161 943789276 /nfs/dbraw/zinc/78/92/76/943789276.db2.gz MMGVPBQDTNAKJA-MAUKXSAKSA-N 1 0 371.485 3.609 20 5 FHBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000515325162 943789364 /nfs/dbraw/zinc/78/93/64/943789364.db2.gz MMGVPBQDTNAKJA-QAPCUYQASA-N 1 0 371.485 3.609 20 5 FHBDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000515327850 943791359 /nfs/dbraw/zinc/79/13/59/943791359.db2.gz DFHJLYHXTCMONN-ZDUSSCGKSA-N 1 0 366.421 3.928 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](Cc2ccccc2)CN(C)C)cc1[N+](=O)[O-] ZINC000504899065 943877385 /nfs/dbraw/zinc/87/73/85/943877385.db2.gz AEKGFAIVYCDIEL-VQIMIIECSA-N 1 0 371.481 3.817 20 5 FHBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000425422345 943880485 /nfs/dbraw/zinc/88/04/85/943880485.db2.gz NASWEWKOUNNZGK-WFASDCNBSA-N 1 0 370.291 3.662 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000504894643 943892930 /nfs/dbraw/zinc/89/29/30/943892930.db2.gz NGYUEGJBIJHNQG-VQIMIIECSA-N 1 0 369.465 3.919 20 5 FHBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000417822158 943896018 /nfs/dbraw/zinc/89/60/18/943896018.db2.gz DZMGQTDSYLALBZ-RBUKOAKNSA-N 1 0 370.453 3.608 20 5 FHBDRO Cc1ccc([C@@H](C)NC(=O)N(CCC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000417843979 943899164 /nfs/dbraw/zinc/89/91/64/943899164.db2.gz HEWNEBAVXSDHGK-MRXNPFEDSA-N 1 0 370.453 3.525 20 5 FHBDRO Cc1ccc([C@H](C)NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417855284 943906402 /nfs/dbraw/zinc/90/64/02/943906402.db2.gz QWYNWCWKXZODNB-JQHSSLGASA-N 1 0 374.485 3.528 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000566529107 943965647 /nfs/dbraw/zinc/96/56/47/943965647.db2.gz IDORLWGSONJFMJ-NJDAHSKKSA-N 1 0 352.434 3.908 20 5 FHBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000436227214 944117121 /nfs/dbraw/zinc/11/71/21/944117121.db2.gz KRXQMISMJHRQNC-INIZCTEOSA-N 1 0 370.453 3.603 20 5 FHBDRO CCS[C@H]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000500116437 944124575 /nfs/dbraw/zinc/12/45/75/944124575.db2.gz OCYKLPUKLDXYNB-KBPBESRZSA-N 1 0 351.472 3.529 20 5 FHBDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500113231 944128226 /nfs/dbraw/zinc/12/82/26/944128226.db2.gz FPNQWWITSFDMRB-SJLPKXTDSA-N 1 0 367.449 3.877 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+](C)C(C)C ZINC000505783016 944141541 /nfs/dbraw/zinc/14/15/41/944141541.db2.gz PSWVIZPHXCAJID-UHFFFAOYSA-N 1 0 353.488 3.557 20 5 FHBDRO C[NH+](C)[C@@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])c1cccs1 ZINC000436265780 944141744 /nfs/dbraw/zinc/14/17/44/944141744.db2.gz MSMAYRRGDNUJLJ-NSHDSACASA-N 1 0 360.361 3.785 20 5 FHBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000436288976 944176481 /nfs/dbraw/zinc/17/64/81/944176481.db2.gz LTUYQLKLNLSHGF-BGTYHANMSA-N 1 0 360.454 3.627 20 5 FHBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000123169765 944231475 /nfs/dbraw/zinc/23/14/75/944231475.db2.gz UDWDPTGAKSGZKB-CYBMUJFWSA-N 1 0 353.422 3.718 20 5 FHBDRO C[NH+](C)CCc1ccc(Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])cc1 ZINC000436397971 944275031 /nfs/dbraw/zinc/27/50/31/944275031.db2.gz RCEWBBYBERTWRF-UHFFFAOYSA-N 1 0 354.332 3.856 20 5 FHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000436415096 944288632 /nfs/dbraw/zinc/28/86/32/944288632.db2.gz WKRWDBYMOZTQNV-MAUKXSAKSA-N 1 0 366.465 3.885 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000506474868 944289200 /nfs/dbraw/zinc/28/92/00/944289200.db2.gz QFVABSOISYKOPI-MSOLQXFVSA-N 1 0 361.486 3.560 20 5 FHBDRO C[C@@H](c1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1)c1cccc([N+](=O)[O-])c1 ZINC000517432376 944290665 /nfs/dbraw/zinc/29/06/65/944290665.db2.gz OWSGLXMBBHQQIK-GFCCVEGCSA-N 1 0 370.384 3.997 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000506478390 944308767 /nfs/dbraw/zinc/30/87/67/944308767.db2.gz GIRFPCVQJXGIHT-ZWKOTPCHSA-N 1 0 361.486 3.560 20 5 FHBDRO CSc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000500235916 944315720 /nfs/dbraw/zinc/31/57/20/944315720.db2.gz ZVWFXPOZZSBWMP-ZDUSSCGKSA-N 1 0 359.451 3.914 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H](CO)Cc3ccc(F)cc3)o2)c1 ZINC000500246933 944327947 /nfs/dbraw/zinc/32/79/47/944327947.db2.gz ZNDSXFNPNIPIQV-QGZVFWFLSA-N 1 0 370.380 3.687 20 5 FHBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000506482495 944332674 /nfs/dbraw/zinc/33/26/74/944332674.db2.gz TVHHDXYCVYMAON-RVPHRTOXSA-N 1 0 351.450 3.814 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000439119345 944355743 /nfs/dbraw/zinc/35/57/43/944355743.db2.gz YYCLEHCXJYGURD-OLZOCXBDSA-N 1 0 353.850 3.549 20 5 FHBDRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CC3 ZINC000123402918 944357440 /nfs/dbraw/zinc/35/74/40/944357440.db2.gz IBGBTJDRRODOKN-CQSZACIVSA-N 1 0 351.406 3.732 20 5 FHBDRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)CC3 ZINC000123518447 944372089 /nfs/dbraw/zinc/37/20/89/944372089.db2.gz LDSNRDYNTOMSDR-HNNXBMFYSA-N 1 0 365.433 3.774 20 5 FHBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000517552875 944386037 /nfs/dbraw/zinc/38/60/37/944386037.db2.gz CJRSXESYYJAGEB-UHFFFAOYSA-N 1 0 359.401 3.506 20 5 FHBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000518450742 944389281 /nfs/dbraw/zinc/38/92/81/944389281.db2.gz SALUYNPSZZLXMJ-UHFFFAOYSA-N 1 0 368.865 3.976 20 5 FHBDRO CC1CC[NH+]([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000515981466 944394361 /nfs/dbraw/zinc/39/43/61/944394361.db2.gz VVLOBCAIEOWNQJ-HXUWFJFHSA-N 1 0 367.449 3.798 20 5 FHBDRO CC[C@@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000426311459 944428577 /nfs/dbraw/zinc/42/85/77/944428577.db2.gz NVVAKYOXSURDHJ-GOSISDBHSA-N 1 0 351.406 3.688 20 5 FHBDRO [NH3+]CC[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(F)F ZINC000414989026 944436050 /nfs/dbraw/zinc/43/60/50/944436050.db2.gz MAUYNKYYYPNKCH-CYBMUJFWSA-N 1 0 359.760 3.580 20 5 FHBDRO C[C@@]1(c2ccccc2)CC[C@@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000425971732 944459356 /nfs/dbraw/zinc/45/93/56/944459356.db2.gz RVDCYVBKNXQGMZ-UYAOXDASSA-N 1 0 354.454 3.939 20 5 FHBDRO C[C@@H]1CCC[C@@](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)([NH+](C)C)C1 ZINC000518525267 944471497 /nfs/dbraw/zinc/47/14/97/944471497.db2.gz OIJWWPNOOXJDQR-SJKOYZFVSA-N 1 0 368.865 3.880 20 5 FHBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[NH+](CC2CCCCC2)CC1 ZINC000517657585 944472190 /nfs/dbraw/zinc/47/21/90/944472190.db2.gz DVMNBQRJDYRTCZ-UHFFFAOYSA-N 1 0 365.861 3.586 20 5 FHBDRO COc1cc(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1O ZINC000438367854 944538947 /nfs/dbraw/zinc/53/89/47/944538947.db2.gz XWSMXYDHOWTQGT-RDJZCZTQSA-N 1 0 356.422 3.810 20 5 FHBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000425993013 944557370 /nfs/dbraw/zinc/55/73/70/944557370.db2.gz JDNBEOJUGHGDJQ-NVXWUHKLSA-N 1 0 355.438 3.565 20 5 FHBDRO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000425993014 944557449 /nfs/dbraw/zinc/55/74/49/944557449.db2.gz JDNBEOJUGHGDJQ-RDJZCZTQSA-N 1 0 355.438 3.565 20 5 FHBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)c([N+](=O)[O-])cc1F ZINC000184310048 944566418 /nfs/dbraw/zinc/56/64/18/944566418.db2.gz ZMUWDMSPMPPKKU-ZDUSSCGKSA-N 1 0 370.384 3.779 20 5 FHBDRO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000311308303 944626399 /nfs/dbraw/zinc/62/63/99/944626399.db2.gz WCOFXRVXILXPPU-GOEBONIOSA-N 1 0 363.458 3.781 20 5 FHBDRO O=C(NCC[NH2+]C1CCCCCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418462574 944640859 /nfs/dbraw/zinc/64/08/59/944640859.db2.gz NFCLPZCJVDESTB-UHFFFAOYSA-N 1 0 374.485 3.581 20 5 FHBDRO CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000438485020 944668134 /nfs/dbraw/zinc/66/81/34/944668134.db2.gz CKSOVYSFEMKRKB-CHWSQXEVSA-N 1 0 374.466 3.777 20 5 FHBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000516332746 944732153 /nfs/dbraw/zinc/73/21/53/944732153.db2.gz FAIRQVHOJYTWHA-UHFFFAOYSA-N 1 0 361.829 3.630 20 5 FHBDRO C[NH+](C)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 ZINC000025855049 944732676 /nfs/dbraw/zinc/73/26/76/944732676.db2.gz YEOPYKXYWCMADO-UHFFFAOYSA-N 1 0 368.437 3.509 20 5 FHBDRO COc1cc(C[NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)c([N+](=O)[O-])cc1OC ZINC000509601889 944749103 /nfs/dbraw/zinc/74/91/03/944749103.db2.gz QJHJYKRDOYMNAW-UHFFFAOYSA-N 1 0 369.421 4.000 20 5 FHBDRO COc1ccc2cc(C[NH2+]CCOc3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000518819278 944815228 /nfs/dbraw/zinc/81/52/28/944815228.db2.gz GGOZZJHHIYEKNB-UHFFFAOYSA-N 1 0 352.390 3.925 20 5 FHBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000426871987 944885661 /nfs/dbraw/zinc/88/56/61/944885661.db2.gz RKXVWBRLEZVUMT-UHFFFAOYSA-N 1 0 357.410 3.698 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H](O)c3c(F)cccc3F)o2)c1 ZINC000123994672 944908956 /nfs/dbraw/zinc/90/89/56/944908956.db2.gz VNNHXUNUTSPBAV-QGZVFWFLSA-N 1 0 374.343 3.956 20 5 FHBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000437835902 944938970 /nfs/dbraw/zinc/93/89/70/944938970.db2.gz CTGXQUULDLWABF-MRXNPFEDSA-N 1 0 370.453 3.603 20 5 FHBDRO CC[NH+](CC)[C@H](CNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000843761038 945007626 /nfs/dbraw/zinc/00/76/26/945007626.db2.gz GEECXZBCFWSZGX-GOSISDBHSA-N 1 0 373.428 3.855 20 5 FHBDRO C[NH+](C)CC1(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCCCC1 ZINC000427052294 945030381 /nfs/dbraw/zinc/03/03/81/945030381.db2.gz MATHPZXFOXCXJK-UHFFFAOYSA-N 1 0 359.470 3.598 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000506703234 945039952 /nfs/dbraw/zinc/03/99/52/945039952.db2.gz RLEQKKSTTROSBH-HNNXBMFYSA-N 1 0 365.499 3.653 20 5 FHBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311465244 945052294 /nfs/dbraw/zinc/05/22/94/945052294.db2.gz MYSRKQCZIKBVSM-OAHLLOKOSA-N 1 0 373.840 3.595 20 5 FHBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087019856 945470751 /nfs/dbraw/zinc/47/07/51/945470751.db2.gz NURBHIRKIHFYLH-UHFFFAOYSA-N 1 0 369.465 3.686 20 5 FHBDRO CC(C)(C)[NH2+]CCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001126493096 945598480 /nfs/dbraw/zinc/59/84/80/945598480.db2.gz LCNIBDHJGABZNI-UHFFFAOYSA-N 1 0 355.438 3.906 20 5 FHBDRO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729479934 945665801 /nfs/dbraw/zinc/66/58/01/945665801.db2.gz JINNMFYFSOQMPU-KRWDZBQOSA-N 1 0 363.458 3.816 20 5 FHBDRO C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000519749613 945715527 /nfs/dbraw/zinc/71/55/27/945715527.db2.gz XJLXQNVITAPNQQ-QFBILLFUSA-N 1 0 360.385 3.792 20 5 FHBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000181757921 945742270 /nfs/dbraw/zinc/74/22/70/945742270.db2.gz XMCVPPQAJBGQHM-GFCCVEGCSA-N 1 0 369.377 3.639 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000519788245 945765741 /nfs/dbraw/zinc/76/57/41/945765741.db2.gz FBESULXWQQSGFQ-UHFFFAOYSA-N 1 0 370.453 3.801 20 5 FHBDRO CC(C)c1ccc(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000574440077 945801091 /nfs/dbraw/zinc/80/10/91/945801091.db2.gz NJCNYTDTSREOAG-APWZRJJASA-N 1 0 372.425 3.694 20 5 FHBDRO CC(C)[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301518938 945826278 /nfs/dbraw/zinc/82/62/78/945826278.db2.gz KRFKRNDDYLYJBI-UHFFFAOYSA-N 1 0 356.264 3.666 20 5 FHBDRO CCOc1ccc(NC(=O)C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000444240751 946117093 /nfs/dbraw/zinc/11/70/93/946117093.db2.gz DGGAWPPBKJCSDC-CKEIUWERSA-N 1 0 361.442 3.585 20 5 FHBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000045757781 946135560 /nfs/dbraw/zinc/13/55/60/946135560.db2.gz GGTBODMPQUQMLO-UHFFFAOYSA-N 1 0 368.437 3.689 20 5 FHBDRO C[N@H+](CCc1cnccn1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000546255933 946192188 /nfs/dbraw/zinc/19/21/88/946192188.db2.gz WLSGLZUSCMIAGX-UHFFFAOYSA-N 1 0 372.812 3.973 20 5 FHBDRO C[C@H](CC(F)(F)C[NH3+])c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001211898231 946334481 /nfs/dbraw/zinc/33/44/81/946334481.db2.gz WNRGAGDUDBICCZ-LLVKDONJSA-N 1 0 369.375 3.921 20 5 FHBDRO COc1ccc(-c2ccc(CNC[C@H](C)C[NH+]3CCCC3)o2)c([N+](=O)[O-])c1 ZINC000237429803 946457578 /nfs/dbraw/zinc/45/75/78/946457578.db2.gz HLRUSRWGSDVJJK-HNNXBMFYSA-N 1 0 373.453 3.685 20 5 FHBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000441328009 946458452 /nfs/dbraw/zinc/45/84/52/946458452.db2.gz AOZXAHGTBLDIEL-LJQANCHMSA-N 1 0 370.449 3.902 20 5 FHBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000186117800 946487651 /nfs/dbraw/zinc/48/76/51/946487651.db2.gz HXBQLFADCRUZCD-INIZCTEOSA-N 1 0 374.485 3.533 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)c3cn(C)nc3C)o2)c([N+](=O)[O-])c1 ZINC000237440202 946554330 /nfs/dbraw/zinc/55/43/30/946554330.db2.gz AMZDBWRVPQBBIA-GFCCVEGCSA-N 1 0 370.409 3.756 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(N2CCC3(C[C@@H]3N(C)Cc3nccs3)CC2)c1 ZINC000614776077 946685122 /nfs/dbraw/zinc/68/51/22/946685122.db2.gz HTBIMWRLWWKRHC-KRWDZBQOSA-N 1 0 372.494 3.851 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]CC3(C(F)F)CC3)o2)c([N+](=O)[O-])c1 ZINC000475220803 946743741 /nfs/dbraw/zinc/74/37/41/946743741.db2.gz UKMYXYKJLAFFLN-UHFFFAOYSA-N 1 0 352.337 3.998 20 5 FHBDRO COc1ccc(C[NH2+]CC2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000475286057 946823925 /nfs/dbraw/zinc/82/39/25/946823925.db2.gz OPISPWHHLGVKTI-UHFFFAOYSA-N 1 0 355.438 3.610 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]CCc3cccc(C)n3)o2)c([N+](=O)[O-])c1 ZINC000475288737 946827971 /nfs/dbraw/zinc/82/79/71/946827971.db2.gz UNAUINNVRHPJHQ-UHFFFAOYSA-N 1 0 367.405 3.899 20 5 FHBDRO CCc1ccc([C@@H](NCC2=CC[N@H+](C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544380642 946867974 /nfs/dbraw/zinc/86/79/74/946867974.db2.gz QYQOUIWOJHVYPJ-FQEVSTJZSA-N 1 0 355.438 3.691 20 5 FHBDRO Cc1cc(N(C(=N)N)c2ccc(F)cc2)c([N+](=O)[O-])cc1Br ZINC001167995172 946892350 /nfs/dbraw/zinc/89/23/50/946892350.db2.gz VHHJQZSTGVSVLT-UHFFFAOYSA-N 1 0 367.178 3.836 20 5 FHBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000112532164 946908911 /nfs/dbraw/zinc/90/89/11/946908911.db2.gz YUPCCXNPUYTUHI-NEPJUHHUSA-N 1 0 370.434 3.882 20 5 FHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC[C@H]3OCCc4ccccc43)nc2c1 ZINC000897234233 946982542 /nfs/dbraw/zinc/98/25/42/946982542.db2.gz LOAPBICLNZEJLX-QGZVFWFLSA-N 1 0 353.378 3.530 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3Cc3ccc(F)cc3)nc2c1 ZINC000444595986 947020587 /nfs/dbraw/zinc/02/05/87/947020587.db2.gz KOFGXMQKHLAEAA-OAHLLOKOSA-N 1 0 354.385 3.817 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H](Cc4ccc(F)cc4)C3)nc2c1 ZINC000444644206 947067099 /nfs/dbraw/zinc/06/70/99/947067099.db2.gz VGQDYUWPLAXIDX-AWEZNQCLSA-N 1 0 354.385 3.675 20 5 FHBDRO Cc1c([C@@H](C)[NH2+][C@H](COC(N)=O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000840862429 947068872 /nfs/dbraw/zinc/06/88/72/947068872.db2.gz GGRLTLBETJSADQ-ZBFHGGJFSA-N 1 0 357.410 3.674 20 5 FHBDRO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCCC[C@H]1C ZINC000444675380 947100233 /nfs/dbraw/zinc/10/02/33/947100233.db2.gz LXEPIGKOAFYVTH-ZBFHGGJFSA-N 1 0 361.442 3.793 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)nc2c1 ZINC000444689785 947113271 /nfs/dbraw/zinc/11/32/71/947113271.db2.gz PGAMTSYEWTVBGW-KBXCAEBGSA-N 1 0 366.421 3.729 20 5 FHBDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000121491222 947140451 /nfs/dbraw/zinc/14/04/51/947140451.db2.gz QPXBQDMTZUEKOS-HIFRSBDPSA-N 1 0 372.396 3.978 20 5 FHBDRO CC(C)O[C@@H](C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000428387523 947440600 /nfs/dbraw/zinc/44/06/00/947440600.db2.gz YLJQXMYMCMJZTK-MJGOQNOKSA-N 1 0 370.453 3.642 20 5 FHBDRO Cc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c(C[NH+](C)C)c1 ZINC000072839854 947569865 /nfs/dbraw/zinc/56/98/65/947569865.db2.gz BUODUPNIRCMCLQ-UHFFFAOYSA-N 1 0 370.453 3.796 20 5 FHBDRO CCS[C@H]1CC[C@H]([N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072837720 947569980 /nfs/dbraw/zinc/56/99/80/947569980.db2.gz FUGNIRBMROGDQI-GJZGRUSLSA-N 1 0 365.499 3.838 20 5 FHBDRO C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000445292575 947683935 /nfs/dbraw/zinc/68/39/35/947683935.db2.gz HOVLXBFNAUDHTA-KSSFIOAISA-N 1 0 352.438 3.726 20 5 FHBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)c1cc2ccccc2o1 ZINC000536378132 947847686 /nfs/dbraw/zinc/84/76/86/947847686.db2.gz KLFHAAJIVWTNHX-HNNXBMFYSA-N 1 0 369.421 3.976 20 5 FHBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000441489923 947972466 /nfs/dbraw/zinc/97/24/66/947972466.db2.gz PIHOQWLOWCZDEU-KRWDZBQOSA-N 1 0 372.421 3.828 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]Cc3scnc3C)o2)c([N+](=O)[O-])c1 ZINC000105494151 948044768 /nfs/dbraw/zinc/04/47/68/948044768.db2.gz HXLRAWPHFSAEBN-UHFFFAOYSA-N 1 0 359.407 3.918 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCc2nccn2C1 ZINC000278901581 948045876 /nfs/dbraw/zinc/04/58/76/948045876.db2.gz FVTFIPDHWJBYOU-CABCVRRESA-N 1 0 360.483 3.514 20 5 FHBDRO O=C(CC[N@@H+]1CCc2ccc(Cl)cc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000536428032 948074546 /nfs/dbraw/zinc/07/45/46/948074546.db2.gz LYFLGPDHULRANN-UHFFFAOYSA-N 1 0 359.813 3.635 20 5 FHBDRO COc1ccc(C[NH2+]Cc2cc(F)cc(Br)c2)cc1[N+](=O)[O-] ZINC000106467869 948192016 /nfs/dbraw/zinc/19/20/16/948192016.db2.gz OLPURYWWHSOTME-UHFFFAOYSA-N 1 0 369.190 3.795 20 5 FHBDRO COc1cc2c(cc1OC)CC[NH+](C/C=C\c1ccccc1[N+](=O)[O-])CC2 ZINC000512036002 948247917 /nfs/dbraw/zinc/24/79/17/948247917.db2.gz BRUPFXNTLGLGCF-ALCCZGGFSA-N 1 0 368.433 3.726 20 5 FHBDRO CC1(C)C[C@H]([NH2+]Cc2cccc(-n3cncn3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000279134988 948541275 /nfs/dbraw/zinc/54/12/75/948541275.db2.gz RHNMERIVDGBGDQ-IBGZPJMESA-N 1 0 363.421 3.688 20 5 FHBDRO CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000129589224 948593294 /nfs/dbraw/zinc/59/32/94/948593294.db2.gz NCIFEIMMWYSBGK-SZVBFZGTSA-N 1 0 357.454 3.792 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)co2)cc1 ZINC000279251378 948660350 /nfs/dbraw/zinc/66/03/50/948660350.db2.gz LGNCEAFXYKNWBY-KZNAEPCWSA-N 1 0 369.421 3.687 20 5 FHBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)cc1[N+](=O)[O-] ZINC000614660612 948689979 /nfs/dbraw/zinc/68/99/79/948689979.db2.gz NVYCKLCEOJVCHB-OAQYLSRUSA-N 1 0 365.433 3.814 20 5 FHBDRO COc1ccc([C@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000108081891 209282771 /nfs/dbraw/zinc/28/27/71/209282771.db2.gz CQSMCKALSXHMSD-LJQANCHMSA-N 1 0 356.422 3.992 20 5 FHBDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000018177770 207630413 /nfs/dbraw/zinc/63/04/13/207630413.db2.gz SNWKASDSLJSAMN-UHFFFAOYSA-N 1 0 360.458 3.905 20 5 FHBDRO CC[NH+](CC)[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000481466596 567964817 /nfs/dbraw/zinc/96/48/17/567964817.db2.gz NMVFWOUZNUBKFG-LJQANCHMSA-N 1 0 355.438 3.603 20 5 FHBDRO COc1cc(F)c(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1OC ZINC000568400114 568030570 /nfs/dbraw/zinc/03/05/70/568030570.db2.gz ORCXGYPYQRBAQZ-UHFFFAOYSA-N 1 0 360.385 3.916 20 5 FHBDRO COc1cc(C[N@@H+]2CC[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490341104 568031845 /nfs/dbraw/zinc/03/18/45/568031845.db2.gz OYQGUCWWXNAGET-GFCCVEGCSA-N 1 0 358.385 3.725 20 5 FHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CC(=O)N(C)C)c1ccccc1 ZINC000481554637 568047492 /nfs/dbraw/zinc/04/74/92/568047492.db2.gz CFOBZPXPXZLSSK-QFBILLFUSA-N 1 0 369.465 3.725 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000603013620 568047719 /nfs/dbraw/zinc/04/77/19/568047719.db2.gz JRGUBKSCSNUFSB-UHFFFAOYSA-N 1 0 360.458 3.639 20 5 FHBDRO COCCOCc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000291066528 568049145 /nfs/dbraw/zinc/04/91/45/568049145.db2.gz AQSHLSPOJHRFRB-MRXNPFEDSA-N 1 0 358.438 3.917 20 5 FHBDRO CC[C@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000481545887 568049688 /nfs/dbraw/zinc/04/96/88/568049688.db2.gz PGAFQJLCUKOVSK-RBUKOAKNSA-N 1 0 355.438 3.855 20 5 FHBDRO CCSCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000072901159 568056808 /nfs/dbraw/zinc/05/68/08/568056808.db2.gz IAMQHCKCUBIYBG-LLVKDONJSA-N 1 0 359.879 3.650 20 5 FHBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc(N2CCCNC2=O)cc1 ZINC000291165032 568066409 /nfs/dbraw/zinc/06/64/09/568066409.db2.gz GFLQFORWXPRBHC-CYBMUJFWSA-N 1 0 372.400 3.504 20 5 FHBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc(N2CCCNC2=O)cc1 ZINC000291165036 568066472 /nfs/dbraw/zinc/06/64/72/568066472.db2.gz GFLQFORWXPRBHC-ZDUSSCGKSA-N 1 0 372.400 3.504 20 5 FHBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000291237310 568086165 /nfs/dbraw/zinc/08/61/65/568086165.db2.gz APLDQUXLDWCIIM-HZMBPMFUSA-N 1 0 374.268 3.704 20 5 FHBDRO COc1cc(C[NH2+][C@H]2CC[C@@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1O ZINC000481833643 568147674 /nfs/dbraw/zinc/14/76/74/568147674.db2.gz DSHLCYUBYVCPBE-OCCSQVGLSA-N 1 0 360.385 3.874 20 5 FHBDRO CC(C)[NH+]1CCC(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291494810 568180293 /nfs/dbraw/zinc/18/02/93/568180293.db2.gz UFEOTOGHSQZAEQ-UHFFFAOYSA-N 1 0 360.241 3.504 20 5 FHBDRO CC(C)(C)N1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1=O ZINC000563121854 568222788 /nfs/dbraw/zinc/22/27/88/568222788.db2.gz HLNIIZUIFLMLPO-HNNXBMFYSA-N 1 0 373.478 3.812 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CC(=O)NC)c2ccccc2)cc1[N+](=O)[O-] ZINC000482084069 568257781 /nfs/dbraw/zinc/25/77/81/568257781.db2.gz WOZJVFCMMFOEOY-RHSMWYFYSA-N 1 0 371.437 3.522 20 5 FHBDRO CSc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)[NH+](C)C)cc1 ZINC000569285320 568333436 /nfs/dbraw/zinc/33/34/36/568333436.db2.gz IKQHQBWFJQKTJR-SFHVURJKSA-N 1 0 373.478 3.658 20 5 FHBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000031766406 568336672 /nfs/dbraw/zinc/33/66/72/568336672.db2.gz ZBLIZBBGVWJLRW-UHFFFAOYSA-N 1 0 367.449 3.560 20 5 FHBDRO COc1cccc2c1CC[C@H]2[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569647371 568411282 /nfs/dbraw/zinc/41/12/82/568411282.db2.gz MOWLQYBZMROGCF-GOSISDBHSA-N 1 0 351.406 3.904 20 5 FHBDRO [NH3+]CCN(Cc1c[nH]nc1-c1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000569741300 568416932 /nfs/dbraw/zinc/41/69/32/568416932.db2.gz KLSJZFUCDUDRKB-UHFFFAOYSA-N 1 0 371.828 3.604 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000569842913 568422346 /nfs/dbraw/zinc/42/23/46/568422346.db2.gz BWQAEWCFEMAFRD-GOSISDBHSA-N 1 0 371.437 3.547 20 5 FHBDRO CN(Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000570093042 568458483 /nfs/dbraw/zinc/45/84/83/568458483.db2.gz FGBIYGDUTGARNP-AWEZNQCLSA-N 1 0 361.829 3.834 20 5 FHBDRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1csc([N+](=O)[O-])c1 ZINC000570092824 568458526 /nfs/dbraw/zinc/45/85/26/568458526.db2.gz JPXSYKKEBOLIKN-INIZCTEOSA-N 1 0 373.478 3.688 20 5 FHBDRO COCCN(C)CC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482242791 568518224 /nfs/dbraw/zinc/51/82/24/568518224.db2.gz LTZQKETXFDPKBW-CQSZACIVSA-N 1 0 363.483 3.552 20 5 FHBDRO CCC[C@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000821020709 607014458 /nfs/dbraw/zinc/01/44/58/607014458.db2.gz GUAOPJGPFNGVFG-UGSOOPFHSA-N 1 0 366.425 3.967 20 5 FHBDRO CC[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820926895 607088258 /nfs/dbraw/zinc/08/82/58/607088258.db2.gz XIHIMUAAKKXDRL-SJCJKPOMSA-N 1 0 352.398 3.577 20 5 FHBDRO CCC[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000825242609 608282649 /nfs/dbraw/zinc/28/26/49/608282649.db2.gz WOEBMWOKZYJVCC-KRWDZBQOSA-N 1 0 370.388 3.545 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)cc1[N+](=O)[O-] ZINC000826282985 609152241 /nfs/dbraw/zinc/15/22/41/609152241.db2.gz HORFSSYCHLWZJG-VXGBXAGGSA-N 1 0 370.388 3.634 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164626757 719072235 /nfs/dbraw/zinc/07/22/35/719072235.db2.gz PHEDDXDEBNGHOS-NVXWUHKLSA-N 1 0 372.856 3.744 20 5 FHBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164774183 721285906 /nfs/dbraw/zinc/28/59/06/721285906.db2.gz XTNMCANSDOOTND-UHFFFAOYSA-N 1 0 372.856 3.719 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(N2CCCC[C@H]2CC[NH+]2CCCC2)nc1Cl ZINC001165047058 721968412 /nfs/dbraw/zinc/96/84/12/721968412.db2.gz IJIVDECXLXUKKY-AWEZNQCLSA-N 1 0 352.866 3.796 20 5 FHBDRO O=[N+]([O-])c1ccc2ccnc(N3CCCC[C@@H]3CC[NH+]3CCCC3)c2c1 ZINC001165046611 721974605 /nfs/dbraw/zinc/97/46/05/721974605.db2.gz BAKUASQPKJQQSC-QGZVFWFLSA-N 1 0 354.454 3.988 20 5 FHBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000247960676 937124515 /nfs/dbraw/zinc/12/45/15/937124515.db2.gz GFAJFIZROSMVJJ-OXFYSEKESA-N 1 0 368.481 3.859 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@@H](O)C(F)(F)F)s1 ZINC000579765139 927339587 /nfs/dbraw/zinc/33/95/87/927339587.db2.gz SOQQPZQDORGUTE-CQSZACIVSA-N 1 0 360.357 3.726 20 5 FHBDRO COc1cccc([C@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)N(C)C)c1 ZINC000133682340 927543303 /nfs/dbraw/zinc/54/33/03/927543303.db2.gz QWSKXXZVXKEBQK-QRWLVFNGSA-N 1 0 357.454 3.865 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000430203949 927999765 /nfs/dbraw/zinc/99/97/65/927999765.db2.gz PXZOFUKHPXGDIQ-BEFAXECRSA-N 1 0 356.422 3.861 20 5 FHBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000248077355 937218089 /nfs/dbraw/zinc/21/80/89/937218089.db2.gz HSRXLNMTQMRWBL-JUFZMCDQSA-N 1 0 353.850 3.990 20 5 FHBDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)nc1 ZINC000471156277 928147136 /nfs/dbraw/zinc/14/71/36/928147136.db2.gz JUCISHOOFRCQDG-HZPDHXFCSA-N 1 0 368.437 3.710 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000430222602 928266782 /nfs/dbraw/zinc/26/67/82/928266782.db2.gz DOFVQQMGCQWGPY-QGZVFWFLSA-N 1 0 361.486 3.547 20 5 FHBDRO COc1ccccc1[C@@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)[NH+](C)C ZINC000097472540 928292707 /nfs/dbraw/zinc/29/27/07/928292707.db2.gz IVVIOSNCXFHHMC-GOSISDBHSA-N 1 0 366.421 3.866 20 5 FHBDRO CCC[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000126942505 928318561 /nfs/dbraw/zinc/31/85/61/928318561.db2.gz BLRIQBFFDJDIQM-IEBWSBKVSA-N 1 0 359.470 3.817 20 5 FHBDRO Cc1ccccc1OCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001167083753 928754777 /nfs/dbraw/zinc/75/47/77/928754777.db2.gz IREQVARTFDEODZ-MRXNPFEDSA-N 1 0 371.437 3.631 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000610239807 929209315 /nfs/dbraw/zinc/20/93/15/929209315.db2.gz ILBYIFDXUMMAAS-UHFFFAOYSA-N 1 0 359.470 3.631 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000394120593 929253314 /nfs/dbraw/zinc/25/33/14/929253314.db2.gz BBPHITODDFKEGM-INIZCTEOSA-N 1 0 361.829 3.561 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000134810102 929300181 /nfs/dbraw/zinc/30/01/81/929300181.db2.gz BQRJOJJIJLEVKR-UXHICEINSA-N 1 0 358.413 3.865 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000609792401 929497883 /nfs/dbraw/zinc/49/78/83/929497883.db2.gz LDCCYGBARKRWPN-AWEZNQCLSA-N 1 0 367.877 3.562 20 5 FHBDRO CN(C(=O)[C@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000430303307 929616197 /nfs/dbraw/zinc/61/61/97/929616197.db2.gz MVNNUAGSIIDWOD-AWEZNQCLSA-N 1 0 373.840 3.733 20 5 FHBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000023676663 929692159 /nfs/dbraw/zinc/69/21/59/929692159.db2.gz CXTJGLVAQXUNNJ-MAUKXSAKSA-N 1 0 366.417 3.839 20 5 FHBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275672250 929823188 /nfs/dbraw/zinc/82/31/88/929823188.db2.gz NEBKNSPXZQHNIH-OAHLLOKOSA-N 1 0 363.461 3.698 20 5 FHBDRO Cc1ccc(CN2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1[N+](=O)[O-] ZINC001167346410 930139258 /nfs/dbraw/zinc/13/92/58/930139258.db2.gz ABIPOCIVAREJDM-UHFFFAOYSA-N 1 0 353.466 4.000 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000165508583 930207441 /nfs/dbraw/zinc/20/74/41/930207441.db2.gz QJXUVKKCGBFBBP-CYBMUJFWSA-N 1 0 361.829 3.637 20 5 FHBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000583402568 937411023 /nfs/dbraw/zinc/41/10/23/937411023.db2.gz KWAFPMFCSPQQAB-HIFRSBDPSA-N 1 0 363.487 3.676 20 5 FHBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000583402567 937411194 /nfs/dbraw/zinc/41/11/94/937411194.db2.gz KWAFPMFCSPQQAB-DZGCQCFKSA-N 1 0 363.487 3.676 20 5 FHBDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)NC ZINC000610420401 930487071 /nfs/dbraw/zinc/48/70/71/930487071.db2.gz OBEDQSCBBGBKRV-YOEHRIQHSA-N 1 0 371.437 3.522 20 5 FHBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000118986639 930498597 /nfs/dbraw/zinc/49/85/97/930498597.db2.gz BGWSCYZPVPLWNP-INIZCTEOSA-N 1 0 371.824 3.873 20 5 FHBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275830899 930504180 /nfs/dbraw/zinc/50/41/80/930504180.db2.gz UHSPUMZYDGNXPH-HNNXBMFYSA-N 1 0 363.461 3.507 20 5 FHBDRO COc1ccc(C[NH2+]C(C)(C)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000379671056 930517542 /nfs/dbraw/zinc/51/75/42/930517542.db2.gz KLYDWQJPVBNLNN-UHFFFAOYSA-N 1 0 357.454 3.604 20 5 FHBDRO CC[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000165517825 930543279 /nfs/dbraw/zinc/54/32/79/930543279.db2.gz ZYHAMIKUOPQWCR-QGZVFWFLSA-N 1 0 361.829 3.719 20 5 FHBDRO COc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000537028296 930772797 /nfs/dbraw/zinc/77/27/97/930772797.db2.gz RJOQOMNTZCSVFK-LLVKDONJSA-N 1 0 363.801 3.546 20 5 FHBDRO C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000548115383 930894184 /nfs/dbraw/zinc/89/41/84/930894184.db2.gz FFHBMBKIUSLPFA-DOMZBBRYSA-N 1 0 374.466 3.825 20 5 FHBDRO Cc1ccccc1[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000537292385 930897894 /nfs/dbraw/zinc/89/78/94/930897894.db2.gz VHBBGCPNHVYURJ-KUHUBIRLSA-N 1 0 353.422 3.971 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1ccsc1 ZINC000471613395 931058464 /nfs/dbraw/zinc/05/84/64/931058464.db2.gz XMMNMWUHHJRDNS-ZIAGYGMSSA-N 1 0 352.481 3.850 20 5 FHBDRO Cc1ccc(CN(C)C2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000119314626 931208182 /nfs/dbraw/zinc/20/81/82/931208182.db2.gz MEZCQEXYLASNJO-UHFFFAOYSA-N 1 0 353.466 4.000 20 5 FHBDRO C[C@H]1C[C@H](NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC[NH2+]1 ZINC000580900372 931316281 /nfs/dbraw/zinc/31/62/81/931316281.db2.gz SSSALNXCCIGSNT-DZGCQCFKSA-N 1 0 371.462 3.616 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)Cc3ccccc3)o2)cc1 ZINC000187366618 931568873 /nfs/dbraw/zinc/56/88/73/931568873.db2.gz DOEJPWKKRHFWLJ-QGZVFWFLSA-N 1 0 352.390 3.548 20 5 FHBDRO COc1ccc([N+](=O)[O-])c(NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000581203892 931661691 /nfs/dbraw/zinc/66/16/91/931661691.db2.gz IRDUJLGERWVTEN-UHFFFAOYSA-N 1 0 371.437 3.689 20 5 FHBDRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000077221557 931835469 /nfs/dbraw/zinc/83/54/69/931835469.db2.gz SEDZREAXKJCUKP-UHFFFAOYSA-N 1 0 362.474 3.879 20 5 FHBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000255289903 931849353 /nfs/dbraw/zinc/84/93/53/931849353.db2.gz ITIVPAJISWGJKL-ZCTDBXRUSA-N 1 0 353.422 3.548 20 5 FHBDRO CC(C)OC1CCC([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000090771906 932072350 /nfs/dbraw/zinc/07/23/50/932072350.db2.gz SUKIAEZYNUTYGQ-KSTDHSDQSA-N 1 0 363.458 3.638 20 5 FHBDRO O=C(CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccc(F)cc1 ZINC000135227812 932076620 /nfs/dbraw/zinc/07/66/20/932076620.db2.gz MKPOWNMISSSXMA-UHFFFAOYSA-N 1 0 357.385 3.727 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1cccc(F)c1 ZINC000537984448 932186412 /nfs/dbraw/zinc/18/64/12/932186412.db2.gz VOHQRRKMTGCJLB-JKSUJKDBSA-N 1 0 364.442 3.928 20 5 FHBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000276350361 932236907 /nfs/dbraw/zinc/23/69/07/932236907.db2.gz WDKOIHJCKCIJEP-GFCCVEGCSA-N 1 0 359.357 3.541 20 5 FHBDRO COC[C@H](C)[N@H+](C)Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000510441715 932388903 /nfs/dbraw/zinc/38/89/03/932388903.db2.gz GVURKDFNYLNYLT-HNNXBMFYSA-N 1 0 374.437 3.649 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H](c4ccccc4)C3)n2)c1 ZINC000477291103 932453321 /nfs/dbraw/zinc/45/33/21/932453321.db2.gz QEZYPABNCYASDY-INIZCTEOSA-N 1 0 350.378 3.634 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000477286948 932453810 /nfs/dbraw/zinc/45/38/10/932453810.db2.gz LUBLKKVNIQIQKS-FQEVSTJZSA-N 1 0 367.449 3.544 20 5 FHBDRO O=C1Nc2ccccc2C12CCC([NH2+]CCc1cccc([N+](=O)[O-])c1)CC2 ZINC000090909996 932625847 /nfs/dbraw/zinc/62/58/47/932625847.db2.gz JEMUBBGCMIPQSJ-UHFFFAOYSA-N 1 0 365.433 3.560 20 5 FHBDRO C[C@@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000430659817 932683499 /nfs/dbraw/zinc/68/34/99/932683499.db2.gz CATYOHAGYVHAFG-RDTXWAMCSA-N 1 0 371.412 3.517 20 5 FHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c2c(c1)COCO2 ZINC000055908754 932735801 /nfs/dbraw/zinc/73/58/01/932735801.db2.gz NJDLNQOQUOLPLY-GOSISDBHSA-N 1 0 372.396 3.808 20 5 FHBDRO CCCC[N@H+](CC)Cc1cccc(CNc2c([N+](=O)[O-])c(C)nn2C)c1 ZINC000471751322 932793399 /nfs/dbraw/zinc/79/33/99/932793399.db2.gz YTEMBYONHUMBCK-UHFFFAOYSA-N 1 0 359.474 3.871 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)cc1 ZINC000510484810 932899422 /nfs/dbraw/zinc/89/94/22/932899422.db2.gz YEJNGQZWNDFRMB-UHFFFAOYSA-N 1 0 366.396 3.520 20 5 FHBDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000471803359 932974468 /nfs/dbraw/zinc/97/44/68/932974468.db2.gz GUHWYHCHUYCQOV-JSGCOSHPSA-N 1 0 362.813 3.996 20 5 FHBDRO Cc1ccc2c(c1)nc(C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])n2C ZINC000187587391 933016636 /nfs/dbraw/zinc/01/66/36/933016636.db2.gz HRCMEAHOZWVFFA-HNNXBMFYSA-N 1 0 352.438 3.901 20 5 FHBDRO Cc1cccc(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000187608493 933021435 /nfs/dbraw/zinc/02/14/35/933021435.db2.gz GGSMXTKXULZSOL-IBGZPJMESA-N 1 0 367.449 3.544 20 5 FHBDRO C[S@](=O)c1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000610574716 933157902 /nfs/dbraw/zinc/15/79/02/933157902.db2.gz BAYJZFJIWZWGHU-SANMLTNESA-N 1 0 370.430 3.882 20 5 FHBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1C)[NH+](C)C ZINC000510545935 933209499 /nfs/dbraw/zinc/20/94/99/933209499.db2.gz MAEROZQQESJYLX-KXBFYZLASA-N 1 0 355.438 3.633 20 5 FHBDRO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000610582660 933334890 /nfs/dbraw/zinc/33/48/90/933334890.db2.gz ILRJHZUTSFKOMY-XWIAVFTESA-N 1 0 359.426 3.762 20 5 FHBDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000510641967 933347804 /nfs/dbraw/zinc/34/78/04/933347804.db2.gz XEBAXKOJOBGFSY-INIZCTEOSA-N 1 0 366.421 3.968 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430873066 933348866 /nfs/dbraw/zinc/34/88/66/933348866.db2.gz ORZWYJIJWJNHSH-UHFFFAOYSA-N 1 0 362.433 3.938 20 5 FHBDRO Cc1cc(NCc2cccnc2OC(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000891859145 933650943 /nfs/dbraw/zinc/65/09/43/933650943.db2.gz BJUXFOXUEJWKHH-UHFFFAOYSA-N 1 0 352.394 3.668 20 5 FHBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccsc1 ZINC000510891151 933964390 /nfs/dbraw/zinc/96/43/90/933964390.db2.gz BOOSKPCGGPAUSN-QGZVFWFLSA-N 1 0 361.467 3.778 20 5 FHBDRO CCOc1cc(C[N@@H+]2CCC[C@H](c3nncn3C(C)C)C2)ccc1[N+](=O)[O-] ZINC000276919208 933979575 /nfs/dbraw/zinc/97/95/75/933979575.db2.gz OWBQPBHXTPSPHZ-INIZCTEOSA-N 1 0 373.457 3.546 20 5 FHBDRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000458082859 934285344 /nfs/dbraw/zinc/28/53/44/934285344.db2.gz XEFYOGZXKDWEHP-WMLDXEAASA-N 1 0 374.441 3.631 20 5 FHBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1 ZINC000535706120 934303672 /nfs/dbraw/zinc/30/36/72/934303672.db2.gz UXYQAKGSHAEYFZ-UHFFFAOYSA-N 1 0 352.394 3.698 20 5 FHBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c(F)c1 ZINC000134812868 934338421 /nfs/dbraw/zinc/33/84/21/934338421.db2.gz JCYFSBAJHLSNBO-VQIMIIECSA-N 1 0 362.376 3.961 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@H]4COCC[C@H]43)cs2)c1 ZINC000535800473 934395706 /nfs/dbraw/zinc/39/57/06/934395706.db2.gz BNIDSJCXZLGQNH-WMLDXEAASA-N 1 0 359.451 3.719 20 5 FHBDRO C[C@@H](CCSc1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000610899976 934583707 /nfs/dbraw/zinc/58/37/07/934583707.db2.gz ABGGVKJEBXSKFI-INIZCTEOSA-N 1 0 372.494 3.683 20 5 FHBDRO CSc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)cc1[N+](=O)[O-] ZINC000458330341 934712675 /nfs/dbraw/zinc/71/26/75/934712675.db2.gz YPMXJBVGUBJXKS-UHFFFAOYSA-N 1 0 359.451 3.939 20 5 FHBDRO C[NH+](C)[C@H]1CCCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000277258740 934849771 /nfs/dbraw/zinc/84/97/71/934849771.db2.gz QTIJEUAWODPAFM-SFHVURJKSA-N 1 0 350.462 3.862 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCOc1ccc(Cl)cn1)C1CC1 ZINC000537959534 934858617 /nfs/dbraw/zinc/85/86/17/934858617.db2.gz LBNHLTWJNNRMGS-INIZCTEOSA-N 1 0 361.829 3.633 20 5 FHBDRO CC1(C)C[C@@H]([N@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccccc2)C(C)(C)O1 ZINC000538665374 934883625 /nfs/dbraw/zinc/88/36/25/934883625.db2.gz FYKGIIZLKXOZPL-GOSISDBHSA-N 1 0 372.469 3.640 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000539078234 935012696 /nfs/dbraw/zinc/01/26/96/935012696.db2.gz KZPJREOLWACDNX-MRXNPFEDSA-N 1 0 367.449 3.876 20 5 FHBDRO CCC(CC)C(=O)N1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000166063541 935092851 /nfs/dbraw/zinc/09/28/51/935092851.db2.gz KCPBAWFQPNCVIV-OAHLLOKOSA-N 1 0 361.486 3.981 20 5 FHBDRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000539229098 935098087 /nfs/dbraw/zinc/09/80/87/935098087.db2.gz CJMYPWCLTSJWED-AWEZNQCLSA-N 1 0 357.410 3.591 20 5 FHBDRO C[N@@H+]1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C2)C1 ZINC000582075256 935216092 /nfs/dbraw/zinc/21/60/92/935216092.db2.gz PDXRDTYNGMFPDE-FQEVSTJZSA-N 1 0 370.428 3.718 20 5 FHBDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000472161437 935247665 /nfs/dbraw/zinc/24/76/65/935247665.db2.gz VWZIZCGIEABNCV-WOMSROEHSA-N 1 0 360.385 3.943 20 5 FHBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(Nc3ccc(F)cc3)CC2)cc1 ZINC000507255960 945088183 /nfs/dbraw/zinc/08/81/83/945088183.db2.gz JGDUGRZVHLZKMO-UHFFFAOYSA-N 1 0 359.401 3.689 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437164707 945088930 /nfs/dbraw/zinc/08/89/30/945088930.db2.gz JUYBONZZLFKSID-GFCCVEGCSA-N 1 0 373.375 3.608 20 5 FHBDRO Cc1ccccc1Cc1nnc(CN(C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000511074182 935274996 /nfs/dbraw/zinc/27/49/96/935274996.db2.gz NTMDQHITEVDWBJ-UHFFFAOYSA-N 1 0 366.421 3.552 20 5 FHBDRO O=C(c1ccc2c[nH+]cn2c1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000551559629 935310001 /nfs/dbraw/zinc/31/00/01/935310001.db2.gz CATKRSPHBCNGHP-UHFFFAOYSA-N 1 0 350.378 3.832 20 5 FHBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000072121197 935321782 /nfs/dbraw/zinc/32/17/82/935321782.db2.gz WQERPHIJMIAYBY-GOSISDBHSA-N 1 0 356.426 3.799 20 5 FHBDRO CC[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1cccc([N+](=O)[O-])c1 ZINC000119996116 935426586 /nfs/dbraw/zinc/42/65/86/935426586.db2.gz NCZSNHDORIIZOO-YOEHRIQHSA-N 1 0 360.845 3.963 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCC[C@H](c4cccnc4)C3)nc2c1 ZINC000375707473 935731565 /nfs/dbraw/zinc/73/15/65/935731565.db2.gz MQSPVMKJRNRBJY-ZFWWWQNUSA-N 1 0 351.410 3.682 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)nc2c1 ZINC000375707472 935731725 /nfs/dbraw/zinc/73/17/25/935731725.db2.gz MQSPVMKJRNRBJY-UKRRQHHQSA-N 1 0 351.410 3.682 20 5 FHBDRO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2ccccc2C(F)(F)F)CC2CC2)n1 ZINC000511136765 935771275 /nfs/dbraw/zinc/77/12/75/935771275.db2.gz KMESSUCAEUXDBX-UHFFFAOYSA-N 1 0 368.359 3.722 20 5 FHBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000178606727 935845779 /nfs/dbraw/zinc/84/57/79/935845779.db2.gz ILVVKOKFXBYGGX-CQSZACIVSA-N 1 0 371.462 3.570 20 5 FHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000511790407 945131082 /nfs/dbraw/zinc/13/10/82/945131082.db2.gz YSMYZWZZOCUWTB-LJQANCHMSA-N 1 0 367.449 3.625 20 5 FHBDRO [NH3+]Cc1cccn1-c1ncc(C(F)(F)F)cc1-c1cccc([N+](=O)[O-])c1 ZINC001167590343 935874289 /nfs/dbraw/zinc/87/42/89/935874289.db2.gz XPWVOCBQAYBLSA-UHFFFAOYSA-N 1 0 362.311 3.925 20 5 FHBDRO Cc1noc(C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c2ccccc2)n1 ZINC000563419878 935882502 /nfs/dbraw/zinc/88/25/02/935882502.db2.gz ZVOQMGJWUZTKAS-QZTJIDSGSA-N 1 0 364.405 3.847 20 5 FHBDRO COc1ccc([C@@H]2CC[N@H+](Cc3cc(OC)c(OC)cc3[N+](=O)[O-])C2)cc1 ZINC000092783359 935896292 /nfs/dbraw/zinc/89/62/92/935896292.db2.gz HDLXTKXRKWEYSJ-OAHLLOKOSA-N 1 0 372.421 3.610 20 5 FHBDRO C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000178644381 936021614 /nfs/dbraw/zinc/02/16/14/936021614.db2.gz DYQMOZIWCSIXQB-LLVKDONJSA-N 1 0 355.316 3.782 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000277877002 936076541 /nfs/dbraw/zinc/07/65/41/936076541.db2.gz KQWGGBANCWTESM-AWEZNQCLSA-N 1 0 367.858 3.651 20 5 FHBDRO C[C@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178659195 936105372 /nfs/dbraw/zinc/10/53/72/936105372.db2.gz AKUVGXSGIWWDIK-INIZCTEOSA-N 1 0 368.481 3.980 20 5 FHBDRO CN(C)c1cc[nH+]c(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000612004966 936126710 /nfs/dbraw/zinc/12/67/10/936126710.db2.gz UUHKJXJAMMVBSR-UHFFFAOYSA-N 1 0 355.423 3.791 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000178690560 936207384 /nfs/dbraw/zinc/20/73/84/936207384.db2.gz RIVMUVJABRSDDA-GJZGRUSLSA-N 1 0 373.428 3.740 20 5 FHBDRO COc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000511798327 945157012 /nfs/dbraw/zinc/15/70/12/945157012.db2.gz SAPFUESCHKBZPN-CEXWTWQISA-N 1 0 368.433 3.608 20 5 FHBDRO O=[N+]([O-])c1cc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1Oc1ccc(F)cc1 ZINC000583500146 938281265 /nfs/dbraw/zinc/28/12/65/938281265.db2.gz OINBKAGCYVJBJM-CVEARBPZSA-N 1 0 371.412 3.568 20 5 FHBDRO COc1ccccc1[C@@H](CNc1ncccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000052474150 938322777 /nfs/dbraw/zinc/32/27/77/938322777.db2.gz NKPJUYNOQKZWPZ-QGZVFWFLSA-N 1 0 356.426 3.638 20 5 FHBDRO Cc1cccc(N2CCC([NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000128133263 938326219 /nfs/dbraw/zinc/32/62/19/938326219.db2.gz SHNQDPVSWMCUDU-MRXNPFEDSA-N 1 0 354.454 3.926 20 5 FHBDRO CCOCCO[C@H]1CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000157881184 938434922 /nfs/dbraw/zinc/43/49/22/938434922.db2.gz UOVIDJCFEUITQG-SFHVURJKSA-N 1 0 367.445 3.574 20 5 FHBDRO C[C@H](NC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000458771450 938553054 /nfs/dbraw/zinc/55/30/54/938553054.db2.gz MPSXXVAPPOSMPO-YZVOILCLSA-N 1 0 370.453 3.646 20 5 FHBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000536212299 938596083 /nfs/dbraw/zinc/59/60/83/938596083.db2.gz AXAOKQNFXNHZSH-UHFFFAOYSA-N 1 0 355.438 3.881 20 5 FHBDRO CC(C)(C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000584107975 938600732 /nfs/dbraw/zinc/60/07/32/938600732.db2.gz FYJXBAOUFCFDHO-UHFFFAOYSA-N 1 0 359.401 3.630 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000584143115 938616138 /nfs/dbraw/zinc/61/61/38/938616138.db2.gz KJRIEHRGCGKKCU-HNNXBMFYSA-N 1 0 370.453 3.799 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000584261959 938663866 /nfs/dbraw/zinc/66/38/66/938663866.db2.gz CUTAPPQUGMAOCY-GOSISDBHSA-N 1 0 374.416 3.721 20 5 FHBDRO CC[N@H+](Cc1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1)C(C)C ZINC000511816922 945197406 /nfs/dbraw/zinc/19/74/06/945197406.db2.gz KSQIFUQUEJXVHH-UHFFFAOYSA-N 1 0 355.438 3.755 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC(n2cc(Cl)cn2)CC1 ZINC000506016711 945202472 /nfs/dbraw/zinc/20/24/72/945202472.db2.gz FTSWNQVROSGDPB-UHFFFAOYSA-N 1 0 355.225 3.935 20 5 FHBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000074772975 945203394 /nfs/dbraw/zinc/20/33/94/945203394.db2.gz YVFUTDOCQOMTJH-ZDUSSCGKSA-N 1 0 368.275 3.525 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CO)c2ccc(CC)cc2)cc1[N+](=O)[O-] ZINC000090844075 938883478 /nfs/dbraw/zinc/88/34/78/938883478.db2.gz CFBZYBVDHUPVJX-KSSFIOAISA-N 1 0 358.438 3.940 20 5 FHBDRO CCC[N@H+](CC)Cc1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000511820966 945214834 /nfs/dbraw/zinc/21/48/34/945214834.db2.gz HVFKNPUQQWQBNA-UHFFFAOYSA-N 1 0 355.438 3.757 20 5 FHBDRO COc1ccc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cc1O ZINC000179139264 938978986 /nfs/dbraw/zinc/97/89/86/938978986.db2.gz HDQMCOVSOWFUGU-RDJZCZTQSA-N 1 0 356.422 3.810 20 5 FHBDRO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511294228 938991784 /nfs/dbraw/zinc/99/17/84/938991784.db2.gz QNCNZNKKYUVMKH-KBPBESRZSA-N 1 0 371.437 3.724 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000611935122 938993066 /nfs/dbraw/zinc/99/30/66/938993066.db2.gz KQUUUTCEOSSHLG-FQEVSTJZSA-N 1 0 369.465 3.920 20 5 FHBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]([C@@H]3CCc4ccc(Cl)cc43)C2)nc1 ZINC000544071895 938994013 /nfs/dbraw/zinc/99/40/13/938994013.db2.gz YZXWJGKMJQALHY-WMLDXEAASA-N 1 0 358.829 3.817 20 5 FHBDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000472336992 938995386 /nfs/dbraw/zinc/99/53/86/938995386.db2.gz GPBZOEUJODAIBE-SJLPKXTDSA-N 1 0 367.449 3.511 20 5 FHBDRO C[C@@H]1c2c(F)cccc2CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548844610 938998391 /nfs/dbraw/zinc/99/83/91/938998391.db2.gz PHGPKSGAVSGSCN-CYBMUJFWSA-N 1 0 357.385 3.682 20 5 FHBDRO O=[N+]([O-])c1ncccc1N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000612101926 939050670 /nfs/dbraw/zinc/05/06/70/939050670.db2.gz YRCYXRUGRZHCDR-FGTMMUONSA-N 1 0 352.438 3.702 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000139964594 945224418 /nfs/dbraw/zinc/22/44/18/945224418.db2.gz UMNZEPYBGHVBDY-OAHLLOKOSA-N 1 0 373.478 3.607 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000518254481 945256661 /nfs/dbraw/zinc/25/66/61/945256661.db2.gz VHAKFGJGGNOMEX-MRXNPFEDSA-N 1 0 369.465 3.770 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000179527297 939881894 /nfs/dbraw/zinc/88/18/94/939881894.db2.gz LFBWMYGSYUTEJF-HNNXBMFYSA-N 1 0 371.437 3.980 20 5 FHBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1C(F)(F)F)C[C@@H]1CCc2nccn2C1 ZINC000364669903 939984739 /nfs/dbraw/zinc/98/47/39/939984739.db2.gz FRRWQOWFNBLOLQ-LBPRGKRZSA-N 1 0 368.359 3.505 20 5 FHBDRO Cc1ncc(CN2CC[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3C)[C@@H](C)C2)s1 ZINC000364900090 940019133 /nfs/dbraw/zinc/01/91/33/940019133.db2.gz YHRKLDIWRIRFRA-UGSOOPFHSA-N 1 0 374.510 3.668 20 5 FHBDRO CCC[N@H+](C[C@@H]1CCCCO1)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000411371161 940032946 /nfs/dbraw/zinc/03/29/46/940032946.db2.gz WUVHWDXLQGNFBQ-PBHICJAKSA-N 1 0 374.441 3.987 20 5 FHBDRO Cc1ccc2ncc(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc2c1 ZINC000411375495 940033371 /nfs/dbraw/zinc/03/33/71/940033371.db2.gz QESHCFIEIUHNHM-KRWDZBQOSA-N 1 0 363.421 3.533 20 5 FHBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177240920 940042533 /nfs/dbraw/zinc/04/25/33/940042533.db2.gz OSBXNLVTWCAPNW-DHZHZOJOSA-N 1 0 357.454 3.521 20 5 FHBDRO CCOc1ccccc1NC(=O)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000411476731 940047556 /nfs/dbraw/zinc/04/75/56/940047556.db2.gz QDIPYZHBJXJHKC-OAHLLOKOSA-N 1 0 371.437 3.981 20 5 FHBDRO COc1cccc(NC(=O)CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000411480983 940047944 /nfs/dbraw/zinc/04/79/44/940047944.db2.gz YWGWSGWXRYSZBN-CQSZACIVSA-N 1 0 357.410 3.591 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000411480699 940048038 /nfs/dbraw/zinc/04/80/38/940048038.db2.gz YEIAXRSEENAVPC-GFCCVEGCSA-N 1 0 363.364 3.861 20 5 FHBDRO C[C@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000511349014 940049712 /nfs/dbraw/zinc/04/97/12/940049712.db2.gz BKYPCOVYRTYDGP-HNNXBMFYSA-N 1 0 365.433 3.888 20 5 FHBDRO CCOc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000411772031 940115782 /nfs/dbraw/zinc/11/57/82/940115782.db2.gz PPHGFSUEULMGJV-AWEZNQCLSA-N 1 0 357.410 3.673 20 5 FHBDRO CC(C)[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000236686610 940146378 /nfs/dbraw/zinc/14/63/78/940146378.db2.gz GBTPPYFIJCHUKK-SFHVURJKSA-N 1 0 359.495 3.829 20 5 FHBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000411889789 940154857 /nfs/dbraw/zinc/15/48/57/940154857.db2.gz VJCRBPIHOQMFNS-INIZCTEOSA-N 1 0 357.410 3.673 20 5 FHBDRO CC(C)Oc1cc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000411978107 940170418 /nfs/dbraw/zinc/17/04/18/940170418.db2.gz GTLSGEGWNOWADJ-UHFFFAOYSA-N 1 0 371.437 3.738 20 5 FHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000570290945 940237053 /nfs/dbraw/zinc/23/70/53/940237053.db2.gz AHUVPLUQDNBENM-HNNXBMFYSA-N 1 0 351.328 3.828 20 5 FHBDRO CC[C@H]([NH2+]Cc1ccc(C(=O)OC)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000181687905 945315692 /nfs/dbraw/zinc/31/56/92/945315692.db2.gz WEOKSGQKAHGHCP-KRWDZBQOSA-N 1 0 358.394 3.631 20 5 FHBDRO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000124665649 945317657 /nfs/dbraw/zinc/31/76/57/945317657.db2.gz XAZFNJJOMKWCLW-QYZOEREBSA-N 1 0 373.497 3.589 20 5 FHBDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000580602027 940482179 /nfs/dbraw/zinc/48/21/79/940482179.db2.gz ZMPHSBQYXSGUAR-ZBFHGGJFSA-N 1 0 371.412 3.941 20 5 FHBDRO Cn1ncc2ccc(C[NH2+][C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)cc21 ZINC000580807918 940488204 /nfs/dbraw/zinc/48/82/04/940488204.db2.gz DYRLBMKBDOCAJN-SFHVURJKSA-N 1 0 350.422 3.994 20 5 FHBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC[NH2+]1 ZINC000580900374 940488284 /nfs/dbraw/zinc/48/82/84/940488284.db2.gz SSSALNXCCIGSNT-UKRRQHHQSA-N 1 0 371.462 3.616 20 5 FHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(NC(=O)c2cccs2)CC1 ZINC000066471314 940498208 /nfs/dbraw/zinc/49/82/08/940498208.db2.gz BDRARYJUICXLNQ-ZDUSSCGKSA-N 1 0 359.451 3.612 20 5 FHBDRO O=C(CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000180157478 940719603 /nfs/dbraw/zinc/71/96/03/940719603.db2.gz NTWLZFIMQIFBDQ-NRFANRHFSA-N 1 0 367.449 3.676 20 5 FHBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000452008152 940720589 /nfs/dbraw/zinc/72/05/89/940720589.db2.gz SFTZCTDCUDZEJF-BMGDILEWSA-N 1 0 354.406 3.544 20 5 FHBDRO CCC[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)(C)C ZINC000414196155 940745296 /nfs/dbraw/zinc/74/52/96/940745296.db2.gz WWKRDPZDZOTPCF-WBMJQRKESA-N 1 0 351.447 3.735 20 5 FHBDRO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000414201502 940754607 /nfs/dbraw/zinc/75/46/07/940754607.db2.gz SOEFKQHGDBPMAK-QXAKKESOSA-N 1 0 354.454 3.834 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCC1CCCCC1 ZINC000507591562 945346446 /nfs/dbraw/zinc/34/64/46/945346446.db2.gz SEIYNACBFWBUEW-UHFFFAOYSA-N 1 0 363.458 3.834 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)C1CC1 ZINC000414230281 940802490 /nfs/dbraw/zinc/80/24/90/940802490.db2.gz AYIDKFJKAZGXBR-CYBMUJFWSA-N 1 0 366.343 3.515 20 5 FHBDRO CC[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000414261943 940856722 /nfs/dbraw/zinc/85/67/22/940856722.db2.gz ZPLPDHISOWPBQM-KFKAGJAMSA-N 1 0 358.442 3.630 20 5 FHBDRO COc1c(O)ccc(C[NH2+][C@@H](C)c2cccc(OC(C)C)c2)c1[N+](=O)[O-] ZINC000892587881 940864066 /nfs/dbraw/zinc/86/40/66/940864066.db2.gz CIYMJVLSDYRJHT-ZDUSSCGKSA-N 1 0 360.410 3.947 20 5 FHBDRO CCN(C(=O)c1cc([N+](=O)[O-])ccc1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186302219 940971962 /nfs/dbraw/zinc/97/19/62/940971962.db2.gz XDBIGIYKYNIBPQ-IBGZPJMESA-N 1 0 367.449 3.640 20 5 FHBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000180399751 940998971 /nfs/dbraw/zinc/99/89/71/940998971.db2.gz HLLLTTGMNNFXIE-SNVBAGLBSA-N 1 0 351.765 3.677 20 5 FHBDRO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180403714 941005504 /nfs/dbraw/zinc/00/55/04/941005504.db2.gz QUPGMCYNJOVHPQ-UONOGXRCSA-N 1 0 359.401 3.604 20 5 FHBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC)cc1 ZINC000180420825 941009799 /nfs/dbraw/zinc/00/97/99/941009799.db2.gz PHCXZGTWEKFBDH-ACJLOTCBSA-N 1 0 357.410 3.671 20 5 FHBDRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000180450832 941018160 /nfs/dbraw/zinc/01/81/60/941018160.db2.gz HJXCAQGZDUPEGA-QWHCGFSZSA-N 1 0 361.829 3.776 20 5 FHBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000180823872 941081847 /nfs/dbraw/zinc/08/18/47/941081847.db2.gz BINYBPADMCFHGK-HNNXBMFYSA-N 1 0 373.478 3.624 20 5 FHBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000103117373 941144315 /nfs/dbraw/zinc/14/43/15/941144315.db2.gz ZSFTUBGSBWZKKR-UHFFFAOYSA-N 1 0 369.421 3.555 20 5 FHBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000181388837 941148628 /nfs/dbraw/zinc/14/86/28/941148628.db2.gz GSBIYDBGQMBLFU-BDJLRTHQSA-N 1 0 365.227 3.742 20 5 FHBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000311251174 941151599 /nfs/dbraw/zinc/15/15/99/941151599.db2.gz JHNCHAYJEGTPDL-MRXNPFEDSA-N 1 0 373.840 3.643 20 5 FHBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000189510777 941159563 /nfs/dbraw/zinc/15/95/63/941159563.db2.gz VPMXWYZXDFEOCI-DLBZAZTESA-N 1 0 365.499 3.886 20 5 FHBDRO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000311308709 941223024 /nfs/dbraw/zinc/22/30/24/941223024.db2.gz WHWCVNMMPSGQOJ-GJZGRUSLSA-N 1 0 363.458 3.893 20 5 FHBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000311380906 941262738 /nfs/dbraw/zinc/26/27/38/941262738.db2.gz KCVNKSUTJMWGGU-INIZCTEOSA-N 1 0 363.458 3.720 20 5 FHBDRO Cc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2CC[NH2+]C[C@@H]2C)c1Br ZINC001218414645 941341051 /nfs/dbraw/zinc/34/10/51/941341051.db2.gz LZGLIMIHIQGWLN-WRWORJQWSA-N 1 0 363.639 3.696 20 5 FHBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000472639105 941362860 /nfs/dbraw/zinc/36/28/60/941362860.db2.gz SDLOGXUTJAGTOO-SZMVWBNQSA-N 1 0 367.449 3.923 20 5 FHBDRO C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCC[NH2+]C1 ZINC000414858879 941488225 /nfs/dbraw/zinc/48/82/25/941488225.db2.gz STMNGVRROZDEOL-CHWSQXEVSA-N 1 0 363.845 3.986 20 5 FHBDRO CC[NH2+]Cc1cccc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000414862642 941490383 /nfs/dbraw/zinc/49/03/83/941490383.db2.gz HXMNSGOQSKNWGB-UHFFFAOYSA-N 1 0 365.437 3.717 20 5 FHBDRO CC1(C)C[NH2+]CC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414977366 941531187 /nfs/dbraw/zinc/53/11/87/941531187.db2.gz RIZPBLTXOQGJRY-QGZVFWFLSA-N 1 0 363.845 3.986 20 5 FHBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000181537964 941538755 /nfs/dbraw/zinc/53/87/55/941538755.db2.gz SMEDBFLIQFHWHV-KBPBESRZSA-N 1 0 352.394 3.927 20 5 FHBDRO NC(=O)c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c([N+](=O)[O-])c1 ZINC000549156235 941549827 /nfs/dbraw/zinc/54/98/27/941549827.db2.gz APBWMVRPJPCVOG-REPLKXPHSA-N 1 0 365.433 3.604 20 5 FHBDRO CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549172638 941584202 /nfs/dbraw/zinc/58/42/02/941584202.db2.gz NFTZJDWBOGROOH-FQEVSTJZSA-N 1 0 369.465 3.679 20 5 FHBDRO C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)[C@@H](C)C[NH2+]1 ZINC000415183908 941658050 /nfs/dbraw/zinc/65/80/50/941658050.db2.gz CQDWNKQUSCWMPQ-KGLIPLIRSA-N 1 0 370.409 3.601 20 5 FHBDRO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415187330 941659817 /nfs/dbraw/zinc/65/98/17/941659817.db2.gz DSBZEVZJNVHNBI-AWEZNQCLSA-N 1 0 370.409 3.508 20 5 FHBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000415192779 941662066 /nfs/dbraw/zinc/66/20/66/941662066.db2.gz KVNPFKZDZYRCCQ-DZGCQCFKSA-N 1 0 370.409 3.636 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000472761586 941695411 /nfs/dbraw/zinc/69/54/11/941695411.db2.gz GBLUUWCLRDEDRD-INIZCTEOSA-N 1 0 370.453 3.935 20 5 FHBDRO COc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccc1OC(F)F ZINC000237113616 941752700 /nfs/dbraw/zinc/75/27/00/941752700.db2.gz JZSRPHBLJUAIAT-UHFFFAOYSA-N 1 0 352.337 3.803 20 5 FHBDRO C[N@@H+](Cc1cc(=O)oc2ccc3ccccc3c12)C[C@H]1CCn2ccnc2C1 ZINC000377651079 941865748 /nfs/dbraw/zinc/86/57/48/941865748.db2.gz MZNKVOZXMYXZGQ-INIZCTEOSA-N 1 0 373.456 3.837 20 5 FHBDRO COc1ccccc1O[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000513392649 941888596 /nfs/dbraw/zinc/88/85/96/941888596.db2.gz VLELKPSRABAXHO-GOSISDBHSA-N 1 0 356.422 3.689 20 5 FHBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000415583112 941926330 /nfs/dbraw/zinc/92/63/30/941926330.db2.gz QGRFQBDMISNTCC-MRXNPFEDSA-N 1 0 356.426 3.596 20 5 FHBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1[N+](=O)[O-] ZINC000513493858 941962623 /nfs/dbraw/zinc/96/26/23/941962623.db2.gz DAFOEQGIQMWSJC-SAABIXHNSA-N 1 0 355.438 3.756 20 5 FHBDRO C[N@H+](CCc1cccc2ccccc21)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000101556366 941986513 /nfs/dbraw/zinc/98/65/13/941986513.db2.gz MVLLOXZFEQHPEI-UHFFFAOYSA-N 1 0 363.417 3.521 20 5 FHBDRO CC(C)(C)c1ccc(NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000415703771 942009192 /nfs/dbraw/zinc/00/91/92/942009192.db2.gz RJUCESKOIBAUON-HNNXBMFYSA-N 1 0 374.485 3.746 20 5 FHBDRO Cc1ccc([C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2C)[NH+]2CCCC2)o1 ZINC000101738523 942011877 /nfs/dbraw/zinc/01/18/77/942011877.db2.gz KZMLCWUBNOGVHH-QGZVFWFLSA-N 1 0 372.425 3.763 20 5 FHBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000517567536 942013013 /nfs/dbraw/zinc/01/30/13/942013013.db2.gz KGOPKXLAUIWKDR-OLZOCXBDSA-N 1 0 358.398 3.634 20 5 FHBDRO CC(C)Oc1cc(C(=O)Nc2ccccc2CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000412274269 942022194 /nfs/dbraw/zinc/02/21/94/942022194.db2.gz IHMDHFUHDHRYGB-UHFFFAOYSA-N 1 0 371.437 3.738 20 5 FHBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000500983576 942081831 /nfs/dbraw/zinc/08/18/31/942081831.db2.gz KQZWVBHZGQRTTN-UHFFFAOYSA-N 1 0 353.422 3.717 20 5 FHBDRO COc1cc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000468636725 942101572 /nfs/dbraw/zinc/10/15/72/942101572.db2.gz DJINIKNMZQTOOX-ZSOIEALJSA-N 1 0 372.421 3.814 20 5 FHBDRO CC[NH2+]Cc1ccccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000415931227 942156858 /nfs/dbraw/zinc/15/68/58/942156858.db2.gz LQZPBIJZYYYFHF-UHFFFAOYSA-N 1 0 368.437 3.901 20 5 FHBDRO C[NH2+]Cc1cccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000415946502 942181062 /nfs/dbraw/zinc/18/10/62/942181062.db2.gz TZSZDEWMTZQLHM-UHFFFAOYSA-N 1 0 354.410 3.511 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103092955 942201061 /nfs/dbraw/zinc/20/10/61/942201061.db2.gz SKSWEGIJBAAJFL-QGZVFWFLSA-N 1 0 359.470 3.631 20 5 FHBDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C ZINC000103145442 942224160 /nfs/dbraw/zinc/22/41/60/942224160.db2.gz BGQBOVBZXNGRGL-UHFFFAOYSA-N 1 0 371.437 3.681 20 5 FHBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[NH+](CCc4cccs4)CC3)c2c1 ZINC000413073167 942259841 /nfs/dbraw/zinc/25/98/41/942259841.db2.gz OFFRAMBISSZVGI-UHFFFAOYSA-N 1 0 368.462 3.569 20 5 FHBDRO COc1ccccc1C(C)(C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000103484084 942268344 /nfs/dbraw/zinc/26/83/44/942268344.db2.gz ZORXUBYMRWOFLF-UHFFFAOYSA-N 1 0 371.437 3.765 20 5 FHBDRO CC[C@@H]1CN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](CC)O1 ZINC000420945816 942269731 /nfs/dbraw/zinc/26/97/31/942269731.db2.gz BGKVEKFHFNBFKU-WQVCFCJDSA-N 1 0 360.414 3.595 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@@H]([NH+]4CCCCC4)C3)o2)c1 ZINC000513733762 942286016 /nfs/dbraw/zinc/28/60/16/942286016.db2.gz VXTQGEWPCZTQQS-GOSISDBHSA-N 1 0 355.438 3.915 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](n3cccn3)C2)o1 ZINC000092967614 942286908 /nfs/dbraw/zinc/28/69/08/942286908.db2.gz HZHQVPURGKJKPT-HNNXBMFYSA-N 1 0 352.394 3.888 20 5 FHBDRO C[NH+]1CCC2(CCCN2C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000501103150 942308900 /nfs/dbraw/zinc/30/89/00/942308900.db2.gz AYLZBHDYGSKEQG-UHFFFAOYSA-N 1 0 374.485 3.984 20 5 FHBDRO CC1CC[NH+](C2CCC(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)CC1 ZINC000502283835 942332302 /nfs/dbraw/zinc/33/23/02/942332302.db2.gz PXTKMEOSOANEFM-UHFFFAOYSA-N 1 0 363.433 3.507 20 5 FHBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000501240791 942357124 /nfs/dbraw/zinc/35/71/24/942357124.db2.gz BCPXDMFAPYPPQG-IBGZPJMESA-N 1 0 370.453 3.669 20 5 FHBDRO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000502337855 942368167 /nfs/dbraw/zinc/36/81/67/942368167.db2.gz YKQNKCBUJSBXMQ-CZUORRHYSA-N 1 0 364.396 3.833 20 5 FHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000502345146 942372156 /nfs/dbraw/zinc/37/21/56/942372156.db2.gz YCCBUDWVULYWGZ-OLZOCXBDSA-N 1 0 355.385 3.727 20 5 FHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000502345348 942373000 /nfs/dbraw/zinc/37/30/00/942373000.db2.gz YCCBUDWVULYWGZ-STQMWFEESA-N 1 0 355.385 3.727 20 5 FHBDRO Cc1c(NC(=O)[C@@H](C)N2CCC(c3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000378262234 942478415 /nfs/dbraw/zinc/47/84/15/942478415.db2.gz WCJYWQWXSADTBC-OAHLLOKOSA-N 1 0 368.437 3.505 20 5 FHBDRO CCCC[NH+](CCCC)CCNc1ccc(NC(C)=O)c([N+](=O)[O-])c1 ZINC001167733153 942480087 /nfs/dbraw/zinc/48/00/87/942480087.db2.gz OHZRSCRYVWWMEO-UHFFFAOYSA-N 1 0 350.463 3.867 20 5 FHBDRO COc1ccc(C[N@H+](C)CCOc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000501476253 942501716 /nfs/dbraw/zinc/50/17/16/942501716.db2.gz HSPKGUOITVXPTI-UHFFFAOYSA-N 1 0 350.802 3.768 20 5 FHBDRO O=C(NCCCCC[NH+]1CCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000458851960 942541271 /nfs/dbraw/zinc/54/12/71/942541271.db2.gz NHRCOFSYCTYTIZ-UHFFFAOYSA-N 1 0 374.485 3.535 20 5 FHBDRO Cc1c(CC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000120223628 942572722 /nfs/dbraw/zinc/57/27/22/942572722.db2.gz SFNJLFSYCVYGHB-INIZCTEOSA-N 1 0 369.465 3.691 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000104700331 942597205 /nfs/dbraw/zinc/59/72/05/942597205.db2.gz DQTYLGZEMUIQMX-FQEVSTJZSA-N 1 0 353.422 3.973 20 5 FHBDRO Cn1cc(Cl)cc1C[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000120239116 942606638 /nfs/dbraw/zinc/60/66/38/942606638.db2.gz NSZOZRRILSCXMZ-UHFFFAOYSA-N 1 0 374.828 3.916 20 5 FHBDRO COc1cc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000511542100 942620287 /nfs/dbraw/zinc/62/02/87/942620287.db2.gz NNVFEXMJJOCKOR-QGZVFWFLSA-N 1 0 374.412 3.958 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421680082 942755047 /nfs/dbraw/zinc/75/50/47/942755047.db2.gz PSVMRFIEMYNHEM-UHFFFAOYSA-N 1 0 365.499 3.700 20 5 FHBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421768659 942813832 /nfs/dbraw/zinc/81/38/32/942813832.db2.gz OYWAWRMDLGTAKX-UHFFFAOYSA-N 1 0 361.486 3.796 20 5 FHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC000367116326 942862962 /nfs/dbraw/zinc/86/29/62/942862962.db2.gz AWVLGFFWBVAQRI-INIZCTEOSA-N 1 0 354.454 3.647 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3CCCCN3C3CC3)o2)c1 ZINC000434788540 942967792 /nfs/dbraw/zinc/96/77/92/942967792.db2.gz VARQTFPKNVUHNA-GOSISDBHSA-N 1 0 355.438 3.961 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000434891421 943022365 /nfs/dbraw/zinc/02/23/65/943022365.db2.gz HRZYOCSGFYNSJP-YJBOKZPZSA-N 1 0 353.422 3.720 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2c(F)ccc(Br)c2F)cc1 ZINC000389036586 943057214 /nfs/dbraw/zinc/05/72/14/943057214.db2.gz YODSPNHSVFWEPB-UHFFFAOYSA-N 1 0 371.181 3.968 20 5 FHBDRO Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513784864 943115137 /nfs/dbraw/zinc/11/51/37/943115137.db2.gz ARVJRLMBXGGOPD-JLSDUUJJSA-N 1 0 354.454 3.707 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000236850506 943118062 /nfs/dbraw/zinc/11/80/62/943118062.db2.gz QACKTULCPDNPOR-SFHVURJKSA-N 1 0 373.453 3.822 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](Oc4ccncc4)C3)o2)cc1 ZINC000435057977 943130252 /nfs/dbraw/zinc/13/02/52/943130252.db2.gz RDJDPTAOMNFNIH-LJQANCHMSA-N 1 0 365.389 3.903 20 5 FHBDRO O=C(CC[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000584585787 943246378 /nfs/dbraw/zinc/24/63/78/943246378.db2.gz XAWVCZOQZRZPMF-STQMWFEESA-N 1 0 373.375 3.882 20 5 FHBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000422795587 943286663 /nfs/dbraw/zinc/28/66/63/943286663.db2.gz HTBFUDRPNHZGNH-OAHLLOKOSA-N 1 0 361.829 3.801 20 5 FHBDRO CC[NH2+]CC1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000435374826 943355814 /nfs/dbraw/zinc/35/58/14/943355814.db2.gz YSSOIMIUDABAOA-UHFFFAOYSA-N 1 0 360.483 3.540 20 5 FHBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000417140085 943367537 /nfs/dbraw/zinc/36/75/37/943367537.db2.gz PHEFYBFZJPNJSO-LIRRHRJNSA-N 1 0 370.453 3.778 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C/CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435394697 943379758 /nfs/dbraw/zinc/37/97/58/943379758.db2.gz OTYDAOPLHBODKZ-IEJURRBGSA-N 1 0 366.465 3.647 20 5 FHBDRO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423088496 943389275 /nfs/dbraw/zinc/38/92/75/943389275.db2.gz QHXRLURRPDOJCC-SJCJKPOMSA-N 1 0 367.371 3.662 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1CN(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435439535 943417140 /nfs/dbraw/zinc/41/71/40/943417140.db2.gz SYGWFWNMTHLFGE-KRWDZBQOSA-N 1 0 372.494 3.504 20 5 FHBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000423324694 943480105 /nfs/dbraw/zinc/48/01/05/943480105.db2.gz IEXGCJONKAISPI-XPGWFJOJSA-N 1 0 369.465 3.708 20 5 FHBDRO C[C@H](N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000423375646 943504081 /nfs/dbraw/zinc/50/40/81/943504081.db2.gz UNODGWHBYCSROQ-XGINMYPSSA-N 1 0 361.392 3.669 20 5 FHBDRO Cn1cc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c(C(F)(F)F)n1 ZINC000417313512 943508406 /nfs/dbraw/zinc/50/84/06/943508406.db2.gz WIARAJXXARJYJV-HNNXBMFYSA-N 1 0 368.359 3.904 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)CCCC2 ZINC000417322080 943514893 /nfs/dbraw/zinc/51/48/93/943514893.db2.gz MNKBKYBBTJDHLY-GUYCJALGSA-N 1 0 371.403 3.836 20 5 FHBDRO COc1ccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c(OC)n1 ZINC000417324349 943515900 /nfs/dbraw/zinc/51/59/00/943515900.db2.gz AEFCMWAMTFPVJO-QGZVFWFLSA-N 1 0 357.410 3.564 20 5 FHBDRO CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417326089 943517943 /nfs/dbraw/zinc/51/79/43/943517943.db2.gz QXJWHVNURFHJFZ-HXUWFJFHSA-N 1 0 367.449 3.854 20 5 FHBDRO COc1cccc([C@H]2[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)CCN2C2CC2)c1 ZINC000549476717 943812980 /nfs/dbraw/zinc/81/29/80/943812980.db2.gz HBGSBJBLAVKBIA-RTWAWAEBSA-N 1 0 367.449 3.671 20 5 FHBDRO CCC[NH+]1CCC(N(C)Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425411274 943827289 /nfs/dbraw/zinc/82/72/89/943827289.db2.gz ADDVUERYQKZFRI-UHFFFAOYSA-N 1 0 370.291 3.664 20 5 FHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424319102 943842233 /nfs/dbraw/zinc/84/22/33/943842233.db2.gz DPSIYWTZXQGTBS-OMWUSAIZSA-N 1 0 357.385 3.539 20 5 FHBDRO Cc1c([C@H](C)[NH2+]CCNC(=O)CCCc2ccccc2)cccc1[N+](=O)[O-] ZINC000424327167 943845928 /nfs/dbraw/zinc/84/59/28/943845928.db2.gz OEBKJBVHBHWCOH-KRWDZBQOSA-N 1 0 369.465 3.693 20 5 FHBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000516947227 943853748 /nfs/dbraw/zinc/85/37/48/943853748.db2.gz KBLSBCYDYWZASV-JKSUJKDBSA-N 1 0 369.465 3.944 20 5 FHBDRO [NH3+]C1(c2noc(-c3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)CCCCC1 ZINC000424338581 943869709 /nfs/dbraw/zinc/86/97/09/943869709.db2.gz ASGGXBXOGRFEBA-UHFFFAOYSA-N 1 0 356.304 3.782 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CCO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000504917920 943898164 /nfs/dbraw/zinc/89/81/64/943898164.db2.gz DFNIBRYHZVMZKT-PBHICJAKSA-N 1 0 350.459 3.975 20 5 FHBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417858505 943912213 /nfs/dbraw/zinc/91/22/13/943912213.db2.gz VCOVPOIMZRKZSC-RDTXWAMCSA-N 1 0 370.453 3.526 20 5 FHBDRO CCCCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001167960081 943935979 /nfs/dbraw/zinc/93/59/79/943935979.db2.gz RXWDNEDQBXIXKS-KZNAEPCWSA-N 1 0 350.459 3.544 20 5 FHBDRO CCOc1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1OC(F)F ZINC000105448320 943952705 /nfs/dbraw/zinc/95/27/05/943952705.db2.gz FLSXMTZDTKIIOR-UHFFFAOYSA-N 1 0 366.364 3.927 20 5 FHBDRO Cc1nccn1C[C@@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000105442837 943953867 /nfs/dbraw/zinc/95/38/67/943953867.db2.gz UPCFJNLRUQXEFQ-AWEZNQCLSA-N 1 0 354.410 3.786 20 5 FHBDRO Cn1ncc2ccc(C[NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)cc21 ZINC000517064699 943963713 /nfs/dbraw/zinc/96/37/13/943963713.db2.gz RUZBFZKZRQCUEM-SFHVURJKSA-N 1 0 350.422 3.592 20 5 FHBDRO COc1cccc(C[C@@H]2CCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000515552707 943988386 /nfs/dbraw/zinc/98/83/86/943988386.db2.gz WIHXDDNYWDGVAW-KRWDZBQOSA-N 1 0 356.422 3.689 20 5 FHBDRO O=C(CC[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500078225 944065556 /nfs/dbraw/zinc/06/55/56/944065556.db2.gz XQMSBRJAMABKJK-OAHLLOKOSA-N 1 0 357.385 3.552 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNCCC[NH2+]Cc2cccnc2)o1 ZINC000414880147 944086662 /nfs/dbraw/zinc/08/66/62/944086662.db2.gz QEQWMJXXZYHJND-UHFFFAOYSA-N 1 0 366.421 3.519 20 5 FHBDRO COc1cc2c(cc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-])O[C@@H](C)C2 ZINC000517202980 944100086 /nfs/dbraw/zinc/10/00/86/944100086.db2.gz HDSIGOOGELNIPN-AWEZNQCLSA-N 1 0 356.422 3.601 20 5 FHBDRO Cc1cc(Sc2nnc(C3CC[NH2+]CC3)n2C(C)C)ccc1[N+](=O)[O-] ZINC000092655586 944111564 /nfs/dbraw/zinc/11/15/64/944111564.db2.gz VYKNGNBXXHMLFA-UHFFFAOYSA-N 1 0 361.471 3.694 20 5 FHBDRO CC1(C)[C@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000425493512 944112105 /nfs/dbraw/zinc/11/21/05/944112105.db2.gz OYGUHUDHCGULEB-NWANDNLSSA-N 1 0 369.259 3.651 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000505786569 944171756 /nfs/dbraw/zinc/17/17/56/944171756.db2.gz CBDJXEPUHMOBMF-CQSZACIVSA-N 1 0 365.499 3.559 20 5 FHBDRO CSc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000436315105 944193721 /nfs/dbraw/zinc/19/37/21/944193721.db2.gz OVZURVJMHPENGQ-SJORKVTESA-N 1 0 360.483 3.829 20 5 FHBDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000500182104 944223477 /nfs/dbraw/zinc/22/34/77/944223477.db2.gz QMIMHPHMVDCGTK-SFHVURJKSA-N 1 0 367.449 3.857 20 5 FHBDRO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000437878847 944246450 /nfs/dbraw/zinc/24/64/50/944246450.db2.gz VMFPYDCAGGHODU-IBGZPJMESA-N 1 0 373.497 3.786 20 5 FHBDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1(C)C ZINC000436390401 944259105 /nfs/dbraw/zinc/25/91/05/944259105.db2.gz OZEMNVZCGWTYTO-QUCCMNQESA-N 1 0 374.437 3.511 20 5 FHBDRO C[N@H+](CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000436398254 944274114 /nfs/dbraw/zinc/27/41/14/944274114.db2.gz DBOCNORMQWSDOW-UHFFFAOYSA-N 1 0 372.322 3.692 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000506474870 944288793 /nfs/dbraw/zinc/28/87/93/944288793.db2.gz QFVABSOISYKOPI-ROUUACIJSA-N 1 0 361.486 3.560 20 5 FHBDRO CCCC[N@H+](C)CC1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000184248004 944336656 /nfs/dbraw/zinc/33/66/56/944336656.db2.gz NXHQSEUQDZCBAG-UHFFFAOYSA-N 1 0 367.465 3.686 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1nc2cc([N+](=O)[O-])ccc2nc1Cl ZINC001167752443 944363706 /nfs/dbraw/zinc/36/37/06/944363706.db2.gz VXLXZHUWEPFSKY-GFCCVEGCSA-N 1 0 363.849 3.868 20 5 FHBDRO C[C@H](CO)C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000123469882 944364647 /nfs/dbraw/zinc/36/46/47/944364647.db2.gz ZSXDLCUQEQXWET-LBPRGKRZSA-N 1 0 350.802 3.759 20 5 FHBDRO CC(C)c1ccc(C[NH2+][C@@H](Cc2ccccc2)CN(C)C)cc1[N+](=O)[O-] ZINC000517536428 944381978 /nfs/dbraw/zinc/38/19/78/944381978.db2.gz HMLYXHJEWDDZDL-IBGZPJMESA-N 1 0 355.482 3.981 20 5 FHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cc(-c3ccccc3)on2)n1 ZINC000425955366 944391060 /nfs/dbraw/zinc/39/10/60/944391060.db2.gz ZDOUIHXMCCBVAH-SJORKVTESA-N 1 0 367.409 3.720 20 5 FHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000426294852 944399488 /nfs/dbraw/zinc/39/94/88/944399488.db2.gz SIKLYZDBGQSZPJ-HNNXBMFYSA-N 1 0 365.433 3.558 20 5 FHBDRO COc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c2ccccc12 ZINC000425958356 944402230 /nfs/dbraw/zinc/40/22/30/944402230.db2.gz MUZLQTVHDUAJLP-UHFFFAOYSA-N 1 0 366.421 3.790 20 5 FHBDRO Cn1ncc2ccc(C[NH2+][C@@H]3CCC[C@H]3Cc3ccccc3[N+](=O)[O-])cc21 ZINC000517640182 944460839 /nfs/dbraw/zinc/46/08/39/944460839.db2.gz RGHWRPBEZSFZMC-QFBILLFUSA-N 1 0 364.449 3.983 20 5 FHBDRO CC(C)C[C@H]([NH3+])c1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000516063147 944463730 /nfs/dbraw/zinc/46/37/30/944463730.db2.gz NNJBCCRWAINFQH-LBPRGKRZSA-N 1 0 359.411 3.814 20 5 FHBDRO Cc1cc(NC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000473785427 944480141 /nfs/dbraw/zinc/48/01/41/944480141.db2.gz IIEHKJHXOJOZRK-OAHLLOKOSA-N 1 0 356.426 3.545 20 5 FHBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C(C)C ZINC000110420423 944482866 /nfs/dbraw/zinc/48/28/66/944482866.db2.gz AHMSGCHWWQQVRA-UHFFFAOYSA-N 1 0 371.437 3.847 20 5 FHBDRO Cc1cc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000473787769 944485384 /nfs/dbraw/zinc/48/53/84/944485384.db2.gz POFWPCWZSJMEJY-SFHVURJKSA-N 1 0 368.437 3.641 20 5 FHBDRO COc1ccc2cc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)ccc2c1 ZINC000425983401 944502617 /nfs/dbraw/zinc/50/26/17/944502617.db2.gz VCMLKSGFMAMQMQ-UHFFFAOYSA-N 1 0 366.421 3.790 20 5 FHBDRO C[NH+](C)CCCOc1cccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000517708963 944514928 /nfs/dbraw/zinc/51/49/28/944514928.db2.gz HVHXGUXHDSNCHL-UHFFFAOYSA-N 1 0 358.398 3.569 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+](CCO)Cc2cccc(F)c2)o1 ZINC000426372579 944578184 /nfs/dbraw/zinc/57/81/84/944578184.db2.gz OPNLHPAGMJJCMR-UHFFFAOYSA-N 1 0 370.380 3.988 20 5 FHBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H](C)C1 ZINC000516190647 944579448 /nfs/dbraw/zinc/57/94/48/944579448.db2.gz BZIKNDVROHFMCM-XNJGSVPQSA-N 1 0 371.403 3.776 20 5 FHBDRO CC[NH+](CC)CC1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000439471037 944651081 /nfs/dbraw/zinc/65/10/81/944651081.db2.gz QJPNBNSYSWCAMD-UHFFFAOYSA-N 1 0 361.486 3.912 20 5 FHBDRO Cc1ccc(-c2nc(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])cs2)cc1 ZINC000518746079 944704291 /nfs/dbraw/zinc/70/42/91/944704291.db2.gz HQXFGKHOKJIYJE-UHFFFAOYSA-N 1 0 368.462 3.992 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)c3c(F)cccc3F)o2)cc1 ZINC000123974495 944795274 /nfs/dbraw/zinc/79/52/74/944795274.db2.gz PHMMMEWAVXBHIL-KRWDZBQOSA-N 1 0 374.343 3.956 20 5 FHBDRO CC(C)(COCc1ccccc1)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000500415679 944838595 /nfs/dbraw/zinc/83/85/95/944838595.db2.gz LOMICEGAMAYDAZ-UHFFFAOYSA-N 1 0 372.421 3.546 20 5 FHBDRO CC(C)(C)[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000506994013 944845339 /nfs/dbraw/zinc/84/53/39/944845339.db2.gz CKLXHWOIICWFCA-PKOBYXMFSA-N 1 0 358.438 3.712 20 5 FHBDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000506306715 944865033 /nfs/dbraw/zinc/86/50/33/944865033.db2.gz BNWZRPSLUJGMPU-ZDUSSCGKSA-N 1 0 360.435 3.708 20 5 FHBDRO CCCNc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000516447968 944871696 /nfs/dbraw/zinc/87/16/96/944871696.db2.gz MIWBEAYYJMTTLF-ZWKOTPCHSA-N 1 0 357.458 3.887 20 5 FHBDRO COc1ccc(-c2ccc(C[N@H+](C)C[C@H]3CCCCO3)o2)c([N+](=O)[O-])c1 ZINC000511664844 944893173 /nfs/dbraw/zinc/89/31/73/944893173.db2.gz HQGJJOIKUZJPSA-OAHLLOKOSA-N 1 0 360.410 3.864 20 5 FHBDRO CN(c1ccccc1)c1ccc(C[N@H+](CCO)C2CCC2)cc1[N+](=O)[O-] ZINC000439769226 944972402 /nfs/dbraw/zinc/97/24/02/944972402.db2.gz UDCQYGRIHGVGRH-UHFFFAOYSA-N 1 0 355.438 3.710 20 5 FHBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000437848302 945023505 /nfs/dbraw/zinc/02/35/05/945023505.db2.gz WFGYJVPTXRLRFV-HNNXBMFYSA-N 1 0 365.861 3.775 20 5 FHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1Cc2ccccc2N(C)C1 ZINC000437107074 945028550 /nfs/dbraw/zinc/02/85/50/945028550.db2.gz JWSGFQYIGIEQKG-SJORKVTESA-N 1 0 353.466 3.814 20 5 FHBDRO C[C@@H]1C[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414954966 945034391 /nfs/dbraw/zinc/03/43/91/945034391.db2.gz TUHSYECXYFXAME-CZUORRHYSA-N 1 0 359.401 3.756 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000506703235 945039537 /nfs/dbraw/zinc/03/95/37/945039537.db2.gz RLEQKKSTTROSBH-OAHLLOKOSA-N 1 0 365.499 3.653 20 5 FHBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000511762756 945052533 /nfs/dbraw/zinc/05/25/33/945052533.db2.gz OITFDMSKMRHOTP-SZVBFZGTSA-N 1 0 356.397 3.738 20 5 FHBDRO COc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000511764168 945059564 /nfs/dbraw/zinc/05/95/64/945059564.db2.gz CTZRCGASKIFJDI-QRVBRYPASA-N 1 0 368.433 3.608 20 5 FHBDRO COc1cc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000507671368 945422277 /nfs/dbraw/zinc/42/22/77/945422277.db2.gz ZRSBEUNRXGFOHA-INIZCTEOSA-N 1 0 356.422 3.677 20 5 FHBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000427494902 945423716 /nfs/dbraw/zinc/42/37/16/945423716.db2.gz LWRKBVXCXLWIIX-UHFFFAOYSA-N 1 0 357.385 3.890 20 5 FHBDRO O=C(NCc1ccccc1C[NH+]1CCCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000018177330 945445386 /nfs/dbraw/zinc/44/53/86/945445386.db2.gz CDMFGIQMGXTUSP-UHFFFAOYSA-N 1 0 368.437 3.902 20 5 FHBDRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000018177296 945445436 /nfs/dbraw/zinc/44/54/36/945445436.db2.gz XHIAHDIGTLHRSC-UHFFFAOYSA-N 1 0 356.426 3.758 20 5 FHBDRO CC(C)([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000543499447 945497640 /nfs/dbraw/zinc/49/76/40/945497640.db2.gz VCVSJKPUJGJCBT-UHFFFAOYSA-N 1 0 353.831 3.773 20 5 FHBDRO Cc1cccc2c1CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000729480232 945580599 /nfs/dbraw/zinc/58/05/99/945580599.db2.gz QCAMVULWVWKIJD-UHFFFAOYSA-N 1 0 353.422 3.599 20 5 FHBDRO CCCCO[C@@H]1C[C@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000519725713 945679730 /nfs/dbraw/zinc/67/97/30/945679730.db2.gz PQPSKPHAOYZDQO-JKSUJKDBSA-N 1 0 374.441 3.718 20 5 FHBDRO COc1ccc(C2([NH2+]Cc3cccc([N+](=O)[O-])c3)CCOCC2)cc1F ZINC000444005237 945713451 /nfs/dbraw/zinc/71/34/51/945713451.db2.gz PUAXZXJTSQWVGV-UHFFFAOYSA-N 1 0 360.385 3.538 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000181758192 945742144 /nfs/dbraw/zinc/74/21/44/945742144.db2.gz IWPOYCCBGUQDJI-GFCCVEGCSA-N 1 0 369.377 3.639 20 5 FHBDRO C[C@H]([NH2+][C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000549535365 945823207 /nfs/dbraw/zinc/82/32/07/945823207.db2.gz FDXZJUBZFPCPHZ-NJSLBKSFSA-N 1 0 371.412 3.747 20 5 FHBDRO CC(C)[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1(CO)CCC1 ZINC000550102488 945854426 /nfs/dbraw/zinc/85/44/26/945854426.db2.gz NRNAUHQFUOBOJO-KRWDZBQOSA-N 1 0 359.426 3.527 20 5 FHBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc(Cn3cccn3)c2)cccc1[N+](=O)[O-] ZINC000129435787 946013726 /nfs/dbraw/zinc/01/37/26/946013726.db2.gz STMZFCGWBCRTNV-MRXNPFEDSA-N 1 0 350.422 3.999 20 5 FHBDRO Cc1cccc(C)c1OC[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350117 946220591 /nfs/dbraw/zinc/22/05/91/946220591.db2.gz KIOQCDQIFIZIFE-HXUWFJFHSA-N 1 0 372.465 3.862 20 5 FHBDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCS1 ZINC000896951656 946358913 /nfs/dbraw/zinc/35/89/13/946358913.db2.gz LHELRRFEVCNCAB-YUMQZZPRSA-N 1 0 351.291 3.793 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+](CCO)[C@@H]3CCCSC3)o2)c1 ZINC000475488810 946418382 /nfs/dbraw/zinc/41/83/82/946418382.db2.gz RNEWMWHTHYORND-MRXNPFEDSA-N 1 0 362.451 3.545 20 5 FHBDRO COc1ccc(-c2ccc(CN[C@@H]3CC[N@@H+]4CCCC[C@@H]34)o2)c([N+](=O)[O-])c1 ZINC000237424774 946453744 /nfs/dbraw/zinc/45/37/44/946453744.db2.gz JBUOSOUNIXBILC-MSOLQXFVSA-N 1 0 371.437 3.580 20 5 FHBDRO COc1ccc(-c2ccc(CNC[C@@H](C)C[NH+]3CCCC3)o2)c([N+](=O)[O-])c1 ZINC000237428381 946457916 /nfs/dbraw/zinc/45/79/16/946457916.db2.gz HLRUSRWGSDVJJK-OAHLLOKOSA-N 1 0 373.453 3.685 20 5 FHBDRO C[C@H](NC(=O)NCCCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000111474000 946472205 /nfs/dbraw/zinc/47/22/05/946472205.db2.gz BUVQGAJDGLGJHE-INIZCTEOSA-N 1 0 362.474 3.611 20 5 FHBDRO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000897040117 946530574 /nfs/dbraw/zinc/53/05/74/946530574.db2.gz FSSKAPQKDXRTAH-GXFFZTMASA-N 1 0 350.806 3.620 20 5 FHBDRO COc1ccc(OCC[N@H+](C)[C@@H](C)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000441392903 946548828 /nfs/dbraw/zinc/54/88/28/946548828.db2.gz DZOIMOBQMSMYKJ-INIZCTEOSA-N 1 0 358.438 3.854 20 5 FHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441395417 946550386 /nfs/dbraw/zinc/55/03/86/946550386.db2.gz MLQQQZSJKVFQJN-UZLBHIALSA-N 1 0 373.497 3.831 20 5 FHBDRO Cc1ccc2[nH]c(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc2c1C ZINC000473141739 946580506 /nfs/dbraw/zinc/58/05/06/946580506.db2.gz AYBFOBAPEKIXNU-HNNXBMFYSA-N 1 0 365.437 3.774 20 5 FHBDRO Cc1c(NC(=O)CC[N@@H+]2Cc3ccccc3C3(CC3)C2)cccc1[N+](=O)[O-] ZINC000186219435 946629348 /nfs/dbraw/zinc/62/93/48/946629348.db2.gz LLRDODOIUDWGAI-UHFFFAOYSA-N 1 0 365.433 3.779 20 5 FHBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000237450783 946765026 /nfs/dbraw/zinc/76/50/26/946765026.db2.gz GDGFINLSOVEUSY-HOCLYGCPSA-N 1 0 368.437 3.538 20 5 FHBDRO CC[N@@H+](Cc1ccc(Cl)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000519908723 946774715 /nfs/dbraw/zinc/77/47/15/946774715.db2.gz LYFGQXWOQMCDKO-QGZVFWFLSA-N 1 0 364.829 3.510 20 5 FHBDRO NC(=[NH2+])N(c1ccc(F)cc1)c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC001167993325 946808150 /nfs/dbraw/zinc/80/81/50/946808150.db2.gz XAHURDPBPRGKPS-UHFFFAOYSA-N 1 0 358.251 3.664 20 5 FHBDRO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)CCO2 ZINC000475290046 946828820 /nfs/dbraw/zinc/82/88/20/946828820.db2.gz DZDOLGIFHGLJRA-KUHUBIRLSA-N 1 0 374.462 3.703 20 5 FHBDRO O=[N+]([O-])c1ccc(OCCN[C@@H](c2ccc(F)cc2)c2ccccn2)cc1 ZINC000544380411 946897856 /nfs/dbraw/zinc/89/78/56/946897856.db2.gz KKSZUMKEESPFNX-FQEVSTJZSA-N 1 0 367.380 3.887 20 5 FHBDRO O=[N+]([O-])c1ccc(OCCN[C@H](c2ccc(F)cc2)c2ccccn2)cc1 ZINC000544380412 946898172 /nfs/dbraw/zinc/89/81/72/946898172.db2.gz KKSZUMKEESPFNX-HXUWFJFHSA-N 1 0 367.380 3.887 20 5 FHBDRO COc1cc(C[NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1O ZINC000475339698 946907732 /nfs/dbraw/zinc/90/77/32/946907732.db2.gz RIXFBGUNPZBSIF-BBRMVZONSA-N 1 0 360.385 3.874 20 5 FHBDRO CCCC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C)on1 ZINC000112532139 946908700 /nfs/dbraw/zinc/90/87/00/946908700.db2.gz NYVGBELPOFULNR-BBRMVZONSA-N 1 0 360.414 3.739 20 5 FHBDRO CC[C@@H](C)[C@@H](C)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000112600071 946917612 /nfs/dbraw/zinc/91/76/12/946917612.db2.gz MZIKSXRJCUJWAU-ZIAGYGMSSA-N 1 0 363.458 3.831 20 5 FHBDRO CCC[N@H+](CCc1cccs1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000184511931 946922841 /nfs/dbraw/zinc/92/28/41/946922841.db2.gz RBDMYZFKXHVJCD-UHFFFAOYSA-N 1 0 362.451 3.978 20 5 FHBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cccc(Br)c2)cc1 ZINC000048818568 946929414 /nfs/dbraw/zinc/92/94/14/946929414.db2.gz JRROQDBFVPEZPI-UHFFFAOYSA-N 1 0 351.200 3.526 20 5 FHBDRO COc1cccc(NCC2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000475361455 946945988 /nfs/dbraw/zinc/94/59/88/946945988.db2.gz IHIJAUGDGWEBSI-UHFFFAOYSA-N 1 0 361.467 3.989 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000475376100 946986436 /nfs/dbraw/zinc/98/64/36/946986436.db2.gz RLZNLEHCLVWMFD-VWMRQFFHSA-N 1 0 352.434 3.678 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](Cc4ccccc4)C3)nc2c1 ZINC000444602551 947028978 /nfs/dbraw/zinc/02/89/78/947028978.db2.gz KJASWTOZKNASNC-MRXNPFEDSA-N 1 0 350.422 3.926 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1cccnc1)C(C)C ZINC000125624567 947057253 /nfs/dbraw/zinc/05/72/53/947057253.db2.gz TWVVTYHMWKRZHK-UHFFFAOYSA-N 1 0 356.426 3.537 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@@H](c4c(F)cccc4F)C3)nc2c1 ZINC000444685923 947087216 /nfs/dbraw/zinc/08/72/16/947087216.db2.gz BKORLXNFZXFQPV-LLVKDONJSA-N 1 0 358.348 3.739 20 5 FHBDRO COc1ccccc1C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000444678176 947102687 /nfs/dbraw/zinc/10/26/87/947102687.db2.gz YDRKLXSSNGQRRD-QGZVFWFLSA-N 1 0 368.437 3.837 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000444690327 947115085 /nfs/dbraw/zinc/11/50/85/947115085.db2.gz RZJNVYHUZBUOSH-UHFFFAOYSA-N 1 0 367.449 3.895 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCO[C@H]3c3ccc(Cl)cc3)nc2c1 ZINC000444707343 947135299 /nfs/dbraw/zinc/13/52/99/947135299.db2.gz PVIJXOBENUASBA-YJBOKZPZSA-N 1 0 372.812 3.744 20 5 FHBDRO Cc1cc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1F ZINC000444733195 947148076 /nfs/dbraw/zinc/14/80/76/947148076.db2.gz JOVNEICBYYSWKE-UHFFFAOYSA-N 1 0 359.401 3.811 20 5 FHBDRO Cc1cc(C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1F ZINC000444739487 947175384 /nfs/dbraw/zinc/17/53/84/947175384.db2.gz RUHRZRTUCPEXJB-UHFFFAOYSA-N 1 0 359.401 3.811 20 5 FHBDRO C[C@H](c1ccccc1Cl)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248373053 947214944 /nfs/dbraw/zinc/21/49/44/947214944.db2.gz FXBRHKKUBRXHOS-ZIAGYGMSSA-N 1 0 364.829 3.681 20 5 FHBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000125659253 947215343 /nfs/dbraw/zinc/21/53/43/947215343.db2.gz TUKCDXIDLSYWIN-MEDUHNTESA-N 1 0 370.327 3.878 20 5 FHBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000909610183 947250725 /nfs/dbraw/zinc/25/07/25/947250725.db2.gz YGRNJBYVIVGVKU-UHFFFAOYSA-N 1 0 361.829 3.799 20 5 FHBDRO C[N@H+](CCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000523486638 947305231 /nfs/dbraw/zinc/30/52/31/947305231.db2.gz AFFXEJHCYKYNSX-UHFFFAOYSA-N 1 0 369.465 3.511 20 5 FHBDRO Cc1cc(N2CCN([C@H](C)c3ccccc3Cl)CC2)ncc1[N+](=O)[O-] ZINC000301449235 947347256 /nfs/dbraw/zinc/34/72/56/947347256.db2.gz SGDVGHZVLRIVKA-CQSZACIVSA-N 1 0 360.845 3.835 20 5 FHBDRO CC1(C)CCc2ccccc2[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000440613656 947359825 /nfs/dbraw/zinc/35/98/25/947359825.db2.gz NBTBMIDKMIVZNS-SFHVURJKSA-N 1 0 367.449 3.887 20 5 FHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+](C)C)cc2C)c1 ZINC000909614556 947448895 /nfs/dbraw/zinc/44/88/95/947448895.db2.gz SDWZNXSZVAEYME-UHFFFAOYSA-N 1 0 359.451 3.939 20 5 FHBDRO C[N@H+](Cc1ccccc1)C1(CNc2ccncc2[N+](=O)[O-])CCCCC1 ZINC000714229256 947458001 /nfs/dbraw/zinc/45/80/01/947458001.db2.gz YYDIYCVEIDBFBR-UHFFFAOYSA-N 1 0 354.454 3.659 20 5 FHBDRO CSc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000440634389 947465614 /nfs/dbraw/zinc/46/56/14/947465614.db2.gz IMJUQDJXIYHCCD-ZDUSSCGKSA-N 1 0 359.451 3.914 20 5 FHBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000127117671 947512902 /nfs/dbraw/zinc/51/29/02/947512902.db2.gz GNHKBKHYUHYAGO-UHFFFAOYSA-N 1 0 373.375 3.606 20 5 FHBDRO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCc1nccs1 ZINC000159164183 947621991 /nfs/dbraw/zinc/62/19/91/947621991.db2.gz WWZPWFNAYPPSQW-UHFFFAOYSA-N 1 0 372.450 3.813 20 5 FHBDRO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000536349231 947627388 /nfs/dbraw/zinc/62/73/88/947627388.db2.gz PWAHLHAPLKJGKW-JLTOFOAXSA-N 1 0 373.453 3.917 20 5 FHBDRO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000536349236 947627475 /nfs/dbraw/zinc/62/74/75/947627475.db2.gz PWAHLHAPLKJGKW-VBKZILBWSA-N 1 0 373.453 3.917 20 5 FHBDRO Cc1cc(C)n(-c2ccc(CNc3cc4c(cc3[N+](=O)[O-])C[NH2+]C4)cc2)n1 ZINC001167794547 947669546 /nfs/dbraw/zinc/66/95/46/947669546.db2.gz KNWVQJGJZDZDEA-UHFFFAOYSA-N 1 0 363.421 3.613 20 5 FHBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000544623563 947725686 /nfs/dbraw/zinc/72/56/86/947725686.db2.gz HBNIURSBXMYTGF-UHFFFAOYSA-N 1 0 366.437 3.710 20 5 FHBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1(C)C ZINC000536363700 947770765 /nfs/dbraw/zinc/77/07/65/947770765.db2.gz QUUZHSTYCIFTSX-SJORKVTESA-N 1 0 359.426 3.885 20 5 FHBDRO COc1ccccc1[C@@H](CNc1ccnc2c1cccc2[N+](=O)[O-])[NH+](C)C ZINC000432330058 948100502 /nfs/dbraw/zinc/10/05/02/948100502.db2.gz XCUCSWVFUGODTE-GOSISDBHSA-N 1 0 366.421 3.866 20 5 FHBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CCc1cccs1 ZINC000441519904 948191138 /nfs/dbraw/zinc/19/11/38/948191138.db2.gz AFUZOWKRZNVYFB-UHFFFAOYSA-N 1 0 350.440 3.608 20 5 FHBDRO O=[N+]([O-])c1cccc(F)c1CN1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000585753802 948264465 /nfs/dbraw/zinc/26/44/65/948264465.db2.gz VQKPVKDVBRYRGD-UHFFFAOYSA-N 1 0 365.355 3.724 20 5 FHBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000323774080 948332172 /nfs/dbraw/zinc/33/21/72/948332172.db2.gz BWSNPMOCGCEZLI-CYBMUJFWSA-N 1 0 352.740 3.528 20 5 FHBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839506090 948507472 /nfs/dbraw/zinc/50/74/72/948507472.db2.gz WNMGFAPYNSKKLW-ZDUSSCGKSA-N 1 0 370.291 3.521 20 5 FHBDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000097211802 209173715 /nfs/dbraw/zinc/17/37/15/209173715.db2.gz SKAZQSBAFUKHCR-UHFFFAOYSA-N 1 0 361.486 3.743 20 5 FHBDRO CC[NH+](CC)[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000481466595 567970560 /nfs/dbraw/zinc/97/05/60/567970560.db2.gz NMVFWOUZNUBKFG-IBGZPJMESA-N 1 0 355.438 3.603 20 5 FHBDRO COc1cnccc1[C@@H](C)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602627295 568007029 /nfs/dbraw/zinc/00/70/29/568007029.db2.gz QLZRSYHIRAMOEZ-MRVPVSSYSA-N 1 0 372.244 3.673 20 5 FHBDRO COCCOCc1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000291164772 568066589 /nfs/dbraw/zinc/06/65/89/568066589.db2.gz JJSCSQVTVKAMSJ-NRFANRHFSA-N 1 0 370.449 3.925 20 5 FHBDRO C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000481742317 568100005 /nfs/dbraw/zinc/10/00/05/568100005.db2.gz WJCYCQWRLJNQLE-CQSZACIVSA-N 1 0 356.422 3.994 20 5 FHBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2)C1 ZINC000436629923 568102584 /nfs/dbraw/zinc/10/25/84/568102584.db2.gz YBFXCBWAXGGZIF-CQSZACIVSA-N 1 0 369.421 3.785 20 5 FHBDRO COCc1ccc([C@H]2CCC[N@@H+]2CCCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000131113087 568119732 /nfs/dbraw/zinc/11/97/32/568119732.db2.gz ZNBDANYQRBLHQS-GOSISDBHSA-N 1 0 360.410 3.940 20 5 FHBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C2CC2)c1 ZINC000568732914 568144824 /nfs/dbraw/zinc/14/48/24/568144824.db2.gz MOHZYYIZKGGOHE-AWEZNQCLSA-N 1 0 374.462 3.597 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000181916931 568196031 /nfs/dbraw/zinc/19/60/31/568196031.db2.gz QTCXVTBMRXIPKH-CQSZACIVSA-N 1 0 352.394 3.640 20 5 FHBDRO COc1ccccc1C[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000584683876 568199294 /nfs/dbraw/zinc/19/92/94/568199294.db2.gz IEKNVAZQHBVKQY-CQSZACIVSA-N 1 0 353.422 3.848 20 5 FHBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccccc1 ZINC000043745261 568217718 /nfs/dbraw/zinc/21/77/18/568217718.db2.gz FUBPEKHVSKNBSX-MRXNPFEDSA-N 1 0 361.467 3.778 20 5 FHBDRO Cc1cnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000481995505 568221760 /nfs/dbraw/zinc/22/17/60/568221760.db2.gz YKIWXKAQSRLQMO-RTBURBONSA-N 1 0 366.465 3.789 20 5 FHBDRO CN(C)c1cc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c2ccccc2n1 ZINC000569000151 568266033 /nfs/dbraw/zinc/26/60/33/568266033.db2.gz CCCAYGGITDGMIU-SFHVURJKSA-N 1 0 362.433 3.986 20 5 FHBDRO CC[C@@H]([NH2+]CCC(=O)N1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000482125320 568273803 /nfs/dbraw/zinc/27/38/03/568273803.db2.gz UQBYWBCKIWOIGH-QGZVFWFLSA-N 1 0 373.478 3.672 20 5 FHBDRO CC[C@H]([NH2+]CCC(=O)N1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000482125318 568273865 /nfs/dbraw/zinc/27/38/65/568273865.db2.gz UQBYWBCKIWOIGH-KRWDZBQOSA-N 1 0 373.478 3.672 20 5 FHBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000128774344 568290934 /nfs/dbraw/zinc/29/09/34/568290934.db2.gz LQKRMNSVMWDGRR-UHFFFAOYSA-N 1 0 369.421 3.517 20 5 FHBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(C(=O)OC)cc1 ZINC000569795342 568425651 /nfs/dbraw/zinc/42/56/51/568425651.db2.gz LMEALDOGNXYLQZ-MRXNPFEDSA-N 1 0 358.394 3.631 20 5 FHBDRO CCC[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000821021157 607086643 /nfs/dbraw/zinc/08/66/43/607086643.db2.gz LMWHQAXEDLUIOA-SCLBCKFNSA-N 1 0 366.425 3.967 20 5 FHBDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1[N+](=O)[O-] ZINC000824547261 608526166 /nfs/dbraw/zinc/52/61/66/608526166.db2.gz NPPJGCPUVAEZEM-SJKOYZFVSA-N 1 0 364.409 3.503 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)cc1[N+](=O)[O-] ZINC000826282982 609152474 /nfs/dbraw/zinc/15/24/74/609152474.db2.gz HORFSSYCHLWZJG-NEPJUHHUSA-N 1 0 370.388 3.634 20 5 FHBDRO O=[N+]([O-])c1cc(C(F)(F)N2CCCC[C@H]2C2CC[NH2+]CC2)cnc1Cl ZINC001164417131 718891497 /nfs/dbraw/zinc/89/14/97/718891497.db2.gz IIAWKDSFCSVHEQ-ZDUSSCGKSA-N 1 0 374.819 3.547 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164621409 719055985 /nfs/dbraw/zinc/05/59/85/719055985.db2.gz JCYADDNBEWNBEU-MAUKXSAKSA-N 1 0 372.856 3.744 20 5 FHBDRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000466912104 936352638 /nfs/dbraw/zinc/35/26/38/936352638.db2.gz DDYBQLXDQDDDCC-QGZVFWFLSA-N 1 0 366.417 3.856 20 5 FHBDRO COc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000600187367 927150867 /nfs/dbraw/zinc/15/08/67/927150867.db2.gz XQZFMFGNMJHKEN-CALCHBBNSA-N 1 0 354.406 3.634 20 5 FHBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000610178082 927288635 /nfs/dbraw/zinc/28/86/35/927288635.db2.gz NSAFHZMLFRLZLJ-YOEHRIQHSA-N 1 0 361.486 3.695 20 5 FHBDRO CCN(CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)CCC(F)(F)F ZINC000577645588 927368735 /nfs/dbraw/zinc/36/87/35/927368735.db2.gz QXQKPNAUEMZDRB-INIZCTEOSA-N 1 0 359.392 3.836 20 5 FHBDRO O=[N+]([O-])c1cc(C[NH2+]CC2=CCCOC2)ccc1Oc1ccc(F)cc1 ZINC000583167217 937198986 /nfs/dbraw/zinc/19/89/86/937198986.db2.gz OJKAXMXKFPBCCP-UHFFFAOYSA-N 1 0 358.369 3.963 20 5 FHBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1csc([N+](=O)[O-])c1)Cc1ccncc1 ZINC000583170476 937205576 /nfs/dbraw/zinc/20/55/76/937205576.db2.gz ACZKCCMXDFKFJE-KRWDZBQOSA-N 1 0 360.483 3.538 20 5 FHBDRO CC[C@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430197941 927907835 /nfs/dbraw/zinc/90/78/35/927907835.db2.gz XCUWQTAWMXKKAU-FQEVSTJZSA-N 1 0 358.438 3.767 20 5 FHBDRO C[C@H]1C[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000510084871 927945726 /nfs/dbraw/zinc/94/57/26/927945726.db2.gz GQYJLGVIELKJPQ-FUHWJXTLSA-N 1 0 367.449 3.625 20 5 FHBDRO C[C@]1(c2ccccc2)CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000510092932 928129902 /nfs/dbraw/zinc/12/99/02/928129902.db2.gz VPZBZMQFWCLNGT-NRFANRHFSA-N 1 0 367.449 3.638 20 5 FHBDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)nc1 ZINC000471156278 928157501 /nfs/dbraw/zinc/15/75/01/928157501.db2.gz JUCISHOOFRCQDG-JKSUJKDBSA-N 1 0 368.437 3.710 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000430216188 928214169 /nfs/dbraw/zinc/21/41/69/928214169.db2.gz ICGSAJTUFDPPKJ-UHFFFAOYSA-N 1 0 374.462 3.729 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000610221235 928285201 /nfs/dbraw/zinc/28/52/01/928285201.db2.gz CWJNTDKZNLAIIY-UHFFFAOYSA-N 1 0 367.449 3.819 20 5 FHBDRO CCC[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000126942751 928326271 /nfs/dbraw/zinc/32/62/71/928326271.db2.gz BLRIQBFFDJDIQM-HKUYNNGSSA-N 1 0 359.470 3.817 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000430232319 928349830 /nfs/dbraw/zinc/34/98/30/928349830.db2.gz MBCKHMSVGQEDIY-WMZOPIPTSA-N 1 0 362.813 3.877 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000471169451 928445543 /nfs/dbraw/zinc/44/55/43/928445543.db2.gz OFWFZDIOLFBZCY-LJQANCHMSA-N 1 0 355.438 3.704 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000430247451 928520801 /nfs/dbraw/zinc/52/08/01/928520801.db2.gz ZDULDKXNVVBOOK-IBGZPJMESA-N 1 0 355.438 3.704 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)c2c1 ZINC000583227609 937257835 /nfs/dbraw/zinc/25/78/35/937257835.db2.gz WIKDAQJVNIOEDM-IPELMVKDSA-N 1 0 355.438 3.556 20 5 FHBDRO C[N@H+](CCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CCCCC1 ZINC000547738134 929146810 /nfs/dbraw/zinc/14/68/10/929146810.db2.gz CXRKMVCJOBUWQD-UHFFFAOYSA-N 1 0 359.470 3.740 20 5 FHBDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000547738958 929163939 /nfs/dbraw/zinc/16/39/39/929163939.db2.gz XAAKEZCNHUKRAG-OAHLLOKOSA-N 1 0 350.422 3.982 20 5 FHBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000178847611 937322075 /nfs/dbraw/zinc/32/20/75/937322075.db2.gz MGPCJKDLLQGSTC-CQSZACIVSA-N 1 0 368.437 3.538 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430301013 929545950 /nfs/dbraw/zinc/54/59/50/929545950.db2.gz PNOPZOWHSMIXRL-DLBZAZTESA-N 1 0 367.449 3.949 20 5 FHBDRO C[NH+](C)CCc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000610048126 929990269 /nfs/dbraw/zinc/99/02/69/929990269.db2.gz IJYVJUPBMUFTDY-UHFFFAOYSA-N 1 0 355.438 3.615 20 5 FHBDRO Cc1ccc([C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000610062018 930069545 /nfs/dbraw/zinc/06/95/45/930069545.db2.gz FQFIHVLYILYPSY-LJQANCHMSA-N 1 0 369.465 3.600 20 5 FHBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000255162025 930123914 /nfs/dbraw/zinc/12/39/14/930123914.db2.gz GTVIXVWHCDHGGN-UZRURVBFSA-N 1 0 371.481 3.723 20 5 FHBDRO CCc1cc(NC[C@H]2CCC[N@H+]2CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064904664 930196966 /nfs/dbraw/zinc/19/69/66/930196966.db2.gz RUIIGSXRZURPMQ-QGZVFWFLSA-N 1 0 355.442 3.510 20 5 FHBDRO Cc1ccc2cc(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2n1 ZINC000187341507 930282757 /nfs/dbraw/zinc/28/27/57/930282757.db2.gz QZNGVMKMEFOIAC-QGZVFWFLSA-N 1 0 363.421 3.533 20 5 FHBDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000610391302 930306544 /nfs/dbraw/zinc/30/65/44/930306544.db2.gz ROVFNMWXUOUCOX-IIAWOOMASA-N 1 0 359.426 3.546 20 5 FHBDRO CCCNc1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000580305432 930462354 /nfs/dbraw/zinc/46/23/54/930462354.db2.gz CRDRIKGMYKJACA-UHFFFAOYSA-N 1 0 356.426 3.535 20 5 FHBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000379651935 930497776 /nfs/dbraw/zinc/49/77/76/930497776.db2.gz VKWQTRBZGVPKQK-YLJYHZDGSA-N 1 0 353.466 3.780 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379654501 930497819 /nfs/dbraw/zinc/49/78/19/930497819.db2.gz IRFPXDDDBBKQJM-LPHOPBHVSA-N 1 0 369.465 3.746 20 5 FHBDRO Cc1c(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000610445999 930789556 /nfs/dbraw/zinc/78/95/56/930789556.db2.gz NJCPGUBJACJDCO-MRXNPFEDSA-N 1 0 367.449 3.640 20 5 FHBDRO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000610446397 930816942 /nfs/dbraw/zinc/81/69/42/930816942.db2.gz WYKOXPAGNXCNGG-KRWDZBQOSA-N 1 0 367.449 3.640 20 5 FHBDRO CCc1ccc([C@@H]([NH2+]CC2(CO)CCCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000471592675 930841362 /nfs/dbraw/zinc/84/13/62/930841362.db2.gz HETPYMFXVAZKPD-IBGZPJMESA-N 1 0 358.438 3.982 20 5 FHBDRO O=[N+]([O-])c1cc(CN2CC[C@]3(CC[NH2+]C3)C2)ccc1Oc1ccc(F)cc1 ZINC000262030872 931019243 /nfs/dbraw/zinc/01/92/43/931019243.db2.gz OBEDIUMFBHSSCW-FQEVSTJZSA-N 1 0 371.412 3.712 20 5 FHBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000580706799 931035076 /nfs/dbraw/zinc/03/50/76/931035076.db2.gz QOJDTBYMXUJWOZ-INIZCTEOSA-N 1 0 367.449 3.898 20 5 FHBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000177837344 931266359 /nfs/dbraw/zinc/26/63/59/931266359.db2.gz JTFKNMDEOHLRBD-RDJZCZTQSA-N 1 0 359.470 3.735 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000581131983 931600494 /nfs/dbraw/zinc/60/04/94/931600494.db2.gz CZGXGPNYBLBZRB-VQIMIIECSA-N 1 0 367.449 3.544 20 5 FHBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000581305129 931804608 /nfs/dbraw/zinc/80/46/08/931804608.db2.gz NEBRSJWVUKCAGB-CQSZACIVSA-N 1 0 373.478 3.849 20 5 FHBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]([C@@H]3CCCc4ccc(F)cc43)C2)nc1 ZINC000510383285 931811614 /nfs/dbraw/zinc/81/16/14/931811614.db2.gz ZYVBGQMUKDZMQA-MAUKXSAKSA-N 1 0 356.401 3.693 20 5 FHBDRO Cc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000247340892 932009664 /nfs/dbraw/zinc/00/96/64/932009664.db2.gz ZWWFQPCVWABJCX-YJBOKZPZSA-N 1 0 367.449 3.686 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505443 932012831 /nfs/dbraw/zinc/01/28/31/932012831.db2.gz LPOYFHYXXNZMHJ-QGZVFWFLSA-N 1 0 373.384 3.518 20 5 FHBDRO CCC[NH+]1CCC(N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000060559072 932056006 /nfs/dbraw/zinc/05/60/06/932056006.db2.gz KIBYHOJQDNSHFM-UHFFFAOYSA-N 1 0 361.467 3.756 20 5 FHBDRO Cc1cccc2nc(C[NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)cn21 ZINC000178056402 932243113 /nfs/dbraw/zinc/24/31/13/932243113.db2.gz ZKMYGBWATFFYOI-GOSISDBHSA-N 1 0 350.422 3.662 20 5 FHBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F)OCCO2 ZINC000610511587 932294354 /nfs/dbraw/zinc/29/43/54/932294354.db2.gz KZSXGWQBHGBAKD-AAEUAGOBSA-N 1 0 374.359 3.824 20 5 FHBDRO Cc1c(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cccc1[N+](=O)[O-] ZINC000022414092 932322920 /nfs/dbraw/zinc/32/29/20/932322920.db2.gz KFFDSHFZGANKAV-UHFFFAOYSA-N 1 0 359.470 3.822 20 5 FHBDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@@H]1C ZINC000276398096 932339370 /nfs/dbraw/zinc/33/93/70/932339370.db2.gz JZKZWJXQYJKLLN-WMLDXEAASA-N 1 0 365.429 3.577 20 5 FHBDRO CCC[C@H]([NH2+]CCc1cccc(C(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000157857668 932413045 /nfs/dbraw/zinc/41/30/45/932413045.db2.gz OINOBUBWOYBSCR-IBGZPJMESA-N 1 0 355.438 3.628 20 5 FHBDRO C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[N@@H+](C2CCC2)C1 ZINC000561533071 932429022 /nfs/dbraw/zinc/42/90/22/932429022.db2.gz CDXHYECYEZPGQO-ZDUSSCGKSA-N 1 0 373.478 3.756 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H](c4ccccc4)C3)n2)c1 ZINC000477291105 932453099 /nfs/dbraw/zinc/45/30/99/932453099.db2.gz QEZYPABNCYASDY-MRXNPFEDSA-N 1 0 350.378 3.634 20 5 FHBDRO CCOC(CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])OCC ZINC000276525966 932556227 /nfs/dbraw/zinc/55/62/27/932556227.db2.gz MVRLIEQECODYJL-NVXWUHKLSA-N 1 0 350.459 3.685 20 5 FHBDRO C[C@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000430659814 932683674 /nfs/dbraw/zinc/68/36/74/932683674.db2.gz CATYOHAGYVHAFG-KBXCAEBGSA-N 1 0 371.412 3.517 20 5 FHBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000430659815 932683854 /nfs/dbraw/zinc/68/38/54/932683854.db2.gz CATYOHAGYVHAFG-KDOFPFPSSA-N 1 0 371.412 3.517 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000477612524 932733425 /nfs/dbraw/zinc/73/34/25/932733425.db2.gz VUVHLYWJIRNOGO-SGMGOOAPSA-N 1 0 367.877 3.653 20 5 FHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c2c(c1)COCO2 ZINC000055908753 932735959 /nfs/dbraw/zinc/73/59/59/932735959.db2.gz NJDLNQOQUOLPLY-SFHVURJKSA-N 1 0 372.396 3.808 20 5 FHBDRO COc1ccccc1C1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000581864102 932763410 /nfs/dbraw/zinc/76/34/10/932763410.db2.gz MSAFUEGNOVBAOQ-SJORKVTESA-N 1 0 370.453 3.605 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000247372811 932800400 /nfs/dbraw/zinc/80/04/00/932800400.db2.gz KYEKPQLJRBBRKE-RDTXWAMCSA-N 1 0 373.478 3.778 20 5 FHBDRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2ccc(F)c(F)c2F)cccc1[N+](=O)[O-] ZINC000178202207 932842060 /nfs/dbraw/zinc/84/20/60/932842060.db2.gz PGJGGZAFVZXRCM-SNVBAGLBSA-N 1 0 367.327 3.610 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430670345 932853559 /nfs/dbraw/zinc/85/35/59/932853559.db2.gz UJWGOGGQRDSHBE-WMZOPIPTSA-N 1 0 367.449 3.686 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)n1 ZINC000178210588 932895432 /nfs/dbraw/zinc/89/54/32/932895432.db2.gz IGVVGOBKJZRPKF-UHFFFAOYSA-N 1 0 373.432 3.711 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1ccc2c(c1)CCO2)C1CC1 ZINC000178232320 932926591 /nfs/dbraw/zinc/92/65/91/932926591.db2.gz ARPZGVVBAHHYEB-IBGZPJMESA-N 1 0 352.434 3.683 20 5 FHBDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000471803360 932974320 /nfs/dbraw/zinc/97/43/20/932974320.db2.gz GUHWYHCHUYCQOV-OCCSQVGLSA-N 1 0 362.813 3.996 20 5 FHBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000471809713 932992407 /nfs/dbraw/zinc/99/24/07/932992407.db2.gz MKRIFOFYFKHGOI-IUODEOHRSA-N 1 0 362.813 3.996 20 5 FHBDRO COc1ccc([C@H](CNc2cc(C)c([N+](=O)[O-])cn2)[NH+]2CCCC2)cc1 ZINC000074725576 933077484 /nfs/dbraw/zinc/07/74/84/933077484.db2.gz RTCJOAPEOIVUNW-SFHVURJKSA-N 1 0 356.426 3.556 20 5 FHBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C)[NH+](C)C ZINC000510519708 933185004 /nfs/dbraw/zinc/18/50/04/933185004.db2.gz CUIBEFFSMRNDBV-HNAYVOBHSA-N 1 0 355.438 3.633 20 5 FHBDRO Cc1cc(C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000510533893 933195166 /nfs/dbraw/zinc/19/51/66/933195166.db2.gz AVVVPDNXYDCSLT-DNVCBOLYSA-N 1 0 355.438 3.633 20 5 FHBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000510548158 933212611 /nfs/dbraw/zinc/21/26/11/933212611.db2.gz QDAXHDSBCQYEMN-IIBYNOLFSA-N 1 0 369.465 3.643 20 5 FHBDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000510628309 933321390 /nfs/dbraw/zinc/32/13/90/933321390.db2.gz HJLLOXJGHPZPCN-OAHLLOKOSA-N 1 0 366.421 3.968 20 5 FHBDRO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582293 933329221 /nfs/dbraw/zinc/32/92/21/933329221.db2.gz BWQLQIPDGYHDLL-MZHQLVBMSA-N 1 0 373.434 3.666 20 5 FHBDRO C[NH+](C)CCCOc1cnccc1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000561699582 933446790 /nfs/dbraw/zinc/44/67/90/933446790.db2.gz OMEQADNIDAJZGM-UHFFFAOYSA-N 1 0 364.833 3.586 20 5 FHBDRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000127396734 933935001 /nfs/dbraw/zinc/93/50/01/933935001.db2.gz UOJSGKBKNKWCQK-UHFFFAOYSA-N 1 0 374.466 3.690 20 5 FHBDRO CC(C)[NH+](CCSCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000161097292 934029340 /nfs/dbraw/zinc/02/93/40/934029340.db2.gz OJGDXGWBNBJPMN-UHFFFAOYSA-N 1 0 364.471 3.997 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)C[C@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000610741240 934047278 /nfs/dbraw/zinc/04/72/78/934047278.db2.gz ZNOWMBGPSGALCT-ZIAGYGMSSA-N 1 0 360.410 3.768 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)C[C@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000610741239 934047487 /nfs/dbraw/zinc/04/74/87/934047487.db2.gz ZNOWMBGPSGALCT-UONOGXRCSA-N 1 0 360.410 3.768 20 5 FHBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000548487500 934159604 /nfs/dbraw/zinc/15/96/04/934159604.db2.gz FIODHOUUMZYRLN-ZBFHGGJFSA-N 1 0 361.442 3.841 20 5 FHBDRO COc1cccc2c1OC[C@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C2 ZINC000610809829 934454486 /nfs/dbraw/zinc/45/44/86/934454486.db2.gz QXFJSTNBCHCFQI-MSOLQXFVSA-N 1 0 368.433 3.518 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3ccccc3)CC2)c2ncccc12 ZINC000024060014 934461629 /nfs/dbraw/zinc/46/16/29/934461629.db2.gz MYNOIKZZZZQDDE-UHFFFAOYSA-N 1 0 362.433 3.855 20 5 FHBDRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000065208959 934666956 /nfs/dbraw/zinc/66/69/56/934666956.db2.gz HAGDLQQYFBXQEL-LJQANCHMSA-N 1 0 372.421 3.828 20 5 FHBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000277170660 934711386 /nfs/dbraw/zinc/71/13/86/934711386.db2.gz ZKGRCJIRYOGCKZ-GFCCVEGCSA-N 1 0 374.363 3.562 20 5 FHBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(OC)cc1 ZINC000119444623 934809282 /nfs/dbraw/zinc/80/92/82/934809282.db2.gz HAZAGWBYGQFUIG-YOEHRIQHSA-N 1 0 371.437 3.980 20 5 FHBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cccc4c3CCOC4)CC2)cc1 ZINC001167500597 934818088 /nfs/dbraw/zinc/81/80/88/934818088.db2.gz VCZKJYCJOFHJTE-UHFFFAOYSA-N 1 0 368.433 3.711 20 5 FHBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000380543576 934826695 /nfs/dbraw/zinc/82/66/95/934826695.db2.gz NPVRETBFBROJOQ-SFHVURJKSA-N 1 0 371.485 3.834 20 5 FHBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000538716964 934897173 /nfs/dbraw/zinc/89/71/73/934897173.db2.gz SDDFNXZNGWDGAP-MSOLQXFVSA-N 1 0 372.469 3.631 20 5 FHBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3[nH]nc4ccccc43)CC2)cc1 ZINC000611273892 934923603 /nfs/dbraw/zinc/92/36/03/934923603.db2.gz IXXHUHHNDPUKKX-UHFFFAOYSA-N 1 0 352.394 3.515 20 5 FHBDRO Cc1c(CN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000380853493 934939095 /nfs/dbraw/zinc/93/90/95/934939095.db2.gz CXMVGKZTZZCPDC-NHCUHLMSSA-N 1 0 365.477 3.857 20 5 FHBDRO Cc1c(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000380853495 934939287 /nfs/dbraw/zinc/93/92/87/934939287.db2.gz CXMVGKZTZZCPDC-SFTDATJTSA-N 1 0 365.477 3.857 20 5 FHBDRO Cc1cccc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000154038155 934973482 /nfs/dbraw/zinc/97/34/82/934973482.db2.gz HBDMBCQNEMKPHK-UHFFFAOYSA-N 1 0 359.470 3.631 20 5 FHBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000539049190 934998704 /nfs/dbraw/zinc/99/87/04/934998704.db2.gz LREOVGRDTHVTGZ-QTUQIOHYSA-N 1 0 368.477 3.888 20 5 FHBDRO CC(=O)c1cc(N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000383089974 945074469 /nfs/dbraw/zinc/07/44/69/945074469.db2.gz QTNQCEBWRVTNRN-INIZCTEOSA-N 1 0 367.449 3.898 20 5 FHBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000472125319 935098565 /nfs/dbraw/zinc/09/85/65/935098565.db2.gz BSCRQPBCZOXAFC-SJCJKPOMSA-N 1 0 360.389 3.547 20 5 FHBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc(OC)c(OC)c1 ZINC000051377126 935135464 /nfs/dbraw/zinc/13/54/64/935135464.db2.gz YCSBYJYUFCDABG-UHFFFAOYSA-N 1 0 360.410 3.513 20 5 FHBDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000072035424 935229056 /nfs/dbraw/zinc/22/90/56/935229056.db2.gz OINVLCLGDJKHMH-MRXNPFEDSA-N 1 0 371.412 3.893 20 5 FHBDRO C[N@H+](CCC(=O)Nc1ccccc1Cl)CCc1ccccc1[N+](=O)[O-] ZINC000511074154 935274981 /nfs/dbraw/zinc/27/49/81/935274981.db2.gz TUYOWXDSUGXKFB-UHFFFAOYSA-N 1 0 361.829 3.751 20 5 FHBDRO Cc1cc(C[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)n(C)n1 ZINC000551587169 935313742 /nfs/dbraw/zinc/31/37/42/935313742.db2.gz YYHQVHPBUZSACV-UHFFFAOYSA-N 1 0 365.437 3.694 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000511084810 935345077 /nfs/dbraw/zinc/34/50/77/935345077.db2.gz GJTNOMLCRNJTSA-MRXNPFEDSA-N 1 0 359.451 3.532 20 5 FHBDRO O=C(CC1CCCCC1)NCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000540186368 935378793 /nfs/dbraw/zinc/37/87/93/935378793.db2.gz UNDMVYZTZKXXMR-LJQANCHMSA-N 1 0 373.497 3.592 20 5 FHBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000478051621 935393846 /nfs/dbraw/zinc/39/38/46/935393846.db2.gz CIIKNOXXMAKCGK-GFCCVEGCSA-N 1 0 356.348 3.893 20 5 FHBDRO Cc1ccc(NC(=O)CN(C)CCc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000511096134 935473972 /nfs/dbraw/zinc/47/39/72/935473972.db2.gz YUOBBDRMSWINNR-UHFFFAOYSA-N 1 0 361.829 3.670 20 5 FHBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)c1 ZINC000158275719 935485149 /nfs/dbraw/zinc/48/51/49/935485149.db2.gz YDYWHKJAAMEIMW-UHFFFAOYSA-N 1 0 369.421 3.827 20 5 FHBDRO CC[C@H]([NH2+]CCc1ccc(OC)c(OC)c1OC)c1cccc([N+](=O)[O-])c1 ZINC000178556633 935492752 /nfs/dbraw/zinc/49/27/52/935492752.db2.gz OEDOJEXPUCHPSE-KRWDZBQOSA-N 1 0 374.437 3.904 20 5 FHBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)CNc3ccccc3[N+](=O)[O-])c2C1 ZINC000158262467 935665407 /nfs/dbraw/zinc/66/54/07/935665407.db2.gz RQYZPQWRWOUPKK-UHFFFAOYSA-N 1 0 368.437 3.617 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000158284006 935683003 /nfs/dbraw/zinc/68/30/03/935683003.db2.gz GEKKPIAHXNFNCT-UHFFFAOYSA-N 1 0 369.421 3.827 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000159049105 935792965 /nfs/dbraw/zinc/79/29/65/935792965.db2.gz KRDGEFOYJGQSLF-UONOGXRCSA-N 1 0 362.451 3.719 20 5 FHBDRO Cn1c(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])nc2cccc(Cl)c21 ZINC000479411297 935837020 /nfs/dbraw/zinc/83/70/20/935837020.db2.gz ABKYZZZBVMOLAX-FNORWQNLSA-N 1 0 356.813 3.938 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000127923275 935845002 /nfs/dbraw/zinc/84/50/02/935845002.db2.gz MGFSUSBTNMAZHD-HNNXBMFYSA-N 1 0 350.463 3.700 20 5 FHBDRO CC[C@H]([NH2+][C@H](C)C(=O)N1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000479537792 935855441 /nfs/dbraw/zinc/85/54/41/935855441.db2.gz OUWCMYOSQQXNKQ-KUHUBIRLSA-N 1 0 353.422 3.566 20 5 FHBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277733907 935865932 /nfs/dbraw/zinc/86/59/32/935865932.db2.gz OKRNNNOABYUILK-HNNXBMFYSA-N 1 0 363.461 3.507 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000479868805 935909868 /nfs/dbraw/zinc/90/98/68/935909868.db2.gz UOSUBCIGOHOIEH-AWEZNQCLSA-N 1 0 365.355 3.982 20 5 FHBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000176350260 935919783 /nfs/dbraw/zinc/91/97/83/935919783.db2.gz GVWGOUNRCPPTIP-ZDUSSCGKSA-N 1 0 361.467 3.517 20 5 FHBDRO O=[N+]([O-])c1ccc(C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c(Cl)c1 ZINC000611774754 936043668 /nfs/dbraw/zinc/04/36/68/936043668.db2.gz UUBCEFBWWIULDE-HZPDHXFCSA-N 1 0 357.841 3.816 20 5 FHBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000582747009 936071889 /nfs/dbraw/zinc/07/18/89/936071889.db2.gz ZQTXPXJYHILSSX-YJBOKZPZSA-N 1 0 371.485 3.832 20 5 FHBDRO Cc1cc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611928073 936092536 /nfs/dbraw/zinc/09/25/36/936092536.db2.gz HNEQBJIAJVCZBN-ZUZCIYMTSA-N 1 0 355.316 3.607 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000178681440 936172833 /nfs/dbraw/zinc/17/28/33/936172833.db2.gz GEQBBSYOFFWYGU-GJZGRUSLSA-N 1 0 353.422 3.532 20 5 FHBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1NC(C)=O ZINC000178686365 936202966 /nfs/dbraw/zinc/20/29/66/936202966.db2.gz YBSUIJIPAFOAKS-QWHCGFSZSA-N 1 0 357.410 3.974 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000178691451 936208185 /nfs/dbraw/zinc/20/81/85/936208185.db2.gz LDBIDPFYFIUSSX-VXGBXAGGSA-N 1 0 363.364 3.859 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000178691617 936208805 /nfs/dbraw/zinc/20/88/05/936208805.db2.gz CFHALJNWSZTMMQ-NWDGAFQWSA-N 1 0 363.364 3.859 20 5 FHBDRO CN1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000582933403 936305355 /nfs/dbraw/zinc/30/53/55/936305355.db2.gz FMALSSIAVJMMMO-QZTJIDSGSA-N 1 0 363.820 3.922 20 5 FHBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cc2ccccc2o1 ZINC000472286830 938260806 /nfs/dbraw/zinc/26/08/06/938260806.db2.gz NZUMNKLZDIHFCD-UHFFFAOYSA-N 1 0 353.378 3.802 20 5 FHBDRO Cc1cc(F)cc(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000176785072 938302837 /nfs/dbraw/zinc/30/28/37/938302837.db2.gz DKSGUFZGCJVXMV-BETUJISGSA-N 1 0 365.449 3.529 20 5 FHBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000511803910 945169565 /nfs/dbraw/zinc/16/95/65/945169565.db2.gz BCCQKKLNGNWMTH-KGLIPLIRSA-N 1 0 368.359 3.773 20 5 FHBDRO CCCC[N@H+](C)C[C@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000583775547 938401258 /nfs/dbraw/zinc/40/12/58/938401258.db2.gz SAPGWRIKHCAQCC-AWEZNQCLSA-N 1 0 362.499 3.928 20 5 FHBDRO Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000583871560 938462008 /nfs/dbraw/zinc/46/20/08/938462008.db2.gz ORFPLWOYGPXWNF-GFCCVEGCSA-N 1 0 369.219 3.762 20 5 FHBDRO C[N@@H+]1CCC[C@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000108428817 945196215 /nfs/dbraw/zinc/19/62/15/945196215.db2.gz HVHDAZPAAQOLRW-CYBMUJFWSA-N 1 0 363.845 3.940 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000052907684 938654910 /nfs/dbraw/zinc/65/49/10/938654910.db2.gz YLUYITNUYBCEPZ-OAHLLOKOSA-N 1 0 371.437 3.933 20 5 FHBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000278712982 938678611 /nfs/dbraw/zinc/67/86/11/938678611.db2.gz QXZPEBLBGGTLSS-HNNXBMFYSA-N 1 0 363.461 3.696 20 5 FHBDRO O=C(CC[NH2+]CCc1csc2ccccc12)Nc1ccccc1[N+](=O)[O-] ZINC000548825319 938716065 /nfs/dbraw/zinc/71/60/65/938716065.db2.gz JXBCLCRHVPQMIY-UHFFFAOYSA-N 1 0 369.446 3.970 20 5 FHBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000543871229 945210911 /nfs/dbraw/zinc/21/09/11/945210911.db2.gz YATBUYBOQXBNHD-KRWDZBQOSA-N 1 0 373.409 3.614 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1 ZINC000091824457 938907803 /nfs/dbraw/zinc/90/78/03/938907803.db2.gz ZULKUFLOCXRIJG-UHFFFAOYSA-N 1 0 353.422 3.794 20 5 FHBDRO C[C@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCCCC1 ZINC000480481730 938962496 /nfs/dbraw/zinc/96/24/96/938962496.db2.gz NNBDJXLHQOGJQU-KRWDZBQOSA-N 1 0 358.385 3.617 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000162236391 938973980 /nfs/dbraw/zinc/97/39/80/938973980.db2.gz CHQOTEVMGGXVLF-INIZCTEOSA-N 1 0 354.454 3.613 20 5 FHBDRO Cc1ccc([C@H](C)[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000544069376 938991652 /nfs/dbraw/zinc/99/16/52/938991652.db2.gz NXIDUXNVQMOSMT-DLBZAZTESA-N 1 0 358.438 3.644 20 5 FHBDRO Cc1ccc([C@H](C)[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000544069378 938991658 /nfs/dbraw/zinc/99/16/58/938991658.db2.gz NXIDUXNVQMOSMT-IRXDYDNUSA-N 1 0 358.438 3.644 20 5 FHBDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000472336990 938995405 /nfs/dbraw/zinc/99/54/05/938995405.db2.gz GPBZOEUJODAIBE-AEFFLSMTSA-N 1 0 367.449 3.511 20 5 FHBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc(F)c1 ZINC000472351500 939014440 /nfs/dbraw/zinc/01/44/40/939014440.db2.gz SQDWFAGQFRISGH-DJKXOVBDSA-N 1 0 374.412 3.557 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]Cc3ccc(OC)nc3)o2)c([N+](=O)[O-])c1 ZINC000102420896 939018541 /nfs/dbraw/zinc/01/85/41/939018541.db2.gz HUTZCFUTFLGRBX-UHFFFAOYSA-N 1 0 369.377 3.557 20 5 FHBDRO CC(C)(C)OC(=O)NC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255635933 939019460 /nfs/dbraw/zinc/01/94/60/939019460.db2.gz AKNAAIKLORLSEL-VURMDHGXSA-N 1 0 361.442 3.597 20 5 FHBDRO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000065746157 939021686 /nfs/dbraw/zinc/02/16/86/939021686.db2.gz TXNKRHIIQOZAPE-UHFFFAOYSA-N 1 0 353.850 3.585 20 5 FHBDRO Cc1n[nH]c(CC[NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000507442864 945238730 /nfs/dbraw/zinc/23/87/30/945238730.db2.gz PBGKPHKEPBBHGT-NSHDSACASA-N 1 0 357.439 3.643 20 5 FHBDRO CC(=O)c1cc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000383102673 945245453 /nfs/dbraw/zinc/24/54/53/945245453.db2.gz CARDLVGZNILVID-INIZCTEOSA-N 1 0 367.449 3.898 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC[C@H]1COc2ccccc2O1)C1CC1 ZINC000516776117 945244505 /nfs/dbraw/zinc/24/45/05/945244505.db2.gz RABRRKQMUYVCJD-ZWKOTPCHSA-N 1 0 368.433 3.736 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)CN3CCCCC3)o2)c([N+](=O)[O-])c1 ZINC000518268721 945274116 /nfs/dbraw/zinc/27/41/16/945274116.db2.gz SHPXZGSXQLMZJV-HNNXBMFYSA-N 1 0 373.453 3.827 20 5 FHBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000179610961 939894053 /nfs/dbraw/zinc/89/40/53/939894053.db2.gz HJRADDBVXGHSJZ-LBPRGKRZSA-N 1 0 352.337 3.926 20 5 FHBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000179610973 939894197 /nfs/dbraw/zinc/89/41/97/939894197.db2.gz HJRADDBVXGHSJZ-GFCCVEGCSA-N 1 0 352.337 3.926 20 5 FHBDRO CCOc1ccccc1[C@@H](CC)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179736336 939927866 /nfs/dbraw/zinc/92/78/66/939927866.db2.gz VWQFDDDUHVUOTA-OAHLLOKOSA-N 1 0 357.410 3.673 20 5 FHBDRO CCOc1ccccc1[C@H](CC)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000179745161 939930168 /nfs/dbraw/zinc/93/01/68/939930168.db2.gz ZOXPCQHAGJCWNJ-SFHVURJKSA-N 1 0 371.437 3.697 20 5 FHBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000179774410 939933277 /nfs/dbraw/zinc/93/32/77/939933277.db2.gz JBBYWWSRHBXIAB-AWEZNQCLSA-N 1 0 369.421 3.673 20 5 FHBDRO CC(C)(C)OC(=O)N(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000310592805 939936330 /nfs/dbraw/zinc/93/63/30/939936330.db2.gz NSQQCMDXPRETBV-UHFFFAOYSA-N 1 0 351.447 3.720 20 5 FHBDRO COc1ccc([C@H]([NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])C2CC2)cc1 ZINC000892478883 939936585 /nfs/dbraw/zinc/93/65/85/939936585.db2.gz RPGQZTCRIJMJIK-QGZVFWFLSA-N 1 0 358.394 3.559 20 5 FHBDRO COc1ccc([C@@H]([NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])C2CC2)cc1 ZINC000892478881 939936781 /nfs/dbraw/zinc/93/67/81/939936781.db2.gz RPGQZTCRIJMJIK-KRWDZBQOSA-N 1 0 358.394 3.559 20 5 FHBDRO O=C(NCCCCC[NH+]1CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000111039969 945284288 /nfs/dbraw/zinc/28/42/88/945284288.db2.gz QEDDMXBNIFOVJZ-UHFFFAOYSA-N 1 0 353.850 3.634 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC2(CCCC2)C1 ZINC000615000538 939984670 /nfs/dbraw/zinc/98/46/70/939984670.db2.gz RIFFJWRYWFCNKY-UHFFFAOYSA-N 1 0 361.442 3.588 20 5 FHBDRO CCOc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000411477831 940047505 /nfs/dbraw/zinc/04/75/05/940047505.db2.gz DCSRLLPLVZJTRY-CQSZACIVSA-N 1 0 357.410 3.673 20 5 FHBDRO O=[N+]([O-])c1cccc2ncnc(NC3CC[NH+](C4CCCCC4)CC3)c21 ZINC000612446251 940072904 /nfs/dbraw/zinc/07/29/04/940072904.db2.gz BYASYAUGOLSGGY-UHFFFAOYSA-N 1 0 355.442 3.747 20 5 FHBDRO Cc1ccccc1C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000472441159 940142625 /nfs/dbraw/zinc/14/26/25/940142625.db2.gz URGODRNGHPDBIX-UHFFFAOYSA-N 1 0 350.422 3.802 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCSC4(CCC4)CC3)o2)cc1 ZINC000411869353 940148323 /nfs/dbraw/zinc/14/83/23/940148323.db2.gz MPARMZFYOWSWBH-UHFFFAOYSA-N 1 0 360.439 3.506 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCSC4(CCC4)CC3)n2)c1 ZINC000411870523 940148354 /nfs/dbraw/zinc/14/83/54/940148354.db2.gz PAIQDCDLFAWEBD-UHFFFAOYSA-N 1 0 360.439 3.506 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000612580228 940160364 /nfs/dbraw/zinc/16/03/64/940160364.db2.gz AEUDJVMUGDTGNL-KRWDZBQOSA-N 1 0 368.355 3.919 20 5 FHBDRO CC[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000310653659 940301661 /nfs/dbraw/zinc/30/16/61/940301661.db2.gz SIQYSFBBORAQBC-MRXNPFEDSA-N 1 0 351.447 3.893 20 5 FHBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000580798507 940487669 /nfs/dbraw/zinc/48/76/69/940487669.db2.gz CFXXNSFALJBRJN-MRXNPFEDSA-N 1 0 369.465 3.509 20 5 FHBDRO COc1ccc2c(c1)C1(CC1)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000581040817 940493818 /nfs/dbraw/zinc/49/38/18/940493818.db2.gz SKLUOMAJHQZLDF-UHFFFAOYSA-N 1 0 354.406 3.530 20 5 FHBDRO C[C@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000581046319 940494123 /nfs/dbraw/zinc/49/41/23/940494123.db2.gz CLRWUEMCFCWFLR-IVMQYODDSA-N 1 0 373.497 3.858 20 5 FHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(CO)C[C@H]1c1ccccc1 ZINC000582032596 940643341 /nfs/dbraw/zinc/64/33/41/940643341.db2.gz PUPWNUSMYMUILY-ZZAHLBADSA-N 1 0 352.434 3.754 20 5 FHBDRO C[C@H]([NH2+]CCc1cn(C)cn1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414152356 940680065 /nfs/dbraw/zinc/68/00/65/940680065.db2.gz XIXBBTRWXYAIRK-ZDUSSCGKSA-N 1 0 356.451 3.950 20 5 FHBDRO C[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N1CCc2sccc2C1 ZINC000519611458 945341504 /nfs/dbraw/zinc/34/15/04/945341504.db2.gz LIYCGZFEUPGCLL-CXAGYDPISA-N 1 0 357.479 3.680 20 5 FHBDRO CC(C)(C)c1ccncc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000414222379 940793579 /nfs/dbraw/zinc/79/35/79/940793579.db2.gz FHFGTHGUPUDGAE-IRXDYDNUSA-N 1 0 357.458 3.757 20 5 FHBDRO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CC2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC000582664605 940793931 /nfs/dbraw/zinc/79/39/31/940793931.db2.gz JRKCSHJARGGAAH-YXGQEBDGSA-N 1 0 354.454 3.834 20 5 FHBDRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000414254373 940838734 /nfs/dbraw/zinc/83/87/34/940838734.db2.gz URTWIDDFQCHHOI-RYGJVYDSSA-N 1 0 370.453 3.556 20 5 FHBDRO [NH3+]CCc1cn(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccc(O)cc12 ZINC001167986452 945356427 /nfs/dbraw/zinc/35/64/27/945356427.db2.gz VYDXFZAPJRVZCK-UHFFFAOYSA-N 1 0 365.311 3.764 20 5 FHBDRO NC(=O)c1ccc(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000180280970 940907122 /nfs/dbraw/zinc/90/71/22/940907122.db2.gz CNXOQRBTFOBIBB-IBGZPJMESA-N 1 0 371.412 3.854 20 5 FHBDRO CCCOCc1ccccc1C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892613695 940971586 /nfs/dbraw/zinc/97/15/86/940971586.db2.gz XROVNGMCTHQLPT-UHFFFAOYSA-N 1 0 360.410 3.525 20 5 FHBDRO CC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000186338910 940987060 /nfs/dbraw/zinc/98/70/60/940987060.db2.gz ZEXIYHAMNGSFJQ-UHFFFAOYSA-N 1 0 365.499 3.559 20 5 FHBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000310926897 941008793 /nfs/dbraw/zinc/00/87/93/941008793.db2.gz SGRZLXNSQHMCPS-OAHLLOKOSA-N 1 0 360.845 3.967 20 5 FHBDRO C[C@H]([NH2+]CC(=O)N(C)[C@@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000180420389 941009834 /nfs/dbraw/zinc/00/98/34/941009834.db2.gz CLKLMPCIVQKJIA-MGPUTAFESA-N 1 0 367.449 3.781 20 5 FHBDRO CCN(C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(F)cc1 ZINC000180446814 941017822 /nfs/dbraw/zinc/01/78/22/941017822.db2.gz OWIGCYAXZYAWJL-HUUCEWRRSA-N 1 0 373.428 3.994 20 5 FHBDRO CCC(CC)C(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892626480 941018722 /nfs/dbraw/zinc/01/87/22/941018722.db2.gz YOZFDKSFBKIHDB-UHFFFAOYSA-N 1 0 367.877 3.765 20 5 FHBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H](O)Cc2ccccc2)c2ccccc2)c1 ZINC000180471440 941019640 /nfs/dbraw/zinc/01/96/40/941019640.db2.gz XLBRUAXEBFACSV-YADHBBJMSA-N 1 0 362.429 3.877 20 5 FHBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccc(F)cc1F ZINC000472593760 941021505 /nfs/dbraw/zinc/02/15/05/941021505.db2.gz AQUAOVAAHMIPCW-JLZZUVOBSA-N 1 0 364.396 3.947 20 5 FHBDRO COC(=O)COc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000467185634 941023182 /nfs/dbraw/zinc/02/31/82/941023182.db2.gz GOKYQHFJUFIUPV-UONOGXRCSA-N 1 0 358.394 3.558 20 5 FHBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCCOC[C@H]2CCOC2)c2ccccc2)c1 ZINC000180604898 941052509 /nfs/dbraw/zinc/05/25/09/941052509.db2.gz ZNMZEBKAWYRDDV-UTKZUKDTSA-N 1 0 370.449 3.717 20 5 FHBDRO CCOc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000180713855 941066887 /nfs/dbraw/zinc/06/68/87/941066887.db2.gz CHKSOKONEPJAFZ-OAHLLOKOSA-N 1 0 371.437 3.981 20 5 FHBDRO CCc1cc(N2CCC[C@@H]([NH2+][C@@H](CC)c3cccc([N+](=O)[O-])c3)C2)ncn1 ZINC000180778824 941075105 /nfs/dbraw/zinc/07/51/05/941075105.db2.gz NHVFEBCZYRHOQL-MJGOQNOKSA-N 1 0 369.469 3.657 20 5 FHBDRO CSc1cccc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000188793419 941086571 /nfs/dbraw/zinc/08/65/71/941086571.db2.gz HWGYHNNBEDDFBD-OAHLLOKOSA-N 1 0 365.499 3.557 20 5 FHBDRO CCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1F ZINC000472611744 941096730 /nfs/dbraw/zinc/09/67/30/941096730.db2.gz WAWLOEXQLHCFEU-HOTGVXAUSA-N 1 0 362.405 3.603 20 5 FHBDRO CSc1cccc(C(=O)Nc2cc(C[NH+](C)C)ccc2C)c1[N+](=O)[O-] ZINC000188963217 941134510 /nfs/dbraw/zinc/13/45/10/941134510.db2.gz MXVNFMMKHPSHSX-UHFFFAOYSA-N 1 0 359.451 3.939 20 5 FHBDRO C[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000181388770 941148635 /nfs/dbraw/zinc/14/86/35/941148635.db2.gz GSBIYDBGQMBLFU-ZBEGNZNMSA-N 1 0 365.227 3.742 20 5 FHBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)c1 ZINC000181445374 941260273 /nfs/dbraw/zinc/26/02/73/941260273.db2.gz PQXDPDDEGUBXHB-LJQANCHMSA-N 1 0 372.375 3.643 20 5 FHBDRO CCc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000181480931 941330799 /nfs/dbraw/zinc/33/07/99/941330799.db2.gz GWUZLWIVVRXCMB-WMLDXEAASA-N 1 0 359.470 3.540 20 5 FHBDRO [NH3+]C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 ZINC000414853743 941486427 /nfs/dbraw/zinc/48/64/27/941486427.db2.gz SXNCEJSDAHMWEE-QGZVFWFLSA-N 1 0 360.483 3.716 20 5 FHBDRO C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CCC[NH2+]C1 ZINC000414858880 941488344 /nfs/dbraw/zinc/48/83/44/941488344.db2.gz STMNGVRROZDEOL-OLZOCXBDSA-N 1 0 363.845 3.986 20 5 FHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000136137359 941494905 /nfs/dbraw/zinc/49/49/05/941494905.db2.gz BAQZTHTYVVLJIM-UHFFFAOYSA-N 1 0 365.499 3.701 20 5 FHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414938874 941518923 /nfs/dbraw/zinc/51/89/23/941518923.db2.gz WKILZOXYFZRNGS-ORAYPTAESA-N 1 0 368.437 3.561 20 5 FHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414938881 941519163 /nfs/dbraw/zinc/51/91/63/941519163.db2.gz WKILZOXYFZRNGS-YJYMSZOUSA-N 1 0 368.437 3.561 20 5 FHBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000181533960 941528512 /nfs/dbraw/zinc/52/85/12/941528512.db2.gz MDZZOFWRJBZBAH-KBPBESRZSA-N 1 0 352.394 3.927 20 5 FHBDRO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)c1ccccc1 ZINC000181533903 941528581 /nfs/dbraw/zinc/52/85/81/941528581.db2.gz MDZZOFWRJBZBAH-ZIAGYGMSSA-N 1 0 352.394 3.927 20 5 FHBDRO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)c1ccccc1 ZINC000181537943 941538595 /nfs/dbraw/zinc/53/85/95/941538595.db2.gz SMEDBFLIQFHWHV-KGLIPLIRSA-N 1 0 352.394 3.927 20 5 FHBDRO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)c1ccccc1 ZINC000181537921 941538738 /nfs/dbraw/zinc/53/87/38/941538738.db2.gz SMEDBFLIQFHWHV-UONOGXRCSA-N 1 0 352.394 3.927 20 5 FHBDRO [NH3+]CC[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(F)(F)F ZINC000415048008 941565031 /nfs/dbraw/zinc/56/50/31/941565031.db2.gz BNPZNQISPYIWJB-CQSZACIVSA-N 1 0 359.373 3.693 20 5 FHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000136157064 941567169 /nfs/dbraw/zinc/56/71/69/941567169.db2.gz HGXXHQMGKCZYDG-OAHLLOKOSA-N 1 0 359.184 3.864 20 5 FHBDRO C[C@@](C[NH3+])(NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000415194332 941662447 /nfs/dbraw/zinc/66/24/47/941662447.db2.gz MXTANRIMTLRAIS-IBGZPJMESA-N 1 0 370.409 3.636 20 5 FHBDRO C[C@]1(C[NH3+])CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000415195718 941667570 /nfs/dbraw/zinc/66/75/70/941667570.db2.gz PWYJQJGJUMXVKN-LJQANCHMSA-N 1 0 370.409 3.590 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000415299602 941737313 /nfs/dbraw/zinc/73/73/13/941737313.db2.gz QJEYVOKBGWFYIH-UHFFFAOYSA-N 1 0 356.426 3.595 20 5 FHBDRO COc1ccc([C@H](C)N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000072559302 941786213 /nfs/dbraw/zinc/78/62/13/941786213.db2.gz KLDTWGSKAMLWFL-AWEZNQCLSA-N 1 0 357.410 3.543 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000513233529 941790445 /nfs/dbraw/zinc/79/04/45/941790445.db2.gz YPHSHKNPZDKDCX-KSSFIOAISA-N 1 0 353.422 3.925 20 5 FHBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000182344440 941805953 /nfs/dbraw/zinc/80/59/53/941805953.db2.gz GAEJZSLRCQIYKO-AWEZNQCLSA-N 1 0 357.410 3.591 20 5 FHBDRO COCc1ccccc1C=C(C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000513273176 941824942 /nfs/dbraw/zinc/82/49/42/941824942.db2.gz VDKCSTVASRHLKW-NTEUORMPSA-N 1 0 366.421 3.811 20 5 FHBDRO CCOC(=O)c1cc(NC[C@H](c2ccco2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000433689690 941842209 /nfs/dbraw/zinc/84/22/09/941842209.db2.gz KBPSAHWODCBQGL-QGZVFWFLSA-N 1 0 373.409 3.614 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000377667420 941883335 /nfs/dbraw/zinc/88/33/35/941883335.db2.gz JUMWBTNEGZAEQO-FQEVSTJZSA-N 1 0 368.433 3.787 20 5 FHBDRO C[N@H+](CCCNCc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCCCC1 ZINC000517525032 941930331 /nfs/dbraw/zinc/93/03/31/941930331.db2.gz GWENDOQLOPTKJZ-UHFFFAOYSA-N 1 0 371.428 3.940 20 5 FHBDRO CC(C)[N@H+](C)CCNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000517550552 941952694 /nfs/dbraw/zinc/95/26/94/941952694.db2.gz BWZLUXILDJFIEL-UHFFFAOYSA-N 1 0 356.470 3.793 20 5 FHBDRO CC(C)Oc1cc(C(=O)N(C)CC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000412248063 941956238 /nfs/dbraw/zinc/95/62/38/941956238.db2.gz KRHADXJBTNMSAM-UHFFFAOYSA-N 1 0 365.474 3.573 20 5 FHBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2ccccc2o1 ZINC000182640422 941957237 /nfs/dbraw/zinc/95/72/37/941957237.db2.gz QCMJITRHRYXIFL-SUMWQHHRSA-N 1 0 365.389 3.797 20 5 FHBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000182646374 941958133 /nfs/dbraw/zinc/95/81/33/941958133.db2.gz YGAVVRJCTDEORN-CYBMUJFWSA-N 1 0 353.378 3.655 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H](Cc3ccccc3)C3CC3)n2)cc1 ZINC000181553766 941980316 /nfs/dbraw/zinc/98/03/16/941980316.db2.gz ODZWCKJRUWNIJY-GOSISDBHSA-N 1 0 364.405 3.756 20 5 FHBDRO Cc1c(NC(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000377772852 941980636 /nfs/dbraw/zinc/98/06/36/941980636.db2.gz QNLGXDZECLWOHJ-CXAGYDPISA-N 1 0 374.466 3.779 20 5 FHBDRO Cc1cc(NC(=O)C2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)no1 ZINC000182855915 941982257 /nfs/dbraw/zinc/98/22/57/941982257.db2.gz OHAOHUAKZJHNLL-AWEZNQCLSA-N 1 0 372.425 3.611 20 5 FHBDRO CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000513526275 941996370 /nfs/dbraw/zinc/99/63/70/941996370.db2.gz TWSFKZDQZYPTKJ-UHFFFAOYSA-N 1 0 368.865 3.978 20 5 FHBDRO CCn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cn1 ZINC000433945491 942007854 /nfs/dbraw/zinc/00/78/54/942007854.db2.gz HNAXHBXBBDQISS-AZUAARDMSA-N 1 0 372.469 3.945 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182931308 942009729 /nfs/dbraw/zinc/00/97/29/942009729.db2.gz WDROLWPSPLLOIP-GJZGRUSLSA-N 1 0 360.458 3.678 20 5 FHBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000517567538 942013043 /nfs/dbraw/zinc/01/30/43/942013043.db2.gz KGOPKXLAUIWKDR-STQMWFEESA-N 1 0 358.398 3.634 20 5 FHBDRO CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000433956619 942016491 /nfs/dbraw/zinc/01/64/91/942016491.db2.gz DONOTCZBRCHROM-ZAAXVRCTSA-N 1 0 372.469 3.642 20 5 FHBDRO CC[C@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000181564480 942049296 /nfs/dbraw/zinc/04/92/96/942049296.db2.gz OSQWZGRHSBUICR-KRWDZBQOSA-N 1 0 352.394 3.928 20 5 FHBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1ccccc1 ZINC000462114095 942095254 /nfs/dbraw/zinc/09/52/54/942095254.db2.gz YVZXGAMQBDYDMC-HNNXBMFYSA-N 1 0 351.353 3.911 20 5 FHBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000501971020 942145475 /nfs/dbraw/zinc/14/54/75/942145475.db2.gz BJAGKTILQDHLKR-AWEZNQCLSA-N 1 0 361.467 3.938 20 5 FHBDRO Cc1c(CN[C@H](C)c2ccc(Br)cn2)cccc1[N+](=O)[O-] ZINC000280272525 942147916 /nfs/dbraw/zinc/14/79/16/942147916.db2.gz XZFVDYBIVGRARD-LLVKDONJSA-N 1 0 350.216 3.912 20 5 FHBDRO Cc1cc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)ccc1[N+](=O)[O-] ZINC000103094902 942201027 /nfs/dbraw/zinc/20/10/27/942201027.db2.gz GICUHSHWYJKGRW-QGZVFWFLSA-N 1 0 359.470 3.631 20 5 FHBDRO Cc1cccc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000103094418 942201100 /nfs/dbraw/zinc/20/11/00/942201100.db2.gz TXJSDNVQHFBAAH-KRWDZBQOSA-N 1 0 359.470 3.631 20 5 FHBDRO Cc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000415964215 942202542 /nfs/dbraw/zinc/20/25/42/942202542.db2.gz XDYBHABSKXYGJU-GFCCVEGCSA-N 1 0 372.400 3.571 20 5 FHBDRO CC[NH2+]Cc1ccccc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000415964546 942205406 /nfs/dbraw/zinc/20/54/06/942205406.db2.gz ZXTZPYMMXRENFY-UHFFFAOYSA-N 1 0 356.426 3.761 20 5 FHBDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C ZINC000103145453 942223784 /nfs/dbraw/zinc/22/37/84/942223784.db2.gz ROCRSASTTFQSKB-UHFFFAOYSA-N 1 0 371.437 3.681 20 5 FHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103174681 942231342 /nfs/dbraw/zinc/23/13/42/942231342.db2.gz DKNCLQBASZCJBR-MRXNPFEDSA-N 1 0 360.458 3.715 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1CC(OC(C)(C)C)C1 ZINC000421020590 942308230 /nfs/dbraw/zinc/30/82/30/942308230.db2.gz ZPWZTIQXJQKHQS-UHFFFAOYSA-N 1 0 363.458 3.510 20 5 FHBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000501127875 942313477 /nfs/dbraw/zinc/31/34/77/942313477.db2.gz GPRBDBDCQOCUHF-INIZCTEOSA-N 1 0 362.455 3.861 20 5 FHBDRO COc1ccccc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501117099 942317226 /nfs/dbraw/zinc/31/72/26/942317226.db2.gz MTONYWAJAHRAAC-KRWDZBQOSA-N 1 0 369.421 3.769 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000502286864 942333897 /nfs/dbraw/zinc/33/38/97/942333897.db2.gz MYIHOKDUHWICHO-AWEZNQCLSA-N 1 0 374.437 3.650 20 5 FHBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000181581635 942341974 /nfs/dbraw/zinc/34/19/74/942341974.db2.gz SHISUKSRBWOGEL-WDEREUQCSA-N 1 0 363.801 3.632 20 5 FHBDRO C[C@@H]([NH2+][C@H](C)c1cccc(O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000181581651 942341998 /nfs/dbraw/zinc/34/19/98/942341998.db2.gz SHISUKSRBWOGEL-GHMZBOCLSA-N 1 0 363.801 3.632 20 5 FHBDRO CCC(CC)(CNc1c([N+](=O)[O-])c(C)nn1C)[NH2+][C@H](C)c1ccccc1 ZINC000513743791 942437299 /nfs/dbraw/zinc/43/72/99/942437299.db2.gz BQDHGAUSLDWGTQ-CQSZACIVSA-N 1 0 359.474 3.958 20 5 FHBDRO COc1cc(C)c(C[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000502454298 942444061 /nfs/dbraw/zinc/44/40/61/942444061.db2.gz SEPQEUZALSHNGC-AWEZNQCLSA-N 1 0 358.438 3.950 20 5 FHBDRO CCCN1C[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1=O ZINC000421355063 942505838 /nfs/dbraw/zinc/50/58/38/942505838.db2.gz TXPQTGIAELDTLC-AWEZNQCLSA-N 1 0 373.478 3.671 20 5 FHBDRO CC(=O)Nc1ccc(CC[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000468655853 942513303 /nfs/dbraw/zinc/51/33/03/942513303.db2.gz OYBOGILBLOZRJB-QINSGFPZSA-N 1 0 353.422 3.789 20 5 FHBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](O)CC34CCC4)o2)c([N+](=O)[O-])c1 ZINC000421370532 942522131 /nfs/dbraw/zinc/52/21/31/942522131.db2.gz JRAFISIWYXOTAN-CQSZACIVSA-N 1 0 372.421 3.743 20 5 FHBDRO C[NH+](C)C1CCC([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000421373489 942524597 /nfs/dbraw/zinc/52/45/97/942524597.db2.gz NUIFLSGWYJAEOU-UHFFFAOYSA-N 1 0 360.483 3.681 20 5 FHBDRO O=[N+]([O-])c1ccc2ccnc(N3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)c2c1 ZINC000413277403 942586565 /nfs/dbraw/zinc/58/65/65/942586565.db2.gz ZPBDDOHYDBPIJW-KDURUIRLSA-N 1 0 374.444 3.711 20 5 FHBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000420281662 942602658 /nfs/dbraw/zinc/60/26/58/942602658.db2.gz MHWGRTYOXUEADP-BBRMVZONSA-N 1 0 374.268 3.624 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@H]([NH+]4CCCCC4)C3)cs2)c1 ZINC000513750363 942619274 /nfs/dbraw/zinc/61/92/74/942619274.db2.gz GZOKYXJESNXALC-SFHVURJKSA-N 1 0 372.494 3.779 20 5 FHBDRO CC(C)C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000501698159 942620306 /nfs/dbraw/zinc/62/03/06/942620306.db2.gz DJYLIWJPNLIHIT-ICSRJNTNSA-N 1 0 358.438 3.712 20 5 FHBDRO Cc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c2ccccc2n1 ZINC000072664930 942630644 /nfs/dbraw/zinc/63/06/44/942630644.db2.gz XGKDZWOHTYSFSL-INIZCTEOSA-N 1 0 363.421 3.533 20 5 FHBDRO C[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000514081510 942733544 /nfs/dbraw/zinc/73/35/44/942733544.db2.gz CCXVPQFSYSITSA-DNVCBOLYSA-N 1 0 350.422 3.811 20 5 FHBDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000183630308 942754363 /nfs/dbraw/zinc/75/43/63/942754363.db2.gz LJBNCJJUZIBLDR-LSDHHAIUSA-N 1 0 370.405 3.740 20 5 FHBDRO C[C@H]([NH2+][C@H](c1ccccn1)C1CCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000378466758 942796661 /nfs/dbraw/zinc/79/66/61/942796661.db2.gz MMILVWBCOUHMFW-LIRRHRJNSA-N 1 0 368.437 3.838 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000421756506 942800480 /nfs/dbraw/zinc/80/04/80/942800480.db2.gz KAXNUQGEHCDQQQ-ULQDDVLXSA-N 1 0 359.470 3.689 20 5 FHBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421763749 942810719 /nfs/dbraw/zinc/81/07/19/942810719.db2.gz RVQWYLWCDIHOEC-UHFFFAOYSA-N 1 0 369.465 3.936 20 5 FHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC000367116327 942863234 /nfs/dbraw/zinc/86/32/34/942863234.db2.gz AWVLGFFWBVAQRI-MRXNPFEDSA-N 1 0 354.454 3.647 20 5 FHBDRO COc1cc(CNC[C@H]([NH3+])c2ccc(C(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000414850465 942865558 /nfs/dbraw/zinc/86/55/58/942865558.db2.gz SHQWLWPSZZQQEI-KRWDZBQOSA-N 1 0 373.453 3.525 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(NC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)nc2c1 ZINC000312233388 942897454 /nfs/dbraw/zinc/89/74/54/942897454.db2.gz AWBUBIVXIJWJBN-INIZCTEOSA-N 1 0 365.437 3.795 20 5 FHBDRO CC(C)c1ccc(C[NH2+]CCOCC(F)(F)C(F)F)cc1[N+](=O)[O-] ZINC000434783781 942962903 /nfs/dbraw/zinc/96/29/03/942962903.db2.gz IFKWAJYWSNSRIR-UHFFFAOYSA-N 1 0 352.328 3.725 20 5 FHBDRO Cc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000027603261 942979166 /nfs/dbraw/zinc/97/91/66/942979166.db2.gz GGUMYGOEYTWHBX-MRXNPFEDSA-N 1 0 359.451 3.532 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000434891419 943022322 /nfs/dbraw/zinc/02/23/22/943022322.db2.gz HRZYOCSGFYNSJP-MAUKXSAKSA-N 1 0 353.422 3.720 20 5 FHBDRO COc1cc(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000425231659 943024091 /nfs/dbraw/zinc/02/40/91/943024091.db2.gz DUNKOZUDUKONKE-CYBMUJFWSA-N 1 0 374.416 3.775 20 5 FHBDRO C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505602928 943150812 /nfs/dbraw/zinc/15/08/12/943150812.db2.gz BERDRWWVQRXQCP-PXAZEXFGSA-N 1 0 361.829 3.669 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000503419928 943175701 /nfs/dbraw/zinc/17/57/01/943175701.db2.gz PVZNOVOZRUAMSL-UONOGXRCSA-N 1 0 365.499 3.700 20 5 FHBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000047970960 943230135 /nfs/dbraw/zinc/23/01/35/943230135.db2.gz XVGWRABLNARCIW-UHFFFAOYSA-N 1 0 368.437 3.643 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](n4ccnn4)C3)s2)cc1 ZINC000425349007 943351889 /nfs/dbraw/zinc/35/18/89/943351889.db2.gz KAWXFSDBCAMHSY-MRXNPFEDSA-N 1 0 369.450 3.752 20 5 FHBDRO COc1ccc(-c2ccc(C[NH+]3CC(CC(F)F)C3)o2)c([N+](=O)[O-])c1 ZINC000425363900 943370762 /nfs/dbraw/zinc/37/07/62/943370762.db2.gz DHCZWJZQKNWXAI-UHFFFAOYSA-N 1 0 352.337 3.950 20 5 FHBDRO Cc1ccc(CN(Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000435420692 943400541 /nfs/dbraw/zinc/40/05/41/943400541.db2.gz FHVWLRVZLFOXJE-KRWDZBQOSA-N 1 0 372.494 3.504 20 5 FHBDRO COc1cccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]2CCCO2)c1 ZINC000053232653 943417416 /nfs/dbraw/zinc/41/74/16/943417416.db2.gz ZOGJZUDEWYEEHJ-HXUWFJFHSA-N 1 0 356.422 3.785 20 5 FHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000423351628 943486926 /nfs/dbraw/zinc/48/69/26/943486926.db2.gz IPVJGKHQUVGNOI-ORAYPTAESA-N 1 0 368.437 3.561 20 5 FHBDRO Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423352157 943487777 /nfs/dbraw/zinc/48/77/77/943487777.db2.gz JXNJYYVCKBGSLG-OKZBNKHCSA-N 1 0 355.442 3.524 20 5 FHBDRO C[C@H](N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000423368034 943493799 /nfs/dbraw/zinc/49/37/99/943493799.db2.gz MVPAUJMPRBZEQT-UVIMBBFXSA-N 1 0 361.392 3.669 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC3(CCOCC3)[C@H]1O)CCCC2 ZINC000417316286 943502810 /nfs/dbraw/zinc/50/28/10/943502810.db2.gz APWUVKYDQOWBNC-AHRSYUTCSA-N 1 0 374.481 3.520 20 5 FHBDRO C[C@H](N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000423375645 943504037 /nfs/dbraw/zinc/50/40/37/943504037.db2.gz UNODGWHBYCSROQ-UVIMBBFXSA-N 1 0 361.392 3.669 20 5 FHBDRO Cn1cc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c(C(F)(F)F)n1 ZINC000417313513 943508510 /nfs/dbraw/zinc/50/85/10/943508510.db2.gz WIARAJXXARJYJV-OAHLLOKOSA-N 1 0 368.359 3.904 20 5 FHBDRO CCOc1ccc([C@@H](C)NC[C@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000423446945 943513693 /nfs/dbraw/zinc/51/36/93/943513693.db2.gz ZMFAAWHZXQBFDB-RDTXWAMCSA-N 1 0 355.438 3.531 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1-n1cccn1)CCCC2 ZINC000417326131 943517997 /nfs/dbraw/zinc/51/79/97/943517997.db2.gz QZTXDXBPYODJQW-IBGZPJMESA-N 1 0 363.421 3.733 20 5 FHBDRO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000417331039 943520803 /nfs/dbraw/zinc/52/08/03/943520803.db2.gz LMWYOALIIHILFG-GOSISDBHSA-N 1 0 354.410 3.506 20 5 FHBDRO COCCOc1ncccc1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417332742 943520808 /nfs/dbraw/zinc/52/08/08/943520808.db2.gz XRNFELRRLCJEEH-IBGZPJMESA-N 1 0 371.437 3.572 20 5 FHBDRO COc1ccc([C@H](CO)C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417361937 943542171 /nfs/dbraw/zinc/54/21/71/943542171.db2.gz KUOAAWNTNWSVKM-LAUBAEHRSA-N 1 0 370.449 3.737 20 5 FHBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC[C@@H]21 ZINC000549470554 943579835 /nfs/dbraw/zinc/57/98/35/943579835.db2.gz AAIQPXGRUGGXCN-WBMJQRKESA-N 1 0 357.376 3.530 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000423657860 943585733 /nfs/dbraw/zinc/58/57/33/943585733.db2.gz WUTRIROBUQIILL-UHFFFAOYSA-N 1 0 357.385 3.557 20 5 FHBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000435773633 943602712 /nfs/dbraw/zinc/60/27/12/943602712.db2.gz WOYDRQAQIQPNBR-HNNXBMFYSA-N 1 0 364.421 3.653 20 5 FHBDRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000423978694 943669177 /nfs/dbraw/zinc/66/91/77/943669177.db2.gz NHXYAKYWIFPBJT-UHFFFAOYSA-N 1 0 372.406 3.517 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000504899831 943896999 /nfs/dbraw/zinc/89/69/99/943896999.db2.gz MZXCCXJKONFYAO-KFZJALRRSA-N 1 0 350.484 3.869 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000504899818 943897425 /nfs/dbraw/zinc/89/74/25/943897425.db2.gz MOIRAARFKVMCTE-CQSZACIVSA-N 1 0 356.422 3.822 20 5 FHBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000053373048 943897583 /nfs/dbraw/zinc/89/75/83/943897583.db2.gz UPSNZVPZMPDSDQ-YPNIWSFNSA-N 1 0 365.433 3.561 20 5 FHBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000515498744 943927685 /nfs/dbraw/zinc/92/76/85/943927685.db2.gz HJEVZERIYLSXQT-UHFFFAOYSA-N 1 0 363.439 3.629 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000566518864 943931178 /nfs/dbraw/zinc/93/11/78/943931178.db2.gz CJPHKKWKQSKRIA-UHFFFAOYSA-N 1 0 373.453 3.707 20 5 FHBDRO COc1cc(C[N@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000566520328 943934641 /nfs/dbraw/zinc/93/46/41/943934641.db2.gz PHAVNILQCHXOJZ-HOTGVXAUSA-N 1 0 358.438 3.590 20 5 FHBDRO O=[N+]([O-])c1cc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Oc1ccc(F)cc1 ZINC000517144713 944044519 /nfs/dbraw/zinc/04/45/19/944044519.db2.gz GFDDFKHSVBKDRT-SJORKVTESA-N 1 0 371.412 3.853 20 5 FHBDRO CO[C@](C)([C@H](C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000425477001 944072576 /nfs/dbraw/zinc/07/25/76/944072576.db2.gz NUFZDTUUEOYHBE-ZUZCIYMTSA-N 1 0 357.248 3.651 20 5 FHBDRO O=C(CC[N@@H+]1CCSC[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000500115842 944121216 /nfs/dbraw/zinc/12/12/16/944121216.db2.gz MNNHBRDUEMABEX-SFHVURJKSA-N 1 0 371.462 3.714 20 5 FHBDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500143128 944164013 /nfs/dbraw/zinc/16/40/13/944164013.db2.gz XPJGFLCQVAKCAK-GOSISDBHSA-N 1 0 367.449 3.939 20 5 FHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000436291933 944179128 /nfs/dbraw/zinc/17/91/28/944179128.db2.gz KVUNAKXZVLQNQF-IIAWOOMASA-N 1 0 371.412 3.987 20 5 FHBDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1(C)C ZINC000436376472 944246034 /nfs/dbraw/zinc/24/60/34/944246034.db2.gz HUWLGEYRIHQRQA-UYAOXDASSA-N 1 0 374.437 3.511 20 5 FHBDRO COc1cc(C[NH2+][C@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000436410792 944298493 /nfs/dbraw/zinc/29/84/93/944298493.db2.gz PIKPVWYNFUNGFC-JQWIXIFHSA-N 1 0 362.348 3.823 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000506474083 944300667 /nfs/dbraw/zinc/30/06/67/944300667.db2.gz LAXOAUKUYWJTCY-ZWKOTPCHSA-N 1 0 361.486 3.560 20 5 FHBDRO CSc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000500235701 944316088 /nfs/dbraw/zinc/31/60/88/944316088.db2.gz DCYNIOLQTHCRMI-QWHCGFSZSA-N 1 0 359.451 3.995 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001167751824 944347425 /nfs/dbraw/zinc/34/74/25/944347425.db2.gz NYRGUZXLJULABJ-OAHLLOKOSA-N 1 0 355.442 3.728 20 5 FHBDRO CC(C)[NH+](CCN(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000505835970 944365350 /nfs/dbraw/zinc/36/53/50/944365350.db2.gz ZUDBNVNXUUVSNJ-UHFFFAOYSA-N 1 0 374.485 3.843 20 5 FHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000426293034 944388251 /nfs/dbraw/zinc/38/82/51/944388251.db2.gz GMRUKAHOVKZDBA-RDJZCZTQSA-N 1 0 357.429 3.924 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)o2)cc1 ZINC000123686817 944396967 /nfs/dbraw/zinc/39/69/67/944396967.db2.gz GIHUJPOMCNXVGJ-ZBFHGGJFSA-N 1 0 370.327 3.742 20 5 FHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)c1 ZINC000505844003 944411905 /nfs/dbraw/zinc/41/19/05/944411905.db2.gz CRPOKQMRXVUZMK-KALAYHLKSA-N 1 0 368.433 3.512 20 5 FHBDRO CC[N@H+](CCO)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000505847659 944431909 /nfs/dbraw/zinc/43/19/09/944431909.db2.gz DGMYSVYXMZYPFY-UHFFFAOYSA-N 1 0 350.802 3.855 20 5 FHBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000843756395 944465263 /nfs/dbraw/zinc/46/52/63/944465263.db2.gz YKHMRNVOYKYZPO-UHFFFAOYSA-N 1 0 371.412 3.568 20 5 FHBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000518525634 944471986 /nfs/dbraw/zinc/47/19/86/944471986.db2.gz YHTPDPXKTNSJCL-LBPRGKRZSA-N 1 0 368.865 3.880 20 5 FHBDRO CC[C@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000439262064 944479388 /nfs/dbraw/zinc/47/93/88/944479388.db2.gz TWYCUHDNENGSPL-FQEVSTJZSA-N 1 0 358.438 3.767 20 5 FHBDRO CCS[C@@H]1CCCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000112088934 944480923 /nfs/dbraw/zinc/48/09/23/944480923.db2.gz UBNDPAJCNWGPFM-OAHLLOKOSA-N 1 0 365.499 3.839 20 5 FHBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000843757849 944543993 /nfs/dbraw/zinc/54/39/93/944543993.db2.gz FVLFXQCLIBOXKW-GOSISDBHSA-N 1 0 371.412 3.609 20 5 FHBDRO COC[C@@]1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)OCCc2ccccc21 ZINC000518623259 944552964 /nfs/dbraw/zinc/55/29/64/944552964.db2.gz BQCKJBVCCLEOFV-HRAATJIYSA-N 1 0 370.449 3.668 20 5 FHBDRO O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(C(F)(F)F)s3)CC2)n1 ZINC000425997420 944562519 /nfs/dbraw/zinc/56/25/19/944562519.db2.gz XHVFHTWIUWXDFO-UHFFFAOYSA-N 1 0 360.361 3.709 20 5 FHBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCc3c(F)cccc3Cl)CC2)n1 ZINC000426003446 944583944 /nfs/dbraw/zinc/58/39/44/944583944.db2.gz SDVLXZBCRUPDRB-UHFFFAOYSA-N 1 0 366.824 3.854 20 5 FHBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000517765718 944584676 /nfs/dbraw/zinc/58/46/76/944584676.db2.gz ZFLSNQPMFANCCC-UHFFFAOYSA-N 1 0 361.442 3.781 20 5 FHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000507599323 944663539 /nfs/dbraw/zinc/66/35/39/944663539.db2.gz XBEGFPOATQHMPL-DZGCQCFKSA-N 1 0 373.840 3.814 20 5 FHBDRO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000506278901 944774701 /nfs/dbraw/zinc/77/47/01/944774701.db2.gz CKSLUBVUUINLSC-CRAIPNDOSA-N 1 0 368.437 3.860 20 5 FHBDRO O=C(C[N@@H+]1CC[C@H]2CCC[C@H]21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000426455517 944841333 /nfs/dbraw/zinc/84/13/33/944841333.db2.gz TWROVJBEYWOWGE-MLGOLLRUSA-N 1 0 372.450 3.531 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000426876846 944897006 /nfs/dbraw/zinc/89/70/06/944897006.db2.gz UJWXCANEQBMZTN-UHFFFAOYSA-N 1 0 369.421 3.842 20 5 FHBDRO Cc1c(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000487340941 944907119 /nfs/dbraw/zinc/90/71/19/944907119.db2.gz CJXJFPBNBNRDIU-AEFFLSMTSA-N 1 0 367.449 3.544 20 5 FHBDRO [NH3+]CCN(Cc1cccc(OCC(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000518009926 944920794 /nfs/dbraw/zinc/92/07/94/944920794.db2.gz JLMMRZNPELZWBA-UHFFFAOYSA-N 1 0 369.343 3.501 20 5 FHBDRO CC(C)c1ccc(C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000439742338 944938041 /nfs/dbraw/zinc/93/80/41/944938041.db2.gz UBXNBYOCJRHXHP-RTBURBONSA-N 1 0 367.449 3.546 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000438733510 944962858 /nfs/dbraw/zinc/96/28/58/944962858.db2.gz PKPAEGZMBVIXDC-FQEVSTJZSA-N 1 0 365.433 3.994 20 5 FHBDRO Cc1ccccc1[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000507179751 945010879 /nfs/dbraw/zinc/01/08/79/945010879.db2.gz HTKCHEOATPUHGB-JKSUJKDBSA-N 1 0 353.422 3.720 20 5 FHBDRO CCc1ccc([C@@H](NCC2([NH+](C)C)CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000437111566 945032436 /nfs/dbraw/zinc/03/24/36/945032436.db2.gz DQUYDLVUGGEKPE-IBGZPJMESA-N 1 0 357.454 3.914 20 5 FHBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)[N@H+](C)C1CC1 ZINC000110695563 945053218 /nfs/dbraw/zinc/05/32/18/945053218.db2.gz CMXARDAVZIPTBL-AWEZNQCLSA-N 1 0 369.421 3.600 20 5 FHBDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000507706891 945480330 /nfs/dbraw/zinc/48/03/30/945480330.db2.gz ZXTWIPIRONIZAH-WBVHZDCISA-N 1 0 355.438 3.565 20 5 FHBDRO Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000549526912 945663573 /nfs/dbraw/zinc/66/35/73/945663573.db2.gz DSCCXEFGTWIWGU-INIZCTEOSA-N 1 0 355.442 3.503 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1CNc1[nH+]ccn1Cc1ccccc1 ZINC000508458062 945690293 /nfs/dbraw/zinc/69/02/93/945690293.db2.gz LHJUKKYTJODIBM-UHFFFAOYSA-N 1 0 352.394 3.850 20 5 FHBDRO C[NH+](C)CC[C@@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C(C)(C)C ZINC001126031532 945715408 /nfs/dbraw/zinc/71/54/08/945715408.db2.gz LDNNYYUJJHGMEP-MRXNPFEDSA-N 1 0 369.893 3.663 20 5 FHBDRO O=C(NCC1CC[NH2+]CC1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000519749784 945716872 /nfs/dbraw/zinc/71/68/72/945716872.db2.gz NORSULFFFLFQLM-UHFFFAOYSA-N 1 0 370.409 3.508 20 5 FHBDRO COc1ccc(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3C)CCOCC2)cc1F ZINC000444017201 945727222 /nfs/dbraw/zinc/72/72/22/945727222.db2.gz PLELYVZKWRKQNW-UHFFFAOYSA-N 1 0 374.412 3.846 20 5 FHBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000107826795 945799302 /nfs/dbraw/zinc/79/93/02/945799302.db2.gz ILLYVJNYBFKNSU-UHFFFAOYSA-N 1 0 355.438 3.675 20 5 FHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000550099577 945861117 /nfs/dbraw/zinc/86/11/17/945861117.db2.gz AUHSKWXGCLMVJJ-UHFFFAOYSA-N 1 0 357.385 3.972 20 5 FHBDRO CCCO[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000108397140 945945242 /nfs/dbraw/zinc/94/52/42/945945242.db2.gz FZQRJNRHBNTPQY-KRWDZBQOSA-N 1 0 363.458 3.513 20 5 FHBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000522887460 946060578 /nfs/dbraw/zinc/06/05/78/946060578.db2.gz KTDXJOCHLFQINX-OAHLLOKOSA-N 1 0 365.499 3.701 20 5 FHBDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000111372536 946445375 /nfs/dbraw/zinc/44/53/75/946445375.db2.gz FSMAKSBWASNJDO-MLGOLLRUSA-N 1 0 359.813 3.704 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3C[C@H](C)N(C4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000237427339 946456995 /nfs/dbraw/zinc/45/69/95/946456995.db2.gz MUEVCUFEIXJUBX-KBPBESRZSA-N 1 0 371.437 3.578 20 5 FHBDRO Cc1ccc(C(C)(C)C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000441346566 946497734 /nfs/dbraw/zinc/49/77/34/946497734.db2.gz NMQJQBDUSSCPCK-IBGZPJMESA-N 1 0 372.465 3.553 20 5 FHBDRO Cc1c(NC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000111707234 946514733 /nfs/dbraw/zinc/51/47/33/946514733.db2.gz PNYUTUKRYMXARM-CQSZACIVSA-N 1 0 356.426 3.545 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]CCOCC(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000237288048 946535868 /nfs/dbraw/zinc/53/58/68/946535868.db2.gz QGZZOPKLLMURHA-UHFFFAOYSA-N 1 0 374.315 3.532 20 5 FHBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H]1C ZINC000475190300 946591499 /nfs/dbraw/zinc/59/14/99/946591499.db2.gz FZXCTXVDAKSMKE-IFUGULHKSA-N 1 0 374.359 3.681 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000475551975 946622250 /nfs/dbraw/zinc/62/22/50/946622250.db2.gz VXKBXUYXGIQFCL-INIZCTEOSA-N 1 0 362.474 3.988 20 5 FHBDRO CCC(CC)[C@H](CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)[NH+](C)C ZINC000475554805 946637151 /nfs/dbraw/zinc/63/71/51/946637151.db2.gz NNONYHVVCJRLRT-KRWDZBQOSA-N 1 0 350.463 3.700 20 5 FHBDRO Cc1ccc(CN(Cc2ccccc2)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000567399422 946644613 /nfs/dbraw/zinc/64/46/13/946644613.db2.gz BXRISIPMAAOEEK-UHFFFAOYSA-N 1 0 353.466 4.000 20 5 FHBDRO CC(=O)c1cc(NC2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000550346418 946686577 /nfs/dbraw/zinc/68/65/77/946686577.db2.gz ZEMPOKWMUDUTLB-UHFFFAOYSA-N 1 0 353.422 3.874 20 5 FHBDRO COc1cc(C[NH2+]CCC2(C)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000475199186 946710649 /nfs/dbraw/zinc/71/06/49/946710649.db2.gz TUAFUPDKUFMRQB-UHFFFAOYSA-N 1 0 362.348 3.824 20 5 FHBDRO CC(=O)c1cc(N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000323980180 946749464 /nfs/dbraw/zinc/74/94/64/946749464.db2.gz DZPJGXLPJUNCAO-INIZCTEOSA-N 1 0 367.449 3.756 20 5 FHBDRO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)CCO2 ZINC000475289423 946828289 /nfs/dbraw/zinc/82/82/89/946828289.db2.gz AHKCWLUQTIXERJ-KUHUBIRLSA-N 1 0 374.462 3.703 20 5 FHBDRO Cc1nc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000475313012 946872871 /nfs/dbraw/zinc/87/28/71/946872871.db2.gz ZPBOWGRRVSUUKG-UHFFFAOYSA-N 1 0 354.410 3.536 20 5 FHBDRO CCCC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C)on1 ZINC000112532142 946908989 /nfs/dbraw/zinc/90/89/89/946908989.db2.gz NYVGBELPOFULNR-CJNGLKHVSA-N 1 0 360.414 3.739 20 5 FHBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000843771475 946927907 /nfs/dbraw/zinc/92/79/07/946927907.db2.gz KZPFXRDAQZCJBB-HOCLYGCPSA-N 1 0 371.412 3.608 20 5 FHBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccccc2Br)cc1 ZINC000048820461 946929422 /nfs/dbraw/zinc/92/94/22/946929422.db2.gz WRULDOHZXHHJBX-UHFFFAOYSA-N 1 0 351.200 3.526 20 5 FHBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000523178706 946969774 /nfs/dbraw/zinc/96/97/74/946969774.db2.gz GRRBKFCEOSPLEU-HNNXBMFYSA-N 1 0 360.458 3.546 20 5 FHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC[C@@H]3OCCc4ccccc43)nc2c1 ZINC000897234230 946982798 /nfs/dbraw/zinc/98/27/98/946982798.db2.gz LOAPBICLNZEJLX-KRWDZBQOSA-N 1 0 353.378 3.530 20 5 FHBDRO CN(CCCOc1ccc(F)cc1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444591919 947016661 /nfs/dbraw/zinc/01/66/61/947016661.db2.gz ORCYNFSWJNBRSJ-UHFFFAOYSA-N 1 0 358.373 3.511 20 5 FHBDRO COc1ccccc1C[C@H](C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444646189 947067814 /nfs/dbraw/zinc/06/78/14/947067814.db2.gz AWVCVCRYKZQICB-ZDUSSCGKSA-N 1 0 354.410 3.543 20 5 FHBDRO CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C[NH+]1CCCCCC1 ZINC000444685842 947086895 /nfs/dbraw/zinc/08/68/95/947086895.db2.gz QCAVZXZYPOGOPG-UHFFFAOYSA-N 1 0 359.474 3.558 20 5 FHBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1-n1cccn1 ZINC000444687944 947089155 /nfs/dbraw/zinc/08/91/55/947089155.db2.gz HWEFKFWHBYKSMS-ZDUSSCGKSA-N 1 0 362.393 3.508 20 5 FHBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1(c2ccccc2)CC1 ZINC000444668712 947094389 /nfs/dbraw/zinc/09/43/89/947094389.db2.gz CXSZLWDEAJFJKM-HNNXBMFYSA-N 1 0 353.422 3.585 20 5 FHBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1(c2ccccc2)CC1 ZINC000444668715 947094537 /nfs/dbraw/zinc/09/45/37/947094537.db2.gz CXSZLWDEAJFJKM-OAHLLOKOSA-N 1 0 353.422 3.585 20 5 FHBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000248676281 947101612 /nfs/dbraw/zinc/10/16/12/947101612.db2.gz YXVZQBJEPQYMQJ-CZUORRHYSA-N 1 0 363.487 3.676 20 5 FHBDRO COc1ccccc1C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000444678175 947102377 /nfs/dbraw/zinc/10/23/77/947102377.db2.gz YDRKLXSSNGQRRD-KRWDZBQOSA-N 1 0 368.437 3.837 20 5 FHBDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000444679914 947103866 /nfs/dbraw/zinc/10/38/66/947103866.db2.gz WFIWHDUPFITDOU-ZBFHGGJFSA-N 1 0 361.442 3.793 20 5 FHBDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000444679912 947104183 /nfs/dbraw/zinc/10/41/83/947104183.db2.gz WFIWHDUPFITDOU-HOCLYGCPSA-N 1 0 361.442 3.793 20 5 FHBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(N2CCCC2)c1 ZINC000444688578 947113594 /nfs/dbraw/zinc/11/35/94/947113594.db2.gz ZZYPLYWHPXROQN-CQSZACIVSA-N 1 0 365.437 3.922 20 5 FHBDRO Cc1ccc(F)c(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000444736866 947151926 /nfs/dbraw/zinc/15/19/26/947151926.db2.gz PPPVEEUGYKJDNE-UHFFFAOYSA-N 1 0 359.401 3.811 20 5 FHBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000236774758 947187084 /nfs/dbraw/zinc/18/70/84/947187084.db2.gz YDDKFTIAWUBVIA-MRXNPFEDSA-N 1 0 361.829 3.801 20 5 FHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000523531474 947339923 /nfs/dbraw/zinc/33/99/23/947339923.db2.gz DTFVYHXIJKAAFJ-JTDSTZFVSA-N 1 0 373.497 3.736 20 5 FHBDRO CCOc1ccc(C(=O)Nc2ccc(C)cc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000072839662 947570416 /nfs/dbraw/zinc/57/04/16/947570416.db2.gz RFUWMARBYMKAQK-UHFFFAOYSA-N 1 0 357.410 3.616 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)c(NC2CC[NH+]([C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000613884735 947696487 /nfs/dbraw/zinc/69/64/87/947696487.db2.gz YZQWWZWQHXCMHT-LLVKDONJSA-N 1 0 360.241 3.567 20 5 FHBDRO Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000536378808 947851659 /nfs/dbraw/zinc/85/16/59/947851659.db2.gz MUSQUASIQSIDTH-UZLBHIALSA-N 1 0 355.438 3.538 20 5 FHBDRO CCOCCOCc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000266856257 948032813 /nfs/dbraw/zinc/03/28/13/948032813.db2.gz KADUZNWKLKANNO-INIZCTEOSA-N 1 0 358.438 3.999 20 5 FHBDRO CCc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001126286500 948059590 /nfs/dbraw/zinc/05/95/90/948059590.db2.gz QKZAEHDHAMHWNN-IBGZPJMESA-N 1 0 367.449 3.552 20 5 FHBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000032217019 948150890 /nfs/dbraw/zinc/15/08/90/948150890.db2.gz ZTFOMTMCHWNCKY-SFHVURJKSA-N 1 0 373.840 3.815 20 5 FHBDRO O=[N+]([O-])c1cccc2c(NCC[N@@H+]3CCc4sccc4C3)ccnc21 ZINC000432339448 948155298 /nfs/dbraw/zinc/15/52/98/948155298.db2.gz IMQCJJGTGDRZMS-UHFFFAOYSA-N 1 0 354.435 3.675 20 5 FHBDRO CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000585726673 948240567 /nfs/dbraw/zinc/24/05/67/948240567.db2.gz ZLCSZCXMNAVEPO-OAHLLOKOSA-N 1 0 356.348 3.625 20 5 FHBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(C)(C)c1ccccc1 ZINC000585754417 948265815 /nfs/dbraw/zinc/26/58/15/948265815.db2.gz NTSSTWWLWBCUDQ-UHFFFAOYSA-N 1 0 369.421 3.760 20 5 FHBDRO CN(CCCC[NH+](C)C)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000585807865 948335873 /nfs/dbraw/zinc/33/58/73/948335873.db2.gz CFJDFAGIMATUFD-UHFFFAOYSA-N 1 0 350.463 3.698 20 5 FHBDRO CC1(C)C[C@@H]([NH2+]Cc2cccnc2-n2cccn2)c2cc([N+](=O)[O-])ccc21 ZINC000279010501 948395027 /nfs/dbraw/zinc/39/50/27/948395027.db2.gz GWGGSVBRNRUQOQ-GOSISDBHSA-N 1 0 363.421 3.688 20 5 FHBDRO Cc1sc(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000107195888 948421875 /nfs/dbraw/zinc/42/18/75/948421875.db2.gz BKHYWSOLBPCCOW-UHFFFAOYSA-N 1 0 363.439 3.548 20 5 FHBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000120403574 948494348 /nfs/dbraw/zinc/49/43/48/948494348.db2.gz KOVURFDMBLZMFX-HUUCEWRRSA-N 1 0 372.469 3.564 20 5 FHBDRO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000452865214 567833596 /nfs/dbraw/zinc/83/35/96/567833596.db2.gz WRDDJIPMMPCVGI-IBGZPJMESA-N 1 0 367.449 3.676 20 5 FHBDRO COC1CCC(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602573877 567996412 /nfs/dbraw/zinc/99/64/12/567996412.db2.gz WKBYCQAUFJIGRH-UHFFFAOYSA-N 1 0 363.277 3.714 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602887570 568006229 /nfs/dbraw/zinc/00/62/29/568006229.db2.gz OCNMMDGVVIOHOT-HNNXBMFYSA-N 1 0 364.405 3.536 20 5 FHBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000568317280 568023811 /nfs/dbraw/zinc/02/38/11/568023811.db2.gz NBNSBGOAOQOYMC-AWEZNQCLSA-N 1 0 371.412 3.820 20 5 FHBDRO COc1cc(C[N@@H+]2CC[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490341105 568031975 /nfs/dbraw/zinc/03/19/75/568031975.db2.gz OYQGUCWWXNAGET-LBPRGKRZSA-N 1 0 358.385 3.725 20 5 FHBDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000568448370 568039326 /nfs/dbraw/zinc/03/93/26/568039326.db2.gz IOWMYBMINORMKJ-MRXNPFEDSA-N 1 0 371.437 3.593 20 5 FHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000568532824 568047865 /nfs/dbraw/zinc/04/78/65/568047865.db2.gz FHDUIOQWGMMCQQ-FXIGXVRNSA-N 1 0 357.454 3.521 20 5 FHBDRO O=[N+]([O-])c1ccccc1CNCc1c(F)ccc(C2OCCO2)c1Cl ZINC000291110285 568047991 /nfs/dbraw/zinc/04/79/91/568047991.db2.gz KJBNAHSLQYIFLT-UHFFFAOYSA-N 1 0 366.776 3.723 20 5 FHBDRO Cc1c(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000481617957 568068599 /nfs/dbraw/zinc/06/85/99/568068599.db2.gz YJIWYLDMDQBIET-UHFFFAOYSA-N 1 0 358.413 3.612 20 5 FHBDRO COc1ccc(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)cc1[N+](=O)[O-] ZINC000481725567 568098219 /nfs/dbraw/zinc/09/82/19/568098219.db2.gz KSTKHAFSFFMFQJ-FQEVSTJZSA-N 1 0 354.406 3.625 20 5 FHBDRO COc1ccc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(OC)c1 ZINC000481737756 568099902 /nfs/dbraw/zinc/09/99/02/568099902.db2.gz PSINFYUIOCPIPG-IBGZPJMESA-N 1 0 370.449 3.765 20 5 FHBDRO CNC(=O)C[C@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000481812225 568128965 /nfs/dbraw/zinc/12/89/65/568128965.db2.gz DOVKACDGJIETLE-SFHVURJKSA-N 1 0 355.438 3.685 20 5 FHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2c[nH]c3ccc(F)cc23)n1 ZINC000482005623 568226358 /nfs/dbraw/zinc/22/63/58/568226358.db2.gz KMLHFPYWNCRQJC-ZWKOTPCHSA-N 1 0 371.416 3.728 20 5 FHBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCN(c3ccccc3)CC2)cc1 ZINC000302926170 568243954 /nfs/dbraw/zinc/24/39/54/568243954.db2.gz AOFCPZQHGZQMSY-UHFFFAOYSA-N 1 0 355.438 3.576 20 5 FHBDRO CCC[C@H]([NH2+][C@@H](CC(=O)NC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000482079206 568254937 /nfs/dbraw/zinc/25/49/37/568254937.db2.gz UEEXVJFAIPPAFW-OALUTQOASA-N 1 0 355.438 3.903 20 5 FHBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC3(CCC3)[C@H]2c2ccccc2)c1 ZINC000453023916 568255528 /nfs/dbraw/zinc/25/55/28/568255528.db2.gz SBTLSFZKNYHGDU-AZUAARDMSA-N 1 0 368.433 3.562 20 5 FHBDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000569219205 568313418 /nfs/dbraw/zinc/31/34/18/568313418.db2.gz ZEPDPWKNXBVGNP-FDQLTWNHSA-N 1 0 368.433 3.618 20 5 FHBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCC[C@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000569825980 568427948 /nfs/dbraw/zinc/42/79/48/568427948.db2.gz PFBPZFIQZISHRW-SJORKVTESA-N 1 0 359.470 3.741 20 5 FHBDRO COC[C@]1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)OCCc2ccccc21 ZINC000570889118 568611755 /nfs/dbraw/zinc/61/17/55/568611755.db2.gz JROOOTLGDWQAAN-KKSFZXQISA-N 1 0 370.449 3.668 20 5 FHBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(Cl)c1 ZINC001164624676 719054999 /nfs/dbraw/zinc/05/49/99/719054999.db2.gz OUGUICJUVQIIQE-MAUKXSAKSA-N 1 0 372.856 3.744 20 5 FHBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC4(C3)CC[N@H+](CC3CC3)C4)c2c1 ZINC001164769620 721299092 /nfs/dbraw/zinc/29/90/92/721299092.db2.gz KDONBXXAEIJDAD-UHFFFAOYSA-N 1 0 372.856 3.719 20 5 FHBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165048645 721973118 /nfs/dbraw/zinc/97/31/18/721973118.db2.gz JXOOWYXGZJZEML-QGZVFWFLSA-N 1 0 354.454 3.988 20 5 FHBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(F)cc1 ZINC000516616599 945069141 /nfs/dbraw/zinc/06/91/41/945069141.db2.gz LQVAQCMVKHBZPY-KSSFIOAISA-N 1 0 362.401 3.557 20 5 FHBDRO CC1(C)[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]2CCO[C@@H]21 ZINC000153934562 927564958 /nfs/dbraw/zinc/56/49/58/927564958.db2.gz YGSSLFSMOZCVIE-OAGGEKHMSA-N 1 0 359.451 3.621 20 5 FHBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC000728550009 937178806 /nfs/dbraw/zinc/17/88/06/937178806.db2.gz QSXYVHKHPHOUQN-XFXZXTDPSA-N 1 0 367.449 3.507 20 5 FHBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000728550006 937178873 /nfs/dbraw/zinc/17/88/73/937178873.db2.gz QSXYVHKHPHOUQN-FMIVXFBMSA-N 1 0 367.449 3.507 20 5 FHBDRO CCCCNC(=O)c1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000583153762 937179180 /nfs/dbraw/zinc/17/91/80/937179180.db2.gz RWMQRCZVTHGDOX-IBGZPJMESA-N 1 0 367.449 3.902 20 5 FHBDRO C[C@H]([NH2+]C1(CNC(=O)c2ccccc2[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000109697579 927719563 /nfs/dbraw/zinc/71/95/63/927719563.db2.gz BQXVCVXZNAZZPK-INIZCTEOSA-N 1 0 367.449 3.988 20 5 FHBDRO CSC[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000430191573 927732679 /nfs/dbraw/zinc/73/26/79/927732679.db2.gz GUJGFEQEJMRRDX-AWEZNQCLSA-N 1 0 360.483 3.570 20 5 FHBDRO CSC[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000430191575 927733102 /nfs/dbraw/zinc/73/31/02/927733102.db2.gz GUJGFEQEJMRRDX-CQSZACIVSA-N 1 0 360.483 3.570 20 5 FHBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(CC)CC ZINC000187054598 927877112 /nfs/dbraw/zinc/87/71/12/927877112.db2.gz MBHUQULTQLUUSC-JKSUJKDBSA-N 1 0 374.441 3.718 20 5 FHBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(CC)CC ZINC000187054578 927877649 /nfs/dbraw/zinc/87/76/49/927877649.db2.gz MBHUQULTQLUUSC-HZPDHXFCSA-N 1 0 374.441 3.718 20 5 FHBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccc2c(c1)OCCO2 ZINC000430198105 927905612 /nfs/dbraw/zinc/90/56/12/927905612.db2.gz XTWPDNPEOZONSR-MRXNPFEDSA-N 1 0 358.394 3.616 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000430203834 928002518 /nfs/dbraw/zinc/00/25/18/928002518.db2.gz JJGUYZPJHUEQEO-OXJNMPFZSA-N 1 0 369.465 3.604 20 5 FHBDRO C[C@@]1(c2ccccc2)CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000510092933 928129424 /nfs/dbraw/zinc/12/94/24/928129424.db2.gz VPZBZMQFWCLNGT-OAQYLSRUSA-N 1 0 367.449 3.638 20 5 FHBDRO CC[NH+](CC)CCS[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000083092812 928161074 /nfs/dbraw/zinc/16/10/74/928161074.db2.gz CZHBVPQQTYJZSC-LLVKDONJSA-N 1 0 359.879 3.650 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000430218525 928236011 /nfs/dbraw/zinc/23/60/11/928236011.db2.gz MFWYBELWVZADBW-FQEVSTJZSA-N 1 0 372.421 3.862 20 5 FHBDRO COc1cccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000157567247 928266563 /nfs/dbraw/zinc/26/65/63/928266563.db2.gz IFHSRPTVGAEXFQ-HOTGVXAUSA-N 1 0 355.438 3.781 20 5 FHBDRO COc1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)(C)C)cc1 ZINC000583227635 937257739 /nfs/dbraw/zinc/25/77/39/937257739.db2.gz XAYAWPWNAXAOHG-UHFFFAOYSA-N 1 0 371.437 3.503 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cccc4cccnc43)CC2)cc1 ZINC000120544376 928909921 /nfs/dbraw/zinc/90/99/21/928909921.db2.gz MWSRFWFVABWRNZ-UHFFFAOYSA-N 1 0 362.433 3.902 20 5 FHBDRO C[C@@H](C[C@@H](O)c1ccccc1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000120596248 929067007 /nfs/dbraw/zinc/06/70/07/929067007.db2.gz UICKXRFKUXRXFG-HRAATJIYSA-N 1 0 369.465 3.665 20 5 FHBDRO C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000165196147 929200509 /nfs/dbraw/zinc/20/05/09/929200509.db2.gz PQWXEEQXXWMTBV-MRXNPFEDSA-N 1 0 357.454 3.776 20 5 FHBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[NH2+]C1CCCCC1 ZINC000609852336 929607889 /nfs/dbraw/zinc/60/78/89/929607889.db2.gz HMBNIZGFQVLYGK-AWEZNQCLSA-N 1 0 365.499 3.504 20 5 FHBDRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000127133817 929788222 /nfs/dbraw/zinc/78/82/22/929788222.db2.gz GDGRIAQDNBQUPH-BIENSFFJSA-N 1 0 363.421 3.882 20 5 FHBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000579993621 929789295 /nfs/dbraw/zinc/78/92/95/929789295.db2.gz OIEGOSUAZBJCEV-HNNXBMFYSA-N 1 0 361.467 3.756 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175833441 929843251 /nfs/dbraw/zinc/84/32/51/929843251.db2.gz OUEYXTLQKNLQAR-ZBFHGGJFSA-N 1 0 362.451 3.753 20 5 FHBDRO Cc1ccc([C@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000175876827 930143715 /nfs/dbraw/zinc/14/37/15/930143715.db2.gz QAVBQYGVRVWDEV-INIZCTEOSA-N 1 0 361.829 3.589 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](CO)CC(F)(F)F)s1 ZINC000536005766 937387926 /nfs/dbraw/zinc/38/79/26/937387926.db2.gz LLJSDJMHMONESZ-JTQLQIEISA-N 1 0 360.357 3.726 20 5 FHBDRO Cc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(-c2cnn(C)c2)c1 ZINC000580050225 930179585 /nfs/dbraw/zinc/17/95/85/930179585.db2.gz TWEFWPJGOCRUAK-UHFFFAOYSA-N 1 0 364.449 3.978 20 5 FHBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N1c2ccccc2C[C@@H]1C ZINC000583390918 937398276 /nfs/dbraw/zinc/39/82/76/937398276.db2.gz FGOLROAQOLUINA-DEYYWGMASA-N 1 0 365.433 3.538 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000580132847 930292060 /nfs/dbraw/zinc/29/20/60/930292060.db2.gz GOWSNLPWRCUMHZ-IBGZPJMESA-N 1 0 370.453 3.890 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000580132848 930292185 /nfs/dbraw/zinc/29/21/85/930292185.db2.gz GOWSNLPWRCUMHZ-LJQANCHMSA-N 1 0 370.453 3.890 20 5 FHBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000583402570 937411100 /nfs/dbraw/zinc/41/11/00/937411100.db2.gz KWAFPMFCSPQQAB-ZFWWWQNUSA-N 1 0 363.487 3.676 20 5 FHBDRO COC1CCC([N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000265218177 930443883 /nfs/dbraw/zinc/44/38/83/930443883.db2.gz NOUUMMSLWCOOCL-UHFFFAOYSA-N 1 0 359.426 3.682 20 5 FHBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000109921603 930745813 /nfs/dbraw/zinc/74/58/13/930745813.db2.gz AKSUHWDNSHZBCD-OKILXGFUSA-N 1 0 372.469 3.562 20 5 FHBDRO CC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 ZINC000537029290 930773457 /nfs/dbraw/zinc/77/34/57/930773457.db2.gz OKTLWQXIHNDDLQ-QGZVFWFLSA-N 1 0 373.840 3.878 20 5 FHBDRO C[NH+](C)CCc1ccccc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000275923631 930913307 /nfs/dbraw/zinc/91/33/07/930913307.db2.gz XFXYTMYROVENIX-UHFFFAOYSA-N 1 0 368.437 3.526 20 5 FHBDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000610451892 931018561 /nfs/dbraw/zinc/01/85/61/931018561.db2.gz MIRKFRUFWVOAGO-INIZCTEOSA-N 1 0 357.429 3.830 20 5 FHBDRO C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312973113 931074516 /nfs/dbraw/zinc/07/45/16/931074516.db2.gz KQTWZENKQROESQ-GOEBONIOSA-N 1 0 365.437 3.794 20 5 FHBDRO Cc1ccc([C@@H](C)NC(=O)NCc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000175835834 931090194 /nfs/dbraw/zinc/09/01/94/931090194.db2.gz FAPHBSVNHVLPRB-OAHLLOKOSA-N 1 0 370.453 3.525 20 5 FHBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H]2c3ccccc3CC23CCOCC3)c1 ZINC000580825631 931234111 /nfs/dbraw/zinc/23/41/11/931234111.db2.gz BDYDHAFIGPTWOH-FQEVSTJZSA-N 1 0 368.433 3.657 20 5 FHBDRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000175873485 931423202 /nfs/dbraw/zinc/42/32/02/931423202.db2.gz ORTLDCMCEPEXLR-CVEARBPZSA-N 1 0 352.456 3.615 20 5 FHBDRO CC[N@H+](C)[C@H](C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000177875416 931431136 /nfs/dbraw/zinc/43/11/36/931431136.db2.gz AOXBFOXNXIWJGZ-KXBFYZLASA-N 1 0 355.438 3.773 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2c3ccccc3CC23CCOCC3)cc1 ZINC000581040095 931512414 /nfs/dbraw/zinc/51/24/14/931512414.db2.gz HGWVKUBZSLOUIY-HXUWFJFHSA-N 1 0 352.434 3.821 20 5 FHBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000610475820 931545565 /nfs/dbraw/zinc/54/55/65/931545565.db2.gz VFRDQDONWGTXLJ-MRXNPFEDSA-N 1 0 368.437 3.723 20 5 FHBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC1(O)CCCCCC1 ZINC000187367014 931568816 /nfs/dbraw/zinc/56/88/16/931568816.db2.gz CVPFCPABJBPKFO-UHFFFAOYSA-N 1 0 373.453 3.809 20 5 FHBDRO CCN(Cc1ccncc1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000157800105 931601603 /nfs/dbraw/zinc/60/16/03/931601603.db2.gz GIBCGECYURYGHK-UHFFFAOYSA-N 1 0 350.216 3.774 20 5 FHBDRO COc1ccc(OC)c(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000177955579 931737460 /nfs/dbraw/zinc/73/74/60/931737460.db2.gz IUWCZBBIJOPLAP-LJQANCHMSA-N 1 0 370.449 3.765 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505498 932026879 /nfs/dbraw/zinc/02/68/79/932026879.db2.gz MRBMEFNETYRKEY-KRWDZBQOSA-N 1 0 373.384 3.518 20 5 FHBDRO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000610582658 932072918 /nfs/dbraw/zinc/07/29/18/932072918.db2.gz ILRJHZUTSFKOMY-FSPWUOQZSA-N 1 0 359.426 3.762 20 5 FHBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1csc(Br)c1 ZINC000064994436 932343736 /nfs/dbraw/zinc/34/37/36/932343736.db2.gz GYBHCBKJFJYMSS-UHFFFAOYSA-N 1 0 371.256 3.930 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134610310 932534614 /nfs/dbraw/zinc/53/46/14/932534614.db2.gz GHIYAWCFECMRRA-ZDUSSCGKSA-N 1 0 353.850 3.633 20 5 FHBDRO C/C(=C/C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000785071713 932834331 /nfs/dbraw/zinc/83/43/31/932834331.db2.gz XNTXJNRLVGMSLN-KWRJMZDGSA-N 1 0 371.412 3.556 20 5 FHBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000178202573 932842294 /nfs/dbraw/zinc/84/22/94/932842294.db2.gz ILSDQKOJTFYRSJ-CYBMUJFWSA-N 1 0 367.327 3.692 20 5 FHBDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001167487428 932850054 /nfs/dbraw/zinc/85/00/54/932850054.db2.gz LXSWMKFFXKYXNH-WDEREUQCSA-N 1 0 350.806 3.919 20 5 FHBDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000247382375 932856280 /nfs/dbraw/zinc/85/62/80/932856280.db2.gz LNBHZBMWFZWFBW-MAUKXSAKSA-N 1 0 373.478 3.778 20 5 FHBDRO O=C(C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000178206678 932880069 /nfs/dbraw/zinc/88/00/69/932880069.db2.gz IXZNUFPXKXBYNY-DLBZAZTESA-N 1 0 353.422 3.534 20 5 FHBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000588435604 932932242 /nfs/dbraw/zinc/93/22/42/932932242.db2.gz HKGWAQMXICSBGC-XXTMNZORSA-N 1 0 369.421 3.544 20 5 FHBDRO COc1cccc([C@@H](CNc2cc(C)c([N+](=O)[O-])cn2)[NH+]2CCCC2)c1 ZINC000074726135 933076783 /nfs/dbraw/zinc/07/67/83/933076783.db2.gz FUDPOMMMXCNVTI-GOSISDBHSA-N 1 0 356.426 3.556 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000510542218 933204380 /nfs/dbraw/zinc/20/43/80/933204380.db2.gz XZGHYKYCZLGJPX-HNAYVOBHSA-N 1 0 355.438 3.633 20 5 FHBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000510548156 933212766 /nfs/dbraw/zinc/21/27/66/933212766.db2.gz QDAXHDSBCQYEMN-HRAATJIYSA-N 1 0 369.465 3.643 20 5 FHBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1C)[NH+](C)C ZINC000510553498 933218666 /nfs/dbraw/zinc/21/86/66/933218666.db2.gz RWEOLHNXJVTXGP-IIBYNOLFSA-N 1 0 369.465 3.562 20 5 FHBDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000510641968 933347548 /nfs/dbraw/zinc/34/75/48/933347548.db2.gz XEBAXKOJOBGFSY-MRXNPFEDSA-N 1 0 366.421 3.968 20 5 FHBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430932136 933427411 /nfs/dbraw/zinc/42/74/11/933427411.db2.gz YCXSLQZOGIQKIN-LJQANCHMSA-N 1 0 370.449 3.697 20 5 FHBDRO O=C(C[C@@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000430988927 933626944 /nfs/dbraw/zinc/62/69/44/933626944.db2.gz NICXZEBOBVEROQ-AWEZNQCLSA-N 1 0 360.435 3.773 20 5 FHBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000065142441 934219286 /nfs/dbraw/zinc/21/92/86/934219286.db2.gz IZRCDGJDZPWMEP-BETUJISGSA-N 1 0 367.877 3.735 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000119424483 934508064 /nfs/dbraw/zinc/50/80/64/934508064.db2.gz CNBNLCWQFCPILC-HNNXBMFYSA-N 1 0 371.437 3.500 20 5 FHBDRO COc1ccc(COCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000610864862 934540130 /nfs/dbraw/zinc/54/01/30/934540130.db2.gz IKUINIVSDVEBQB-UHFFFAOYSA-N 1 0 356.422 3.785 20 5 FHBDRO O=[N+]([O-])c1cc(C[NH2+]CCCn2cccn2)ccc1Oc1ccc(F)cc1 ZINC000098162691 934583097 /nfs/dbraw/zinc/58/30/97/934583097.db2.gz CSQJFWHFGNYGBZ-UHFFFAOYSA-N 1 0 370.384 3.903 20 5 FHBDRO Cc1c(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000561903867 934809735 /nfs/dbraw/zinc/80/97/35/934809735.db2.gz BQPOXENZHCWCCU-DOTOQJQBSA-N 1 0 358.463 3.904 20 5 FHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc(CC(F)(F)F)s1 ZINC000894391252 945071111 /nfs/dbraw/zinc/07/11/11/945071111.db2.gz OHSKYJLILIXGCM-UHFFFAOYSA-N 1 0 359.373 3.831 20 5 FHBDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000539224193 935098059 /nfs/dbraw/zinc/09/80/59/935098059.db2.gz ASDXUQUZRSKCKL-OAHLLOKOSA-N 1 0 371.437 3.696 20 5 FHBDRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000539230283 935098162 /nfs/dbraw/zinc/09/81/62/935098162.db2.gz UVQJFHFRYNAVTC-CQSZACIVSA-N 1 0 357.410 3.591 20 5 FHBDRO C[C@@H]([NH2+][C@@H](C)C(C)(C)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000539254703 935117825 /nfs/dbraw/zinc/11/78/25/935117825.db2.gz RCFISNJMGNEZHB-CABCVRRESA-N 1 0 355.438 3.878 20 5 FHBDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000157729470 935171209 /nfs/dbraw/zinc/17/12/09/935171209.db2.gz YPUCAXWRGQCGSC-OCCSQVGLSA-N 1 0 373.457 3.533 20 5 FHBDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000157729725 935171255 /nfs/dbraw/zinc/17/12/55/935171255.db2.gz YPUCAXWRGQCGSC-TZMCWYRMSA-N 1 0 373.457 3.533 20 5 FHBDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000157789579 935197715 /nfs/dbraw/zinc/19/77/15/935197715.db2.gz BSOLMTWYBBLMSD-OCCSQVGLSA-N 1 0 373.457 3.533 20 5 FHBDRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000072035427 935229722 /nfs/dbraw/zinc/22/97/22/935229722.db2.gz FYAMYCKZVHPYLM-KRWDZBQOSA-N 1 0 353.422 3.754 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000072064372 935264494 /nfs/dbraw/zinc/26/44/94/935264494.db2.gz YLRDKKMIVCXPBD-UHFFFAOYSA-N 1 0 369.465 3.540 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ncccc3Cl)C2)cc1[N+](=O)[O-] ZINC000119957290 935361538 /nfs/dbraw/zinc/36/15/38/935361538.db2.gz WBFPTSZSAXOCKQ-HIFRSBDPSA-N 1 0 360.845 3.881 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2nc(CN3CCC([NH2+]C4CCCC4)CC3)co2)cc1 ZINC000119955344 935361695 /nfs/dbraw/zinc/36/16/95/935361695.db2.gz KJFQBYFYJGFQSK-UHFFFAOYSA-N 1 0 370.453 3.746 20 5 FHBDRO COc1cc(C[NH2+]CCc2cc3ccccc3s2)c([N+](=O)[O-])cc1O ZINC000582170018 935368904 /nfs/dbraw/zinc/36/89/04/935368904.db2.gz LQAYUOJOAYJGTF-UHFFFAOYSA-N 1 0 358.419 3.856 20 5 FHBDRO Cn1nccc1C1=CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000582293360 935498162 /nfs/dbraw/zinc/49/81/62/935498162.db2.gz CYBPVJQJBXDBHX-UHFFFAOYSA-N 1 0 364.405 3.878 20 5 FHBDRO Cc1c(F)cccc1NC(=O)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511124962 935699851 /nfs/dbraw/zinc/69/98/51/935699851.db2.gz NAJSOYKDDVRZNF-UHFFFAOYSA-N 1 0 359.401 3.545 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)n1 ZINC000611617006 935815697 /nfs/dbraw/zinc/81/56/97/935815697.db2.gz VPJDULBQNBHEMB-KRWDZBQOSA-N 1 0 354.454 3.707 20 5 FHBDRO CCc1ccc([C@H](CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000176683220 935843876 /nfs/dbraw/zinc/84/38/76/935843876.db2.gz QOVFDWRJNCDCRG-SFHVURJKSA-N 1 0 373.428 3.637 20 5 FHBDRO Cc1cccnc1C(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000562091188 935861109 /nfs/dbraw/zinc/86/11/09/935861109.db2.gz KCAUJPCTIDUOMQ-HNNXBMFYSA-N 1 0 370.453 3.583 20 5 FHBDRO Cc1noc(C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c2ccccc2)n1 ZINC000563419879 935882579 /nfs/dbraw/zinc/88/25/79/935882579.db2.gz ZVOQMGJWUZTKAS-ROUUACIJSA-N 1 0 364.405 3.847 20 5 FHBDRO Cn1ccnc1[C@H]([NH2+]C[C@H]1CC2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC000582664601 935920788 /nfs/dbraw/zinc/92/07/88/935920788.db2.gz JRKCSHJARGGAAH-IUSFWMAGSA-N 1 0 354.454 3.834 20 5 FHBDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000480022365 935941878 /nfs/dbraw/zinc/94/18/78/935941878.db2.gz WUDRHZXVLYENBQ-LJQANCHMSA-N 1 0 368.437 3.627 20 5 FHBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277801272 935960764 /nfs/dbraw/zinc/96/07/64/935960764.db2.gz WHTFALAZNJIKHQ-CQSZACIVSA-N 1 0 351.450 3.554 20 5 FHBDRO Cc1nc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)ccc1[N+](=O)[O-] ZINC000431477946 935978660 /nfs/dbraw/zinc/97/86/60/935978660.db2.gz PAZCWOUMHFHCPT-UHFFFAOYSA-N 1 0 366.465 3.791 20 5 FHBDRO C[C@H]1C[C@H](N(C)C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC[N@@H+]1C ZINC000277876558 936076393 /nfs/dbraw/zinc/07/63/93/936076393.db2.gz CEMMSPXKJWZFNY-LSDHHAIUSA-N 1 0 363.461 3.648 20 5 FHBDRO COc1cc(OC)c(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000178654533 936085858 /nfs/dbraw/zinc/08/58/58/936085858.db2.gz XMTHYWZOMCUONE-ZDUSSCGKSA-N 1 0 360.410 3.514 20 5 FHBDRO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611939657 936096387 /nfs/dbraw/zinc/09/63/87/936096387.db2.gz SQRCFSGVDZQIPE-RYUDHWBXSA-N 1 0 362.817 3.629 20 5 FHBDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000611717356 936104690 /nfs/dbraw/zinc/10/46/90/936104690.db2.gz XRSWEMGWGNLASN-OAQYLSRUSA-N 1 0 364.449 3.982 20 5 FHBDRO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178681994 936173379 /nfs/dbraw/zinc/17/33/79/936173379.db2.gz RARKZFYTJPXAPB-IRXDYDNUSA-N 1 0 369.465 3.909 20 5 FHBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178682428 936174153 /nfs/dbraw/zinc/17/41/53/936174153.db2.gz ZDJOOJUYTXTUPG-UONOGXRCSA-N 1 0 357.410 3.590 20 5 FHBDRO C[C@@H]1C[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(C)(C)C1 ZINC000472269354 936206329 /nfs/dbraw/zinc/20/63/29/936206329.db2.gz VCCBZBPDCASUDE-LBPRGKRZSA-N 1 0 374.466 3.777 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000178684626 936206638 /nfs/dbraw/zinc/20/66/38/936206638.db2.gz FQJNGAPCJLTFNJ-NEPJUHHUSA-N 1 0 362.817 3.629 20 5 FHBDRO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178691629 936208957 /nfs/dbraw/zinc/20/89/57/936208957.db2.gz QZBRDUZQLAVTGH-LSDHHAIUSA-N 1 0 371.437 3.980 20 5 FHBDRO C[C@]1(O)CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000583456609 938261132 /nfs/dbraw/zinc/26/11/32/938261132.db2.gz NZTCETDFFXVZBK-SFHVURJKSA-N 1 0 362.813 3.997 20 5 FHBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H]1C ZINC000437260265 945174566 /nfs/dbraw/zinc/17/45/66/945174566.db2.gz SXLIOFPPOQULSH-FZMZJTMJSA-N 1 0 373.375 3.558 20 5 FHBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000437864168 945204426 /nfs/dbraw/zinc/20/44/26/945204426.db2.gz AAFRNRUMWJMGHV-HNNXBMFYSA-N 1 0 370.453 3.603 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H]3CCCC[C@@H]3n3cccn3)co2)cc1 ZINC000128260914 938968260 /nfs/dbraw/zinc/96/82/60/938968260.db2.gz WKBXCHCUQQJAJD-MSOLQXFVSA-N 1 0 367.409 3.720 20 5 FHBDRO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611939658 938993672 /nfs/dbraw/zinc/99/36/72/938993672.db2.gz SQRCFSGVDZQIPE-VXGBXAGGSA-N 1 0 362.817 3.629 20 5 FHBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1N1CCOCC1 ZINC000179320530 939079982 /nfs/dbraw/zinc/07/99/82/939079982.db2.gz QRLPFCHCSRHDDM-UHFFFAOYSA-N 1 0 369.465 3.842 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC[C@H]1COc2ccccc2O1)C1CC1 ZINC000516776116 945244885 /nfs/dbraw/zinc/24/48/85/945244885.db2.gz RABRRKQMUYVCJD-ROUUACIJSA-N 1 0 368.433 3.736 20 5 FHBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000507464971 945253218 /nfs/dbraw/zinc/25/32/18/945253218.db2.gz DBIDSOFITGYWFV-ZDUSSCGKSA-N 1 0 359.426 3.581 20 5 FHBDRO COc1cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000511844852 945261472 /nfs/dbraw/zinc/26/14/72/945261472.db2.gz TVUGWBPCKSFLNP-DGCLKSJQSA-N 1 0 356.369 3.969 20 5 FHBDRO COc1cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000511844853 945261706 /nfs/dbraw/zinc/26/17/06/945261706.db2.gz TVUGWBPCKSFLNP-WCQYABFASA-N 1 0 356.369 3.969 20 5 FHBDRO O=C1O[C@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CN1c1ccccc1 ZINC000179520535 939881135 /nfs/dbraw/zinc/88/11/35/939881135.db2.gz UXGDNDQMTSEDAV-LJQANCHMSA-N 1 0 367.405 3.585 20 5 FHBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179758721 939931327 /nfs/dbraw/zinc/93/13/27/939931327.db2.gz AVBSHMFMRQBDEW-AWEZNQCLSA-N 1 0 369.421 3.673 20 5 FHBDRO C[C@@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000179774522 939933816 /nfs/dbraw/zinc/93/38/16/939933816.db2.gz XZBALHXYHMWQIB-GFCCVEGCSA-N 1 0 357.385 3.933 20 5 FHBDRO Cc1c(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000065857544 939988172 /nfs/dbraw/zinc/98/81/72/939988172.db2.gz QZBISWFGVKUWKX-MRXNPFEDSA-N 1 0 371.412 3.893 20 5 FHBDRO C[C@H]([NH2+]CC(=O)N1CCC[C@@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000364730800 939990731 /nfs/dbraw/zinc/99/07/31/939990731.db2.gz RHKBWBOEJWTZDM-XJKSGUPXSA-N 1 0 359.451 3.671 20 5 FHBDRO C[C@H]([NH2+]CCN1CCCC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000584474880 940007975 /nfs/dbraw/zinc/00/79/75/940007975.db2.gz LMIDOCKGRFQBTF-ZDUSSCGKSA-N 1 0 359.451 3.596 20 5 FHBDRO C[C@H]([NH2+]CCC(=O)N[C@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000411453857 940049601 /nfs/dbraw/zinc/04/96/01/940049601.db2.gz JZKWZJGKMCSTDR-YWZLYKJASA-N 1 0 367.449 3.829 20 5 FHBDRO CC(C)NC(=O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236635193 940099536 /nfs/dbraw/zinc/09/95/36/940099536.db2.gz YARBWBXTKPALOG-UHFFFAOYSA-N 1 0 365.817 3.513 20 5 FHBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000411742595 940105157 /nfs/dbraw/zinc/10/51/57/940105157.db2.gz DZBOCQBNEYTXIL-CABCVRRESA-N 1 0 373.375 3.976 20 5 FHBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000411888308 940154873 /nfs/dbraw/zinc/15/48/73/940154873.db2.gz QNCZNHMLYJLMLV-INIZCTEOSA-N 1 0 357.410 3.673 20 5 FHBDRO COc1cc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000136740516 940156651 /nfs/dbraw/zinc/15/66/51/940156651.db2.gz WPKWYBSAQPQDRU-HNNXBMFYSA-N 1 0 364.442 3.584 20 5 FHBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000612591734 940166101 /nfs/dbraw/zinc/16/61/01/940166101.db2.gz YVGOTPNENQNECY-CQSZACIVSA-N 1 0 365.499 3.698 20 5 FHBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000124474741 945302335 /nfs/dbraw/zinc/30/23/35/945302335.db2.gz BGXAYWKHWRLGHK-SGMGOOAPSA-N 1 0 373.375 3.941 20 5 FHBDRO COc1c(O)ccc(CN[C@@H]2CCSc3c(F)cccc32)c1[N+](=O)[O-] ZINC000892508019 940205881 /nfs/dbraw/zinc/20/58/81/940205881.db2.gz IKLRQRBUVOCNHW-CYBMUJFWSA-N 1 0 364.398 3.775 20 5 FHBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000111056401 945306127 /nfs/dbraw/zinc/30/61/27/945306127.db2.gz IHVIDGXRJRGCOC-CABCVRRESA-N 1 0 363.458 3.736 20 5 FHBDRO O=[N+]([O-])c1ccc(NCC2CCN(c3cc[nH+]cc3)CC2)c2ncccc12 ZINC000180042385 940303081 /nfs/dbraw/zinc/30/30/81/940303081.db2.gz GWKXMRAPVWBLAA-UHFFFAOYSA-N 1 0 363.421 3.867 20 5 FHBDRO Cc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)cc1[N+](=O)[O-] ZINC000235968735 940336250 /nfs/dbraw/zinc/33/62/50/940336250.db2.gz FBRKGBBCXMXHGW-NSHDSACASA-N 1 0 354.248 3.562 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000177845866 940462631 /nfs/dbraw/zinc/46/26/31/940462631.db2.gz WSZLGFNVSRPFPT-MRXNPFEDSA-N 1 0 367.449 3.990 20 5 FHBDRO COc1ccc([C@@H](C[NH+](C)C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000580459158 940478256 /nfs/dbraw/zinc/47/82/56/940478256.db2.gz FDHPIHWMFOVECZ-HNAYVOBHSA-N 1 0 357.454 3.865 20 5 FHBDRO CC(C)CC[NH+]1CCC(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000431808857 940625016 /nfs/dbraw/zinc/62/50/16/940625016.db2.gz CYVGQGRQJVGSBY-UHFFFAOYSA-N 1 0 374.485 3.650 20 5 FHBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000506798162 945335472 /nfs/dbraw/zinc/33/54/72/945335472.db2.gz MFJHMGHYYAXMSI-UHFFFAOYSA-N 1 0 357.429 3.879 20 5 FHBDRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000414242198 940823396 /nfs/dbraw/zinc/82/33/96/940823396.db2.gz HJTALVMHIIJGLS-YZVOILCLSA-N 1 0 358.442 3.548 20 5 FHBDRO CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000414250601 940834400 /nfs/dbraw/zinc/83/44/00/940834400.db2.gz BJVGFRBAMWSEOR-NWDGAFQWSA-N 1 0 361.364 3.880 20 5 FHBDRO C[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000414261526 940849196 /nfs/dbraw/zinc/84/91/96/940849196.db2.gz IECDJKPIXHWRTO-SMDDNHRTSA-N 1 0 356.348 3.596 20 5 FHBDRO C[C@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000414274704 940882970 /nfs/dbraw/zinc/88/29/70/940882970.db2.gz VJAQKHXYVYFFSN-FZMZJTMJSA-N 1 0 356.348 3.596 20 5 FHBDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000892608217 940941128 /nfs/dbraw/zinc/94/11/28/940941128.db2.gz NZAALYYSJIOIQD-MCIONIFRSA-N 1 0 374.359 3.595 20 5 FHBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccc(F)cc1F ZINC000472593758 941021487 /nfs/dbraw/zinc/02/14/87/941021487.db2.gz AQUAOVAAHMIPCW-CSMYWGQOSA-N 1 0 364.396 3.947 20 5 FHBDRO CCOc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000180688238 941064064 /nfs/dbraw/zinc/06/40/64/941064064.db2.gz LQOASAYAKIIDTC-CQSZACIVSA-N 1 0 357.410 3.673 20 5 FHBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000180825833 941082039 /nfs/dbraw/zinc/08/20/39/941082039.db2.gz SFYYZPZBIQUAJK-HNNXBMFYSA-N 1 0 373.478 3.624 20 5 FHBDRO O=C(CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000472607942 941084586 /nfs/dbraw/zinc/08/45/86/941084586.db2.gz OAFGGDDRAUTIDD-ZWKOTPCHSA-N 1 0 367.449 3.924 20 5 FHBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CCC[C@@H]2CCC(C)C)c([N+](=O)[O-])c1 ZINC000472609327 941091393 /nfs/dbraw/zinc/09/13/93/941091393.db2.gz LOTLDCXXYDRHRH-ZBFHGGJFSA-N 1 0 363.458 3.736 20 5 FHBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCCOC2CCOCC2)c2ccccc2)c1 ZINC000180916427 941092328 /nfs/dbraw/zinc/09/23/28/941092328.db2.gz YSOXYMYKZWICPN-OAQYLSRUSA-N 1 0 370.449 3.860 20 5 FHBDRO Cc1c(C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000311206922 941140100 /nfs/dbraw/zinc/14/01/00/941140100.db2.gz JRGDPKGSGLNVOJ-CYBMUJFWSA-N 1 0 351.447 3.686 20 5 FHBDRO Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000189096473 941145433 /nfs/dbraw/zinc/14/54/33/941145433.db2.gz VUYCADGAXOBFBQ-APWZRJJASA-N 1 0 367.449 3.663 20 5 FHBDRO CCOc1cc(C)ccc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000472622703 941150112 /nfs/dbraw/zinc/15/01/12/941150112.db2.gz LWDCYVQFEUFXQL-IAGOWNOFSA-N 1 0 358.442 3.772 20 5 FHBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC1(c2ccccc2)CC1 ZINC000189287027 941155353 /nfs/dbraw/zinc/15/53/53/941155353.db2.gz JQDQCXLKCMJQKT-HNNXBMFYSA-N 1 0 353.422 3.585 20 5 FHBDRO Cc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000189374682 941157899 /nfs/dbraw/zinc/15/78/99/941157899.db2.gz GNECXDFFZINXRZ-KBXCAEBGSA-N 1 0 369.421 3.734 20 5 FHBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000189498414 941159277 /nfs/dbraw/zinc/15/92/77/941159277.db2.gz JBPWMNNWNXGYRK-LSDHHAIUSA-N 1 0 362.455 3.799 20 5 FHBDRO C[NH+](C)[C@@H](CNc1cccnc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000613578486 941267510 /nfs/dbraw/zinc/26/75/10/941267510.db2.gz FFLQNIAGWYQOOO-AWEZNQCLSA-N 1 0 354.332 3.723 20 5 FHBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000311412195 941281833 /nfs/dbraw/zinc/28/18/33/941281833.db2.gz CGEAPPOZZFOWGZ-KRWDZBQOSA-N 1 0 355.438 3.928 20 5 FHBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(-n2cc(Cl)cn2)n1 ZINC000189898848 941296881 /nfs/dbraw/zinc/29/68/81/941296881.db2.gz NWWLONGJFOQLGJ-ZDUSSCGKSA-N 1 0 371.828 3.988 20 5 FHBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(-n2ccnc2)c1 ZINC000189913686 941299266 /nfs/dbraw/zinc/29/92/66/941299266.db2.gz GYOQBAZTEJJUSJ-OAHLLOKOSA-N 1 0 352.394 3.510 20 5 FHBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000311455056 941303630 /nfs/dbraw/zinc/30/36/30/941303630.db2.gz BVBICUAANYQSMR-MRXNPFEDSA-N 1 0 363.458 3.720 20 5 FHBDRO CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311495633 941314635 /nfs/dbraw/zinc/31/46/35/941314635.db2.gz VQJTXPATTIQGEI-INIZCTEOSA-N 1 0 373.840 3.595 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3C[C@H](C)O[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414516383 941370589 /nfs/dbraw/zinc/37/05/89/941370589.db2.gz OTUKKKIOWPGEBU-IHRRRGAJSA-N 1 0 360.410 3.767 20 5 FHBDRO Cc1c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000311833358 941392817 /nfs/dbraw/zinc/39/28/17/941392817.db2.gz MBFAPWVAIQSNPG-XJKSGUPXSA-N 1 0 363.458 3.638 20 5 FHBDRO O=[N+]([O-])c1cc(CN[C@H]2CCC[NH2+]C2)ccc1Oc1ccccc1Cl ZINC000414863363 941490879 /nfs/dbraw/zinc/49/08/79/941490879.db2.gz IODDIUXCAHRFJV-AWEZNQCLSA-N 1 0 361.829 3.882 20 5 FHBDRO Cc1cc(N2CCC3(CCC[N@H+]3C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549138601 941511263 /nfs/dbraw/zinc/51/12/63/941511263.db2.gz YYQXQCWGXSVZJZ-UHFFFAOYSA-N 1 0 357.376 3.987 20 5 FHBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000181541526 941547026 /nfs/dbraw/zinc/54/70/26/941547026.db2.gz BVVOBLNNMWFPRZ-STQMWFEESA-N 1 0 361.829 3.969 20 5 FHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000549157845 941551019 /nfs/dbraw/zinc/55/10/19/941551019.db2.gz QKYWUQSNWJEHFF-NRFANRHFSA-N 1 0 370.449 3.827 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cccc(-c4cccnc4)c3)nc2c1 ZINC000377260988 941600675 /nfs/dbraw/zinc/60/06/75/941600675.db2.gz GMDFEFGPZWNHFC-UHFFFAOYSA-N 1 0 359.389 3.823 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(CN3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000163711990 941613027 /nfs/dbraw/zinc/61/30/27/941613027.db2.gz IDVCEHLTQJMIBY-QGZVFWFLSA-N 1 0 369.465 3.586 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(CN3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000163712122 941614033 /nfs/dbraw/zinc/61/40/33/941614033.db2.gz IDVCEHLTQJMIBY-KRWDZBQOSA-N 1 0 369.465 3.586 20 5 FHBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000377282688 941617155 /nfs/dbraw/zinc/61/71/55/941617155.db2.gz IERZFERVAUQGMB-LBPRGKRZSA-N 1 0 364.421 3.523 20 5 FHBDRO CCc1ccc(C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000549195063 941624514 /nfs/dbraw/zinc/62/45/14/941624514.db2.gz ROACTSKKQXARNA-HXUWFJFHSA-N 1 0 370.449 3.562 20 5 FHBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415194291 941662488 /nfs/dbraw/zinc/66/24/88/941662488.db2.gz MUPXWQVUFKOBMZ-FZKQIMNGSA-N 1 0 370.409 3.507 20 5 FHBDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415190721 941665064 /nfs/dbraw/zinc/66/50/64/941665064.db2.gz ITQXTCWWOKBPHI-MRXNPFEDSA-N 1 0 370.409 3.603 20 5 FHBDRO C[C@@H]1C[C@H](NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC[NH2+]1 ZINC000415199720 941669508 /nfs/dbraw/zinc/66/95/08/941669508.db2.gz WHJOTRRGXDMQHR-UKRRQHHQSA-N 1 0 370.409 3.649 20 5 FHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000182334969 941736260 /nfs/dbraw/zinc/73/62/60/941736260.db2.gz PHBBNJVBYXOZDL-KGLIPLIRSA-N 1 0 357.410 3.590 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)o1 ZINC000091856041 941793632 /nfs/dbraw/zinc/79/36/32/941793632.db2.gz GVBFRMSTRKDSHX-FUHWJXTLSA-N 1 0 360.435 3.561 20 5 FHBDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000513227388 941798666 /nfs/dbraw/zinc/79/86/66/941798666.db2.gz BYBSRTRTCGJIOF-BEFAXECRSA-N 1 0 353.422 3.641 20 5 FHBDRO COc1ccccc1O[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000513374670 941883598 /nfs/dbraw/zinc/88/35/98/941883598.db2.gz BHTACVRNJQDXRA-CQSZACIVSA-N 1 0 360.385 3.786 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000513407096 941901378 /nfs/dbraw/zinc/90/13/78/941901378.db2.gz BDWXEXCWBMMSJP-QGZVFWFLSA-N 1 0 361.442 3.587 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000415583402 941926527 /nfs/dbraw/zinc/92/65/27/941926527.db2.gz QUGZHCVJBWWLHU-INIZCTEOSA-N 1 0 356.426 3.813 20 5 FHBDRO COc1ccc(-c2ccc(CN(C)[C@@H]3CC[N@@H+](C4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000513441782 941928113 /nfs/dbraw/zinc/92/81/13/941928113.db2.gz AYUDLBLDQRXHBX-OAHLLOKOSA-N 1 0 371.437 3.532 20 5 FHBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cc2ccccc2o1 ZINC000182627006 941940385 /nfs/dbraw/zinc/94/03/85/941940385.db2.gz GRUNRDQOLPZCQF-CYBMUJFWSA-N 1 0 365.389 3.581 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC2CC[NH+](C3CCC3)CC2)o1 ZINC000517550974 941952557 /nfs/dbraw/zinc/95/25/57/941952557.db2.gz ZAXSTYPFVFILBX-UHFFFAOYSA-N 1 0 355.438 3.961 20 5 FHBDRO Cc1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000182929736 942008563 /nfs/dbraw/zinc/00/85/63/942008563.db2.gz XAJJOZPHXUGESF-CABCVRRESA-N 1 0 360.458 3.678 20 5 FHBDRO CCCN(C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000415706977 942010821 /nfs/dbraw/zinc/01/08/21/942010821.db2.gz VXIAYYPTWWPYKN-UHFFFAOYSA-N 1 0 362.474 3.888 20 5 FHBDRO Cc1ccccc1C[C@@H](C)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501850434 942077565 /nfs/dbraw/zinc/07/75/65/942077565.db2.gz JVQOZGQOEYRTGO-MRXNPFEDSA-N 1 0 355.438 3.795 20 5 FHBDRO Cn1cc(C[N@@H+]2CCCc3ccccc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513723792 942115152 /nfs/dbraw/zinc/11/51/52/942115152.db2.gz ANRHUJGMARXRBB-UHFFFAOYSA-N 1 0 362.433 3.944 20 5 FHBDRO C[NH2+]Cc1ccccc1NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000415902746 942129671 /nfs/dbraw/zinc/12/96/71/942129671.db2.gz PHMRTIXYRZIPQF-QGZVFWFLSA-N 1 0 368.437 3.726 20 5 FHBDRO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501938223 942135742 /nfs/dbraw/zinc/13/57/42/942135742.db2.gz KWGKHAMELJRCTM-ZDUSSCGKSA-N 1 0 359.348 3.586 20 5 FHBDRO COc1ccc(C[NH+]2CCC(OCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000051181756 942209067 /nfs/dbraw/zinc/20/90/67/942209067.db2.gz IHFASTDOXMKTKB-UHFFFAOYSA-N 1 0 356.422 3.785 20 5 FHBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc(OC(F)F)cc1 ZINC000051212838 942257863 /nfs/dbraw/zinc/25/78/63/942257863.db2.gz QKEUKDNXIIUOFA-UHFFFAOYSA-N 1 0 352.337 3.707 20 5 FHBDRO CC[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](CC)O1 ZINC000420950075 942271669 /nfs/dbraw/zinc/27/16/69/942271669.db2.gz FZYPQPPBGZONMT-CALCHBBNSA-N 1 0 359.426 3.682 20 5 FHBDRO COc1c(C)cnc(CN(C)c2ncc([N+](=O)[O-])cc2C(F)(F)F)c1C ZINC000413093829 942284210 /nfs/dbraw/zinc/28/42/10/942284210.db2.gz OQEJAAKBPRWQBG-UHFFFAOYSA-N 1 0 370.331 3.665 20 5 FHBDRO CC(C)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1F ZINC000501102949 942308564 /nfs/dbraw/zinc/30/85/64/942308564.db2.gz VCQUQLSWSZPRSJ-UHFFFAOYSA-N 1 0 359.401 3.973 20 5 FHBDRO CC(C)(C)C1=CC[N@H+](CCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000501140481 942326390 /nfs/dbraw/zinc/32/63/90/942326390.db2.gz QHYDNHZEZBEKKO-UHFFFAOYSA-N 1 0 373.497 3.667 20 5 FHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCC(C)(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000481086765 942328415 /nfs/dbraw/zinc/32/84/15/942328415.db2.gz CGIUQRJEDBOJFP-YDHLFZDLSA-N 1 0 363.458 3.735 20 5 FHBDRO Cc1ccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000063388480 942351144 /nfs/dbraw/zinc/35/11/44/942351144.db2.gz CJOHDUVODQVQSO-UHFFFAOYSA-N 1 0 360.458 3.679 20 5 FHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000549407155 942465214 /nfs/dbraw/zinc/46/52/14/942465214.db2.gz BHXOPAYSINHAIP-UHFFFAOYSA-N 1 0 372.375 3.938 20 5 FHBDRO Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000513821867 942539660 /nfs/dbraw/zinc/53/96/60/942539660.db2.gz RPCFQZLKDIRJQP-NZSAHSFTSA-N 1 0 368.481 3.978 20 5 FHBDRO Cc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)ccc1[N+](=O)[O-] ZINC000425082187 942675375 /nfs/dbraw/zinc/67/53/75/942675375.db2.gz OIRKTEVJMFYMJU-UHFFFAOYSA-N 1 0 374.466 3.769 20 5 FHBDRO Cc1ccn(C2CCN(Cc3cc([N+](=O)[O-])ccc3OC(C)C)CC2)n1 ZINC000434498751 942724260 /nfs/dbraw/zinc/72/42/60/942724260.db2.gz UXNNKEXYJOVPFI-UHFFFAOYSA-N 1 0 358.442 3.724 20 5 FHBDRO COCc1nccc([C@@H]2CCC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000378507412 942836246 /nfs/dbraw/zinc/83/62/46/942836246.db2.gz UWVNTSLXVBOBFB-JKSUJKDBSA-N 1 0 370.453 3.780 20 5 FHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000434733739 942900538 /nfs/dbraw/zinc/90/05/38/942900538.db2.gz CVOBMNWWNQFKRI-SYNHAJSKSA-N 1 0 354.454 3.676 20 5 FHBDRO Cn1ccnc1[C@@H]([NH2+]CC1CCC(F)(F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000503054011 942952381 /nfs/dbraw/zinc/95/23/81/942952381.db2.gz WQBZTGOZVYGSKR-INIZCTEOSA-N 1 0 364.396 3.833 20 5 FHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1cccc2[nH]ccc21 ZINC000503074907 942958016 /nfs/dbraw/zinc/95/80/16/942958016.db2.gz LEBZNJFIBLXABN-AWEZNQCLSA-N 1 0 366.421 3.626 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCCN3C3CC3)o2)cc1 ZINC000434782929 942962246 /nfs/dbraw/zinc/96/22/46/942962246.db2.gz HVJUHAVJSCCSJP-SFHVURJKSA-N 1 0 355.438 3.961 20 5 FHBDRO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000434792979 942970836 /nfs/dbraw/zinc/97/08/36/942970836.db2.gz GNJFRRJAVMMPRI-OALUTQOASA-N 1 0 354.406 3.516 20 5 FHBDRO CC(=O)c1cc(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000425230770 943025927 /nfs/dbraw/zinc/02/59/27/943025927.db2.gz DBCHURGZUMGSEM-CQSZACIVSA-N 1 0 368.437 3.830 20 5 FHBDRO C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000505574831 943063271 /nfs/dbraw/zinc/06/32/71/943063271.db2.gz LUULZZUTCKPPDD-HNAYVOBHSA-N 1 0 369.465 3.680 20 5 FHBDRO COc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000312298647 943121976 /nfs/dbraw/zinc/12/19/76/943121976.db2.gz NGPRZZAERKTZGE-HOCLYGCPSA-N 1 0 371.437 3.687 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@H](Oc4ccncc4)C3)o2)c1 ZINC000435055204 943127434 /nfs/dbraw/zinc/12/74/34/943127434.db2.gz GXDKWXCKKYIMDN-LJQANCHMSA-N 1 0 365.389 3.903 20 5 FHBDRO C[C@H]1C[C@]1([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000503380226 943156295 /nfs/dbraw/zinc/15/62/95/943156295.db2.gz VUJKMJLYFHCPLX-KPZWWZAWSA-N 1 0 359.813 3.712 20 5 FHBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503380814 943157507 /nfs/dbraw/zinc/15/75/07/943157507.db2.gz WJBFINNJOUQVBT-CQSZACIVSA-N 1 0 358.417 3.646 20 5 FHBDRO C[C@H](COCC(F)(F)F)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513787169 943158203 /nfs/dbraw/zinc/15/82/03/943158203.db2.gz USSDQYMYUPZEGJ-IPYPFGDCSA-N 1 0 360.376 3.863 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000503401472 943163484 /nfs/dbraw/zinc/16/34/84/943163484.db2.gz CKRQPCNFKYHUQA-KBPBESRZSA-N 1 0 365.499 3.652 20 5 FHBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc4ccccc4c4cccnc34)C2)C1 ZINC000505681184 943368288 /nfs/dbraw/zinc/36/82/88/943368288.db2.gz IKEFCVQDKQQXLW-QHCPKHFHSA-N 1 0 359.473 3.946 20 5 FHBDRO [NH3+]C[C@H]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000435383527 943371149 /nfs/dbraw/zinc/37/11/49/943371149.db2.gz HQQFLNIUDOHFRK-CQSZACIVSA-N 1 0 361.829 3.821 20 5 FHBDRO [NH3+]C1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000435392932 943380331 /nfs/dbraw/zinc/38/03/31/943380331.db2.gz CXSUWVXAXUWHQX-UHFFFAOYSA-N 1 0 361.829 3.964 20 5 FHBDRO COc1cccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]2CCCO2)c1 ZINC000053221430 943382322 /nfs/dbraw/zinc/38/23/22/943382322.db2.gz OBCXHWRKWYIPLZ-HXUWFJFHSA-N 1 0 356.422 3.785 20 5 FHBDRO C[C@H]([NH2+][C@@H](Cn1ccccc1=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000503947462 943430846 /nfs/dbraw/zinc/43/08/46/943430846.db2.gz LUIDOJWFUXOCFM-JXFKEZNVSA-N 1 0 363.417 3.849 20 5 FHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000423351626 943486956 /nfs/dbraw/zinc/48/69/56/943486956.db2.gz IPVJGKHQUVGNOI-BFUOFWGJSA-N 1 0 368.437 3.561 20 5 FHBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)CC(C)C ZINC000515095890 943501141 /nfs/dbraw/zinc/50/11/41/943501141.db2.gz VQSHSMFIBYBYSU-CQSZACIVSA-N 1 0 354.426 3.612 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC3(CCOCC3)[C@H]1O)CCCC2 ZINC000417316287 943502920 /nfs/dbraw/zinc/50/29/20/943502920.db2.gz APWUVKYDQOWBNC-DBVUQKKJSA-N 1 0 374.481 3.520 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC3(CCOCC3)[C@@H]1O)CCCC2 ZINC000417316289 943503046 /nfs/dbraw/zinc/50/30/46/943503046.db2.gz APWUVKYDQOWBNC-PWIZWCRZSA-N 1 0 374.481 3.520 20 5 FHBDRO Cc1ccccc1[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000584736938 943505172 /nfs/dbraw/zinc/50/51/72/943505172.db2.gz IIKLTGNBKCCUJD-FQEVSTJZSA-N 1 0 353.422 3.973 20 5 FHBDRO O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CCC[N@@H+]3C3CCCCC3)cc2N1 ZINC000435600784 943519961 /nfs/dbraw/zinc/51/99/61/943519961.db2.gz GDKFYRSHKOUJNH-MRXNPFEDSA-N 1 0 372.469 3.689 20 5 FHBDRO CC(C)[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[NH+]1CCC(C)CC1 ZINC000515172200 943530222 /nfs/dbraw/zinc/53/02/22/943530222.db2.gz TZXSFLHSLWMWHT-KRWDZBQOSA-N 1 0 373.453 3.827 20 5 FHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000566476019 943571359 /nfs/dbraw/zinc/57/13/59/943571359.db2.gz SCDXEGUKPSNJTM-DIOULYMOSA-N 1 0 358.360 3.655 20 5 FHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000435729773 943572796 /nfs/dbraw/zinc/57/27/96/943572796.db2.gz VMDPUAGSNHGBAA-IMZBMNNASA-N 1 0 371.481 3.769 20 5 FHBDRO C[C@@H](CCC[NH3+])NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000423677936 943596355 /nfs/dbraw/zinc/59/63/55/943596355.db2.gz IDNRFESXCVLERH-ZDUSSCGKSA-N 1 0 359.451 3.603 20 5 FHBDRO CC(C)(C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH3+])c1ccccc1 ZINC000423840491 943626969 /nfs/dbraw/zinc/62/69/69/943626969.db2.gz IUQBZMGJZNWJRD-MRXNPFEDSA-N 1 0 361.829 3.591 20 5 FHBDRO CC(C)c1ccc(C(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423968338 943651670 /nfs/dbraw/zinc/65/16/70/943651670.db2.gz KFSYNXJOGJQCKM-GOSISDBHSA-N 1 0 355.438 3.928 20 5 FHBDRO COc1cc(C[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])cc1O ZINC000435783013 943767977 /nfs/dbraw/zinc/76/79/77/943767977.db2.gz SKUOGYQJHOYZFE-NNUKFRKNSA-N 1 0 362.813 3.998 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](Cc2ccccc2)CN(C)C)cc1[N+](=O)[O-] ZINC000504899064 943877131 /nfs/dbraw/zinc/87/71/31/943877131.db2.gz AEKGFAIVYCDIEL-QFBILLFUSA-N 1 0 371.481 3.817 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](c1ccco1)N(C)C ZINC000504893322 943891898 /nfs/dbraw/zinc/89/18/98/943891898.db2.gz DNGDXPJHNLZHKS-GOEBONIOSA-N 1 0 363.483 3.951 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(C(=O)NC)c1 ZINC000504899783 943897502 /nfs/dbraw/zinc/89/75/02/943897502.db2.gz MCPBHXIZYDAMLL-MRXNPFEDSA-N 1 0 373.478 3.615 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(CCO)CCCC1 ZINC000504911935 943908769 /nfs/dbraw/zinc/90/87/69/943908769.db2.gz NYEZRIMHPJTNSN-HNNXBMFYSA-N 1 0 352.500 3.998 20 5 FHBDRO O=[N+]([O-])c1ccccc1N1CCN(Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000437583297 943945354 /nfs/dbraw/zinc/94/53/54/943945354.db2.gz OWQHIZGIDUKCIR-UHFFFAOYSA-N 1 0 354.385 3.537 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1 ZINC000511645232 943991915 /nfs/dbraw/zinc/99/19/15/943991915.db2.gz FXOAJAGLMSSOBW-NJYVYQBISA-N 1 0 352.434 3.642 20 5 FHBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000500069613 944052606 /nfs/dbraw/zinc/05/26/06/944052606.db2.gz ISDZTBXJDGBVPP-YOEHRIQHSA-N 1 0 357.410 3.990 20 5 FHBDRO C[NH+](C)CCOc1ccccc1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000092627287 944074295 /nfs/dbraw/zinc/07/42/95/944074295.db2.gz RUWYFEWMSWEADD-UHFFFAOYSA-N 1 0 366.421 3.696 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@]3(O)CCC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000517224070 944121028 /nfs/dbraw/zinc/12/10/28/944121028.db2.gz RUAALARXPVSURX-DJJJIMSYSA-N 1 0 360.410 3.504 20 5 FHBDRO O=C(CC[N@H+](CCC(F)(F)F)CC1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000500115865 944121555 /nfs/dbraw/zinc/12/15/55/944121555.db2.gz MWMKYYBVDIYQLT-UHFFFAOYSA-N 1 0 359.348 3.588 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436261786 944153852 /nfs/dbraw/zinc/15/38/52/944153852.db2.gz KRGOXLYGZIVXOR-KRWDZBQOSA-N 1 0 360.458 3.822 20 5 FHBDRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500143130 944163738 /nfs/dbraw/zinc/16/37/38/944163738.db2.gz XPJGFLCQVAKCAK-SFHVURJKSA-N 1 0 367.449 3.939 20 5 FHBDRO CN(C)C1(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000418118182 944166766 /nfs/dbraw/zinc/16/67/66/944166766.db2.gz VPAPKKSRBJLLLA-UHFFFAOYSA-N 1 0 359.401 3.710 20 5 FHBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000436288982 944176374 /nfs/dbraw/zinc/17/63/74/944176374.db2.gz LTUYQLKLNLSHGF-XOYOTBSWSA-N 1 0 360.454 3.627 20 5 FHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436303067 944187188 /nfs/dbraw/zinc/18/71/88/944187188.db2.gz BMIVTCZPVVSILL-UPJWGTAASA-N 1 0 372.391 3.850 20 5 FHBDRO CSc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000436315101 944193591 /nfs/dbraw/zinc/19/35/91/944193591.db2.gz OVZURVJMHPENGQ-IRXDYDNUSA-N 1 0 360.483 3.829 20 5 FHBDRO CSc1ccc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000436315093 944193831 /nfs/dbraw/zinc/19/38/31/944193831.db2.gz OVZURVJMHPENGQ-DLBZAZTESA-N 1 0 360.483 3.829 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000505804541 944252724 /nfs/dbraw/zinc/25/27/24/944252724.db2.gz CARPFTWQKPZYMK-CQSZACIVSA-N 1 0 365.499 3.559 20 5 FHBDRO C[NH+](C)Cc1cc(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])ccc1F ZINC000436402973 944280838 /nfs/dbraw/zinc/28/08/38/944280838.db2.gz DMHMCZDXMAMXGF-UHFFFAOYSA-N 1 0 372.322 3.821 20 5 FHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000436415095 944288509 /nfs/dbraw/zinc/28/85/09/944288509.db2.gz WKRWDBYMOZTQNV-CRAIPNDOSA-N 1 0 366.465 3.885 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000506474869 944288894 /nfs/dbraw/zinc/28/88/94/944288894.db2.gz QFVABSOISYKOPI-QZTJIDSGSA-N 1 0 361.486 3.560 20 5 FHBDRO CCc1cc(NC2CC[NH+](C(C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053552208 944343756 /nfs/dbraw/zinc/34/37/56/944343756.db2.gz LEUWLRIELNMUSU-UHFFFAOYSA-N 1 0 369.469 3.899 20 5 FHBDRO C[NH+](C)CCCCCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000123328937 944344862 /nfs/dbraw/zinc/34/48/62/944344862.db2.gz YBYZJBOSWHHOAV-UHFFFAOYSA-N 1 0 356.854 3.882 20 5 FHBDRO Cc1c(C[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)cccc1[N+](=O)[O-] ZINC000550178266 944356723 /nfs/dbraw/zinc/35/67/23/944356723.db2.gz BXRQZBVPSBGIIC-UHFFFAOYSA-N 1 0 358.413 3.924 20 5 FHBDRO COc1cc(C[N@H+](CCc2nccs2)C(C)C)c([N+](=O)[O-])cc1F ZINC000184270464 944373119 /nfs/dbraw/zinc/37/31/19/944373119.db2.gz FPJUFNWJJYALIH-UHFFFAOYSA-N 1 0 353.419 3.652 20 5 FHBDRO [NH3+]CC[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(F)F ZINC000414989027 944435933 /nfs/dbraw/zinc/43/59/33/944435933.db2.gz MAUYNKYYYPNKCH-ZDUSSCGKSA-N 1 0 359.760 3.580 20 5 FHBDRO C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000425971731 944459421 /nfs/dbraw/zinc/45/94/21/944459421.db2.gz RVDCYVBKNXQGMZ-QUCCMNQESA-N 1 0 354.454 3.939 20 5 FHBDRO Cc1cc(NC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000473788360 944467065 /nfs/dbraw/zinc/46/70/65/944467065.db2.gz QQGYHWSXYWUJKR-HNNXBMFYSA-N 1 0 356.426 3.545 20 5 FHBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000110405073 944473596 /nfs/dbraw/zinc/47/35/96/944473596.db2.gz XDDWTZJBKAKFID-UHFFFAOYSA-N 1 0 360.458 3.516 20 5 FHBDRO Cc1c([C@H](C)[NH2+]CCc2cc(F)cc3c2OCOC3)cccc1[N+](=O)[O-] ZINC000120703936 944491978 /nfs/dbraw/zinc/49/19/78/944491978.db2.gz GDYZKGJLSLYQEW-ZDUSSCGKSA-N 1 0 360.385 3.802 20 5 FHBDRO CC(C)(C)[N@@H+]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000110455289 944501724 /nfs/dbraw/zinc/50/17/24/944501724.db2.gz ZWDBCPCYOMXEDR-UHFFFAOYSA-N 1 0 356.264 3.668 20 5 FHBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc(-c4ccncc4)c3)CC2)n1 ZINC000425983696 944529326 /nfs/dbraw/zinc/52/93/26/944529326.db2.gz DPOLWLJHIXEOAR-UHFFFAOYSA-N 1 0 363.421 3.690 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccc(F)cc1F ZINC000025071186 944545421 /nfs/dbraw/zinc/54/54/21/944545421.db2.gz HXNPFHLIRMPYAO-UHFFFAOYSA-N 1 0 363.364 3.642 20 5 FHBDRO CC[N@H+](CCO)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000505868210 944549817 /nfs/dbraw/zinc/54/98/17/944549817.db2.gz LFFIRRSCAIEUFX-UHFFFAOYSA-N 1 0 350.802 3.855 20 5 FHBDRO C[NH+](C)CCc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000437905892 944552204 /nfs/dbraw/zinc/55/22/04/944552204.db2.gz BNCVZBPVWPXCPP-UHFFFAOYSA-N 1 0 362.817 3.996 20 5 FHBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cc(F)c(Cl)cc1Cl ZINC000181642302 944573976 /nfs/dbraw/zinc/57/39/76/944573976.db2.gz AENQKDASZKFHDS-VIFPVBQESA-N 1 0 374.199 3.553 20 5 FHBDRO COc1cc(C[N@H+](C)CCCOCc2ccccc2)c([N+](=O)[O-])cc1F ZINC000439467409 944645252 /nfs/dbraw/zinc/64/52/52/944645252.db2.gz IWHOGPKMDGIIIS-UHFFFAOYSA-N 1 0 362.401 3.781 20 5 FHBDRO CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000438485022 944667947 /nfs/dbraw/zinc/66/79/47/944667947.db2.gz CKSOVYSFEMKRKB-QWHCGFSZSA-N 1 0 374.466 3.777 20 5 FHBDRO C[N@H+](CCCOCc1ccccc1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000439483972 944686292 /nfs/dbraw/zinc/68/62/92/944686292.db2.gz BNISPBGNWGZJBH-UHFFFAOYSA-N 1 0 354.410 3.510 20 5 FHBDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000506942382 944763469 /nfs/dbraw/zinc/76/34/69/944763469.db2.gz INPDQSBCMWGYBE-MOFZMDFASA-N 1 0 373.840 3.871 20 5 FHBDRO C[NH+](C)CCc1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000438563850 944774817 /nfs/dbraw/zinc/77/48/17/944774817.db2.gz OTRMFDMMVPOQHR-UHFFFAOYSA-N 1 0 353.378 3.697 20 5 FHBDRO C[C@H]([NH2+]C(C)(C)CNc1ncnc2cccc([N+](=O)[O-])c21)c1ccccc1 ZINC000541590979 944799526 /nfs/dbraw/zinc/79/95/26/944799526.db2.gz HIAKIPWZXQANGQ-AWEZNQCLSA-N 1 0 365.437 3.501 20 5 FHBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000500426353 944876906 /nfs/dbraw/zinc/87/69/06/944876906.db2.gz VVRKCAKPQWQDAD-KRWDZBQOSA-N 1 0 374.485 3.507 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000541603586 944879234 /nfs/dbraw/zinc/87/92/34/944879234.db2.gz YFWLVHWZMHLQRP-KGLIPLIRSA-N 1 0 363.458 3.736 20 5 FHBDRO O=[N+]([O-])c1cccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000007094463 944890378 /nfs/dbraw/zinc/89/03/78/944890378.db2.gz GJXRMRBLHNFGJW-UHFFFAOYSA-N 1 0 370.478 3.546 20 5 FHBDRO CC[N@H+](Cc1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])cc1)C1CC1 ZINC000511730355 944956286 /nfs/dbraw/zinc/95/62/86/944956286.db2.gz OGRYSJHVLNSFOT-UHFFFAOYSA-N 1 0 353.422 3.509 20 5 FHBDRO O=[N+]([O-])c1cc(F)c(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c(F)c1 ZINC000511754838 945024091 /nfs/dbraw/zinc/02/40/91/945024091.db2.gz JMEAFVSQKQVWJK-OXFYSEKESA-N 1 0 374.387 3.878 20 5 FHBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000516597237 945058095 /nfs/dbraw/zinc/05/80/95/945058095.db2.gz ZHMJFUVXPOPTSC-KRWDZBQOSA-N 1 0 359.470 3.890 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000124038778 945059618 /nfs/dbraw/zinc/05/96/18/945059618.db2.gz UDEBOHOCIQSWKA-GOEBONIOSA-N 1 0 353.422 3.639 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000124038496 945060331 /nfs/dbraw/zinc/06/03/31/945060331.db2.gz UDEBOHOCIQSWKA-GDBMZVCRSA-N 1 0 353.422 3.639 20 5 FHBDRO C[C@@H]1c2ccccc2CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000106862593 945417027 /nfs/dbraw/zinc/41/70/27/945417027.db2.gz AYYFMBRCXRSPJR-CYBMUJFWSA-N 1 0 350.378 3.764 20 5 FHBDRO CC(=O)N1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC12CCCCC2 ZINC000408144127 945425912 /nfs/dbraw/zinc/42/59/12/945425912.db2.gz GVZMOUWJBDUDGW-INIZCTEOSA-N 1 0 359.470 3.831 20 5 FHBDRO COc1ccc(C2([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)CCOCC2)cc1F ZINC000444011157 945721395 /nfs/dbraw/zinc/72/13/95/945721395.db2.gz PFLHDYRDVZRKGY-UHFFFAOYSA-N 1 0 374.412 3.846 20 5 FHBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000550097788 945831210 /nfs/dbraw/zinc/83/12/10/945831210.db2.gz UFKYECLTOGYPGV-IUODEOHRSA-N 1 0 357.376 3.672 20 5 FHBDRO Cc1ccc(C(C)(C)CN(C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000444176864 946034946 /nfs/dbraw/zinc/03/49/46/946034946.db2.gz RMPCGFRZNDJKFM-UHFFFAOYSA-N 1 0 355.438 3.751 20 5 FHBDRO COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2C)[NH+]2CCCCC2)cc1 ZINC000111178721 946379394 /nfs/dbraw/zinc/37/93/94/946379394.db2.gz UWYLGIWDFNYMPY-LJQANCHMSA-N 1 0 370.453 3.946 20 5 FHBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001126120532 946397852 /nfs/dbraw/zinc/39/78/52/946397852.db2.gz FUNMFFJKIHHYEW-HNNXBMFYSA-N 1 0 374.824 3.984 20 5 FHBDRO Cn1cc(C[NH2+]C[C@@H]2CCc3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000111390395 946446744 /nfs/dbraw/zinc/44/67/44/946446744.db2.gz VEIPMSKCHWDLCT-KRWDZBQOSA-N 1 0 362.433 3.815 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3C[C@H](C)N(C4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000237425528 946455124 /nfs/dbraw/zinc/45/51/24/946455124.db2.gz MUEVCUFEIXJUBX-UONOGXRCSA-N 1 0 371.437 3.578 20 5 FHBDRO COc1ccc(-c2ccc(CN[C@H]3CC[N@@H+]4CCCC[C@@H]34)o2)c([N+](=O)[O-])c1 ZINC000237426769 946456836 /nfs/dbraw/zinc/45/68/36/946456836.db2.gz JBUOSOUNIXBILC-ROUUACIJSA-N 1 0 371.437 3.580 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000475142902 946490177 /nfs/dbraw/zinc/49/01/77/946490177.db2.gz BUVWWBDFJIAPDM-CVEARBPZSA-N 1 0 363.458 3.736 20 5 FHBDRO CC(C)c1ccc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC001126133069 946566177 /nfs/dbraw/zinc/56/61/77/946566177.db2.gz BMQBCQZGRNONGE-MRXNPFEDSA-N 1 0 369.465 3.969 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000104700360 946583619 /nfs/dbraw/zinc/58/36/19/946583619.db2.gz YQCPOPRDMGTWRM-HXUWFJFHSA-N 1 0 353.422 3.973 20 5 FHBDRO CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475544917 946628657 /nfs/dbraw/zinc/62/86/57/946628657.db2.gz WVIKEPPRPMBOTR-INIZCTEOSA-N 1 0 373.840 3.595 20 5 FHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1c[nH]c2ccccc12 ZINC000237297641 946642336 /nfs/dbraw/zinc/64/23/36/946642336.db2.gz CQHLCXVRSDYEEL-AWEZNQCLSA-N 1 0 366.421 3.626 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(N2CCC3(C[C@H]3N(C)Cc3nccs3)CC2)c1 ZINC000614776078 946684977 /nfs/dbraw/zinc/68/49/77/946684977.db2.gz HTBIMWRLWWKRHC-QGZVFWFLSA-N 1 0 372.494 3.851 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(CNC3CC([NH+]4CCCCC4)C3)o2)c1 ZINC000475583843 946751227 /nfs/dbraw/zinc/75/12/27/946751227.db2.gz NTNFDHYNEAAHSG-UHFFFAOYSA-N 1 0 355.438 3.961 20 5 FHBDRO C[C@@H](N[C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000186639465 946768127 /nfs/dbraw/zinc/76/81/27/946768127.db2.gz CBHHWXXEPLYFDR-BFUOFWGJSA-N 1 0 354.385 3.908 20 5 FHBDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)CCO2 ZINC000475289421 946827572 /nfs/dbraw/zinc/82/75/72/946827572.db2.gz AHKCWLUQTIXERJ-IFXJQAMLSA-N 1 0 374.462 3.703 20 5 FHBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1O ZINC000475339700 946907989 /nfs/dbraw/zinc/90/79/89/946907989.db2.gz RIXFBGUNPZBSIF-CZUORRHYSA-N 1 0 360.385 3.874 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000074808351 947022170 /nfs/dbraw/zinc/02/21/70/947022170.db2.gz WLCKZBSDDJILPN-GOSISDBHSA-N 1 0 367.449 3.640 20 5 FHBDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444649436 947070194 /nfs/dbraw/zinc/07/01/94/947070194.db2.gz JLRMIIOHTFVTFX-GDBMZVCRSA-N 1 0 350.422 3.924 20 5 FHBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1-n1cccn1 ZINC000444687943 947089191 /nfs/dbraw/zinc/08/91/91/947089191.db2.gz HWEFKFWHBYKSMS-CYBMUJFWSA-N 1 0 362.393 3.508 20 5 FHBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCC[C@H]1C ZINC000444679482 947104009 /nfs/dbraw/zinc/10/40/09/947104009.db2.gz VBVGKNGKXOVCGB-RHSMWYFYSA-N 1 0 363.458 3.833 20 5 FHBDRO Cc1cc(C)cc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000444689691 947114983 /nfs/dbraw/zinc/11/49/83/947114983.db2.gz GZEZSTZISWNTGZ-UHFFFAOYSA-N 1 0 355.438 3.981 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)c(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000125074725 947196608 /nfs/dbraw/zinc/19/66/08/947196608.db2.gz XCFDDASDARXRSH-NSHDSACASA-N 1 0 374.268 3.814 20 5 FHBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000441434112 947237360 /nfs/dbraw/zinc/23/73/60/947237360.db2.gz IXNJGNKVGQVMBP-KRWDZBQOSA-N 1 0 358.438 3.935 20 5 FHBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000567965796 947541945 /nfs/dbraw/zinc/54/19/45/947541945.db2.gz CBLIXRRLSGWJGE-BEFAXECRSA-N 1 0 372.469 3.511 20 5 FHBDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000072838450 947570660 /nfs/dbraw/zinc/57/06/60/947570660.db2.gz LSBYVGKCKREIAS-GJZGRUSLSA-N 1 0 362.455 3.751 20 5 FHBDRO Cc1cc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc([N+](=O)[O-])c1 ZINC000129551548 947991462 /nfs/dbraw/zinc/99/14/62/947991462.db2.gz DGPYWGWVUBZYNA-UHFFFAOYSA-N 1 0 373.478 3.607 20 5 FHBDRO CC(C)(C)[NH+]1CCC(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000120913314 948047198 /nfs/dbraw/zinc/04/71/98/948047198.db2.gz UOYDNWCZTXCUSN-UHFFFAOYSA-N 1 0 374.485 3.532 20 5 FHBDRO Cc1cc(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)c(C)o1 ZINC000441497665 948085234 /nfs/dbraw/zinc/08/52/34/948085234.db2.gz CQBWXZMIMMASKE-AWEZNQCLSA-N 1 0 371.437 3.760 20 5 FHBDRO C[C@@H]1C[N@@H+](CC2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000432336349 948148782 /nfs/dbraw/zinc/14/87/82/948148782.db2.gz MYNLSPBYBLWDQS-OKILXGFUSA-N 1 0 367.877 3.574 20 5 FHBDRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000585764805 948275826 /nfs/dbraw/zinc/27/58/26/948275826.db2.gz KYYFJCADYWIDCJ-MJXNMMHHSA-N 1 0 356.422 3.894 20 5 FHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000184732607 948301428 /nfs/dbraw/zinc/30/14/28/948301428.db2.gz CDHMSSABJCVYRJ-UYAOXDASSA-N 1 0 373.497 3.640 20 5 FHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000512122397 948479083 /nfs/dbraw/zinc/47/90/83/948479083.db2.gz LMRHMHBXTGSWSA-KGLIPLIRSA-N 1 0 365.499 3.508 20 5 FHBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000574854959 948634073 /nfs/dbraw/zinc/63/40/73/948634073.db2.gz FYDUTTBXXQFIJC-LESCRADOSA-N 1 0 366.433 3.648 20 5 FHBDRO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(C)CC1 ZINC000106165978 209272826 /nfs/dbraw/zinc/27/28/26/209272826.db2.gz UYAYPGHJCMQREI-QGZVFWFLSA-N 1 0 367.877 3.735 20 5 FHBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000072058216 208796059 /nfs/dbraw/zinc/79/60/59/208796059.db2.gz RNHBGEXLLXNESK-UHFFFAOYSA-N 1 0 371.462 3.704 20 5 FHBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000481361472 567818602 /nfs/dbraw/zinc/81/86/02/567818602.db2.gz RQJXIWDVESCCBX-AWEZNQCLSA-N 1 0 371.412 3.603 20 5 FHBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H]2CCCSC2)cc1Br ZINC000602662231 568012737 /nfs/dbraw/zinc/01/27/37/568012737.db2.gz MGHWVRBXCSTAME-MRVPVSSYSA-N 1 0 351.291 3.652 20 5 FHBDRO COc1cc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000490341113 568032807 /nfs/dbraw/zinc/03/28/07/568032807.db2.gz PCKVXQAMYRZHMU-NWDGAFQWSA-N 1 0 358.385 3.868 20 5 FHBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000568455740 568039787 /nfs/dbraw/zinc/03/97/87/568039787.db2.gz XJPIXSFZOHHDGD-CQSZACIVSA-N 1 0 367.515 3.946 20 5 FHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000568532002 568047383 /nfs/dbraw/zinc/04/73/83/568047383.db2.gz WGTNWSGUBGMDFE-FQEVSTJZSA-N 1 0 369.440 3.975 20 5 FHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000568532823 568047857 /nfs/dbraw/zinc/04/78/57/568047857.db2.gz FHDUIOQWGMMCQQ-CJOJLPBESA-N 1 0 357.454 3.521 20 5 FHBDRO Cc1c([C@@H](C)[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000481570065 568057644 /nfs/dbraw/zinc/05/76/44/568057644.db2.gz DLFNDVWWELJSBS-QAPCUYQASA-N 1 0 355.438 3.773 20 5 FHBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(N2CCCNC2=O)cc1 ZINC000291200082 568075987 /nfs/dbraw/zinc/07/59/87/568075987.db2.gz MYDPPFUDEYNGEV-GJZGRUSLSA-N 1 0 368.437 3.926 20 5 FHBDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000181883020 568099809 /nfs/dbraw/zinc/09/98/09/568099809.db2.gz USFASXXTHQHJBH-LBPRGKRZSA-N 1 0 357.801 3.680 20 5 FHBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291559938 568199285 /nfs/dbraw/zinc/19/92/85/568199285.db2.gz XTHJVBLGSDNPGK-UHFFFAOYSA-N 1 0 374.268 3.894 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000481990157 568215839 /nfs/dbraw/zinc/21/58/39/568215839.db2.gz IMRIFKHGDOQNAD-RBUKOAKNSA-N 1 0 366.465 3.789 20 5 FHBDRO COc1cc(C)c(C[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000302935507 568244929 /nfs/dbraw/zinc/24/49/29/568244929.db2.gz GBSISQOQLXMLBA-UHFFFAOYSA-N 1 0 374.437 3.821 20 5 FHBDRO CNC(=O)C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000482065268 568253439 /nfs/dbraw/zinc/25/34/39/568253439.db2.gz CUTMRRGTZHPOKO-MOPGFXCFSA-N 1 0 367.449 3.784 20 5 FHBDRO C[C@H](C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000568942303 568256383 /nfs/dbraw/zinc/25/63/83/568256383.db2.gz RHMIUAFFFILDEX-OAGGEKHMSA-N 1 0 361.486 3.571 20 5 FHBDRO CN(C)c1cc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c2ccccc2n1 ZINC000569000146 568266054 /nfs/dbraw/zinc/26/60/54/568266054.db2.gz CCCAYGGITDGMIU-GOSISDBHSA-N 1 0 362.433 3.986 20 5 FHBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH2+]C(C)(C)C(C)(C)O)cc1OC ZINC000541989111 568301604 /nfs/dbraw/zinc/30/16/04/568301604.db2.gz RVBVCVXIGGJBRK-CYBMUJFWSA-N 1 0 368.474 3.667 20 5 FHBDRO C[C@@H]([NH2+][C@H]1CCC1(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000569255682 568321021 /nfs/dbraw/zinc/32/10/21/568321021.db2.gz CSIPUMKSOWQWMD-ABAIWWIYSA-N 1 0 374.466 3.824 20 5 FHBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000031941144 568343727 /nfs/dbraw/zinc/34/37/27/568343727.db2.gz UFFKLQZVTYHITI-UHFFFAOYSA-N 1 0 371.437 3.876 20 5 FHBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1Cl ZINC000032315995 568386452 /nfs/dbraw/zinc/38/64/52/568386452.db2.gz FGSWYXKRMBRCKN-CQSZACIVSA-N 1 0 365.817 3.654 20 5 FHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000569707861 568413243 /nfs/dbraw/zinc/41/32/43/568413243.db2.gz DEEXVHQSVIOCJX-NSHDSACASA-N 1 0 357.357 3.890 20 5 FHBDRO C[C@@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000569887259 568433860 /nfs/dbraw/zinc/43/38/60/568433860.db2.gz DOTLLPVFDHAGLD-OAHLLOKOSA-N 1 0 353.422 3.933 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCCc4c(O)cccc43)c2c1 ZINC000569897659 568434796 /nfs/dbraw/zinc/43/47/96/568434796.db2.gz WDQNYHPSDPLPQJ-SFHVURJKSA-N 1 0 351.406 3.991 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)CCC2 ZINC000570890425 568612580 /nfs/dbraw/zinc/61/25/80/568612580.db2.gz QYVCUMPQKKDLGT-HBMCJLEFSA-N 1 0 352.434 3.728 20 5 FHBDRO C[C@H]([NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1[N+](=O)[O-] ZINC000824547258 608526320 /nfs/dbraw/zinc/52/63/20/608526320.db2.gz NPPJGCPUVAEZEM-SJCJKPOMSA-N 1 0 364.409 3.503 20 5 FHBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000825141349 609148487 /nfs/dbraw/zinc/14/84/87/609148487.db2.gz NXSQRHDCYATKQF-PIGZYNQJSA-N 1 0 370.388 3.716 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)cc1[N+](=O)[O-] ZINC000826282983 609152128 /nfs/dbraw/zinc/15/21/28/609152128.db2.gz HORFSSYCHLWZJG-NWDGAFQWSA-N 1 0 370.388 3.634 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164626995 719054001 /nfs/dbraw/zinc/05/40/01/719054001.db2.gz SZWHGGICOOKZAJ-WBVHZDCISA-N 1 0 372.856 3.744 20 5 FHBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164618861 719055857 /nfs/dbraw/zinc/05/58/57/719055857.db2.gz BZQUXJUVAZULQO-RDJZCZTQSA-N 1 0 372.856 3.744 20 5 FHBDRO Cc1cc(Cl)nc(N2CCCC[C@H]2CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001165046138 721968307 /nfs/dbraw/zinc/96/83/07/721968307.db2.gz BURVVYBTCFPFFZ-AWEZNQCLSA-N 1 0 352.866 3.796 20 5 FHBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000178746628 936380161 /nfs/dbraw/zinc/38/01/61/936380161.db2.gz GXCHBLSZLXCREV-MRXNPFEDSA-N 1 0 368.355 3.649 20 5 FHBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000175271488 927146982 /nfs/dbraw/zinc/14/69/82/927146982.db2.gz RAVFMPKPMCXWRA-INIZCTEOSA-N 1 0 373.478 3.641 20 5 FHBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000610178080 927288937 /nfs/dbraw/zinc/28/89/37/927288937.db2.gz NSAFHZMLFRLZLJ-WMLDXEAASA-N 1 0 361.486 3.695 20 5 FHBDRO COc1cc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000302029570 927295339 /nfs/dbraw/zinc/29/53/39/927295339.db2.gz HZFQYOFSGLOKJM-CABCVRRESA-N 1 0 365.449 3.833 20 5 FHBDRO CC(C)OCC(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001143372616 927480832 /nfs/dbraw/zinc/48/08/32/927480832.db2.gz WXGNRQDZXZJVAU-UHFFFAOYSA-N 1 0 361.401 3.929 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(Oc3cncc(Cl)c3)CC2)cc1 ZINC000579791371 927533682 /nfs/dbraw/zinc/53/36/82/927533682.db2.gz MFZHCZJMJZEUFX-UHFFFAOYSA-N 1 0 361.829 3.729 20 5 FHBDRO COc1cccc([C@@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)N(C)C)c1 ZINC000133682693 927544600 /nfs/dbraw/zinc/54/46/00/927544600.db2.gz QWSKXXZVXKEBQK-FOIQADDNSA-N 1 0 357.454 3.865 20 5 FHBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000535945467 937179486 /nfs/dbraw/zinc/17/94/86/937179486.db2.gz LIDCTLLMLAMHQL-WOJBJXKFSA-N 1 0 365.437 3.653 20 5 FHBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000535945465 937179552 /nfs/dbraw/zinc/17/95/52/937179552.db2.gz LIDCTLLMLAMHQL-UXHICEINSA-N 1 0 365.437 3.653 20 5 FHBDRO CCO[C@H]1C[C@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(CC)CC ZINC000187054560 927876768 /nfs/dbraw/zinc/87/67/68/927876768.db2.gz MBHUQULTQLUUSC-HOTGVXAUSA-N 1 0 374.441 3.718 20 5 FHBDRO C[C@@H]1C[C@H](CCNC(=O)c2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000510083412 927939277 /nfs/dbraw/zinc/93/92/77/927939277.db2.gz HRBWTPGIMDQVAC-AEFFLSMTSA-N 1 0 367.449 3.625 20 5 FHBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001167069203 928169351 /nfs/dbraw/zinc/16/93/51/928169351.db2.gz BYXHERVIIRTWSK-UHFFFAOYSA-N 1 0 360.417 3.916 20 5 FHBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ncc(Br)cc1F ZINC000187164078 928217444 /nfs/dbraw/zinc/21/74/44/928217444.db2.gz DCPJJEZSAGNJRN-JTQLQIEISA-N 1 0 368.206 3.785 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000430218093 928243127 /nfs/dbraw/zinc/24/31/27/928243127.db2.gz LAAONTWTFDNCCW-HXUWFJFHSA-N 1 0 370.405 3.616 20 5 FHBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC3(CC[NH2+]CC3)c3ccccc32)c1 ZINC001167071763 928246675 /nfs/dbraw/zinc/24/66/75/928246675.db2.gz RFAOCIZRMLGMQW-UHFFFAOYSA-N 1 0 360.417 3.916 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000430247454 928521494 /nfs/dbraw/zinc/52/14/94/928521494.db2.gz ZDULDKXNVVBOOK-LJQANCHMSA-N 1 0 355.438 3.704 20 5 FHBDRO CC1(C)C[C@H]([NH2+][C@H]2CCC[C@H](N3CCCC3=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000578206882 928750399 /nfs/dbraw/zinc/75/03/99/928750399.db2.gz DLZCOZHTLYERAA-DOXZYTNZSA-N 1 0 371.481 3.840 20 5 FHBDRO CC(C)Oc1nc(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001167088535 929012704 /nfs/dbraw/zinc/01/27/04/929012704.db2.gz HZMUHNRWVZIYRD-UHFFFAOYSA-N 1 0 370.384 3.506 20 5 FHBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000175771617 929040344 /nfs/dbraw/zinc/04/03/44/929040344.db2.gz QTLAXPOJMLOSJF-STQMWFEESA-N 1 0 367.877 3.735 20 5 FHBDRO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)cn2)n1 ZINC000162802920 937299198 /nfs/dbraw/zinc/29/91/98/937299198.db2.gz JVYDLIPAHNBELB-MRXNPFEDSA-N 1 0 365.437 3.952 20 5 FHBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccccc1F)C1CCCCC1 ZINC000535624745 929230511 /nfs/dbraw/zinc/23/05/11/929230511.db2.gz YNIJELWMYQUHIE-UHFFFAOYSA-N 1 0 373.428 3.731 20 5 FHBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175831863 929775796 /nfs/dbraw/zinc/77/57/96/929775796.db2.gz ORZPYRAUJGHGIM-LRDDRELGSA-N 1 0 350.415 3.884 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000580017288 929895073 /nfs/dbraw/zinc/89/50/73/929895073.db2.gz YHWKLMJVUPRSDZ-BEFAXECRSA-N 1 0 372.469 3.638 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000275765231 930190856 /nfs/dbraw/zinc/19/08/56/930190856.db2.gz GHCNGPQPMFXODM-UHFFFAOYSA-N 1 0 361.829 3.913 20 5 FHBDRO C[N@H+](CCC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000548064442 930271133 /nfs/dbraw/zinc/27/11/33/930271133.db2.gz GSRYWDULLQRSMM-UHFFFAOYSA-N 1 0 353.850 3.519 20 5 FHBDRO C[N@H+](CCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CCCCC1 ZINC000548064409 930276536 /nfs/dbraw/zinc/27/65/36/930276536.db2.gz VXOAWGSPOLMVGR-UHFFFAOYSA-N 1 0 359.470 3.740 20 5 FHBDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000610420531 930494673 /nfs/dbraw/zinc/49/46/73/930494673.db2.gz KMPZCVOTJKVTAK-YLQAJVPDSA-N 1 0 368.355 3.780 20 5 FHBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000379648146 930497904 /nfs/dbraw/zinc/49/79/04/930497904.db2.gz MANCJVKVUROFJJ-XLIONFOSSA-N 1 0 353.466 3.780 20 5 FHBDRO COc1ccc(C[C@@](C)([NH3+])CNc2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000536638298 930589608 /nfs/dbraw/zinc/58/96/08/930589608.db2.gz OOTWZZLWJCLWHL-HXUWFJFHSA-N 1 0 366.421 3.524 20 5 FHBDRO CC(C)CCSc1ccc(C(=O)N2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261721379 930723724 /nfs/dbraw/zinc/72/37/24/930723724.db2.gz CKFSLNJUOYBRRL-GOSISDBHSA-N 1 0 365.499 3.544 20 5 FHBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000175816867 930748743 /nfs/dbraw/zinc/74/87/43/930748743.db2.gz BDBZZSRUVRVNFS-DOTOQJQBSA-N 1 0 362.451 3.623 20 5 FHBDRO C[N@@H+]1CCC[C@H]2CN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@H]21 ZINC000247271734 930798318 /nfs/dbraw/zinc/79/83/18/930798318.db2.gz YCXAXBGOLZOCBW-MAUKXSAKSA-N 1 0 372.494 3.634 20 5 FHBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000261809188 930812529 /nfs/dbraw/zinc/81/25/29/930812529.db2.gz HJNSTCPPQJVNON-IBGZPJMESA-N 1 0 371.462 3.557 20 5 FHBDRO O=C(CC[C@@H]1CC[NH2+]C1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000261848241 930845706 /nfs/dbraw/zinc/84/57/06/930845706.db2.gz MGSYAHVQDUFTJZ-CQSZACIVSA-N 1 0 355.394 3.715 20 5 FHBDRO Cn1cc(CC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cn1 ZINC000121240478 931011853 /nfs/dbraw/zinc/01/18/53/931011853.db2.gz TYZQVMJGCDSUFI-UHFFFAOYSA-N 1 0 370.384 3.592 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)o2)cc1 ZINC000247289396 931088231 /nfs/dbraw/zinc/08/82/31/931088231.db2.gz ZASZDWAABGYXCU-SJLPKXTDSA-N 1 0 360.435 3.561 20 5 FHBDRO COc1cc(COc2cc(C)[nH+]c(C)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000548142591 931263787 /nfs/dbraw/zinc/26/37/87/931263787.db2.gz XORUJSSOSJEYBU-UHFFFAOYSA-N 1 0 368.336 3.838 20 5 FHBDRO CC[N@H+](CCC1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)CC1CC1 ZINC000537820462 931288023 /nfs/dbraw/zinc/28/80/23/931288023.db2.gz UKVMGQUHIAZFNZ-UHFFFAOYSA-N 1 0 359.470 3.569 20 5 FHBDRO CC(C)Oc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000581171249 931638306 /nfs/dbraw/zinc/63/83/06/931638306.db2.gz SPUZQBXAAXPTGQ-OALUTQOASA-N 1 0 372.469 3.895 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCNc1cccc(C)n1 ZINC000561324723 931728601 /nfs/dbraw/zinc/72/86/01/931728601.db2.gz ADQJIYLGENQJMS-HNNXBMFYSA-N 1 0 360.483 3.871 20 5 FHBDRO Cc1cc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000023014687 931843126 /nfs/dbraw/zinc/84/31/26/931843126.db2.gz JDJKTYMZYSKDRR-UHFFFAOYSA-N 1 0 367.449 3.545 20 5 FHBDRO C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000581584906 932276749 /nfs/dbraw/zinc/27/67/49/932276749.db2.gz FLGHZZUSIUOPCV-MRXNPFEDSA-N 1 0 367.449 3.611 20 5 FHBDRO C[NH+](C)CCN(Cc1csc([N+](=O)[O-])c1)Cc1cccc(Cl)c1 ZINC000581659773 932427714 /nfs/dbraw/zinc/42/77/14/932427714.db2.gz YCPUZGZTVGVDMB-UHFFFAOYSA-N 1 0 353.875 3.874 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000477356716 932500700 /nfs/dbraw/zinc/50/07/00/932500700.db2.gz ZCUJNIUWYPFHMB-UHFFFAOYSA-N 1 0 365.861 3.505 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000477370095 932522768 /nfs/dbraw/zinc/52/27/68/932522768.db2.gz ACLKKNVHAAGMCN-CQSZACIVSA-N 1 0 365.861 3.505 20 5 FHBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(OCc2ccccc2)CC1 ZINC000051181927 932534511 /nfs/dbraw/zinc/53/45/11/932534511.db2.gz NDDMGHHTZJVMRF-UHFFFAOYSA-N 1 0 356.422 3.655 20 5 FHBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000090909887 932603722 /nfs/dbraw/zinc/60/37/22/932603722.db2.gz WQRVGCNSWUZXFK-CYBMUJFWSA-N 1 0 353.422 3.718 20 5 FHBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(N2CCCC2=O)c1 ZINC000090910032 932604554 /nfs/dbraw/zinc/60/45/54/932604554.db2.gz DZFDLFVSUCFCBW-HNNXBMFYSA-N 1 0 353.422 3.615 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430660552 932696928 /nfs/dbraw/zinc/69/69/28/932696928.db2.gz DSKJYRQMZDZCEX-FUHWJXTLSA-N 1 0 367.449 3.686 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000178173849 932756206 /nfs/dbraw/zinc/75/62/06/932756206.db2.gz VOYIPHFMQVKEDU-HZPDHXFCSA-N 1 0 370.453 3.520 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510471363 932800602 /nfs/dbraw/zinc/80/06/02/932800602.db2.gz LAKZRLUVFJZXLK-SFHVURJKSA-N 1 0 366.421 3.790 20 5 FHBDRO C[C@@H]([NH3+])c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 ZINC000178233939 932950503 /nfs/dbraw/zinc/95/05/03/932950503.db2.gz OKCBPJRCMKCNJI-CQSZACIVSA-N 1 0 368.437 3.857 20 5 FHBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000588444431 933100606 /nfs/dbraw/zinc/10/06/06/933100606.db2.gz GLTFWGPRKOXBJP-FUYCXPICSA-N 1 0 359.470 3.769 20 5 FHBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000588444857 933105904 /nfs/dbraw/zinc/10/59/04/933105904.db2.gz NVROKZIDOUYWHU-KWRJMZDGSA-N 1 0 371.412 3.556 20 5 FHBDRO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cccc(-c4cccnc4)c3)CC2)c1 ZINC000510509941 933165811 /nfs/dbraw/zinc/16/58/11/933165811.db2.gz YSQGJARFFNBJHF-UHFFFAOYSA-N 1 0 374.444 3.979 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1 ZINC000510542678 933206721 /nfs/dbraw/zinc/20/67/21/933206721.db2.gz BFWLQKXAEGDLKH-HNAYVOBHSA-N 1 0 355.438 3.633 20 5 FHBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000728386831 933451063 /nfs/dbraw/zinc/45/10/63/933451063.db2.gz CRXYARFXYSHJEL-XFXZXTDPSA-N 1 0 365.433 3.520 20 5 FHBDRO COCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000178365976 933575988 /nfs/dbraw/zinc/57/59/88/933575988.db2.gz PUEHIVTWVDTQNI-FZKQIMNGSA-N 1 0 364.467 3.761 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000477911406 934262247 /nfs/dbraw/zinc/26/22/47/934262247.db2.gz HGACHUXKUKPVJK-ZFWWWQNUSA-N 1 0 364.392 3.683 20 5 FHBDRO Cc1nc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)ccc1[N+](=O)[O-] ZINC000535686605 934279638 /nfs/dbraw/zinc/27/96/38/934279638.db2.gz SJZWHTQQEONNOH-UHFFFAOYSA-N 1 0 366.465 3.791 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@@H]4COCC[C@H]43)cs2)c1 ZINC000535800472 934395197 /nfs/dbraw/zinc/39/51/97/934395197.db2.gz BNIDSJCXZLGQNH-RHSMWYFYSA-N 1 0 359.451 3.719 20 5 FHBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000934022161 934437451 /nfs/dbraw/zinc/43/74/51/934437451.db2.gz UWQZIXZDXKYBGK-PMACEKPBSA-N 1 0 371.481 3.612 20 5 FHBDRO CC[C@H]([NH2+]C[C@@H](O)COc1c(C)cccc1C)c1cccc([N+](=O)[O-])c1 ZINC000610804521 934440047 /nfs/dbraw/zinc/44/00/47/934440047.db2.gz WZZJXCLZBGPERM-MOPGFXCFSA-N 1 0 358.438 3.692 20 5 FHBDRO Cc1cc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)ccc1C[NH+](C)C ZINC000458290772 934585276 /nfs/dbraw/zinc/58/52/76/934585276.db2.gz SCYKPGLCXFKOBI-UHFFFAOYSA-N 1 0 366.421 3.627 20 5 FHBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(OC(F)F)cc1 ZINC000065208622 934667063 /nfs/dbraw/zinc/66/70/63/934667063.db2.gz QZBFTARAAXUOII-UHFFFAOYSA-N 1 0 352.337 3.707 20 5 FHBDRO Cc1c(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000176264872 934711301 /nfs/dbraw/zinc/71/13/01/934711301.db2.gz XOZTWLCIEZOKDI-UHFFFAOYSA-N 1 0 360.458 3.822 20 5 FHBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000380543574 934826588 /nfs/dbraw/zinc/82/65/88/934826588.db2.gz NPVRETBFBROJOQ-GOSISDBHSA-N 1 0 371.485 3.834 20 5 FHBDRO Cn1cc(C[NH2+]CCc2cccc(F)c2F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538399182 934835179 /nfs/dbraw/zinc/83/51/79/934835179.db2.gz IBDHBNYDOBLVRM-UHFFFAOYSA-N 1 0 372.375 3.606 20 5 FHBDRO COc1cc(C[N@@H+]2CCC[C@@H]2CSC)c([N+](=O)[O-])cc1OC(F)F ZINC000135466382 934878562 /nfs/dbraw/zinc/87/85/62/934878562.db2.gz HYQNFPHCGZTAKX-LLVKDONJSA-N 1 0 362.398 3.532 20 5 FHBDRO COc1cc(C[N@H+](C(C)C)C2CCOCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000119593904 934907962 /nfs/dbraw/zinc/90/79/62/934907962.db2.gz HGYTWIUVBHAGIK-UHFFFAOYSA-N 1 0 374.384 3.594 20 5 FHBDRO CCn1nc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC000472065263 934924146 /nfs/dbraw/zinc/92/41/46/934924146.db2.gz WIAGCZAGKYSAOQ-UHFFFAOYSA-N 1 0 358.829 3.950 20 5 FHBDRO Cn1cnc([N+](=O)[O-])c1CN1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000536394497 934950885 /nfs/dbraw/zinc/95/08/85/934950885.db2.gz JDSKDYDEPSTYAH-IBGZPJMESA-N 1 0 362.433 3.670 20 5 FHBDRO Cc1nccn1CCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000511035079 935001896 /nfs/dbraw/zinc/00/18/96/935001896.db2.gz SFTIDDBPKIMKCD-HXUWFJFHSA-N 1 0 350.422 3.869 20 5 FHBDRO C[C@H](CCO)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000119673921 935011981 /nfs/dbraw/zinc/01/19/81/935011981.db2.gz JWUFGYUGYBSHJY-GFCCVEGCSA-N 1 0 350.802 3.901 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000439895914 945077308 /nfs/dbraw/zinc/07/73/08/945077308.db2.gz FYOMHUCQDYWCBP-UHFFFAOYSA-N 1 0 366.462 3.576 20 5 FHBDRO CC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(C)cc1 ZINC000539251957 935111585 /nfs/dbraw/zinc/11/15/85/935111585.db2.gz GQENYHPESGNHBT-GOSISDBHSA-N 1 0 353.422 3.533 20 5 FHBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000536506312 935114392 /nfs/dbraw/zinc/11/43/92/935114392.db2.gz RPSHGIFEQCPXEQ-ZBFHGGJFSA-N 1 0 372.469 3.707 20 5 FHBDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000157910034 935221330 /nfs/dbraw/zinc/22/13/30/935221330.db2.gz BQBIERKZQCFXMT-TZMCWYRMSA-N 1 0 373.457 3.533 20 5 FHBDRO C[NH+](C)CCN(Cc1ccccn1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000135497082 935258836 /nfs/dbraw/zinc/25/88/36/935258836.db2.gz RRFGYMFLCKOLQD-UHFFFAOYSA-N 1 0 368.359 3.577 20 5 FHBDRO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511074538 935266870 /nfs/dbraw/zinc/26/68/70/935266870.db2.gz VHAHWHOQIQMTPZ-HXUWFJFHSA-N 1 0 369.465 3.679 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437164709 945089049 /nfs/dbraw/zinc/08/90/49/945089049.db2.gz JUYBONZZLFKSID-LBPRGKRZSA-N 1 0 373.375 3.608 20 5 FHBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000119921107 935332561 /nfs/dbraw/zinc/33/25/61/935332561.db2.gz RLSQZICCPBASSZ-QMTHXVAHSA-N 1 0 369.849 3.511 20 5 FHBDRO C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381711584 935544527 /nfs/dbraw/zinc/54/45/27/935544527.db2.gz JIBHNNDYKMFFCG-CRAIPNDOSA-N 1 0 357.429 3.734 20 5 FHBDRO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000511108527 935601014 /nfs/dbraw/zinc/60/10/14/935601014.db2.gz HUHXEBMVLFMBFZ-KRWDZBQOSA-N 1 0 361.442 3.587 20 5 FHBDRO O=C(Nc1cccc(F)c1)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000507291672 945119157 /nfs/dbraw/zinc/11/91/57/945119157.db2.gz IZMCNINVKBDCOZ-UHFFFAOYSA-N 1 0 371.412 3.627 20 5 FHBDRO C[NH+](C)[C@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000277618490 935736504 /nfs/dbraw/zinc/73/65/04/935736504.db2.gz WZLCSPLWNLOZEG-INIZCTEOSA-N 1 0 360.483 3.634 20 5 FHBDRO O=C1C[C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ccccc2N1 ZINC000375712408 935779702 /nfs/dbraw/zinc/77/97/02/935779702.db2.gz RYZLOSLKLCNZRJ-KSSFIOAISA-N 1 0 351.406 3.688 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000159049384 935793016 /nfs/dbraw/zinc/79/30/16/935793016.db2.gz KRDGEFOYJGQSLF-ZIAGYGMSSA-N 1 0 362.451 3.719 20 5 FHBDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000479455539 935839542 /nfs/dbraw/zinc/83/95/42/935839542.db2.gz NSPHAYPNZHHFJR-WMZOPIPTSA-N 1 0 367.453 3.865 20 5 FHBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000140531095 945136248 /nfs/dbraw/zinc/13/62/48/945136248.db2.gz JCOFWJLSGPLGGT-INIZCTEOSA-N 1 0 373.840 3.554 20 5 FHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)c1 ZINC000479881344 935911056 /nfs/dbraw/zinc/91/10/56/935911056.db2.gz HTOLIGHJYQLRSP-AWEZNQCLSA-N 1 0 365.355 3.982 20 5 FHBDRO COc1ccc(C[N@@H+](C)C[C@H](C)OC)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000582693761 935952697 /nfs/dbraw/zinc/95/26/97/935952697.db2.gz WXXAGJPUEMXVGH-HNNXBMFYSA-N 1 0 374.437 3.649 20 5 FHBDRO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H](C)Cc1ccsc1 ZINC000187792773 936001392 /nfs/dbraw/zinc/00/13/92/936001392.db2.gz ZDBKCUIEDPVSOV-CQSZACIVSA-N 1 0 361.467 3.572 20 5 FHBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000582737689 936045104 /nfs/dbraw/zinc/04/51/04/936045104.db2.gz VMKOOWUFIZAJLE-GOSISDBHSA-N 1 0 353.422 3.933 20 5 FHBDRO C[C@H]1C[C@@H](N(C)C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC[N@@H+]1C ZINC000277876543 936076101 /nfs/dbraw/zinc/07/61/01/936076101.db2.gz CEMMSPXKJWZFNY-GJZGRUSLSA-N 1 0 363.461 3.648 20 5 FHBDRO C[C@@H]([NH2+]CCc1ccn(-c2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000178659842 936090651 /nfs/dbraw/zinc/09/06/51/936090651.db2.gz JOOBTUKVNCRHFF-CQSZACIVSA-N 1 0 354.385 3.813 20 5 FHBDRO COc1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000582797974 936136441 /nfs/dbraw/zinc/13/64/41/936136441.db2.gz XSXOLORVNBJMNO-UHFFFAOYSA-N 1 0 366.364 3.879 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000178684773 936206487 /nfs/dbraw/zinc/20/64/87/936206487.db2.gz FQJNGAPCJLTFNJ-NWDGAFQWSA-N 1 0 362.817 3.629 20 5 FHBDRO Cc1ccnc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1[N+](=O)[O-] ZINC000431498857 936215891 /nfs/dbraw/zinc/21/58/91/936215891.db2.gz YOASBIRAUWTEBS-UHFFFAOYSA-N 1 0 366.465 3.791 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000431500814 936230350 /nfs/dbraw/zinc/23/03/50/936230350.db2.gz UDWXLGXNDWCTFX-UHFFFAOYSA-N 1 0 366.465 3.791 20 5 FHBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000583625889 938327174 /nfs/dbraw/zinc/32/71/74/938327174.db2.gz RDDHRUIMTACOTK-GJZGRUSLSA-N 1 0 369.421 3.634 20 5 FHBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000278373103 938359056 /nfs/dbraw/zinc/35/90/56/938359056.db2.gz RTUBUQSQOYDHBH-OAHLLOKOSA-N 1 0 363.461 3.650 20 5 FHBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000511803912 945169161 /nfs/dbraw/zinc/16/91/61/945169161.db2.gz BCCQKKLNGNWMTH-UONOGXRCSA-N 1 0 368.359 3.773 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2COc3c(C)cccc3C2)cc1[N+](=O)[O-] ZINC000583964353 938508013 /nfs/dbraw/zinc/50/80/13/938508013.db2.gz GRSCHJYSLKFISK-PBHICJAKSA-N 1 0 356.422 3.956 20 5 FHBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000458750168 938520821 /nfs/dbraw/zinc/52/08/21/938520821.db2.gz BAQONVYFQOZPQF-KEYYUXOJSA-N 1 0 374.441 3.677 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000584261960 938663738 /nfs/dbraw/zinc/66/37/38/938663738.db2.gz CUTAPPQUGMAOCY-SFHVURJKSA-N 1 0 374.416 3.721 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000584381221 938789633 /nfs/dbraw/zinc/78/96/33/938789633.db2.gz NBMNKJHHZFFLGB-UHFFFAOYSA-N 1 0 360.458 3.686 20 5 FHBDRO C[NH2+]C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 ZINC000179144651 938979835 /nfs/dbraw/zinc/97/98/35/938979835.db2.gz IOHWTBNNOKFEPX-UHFFFAOYSA-N 1 0 371.462 3.570 20 5 FHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000612101603 939050400 /nfs/dbraw/zinc/05/04/00/939050400.db2.gz BVSGEGREFYXELJ-BHIYHBOVSA-N 1 0 352.438 3.702 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000472357833 939064185 /nfs/dbraw/zinc/06/41/85/939064185.db2.gz DJNOIBZMZPGOKF-FUHWJXTLSA-N 1 0 367.449 3.795 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]CCCc2nc(C(C)C)no2)cc1[N+](=O)[O-] ZINC000179417691 939148182 /nfs/dbraw/zinc/14/81/82/939148182.db2.gz NAIFHBOVQVXVMO-CYBMUJFWSA-N 1 0 362.430 3.783 20 5 FHBDRO Cn1cc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cn1 ZINC000518222534 945232208 /nfs/dbraw/zinc/23/22/08/945232208.db2.gz WTHNHYBDAXXKKB-UHFFFAOYSA-N 1 0 360.801 3.574 20 5 FHBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000518265538 945270087 /nfs/dbraw/zinc/27/00/87/945270087.db2.gz ZFQSXFOYURZMET-ZDUSSCGKSA-N 1 0 371.428 3.796 20 5 FHBDRO COc1ccc([C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000179680771 939917606 /nfs/dbraw/zinc/91/76/06/939917606.db2.gz IFXOGSYDIVTUCN-HXUWFJFHSA-N 1 0 369.421 3.673 20 5 FHBDRO Cn1cc(C[N@@H+]2CCC[C@H]2c2cccn2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179704126 939924147 /nfs/dbraw/zinc/92/41/47/939924147.db2.gz LOBYWDGPYKAEKC-IBGZPJMESA-N 1 0 365.437 3.671 20 5 FHBDRO CCOc1ccccc1[C@H](CC)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000179742351 939927826 /nfs/dbraw/zinc/92/78/26/939927826.db2.gz GEKHLNNAXMMUCF-KRWDZBQOSA-N 1 0 371.437 3.981 20 5 FHBDRO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000179757911 939931453 /nfs/dbraw/zinc/93/14/53/939931453.db2.gz FQAHSNBAEQOIJH-UHFFFAOYSA-N 1 0 355.438 3.710 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000065857475 939987172 /nfs/dbraw/zinc/98/71/72/939987172.db2.gz RDSQSOZAXMSCIK-MRXNPFEDSA-N 1 0 371.412 3.893 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000411249661 940022189 /nfs/dbraw/zinc/02/21/89/940022189.db2.gz DSGISMPXTZZKJM-AWEZNQCLSA-N 1 0 369.421 3.551 20 5 FHBDRO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411809095 940123805 /nfs/dbraw/zinc/12/38/05/940123805.db2.gz SYTJKRCVKGCSDO-RYUDHWBXSA-N 1 0 359.348 3.586 20 5 FHBDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000179948489 940160303 /nfs/dbraw/zinc/16/03/03/940160303.db2.gz TYAAMJOFAVICPC-CQSZACIVSA-N 1 0 362.451 3.548 20 5 FHBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000236718476 940169971 /nfs/dbraw/zinc/16/99/71/940169971.db2.gz VYDMRWJSQPECFG-SFHVURJKSA-N 1 0 373.478 3.627 20 5 FHBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC000255870646 940254481 /nfs/dbraw/zinc/25/44/81/940254481.db2.gz SWUOYZAHDYUQJD-XFXZXTDPSA-N 1 0 367.449 3.765 20 5 FHBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000066434579 940486904 /nfs/dbraw/zinc/48/69/04/940486904.db2.gz XLGXZVVMNOBKEV-GOSISDBHSA-N 1 0 350.365 3.817 20 5 FHBDRO C[C@@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000581046318 940494063 /nfs/dbraw/zinc/49/40/63/940494063.db2.gz CLRWUEMCFCWFLR-IPJUCJBFSA-N 1 0 373.497 3.858 20 5 FHBDRO COc1ccccc1C1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000581864099 940628152 /nfs/dbraw/zinc/62/81/52/940628152.db2.gz MSAFUEGNOVBAOQ-DLBZAZTESA-N 1 0 370.453 3.605 20 5 FHBDRO CC[NH+](CC)[C@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000111102575 945340739 /nfs/dbraw/zinc/34/07/39/945340739.db2.gz GVCDMMUYYPISCY-BEFAXECRSA-N 1 0 355.438 3.855 20 5 FHBDRO CCOc1cccc(NCc2ccccc2OCC[NH+](C)C)c1[N+](=O)[O-] ZINC000582367340 940661759 /nfs/dbraw/zinc/66/17/59/940661759.db2.gz CWHUAAQHKGSYIU-UHFFFAOYSA-N 1 0 359.426 3.546 20 5 FHBDRO CC[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000414250594 940834451 /nfs/dbraw/zinc/83/44/51/940834451.db2.gz BJVGFRBAMWSEOR-NEPJUHHUSA-N 1 0 361.364 3.880 20 5 FHBDRO CC[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000414266175 940863937 /nfs/dbraw/zinc/86/39/37/940863937.db2.gz RIVTUPCXNMLZPP-IUODEOHRSA-N 1 0 370.375 3.986 20 5 FHBDRO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000414274703 940882913 /nfs/dbraw/zinc/88/29/13/940882913.db2.gz VJAQKHXYVYFFSN-BXUZGUMPSA-N 1 0 356.348 3.596 20 5 FHBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000892608221 940941061 /nfs/dbraw/zinc/94/10/61/940941061.db2.gz NZAALYYSJIOIQD-MJBXVCDLSA-N 1 0 374.359 3.595 20 5 FHBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000066676210 940984757 /nfs/dbraw/zinc/98/47/57/940984757.db2.gz MDPPODTUIUEATA-UHFFFAOYSA-N 1 0 367.449 3.579 20 5 FHBDRO O=C(c1ccccc1Cl)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000180418009 941005083 /nfs/dbraw/zinc/00/50/83/941005083.db2.gz VJKTWWBGZFTBTA-UHFFFAOYSA-N 1 0 373.840 3.643 20 5 FHBDRO CC(C)c1ccc(C[N@@H+]2CCSC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000186482949 941008847 /nfs/dbraw/zinc/00/88/47/941008847.db2.gz CNERYNPGAXSJAA-UHFFFAOYSA-N 1 0 350.484 3.816 20 5 FHBDRO Cc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000180435144 941014154 /nfs/dbraw/zinc/01/41/54/941014154.db2.gz WEMMMNREEXUKJM-CVEARBPZSA-N 1 0 355.438 3.740 20 5 FHBDRO C[C@@H]([NH2+]CC(=O)Nc1cccc2c1N=S=N2)c1cccc([N+](=O)[O-])c1 ZINC000180439221 941014596 /nfs/dbraw/zinc/01/45/96/941014596.db2.gz JTGSCAAFZODEGE-SNVBAGLBSA-N 1 0 357.395 3.611 20 5 FHBDRO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414353672 941029858 /nfs/dbraw/zinc/02/98/58/941029858.db2.gz ZAFYPDKNCRGUGD-OLZOCXBDSA-N 1 0 361.467 3.887 20 5 FHBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000452077551 941064169 /nfs/dbraw/zinc/06/41/69/941064169.db2.gz DPSIWQFPVQRXLH-ZIAGYGMSSA-N 1 0 357.410 3.590 20 5 FHBDRO CCOc1cccc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000180713874 941066879 /nfs/dbraw/zinc/06/68/79/941066879.db2.gz CHKSOKONEPJAFZ-HNNXBMFYSA-N 1 0 371.437 3.981 20 5 FHBDRO Cc1cc(C[C@H](C)[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000180963890 941097894 /nfs/dbraw/zinc/09/78/94/941097894.db2.gz BVZWTHIRVUKKME-XOBRGWDASA-N 1 0 350.422 3.937 20 5 FHBDRO Cc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000189096488 941145494 /nfs/dbraw/zinc/14/54/94/941145494.db2.gz VUYCADGAXOBFBQ-VQIMIIECSA-N 1 0 367.449 3.663 20 5 FHBDRO CCS[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000189510539 941159453 /nfs/dbraw/zinc/15/94/53/941159453.db2.gz RNLBEVNBXPETGG-CABCVRRESA-N 1 0 371.890 3.841 20 5 FHBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000189510795 941159497 /nfs/dbraw/zinc/15/94/97/941159497.db2.gz VPMXWYZXDFEOCI-IRXDYDNUSA-N 1 0 365.499 3.886 20 5 FHBDRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1)C1CC1 ZINC000541070660 941159549 /nfs/dbraw/zinc/15/95/49/941159549.db2.gz MOPWWJWCLSJASO-UHFFFAOYSA-N 1 0 369.421 3.840 20 5 FHBDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000181441883 941255361 /nfs/dbraw/zinc/25/53/61/941255361.db2.gz MEGSKAOYZKBGJU-CYBMUJFWSA-N 1 0 371.466 3.882 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000189717937 941267218 /nfs/dbraw/zinc/26/72/18/941267218.db2.gz DVNQTRJCFAOATO-QFBILLFUSA-N 1 0 368.437 3.779 20 5 FHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2c[nH]c3ccccc23)n1 ZINC000472632877 941291455 /nfs/dbraw/zinc/29/14/55/941291455.db2.gz WIGPGDJWNSDTFG-QZTJIDSGSA-N 1 0 353.426 3.589 20 5 FHBDRO CC(C)(C)OC(=O)N1CCC(C)([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000190006324 941339705 /nfs/dbraw/zinc/33/97/05/941339705.db2.gz QCGWTVPEXHUWTF-UHFFFAOYSA-N 1 0 355.460 3.536 20 5 FHBDRO CC(C)[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@@H]1CCC(=O)N1 ZINC000414556398 941378366 /nfs/dbraw/zinc/37/83/66/941378366.db2.gz KDEVEVHUQDOAPC-AWEZNQCLSA-N 1 0 373.478 3.812 20 5 FHBDRO O=[N+]([O-])c1cc(CNC[C@@H]2CCC[NH2+]C2)ccc1Oc1ccc(F)cc1 ZINC000414822126 941478107 /nfs/dbraw/zinc/47/81/07/941478107.db2.gz CFTMJTYWHWVKCV-OAHLLOKOSA-N 1 0 359.401 3.615 20 5 FHBDRO O=[N+]([O-])c1cc(C[NH2+]CCOc2cccc(Br)c2)cs1 ZINC000236636781 941522328 /nfs/dbraw/zinc/52/23/28/941522328.db2.gz IGILZBXPPVKXKB-UHFFFAOYSA-N 1 0 357.229 3.587 20 5 FHBDRO Cc1cccc(N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000549146619 941527093 /nfs/dbraw/zinc/52/70/93/941527093.db2.gz VGQYEZZSACKPGN-UHFFFAOYSA-N 1 0 374.529 3.536 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122340806 941549550 /nfs/dbraw/zinc/54/95/50/941549550.db2.gz VJLAQNKXMZSRPJ-INIZCTEOSA-N 1 0 357.454 3.694 20 5 FHBDRO Cc1c([C@H](C)[NH2+]Cc2cccc(CN3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000163720583 941661285 /nfs/dbraw/zinc/66/12/85/941661285.db2.gz OBYPQNCRXZXHRG-KRWDZBQOSA-N 1 0 369.465 3.586 20 5 FHBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000415192780 941662011 /nfs/dbraw/zinc/66/20/11/941662011.db2.gz KVNPFKZDZYRCCQ-HIFRSBDPSA-N 1 0 370.409 3.636 20 5 FHBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000415191316 941665506 /nfs/dbraw/zinc/66/55/06/941665506.db2.gz JSRDGEBMJVTQHN-KGLIPLIRSA-N 1 0 370.409 3.779 20 5 FHBDRO [NH3+]CC1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000415201940 941674597 /nfs/dbraw/zinc/67/45/97/941674597.db2.gz ZUVCPJIOKXNUPI-UHFFFAOYSA-N 1 0 370.409 3.590 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000513261190 941814192 /nfs/dbraw/zinc/81/41/92/941814192.db2.gz MCTCQNMHQWPKJF-KUHUBIRLSA-N 1 0 353.422 3.925 20 5 FHBDRO CC(C)N(CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)Cc1ccc([N+](=O)[O-])cc1 ZINC000513405270 941899167 /nfs/dbraw/zinc/89/91/67/941899167.db2.gz FVVMCOACRVHKQX-ICSRJNTNSA-N 1 0 373.497 3.986 20 5 FHBDRO COc1ccc(COCC[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000468616777 941919378 /nfs/dbraw/zinc/91/93/78/941919378.db2.gz CGUOMIMPDRQBPC-VBKFSLOCSA-N 1 0 356.422 3.813 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000182660228 941949630 /nfs/dbraw/zinc/94/96/30/941949630.db2.gz NJKDRHGNCMEJSC-WBVHZDCISA-N 1 0 373.497 3.935 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000182975431 942042389 /nfs/dbraw/zinc/04/23/89/942042389.db2.gz SBUNOSYOFSCNMJ-ZFWWWQNUSA-N 1 0 355.442 3.839 20 5 FHBDRO C[C@@H](CCc1cccn1C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000122673503 942044744 /nfs/dbraw/zinc/04/47/44/942044744.db2.gz STFVEFZAAYSKOG-INIZCTEOSA-N 1 0 356.470 3.513 20 5 FHBDRO COc1ccc(C[NH2+][C@H](C)CCc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000513662001 942070789 /nfs/dbraw/zinc/07/07/89/942070789.db2.gz RXXVKEAGRFWJPS-GFCCVEGCSA-N 1 0 350.365 3.993 20 5 FHBDRO COc1ccc([C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(C)C)cc1 ZINC000102693179 942083452 /nfs/dbraw/zinc/08/34/52/942083452.db2.gz XDAWSTRJZGXSMH-HXUWFJFHSA-N 1 0 371.437 3.837 20 5 FHBDRO COc1cc(C[N@@H+]2CCC[C@@](C)(OC)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000280425240 942180970 /nfs/dbraw/zinc/18/09/70/942180970.db2.gz ZKFURCPEXBXQNO-QGZVFWFLSA-N 1 0 374.384 3.596 20 5 FHBDRO Cc1cccc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000103094415 942201109 /nfs/dbraw/zinc/20/11/09/942201109.db2.gz TXJSDNVQHFBAAH-QGZVFWFLSA-N 1 0 359.470 3.631 20 5 FHBDRO Cn1ccnc1[C@H](N[C@H]1C[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000280618611 942214919 /nfs/dbraw/zinc/21/49/19/942214919.db2.gz FJZMFJNTECXLHU-QWFCFKBJSA-N 1 0 362.433 3.954 20 5 FHBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000420940548 942265549 /nfs/dbraw/zinc/26/55/49/942265549.db2.gz DMTJHZZCJCYZER-CYBMUJFWSA-N 1 0 373.375 3.896 20 5 FHBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000501019747 942265808 /nfs/dbraw/zinc/26/58/08/942265808.db2.gz KYAZXLSLXMUYBK-KBPBESRZSA-N 1 0 372.469 3.562 20 5 FHBDRO O=C(CC[N@@H+]1CCC[C@H](CC(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420943659 942268067 /nfs/dbraw/zinc/26/80/67/942268067.db2.gz IJFYILCRCXAWBB-GFCCVEGCSA-N 1 0 359.348 3.588 20 5 FHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCNC(=O)c1ccccc1Cl ZINC000468644441 942277514 /nfs/dbraw/zinc/27/75/14/942277514.db2.gz BFGMCYYIYQALPX-SDNWHVSQSA-N 1 0 373.840 3.671 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000421003106 942298345 /nfs/dbraw/zinc/29/83/45/942298345.db2.gz YUMADCPHIDDEHW-INIZCTEOSA-N 1 0 363.364 3.828 20 5 FHBDRO Cc1ccccc1C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000501101969 942308087 /nfs/dbraw/zinc/30/80/87/942308087.db2.gz CJHZYKHIUFQPHW-UHFFFAOYSA-N 1 0 353.422 3.896 20 5 FHBDRO CC(C)(C)c1ccc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)cc1[N+](=O)[O-] ZINC000501102718 942308661 /nfs/dbraw/zinc/30/86/61/942308661.db2.gz XSIHZUDYKGPXIU-UHFFFAOYSA-N 1 0 372.469 3.760 20 5 FHBDRO COc1ccc(C[NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)cc1[N+](=O)[O-] ZINC000502260067 942319565 /nfs/dbraw/zinc/31/95/65/942319565.db2.gz XPDHQZGYHXBWTR-AWEZNQCLSA-N 1 0 374.437 3.650 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000481088697 942323826 /nfs/dbraw/zinc/32/38/26/942323826.db2.gz JAGQSDODQGDMEK-DZGCQCFKSA-N 1 0 363.458 3.736 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001167943205 942367989 /nfs/dbraw/zinc/36/79/89/942367989.db2.gz KDBUOGNULVEVJU-HNNXBMFYSA-N 1 0 365.474 3.771 20 5 FHBDRO CC[N@@H+]1CCc2c(cccc2NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC000378212188 942398254 /nfs/dbraw/zinc/39/82/54/942398254.db2.gz NWNZVGORRJJOAE-UHFFFAOYSA-N 1 0 361.348 3.503 20 5 FHBDRO COCCOc1cccc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000468651333 942434344 /nfs/dbraw/zinc/43/43/44/942434344.db2.gz YIXPTWQGRGHZPG-LFIBNONCSA-N 1 0 356.422 3.813 20 5 FHBDRO O=C(NCCC[NH2+]C1CCCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000419900071 942440747 /nfs/dbraw/zinc/44/07/47/942440747.db2.gz QEXYIALMECVCEL-UHFFFAOYSA-N 1 0 373.375 3.656 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1C ZINC001269735156 942445010 /nfs/dbraw/zinc/44/50/10/942445010.db2.gz VEQPAWBJGYQXCX-KXBFYZLASA-N 1 0 355.438 3.633 20 5 FHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(OCC(F)F)cc1 ZINC000549407581 942473870 /nfs/dbraw/zinc/47/38/70/942473870.db2.gz GIGHZKSHJJNUNB-UHFFFAOYSA-N 1 0 350.365 3.913 20 5 FHBDRO CC[C@H]1C[C@]1([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000502525160 942498868 /nfs/dbraw/zinc/49/88/68/942498868.db2.gz UUYFJDUNFLDRQS-MGPUTAFESA-N 1 0 353.422 3.757 20 5 FHBDRO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)c1ccc([N+](=O)[O-])cc1 ZINC000421392026 942543517 /nfs/dbraw/zinc/54/35/17/942543517.db2.gz WYTMWADEZJZQMD-RDJZCZTQSA-N 1 0 372.494 3.541 20 5 FHBDRO Cn1ccnc1[C@H]([NH2+]C[C@H]1CC12CCSCC2)c1ccc([N+](=O)[O-])cc1 ZINC000421392024 942543827 /nfs/dbraw/zinc/54/38/27/942543827.db2.gz WYTMWADEZJZQMD-NVXWUHKLSA-N 1 0 372.494 3.541 20 5 FHBDRO CCCn1nccc1C1CC[NH+](Cc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000501561735 942550843 /nfs/dbraw/zinc/55/08/43/942550843.db2.gz PQHLSMAGKFDOSI-UHFFFAOYSA-N 1 0 372.469 3.980 20 5 FHBDRO Cc1cc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)ncc1[N+](=O)[O-] ZINC000366548986 942578664 /nfs/dbraw/zinc/57/86/64/942578664.db2.gz XTGCQZLDKHABBD-UHFFFAOYSA-N 1 0 358.364 3.515 20 5 FHBDRO Cc1c(CC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000120223783 942580643 /nfs/dbraw/zinc/58/06/43/942580643.db2.gz SFNJLFSYCVYGHB-MRXNPFEDSA-N 1 0 369.465 3.691 20 5 FHBDRO C[C@@H](O)C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCCC1 ZINC000104684939 942590036 /nfs/dbraw/zinc/59/00/36/942590036.db2.gz UWCRKYZPOYFOAE-OAHLLOKOSA-N 1 0 373.453 3.808 20 5 FHBDRO Cc1ccc(NC(=O)[C@@H](SCC[NH+](C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000120236400 942607043 /nfs/dbraw/zinc/60/70/43/942607043.db2.gz QMSZYHUQKRXGJM-SFHVURJKSA-N 1 0 373.478 3.878 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000104701857 942618916 /nfs/dbraw/zinc/61/89/16/942618916.db2.gz HQTQOYBNODFHEN-FQEVSTJZSA-N 1 0 369.421 3.673 20 5 FHBDRO CC(C)Oc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2F)[NH+](C)C)cc1 ZINC000413303838 942638849 /nfs/dbraw/zinc/63/88/49/942638849.db2.gz RBJSQFHLOKNYET-KRWDZBQOSA-N 1 0 362.405 3.631 20 5 FHBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000472986401 942763561 /nfs/dbraw/zinc/76/35/61/942763561.db2.gz OFYZDEWLWMFRSN-UHFFFAOYSA-N 1 0 361.486 3.840 20 5 FHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1ccco1 ZINC000421746231 942793960 /nfs/dbraw/zinc/79/39/60/942793960.db2.gz BDGBHULVLQQQIM-KRWDZBQOSA-N 1 0 359.426 3.618 20 5 FHBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000514197736 942807963 /nfs/dbraw/zinc/80/79/63/942807963.db2.gz SDDVBLYLWGKVKH-ZDUSSCGKSA-N 1 0 357.376 3.782 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000421770956 942814471 /nfs/dbraw/zinc/81/44/71/942814471.db2.gz LDFSHFZDLGRBKQ-ROUUACIJSA-N 1 0 373.497 3.938 20 5 FHBDRO COCc1nccc([C@@H]2CCC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000378507411 942836157 /nfs/dbraw/zinc/83/61/57/942836157.db2.gz UWVNTSLXVBOBFB-HZPDHXFCSA-N 1 0 370.453 3.780 20 5 FHBDRO CC[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)CC(C)C ZINC000434678821 942849416 /nfs/dbraw/zinc/84/94/16/942849416.db2.gz KVVBKYPUWDGOSL-UHFFFAOYSA-N 1 0 362.455 3.635 20 5 FHBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)ccc1OCC[NH+](C)C ZINC000421881442 942863815 /nfs/dbraw/zinc/86/38/15/942863815.db2.gz BMXBIZMBXIKUQB-UHFFFAOYSA-N 1 0 371.437 3.713 20 5 FHBDRO CC(C)C[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000434696450 942869364 /nfs/dbraw/zinc/86/93/64/942869364.db2.gz ZCVCLARQEYGJEG-UHFFFAOYSA-N 1 0 374.466 3.777 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCCCC1 ZINC000505489095 942886655 /nfs/dbraw/zinc/88/66/55/942886655.db2.gz PZHGFMJUFNSIDI-UHFFFAOYSA-N 1 0 365.499 3.703 20 5 FHBDRO COc1cc(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c([N+](=O)[O-])cc1F ZINC000425242536 943052656 /nfs/dbraw/zinc/05/26/56/943052656.db2.gz RUNIKDSMEFKCQV-CYBMUJFWSA-N 1 0 374.416 3.775 20 5 FHBDRO Cc1c(C[NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000503270651 943094186 /nfs/dbraw/zinc/09/41/86/943094186.db2.gz PSQJFKYMSCULNH-IBGZPJMESA-N 1 0 363.417 3.596 20 5 FHBDRO COc1cc(C[NH+]2CCC(N3CCc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC000503369973 943143649 /nfs/dbraw/zinc/14/36/49/943143649.db2.gz CTGMVAVRVUBIQD-UHFFFAOYSA-N 1 0 367.449 3.631 20 5 FHBDRO CCS[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000503455482 943191713 /nfs/dbraw/zinc/19/17/13/943191713.db2.gz UFLQXNSWKWEPHI-VCTAVGKDSA-N 1 0 371.890 3.839 20 5 FHBDRO COc1cccc(C[N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000505642125 943281325 /nfs/dbraw/zinc/28/13/25/943281325.db2.gz YHPIBIWNMOTLSX-UHFFFAOYSA-N 1 0 366.421 3.636 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C\CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435394699 943380079 /nfs/dbraw/zinc/38/00/79/943380079.db2.gz OTYDAOPLHBODKZ-LQOHYYORSA-N 1 0 366.465 3.647 20 5 FHBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000467208878 943480619 /nfs/dbraw/zinc/48/06/19/943480619.db2.gz VGAUTCRMPMPBDD-GXTWGEPZSA-N 1 0 374.466 3.777 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(N3CCCC3)CCOCC1)CCCC2 ZINC000417301378 943495012 /nfs/dbraw/zinc/49/50/12/943495012.db2.gz BJQURLCCXYELDK-FQEVSTJZSA-N 1 0 373.497 3.597 20 5 FHBDRO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417301153 943495120 /nfs/dbraw/zinc/49/51/20/943495120.db2.gz ACMSBFAJRKGWNW-LJQANCHMSA-N 1 0 359.470 3.599 20 5 FHBDRO CN(C)C(=O)c1cccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417326088 943518202 /nfs/dbraw/zinc/51/82/02/943518202.db2.gz QXJWHVNURFHJFZ-FQEVSTJZSA-N 1 0 367.449 3.854 20 5 FHBDRO CC(C)CCSc1ccc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000504179175 943529789 /nfs/dbraw/zinc/52/97/89/943529789.db2.gz VNYDPQUKSGHBSR-KBPBESRZSA-N 1 0 365.499 3.542 20 5 FHBDRO CCNC(=O)c1cccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417343009 943531774 /nfs/dbraw/zinc/53/17/74/943531774.db2.gz PVAZCLQTWRDCFG-FQEVSTJZSA-N 1 0 367.449 3.902 20 5 FHBDRO CC(C)(CO)[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000566476348 943572492 /nfs/dbraw/zinc/57/24/92/943572492.db2.gz XWXSSGVHFGRFKN-MOPGFXCFSA-N 1 0 354.450 3.974 20 5 FHBDRO Cc1ccc(Sc2ccc(C(=O)N3CC[C@H]([NH3+])[C@@H]3C)cc2[N+](=O)[O-])cc1 ZINC000423633792 943576730 /nfs/dbraw/zinc/57/67/30/943576730.db2.gz BSEFHFVEQZSFTD-BBRMVZONSA-N 1 0 371.462 3.616 20 5 FHBDRO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000425416283 943857948 /nfs/dbraw/zinc/85/79/48/943857948.db2.gz GBWAEGAYXHIQSH-JSGCOSHPSA-N 1 0 369.259 3.606 20 5 FHBDRO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000424337197 943868784 /nfs/dbraw/zinc/86/87/84/943868784.db2.gz ZDNZPYWOJGIZRS-NEPJUHHUSA-N 1 0 363.439 3.510 20 5 FHBDRO Cn1ccnc1[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000424346338 943875025 /nfs/dbraw/zinc/87/50/25/943875025.db2.gz JMKPHMFNKHRYSX-KVSKMBFKSA-N 1 0 354.454 3.976 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](Cc2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000504912353 943908547 /nfs/dbraw/zinc/90/85/47/943908547.db2.gz VBRAGELXKYYOQT-QFBILLFUSA-N 1 0 371.481 3.817 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(CCO)CCCC1 ZINC000504911936 943908672 /nfs/dbraw/zinc/90/86/72/943908672.db2.gz NYEZRIMHPJTNSN-OAHLLOKOSA-N 1 0 352.500 3.998 20 5 FHBDRO Cc1cc(C[NH3+])cc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000424442171 943917203 /nfs/dbraw/zinc/91/72/03/943917203.db2.gz XKYGYFLHOJBHPR-UHFFFAOYSA-N 1 0 356.426 3.506 20 5 FHBDRO [NH3+][C@@H](CCC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000515483397 943922535 /nfs/dbraw/zinc/92/25/35/943922535.db2.gz CUUCLTBQMVKZNW-IBGZPJMESA-N 1 0 355.438 3.514 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccccc2OCc2cccnc2)cc1 ZINC000105448274 943954034 /nfs/dbraw/zinc/95/40/34/943954034.db2.gz PWONTTANXUAGGY-UHFFFAOYSA-N 1 0 363.417 3.901 20 5 FHBDRO C[C@H](c1ccccc1)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCC1 ZINC000425460831 944004743 /nfs/dbraw/zinc/00/47/43/944004743.db2.gz TZDRJXXMKHXIME-MRXNPFEDSA-N 1 0 355.438 3.762 20 5 FHBDRO CN(C(=O)C[N@@H+]1CCC[C@H](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000436122963 944037062 /nfs/dbraw/zinc/03/70/62/944037062.db2.gz GPLGWVXFXJWWEV-GOSISDBHSA-N 1 0 367.449 3.512 20 5 FHBDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500113229 944128908 /nfs/dbraw/zinc/12/89/08/944128908.db2.gz FPNQWWITSFDMRB-AEFFLSMTSA-N 1 0 367.449 3.877 20 5 FHBDRO C[S@](=O)C1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000436287287 944165730 /nfs/dbraw/zinc/16/57/30/944165730.db2.gz UHGRXIAXBLRHKN-BVZFJXPGSA-N 1 0 358.463 3.575 20 5 FHBDRO CC(C)(C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1(O)CCOCC1 ZINC000418120836 944173832 /nfs/dbraw/zinc/17/38/32/944173832.db2.gz CUKHCAKUGPWFRG-UHFFFAOYSA-N 1 0 374.437 3.512 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCN(CC(F)F)C3)s2)cc1 ZINC000418127743 944180952 /nfs/dbraw/zinc/18/09/52/944180952.db2.gz AJZPRQSRGZYPDV-CYBMUJFWSA-N 1 0 367.421 3.752 20 5 FHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000436298469 944182704 /nfs/dbraw/zinc/18/27/04/944182704.db2.gz ZSWZVUAGXSTQTQ-DDUZABMNSA-N 1 0 371.412 3.987 20 5 FHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)n1 ZINC000436302033 944186436 /nfs/dbraw/zinc/18/64/36/944186436.db2.gz QPFQYCMJEIGASB-LEUOFYLZSA-N 1 0 358.417 3.950 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000505793496 944197956 /nfs/dbraw/zinc/19/79/56/944197956.db2.gz URSGFLVGQAICIB-UHFFFAOYSA-N 1 0 365.499 3.559 20 5 FHBDRO Cc1nn(C)c(NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000518298336 944244469 /nfs/dbraw/zinc/24/44/69/944244469.db2.gz FOBAQMMWIDHKIG-OAHLLOKOSA-N 1 0 363.849 3.539 20 5 FHBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc4c(cccc4O)s3)CC2)n1 ZINC000894579751 944285403 /nfs/dbraw/zinc/28/54/03/944285403.db2.gz OCVCAVFBKQRAGZ-UHFFFAOYSA-N 1 0 358.423 3.549 20 5 FHBDRO Cc1ccc(C[C@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000500219343 944287100 /nfs/dbraw/zinc/28/71/00/944287100.db2.gz WXCQUPIBLLCWOH-HXUWFJFHSA-N 1 0 367.449 3.573 20 5 FHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000436415100 944288790 /nfs/dbraw/zinc/28/87/90/944288790.db2.gz WKRWDBYMOZTQNV-YJBOKZPZSA-N 1 0 366.465 3.885 20 5 FHBDRO COc1ccc(C[NH2+]CCc2cn(C)c3cc(C)ccc23)cc1[N+](=O)[O-] ZINC000436410397 944298837 /nfs/dbraw/zinc/29/88/37/944298837.db2.gz BJOLMDQOHNLWIW-UHFFFAOYSA-N 1 0 353.422 3.736 20 5 FHBDRO O=C(NCCCCC[NH+]1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000518395138 944348513 /nfs/dbraw/zinc/34/85/13/944348513.db2.gz DAFDCOVBPXMNIY-UHFFFAOYSA-N 1 0 359.426 3.727 20 5 FHBDRO COc1ccc([C@@H]2CC[N@H+](Cc3cc(OC)c(F)cc3[N+](=O)[O-])C2)cc1 ZINC000184259156 944355642 /nfs/dbraw/zinc/35/56/42/944355642.db2.gz UKGMASHPZDJGSU-CQSZACIVSA-N 1 0 360.385 3.741 20 5 FHBDRO COc1cc(C[N@H+](C)CC(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000506497135 944381524 /nfs/dbraw/zinc/38/15/24/944381524.db2.gz VBHNABSQUKBQKU-UHFFFAOYSA-N 1 0 350.337 3.632 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3Cc4ccccc4O3)o2)c1 ZINC000517545160 944392252 /nfs/dbraw/zinc/39/22/52/944392252.db2.gz GBGMTUBUDWTOGI-SFHVURJKSA-N 1 0 350.374 3.948 20 5 FHBDRO COc1ccc(C[C@](C)([NH3+])CNc2ccc3ncccc3c2[N+](=O)[O-])cc1 ZINC000500279547 944397293 /nfs/dbraw/zinc/39/72/93/944397293.db2.gz LCKSLJYYXMNADI-FQEVSTJZSA-N 1 0 366.421 3.524 20 5 FHBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000425960786 944414234 /nfs/dbraw/zinc/41/42/34/944414234.db2.gz YWKAEBMJRIQEJL-NEPJUHHUSA-N 1 0 350.802 3.711 20 5 FHBDRO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000425960792 944414242 /nfs/dbraw/zinc/41/42/42/944414242.db2.gz YWKAEBMJRIQEJL-RYUDHWBXSA-N 1 0 350.802 3.711 20 5 FHBDRO CC(C)c1nnc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000426307566 944421240 /nfs/dbraw/zinc/42/12/40/944421240.db2.gz SAIOUPCOHXNRPS-OAHLLOKOSA-N 1 0 360.483 3.723 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000550208987 944425024 /nfs/dbraw/zinc/42/50/24/944425024.db2.gz DWNSGKFOVYBJPZ-OAHLLOKOSA-N 1 0 371.412 3.860 20 5 FHBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])cc1 ZINC000843755402 944425571 /nfs/dbraw/zinc/42/55/71/944425571.db2.gz JATAXHRUQFDGSK-UHFFFAOYSA-N 1 0 373.428 3.814 20 5 FHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000110355448 944455737 /nfs/dbraw/zinc/45/57/37/944455737.db2.gz DSVZQHUKULCLRS-AWEZNQCLSA-N 1 0 373.478 3.567 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2nnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000426328541 944469736 /nfs/dbraw/zinc/46/97/36/944469736.db2.gz CYQDNOXMRHDBDT-GFCCVEGCSA-N 1 0 364.471 3.862 20 5 FHBDRO Cc1nc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000133906359 944543611 /nfs/dbraw/zinc/54/36/11/944543611.db2.gz IHCFALDBXJCEER-UYAOXDASSA-N 1 0 366.465 3.789 20 5 FHBDRO COc1cc([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c(F)cn1 ZINC000517768894 944576820 /nfs/dbraw/zinc/57/68/20/944576820.db2.gz TURCUMUDPBRMTQ-JTQLQIEISA-N 1 0 353.781 3.684 20 5 FHBDRO C[C@H](C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000066854645 944642485 /nfs/dbraw/zinc/64/24/85/944642485.db2.gz GAQUJFGEJXJYOC-CYBMUJFWSA-N 1 0 361.829 3.922 20 5 FHBDRO Cc1cc(C)cc(OCC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000518760686 944725295 /nfs/dbraw/zinc/72/52/95/944725295.db2.gz MWICNZXRFGBDSX-UHFFFAOYSA-N 1 0 366.364 3.982 20 5 FHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000053749270 944853166 /nfs/dbraw/zinc/85/31/66/944853166.db2.gz OGFFDDHMQVIXOR-YOEHRIQHSA-N 1 0 354.410 3.552 20 5 FHBDRO CCCNc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000516447966 944871943 /nfs/dbraw/zinc/87/19/43/944871943.db2.gz MIWBEAYYJMTTLF-QZTJIDSGSA-N 1 0 357.458 3.887 20 5 FHBDRO CC1(C)CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC[NH2+]1 ZINC000426892828 944895172 /nfs/dbraw/zinc/89/51/72/944895172.db2.gz BCPXMAUNGXMHKA-UHFFFAOYSA-N 1 0 371.462 3.570 20 5 FHBDRO O=C(CC[NH2+]CC1(Cc2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000518964596 944982410 /nfs/dbraw/zinc/98/24/10/944982410.db2.gz BKSJJEPZUTWMIF-UHFFFAOYSA-N 1 0 353.422 3.536 20 5 FHBDRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000437082647 945001281 /nfs/dbraw/zinc/00/12/81/945001281.db2.gz KPVXZKBOFZWFMT-RISCZKNCSA-N 1 0 361.364 3.879 20 5 FHBDRO C[C@@H](CO[C@@H]1CCOC1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000151258759 945385785 /nfs/dbraw/zinc/38/57/85/945385785.db2.gz DKTQEKSGXXPULK-UONOGXRCSA-N 1 0 362.451 3.607 20 5 FHBDRO COc1cc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])ccc1SC ZINC000507695143 945458841 /nfs/dbraw/zinc/45/88/41/945458841.db2.gz SJORGUMTSWGCFG-UHFFFAOYSA-N 1 0 362.451 3.836 20 5 FHBDRO CC[C@@H](C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000519488684 945461030 /nfs/dbraw/zinc/46/10/30/945461030.db2.gz RXCNQWVYMHQSPN-YJBOKZPZSA-N 1 0 355.438 3.683 20 5 FHBDRO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c2ccccc21 ZINC000519833055 945796215 /nfs/dbraw/zinc/79/62/15/945796215.db2.gz KXJXTSSOECJHIQ-ZWKOTPCHSA-N 1 0 351.406 3.670 20 5 FHBDRO C[C@@H]1CCCC[C@H]1OCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000127148710 945809630 /nfs/dbraw/zinc/80/96/30/945809630.db2.gz CHNPDHNKZMYPQR-OXQOHEQNSA-N 1 0 361.486 3.749 20 5 FHBDRO C[NH+](C)[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])Cc1ccccc1 ZINC000108105613 945860180 /nfs/dbraw/zinc/86/01/80/945860180.db2.gz DECAQLXWHVONMN-INIZCTEOSA-N 1 0 350.422 3.728 20 5 FHBDRO COc1cc(C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1O ZINC000186439680 945925983 /nfs/dbraw/zinc/92/59/83/945925983.db2.gz UKXDMKAFOPPVKA-ZDUSSCGKSA-N 1 0 370.327 3.745 20 5 FHBDRO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729482893 946023348 /nfs/dbraw/zinc/02/33/48/946023348.db2.gz DZGOZWUMADACDW-MRXNPFEDSA-N 1 0 363.458 3.816 20 5 FHBDRO C/C(=C/C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000785284472 946266778 /nfs/dbraw/zinc/26/67/78/946266778.db2.gz XKKLMSMGMBYLLQ-BHWVZIDZSA-N 1 0 359.470 3.769 20 5 FHBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000441205005 946316463 /nfs/dbraw/zinc/31/64/63/946316463.db2.gz IAVOUVYDVODDFI-QGZVFWFLSA-N 1 0 360.385 3.958 20 5 FHBDRO Cc1sc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000109504134 946318642 /nfs/dbraw/zinc/31/86/42/946318642.db2.gz UNEDCWHJYKEGPB-QGZVFWFLSA-N 1 0 373.478 3.840 20 5 FHBDRO O=C1CC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2N1 ZINC000544384562 946392635 /nfs/dbraw/zinc/39/26/35/946392635.db2.gz VWYZVCWESZYMOD-HNNXBMFYSA-N 1 0 359.813 3.854 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+](CCO)[C@H]3CCCSC3)o2)c1 ZINC000475488809 946418321 /nfs/dbraw/zinc/41/83/21/946418321.db2.gz RNEWMWHTHYORND-INIZCTEOSA-N 1 0 362.451 3.545 20 5 FHBDRO Cc1c([C@H](C)[NH2+]CCc2csc(N3CCCC3)n2)cccc1[N+](=O)[O-] ZINC000129491804 946418995 /nfs/dbraw/zinc/41/89/95/946418995.db2.gz PYORDMILPDTLIA-AWEZNQCLSA-N 1 0 360.483 3.853 20 5 FHBDRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000441344601 946493538 /nfs/dbraw/zinc/49/35/38/946493538.db2.gz IWMLTNZXGFFXHP-LXGCGDOSSA-N 1 0 374.412 3.557 20 5 FHBDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000475158783 946527610 /nfs/dbraw/zinc/52/76/10/946527610.db2.gz NLXNLCZABWVWOE-JKSUJKDBSA-N 1 0 361.442 3.697 20 5 FHBDRO COc1ccc(OCC[N@H+](C)[C@H](C)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000441392905 946549017 /nfs/dbraw/zinc/54/90/17/946549017.db2.gz DZOIMOBQMSMYKJ-MRXNPFEDSA-N 1 0 358.438 3.854 20 5 FHBDRO COC1CCC(C)(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000475198910 946710989 /nfs/dbraw/zinc/71/09/89/946710989.db2.gz ROJFPQYXJXEDTL-UHFFFAOYSA-N 1 0 358.385 3.881 20 5 FHBDRO CCSc1cccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000473148832 946712836 /nfs/dbraw/zinc/71/28/36/946712836.db2.gz RIYAYZXSYCXBDH-OAHLLOKOSA-N 1 0 358.467 3.788 20 5 FHBDRO COC1CCC(C)(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000475208536 946723736 /nfs/dbraw/zinc/72/37/36/946723736.db2.gz ASBRNMOAQKUUSJ-UHFFFAOYSA-N 1 0 372.469 3.680 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000475581531 946746966 /nfs/dbraw/zinc/74/69/66/946746966.db2.gz GNPPBWXKUCBOIE-INIZCTEOSA-N 1 0 350.463 3.700 20 5 FHBDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000475235864 946757677 /nfs/dbraw/zinc/75/76/77/946757677.db2.gz QBWKVSFXJLQDGO-QWHCGFSZSA-N 1 0 354.410 3.762 20 5 FHBDRO C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1C(F)(F)F ZINC000894978354 946766913 /nfs/dbraw/zinc/76/69/13/946766913.db2.gz KOIBZBVRVVKPOS-UHFFFAOYSA-N 1 0 357.288 3.521 20 5 FHBDRO C[C@@H](N[C@H](c1cnn(C)c1)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000186639428 946768972 /nfs/dbraw/zinc/76/89/72/946768972.db2.gz CBHHWXXEPLYFDR-YJYMSZOUSA-N 1 0 354.385 3.908 20 5 FHBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c1 ZINC000843769475 946885459 /nfs/dbraw/zinc/88/54/59/946885459.db2.gz YWSPXIYJCYIKFK-UHFFFAOYSA-N 1 0 373.428 3.814 20 5 FHBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2ncccc2O)ccc1Oc1ccc(F)cc1 ZINC000475335075 946902862 /nfs/dbraw/zinc/90/28/62/946902862.db2.gz QZMFJTQTZYJLRR-UHFFFAOYSA-N 1 0 369.352 3.917 20 5 FHBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc2ccccc2s1 ZINC000112532165 946908657 /nfs/dbraw/zinc/90/86/57/946908657.db2.gz YUPCCXNPUYTUHI-NWDGAFQWSA-N 1 0 370.434 3.882 20 5 FHBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000843771476 946927731 /nfs/dbraw/zinc/92/77/31/946927731.db2.gz KZPFXRDAQZCJBB-ZBFHGGJFSA-N 1 0 371.412 3.608 20 5 FHBDRO CSc1ccc(C(=O)NCCC[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000018232700 947051459 /nfs/dbraw/zinc/05/14/59/947051459.db2.gz UCAHEULXSIROEF-UHFFFAOYSA-N 1 0 373.478 3.569 20 5 FHBDRO Cc1c(NC(=O)CC[N@@H+](C)CC2(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000444687201 947089266 /nfs/dbraw/zinc/08/92/66/947089266.db2.gz UMLKGOCZWQIQBX-UHFFFAOYSA-N 1 0 367.449 3.895 20 5 FHBDRO CC[C@H]1CCCC[C@H]1[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000444667135 947094106 /nfs/dbraw/zinc/09/41/06/947094106.db2.gz AVMJRXBPSITRKX-WMLDXEAASA-N 1 0 363.458 3.833 20 5 FHBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2cc(C)cc(C)c2)c([N+](=O)[O-])c1 ZINC000444701250 947128941 /nfs/dbraw/zinc/12/89/41/947128941.db2.gz GIURZIHLQDIBBT-UHFFFAOYSA-N 1 0 371.437 3.681 20 5 FHBDRO Cc1cc(C)cc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000444704159 947130182 /nfs/dbraw/zinc/13/01/82/947130182.db2.gz LSWIKZMUTHCWCW-UHFFFAOYSA-N 1 0 355.438 3.981 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCO[C@@H]3c3ccc(Cl)cc3)nc2c1 ZINC000444707340 947135557 /nfs/dbraw/zinc/13/55/57/947135557.db2.gz PVIJXOBENUASBA-MAUKXSAKSA-N 1 0 372.812 3.744 20 5 FHBDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000121491311 947140817 /nfs/dbraw/zinc/14/08/17/947140817.db2.gz QPXBQDMTZUEKOS-ZFWWWQNUSA-N 1 0 372.396 3.978 20 5 FHBDRO COc1ccc(C2([NH2+]Cc3cccc([N+](=O)[O-])c3C)CCOCC2)cc1F ZINC000444821634 947235875 /nfs/dbraw/zinc/23/58/75/947235875.db2.gz ZWILYEQGGVMHCP-UHFFFAOYSA-N 1 0 374.412 3.846 20 5 FHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1ccnc(OCC[NH+](C)C)c1 ZINC000444826762 947242071 /nfs/dbraw/zinc/24/20/71/947242071.db2.gz NKSUYTPGXRCKOJ-UHFFFAOYSA-N 1 0 364.833 3.504 20 5 FHBDRO Cc1c(C[N@@H+](C[C@@H](O)COc2ccccc2)C(C)C)cccc1[N+](=O)[O-] ZINC000444820919 947255773 /nfs/dbraw/zinc/25/57/73/947255773.db2.gz XFXUKHLBKDLJEN-GOSISDBHSA-N 1 0 358.438 3.554 20 5 FHBDRO Cc1ccc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000072810795 947350067 /nfs/dbraw/zinc/35/00/67/947350067.db2.gz OFNSBWBQFYUOET-DLBZAZTESA-N 1 0 359.470 3.630 20 5 FHBDRO C[N@@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000093840156 947386713 /nfs/dbraw/zinc/38/67/13/947386713.db2.gz KNGZEQHIEFPLAC-OAHLLOKOSA-N 1 0 360.385 3.995 20 5 FHBDRO CCS[C@H]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000072837531 947569142 /nfs/dbraw/zinc/56/91/42/947569142.db2.gz ATLOIUSFRUUKAD-HOCLYGCPSA-N 1 0 365.499 3.838 20 5 FHBDRO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072837792 947570033 /nfs/dbraw/zinc/57/00/33/947570033.db2.gz UORBXCABYGZWPT-WCQYABFASA-N 1 0 371.890 3.793 20 5 FHBDRO COc1ccc(-c2ccc(C[N@H+](CC(C)(C)O)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000428399575 947699989 /nfs/dbraw/zinc/69/99/89/947699989.db2.gz LXSAWCWWKUBWDJ-UHFFFAOYSA-N 1 0 360.410 3.599 20 5 FHBDRO COc1ccc([C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000121554835 947748538 /nfs/dbraw/zinc/74/85/38/947748538.db2.gz COBMSQZFWHEGFK-HXUWFJFHSA-N 1 0 371.437 3.553 20 5 FHBDRO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000129530930 947789843 /nfs/dbraw/zinc/78/98/43/947789843.db2.gz VCLIACOIZKTPEH-KRWDZBQOSA-N 1 0 371.481 3.740 20 5 FHBDRO CC(C)(C)c1ccc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000536380339 947852396 /nfs/dbraw/zinc/85/23/96/947852396.db2.gz WWMHNAUKJJYSJW-LJQANCHMSA-N 1 0 369.465 3.891 20 5 FHBDRO COc1ccc([C@H](CNc2ncccc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000015170679 947856762 /nfs/dbraw/zinc/85/67/62/947856762.db2.gz FZOBDMUXQRWISU-SFHVURJKSA-N 1 0 356.426 3.638 20 5 FHBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000441489924 947972284 /nfs/dbraw/zinc/97/22/84/947972284.db2.gz PIHOQWLOWCZDEU-QGZVFWFLSA-N 1 0 372.421 3.828 20 5 FHBDRO CCc1nn(C)c(NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000094160513 948030764 /nfs/dbraw/zinc/03/07/64/948030764.db2.gz CKTKQGAOXNURBC-AWEZNQCLSA-N 1 0 357.458 3.528 20 5 FHBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cc(Br)ccc2F)cc1 ZINC000314886525 948046494 /nfs/dbraw/zinc/04/64/94/948046494.db2.gz IKUAUOJHOUKVFW-UHFFFAOYSA-N 1 0 369.190 3.665 20 5 FHBDRO COc1cc2c(cc1OC)CC[NH+](C/C=C/c1ccccc1[N+](=O)[O-])CC2 ZINC000512036003 948248158 /nfs/dbraw/zinc/24/81/58/948248158.db2.gz BRUPFXNTLGLGCF-FNORWQNLSA-N 1 0 368.433 3.726 20 5 FHBDRO CCC(C)(C)[C@H]1CCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000441649201 948454406 /nfs/dbraw/zinc/45/44/06/948454406.db2.gz RGMZYDDWZSRXIK-QGZVFWFLSA-N 1 0 361.442 3.793 20 5 FHBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1F ZINC000574854961 948634086 /nfs/dbraw/zinc/63/40/86/948634086.db2.gz FYDUTTBXXQFIJC-YXJHDRRASA-N 1 0 366.433 3.648 20 5 FHBDRO CC(C)c1ccc(CN[C@@H](C[S@](C)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000182097249 948662984 /nfs/dbraw/zinc/66/29/84/948662984.db2.gz VUUUCDAXQZDNIS-BVZFJXPGSA-N 1 0 360.479 3.928 20 5 FHBDRO CC(C)(C)c1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000097205669 222169465 /nfs/dbraw/zinc/16/94/65/222169465.db2.gz OVKFMPRZQKJZEO-UHFFFAOYSA-N 1 0 359.470 3.593 20 5 FHBDRO Cc1ccncc1[C@@H](C)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602583250 567994017 /nfs/dbraw/zinc/99/40/17/567994017.db2.gz WAXRBAOPQCGQCH-SECBINFHSA-N 1 0 356.245 3.973 20 5 FHBDRO C[C@@H](C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)c1nccs1 ZINC000602612086 567997599 /nfs/dbraw/zinc/99/75/99/567997599.db2.gz GHAMDSHNOQFOOG-ZETCQYMHSA-N 1 0 362.274 3.769 20 5 FHBDRO COCCC[C@H](Cc1ccccc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602647627 568004424 /nfs/dbraw/zinc/00/44/24/568004424.db2.gz ITOVWDZIQHGYMY-MRXNPFEDSA-N 1 0 369.421 3.864 20 5 FHBDRO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H](O)Cc1ccccc1 ZINC000568306278 568018180 /nfs/dbraw/zinc/01/81/80/568018180.db2.gz XOKKKODHVOEGFX-KRWDZBQOSA-N 1 0 366.417 3.890 20 5 FHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000481554635 568047199 /nfs/dbraw/zinc/04/71/99/568047199.db2.gz CFOBZPXPXZLSSK-APWZRJJASA-N 1 0 369.465 3.725 20 5 FHBDRO CCOc1ccc(NC(=O)C[NH2+]C(C)(C)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000568539095 568048641 /nfs/dbraw/zinc/04/86/41/568048641.db2.gz RVDBZCVYMJNTNA-UHFFFAOYSA-N 1 0 371.437 3.765 20 5 FHBDRO CC[C@@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000481545888 568051114 /nfs/dbraw/zinc/05/11/14/568051114.db2.gz PGAFQJLCUKOVSK-RTBURBONSA-N 1 0 355.438 3.855 20 5 FHBDRO CC[NH+](CC)CCOc1ccc(CNc2nc(C)ccc2[N+](=O)[O-])cc1 ZINC000481676531 568084990 /nfs/dbraw/zinc/08/49/90/568084990.db2.gz JTNQNNUOKDZSNY-UHFFFAOYSA-N 1 0 358.442 3.631 20 5 FHBDRO COc1cc(C[NH2+][C@H]2CC[C@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1O ZINC000481833642 568147802 /nfs/dbraw/zinc/14/78/02/568147802.db2.gz DSHLCYUBYVCPBE-JSGCOSHPSA-N 1 0 360.385 3.874 20 5 FHBDRO C[C@@H]1CCCN(Cc2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000024887448 568216994 /nfs/dbraw/zinc/21/69/94/568216994.db2.gz BQPQMDNDHCMLIG-GFCCVEGCSA-N 1 0 360.439 3.536 20 5 FHBDRO Cc1cc2[nH]c(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc2c(C)c1 ZINC000482006408 568226386 /nfs/dbraw/zinc/22/63/86/568226386.db2.gz HLVGAZIZETYYJT-OAHLLOKOSA-N 1 0 365.437 3.774 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000568921887 568252482 /nfs/dbraw/zinc/25/24/82/568252482.db2.gz ORSRYEYAVSFUSW-GOEBONIOSA-N 1 0 374.485 3.932 20 5 FHBDRO COc1ccc([C@H](CNc2ncc([N+](=O)[O-])s2)[NH+]2CCCCC2)cc1 ZINC000190302110 568256928 /nfs/dbraw/zinc/25/69/28/568256928.db2.gz IBUSNWYRRPUXHY-HNNXBMFYSA-N 1 0 362.455 3.699 20 5 FHBDRO CC(C)(C)c1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000150844854 568263850 /nfs/dbraw/zinc/26/38/50/568263850.db2.gz QYKVNTIOTVOLET-QGZVFWFLSA-N 1 0 373.497 3.983 20 5 FHBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000569310223 568361635 /nfs/dbraw/zinc/36/16/35/568361635.db2.gz IKCZVYXOZXONMQ-QGZVFWFLSA-N 1 0 352.394 3.807 20 5 FHBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000569741558 568417268 /nfs/dbraw/zinc/41/72/68/568417268.db2.gz PSLXFCPSTNLPGG-JKSUJKDBSA-N 1 0 355.438 3.913 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482236579 568490591 /nfs/dbraw/zinc/49/05/91/568490591.db2.gz BFUDZQJYBVMQJE-UHFFFAOYSA-N 1 0 360.841 3.948 20 5 FHBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CCCC[C@H]2C2CC[NH2+]CC2)nc1Cl ZINC001164420721 718891808 /nfs/dbraw/zinc/89/18/08/718891808.db2.gz VOQISNZUHDHWEU-LBPRGKRZSA-N 1 0 374.819 3.547 20 5 FHBDRO Cc1cc(Cl)nc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001165046139 721968422 /nfs/dbraw/zinc/96/84/22/721968422.db2.gz BURVVYBTCFPFFZ-CQSZACIVSA-N 1 0 352.866 3.796 20 5 FHBDRO O=[N+]([O-])c1cc(F)cnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995347 722195693 /nfs/dbraw/zinc/19/56/93/722195693.db2.gz UWIKRXLHSPEMNL-LJQANCHMSA-N 1 0 374.391 3.513 20 5 FHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)c2c(c1)COCO2 ZINC000052034756 936343819 /nfs/dbraw/zinc/34/38/19/936343819.db2.gz KHPLAWAZHKPCDG-GOSISDBHSA-N 1 0 372.396 3.808 20 5 FHBDRO Cc1cc(NCc2nccn2-c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000582986209 936345532 /nfs/dbraw/zinc/34/55/32/936345532.db2.gz KWVMCUOLOLBYMO-UHFFFAOYSA-N 1 0 359.389 3.671 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3ccc(-n4cccn4)cc3)c2c1 ZINC000583107429 937123649 /nfs/dbraw/zinc/12/36/49/937123649.db2.gz RSBZKNPWRLNKFD-UHFFFAOYSA-N 1 0 361.405 3.594 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000120077811 927076340 /nfs/dbraw/zinc/07/63/40/927076340.db2.gz JLSHKIGELLDEFD-UHFFFAOYSA-N 1 0 370.453 3.807 20 5 FHBDRO CC[C@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000535810285 927769122 /nfs/dbraw/zinc/76/91/22/927769122.db2.gz BOOOBWONVHBRJP-JXFKEZNVSA-N 1 0 355.438 3.565 20 5 FHBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000302041871 928033347 /nfs/dbraw/zinc/03/33/47/928033347.db2.gz IKUMJLFUBZKHAD-QWHCGFSZSA-N 1 0 351.422 3.807 20 5 FHBDRO CC[NH+](CC)CCS[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000083092810 928160572 /nfs/dbraw/zinc/16/05/72/928160572.db2.gz CZHBVPQQTYJZSC-NSHDSACASA-N 1 0 359.879 3.650 20 5 FHBDRO Cc1ccc([C@@H]2CCCC[N@@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000610215321 928171367 /nfs/dbraw/zinc/17/13/67/928171367.db2.gz ZJWGXJGTPVTHGY-FPOVZHCZSA-N 1 0 370.449 3.870 20 5 FHBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ncc(Br)cc1F ZINC000187164097 928217018 /nfs/dbraw/zinc/21/70/18/928217018.db2.gz DCPJJEZSAGNJRN-SNVBAGLBSA-N 1 0 368.206 3.785 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000610220706 928280764 /nfs/dbraw/zinc/28/07/64/928280764.db2.gz ZIAXSQXQVUEYRS-UHFFFAOYSA-N 1 0 359.470 3.822 20 5 FHBDRO CCC[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000126942986 928325991 /nfs/dbraw/zinc/32/59/91/928325991.db2.gz BLRIQBFFDJDIQM-PKOBYXMFSA-N 1 0 359.470 3.817 20 5 FHBDRO CC(C)[N@H+](Cc1cn(C)nc1-c1cccnc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000154463625 928852815 /nfs/dbraw/zinc/85/28/15/928852815.db2.gz ZPBHYCZNFGQIRR-UHFFFAOYSA-N 1 0 365.437 3.801 20 5 FHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000608941391 928912461 /nfs/dbraw/zinc/91/24/61/928912461.db2.gz IKNWPKSGQQJQTQ-UHFFFAOYSA-N 1 0 357.385 3.585 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)N(C)Cc1ccccc1 ZINC000609544514 929220415 /nfs/dbraw/zinc/22/04/15/929220415.db2.gz YWGQGUCGOWEPBH-MRXNPFEDSA-N 1 0 357.454 3.604 20 5 FHBDRO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)cn2)n1 ZINC000162829849 937318530 /nfs/dbraw/zinc/31/85/30/937318530.db2.gz PWGHFWYBFHARQY-HNNXBMFYSA-N 1 0 351.410 3.643 20 5 FHBDRO Cc1c(NC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000610317616 929885298 /nfs/dbraw/zinc/88/52/98/929885298.db2.gz IXBMBSVSLPMLGY-QGZVFWFLSA-N 1 0 368.437 3.641 20 5 FHBDRO C[NH+](C)CCc1ccccc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000275686619 929914146 /nfs/dbraw/zinc/91/41/46/929914146.db2.gz QRBZEKMOLUHVIX-UHFFFAOYSA-N 1 0 373.428 3.754 20 5 FHBDRO C[C@H](O)C[N@H+](Cc1cc([N+](=O)[O-])ccc1Br)C1CCCCC1 ZINC001167331819 929943712 /nfs/dbraw/zinc/94/37/12/929943712.db2.gz ASTJUERQGKDWML-LBPRGKRZSA-N 1 0 371.275 3.873 20 5 FHBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cncc(Br)c1 ZINC000580096748 930242780 /nfs/dbraw/zinc/24/27/80/930242780.db2.gz OQZSYLKLLJPTSC-LLVKDONJSA-N 1 0 350.216 3.646 20 5 FHBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(F)cc1 ZINC000516616598 945069673 /nfs/dbraw/zinc/06/96/73/945069673.db2.gz LQVAQCMVKHBZPY-KDOFPFPSSA-N 1 0 362.401 3.557 20 5 FHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000572855685 930347588 /nfs/dbraw/zinc/34/75/88/930347588.db2.gz IXVJOBMKUNKMLQ-LJQANCHMSA-N 1 0 352.434 3.920 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000275809053 930388756 /nfs/dbraw/zinc/38/87/56/930388756.db2.gz MDNOISKKYVVGQW-OAHLLOKOSA-N 1 0 365.861 3.647 20 5 FHBDRO CC[C@@H]([NH2+]C[C@@H](c1ccc(C)o1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000118959711 930459912 /nfs/dbraw/zinc/45/99/12/930459912.db2.gz PZTXNWATVNSGGQ-MOPGFXCFSA-N 1 0 373.453 3.610 20 5 FHBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379666638 930509877 /nfs/dbraw/zinc/50/98/77/930509877.db2.gz XFMQBKIFRHJLFD-PBHICJAKSA-N 1 0 357.458 3.585 20 5 FHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000610133900 930796380 /nfs/dbraw/zinc/79/63/80/930796380.db2.gz IRCNBXCMHCJKKL-MRXNPFEDSA-N 1 0 357.429 3.830 20 5 FHBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000261900829 930892844 /nfs/dbraw/zinc/89/28/44/930892844.db2.gz WOQLTRAPJWWICJ-KGLIPLIRSA-N 1 0 371.462 3.555 20 5 FHBDRO C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000548115388 930893693 /nfs/dbraw/zinc/89/36/93/930893693.db2.gz FFHBMBKIUSLPFA-SWLSCSKDSA-N 1 0 374.466 3.825 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@]4(CC[NH2+]C4)C3)o2)c(Cl)c1 ZINC000261969885 930960218 /nfs/dbraw/zinc/96/02/18/930960218.db2.gz IAYIEQQLHDHCBU-SFHVURJKSA-N 1 0 361.829 3.694 20 5 FHBDRO Cn1cc(Br)cc1C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000537724461 931218499 /nfs/dbraw/zinc/21/84/99/931218499.db2.gz DPGFFLSNYWKTID-ALCCZGGFSA-N 1 0 364.243 3.841 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000126186911 931562650 /nfs/dbraw/zinc/56/26/50/931562650.db2.gz CKIAKDXSJLWPLE-ZWOKBUDYSA-N 1 0 368.481 3.859 20 5 FHBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000610505259 932014499 /nfs/dbraw/zinc/01/44/99/932014499.db2.gz DPJTZCGYGZTYMQ-KRWDZBQOSA-N 1 0 373.384 3.518 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505244 932016487 /nfs/dbraw/zinc/01/64/87/932016487.db2.gz DFVKIPBUGDFNBC-SFHVURJKSA-N 1 0 357.385 3.818 20 5 FHBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]2c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000610505303 932016782 /nfs/dbraw/zinc/01/67/82/932016782.db2.gz GGSVIAMMQYCXEP-GOSISDBHSA-N 1 0 357.385 3.818 20 5 FHBDRO CC(C)[NH+](CCS[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)C ZINC000160938914 932218662 /nfs/dbraw/zinc/21/86/62/932218662.db2.gz PKPGNAQBIARSLM-KRWDZBQOSA-N 1 0 365.499 3.552 20 5 FHBDRO Cc1sc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000430654454 932614254 /nfs/dbraw/zinc/61/42/54/932614254.db2.gz RTIMHEDBONVMBG-CJNGLKHVSA-N 1 0 373.478 3.748 20 5 FHBDRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000891570197 932775718 /nfs/dbraw/zinc/77/57/18/932775718.db2.gz XLFANOPFSPLOJX-OAHLLOKOSA-N 1 0 370.453 3.512 20 5 FHBDRO O=[N+]([O-])c1sccc1NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000610915131 932929982 /nfs/dbraw/zinc/92/99/82/932929982.db2.gz LLGOOUAHFGTHDV-UHFFFAOYSA-N 1 0 365.430 3.751 20 5 FHBDRO C[S@](=O)c1ccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000610574829 933155089 /nfs/dbraw/zinc/15/50/89/933155089.db2.gz KPGHVGLPQQKADU-SANMLTNESA-N 1 0 370.430 3.882 20 5 FHBDRO Cc1cc(C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000510533891 933195484 /nfs/dbraw/zinc/19/54/84/933195484.db2.gz AVVVPDNXYDCSLT-BEFAXECRSA-N 1 0 355.438 3.633 20 5 FHBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1C)[NH+](C)C ZINC000510545934 933209363 /nfs/dbraw/zinc/20/93/63/933209363.db2.gz MAEROZQQESJYLX-HNAYVOBHSA-N 1 0 355.438 3.633 20 5 FHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000610581384 933318987 /nfs/dbraw/zinc/31/89/87/933318987.db2.gz NLFRLRPULJWYBJ-LZWOXQAQSA-N 1 0 358.442 3.573 20 5 FHBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000430884056 933370003 /nfs/dbraw/zinc/37/00/03/933370003.db2.gz USFAFWRFUOLJOP-UHFFFAOYSA-N 1 0 367.877 3.736 20 5 FHBDRO COc1ccc(C[NH2+][C@H](C)CCc2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000510706854 933476726 /nfs/dbraw/zinc/47/67/26/933476726.db2.gz VGYNJIBAUDSQBQ-GFCCVEGCSA-N 1 0 350.365 3.993 20 5 FHBDRO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000178365960 933576085 /nfs/dbraw/zinc/57/60/85/933576085.db2.gz PUEHIVTWVDTQNI-SCLBCKFNSA-N 1 0 364.467 3.761 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000510852497 933867401 /nfs/dbraw/zinc/86/74/01/933867401.db2.gz WIMOFNIKECFNKZ-UHFFFAOYSA-N 1 0 355.438 3.673 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000610738865 934036645 /nfs/dbraw/zinc/03/66/45/934036645.db2.gz OXDPRHBDSUHIHD-UHFFFAOYSA-N 1 0 354.406 3.625 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCN1Cc2ccccc2C1)C1CC1 ZINC000610805590 934438920 /nfs/dbraw/zinc/43/89/20/934438920.db2.gz SESWYCYIHCXYDI-FQEVSTJZSA-N 1 0 351.450 3.521 20 5 FHBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2)CC2CCC2)c1 ZINC000065161298 934509404 /nfs/dbraw/zinc/50/94/04/934509404.db2.gz LCSWQBYMLXPBGO-FQEVSTJZSA-N 1 0 370.449 3.637 20 5 FHBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000277129131 934540062 /nfs/dbraw/zinc/54/00/62/934540062.db2.gz GGUUJARWHVRIDJ-MRXNPFEDSA-N 1 0 363.461 3.650 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](CO)Cc2ccco2)s1 ZINC000610871166 934550151 /nfs/dbraw/zinc/55/01/51/934550151.db2.gz MVLAIQRQXHYLKG-AWEZNQCLSA-N 1 0 372.446 3.857 20 5 FHBDRO Cc1cc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)ccc1C[NH+](C)C ZINC000458314808 934683773 /nfs/dbraw/zinc/68/37/73/934683773.db2.gz KVBSYHGGZLUWCQ-UHFFFAOYSA-N 1 0 359.451 3.696 20 5 FHBDRO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000277193451 934794765 /nfs/dbraw/zinc/79/47/65/934794765.db2.gz VBIWVDKKFGMSHB-NSHDSACASA-N 1 0 368.842 3.503 20 5 FHBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000071808897 934875792 /nfs/dbraw/zinc/87/57/92/934875792.db2.gz FCGMEGINDMJUPG-KRWDZBQOSA-N 1 0 368.437 3.553 20 5 FHBDRO Cc1c(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000380853494 934938976 /nfs/dbraw/zinc/93/89/76/934938976.db2.gz CXMVGKZTZZCPDC-RTWAWAEBSA-N 1 0 365.477 3.857 20 5 FHBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)c1cccc(F)c1 ZINC000024107877 934947053 /nfs/dbraw/zinc/94/70/53/934947053.db2.gz ZHMBVXSKKZDFJH-LJQANCHMSA-N 1 0 354.385 3.997 20 5 FHBDRO CC[C@H]([NH2+][C@H]1CCN(c2ccccc2OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000119690037 935029911 /nfs/dbraw/zinc/02/99/11/935029911.db2.gz ANBOTQKGNMLOHR-WMZOPIPTSA-N 1 0 355.438 3.923 20 5 FHBDRO CC[C@H]([NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000511051625 935092709 /nfs/dbraw/zinc/09/27/09/935092709.db2.gz RXSXKNDPBUACPO-MJGOQNOKSA-N 1 0 368.437 3.942 20 5 FHBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000539248563 935110335 /nfs/dbraw/zinc/11/03/35/935110335.db2.gz VVOUXLFMOCOVCT-GFCCVEGCSA-N 1 0 352.337 3.926 20 5 FHBDRO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C12CCCCC2 ZINC001167539096 935151544 /nfs/dbraw/zinc/15/15/44/935151544.db2.gz IUHPBQRTNYQEAQ-GBESFXJTSA-N 1 0 362.470 3.688 20 5 FHBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511061336 935187960 /nfs/dbraw/zinc/18/79/60/935187960.db2.gz ABZJGCWGIXWXOG-ZDUSSCGKSA-N 1 0 368.359 3.727 20 5 FHBDRO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccn1 ZINC000119857723 935298462 /nfs/dbraw/zinc/29/84/62/935298462.db2.gz MFNSFKJVDVLGLU-UHFFFAOYSA-N 1 0 352.394 3.709 20 5 FHBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000548722813 935505689 /nfs/dbraw/zinc/50/56/89/935505689.db2.gz YGAGSSPNICYRON-UHFFFAOYSA-N 1 0 363.417 3.901 20 5 FHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(OCC(F)(F)F)nc1 ZINC000511104125 935581136 /nfs/dbraw/zinc/58/11/36/935581136.db2.gz GNHLGBBNPDOCRI-UHFFFAOYSA-N 1 0 369.343 3.605 20 5 FHBDRO CCc1ccc(NC(=O)[C@H](C)N(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511128533 935729080 /nfs/dbraw/zinc/72/90/80/935729080.db2.gz XGSZNLVBJIYJKZ-HNNXBMFYSA-N 1 0 355.438 3.659 20 5 FHBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)c2C1 ZINC000158364500 935754698 /nfs/dbraw/zinc/75/46/98/935754698.db2.gz FNRBLGDEAXFTDX-UHFFFAOYSA-N 1 0 357.385 3.958 20 5 FHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000478978163 935770519 /nfs/dbraw/zinc/77/05/19/935770519.db2.gz BMSYJIDMVSTHII-UHFFFAOYSA-N 1 0 365.499 3.701 20 5 FHBDRO C[C@H]([NH2+]CCCCn1cc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000479462221 935839207 /nfs/dbraw/zinc/83/92/07/935839207.db2.gz FSYNNLKNLDQOGF-LBPRGKRZSA-N 1 0 367.247 3.685 20 5 FHBDRO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178640370 935961025 /nfs/dbraw/zinc/96/10/25/935961025.db2.gz FVJCWUOSWVAVCV-HNNXBMFYSA-N 1 0 353.422 3.550 20 5 FHBDRO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000480107521 935964225 /nfs/dbraw/zinc/96/42/25/935964225.db2.gz XDRTZACMIPVMTB-OALUTQOASA-N 1 0 367.449 3.852 20 5 FHBDRO Cc1cc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)ncc1[N+](=O)[O-] ZINC000431479782 936000640 /nfs/dbraw/zinc/00/06/40/936000640.db2.gz XQKYFOFPMPKJHG-UHFFFAOYSA-N 1 0 366.465 3.791 20 5 FHBDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000611792892 936050014 /nfs/dbraw/zinc/05/00/14/936050014.db2.gz VGXZQMPUTSWXQD-CYBMUJFWSA-N 1 0 354.834 3.804 20 5 FHBDRO CC[NH+](CC)CCCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277874087 936068808 /nfs/dbraw/zinc/06/88/08/936068808.db2.gz CBBWHWUBXLHHOZ-UHFFFAOYSA-N 1 0 365.477 3.945 20 5 FHBDRO Cc1c(C[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC001167618852 936140071 /nfs/dbraw/zinc/14/00/71/936140071.db2.gz HJFGLUYGSBSLQA-UHFFFAOYSA-N 1 0 365.474 3.886 20 5 FHBDRO CC(C)(C)[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612092590 936161695 /nfs/dbraw/zinc/16/16/95/936161695.db2.gz ALPUREZYWUFDHP-QGZVFWFLSA-N 1 0 358.438 3.635 20 5 FHBDRO Cc1ccccc1CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680452 936172714 /nfs/dbraw/zinc/17/27/14/936172714.db2.gz PLIOJUOOMDMHBZ-DLBZAZTESA-N 1 0 369.465 3.610 20 5 FHBDRO Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680495 936172998 /nfs/dbraw/zinc/17/29/98/936172998.db2.gz PLIOJUOOMDMHBZ-SJORKVTESA-N 1 0 369.465 3.610 20 5 FHBDRO CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000178684149 936204915 /nfs/dbraw/zinc/20/49/15/936204915.db2.gz BOKRIIOFXFGYAJ-JKSUJKDBSA-N 1 0 355.438 3.995 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)cnc1NCCc1nccn1Cc1ccccc1 ZINC000153559111 936268267 /nfs/dbraw/zinc/26/82/67/936268267.db2.gz VHRKWPNICNWZRE-UHFFFAOYSA-N 1 0 357.801 3.543 20 5 FHBDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)Cc3ccccc3[N+](=O)[O-])C2)s1 ZINC000582931545 936302623 /nfs/dbraw/zinc/30/26/23/936302623.db2.gz YIPHLEAVGAHIED-INIZCTEOSA-N 1 0 359.495 3.919 20 5 FHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000583822221 938432197 /nfs/dbraw/zinc/43/21/97/938432197.db2.gz FZHWCJQXQMEKSW-SFHVURJKSA-N 1 0 352.438 3.757 20 5 FHBDRO Cc1cnc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)nc1 ZINC000536163046 938484228 /nfs/dbraw/zinc/48/42/28/938484228.db2.gz MVSSNQLETIBLMD-UHFFFAOYSA-N 1 0 354.435 3.754 20 5 FHBDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccccc1 ZINC000179012218 938488670 /nfs/dbraw/zinc/48/86/70/938488670.db2.gz IKMWVIFYXWPGPC-SJORKVTESA-N 1 0 374.828 3.815 20 5 FHBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000047453369 945183674 /nfs/dbraw/zinc/18/36/74/945183674.db2.gz NEEFIUBKJFGCPH-CYBMUJFWSA-N 1 0 359.451 3.776 20 5 FHBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000432140876 945183849 /nfs/dbraw/zinc/18/38/49/945183849.db2.gz YFHCKPMPDPOWOY-UHFFFAOYSA-N 1 0 367.877 3.577 20 5 FHBDRO C[NH+](C)Cc1cccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000179037686 938576862 /nfs/dbraw/zinc/57/68/62/938576862.db2.gz ZSPILJHYYTXOOS-UHFFFAOYSA-N 1 0 368.437 3.853 20 5 FHBDRO CC(C)C(=O)N1CCC([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000278608643 938578744 /nfs/dbraw/zinc/57/87/44/938578744.db2.gz AXRYFDVVVXPEFS-GOSISDBHSA-N 1 0 359.470 3.554 20 5 FHBDRO Cc1c(NC(=O)CC[N@H+](C)CCCc2ccccc2)cccc1[N+](=O)[O-] ZINC000052802808 938597006 /nfs/dbraw/zinc/59/70/06/938597006.db2.gz FDQZLJFYMYVBGX-UHFFFAOYSA-N 1 0 355.438 3.796 20 5 FHBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000584193528 938634749 /nfs/dbraw/zinc/63/47/49/938634749.db2.gz UHABCNWCTFDCIV-KRWDZBQOSA-N 1 0 357.458 3.677 20 5 FHBDRO COc1ccc(C[NH+]2CCC(CNc3cc(C)c([N+](=O)[O-])cn3)CC2)cc1 ZINC000074744401 938706025 /nfs/dbraw/zinc/70/60/25/938706025.db2.gz WDIIUQLGEXMBGB-UHFFFAOYSA-N 1 0 370.453 3.631 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC3(O)CCC3)o2)c(Cl)c1 ZINC000584365926 938710211 /nfs/dbraw/zinc/71/02/11/938710211.db2.gz RPEXFSZPOQRYCE-UHFFFAOYSA-N 1 0 350.802 3.903 20 5 FHBDRO C[NH+](C)Cc1cccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000584383772 938786649 /nfs/dbraw/zinc/78/66/49/938786649.db2.gz PMJQACRRRFWRCV-UHFFFAOYSA-N 1 0 359.401 3.712 20 5 FHBDRO CC(C)[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000548826138 938820184 /nfs/dbraw/zinc/82/01/84/938820184.db2.gz WKSFDWCFRPYOBZ-QGZVFWFLSA-N 1 0 355.438 3.953 20 5 FHBDRO Cc1c(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cccc1[N+](=O)[O-] ZINC000140194141 938945316 /nfs/dbraw/zinc/94/53/16/938945316.db2.gz GZEYNYUEIGEPPT-OAHLLOKOSA-N 1 0 373.478 3.607 20 5 FHBDRO COc1ccc(OCC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000480456604 938954403 /nfs/dbraw/zinc/95/44/03/938954403.db2.gz ZBODVNKPLHCOTJ-LJQANCHMSA-N 1 0 356.422 3.593 20 5 FHBDRO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511294230 938991757 /nfs/dbraw/zinc/99/17/57/938991757.db2.gz QNCNZNKKYUVMKH-UONOGXRCSA-N 1 0 371.437 3.724 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000611935123 938993012 /nfs/dbraw/zinc/99/30/12/938993012.db2.gz KQUUUTCEOSSHLG-HXUWFJFHSA-N 1 0 369.465 3.920 20 5 FHBDRO O=[N+]([O-])c1ccc2oc(CN[C@H](C[NH+]3CCCC3)c3ccccc3)nc2c1 ZINC000611935209 938993080 /nfs/dbraw/zinc/99/30/80/938993080.db2.gz CVZGKTWPICLVAU-GOSISDBHSA-N 1 0 366.421 3.663 20 5 FHBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc(F)c1 ZINC000472351504 939014418 /nfs/dbraw/zinc/01/44/18/939014418.db2.gz SQDWFAGQFRISGH-WNYOCNMUSA-N 1 0 374.412 3.557 20 5 FHBDRO CSc1cccc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000188078240 939017693 /nfs/dbraw/zinc/01/76/93/939017693.db2.gz BEHBGUVCSQGGBQ-UGSOOPFHSA-N 1 0 365.499 3.557 20 5 FHBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000511826878 945223953 /nfs/dbraw/zinc/22/39/53/945223953.db2.gz SXGGBWQUQRPNML-HUUCEWRRSA-N 1 0 368.359 3.736 20 5 FHBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000507441082 945224394 /nfs/dbraw/zinc/22/43/94/945224394.db2.gz LRLULYQRZMKKKF-ZIAGYGMSSA-N 1 0 373.453 3.827 20 5 FHBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000507449766 945243861 /nfs/dbraw/zinc/24/38/61/945243861.db2.gz IZRCDGJDZPWMEP-CHWSQXEVSA-N 1 0 367.877 3.735 20 5 FHBDRO O=[N+]([O-])c1cccc2c(N3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)ccnc21 ZINC000432172685 945263491 /nfs/dbraw/zinc/26/34/91/945263491.db2.gz QDVWUSAFEVEIDC-HDICACEKSA-N 1 0 374.444 3.711 20 5 FHBDRO O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000511845872 945266378 /nfs/dbraw/zinc/26/63/78/945266378.db2.gz XUFOPIZIRRQYCI-SCTDSRPQSA-N 1 0 365.433 3.801 20 5 FHBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000518265535 945269883 /nfs/dbraw/zinc/26/98/83/945269883.db2.gz ZFQSXFOYURZMET-CYBMUJFWSA-N 1 0 371.428 3.796 20 5 FHBDRO CC(C)Oc1ccc([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000179529044 939881947 /nfs/dbraw/zinc/88/19/47/939881947.db2.gz FTFWVRMWYZRKOZ-OAHLLOKOSA-N 1 0 371.437 3.696 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000179596289 939896276 /nfs/dbraw/zinc/89/62/76/939896276.db2.gz JLZTTWOFLPSRJW-UHFFFAOYSA-N 1 0 359.470 3.611 20 5 FHBDRO CC(C)[NH2+]C1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000179831923 939967291 /nfs/dbraw/zinc/96/72/91/939967291.db2.gz VGISMSPCDIUJQO-UHFFFAOYSA-N 1 0 360.483 3.681 20 5 FHBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000411156864 940004841 /nfs/dbraw/zinc/00/48/41/940004841.db2.gz RUZDTNDWMQQESY-GOSISDBHSA-N 1 0 369.421 3.551 20 5 FHBDRO Cc1nc(C(C)(C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])sc1C ZINC000411392939 940037482 /nfs/dbraw/zinc/03/74/82/940037482.db2.gz WEIAKDPSVLXHCT-UHFFFAOYSA-N 1 0 362.455 3.522 20 5 FHBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000136603832 940054331 /nfs/dbraw/zinc/05/43/31/940054331.db2.gz IPJZDEVAPSYHAW-STQMWFEESA-N 1 0 367.877 3.735 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000612444840 940072398 /nfs/dbraw/zinc/07/23/98/940072398.db2.gz WSXNTSGQJGPOAB-CVEARBPZSA-N 1 0 369.469 3.629 20 5 FHBDRO CCOc1cc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000365196604 940080388 /nfs/dbraw/zinc/08/03/88/940080388.db2.gz AYYLPXNPHYMJOE-PXNSSMCTSA-N 1 0 356.422 3.861 20 5 FHBDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000158935683 940114177 /nfs/dbraw/zinc/11/41/77/940114177.db2.gz RFRFXPPYVOOGAR-ZBFHGGJFSA-N 1 0 371.437 3.542 20 5 FHBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000411998698 940180296 /nfs/dbraw/zinc/18/02/96/940180296.db2.gz LNHMUUKNOXNRHB-FQEVSTJZSA-N 1 0 368.433 3.827 20 5 FHBDRO COc1c(O)ccc(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)c1[N+](=O)[O-] ZINC000892508190 940209777 /nfs/dbraw/zinc/20/97/77/940209777.db2.gz NQRVKEFFFFFGTE-JTQLQIEISA-N 1 0 368.336 3.761 20 5 FHBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000782650912 940303999 /nfs/dbraw/zinc/30/39/99/940303999.db2.gz JMTUOMJJRHURTG-NSHDSACASA-N 1 0 367.755 3.753 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@@H](c4ncc[nH]4)C3)cs2)c1 ZINC000092071448 940317469 /nfs/dbraw/zinc/31/74/69/940317469.db2.gz KVHXUEOIYNNPFI-CQSZACIVSA-N 1 0 369.450 3.821 20 5 FHBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000612955431 940358676 /nfs/dbraw/zinc/35/86/76/940358676.db2.gz ZMEXLEBVZSWZIP-BDHPRHBFSA-N 1 0 354.410 3.879 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000580017290 940431900 /nfs/dbraw/zinc/43/19/00/940431900.db2.gz YHWKLMJVUPRSDZ-HNAYVOBHSA-N 1 0 372.469 3.638 20 5 FHBDRO C[C@H](C(=O)N(C)C(C)(C)C[NH+]1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000580029366 940435683 /nfs/dbraw/zinc/43/56/83/940435683.db2.gz IPUWVYJOOFYSNV-INIZCTEOSA-N 1 0 361.486 3.811 20 5 FHBDRO COc1cc2c(cc1C[NH2+][C@H]1CCc3c1cccc3[N+](=O)[O-])O[C@H](C)C2 ZINC000580094003 940451266 /nfs/dbraw/zinc/45/12/66/940451266.db2.gz LAQGNRWXWWECQR-PXAZEXFGSA-N 1 0 354.406 3.704 20 5 FHBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](Cc2csc3ccccc23)C1 ZINC000466923141 940463730 /nfs/dbraw/zinc/46/37/30/940463730.db2.gz AAQILMXUUJMSBF-CQSZACIVSA-N 1 0 370.478 3.998 20 5 FHBDRO C[N@@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)CC2 ZINC000580267021 940471427 /nfs/dbraw/zinc/47/14/27/940471427.db2.gz RVIDKFQGHUHBOB-UHFFFAOYSA-N 1 0 370.428 3.861 20 5 FHBDRO CCC[N@H+](CC(=O)N(C)C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000511475079 940506430 /nfs/dbraw/zinc/50/64/30/940506430.db2.gz UAFPJAYYJGCGQH-UHFFFAOYSA-N 1 0 361.467 3.624 20 5 FHBDRO COCC(C)(C)CCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000290189058 940644939 /nfs/dbraw/zinc/64/49/39/940644939.db2.gz SSUBLVXGTZQHHU-UHFFFAOYSA-N 1 0 360.458 3.538 20 5 FHBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cn1 ZINC000414157551 940692055 /nfs/dbraw/zinc/69/20/55/940692055.db2.gz WLMRNLCAODIUOD-NSHDSACASA-N 1 0 369.343 3.738 20 5 FHBDRO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCC[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000414204266 940761956 /nfs/dbraw/zinc/76/19/56/940761956.db2.gz WCEBRCDYYYRQJF-YTQUADARSA-N 1 0 354.454 3.834 20 5 FHBDRO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000414204261 940762004 /nfs/dbraw/zinc/76/20/04/940762004.db2.gz WCEBRCDYYYRQJF-QXAKKESOSA-N 1 0 354.454 3.834 20 5 FHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnccc1C(C)(C)C ZINC000414233677 940810978 /nfs/dbraw/zinc/81/09/78/940810978.db2.gz RPRMPELYDADRDF-AWEZNQCLSA-N 1 0 370.453 3.794 20 5 FHBDRO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000310870101 940962664 /nfs/dbraw/zinc/96/26/64/940962664.db2.gz ZIHRSEWTHWYFRG-GOSISDBHSA-N 1 0 351.447 3.624 20 5 FHBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000066676390 940997106 /nfs/dbraw/zinc/99/71/06/940997106.db2.gz NCGOARZNUWKCQU-UHFFFAOYSA-N 1 0 367.449 3.579 20 5 FHBDRO CC(C)[C@H](NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000180435538 941014508 /nfs/dbraw/zinc/01/45/08/941014508.db2.gz LYAOFONAUSXDHH-QRWLVFNGSA-N 1 0 355.438 3.759 20 5 FHBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000180437141 941014791 /nfs/dbraw/zinc/01/47/91/941014791.db2.gz VQOOGVIUVDOLPC-LLVKDONJSA-N 1 0 367.327 3.903 20 5 FHBDRO CCOc1cccc([C@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000180709350 941067665 /nfs/dbraw/zinc/06/76/65/941067665.db2.gz BVQCZUDUPKVGMN-HNNXBMFYSA-N 1 0 371.437 3.981 20 5 FHBDRO CC[C@@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180723111 941068787 /nfs/dbraw/zinc/06/87/87/941068787.db2.gz HXJYTRJKQZHXEV-GOSISDBHSA-N 1 0 359.401 3.595 20 5 FHBDRO CC[C@@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1cccc([N+](=O)[O-])c1 ZINC000180864230 941086801 /nfs/dbraw/zinc/08/68/01/941086801.db2.gz CIINRJXEKGUQMF-MRXNPFEDSA-N 1 0 356.401 3.904 20 5 FHBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000189498458 941159222 /nfs/dbraw/zinc/15/92/22/941159222.db2.gz JBPWMNNWNXGYRK-HUUCEWRRSA-N 1 0 362.455 3.799 20 5 FHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000189595606 941213798 /nfs/dbraw/zinc/21/37/98/941213798.db2.gz DTZNRPCLCZHDIO-BXUZGUMPSA-N 1 0 366.767 3.821 20 5 FHBDRO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000311308306 941222667 /nfs/dbraw/zinc/22/26/67/941222667.db2.gz WCOFXRVXILXPPU-ZBFHGGJFSA-N 1 0 363.458 3.781 20 5 FHBDRO CC[C@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000311310768 941224373 /nfs/dbraw/zinc/22/43/73/941224373.db2.gz VBSOCJBLSFLYLU-DLBZAZTESA-N 1 0 363.458 3.939 20 5 FHBDRO Cc1ccc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000311301090 941226604 /nfs/dbraw/zinc/22/66/04/941226604.db2.gz HVUWOABGZYUWGE-MRXNPFEDSA-N 1 0 365.474 3.932 20 5 FHBDRO CC(C)CCSc1ccc(C(=O)NC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000236602339 941249234 /nfs/dbraw/zinc/24/92/34/941249234.db2.gz MYXUNQUAFUXOSY-UHFFFAOYSA-N 1 0 365.499 3.733 20 5 FHBDRO C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178643944 941290203 /nfs/dbraw/zinc/29/02/03/941290203.db2.gz SZEDUXMONHQCJS-KRWDZBQOSA-N 1 0 353.466 3.953 20 5 FHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2c[nH]c3ccccc23)n1 ZINC000472632878 941291490 /nfs/dbraw/zinc/29/14/90/941291490.db2.gz WIGPGDJWNSDTFG-ROUUACIJSA-N 1 0 353.426 3.589 20 5 FHBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc(-c4cccnc4)c3)CC2)n1 ZINC000376650323 941371864 /nfs/dbraw/zinc/37/18/64/941371864.db2.gz FROZLKGTQMKGCV-UHFFFAOYSA-N 1 0 363.421 3.690 20 5 FHBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1Cl ZINC000311785842 941380162 /nfs/dbraw/zinc/38/01/62/941380162.db2.gz LKEJGULTTWRBQR-OAHLLOKOSA-N 1 0 373.840 3.500 20 5 FHBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1Cl ZINC000311785839 941380339 /nfs/dbraw/zinc/38/03/39/941380339.db2.gz LKEJGULTTWRBQR-HNNXBMFYSA-N 1 0 373.840 3.500 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(CNCCC[NH2+]Cc3cccnc3)o2)cc1 ZINC000414879501 941498606 /nfs/dbraw/zinc/49/86/06/941498606.db2.gz OUQMASWKCVPFGQ-UHFFFAOYSA-N 1 0 366.421 3.519 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000414948945 941524543 /nfs/dbraw/zinc/52/45/43/941524543.db2.gz MXRQDQXRMQCFIA-ISRNJUKQSA-N 1 0 373.403 3.622 20 5 FHBDRO COc1ccc(OCC[N@@H+]2CCC(C)=C(c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000549158912 941555286 /nfs/dbraw/zinc/55/52/86/941555286.db2.gz FIVABVSYDDWNMU-UHFFFAOYSA-N 1 0 358.394 3.755 20 5 FHBDRO CC(C)c1cccc(NC(=O)CN(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000549170906 941577144 /nfs/dbraw/zinc/57/71/44/941577144.db2.gz FPNPTUHKOMYPHV-UHFFFAOYSA-N 1 0 355.438 3.831 20 5 FHBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415192838 941662172 /nfs/dbraw/zinc/66/21/72/941662172.db2.gz LGWOJPGYHMFPEK-ACJLOTCBSA-N 1 0 370.409 3.507 20 5 FHBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000729333245 941720837 /nfs/dbraw/zinc/72/08/37/941720837.db2.gz SSKNQOSLUKMTRO-RAXLEYEMSA-N 1 0 359.470 3.579 20 5 FHBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000182335002 941736871 /nfs/dbraw/zinc/73/68/71/941736871.db2.gz PHBBNJVBYXOZDL-ZIAGYGMSSA-N 1 0 357.410 3.590 20 5 FHBDRO Cc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(-c2cnn(C)c2)c1 ZINC000549247494 941740947 /nfs/dbraw/zinc/74/09/47/941740947.db2.gz ZBCKCUUFQJVZKV-UHFFFAOYSA-N 1 0 350.422 3.636 20 5 FHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473521429 941743753 /nfs/dbraw/zinc/74/37/53/941743753.db2.gz OVGAQXSBOOAPIU-INMHGKMJSA-N 1 0 354.454 3.985 20 5 FHBDRO O=C1[C@@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000513258671 941822246 /nfs/dbraw/zinc/82/22/46/941822246.db2.gz XSNGYRLGCOPGJC-ZCNNSNEGSA-N 1 0 365.433 3.626 20 5 FHBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000415480569 941851210 /nfs/dbraw/zinc/85/12/10/941851210.db2.gz HPFIYELVWIQSBZ-MRXNPFEDSA-N 1 0 356.426 3.596 20 5 FHBDRO COc1ccccc1O[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000513392650 941888618 /nfs/dbraw/zinc/88/86/18/941888618.db2.gz VLELKPSRABAXHO-SFHVURJKSA-N 1 0 356.422 3.689 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000415581969 941922886 /nfs/dbraw/zinc/92/28/86/941922886.db2.gz OGKVXYPNBRPVMQ-UHFFFAOYSA-N 1 0 356.426 3.595 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000182660191 941949309 /nfs/dbraw/zinc/94/93/09/941949309.db2.gz NJKDRHGNCMEJSC-RDJZCZTQSA-N 1 0 373.497 3.935 20 5 FHBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCN(C2CC2)C1 ZINC000513503538 941966806 /nfs/dbraw/zinc/96/68/06/941966806.db2.gz SWMKDAXDRQGRLH-HNNXBMFYSA-N 1 0 357.479 3.992 20 5 FHBDRO C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182817178 941971713 /nfs/dbraw/zinc/97/17/13/941971713.db2.gz MTLCLZHGEVLJCV-DZGCQCFKSA-N 1 0 372.469 3.544 20 5 FHBDRO C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182817222 941972081 /nfs/dbraw/zinc/97/20/81/941972081.db2.gz MTLCLZHGEVLJCV-ZFWWWQNUSA-N 1 0 372.469 3.544 20 5 FHBDRO CC(C)(C)c1ccc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000415688543 942002691 /nfs/dbraw/zinc/00/26/91/942002691.db2.gz IXIHCGAEJPVAMK-UHFFFAOYSA-N 1 0 374.485 3.890 20 5 FHBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000513543327 942004287 /nfs/dbraw/zinc/00/42/87/942004287.db2.gz RNPLEADGOOVNSE-IAQYHMDHSA-N 1 0 364.377 3.578 20 5 FHBDRO C/C(=C\c1ccccc1)C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501871809 942090816 /nfs/dbraw/zinc/09/08/16/942090816.db2.gz GSODVLRJODLXKJ-JQIJEIRASA-N 1 0 353.422 3.959 20 5 FHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000128364768 942092587 /nfs/dbraw/zinc/09/25/87/942092587.db2.gz IMXCYMCABXBLME-UHFFFAOYSA-N 1 0 365.499 3.746 20 5 FHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000468638927 942126662 /nfs/dbraw/zinc/12/66/62/942126662.db2.gz DCHQGODVIDVDBI-BOPFTXTBSA-N 1 0 365.477 3.687 20 5 FHBDRO C[NH2+]Cc1cccc(NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000415926143 942154766 /nfs/dbraw/zinc/15/47/66/942154766.db2.gz COOVFNPLTVAYIS-KRWDZBQOSA-N 1 0 368.437 3.726 20 5 FHBDRO CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000415940025 942171535 /nfs/dbraw/zinc/17/15/35/942171535.db2.gz CSKRYMMGALBIQF-CQSZACIVSA-N 1 0 356.426 3.895 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000103231898 942237497 /nfs/dbraw/zinc/23/74/97/942237497.db2.gz QUZRSDIJEHOCRT-QGZVFWFLSA-N 1 0 374.485 3.879 20 5 FHBDRO O=[N+]([O-])c1ccc2ccnc(NC3CC[NH+](Cc4ccncc4)CC3)c2c1 ZINC000413076723 942260417 /nfs/dbraw/zinc/26/04/17/942260417.db2.gz VRXYTIINAQQSSM-UHFFFAOYSA-N 1 0 363.421 3.615 20 5 FHBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000420940549 942265845 /nfs/dbraw/zinc/26/58/45/942265845.db2.gz DMTJHZZCJCYZER-ZDUSSCGKSA-N 1 0 373.375 3.896 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)c1C ZINC001125865661 942285420 /nfs/dbraw/zinc/28/54/20/942285420.db2.gz SYSQZFOLWURJMA-UHFFFAOYSA-N 1 0 373.428 3.555 20 5 FHBDRO CCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000501079908 942299170 /nfs/dbraw/zinc/29/91/70/942299170.db2.gz UUUVJHZIRARPLF-UHFFFAOYSA-N 1 0 359.401 3.975 20 5 FHBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000501127877 942313850 /nfs/dbraw/zinc/31/38/50/942313850.db2.gz GPRBDBDCQOCUHF-MRXNPFEDSA-N 1 0 362.455 3.861 20 5 FHBDRO Cc1ccccc1[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000501112609 942315445 /nfs/dbraw/zinc/31/54/45/942315445.db2.gz ZSBDMHAGFGNCKL-INIZCTEOSA-N 1 0 353.422 3.721 20 5 FHBDRO COc1cc(C)c(C[C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000502285458 942334097 /nfs/dbraw/zinc/33/40/97/942334097.db2.gz UEKROGMSVQNZDA-HNNXBMFYSA-N 1 0 358.438 3.684 20 5 FHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000502345147 942372411 /nfs/dbraw/zinc/37/24/11/942372411.db2.gz YCCBUDWVULYWGZ-QWHCGFSZSA-N 1 0 355.385 3.727 20 5 FHBDRO Cn1cc(C[NH2+]C[C@@H]2CCC(F)(F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000430044846 942393231 /nfs/dbraw/zinc/39/32/31/942393231.db2.gz WRJFNDCEMMWIFP-GFCCVEGCSA-N 1 0 350.369 3.520 20 5 FHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[NH2+]C1CCCCC1 ZINC000419915030 942443078 /nfs/dbraw/zinc/44/30/78/942443078.db2.gz BYBJSTIDPDTUEY-QGZVFWFLSA-N 1 0 361.486 3.592 20 5 FHBDRO CC(C)[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(F)cc1 ZINC000502504149 942482176 /nfs/dbraw/zinc/48/21/76/942482176.db2.gz YTMWFHKIXLNLKH-OALUTQOASA-N 1 0 371.412 3.826 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000085638776 942493377 /nfs/dbraw/zinc/49/33/77/942493377.db2.gz NOIJOTKCPUXIJC-UHFFFAOYSA-N 1 0 350.463 3.842 20 5 FHBDRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000421364202 942516303 /nfs/dbraw/zinc/51/63/03/942516303.db2.gz RNWLILKDPXZVGL-HDJSIYSDSA-N 1 0 373.478 3.705 20 5 FHBDRO CSc1ccccc1[C@@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000501547763 942532136 /nfs/dbraw/zinc/53/21/36/942532136.db2.gz DBUMBBCMMXVZDB-CYBMUJFWSA-N 1 0 359.451 3.630 20 5 FHBDRO CCC(=O)c1ccc(NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000366539092 942555193 /nfs/dbraw/zinc/55/51/93/942555193.db2.gz NTBZMSJEOYRFMT-JXFKEZNVSA-N 1 0 368.437 3.687 20 5 FHBDRO [NH3+][C@@H]1CCC[C@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000420275855 942601074 /nfs/dbraw/zinc/60/10/74/942601074.db2.gz HCXGPMPLBPPAHC-DTWKUNHWSA-N 1 0 368.306 3.573 20 5 FHBDRO Cc1ccc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000541389608 942671891 /nfs/dbraw/zinc/67/18/91/942671891.db2.gz RNWMDVFYPRLOSL-DOTOQJQBSA-N 1 0 353.422 3.720 20 5 FHBDRO COc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1OC(F)F ZINC000237241268 942699478 /nfs/dbraw/zinc/69/94/78/942699478.db2.gz VMXJBBLOCWRWOQ-UHFFFAOYSA-N 1 0 352.337 3.803 20 5 FHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000378408783 942726669 /nfs/dbraw/zinc/72/66/69/942726669.db2.gz AMCJTJXUDHCMIM-APWZRJJASA-N 1 0 371.481 3.770 20 5 FHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CCN(CCc2ccncc2)CC1 ZINC000378438400 942773203 /nfs/dbraw/zinc/77/32/03/942773203.db2.gz ZFVVLYOBMRSYTM-QGZVFWFLSA-N 1 0 368.481 3.690 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000421739725 942774601 /nfs/dbraw/zinc/77/46/01/942774601.db2.gz DQAPCHCRDDAEKR-UHFFFAOYSA-N 1 0 367.449 3.737 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000505435433 942778652 /nfs/dbraw/zinc/77/86/52/942778652.db2.gz VODJIWXACADUMP-UHFFFAOYSA-N 1 0 367.515 3.946 20 5 FHBDRO Cc1ccccc1C[C@@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000514169910 942796470 /nfs/dbraw/zinc/79/64/70/942796470.db2.gz METVGFAJLONEIP-FQEVSTJZSA-N 1 0 367.449 3.573 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000421761136 942802467 /nfs/dbraw/zinc/80/24/67/942802467.db2.gz YWXUJFUZPKBPJJ-GOSISDBHSA-N 1 0 373.497 3.796 20 5 FHBDRO CN(Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434743906 942935086 /nfs/dbraw/zinc/93/50/86/942935086.db2.gz GPTVEAXXMDDIGR-KXBFYZLASA-N 1 0 374.872 3.768 20 5 FHBDRO CC(C)(C)[NH+]1CCC(Oc2cccc([N+](=O)[O-])c2Br)CC1 ZINC001225760248 942982641 /nfs/dbraw/zinc/98/26/41/942982641.db2.gz CVUVHGPYFANDCV-UHFFFAOYSA-N 1 0 357.248 3.999 20 5 FHBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1ccco1 ZINC000422099223 942988429 /nfs/dbraw/zinc/98/84/29/942988429.db2.gz NOHWANYDTDSPQS-GDBMZVCRSA-N 1 0 359.426 3.664 20 5 FHBDRO COc1cc(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000425235762 943033210 /nfs/dbraw/zinc/03/32/10/943033210.db2.gz IWHYKKWVCZFFMU-CQSZACIVSA-N 1 0 356.426 3.636 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)c1C ZINC000888922128 943112749 /nfs/dbraw/zinc/11/27/49/943112749.db2.gz RLSXGMKKEJHSQZ-UHFFFAOYSA-N 1 0 371.437 3.794 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000545932525 943318471 /nfs/dbraw/zinc/31/84/71/943318471.db2.gz VVDGIQJKCCIIKG-BLLLJJGKSA-N 1 0 360.376 3.990 20 5 FHBDRO C[C@@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000435369025 943363320 /nfs/dbraw/zinc/36/33/20/943363320.db2.gz CNPFVFSSNYQWHJ-CXAGYDPISA-N 1 0 359.401 3.695 20 5 FHBDRO CCC[NH+]1CCC(N(C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000549466415 943406242 /nfs/dbraw/zinc/40/62/42/943406242.db2.gz HPBOAIVFDRKSRI-UHFFFAOYSA-N 1 0 359.392 3.920 20 5 FHBDRO Cc1ccc([C@@H](C)NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423277808 943469664 /nfs/dbraw/zinc/46/96/64/943469664.db2.gz OYEKFXKHKBZZHE-RDTXWAMCSA-N 1 0 355.438 3.807 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1cn3c(n1)CCCC3)CCCC2 ZINC000417320942 943514023 /nfs/dbraw/zinc/51/40/23/943514023.db2.gz KSPLVKGXPXORLR-IBGZPJMESA-N 1 0 354.454 3.727 20 5 FHBDRO Cn1nccc1[C@@H]1C[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000417325463 943516860 /nfs/dbraw/zinc/51/68/60/943516860.db2.gz CAKDWOSGBZREBN-ZTNFWEORSA-N 1 0 370.453 3.606 20 5 FHBDRO CNC(=O)c1ccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417326814 943517956 /nfs/dbraw/zinc/51/79/56/943517956.db2.gz RSDNSEBFCDAPRN-IBGZPJMESA-N 1 0 353.422 3.512 20 5 FHBDRO Cc1cc(N2CCC([NH2+][C@@H]3CCCCc4ccc([N+](=O)[O-])cc43)CC2)n[nH]1 ZINC000417332873 943522166 /nfs/dbraw/zinc/52/21/66/943522166.db2.gz OZMHCGGAMRDHSR-LJQANCHMSA-N 1 0 369.469 3.652 20 5 FHBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000515184419 943540431 /nfs/dbraw/zinc/54/04/31/943540431.db2.gz MBLVAIIJEQZNPP-XJKSGUPXSA-N 1 0 358.417 3.572 20 5 FHBDRO C[N@@H+]1CCC[C@H]2CN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC[C@H]21 ZINC000549470551 943579928 /nfs/dbraw/zinc/57/99/28/943579928.db2.gz AAIQPXGRUGGXCN-BLLLJJGKSA-N 1 0 357.376 3.530 20 5 FHBDRO CN(C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000435740327 943591532 /nfs/dbraw/zinc/59/15/32/943591532.db2.gz JXOZTURITYZYOV-KRWDZBQOSA-N 1 0 368.437 3.553 20 5 FHBDRO CC(C)c1ccc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)cc1[N+](=O)[O-] ZINC000423973957 943664180 /nfs/dbraw/zinc/66/41/80/943664180.db2.gz RIIOYDZTBWGSHR-UHFFFAOYSA-N 1 0 374.466 3.894 20 5 FHBDRO [NH3+][C@H](CCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)CC1CCCCC1 ZINC000424135324 943746792 /nfs/dbraw/zinc/74/67/92/943746792.db2.gz JHAAFPHNMWGEAX-GOSISDBHSA-N 1 0 359.470 3.557 20 5 FHBDRO COc1ccc(C[NH2+][C@@H]2CC23CC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000424188140 943777525 /nfs/dbraw/zinc/77/75/25/943777525.db2.gz WWZDYLVKDWKFJR-LJQANCHMSA-N 1 0 354.406 3.825 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)c(OC(F)F)c1 ZINC000302144440 943856139 /nfs/dbraw/zinc/85/61/39/943856139.db2.gz GXPJCWXLLDVHGV-ZDUSSCGKSA-N 1 0 355.385 3.651 20 5 FHBDRO C[NH+](C)Cc1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 ZINC000435942026 943873679 /nfs/dbraw/zinc/87/36/79/943873679.db2.gz NIYKUHPTBCREFM-UHFFFAOYSA-N 1 0 371.440 3.995 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(CO)c(F)c1 ZINC000504899544 943897272 /nfs/dbraw/zinc/89/72/72/943897272.db2.gz IKDSOCJKADLZSQ-OAHLLOKOSA-N 1 0 364.442 3.887 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CCO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000504917921 943897867 /nfs/dbraw/zinc/89/78/67/943897867.db2.gz DFNIBRYHZVMZKT-RHSMWYFYSA-N 1 0 350.459 3.975 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000504905245 943903068 /nfs/dbraw/zinc/90/30/68/943903068.db2.gz FTVZSUAEXPJTGY-PMPSAXMXSA-N 1 0 351.516 3.928 20 5 FHBDRO Cc1ccc([C@H](C)NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417855283 943906325 /nfs/dbraw/zinc/90/63/25/943906325.db2.gz QWYNWCWKXZODNB-CGTJXYLNSA-N 1 0 374.485 3.528 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]CCc2ccc(OC)cc2OC)cc1[N+](=O)[O-] ZINC000504911398 943908140 /nfs/dbraw/zinc/90/81/40/943908140.db2.gz FPDXPAHWQCKZON-AWEZNQCLSA-N 1 0 374.437 3.904 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](COC)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000504926994 943924988 /nfs/dbraw/zinc/92/49/88/943924988.db2.gz MAGXYZXSOKATFB-QAPCUYQASA-N 1 0 358.438 3.902 20 5 FHBDRO C[C@H](c1nc(-c2cccs2)no1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000517042803 943944847 /nfs/dbraw/zinc/94/48/47/943944847.db2.gz BNQZTTAYYCPOMJ-GFCCVEGCSA-N 1 0 358.423 3.942 20 5 FHBDRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000436050808 943974210 /nfs/dbraw/zinc/97/42/10/943974210.db2.gz KKCZCXZAVKICON-GJZGRUSLSA-N 1 0 360.483 3.532 20 5 FHBDRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])c1 ZINC000515539977 943974355 /nfs/dbraw/zinc/97/43/55/943974355.db2.gz IGVLXZYMJAKZTH-QGZVFWFLSA-N 1 0 372.421 3.828 20 5 FHBDRO CC[C@H](C)c1ccc([C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)cc1 ZINC000437636097 943981459 /nfs/dbraw/zinc/98/14/59/943981459.db2.gz MXLIEVWMIJZYSY-YSSFQJQWSA-N 1 0 374.485 3.653 20 5 FHBDRO O=C(CC[N@H+](CCc1ccc(F)cc1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000500066840 944046233 /nfs/dbraw/zinc/04/62/33/944046233.db2.gz IEMVKCCNDLZZMB-UHFFFAOYSA-N 1 0 371.412 3.770 20 5 FHBDRO O=C(CC[N@@H+]1CC[C@H](c2ccccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500069867 944052257 /nfs/dbraw/zinc/05/22/57/944052257.db2.gz KFAMBVTYNXOMLB-AWEZNQCLSA-N 1 0 357.385 3.552 20 5 FHBDRO Cc1ccc(C[C@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000500139426 944161992 /nfs/dbraw/zinc/16/19/92/944161992.db2.gz NZEABVHGGTXWIV-GOSISDBHSA-N 1 0 367.449 3.939 20 5 FHBDRO CC[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000436308772 944175534 /nfs/dbraw/zinc/17/55/34/944175534.db2.gz NDQRGBTWHZSRQX-AOIWGVFYSA-N 1 0 359.470 3.817 20 5 FHBDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000436308773 944176510 /nfs/dbraw/zinc/17/65/10/944176510.db2.gz NDQRGBTWHZSRQX-ZIFCJYIRSA-N 1 0 359.470 3.817 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCN(CC(F)F)C2)s1 ZINC000418143195 944206110 /nfs/dbraw/zinc/20/61/10/944206110.db2.gz ZXNLHNHHUKDRIZ-LBPRGKRZSA-N 1 0 367.421 3.752 20 5 FHBDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1(C)C ZINC000436390396 944259579 /nfs/dbraw/zinc/25/95/79/944259579.db2.gz OZEMNVZCGWTYTO-AZUAARDMSA-N 1 0 374.437 3.511 20 5 FHBDRO C[NH+](C)Cc1ccc(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])cc1F ZINC000436398080 944275097 /nfs/dbraw/zinc/27/50/97/944275097.db2.gz RRABLDAAVMTJTE-UHFFFAOYSA-N 1 0 372.322 3.821 20 5 FHBDRO CCC[N@H+](CCc1cccc(F)c1)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000500215999 944279298 /nfs/dbraw/zinc/27/92/98/944279298.db2.gz PNRCTIXUHFBXPV-UHFFFAOYSA-N 1 0 373.428 3.936 20 5 FHBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cncn2)cc1Cl ZINC000123254233 944313975 /nfs/dbraw/zinc/31/39/75/944313975.db2.gz NPWLTPAOPAXCGB-ZDUSSCGKSA-N 1 0 371.828 3.722 20 5 FHBDRO CSc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000500235789 944315651 /nfs/dbraw/zinc/31/56/51/944315651.db2.gz YLTRGROOQQYWAQ-UGSOOPFHSA-N 1 0 371.462 3.773 20 5 FHBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@H](C)[C@H]2CCOC2)cc1OC ZINC000500247554 944330276 /nfs/dbraw/zinc/33/02/76/944330276.db2.gz YORDWUZITBLRSK-ZNMIVQPWSA-N 1 0 366.458 3.543 20 5 FHBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC4(CCC4)[C@@H]3C3CCOCC3)nc2c1 ZINC000425558227 944338077 /nfs/dbraw/zinc/33/80/77/944338077.db2.gz XJQFGISEOSIIIL-SFHVURJKSA-N 1 0 357.410 3.517 20 5 FHBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543557972 944353791 /nfs/dbraw/zinc/35/37/91/944353791.db2.gz SKOPLTZRWWWSEK-YLJYHZDGSA-N 1 0 374.412 3.965 20 5 FHBDRO Cc1ccccc1C1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000543560677 944358251 /nfs/dbraw/zinc/35/82/51/944358251.db2.gz NSRJRXMVJHPDKF-SFHVURJKSA-N 1 0 370.449 3.523 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000123593930 944386823 /nfs/dbraw/zinc/38/68/23/944386823.db2.gz GPFOGPXXSFILML-OAHLLOKOSA-N 1 0 370.453 3.527 20 5 FHBDRO COc1ccc2ccccc2c1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000517582119 944415812 /nfs/dbraw/zinc/41/58/12/944415812.db2.gz GKDYGQJCBVLHOE-UHFFFAOYSA-N 1 0 352.390 3.925 20 5 FHBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000418346038 944443999 /nfs/dbraw/zinc/44/39/99/944443999.db2.gz HLLBJYKRXIAGPI-SFHVURJKSA-N 1 0 370.453 3.560 20 5 FHBDRO COc1cc(C[N@H+](C)CC2(c3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000438270959 944455622 /nfs/dbraw/zinc/45/56/22/944455622.db2.gz BRQRMLGTUJQKMZ-UHFFFAOYSA-N 1 0 356.422 3.776 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+]CCc2cc(F)cc3c2OCOC3)cc1[N+](=O)[O-] ZINC000120693107 944462046 /nfs/dbraw/zinc/46/20/46/944462046.db2.gz DQBSYHCFQSGJDW-ZDUSSCGKSA-N 1 0 360.385 3.802 20 5 FHBDRO CSc1ccc(C(=O)NCCCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000110437066 944489050 /nfs/dbraw/zinc/48/90/50/944489050.db2.gz JGUVXNWLWDSHNO-UHFFFAOYSA-N 1 0 365.499 3.703 20 5 FHBDRO CC(C)c1ccc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000473588807 944531046 /nfs/dbraw/zinc/53/10/46/944531046.db2.gz IYLXSVQCAVTNEJ-UHFFFAOYSA-N 1 0 373.428 3.849 20 5 FHBDRO CC(C)c1ccc(CN2CCCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000506546657 944536658 /nfs/dbraw/zinc/53/66/58/944536658.db2.gz NGUQGEILPWDTGH-UHFFFAOYSA-N 1 0 359.392 3.788 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000517743884 944571600 /nfs/dbraw/zinc/57/16/00/944571600.db2.gz CTZQWWFUCOPPRZ-UHFFFAOYSA-N 1 0 353.422 3.698 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)c1ccccc1C ZINC000550263279 944598385 /nfs/dbraw/zinc/59/83/85/944598385.db2.gz WKBDNMKJMWUFQE-UHFFFAOYSA-N 1 0 371.437 3.765 20 5 FHBDRO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000311308301 944626046 /nfs/dbraw/zinc/62/60/46/944626046.db2.gz WCOFXRVXILXPPU-GDBMZVCRSA-N 1 0 363.458 3.781 20 5 FHBDRO Cc1nc2ccc(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc2s1 ZINC000426401936 944679010 /nfs/dbraw/zinc/67/90/10/944679010.db2.gz PWWHKHFNKMZXFJ-CQSZACIVSA-N 1 0 369.450 3.594 20 5 FHBDRO CC(=O)c1cc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000383074615 944708053 /nfs/dbraw/zinc/70/80/53/944708053.db2.gz SWTAUCGJJFQWOJ-SFHVURJKSA-N 1 0 367.449 3.756 20 5 FHBDRO C[NH+](C)CC1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000426764631 944763363 /nfs/dbraw/zinc/76/33/63/944763363.db2.gz XUFQINRYRWBYKP-UHFFFAOYSA-N 1 0 361.486 3.546 20 5 FHBDRO CC[NH+](CC)Cc1ccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000015140710 944770532 /nfs/dbraw/zinc/77/05/32/944770532.db2.gz WDXQEQWVAZNYHH-UHFFFAOYSA-N 1 0 358.398 3.957 20 5 FHBDRO O=C(CC[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000584585784 944775474 /nfs/dbraw/zinc/77/54/74/944775474.db2.gz XAWVCZOQZRZPMF-CHWSQXEVSA-N 1 0 373.375 3.882 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000506281865 944788082 /nfs/dbraw/zinc/78/80/82/944788082.db2.gz MVKUROAMVQSBBP-NVXWUHKLSA-N 1 0 368.437 3.860 20 5 FHBDRO CCCNc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000516447965 944871776 /nfs/dbraw/zinc/87/17/76/944871776.db2.gz MIWBEAYYJMTTLF-MSOLQXFVSA-N 1 0 357.458 3.887 20 5 FHBDRO Cc1c(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000487340947 944906797 /nfs/dbraw/zinc/90/67/97/944906797.db2.gz CJXJFPBNBNRDIU-WMZOPIPTSA-N 1 0 367.449 3.544 20 5 FHBDRO COc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc2c1OCO2 ZINC000507152708 945002384 /nfs/dbraw/zinc/00/23/84/945002384.db2.gz YLEWVDFAEOKXAV-UHFFFAOYSA-N 1 0 358.394 3.743 20 5 FHBDRO Cc1ccccc1[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000507179745 945011132 /nfs/dbraw/zinc/01/11/32/945011132.db2.gz HTKCHEOATPUHGB-CVEARBPZSA-N 1 0 353.422 3.720 20 5 FHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000511746344 945016390 /nfs/dbraw/zinc/01/63/90/945016390.db2.gz YUEOPBBKSSYVBE-LJQANCHMSA-N 1 0 367.449 3.625 20 5 FHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000437098885 945018229 /nfs/dbraw/zinc/01/82/29/945018229.db2.gz STNGDOUFGSBJTL-YVEFUNNKSA-N 1 0 373.384 3.564 20 5 FHBDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000519026231 945039883 /nfs/dbraw/zinc/03/98/83/945039883.db2.gz HSUPFQFLBDPUHZ-IBGZPJMESA-N 1 0 371.437 3.649 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@](O)(C4CC4)C3)o2)c(Cl)c1 ZINC000426524972 945054733 /nfs/dbraw/zinc/05/47/33/945054733.db2.gz QKTQILVVMVCFKS-GOSISDBHSA-N 1 0 362.813 3.855 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000511866288 945376591 /nfs/dbraw/zinc/37/65/91/945376591.db2.gz XXLUZDYCNCPKCG-UHFFFAOYSA-N 1 0 359.470 3.631 20 5 FHBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181751137 945647100 /nfs/dbraw/zinc/64/71/00/945647100.db2.gz RNLQGEDKFMWKEN-LIRRHRJNSA-N 1 0 351.410 3.977 20 5 FHBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000181757902 945742452 /nfs/dbraw/zinc/74/24/52/945742452.db2.gz XMCVPPQAJBGQHM-LBPRGKRZSA-N 1 0 369.377 3.639 20 5 FHBDRO O=[N+]([O-])c1ccccc1OCCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000108238161 945894130 /nfs/dbraw/zinc/89/41/30/945894130.db2.gz BRNLXRKQWLPLPD-UHFFFAOYSA-N 1 0 361.486 3.562 20 5 FHBDRO CN(c1ccccc1)c1ccc(CN2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000125450773 946069472 /nfs/dbraw/zinc/06/94/72/946069472.db2.gz GALFQDZTGWUDKH-SFHVURJKSA-N 1 0 368.481 3.746 20 5 FHBDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000444243410 946117975 /nfs/dbraw/zinc/11/79/75/946117975.db2.gz PVRAIWVYEYNBFU-KRWDZBQOSA-N 1 0 355.438 3.795 20 5 FHBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000045758426 946135966 /nfs/dbraw/zinc/13/59/66/946135966.db2.gz DKELEVUGHWZIQQ-UHFFFAOYSA-N 1 0 368.437 3.689 20 5 FHBDRO COCCC1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000151777908 946226342 /nfs/dbraw/zinc/22/63/42/946226342.db2.gz FJNNFJZZAQAMHD-UHFFFAOYSA-N 1 0 372.469 3.682 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+](CCO)[C@@H]3CCCSC3)o2)cc1 ZINC000475494342 946442135 /nfs/dbraw/zinc/44/21/35/946442135.db2.gz QFFSFKRHUCSTCD-MRXNPFEDSA-N 1 0 362.451 3.545 20 5 FHBDRO CCOC(=O)CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000104667219 946442315 /nfs/dbraw/zinc/44/23/15/946442315.db2.gz SLAFACZHBONSAS-UHFFFAOYSA-N 1 0 364.442 3.547 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3C[C@@H](C)N(C4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000237427308 946456730 /nfs/dbraw/zinc/45/67/30/946456730.db2.gz MUEVCUFEIXJUBX-KGLIPLIRSA-N 1 0 371.437 3.578 20 5 FHBDRO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)n1 ZINC000897044437 946517860 /nfs/dbraw/zinc/51/78/60/946517860.db2.gz OLVXGVLSCIBRFE-VXGBXAGGSA-N 1 0 350.806 3.620 20 5 FHBDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000441373792 946524779 /nfs/dbraw/zinc/52/47/79/946524779.db2.gz FKQDDZMRJSKOEA-ICSRJNTNSA-N 1 0 372.465 3.596 20 5 FHBDRO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000897040120 946530876 /nfs/dbraw/zinc/53/08/76/946530876.db2.gz FSSKAPQKDXRTAH-MFKMUULPSA-N 1 0 350.806 3.620 20 5 FHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])Cc1ccccc1 ZINC000023196767 946553932 /nfs/dbraw/zinc/55/39/32/946553932.db2.gz UQVMJDJQWMSJHR-GOSISDBHSA-N 1 0 369.465 3.586 20 5 FHBDRO COc1cc(C[NH2+][C@H]2CCCc3ccc(F)cc32)c([N+](=O)[O-])cc1OC ZINC000475515657 946558827 /nfs/dbraw/zinc/55/88/27/946558827.db2.gz FDMHMILYAWNXAW-INIZCTEOSA-N 1 0 360.385 3.918 20 5 FHBDRO CC(C)c1ccc(C[NH2+][C@@H](C)C(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000475516125 946569999 /nfs/dbraw/zinc/56/99/99/946569999.db2.gz JEWWQICPJVUHNW-HNNXBMFYSA-N 1 0 367.449 3.739 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000475551976 946621997 /nfs/dbraw/zinc/62/19/97/946621997.db2.gz VXKBXUYXGIQFCL-MRXNPFEDSA-N 1 0 362.474 3.988 20 5 FHBDRO CCS[C@H]1CCCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000112088937 946659389 /nfs/dbraw/zinc/65/93/89/946659389.db2.gz UBNDPAJCNWGPFM-HNNXBMFYSA-N 1 0 365.499 3.839 20 5 FHBDRO C[N@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CCCC1 ZINC000475225694 946735085 /nfs/dbraw/zinc/73/50/85/946735085.db2.gz UMDLNRIQPZXOJT-UHFFFAOYSA-N 1 0 374.363 3.610 20 5 FHBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000909600530 946741970 /nfs/dbraw/zinc/74/19/70/946741970.db2.gz GJDWVAUXMAJUFT-UHFFFAOYSA-N 1 0 363.364 3.695 20 5 FHBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000909601559 946758604 /nfs/dbraw/zinc/75/86/04/946758604.db2.gz JHPFXJIJPIESFO-UHFFFAOYSA-N 1 0 355.438 3.881 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3(c4ccccc4)CC3)CC2)cc1 ZINC000127258953 946772105 /nfs/dbraw/zinc/77/21/05/946772105.db2.gz QAECZHSKFZIWHI-UHFFFAOYSA-N 1 0 351.450 3.885 20 5 FHBDRO Cc1cccc(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000475279842 946816161 /nfs/dbraw/zinc/81/61/61/946816161.db2.gz OOTMBHHROXTOQG-UHFFFAOYSA-N 1 0 354.435 3.754 20 5 FHBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000186329442 946925680 /nfs/dbraw/zinc/92/56/80/946925680.db2.gz LHEFUTJYIFGTPL-QZTJIDSGSA-N 1 0 373.453 3.976 20 5 FHBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C[NH+](C)C)cc1C ZINC000909606027 947019358 /nfs/dbraw/zinc/01/93/58/947019358.db2.gz SHTAVCSIOFWUSM-UHFFFAOYSA-N 1 0 357.410 3.616 20 5 FHBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](C)Cc1ccc(OC)cc1 ZINC000444613303 947040100 /nfs/dbraw/zinc/04/01/00/947040100.db2.gz WDTOXCYNDNVCSJ-CQSZACIVSA-N 1 0 368.437 3.933 20 5 FHBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](COC)Cc1ccccc1 ZINC000444649660 947069997 /nfs/dbraw/zinc/06/99/97/947069997.db2.gz QUVODPJPCBPFDS-QGZVFWFLSA-N 1 0 368.437 3.551 20 5 FHBDRO COc1cccc(N2CCC[N@H+](Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000613869766 947138234 /nfs/dbraw/zinc/13/82/34/947138234.db2.gz NIHORYAQLBKDTC-UHFFFAOYSA-N 1 0 355.438 3.624 20 5 FHBDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])CC(C)C ZINC000188188159 947179386 /nfs/dbraw/zinc/17/93/86/947179386.db2.gz RDIKTUVNIYQMBV-AWEZNQCLSA-N 1 0 367.515 3.803 20 5 FHBDRO Cc1ccc(C)c([C@@H](C)[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000523438731 947269008 /nfs/dbraw/zinc/26/90/08/947269008.db2.gz NOURIPQRZBVXRG-SJLPKXTDSA-N 1 0 358.438 3.644 20 5 FHBDRO O=C(NC1CC1)[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000151825198 947302835 /nfs/dbraw/zinc/30/28/35/947302835.db2.gz GHFDKORBDLNYOX-HXUWFJFHSA-N 1 0 367.449 3.527 20 5 FHBDRO CC1(C)CCc2ccccc2[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000440613654 947358604 /nfs/dbraw/zinc/35/86/04/947358604.db2.gz NBTBMIDKMIVZNS-GOSISDBHSA-N 1 0 367.449 3.887 20 5 FHBDRO CSc1ccccc1[C@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000440621567 947374780 /nfs/dbraw/zinc/37/47/80/947374780.db2.gz HWBWDTNTHHNZID-ZDUSSCGKSA-N 1 0 371.462 3.557 20 5 FHBDRO CSc1ccccc1[C@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000440630391 947430652 /nfs/dbraw/zinc/43/06/52/947430652.db2.gz XJBZAIVKUCESTJ-ZDUSSCGKSA-N 1 0 371.462 3.557 20 5 FHBDRO COc1ccc(OC)c(C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000523702145 947527871 /nfs/dbraw/zinc/52/78/71/947527871.db2.gz YYBCIHVGLIUGAL-UHFFFAOYSA-N 1 0 356.422 3.819 20 5 FHBDRO CCS[C@H]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000072837536 947569193 /nfs/dbraw/zinc/56/91/93/947569193.db2.gz ATLOIUSFRUUKAD-ZBFHGGJFSA-N 1 0 365.499 3.838 20 5 FHBDRO CC1CCC([NH+]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)CC1 ZINC000523752214 947587075 /nfs/dbraw/zinc/58/70/75/947587075.db2.gz NHPIWDFKLKYWPB-UHFFFAOYSA-N 1 0 354.454 3.844 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)c(NC2CC[NH+]([C@H]3CCOC3)CC2)c(Cl)c1 ZINC000613884741 947696790 /nfs/dbraw/zinc/69/67/90/947696790.db2.gz YZQWWZWQHXCMHT-NSHDSACASA-N 1 0 360.241 3.567 20 5 FHBDRO C[C@H]([NH3+])[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000925761581 947698050 /nfs/dbraw/zinc/69/80/50/947698050.db2.gz CNXPRPBTPAVMAJ-ZBEGNZNMSA-N 1 0 364.243 3.535 20 5 FHBDRO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000129530723 947788598 /nfs/dbraw/zinc/78/85/98/947788598.db2.gz VCLIACOIZKTPEH-QGZVFWFLSA-N 1 0 371.481 3.740 20 5 FHBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000536378784 947849783 /nfs/dbraw/zinc/84/97/83/947849783.db2.gz PWVLHXKBZRTYHD-UHFFFAOYSA-N 1 0 373.428 3.731 20 5 FHBDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000236791085 947886961 /nfs/dbraw/zinc/88/69/61/947886961.db2.gz DUZGXFJMAZQSHF-RDJZCZTQSA-N 1 0 363.458 3.768 20 5 FHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000180220521 948071494 /nfs/dbraw/zinc/07/14/94/948071494.db2.gz CSYSNZMEOHVXBX-ZIAGYGMSSA-N 1 0 365.499 3.650 20 5 FHBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000184666415 948119375 /nfs/dbraw/zinc/11/93/75/948119375.db2.gz SMYIOLHPHPIAAX-CORIIIEPSA-N 1 0 354.834 3.706 20 5 FHBDRO C[C@H](c1noc(-c2ccccc2)n1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000585753968 948264585 /nfs/dbraw/zinc/26/45/85/948264585.db2.gz XBTMWWFTYPUMIA-CQSZACIVSA-N 1 0 352.394 3.880 20 5 FHBDRO Cc1c(NC(=O)CC[NH+]2CCC(CC(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000585755705 948268579 /nfs/dbraw/zinc/26/85/79/948268579.db2.gz AEYVMTCONHFWBJ-UHFFFAOYSA-N 1 0 373.375 3.896 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)C1CC1 ZINC000585765549 948277237 /nfs/dbraw/zinc/27/72/37/948277237.db2.gz PRXDXUVHVDDUBQ-GOSISDBHSA-N 1 0 350.422 3.625 20 5 FHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000184732589 948301379 /nfs/dbraw/zinc/30/13/79/948301379.db2.gz CDHMSSABJCVYRJ-AZUAARDMSA-N 1 0 373.497 3.640 20 5 FHBDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000574735027 948420287 /nfs/dbraw/zinc/42/02/87/948420287.db2.gz LCQDRPPFQANUEC-MWLKLMTCSA-N 1 0 372.469 3.623 20 5 FHBDRO CCOC[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000072977033 948516217 /nfs/dbraw/zinc/51/62/17/948516217.db2.gz QZBIEHHMFDPPGV-OAHLLOKOSA-N 1 0 359.426 3.541 20 5 FHBDRO C[NH+](C)Cc1cc(-c2noc(CCc3cccc([N+](=O)[O-])c3)n2)ccc1F ZINC000574802420 948521137 /nfs/dbraw/zinc/52/11/37/948521137.db2.gz DKBZJIAKHCYJLG-UHFFFAOYSA-N 1 0 370.384 3.631 20 5 FHBDRO CC1(C)C[C@@H]([NH2+]Cc2cccc(-n3cncn3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000279134990 948541086 /nfs/dbraw/zinc/54/10/86/948541086.db2.gz RHNMERIVDGBGDQ-LJQANCHMSA-N 1 0 363.421 3.688 20 5 FHBDRO C[C@@H]1CC[C@H](c2ccccc2)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000512165034 948602773 /nfs/dbraw/zinc/60/27/73/948602773.db2.gz KQDDACKIDOVSHM-RDTXWAMCSA-N 1 0 353.422 3.667 20 5 FHBDRO O=C1OCCC12CC[NH+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)CC2 ZINC000359877558 210193986 /nfs/dbraw/zinc/19/39/86/210193986.db2.gz QCPLKNYMQYDQJU-UHFFFAOYSA-N 1 0 372.446 3.852 20 5 FHBDRO Cc1c(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000109380186 210164795 /nfs/dbraw/zinc/16/47/95/210164795.db2.gz JURXUWGDOUOUNH-UHFFFAOYSA-N 1 0 360.458 3.679 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541787704 567821772 /nfs/dbraw/zinc/82/17/72/567821772.db2.gz WBTKBQLMGXULSJ-CYBMUJFWSA-N 1 0 352.410 3.510 20 5 FHBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000568077422 567850426 /nfs/dbraw/zinc/85/04/26/567850426.db2.gz RZDNFBBLWOAMHV-INIZCTEOSA-N 1 0 368.437 3.600 20 5 FHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481607648 568065333 /nfs/dbraw/zinc/06/53/33/568065333.db2.gz CWGAGAFMWZCMSY-HNNXBMFYSA-N 1 0 358.413 3.865 20 5 FHBDRO COCCOCc1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000291164776 568066522 /nfs/dbraw/zinc/06/65/22/568066522.db2.gz JJSCSQVTVKAMSJ-OAQYLSRUSA-N 1 0 370.449 3.925 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC(F)(F)[C@H](CO)C3)s2)cc1 ZINC000291189898 568074191 /nfs/dbraw/zinc/07/41/91/568074191.db2.gz GMRYQEVZVJROOQ-ZDUSSCGKSA-N 1 0 368.405 3.773 20 5 FHBDRO Cc1cnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000481995500 568221676 /nfs/dbraw/zinc/22/16/76/568221676.db2.gz YKIWXKAQSRLQMO-OALUTQOASA-N 1 0 366.465 3.789 20 5 FHBDRO Cc1cnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000481995502 568221713 /nfs/dbraw/zinc/22/17/13/568221713.db2.gz YKIWXKAQSRLQMO-RBUKOAKNSA-N 1 0 366.465 3.789 20 5 FHBDRO CCC[C@H]([NH2+][C@H](CC(=O)NC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000482079208 568254910 /nfs/dbraw/zinc/25/49/10/568254910.db2.gz UEEXVJFAIPPAFW-RBUKOAKNSA-N 1 0 355.438 3.903 20 5 FHBDRO COCCOCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000568970995 568258658 /nfs/dbraw/zinc/25/86/58/568258658.db2.gz QVSNHYGBPSKKPW-UHFFFAOYSA-N 1 0 368.817 3.603 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(OCCC[NH+](C)C)cc2)n1 ZINC000541934962 568259905 /nfs/dbraw/zinc/25/99/05/568259905.db2.gz BILSOBLUCZBCSZ-UHFFFAOYSA-N 1 0 358.442 3.549 20 5 FHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000453031515 568264985 /nfs/dbraw/zinc/26/49/85/568264985.db2.gz YWAUTTYYEWLCQW-XLIONFOSSA-N 1 0 368.433 3.562 20 5 FHBDRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000569255683 568321018 /nfs/dbraw/zinc/32/10/18/568321018.db2.gz CSIPUMKSOWQWMD-IAQYHMDHSA-N 1 0 374.466 3.824 20 5 FHBDRO COC(=O)CC[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000570106462 568451320 /nfs/dbraw/zinc/45/13/20/568451320.db2.gz JGSLCAPHXVCIPI-MSOLQXFVSA-N 1 0 354.406 3.866 20 5 FHBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000609489680 568510080 /nfs/dbraw/zinc/51/00/80/568510080.db2.gz YSWOAHFTHYDIKB-CQSZACIVSA-N 1 0 372.469 3.707 20 5 FHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(Oc2cnccn2)cc1 ZINC000570760559 568519895 /nfs/dbraw/zinc/51/98/95/568519895.db2.gz KRJSHGMFCQYTHW-UHFFFAOYSA-N 1 0 364.405 3.852 20 5 FHBDRO COC[C@@]1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)OCCc2ccccc21 ZINC000570889117 568611575 /nfs/dbraw/zinc/61/15/75/568611575.db2.gz JROOOTLGDWQAAN-IIBYNOLFSA-N 1 0 370.449 3.668 20 5 FHBDRO CCC[C@@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000821020707 607014286 /nfs/dbraw/zinc/01/42/86/607014286.db2.gz GUAOPJGPFNGVFG-FZKQIMNGSA-N 1 0 366.425 3.967 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164626994 719054242 /nfs/dbraw/zinc/05/42/42/719054242.db2.gz SZWHGGICOOKZAJ-RDJZCZTQSA-N 1 0 372.856 3.744 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164621416 719056239 /nfs/dbraw/zinc/05/62/39/719056239.db2.gz JCYADDNBEWNBEU-YJBOKZPZSA-N 1 0 372.856 3.744 20 5 FHBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[NH+](C2CCCC2)CC1 ZINC001165033383 721861961 /nfs/dbraw/zinc/86/19/61/721861961.db2.gz LPXHCYCSMMOAMJ-UHFFFAOYSA-N 1 0 360.845 3.861 20 5 FHBDRO O=[N+]([O-])c1cnc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c2ccccc21 ZINC001165046113 721968972 /nfs/dbraw/zinc/96/89/72/721968972.db2.gz BKRYQGUPDJHTHY-MRXNPFEDSA-N 1 0 354.454 3.988 20 5 FHBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277989561 936320738 /nfs/dbraw/zinc/32/07/38/936320738.db2.gz WPWDLSZLZMOYNZ-OAHLLOKOSA-N 1 0 363.461 3.698 20 5 FHBDRO C/C(=C/c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1)c1ccc([N+](=O)[O-])cc1 ZINC000612955413 936345413 /nfs/dbraw/zinc/34/54/13/936345413.db2.gz YTJVMNPDXXRPRD-RQIDDLAKSA-N 1 0 354.410 3.879 20 5 FHBDRO CC1CC[NH+](C2CCC(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000161498468 936381462 /nfs/dbraw/zinc/38/14/62/936381462.db2.gz PDSKQQMORFUIBT-NYYWCZLTSA-N 1 0 371.481 3.767 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000120069009 927038191 /nfs/dbraw/zinc/03/81/91/927038191.db2.gz YSMWHVHMCUHYBZ-CQSZACIVSA-N 1 0 362.474 3.845 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000120088030 927136641 /nfs/dbraw/zinc/13/66/41/927136641.db2.gz HSZPPBWYOSYNKI-UHFFFAOYSA-N 1 0 374.416 3.734 20 5 FHBDRO CC1(C)[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]2CCO[C@@H]21 ZINC000153934785 927566937 /nfs/dbraw/zinc/56/69/37/927566937.db2.gz YGSSLFSMOZCVIE-XHSDSOJGSA-N 1 0 359.451 3.621 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(c2ccsc2)CC1 ZINC000186957167 927622541 /nfs/dbraw/zinc/62/25/41/927622541.db2.gz KDQHDJXIVLVKTA-UHFFFAOYSA-N 1 0 359.451 3.783 20 5 FHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000186997039 927822897 /nfs/dbraw/zinc/82/28/97/927822897.db2.gz YYUHAOXKTVHDOG-UHFFFAOYSA-N 1 0 365.499 3.652 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000430200120 927939402 /nfs/dbraw/zinc/93/94/02/927939402.db2.gz FQUXJAOUOWZFTJ-HXUWFJFHSA-N 1 0 354.406 3.625 20 5 FHBDRO Cc1cc(Cl)nc(N2CC3(CC[NH2+]CC3)c3ccccc32)c1[N+](=O)[O-] ZINC001167068545 928146466 /nfs/dbraw/zinc/14/64/66/928146466.db2.gz AGCCWDBRIDUIOP-UHFFFAOYSA-N 1 0 358.829 3.725 20 5 FHBDRO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)nc1 ZINC000471156276 928146493 /nfs/dbraw/zinc/14/64/93/928146493.db2.gz JUCISHOOFRCQDG-HOTGVXAUSA-N 1 0 368.437 3.710 20 5 FHBDRO COc1cccc([C@H]2[C@@H](Nc3ccc([N+](=O)[O-])cc3)CC[N@@H+]2C2CC2)c1 ZINC000302009544 928204594 /nfs/dbraw/zinc/20/45/94/928204594.db2.gz AETPSVDJTKVHRK-PMACEKPBSA-N 1 0 353.422 3.993 20 5 FHBDRO C[C@@H]1C[C@H](CCNC(=O)c2ccc([N+](=O)[O-])s2)C[N@@H+]1Cc1ccccc1 ZINC000510097871 928231962 /nfs/dbraw/zinc/23/19/62/928231962.db2.gz IQDNTKPJRIILMN-ZBFHGGJFSA-N 1 0 373.478 3.687 20 5 FHBDRO Cn1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(-c2ccncc2)n1 ZINC000154270079 928660969 /nfs/dbraw/zinc/66/09/69/928660969.db2.gz IWAKKQUVRUQGFB-UHFFFAOYSA-N 1 0 363.421 3.555 20 5 FHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCCSCc3ccccc3)C2)nc1 ZINC000535624037 929216153 /nfs/dbraw/zinc/21/61/53/929216153.db2.gz IOYLWMQUHGKRQQ-QGZVFWFLSA-N 1 0 372.494 3.800 20 5 FHBDRO C[N@H+](CCc1cccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)c1)C1CC1 ZINC000091629777 937313697 /nfs/dbraw/zinc/31/36/97/937313697.db2.gz GLMDHEJBBCVDCT-UHFFFAOYSA-N 1 0 354.410 3.876 20 5 FHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430294687 929355040 /nfs/dbraw/zinc/35/50/40/929355040.db2.gz BLFKUKXVPKGCQL-HZPDHXFCSA-N 1 0 353.422 3.641 20 5 FHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430296407 929399314 /nfs/dbraw/zinc/39/93/14/929399314.db2.gz JBTIHIORUVJLNY-WBVHZDCISA-N 1 0 353.422 3.641 20 5 FHBDRO COc1cc(C[N@@H+]2CCC3(CCC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180163972 929410810 /nfs/dbraw/zinc/41/08/10/929410810.db2.gz DDXLZFFPOIYPNI-UHFFFAOYSA-N 1 0 356.369 3.623 20 5 FHBDRO Cc1[nH+]ccc(NCc2ccc(Cl)c([N+](=O)[O-])c2)c1Br ZINC000799761964 929639814 /nfs/dbraw/zinc/63/98/14/929639814.db2.gz ILDOYTZJGKVRIA-UHFFFAOYSA-N 1 0 356.607 3.748 20 5 FHBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000023677905 929693119 /nfs/dbraw/zinc/69/31/19/929693119.db2.gz LGHXCVDRPYCYGQ-SJLPKXTDSA-N 1 0 364.829 3.729 20 5 FHBDRO Cc1ccc2nc(C[NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)cn2c1 ZINC000560366032 929774026 /nfs/dbraw/zinc/77/40/26/929774026.db2.gz SKJLOXVPHDTRQF-SFHVURJKSA-N 1 0 350.422 3.662 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000580017289 929894963 /nfs/dbraw/zinc/89/49/63/929894963.db2.gz YHWKLMJVUPRSDZ-DNVCBOLYSA-N 1 0 372.469 3.638 20 5 FHBDRO COc1ccc(CN2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000610372013 930178630 /nfs/dbraw/zinc/17/86/30/930178630.db2.gz GUUIAUKFAPJHKA-KRWDZBQOSA-N 1 0 369.465 3.700 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463034472 930184138 /nfs/dbraw/zinc/18/41/38/930184138.db2.gz OQILJGPZHBYCAQ-KXAJWGBNSA-N 1 0 366.461 3.925 20 5 FHBDRO C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])Sc1ccccc1 ZINC000580184505 930342204 /nfs/dbraw/zinc/34/22/04/930342204.db2.gz FHPYWNRGASDGRT-AWEZNQCLSA-N 1 0 359.451 3.694 20 5 FHBDRO C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])Sc1ccccc1 ZINC000580184506 930342297 /nfs/dbraw/zinc/34/22/97/930342297.db2.gz FHPYWNRGASDGRT-CQSZACIVSA-N 1 0 359.451 3.694 20 5 FHBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC001167367138 930354457 /nfs/dbraw/zinc/35/44/57/930354457.db2.gz BSGUWVCTCXTQIT-HRAATJIYSA-N 1 0 367.449 3.976 20 5 FHBDRO Cc1nn(C)c(NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000052331319 937416890 /nfs/dbraw/zinc/41/68/90/937416890.db2.gz BPMXXRYZVCCLFJ-HUUCEWRRSA-N 1 0 371.485 3.727 20 5 FHBDRO CC[C@H]([NH2+]C[C@H](c1ccc(C)o1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000118959823 930459673 /nfs/dbraw/zinc/45/96/73/930459673.db2.gz PZTXNWATVNSGGQ-RBUKOAKNSA-N 1 0 373.453 3.610 20 5 FHBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000379648147 930497801 /nfs/dbraw/zinc/49/78/01/930497801.db2.gz MANCJVKVUROFJJ-YLJYHZDGSA-N 1 0 353.466 3.780 20 5 FHBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000247252021 930513922 /nfs/dbraw/zinc/51/39/22/930513922.db2.gz DXZTXOWXLBZFBB-GUYCJALGSA-N 1 0 374.466 3.861 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038859615 930748851 /nfs/dbraw/zinc/74/88/51/930748851.db2.gz AGJFDVYLHOKHMU-QGZVFWFLSA-N 1 0 353.422 3.754 20 5 FHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000135058007 930750680 /nfs/dbraw/zinc/75/06/80/930750680.db2.gz WHNYDIMSWDKKCL-HOCLYGCPSA-N 1 0 373.478 3.639 20 5 FHBDRO Cc1c(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000610445998 930790014 /nfs/dbraw/zinc/79/00/14/930790014.db2.gz NJCPGUBJACJDCO-INIZCTEOSA-N 1 0 367.449 3.640 20 5 FHBDRO C[N@H+](CCc1cccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1)C1CC1 ZINC000537126755 930820435 /nfs/dbraw/zinc/82/04/35/930820435.db2.gz IJWWCSIQFVTCAD-UHFFFAOYSA-N 1 0 367.449 3.803 20 5 FHBDRO O=C(CC[C@H]1CC[NH2+]C1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000261848233 930846453 /nfs/dbraw/zinc/84/64/53/930846453.db2.gz MGSYAHVQDUFTJZ-AWEZNQCLSA-N 1 0 355.394 3.715 20 5 FHBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000177837332 931266671 /nfs/dbraw/zinc/26/66/71/931266671.db2.gz JTFKNMDEOHLRBD-WBVHZDCISA-N 1 0 359.470 3.735 20 5 FHBDRO CCc1ccc(CN(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000023815636 931420321 /nfs/dbraw/zinc/42/03/21/931420321.db2.gz WVHGEUQEVQXYKT-UHFFFAOYSA-N 1 0 352.394 3.839 20 5 FHBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000156818779 931560141 /nfs/dbraw/zinc/56/01/41/931560141.db2.gz RIZIQIJXEDPUJW-UHFFFAOYSA-N 1 0 357.385 3.890 20 5 FHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]([C@H]3CCCc4ccc(F)cc43)C2)nc1 ZINC000510383286 931811739 /nfs/dbraw/zinc/81/17/39/931811739.db2.gz ZYVBGQMUKDZMQA-QAPCUYQASA-N 1 0 356.401 3.693 20 5 FHBDRO Cc1ccc(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1[N+](=O)[O-] ZINC000127175756 931863765 /nfs/dbraw/zinc/86/37/65/931863765.db2.gz NPPXZNRZTPZVRO-OAHLLOKOSA-N 1 0 351.410 3.677 20 5 FHBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F)OCCO2 ZINC000610511588 932295251 /nfs/dbraw/zinc/29/52/51/932295251.db2.gz KZSXGWQBHGBAKD-WCQYABFASA-N 1 0 374.359 3.824 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccc(CC)cc2)cc1[N+](=O)[O-] ZINC000090844077 932357899 /nfs/dbraw/zinc/35/78/99/932357899.db2.gz CFBZYBVDHUPVJX-KDOFPFPSSA-N 1 0 358.438 3.940 20 5 FHBDRO CCCC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000126747506 932490758 /nfs/dbraw/zinc/49/07/58/932490758.db2.gz KUXVEEQGRHEUST-UHFFFAOYSA-N 1 0 354.838 3.634 20 5 FHBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000489544107 932522154 /nfs/dbraw/zinc/52/21/54/932522154.db2.gz BQEQZPPXIDCQDQ-WBVHZDCISA-N 1 0 362.474 3.528 20 5 FHBDRO CC[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000610530868 932536834 /nfs/dbraw/zinc/53/68/34/932536834.db2.gz TUOLLPBHLFALFV-RTBURBONSA-N 1 0 374.485 3.706 20 5 FHBDRO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000093102344 932609301 /nfs/dbraw/zinc/60/93/01/932609301.db2.gz BGPGIJVDSTWIRI-CQSZACIVSA-N 1 0 374.437 3.684 20 5 FHBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC3(C2)CCCCC3)c([N+](=O)[O-])c1 ZINC000581758716 932617338 /nfs/dbraw/zinc/61/73/38/932617338.db2.gz ZCXIQWCDMIQGAI-UHFFFAOYSA-N 1 0 361.442 3.588 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000561590396 932759614 /nfs/dbraw/zinc/75/96/14/932759614.db2.gz JKZBQUNDEHSGGP-YJBOKZPZSA-N 1 0 368.437 3.688 20 5 FHBDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178206037 932879061 /nfs/dbraw/zinc/87/90/61/932879061.db2.gz ZUIRXZOFYRYCPO-ZDUSSCGKSA-N 1 0 353.378 3.939 20 5 FHBDRO C[C@H]([NH3+])c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 ZINC000178233932 932950334 /nfs/dbraw/zinc/95/03/34/932950334.db2.gz OKCBPJRCMKCNJI-AWEZNQCLSA-N 1 0 368.437 3.857 20 5 FHBDRO CC(C)([NH2+]Cc1ccc(C(=O)NC2CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000610575122 933157947 /nfs/dbraw/zinc/15/79/47/933157947.db2.gz DXZLJNIHZUXXAK-UHFFFAOYSA-N 1 0 353.422 3.512 20 5 FHBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000588447230 933174784 /nfs/dbraw/zinc/17/47/84/933174784.db2.gz WNNWBJQSXCLXKA-HJPMFFMGSA-N 1 0 365.433 3.560 20 5 FHBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000510547050 933210999 /nfs/dbraw/zinc/21/09/99/933210999.db2.gz JXGWNTNMKODNTC-KXBFYZLASA-N 1 0 355.438 3.633 20 5 FHBDRO COc1ccc([C@@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C(C)C)cc1 ZINC000510779892 933718979 /nfs/dbraw/zinc/71/89/79/933718979.db2.gz PXZFRLSJYYWMQF-IBGZPJMESA-N 1 0 371.437 3.837 20 5 FHBDRO C[C@@H]([NH2+][C@H]1CC2CCC1CC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000431078130 933805957 /nfs/dbraw/zinc/80/59/57/933805957.db2.gz RSCSLYDLRLODGR-JFVOVXHCSA-N 1 0 351.834 3.744 20 5 FHBDRO C[N@H+](CCOc1cccc(Cl)c1)CCOc1ccccc1[N+](=O)[O-] ZINC000501436868 933844935 /nfs/dbraw/zinc/84/49/35/933844935.db2.gz OTXHJSUGDZZGHD-UHFFFAOYSA-N 1 0 350.802 3.638 20 5 FHBDRO Cc1ccc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000092480385 934068689 /nfs/dbraw/zinc/06/86/89/934068689.db2.gz YOYKWGWGZDQNAN-UHFFFAOYSA-N 1 0 368.437 3.689 20 5 FHBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000520952009 934078214 /nfs/dbraw/zinc/07/82/14/934078214.db2.gz BKLSUIRFVMXGIR-OAHLLOKOSA-N 1 0 364.405 3.600 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@@H]4COCC[C@@H]43)cs2)c1 ZINC000535800471 934395013 /nfs/dbraw/zinc/39/50/13/934395013.db2.gz BNIDSJCXZLGQNH-PBHICJAKSA-N 1 0 359.451 3.719 20 5 FHBDRO Cc1cc(F)cc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000176204315 934611996 /nfs/dbraw/zinc/61/19/96/934611996.db2.gz HWMCXMBXGNECMX-UHFFFAOYSA-N 1 0 371.412 3.933 20 5 FHBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000236776606 934774844 /nfs/dbraw/zinc/77/48/44/934774844.db2.gz QWCJIWIUZZIICN-MRXNPFEDSA-N 1 0 361.829 3.801 20 5 FHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000538194183 934807841 /nfs/dbraw/zinc/80/78/41/934807841.db2.gz KNIUNBVOQPLQJM-VXGBXAGGSA-N 1 0 363.364 3.941 20 5 FHBDRO Cc1ccccc1[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000538389859 934836938 /nfs/dbraw/zinc/83/69/38/934836938.db2.gz JRTHTZLQNQNWFQ-LIRRHRJNSA-N 1 0 353.422 3.971 20 5 FHBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000084381490 934847683 /nfs/dbraw/zinc/84/76/83/934847683.db2.gz POQVYLAILWJRJR-UHFFFAOYSA-N 1 0 367.858 3.514 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCOc3ccc(F)cc3)CC2)cc1 ZINC000121707027 934876395 /nfs/dbraw/zinc/87/63/95/934876395.db2.gz PCARCPZNEADYIN-UHFFFAOYSA-N 1 0 373.428 3.761 20 5 FHBDRO CSc1cccc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000548600013 934970871 /nfs/dbraw/zinc/97/08/71/934970871.db2.gz BLNPBOVBRJLGRT-UHFFFAOYSA-N 1 0 365.499 3.509 20 5 FHBDRO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000119669712 934999659 /nfs/dbraw/zinc/99/96/59/934999659.db2.gz IYHQGUFBTLYGBY-JKSUJKDBSA-N 1 0 355.438 3.841 20 5 FHBDRO CC[C@H]([NH2+]CCOc1cc(OC)cc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000539065697 935008998 /nfs/dbraw/zinc/00/89/98/935008998.db2.gz UNEQQBQLMMHHNT-IBGZPJMESA-N 1 0 360.410 3.732 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H](CO)c1cccc(F)c1 ZINC000539088135 935015536 /nfs/dbraw/zinc/01/55/36/935015536.db2.gz OCODHXBOMCJFRF-ZOCIIQOWSA-N 1 0 358.413 3.768 20 5 FHBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[N@@H+]1CCCC[C@@H]1C ZINC000437151492 945071040 /nfs/dbraw/zinc/07/10/40/945071040.db2.gz GOXASQLLTOWSQT-RYUDHWBXSA-N 1 0 373.375 3.606 20 5 FHBDRO CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000166063425 935092912 /nfs/dbraw/zinc/09/29/12/935092912.db2.gz KCPBAWFQPNCVIV-HNNXBMFYSA-N 1 0 361.486 3.981 20 5 FHBDRO CC1CC[NH+]([C@H](CNC(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000072006494 935201252 /nfs/dbraw/zinc/20/12/52/935201252.db2.gz GEDRUDGFRFMWQJ-HXUWFJFHSA-N 1 0 367.449 3.798 20 5 FHBDRO C[N@H+](CCC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000548719438 935473012 /nfs/dbraw/zinc/47/30/12/935473012.db2.gz FGLMOJWULMPSAZ-UHFFFAOYSA-N 1 0 361.486 3.688 20 5 FHBDRO O=[N+]([O-])c1cc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1Oc1ccc(F)cc1 ZINC000427122943 945109778 /nfs/dbraw/zinc/10/97/78/945109778.db2.gz UUQXOUJQXHSDOJ-MAUKXSAKSA-N 1 0 371.412 3.710 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000582388739 935612511 /nfs/dbraw/zinc/61/25/11/935612511.db2.gz AEXBZUYUZHECIE-KRWDZBQOSA-N 1 0 357.841 3.885 20 5 FHBDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)CC1 ZINC000375704553 935677901 /nfs/dbraw/zinc/67/79/01/935677901.db2.gz MLPVPXRHBRUCNE-UHFFFAOYSA-N 1 0 372.400 3.601 20 5 FHBDRO COc1ccc(C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)cc1[N+](=O)[O-] ZINC000158287897 935683914 /nfs/dbraw/zinc/68/39/14/935683914.db2.gz KHCSAOVCLAIMCA-UHFFFAOYSA-N 1 0 369.421 3.827 20 5 FHBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)c2C1 ZINC000158337683 935736891 /nfs/dbraw/zinc/73/68/91/935736891.db2.gz ISXBHPGLOWPFLO-UHFFFAOYSA-N 1 0 372.400 3.540 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCOc1cccc(Br)c1 ZINC000050015676 935745285 /nfs/dbraw/zinc/74/52/85/935745285.db2.gz GDJFXFJJJWCHMA-UHFFFAOYSA-N 1 0 351.200 3.526 20 5 FHBDRO C[C@@H]([NH2+]CCCCn1cc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000479462220 935839555 /nfs/dbraw/zinc/83/95/55/935839555.db2.gz FSYNNLKNLDQOGF-GFCCVEGCSA-N 1 0 367.247 3.685 20 5 FHBDRO CC[C@@H]([NH2+]C[C@H](c1cccc(OC)c1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000479871180 935909544 /nfs/dbraw/zinc/90/95/44/935909544.db2.gz GCJWWQROPMPKKW-WOJBJXKFSA-N 1 0 357.454 3.947 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(Cn3ccnc3)c2)cc1[N+](=O)[O-] ZINC000151327965 945135591 /nfs/dbraw/zinc/13/55/91/945135591.db2.gz IBTPWUHKVXQFHV-INIZCTEOSA-N 1 0 350.422 3.999 20 5 FHBDRO Cc1c([C@@H](C)[NH2+]CC2(N3CCOCC3)CCCCC2)cccc1[N+](=O)[O-] ZINC000480089179 935961277 /nfs/dbraw/zinc/96/12/77/935961277.db2.gz SWXLRZKQGBJVEE-QGZVFWFLSA-N 1 0 361.486 3.589 20 5 FHBDRO C[C@H]([NH2+]C(C)(C)CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000611711026 935988358 /nfs/dbraw/zinc/98/83/58/935988358.db2.gz QZQUAMPNCSKXJI-AWEZNQCLSA-N 1 0 365.437 3.501 20 5 FHBDRO CC(C)c1ccc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)cc1[N+](=O)[O-] ZINC000075756532 936018981 /nfs/dbraw/zinc/01/89/81/936018981.db2.gz CQHRIPLZCCXDQZ-UHFFFAOYSA-N 1 0 365.437 3.648 20 5 FHBDRO C[NH+](C)CCc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000076159237 936023634 /nfs/dbraw/zinc/02/36/34/936023634.db2.gz SSRKRWGFTWUETN-UHFFFAOYSA-N 1 0 368.437 3.526 20 5 FHBDRO O=[N+]([O-])c1ccc2ncnc(N3CCC(CCC[NH+]4CCCC4)CC3)c2c1 ZINC000611713152 936031804 /nfs/dbraw/zinc/03/18/04/936031804.db2.gz YIJXLWUPAMBQBB-UHFFFAOYSA-N 1 0 369.469 3.630 20 5 FHBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000472255095 936077201 /nfs/dbraw/zinc/07/72/01/936077201.db2.gz HJUSHMOEPHDDOT-GFCCVEGCSA-N 1 0 356.348 3.893 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000178683907 936205151 /nfs/dbraw/zinc/20/51/51/936205151.db2.gz TUWNSXGSCHWOPO-KKUMJFAQSA-N 1 0 373.428 3.959 20 5 FHBDRO Cc1nc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)sc1C ZINC000178690406 936207021 /nfs/dbraw/zinc/20/70/21/936207021.db2.gz DOVKXRMZSQLCJL-VXGBXAGGSA-N 1 0 362.455 3.654 20 5 FHBDRO Cc1cnc(NCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000078631443 936223846 /nfs/dbraw/zinc/22/38/46/936223846.db2.gz WRZNTDFDOKOIFY-HZPDHXFCSA-N 1 0 370.453 3.520 20 5 FHBDRO Cc1cnc(Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c([N+](=O)[O-])c1 ZINC000078659093 936227750 /nfs/dbraw/zinc/22/77/50/936227750.db2.gz FZYYGWQZLJWDHM-UHFFFAOYSA-N 1 0 373.432 3.711 20 5 FHBDRO COc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000511798329 945156731 /nfs/dbraw/zinc/15/67/31/945156731.db2.gz SAPFUESCHKBZPN-GUDVDZBRSA-N 1 0 368.433 3.608 20 5 FHBDRO CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC000507351373 945165203 /nfs/dbraw/zinc/16/52/03/945165203.db2.gz WTSFSBRRDFTNCA-MRXNPFEDSA-N 1 0 371.437 3.713 20 5 FHBDRO CCC[N@@H+]1Cc2cccc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000255577528 938365365 /nfs/dbraw/zinc/36/53/65/938365365.db2.gz PLBCLMBKMNQKDE-FLIBITNWSA-N 1 0 351.406 3.972 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000583888329 938467539 /nfs/dbraw/zinc/46/75/39/938467539.db2.gz IDYCSYZOSGKQGG-CVEARBPZSA-N 1 0 364.442 3.928 20 5 FHBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccccc1Br ZINC000179001113 938480784 /nfs/dbraw/zinc/48/07/84/938480784.db2.gz RSIXAJYQQUXGAF-INIZCTEOSA-N 1 0 365.227 3.523 20 5 FHBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000047453368 945183822 /nfs/dbraw/zinc/18/38/22/945183822.db2.gz NEEFIUBKJFGCPH-ZDUSSCGKSA-N 1 0 359.451 3.776 20 5 FHBDRO CCC[N@H+](CC)C[C@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000584142554 938618346 /nfs/dbraw/zinc/61/83/46/938618346.db2.gz GDDLVXBKENLDKS-AWEZNQCLSA-N 1 0 362.499 3.928 20 5 FHBDRO C[N@@H+]1CCC[C@@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000108428821 945196361 /nfs/dbraw/zinc/19/63/61/945196361.db2.gz HVHDAZPAAQOLRW-ZDUSSCGKSA-N 1 0 363.845 3.940 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCCC3)CC2)cc1OC(F)F ZINC000080982523 938712598 /nfs/dbraw/zinc/71/25/98/938712598.db2.gz WMTXGQQSHFCZDY-UHFFFAOYSA-N 1 0 355.385 3.697 20 5 FHBDRO O=C(CC[NH2+]Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000548825356 938716042 /nfs/dbraw/zinc/71/60/42/938716042.db2.gz UYTYDYFICAMNKY-UHFFFAOYSA-N 1 0 367.327 3.732 20 5 FHBDRO CN(C(=O)C[N@H+](C)Cc1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000053017243 938786629 /nfs/dbraw/zinc/78/66/29/938786629.db2.gz WBGDDOXIDJOFQN-UHFFFAOYSA-N 1 0 363.417 3.843 20 5 FHBDRO Cc1c(NC(=O)CC[NH2+][C@H](c2ccccc2)C2CC2)cccc1[N+](=O)[O-] ZINC000179102018 938894194 /nfs/dbraw/zinc/89/41/94/938894194.db2.gz GLUZOUBCDHZJHU-HXUWFJFHSA-N 1 0 353.422 3.973 20 5 FHBDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)cc1[N+](=O)[O-] ZINC000573263487 938908686 /nfs/dbraw/zinc/90/86/86/938908686.db2.gz UQGUQHWZQKPEQV-RMRDIRSESA-N 1 0 362.470 3.755 20 5 FHBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](c2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC000179108426 938944290 /nfs/dbraw/zinc/94/42/90/938944290.db2.gz BQUMXJWZESRXEB-FQEVSTJZSA-N 1 0 369.421 3.673 20 5 FHBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000431567490 938976033 /nfs/dbraw/zinc/97/60/33/938976033.db2.gz VMNCYWUCSWLXFF-KBXCAEBGSA-N 1 0 372.469 3.707 20 5 FHBDRO Cn1cccc1[C@@H]1CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179219367 938991119 /nfs/dbraw/zinc/99/11/19/938991119.db2.gz FDSOFXGCFRQETO-SFHVURJKSA-N 1 0 352.394 3.925 20 5 FHBDRO Cc1ccc([C@@H](C)[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000544069379 938991632 /nfs/dbraw/zinc/99/16/32/938991632.db2.gz NXIDUXNVQMOSMT-SJORKVTESA-N 1 0 358.438 3.644 20 5 FHBDRO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511294229 938991751 /nfs/dbraw/zinc/99/17/51/938991751.db2.gz QNCNZNKKYUVMKH-KGLIPLIRSA-N 1 0 371.437 3.724 20 5 FHBDRO C[C@H]([NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000187593262 938994847 /nfs/dbraw/zinc/99/48/47/938994847.db2.gz MTKNFCRUBGWWKK-AWEZNQCLSA-N 1 0 361.442 3.813 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000472341978 939001157 /nfs/dbraw/zinc/00/11/57/939001157.db2.gz IBFIPHMORVLIFN-SJLPKXTDSA-N 1 0 367.449 3.795 20 5 FHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1 ZINC000611983711 939011825 /nfs/dbraw/zinc/01/18/25/939011825.db2.gz BGOIESNZFXNPPX-CQSZACIVSA-N 1 0 363.364 3.656 20 5 FHBDRO NC(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000102420618 939018587 /nfs/dbraw/zinc/01/85/87/939018587.db2.gz AIXQPDIZUBIWKX-UHFFFAOYSA-N 1 0 367.430 3.712 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]Cc3ccccc3CO)o2)c([N+](=O)[O-])c1 ZINC000102424322 939018611 /nfs/dbraw/zinc/01/86/11/939018611.db2.gz XTCHGKQWQZDIMZ-UHFFFAOYSA-N 1 0 368.389 3.646 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000179392273 939139733 /nfs/dbraw/zinc/13/97/33/939139733.db2.gz DZLIPQUDFODCJW-ZDUSSCGKSA-N 1 0 358.394 3.616 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000179426588 939155560 /nfs/dbraw/zinc/15/55/60/939155560.db2.gz XTEYAZGZLHRNKQ-QAPCUYQASA-N 1 0 358.438 3.810 20 5 FHBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000516780501 945233417 /nfs/dbraw/zinc/23/34/17/945233417.db2.gz HYFUWPGZXYUTHA-KRWDZBQOSA-N 1 0 371.462 3.616 20 5 FHBDRO Cc1cccc([C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)c1 ZINC000612172537 939188447 /nfs/dbraw/zinc/18/84/47/939188447.db2.gz ZDGBJWCLTJSYGM-MRXNPFEDSA-N 1 0 354.406 3.759 20 5 FHBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1F ZINC000518269763 945274747 /nfs/dbraw/zinc/27/47/47/945274747.db2.gz MMOBLOZYZBZEHY-UHFFFAOYSA-N 1 0 373.428 3.685 20 5 FHBDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1C ZINC000544143118 945277575 /nfs/dbraw/zinc/27/75/75/945277575.db2.gz YCKHOPOAJSKMAI-IEBWSBKVSA-N 1 0 370.449 3.788 20 5 FHBDRO COc1cc(C)c([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])cc1OC ZINC000179630931 939899301 /nfs/dbraw/zinc/89/93/01/939899301.db2.gz WOTAHUPSWNENHS-AWEZNQCLSA-N 1 0 360.410 3.650 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@]2(CO)CCc3ccccc32)o1 ZINC000135899905 939912629 /nfs/dbraw/zinc/91/26/29/939912629.db2.gz ZTOCRDREGARRMG-OAQYLSRUSA-N 1 0 364.401 3.778 20 5 FHBDRO CCOc1ccccc1[C@@H](CC)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000179742331 939927904 /nfs/dbraw/zinc/92/79/04/939927904.db2.gz PSOLLDQYOYOTKY-QGZVFWFLSA-N 1 0 371.437 3.981 20 5 FHBDRO CCOc1ccccc1[C@H](CC)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000179742318 939927941 /nfs/dbraw/zinc/92/79/41/939927941.db2.gz PSOLLDQYOYOTKY-KRWDZBQOSA-N 1 0 371.437 3.981 20 5 FHBDRO COc1cc(C[N@H+](C)C2CCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000179797794 939938399 /nfs/dbraw/zinc/93/83/99/939938399.db2.gz LIDZWFCHYIBEAJ-UHFFFAOYSA-N 1 0 362.348 3.919 20 5 FHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000364444453 939942273 /nfs/dbraw/zinc/94/22/73/939942273.db2.gz MOGDRIHVWYPJFI-HUUCEWRRSA-N 1 0 357.458 3.585 20 5 FHBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000410849825 939965361 /nfs/dbraw/zinc/96/53/61/939965361.db2.gz AGYMZGFSMULMFF-UHFFFAOYSA-N 1 0 373.375 3.562 20 5 FHBDRO CSc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000507504976 945285896 /nfs/dbraw/zinc/28/58/96/945285896.db2.gz DCYNIOLQTHCRMI-OLZOCXBDSA-N 1 0 359.451 3.995 20 5 FHBDRO CC[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000188509150 939971634 /nfs/dbraw/zinc/97/16/34/939971634.db2.gz NWVWLJMZYQOHFP-MRXNPFEDSA-N 1 0 359.392 3.910 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000162245593 940005787 /nfs/dbraw/zinc/00/57/87/940005787.db2.gz SQJNVXKSEJXRRO-MRXNPFEDSA-N 1 0 354.454 3.613 20 5 FHBDRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000062368705 940027757 /nfs/dbraw/zinc/02/77/57/940027757.db2.gz ODEVTLATONUSJN-UHFFFAOYSA-N 1 0 374.416 3.638 20 5 FHBDRO COc1ccc(NC(=O)CC[N@H+]([C@H](C)c2ccco2)C2CC2)c([N+](=O)[O-])c1 ZINC000411394511 940037320 /nfs/dbraw/zinc/03/73/20/940037320.db2.gz UGWIKPCTGUPOIT-CYBMUJFWSA-N 1 0 373.409 3.751 20 5 FHBDRO CC(C)[C@@H](NC(=O)CN(C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000548933596 940091662 /nfs/dbraw/zinc/09/16/62/940091662.db2.gz HHYJMPKTQJMSSG-OAQYLSRUSA-N 1 0 369.465 3.583 20 5 FHBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(C)cc1 ZINC000181677615 945295869 /nfs/dbraw/zinc/29/58/69/945295869.db2.gz GCLRBDGXLQNOBH-QGZVFWFLSA-N 1 0 371.437 3.981 20 5 FHBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411994885 940179845 /nfs/dbraw/zinc/17/98/45/940179845.db2.gz BKIGTWFVSJNUOB-HXUWFJFHSA-N 1 0 368.433 3.827 20 5 FHBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000613180539 940480484 /nfs/dbraw/zinc/48/04/84/940480484.db2.gz NVJFOEKBLVCCDW-QGZVFWFLSA-N 1 0 370.453 3.536 20 5 FHBDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000580602026 940482118 /nfs/dbraw/zinc/48/21/18/940482118.db2.gz ZMPHSBQYXSGUAR-HOCLYGCPSA-N 1 0 371.412 3.941 20 5 FHBDRO CCCCOc1ncccc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000580827127 940486505 /nfs/dbraw/zinc/48/65/05/940486505.db2.gz ICVRIHILJULVPG-SJORKVTESA-N 1 0 373.457 3.639 20 5 FHBDRO C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000581088048 940493332 /nfs/dbraw/zinc/49/33/32/940493332.db2.gz JANHTEMGNRZHIC-HNNXBMFYSA-N 1 0 373.497 3.839 20 5 FHBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000581703516 940590097 /nfs/dbraw/zinc/59/00/97/940590097.db2.gz BALYSORLIXCDGC-AYBZRNKSSA-N 1 0 361.486 3.715 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000427389854 945333856 /nfs/dbraw/zinc/33/38/56/945333856.db2.gz HJNPWIRNHCHXBL-UHFFFAOYSA-N 1 0 369.421 3.760 20 5 FHBDRO COc1ccccc1C1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000581864100 940628169 /nfs/dbraw/zinc/62/81/69/940628169.db2.gz MSAFUEGNOVBAOQ-IAGOWNOFSA-N 1 0 370.453 3.605 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CCC4(CCOCC4)CC3)c2c1 ZINC000582086207 940651822 /nfs/dbraw/zinc/65/18/22/940651822.db2.gz MVYBOSOFKPCRCL-UHFFFAOYSA-N 1 0 357.454 3.948 20 5 FHBDRO C[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000174179967 940712440 /nfs/dbraw/zinc/71/24/40/940712440.db2.gz DIRGMQWZZKDSHY-INIZCTEOSA-N 1 0 368.437 3.723 20 5 FHBDRO COc1cccc2c1C[C@@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C2 ZINC000414178869 940714411 /nfs/dbraw/zinc/71/44/11/940714411.db2.gz KLVDNILSQVAUJZ-HKUYNNGSSA-N 1 0 352.434 3.682 20 5 FHBDRO C[C@H](C1CC1)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000582565520 940732589 /nfs/dbraw/zinc/73/25/89/940732589.db2.gz AOXDKAJUXYFZND-MRXNPFEDSA-N 1 0 367.449 3.858 20 5 FHBDRO COc1ccc([C@H](CO)C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000414190023 940737339 /nfs/dbraw/zinc/73/73/39/940737339.db2.gz RPPOEFKXZHUYEX-YWZLYKJASA-N 1 0 370.449 3.692 20 5 FHBDRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000414254371 940838643 /nfs/dbraw/zinc/83/86/43/940838643.db2.gz URTWIDDFQCHHOI-CWFSZBLJSA-N 1 0 370.453 3.556 20 5 FHBDRO CC[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000414266174 940863794 /nfs/dbraw/zinc/86/37/94/940863794.db2.gz RIVTUPCXNMLZPP-DOMZBBRYSA-N 1 0 370.375 3.986 20 5 FHBDRO C[NH+](C)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000180366303 940989267 /nfs/dbraw/zinc/98/92/67/940989267.db2.gz ZJTVVINJOUYUON-UHFFFAOYSA-N 1 0 365.336 3.510 20 5 FHBDRO C[C@H]([NH2+]CC(=O)N(C)[C@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000180420423 941009837 /nfs/dbraw/zinc/00/98/37/941009837.db2.gz CLKLMPCIVQKJIA-YWZLYKJASA-N 1 0 367.449 3.781 20 5 FHBDRO C[C@H]([NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000180452811 941018195 /nfs/dbraw/zinc/01/81/95/941018195.db2.gz MZUUEJIZMSXRLF-NYSBEXSLSA-N 1 0 370.449 3.701 20 5 FHBDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414353673 941029687 /nfs/dbraw/zinc/02/96/87/941029687.db2.gz ZAFYPDKNCRGUGD-QWHCGFSZSA-N 1 0 361.467 3.887 20 5 FHBDRO CCOc1cccc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000180688256 941064082 /nfs/dbraw/zinc/06/40/82/941064082.db2.gz LQOASAYAKIIDTC-AWEZNQCLSA-N 1 0 357.410 3.673 20 5 FHBDRO CC[C@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180723094 941068629 /nfs/dbraw/zinc/06/86/29/941068629.db2.gz HXJYTRJKQZHXEV-SFHVURJKSA-N 1 0 359.401 3.595 20 5 FHBDRO C[C@H]1C[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000176721205 941073697 /nfs/dbraw/zinc/07/36/97/941073697.db2.gz ZTPMHTJAFDLQCT-YOEHRIQHSA-N 1 0 371.412 3.517 20 5 FHBDRO O=C(CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000472607935 941084583 /nfs/dbraw/zinc/08/45/83/941084583.db2.gz OAFGGDDRAUTIDD-QZTJIDSGSA-N 1 0 367.449 3.924 20 5 FHBDRO O=C(NCCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000180930564 941093688 /nfs/dbraw/zinc/09/36/88/941093688.db2.gz XSEBZYHOOQHNMC-FQEVSTJZSA-N 1 0 367.449 3.580 20 5 FHBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000236733164 941102889 /nfs/dbraw/zinc/10/28/89/941102889.db2.gz QWCJIWIUZZIICN-INIZCTEOSA-N 1 0 361.829 3.801 20 5 FHBDRO CC[C@H]([NH2+][C@H]1CCN(Cc2ccc(C)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000189077518 941146535 /nfs/dbraw/zinc/14/65/35/941146535.db2.gz YQQUMCPWIPYJFT-PMACEKPBSA-N 1 0 367.449 3.745 20 5 FHBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000311249054 941152428 /nfs/dbraw/zinc/15/24/28/941152428.db2.gz VNFLQWPNDDLBSY-GDBMZVCRSA-N 1 0 363.458 3.720 20 5 FHBDRO Cc1cccc2c1OCC[C@H]2[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000189374702 941157914 /nfs/dbraw/zinc/15/79/14/941157914.db2.gz GNECXDFFZINXRZ-RDTXWAMCSA-N 1 0 369.421 3.734 20 5 FHBDRO Cc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1C(F)(F)F ZINC000414450576 941160242 /nfs/dbraw/zinc/16/02/42/941160242.db2.gz XZHKUNJWJGAEGF-UHFFFAOYSA-N 1 0 368.359 3.956 20 5 FHBDRO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000584517521 941212618 /nfs/dbraw/zinc/21/26/18/941212618.db2.gz PVJPJTSYUWZMDN-MRXNPFEDSA-N 1 0 367.449 3.990 20 5 FHBDRO C[NH+](C)[C@H](CNc1cccnc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000613578487 941267706 /nfs/dbraw/zinc/26/77/06/941267706.db2.gz FFLQNIAGWYQOOO-CQSZACIVSA-N 1 0 354.332 3.723 20 5 FHBDRO CC(C)c1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000189794729 941281988 /nfs/dbraw/zinc/28/19/88/941281988.db2.gz JPTJZAVLDGUFLC-UHFFFAOYSA-N 1 0 359.470 3.666 20 5 FHBDRO CC[C@H](C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC(F)(F)F ZINC000414515332 941370564 /nfs/dbraw/zinc/37/05/64/941370564.db2.gz LVSWTQRQHLRIQG-JTQLQIEISA-N 1 0 350.337 3.680 20 5 FHBDRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cn1 ZINC000414505620 941373774 /nfs/dbraw/zinc/37/37/74/941373774.db2.gz MFZBDLHSZXUVMS-OXJNMPFZSA-N 1 0 372.469 3.802 20 5 FHBDRO CC(C)[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@@H]1CCC(=O)N1 ZINC000414557587 941378717 /nfs/dbraw/zinc/37/87/17/941378717.db2.gz MCCUOBXWEAKRHT-HNNXBMFYSA-N 1 0 373.478 3.812 20 5 FHBDRO CC1(NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC[NH2+]CC1 ZINC000415184111 941657638 /nfs/dbraw/zinc/65/76/38/941657638.db2.gz DFPBOHIIULCXEZ-UHFFFAOYSA-N 1 0 370.409 3.651 20 5 FHBDRO C[C@@H](CCC[NH3+])NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415196197 941666980 /nfs/dbraw/zinc/66/69/80/941666980.db2.gz RDMJYTIXAITBGY-ZDUSSCGKSA-N 1 0 358.398 3.636 20 5 FHBDRO COc1cc(NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000311959454 941706461 /nfs/dbraw/zinc/70/64/61/941706461.db2.gz IZXILAIWPDANFA-FQEVSTJZSA-N 1 0 355.438 3.928 20 5 FHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473521424 941743719 /nfs/dbraw/zinc/74/37/19/941743719.db2.gz OVGAQXSBOOAPIU-BFYDXBDKSA-N 1 0 354.454 3.985 20 5 FHBDRO C[C@@H](CCNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000472798929 941812420 /nfs/dbraw/zinc/81/24/20/941812420.db2.gz XQTPMPXRCGMNJS-HNNXBMFYSA-N 1 0 356.426 3.627 20 5 FHBDRO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1c(F)cncc1F ZINC000513247069 941813214 /nfs/dbraw/zinc/81/32/14/941813214.db2.gz IXJRQDJRJMHDFH-NSHDSACASA-N 1 0 374.347 3.816 20 5 FHBDRO O=C(CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])N1Cc2ccccc2C1 ZINC000892978123 941828850 /nfs/dbraw/zinc/82/88/50/941828850.db2.gz ZDIMHVSKCFPWPY-UHFFFAOYSA-N 1 0 373.840 3.660 20 5 FHBDRO CC(C)c1nnc([C@@H]2CC23CC[NH+](Cc2ccccc2[N+](=O)[O-])CC3)o1 ZINC000377617024 941846830 /nfs/dbraw/zinc/84/68/30/941846830.db2.gz VQADHBVBYIYBRV-HNNXBMFYSA-N 1 0 356.426 3.871 20 5 FHBDRO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000513371486 941880868 /nfs/dbraw/zinc/88/08/68/941880868.db2.gz OOQOOBYZIHHEOW-QGZVFWFLSA-N 1 0 356.422 3.955 20 5 FHBDRO COc1ccccc1O[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000513386811 941884921 /nfs/dbraw/zinc/88/49/21/941884921.db2.gz QQFOGZUFFQRNEA-MRXNPFEDSA-N 1 0 372.421 3.526 20 5 FHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000236797224 941961271 /nfs/dbraw/zinc/96/12/71/941961271.db2.gz DEZBQXULIBNKHG-KXBFYZLASA-N 1 0 355.438 3.668 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000182720496 941961881 /nfs/dbraw/zinc/96/18/81/941961881.db2.gz PXGZTSPJTVGPAK-HOTGVXAUSA-N 1 0 361.486 3.837 20 5 FHBDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000290343574 941969630 /nfs/dbraw/zinc/96/96/30/941969630.db2.gz FOPWBHWHHMSEHE-SFHVURJKSA-N 1 0 361.467 3.845 20 5 FHBDRO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000101917031 942019789 /nfs/dbraw/zinc/01/97/89/942019789.db2.gz FDUKOBYIAITMGM-UHFFFAOYSA-N 1 0 357.385 3.585 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000085620840 942031205 /nfs/dbraw/zinc/03/12/05/942031205.db2.gz CMLYLHUCIKXGST-UHFFFAOYSA-N 1 0 362.474 3.988 20 5 FHBDRO CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000158999686 942039260 /nfs/dbraw/zinc/03/92/60/942039260.db2.gz HGPNDOCQYLDPDH-INIZCTEOSA-N 1 0 363.483 3.851 20 5 FHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)c2c(c1)COCO2 ZINC000513637117 942049532 /nfs/dbraw/zinc/04/95/32/942049532.db2.gz FTWYOBDLKXJPLI-KRWDZBQOSA-N 1 0 368.433 3.916 20 5 FHBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@@H]3COCCO3)cc2[N+](=O)[O-])cc1 ZINC000513649329 942054603 /nfs/dbraw/zinc/05/46/03/942054603.db2.gz WSKBJBIRCAFCBE-MRXNPFEDSA-N 1 0 374.462 3.559 20 5 FHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)N1CCCc2ccccc21 ZINC000468629683 942059895 /nfs/dbraw/zinc/05/98/95/942059895.db2.gz VOSNHWSBAGHVSN-VBKFSLOCSA-N 1 0 365.433 3.567 20 5 FHBDRO Cn1ccnc1[C@H]([NH2+][C@@H]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000513662652 942072016 /nfs/dbraw/zinc/07/20/16/942072016.db2.gz YGOPVIXAQXMFMV-UYAOXDASSA-N 1 0 362.433 3.565 20 5 FHBDRO Cc1ccc(NC2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000366648760 942145836 /nfs/dbraw/zinc/14/58/36/942145836.db2.gz AUNKXXLBVYWXJT-FQEVSTJZSA-N 1 0 355.438 3.513 20 5 FHBDRO C[N@@H+](Cc1csc2ccccc12)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000502002499 942164074 /nfs/dbraw/zinc/16/40/74/942164074.db2.gz PUDOTWFZMHDLKI-MRXNPFEDSA-N 1 0 372.446 3.681 20 5 FHBDRO COCc1cc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1F ZINC000151176597 942190320 /nfs/dbraw/zinc/19/03/20/942190320.db2.gz FYEDCHXBIPECSQ-LJQANCHMSA-N 1 0 358.413 3.991 20 5 FHBDRO CO[C@@]1(C)CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000280572646 942209525 /nfs/dbraw/zinc/20/95/25/942209525.db2.gz SCIMHMYOSYWRNW-UGSOOPFHSA-N 1 0 360.414 3.597 20 5 FHBDRO CO[C@@]1(C)CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000280572638 942209649 /nfs/dbraw/zinc/20/96/49/942209649.db2.gz SCIMHMYOSYWRNW-ACJLOTCBSA-N 1 0 360.414 3.597 20 5 FHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000137173491 942241969 /nfs/dbraw/zinc/24/19/69/942241969.db2.gz ANAUYCBKVQGBJB-CQSZACIVSA-N 1 0 365.499 3.559 20 5 FHBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000420948700 942271545 /nfs/dbraw/zinc/27/15/45/942271545.db2.gz OCJINVDHCFNNOP-LBPRGKRZSA-N 1 0 362.348 3.647 20 5 FHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413084358 942272007 /nfs/dbraw/zinc/27/20/07/942272007.db2.gz UQHOWFISATYIHO-UPJWGTAASA-N 1 0 372.391 3.850 20 5 FHBDRO CC(C)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000501086860 942291506 /nfs/dbraw/zinc/29/15/06/942291506.db2.gz AVOMBIDYXKUUNW-UHFFFAOYSA-N 1 0 359.401 3.973 20 5 FHBDRO CN(C(=O)C[NH2+][C@H](CC(F)F)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000421001523 942297278 /nfs/dbraw/zinc/29/72/78/942297278.db2.gz XGGQMGYARJMMHU-MRXNPFEDSA-N 1 0 363.364 3.544 20 5 FHBDRO CSc1cccc(C(=O)NCCC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000188037968 942317353 /nfs/dbraw/zinc/31/73/53/942317353.db2.gz NAWZFZSODHHHGR-UHFFFAOYSA-N 1 0 365.499 3.701 20 5 FHBDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000481082470 942323611 /nfs/dbraw/zinc/32/36/11/942323611.db2.gz NIYQBWFJYJVMSW-UKRRQHHQSA-N 1 0 361.442 3.697 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000502286866 942334138 /nfs/dbraw/zinc/33/41/38/942334138.db2.gz MYIHOKDUHWICHO-CQSZACIVSA-N 1 0 374.437 3.650 20 5 FHBDRO C[NH+](C)C1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000421089385 942339587 /nfs/dbraw/zinc/33/95/87/942339587.db2.gz MRRDIDCSVDALLM-UHFFFAOYSA-N 1 0 374.363 3.608 20 5 FHBDRO Cc1c(C(=O)N(CCCc2ccccc2)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000502359810 942379120 /nfs/dbraw/zinc/37/91/20/942379120.db2.gz IBZBVZFNZRWUFU-UHFFFAOYSA-N 1 0 369.465 3.540 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000421241722 942451618 /nfs/dbraw/zinc/45/16/18/942451618.db2.gz JQWIPVLQNABTQW-UHFFFAOYSA-N 1 0 352.394 3.990 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2cccnc21 ZINC000413199959 942472365 /nfs/dbraw/zinc/47/23/65/942472365.db2.gz JTKMKTVQBCDUCK-RHSMWYFYSA-N 1 0 352.438 3.596 20 5 FHBDRO C[NH+](C)[C@@H](CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000416199979 942479936 /nfs/dbraw/zinc/47/99/36/942479936.db2.gz AUQOKRWPTLDGHB-KRWDZBQOSA-N 1 0 361.829 3.557 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CCC([C@H]3CCC[NH2+]3)CC2)nc1-c1ccc(F)cc1 ZINC000420218074 942577775 /nfs/dbraw/zinc/57/77/75/942577775.db2.gz OKDKESIHNGVYTP-QGZVFWFLSA-N 1 0 370.428 3.764 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000421529420 942640689 /nfs/dbraw/zinc/64/06/89/942640689.db2.gz SRKOFLUFHCNFHU-UHFFFAOYSA-N 1 0 373.497 3.985 20 5 FHBDRO C[C@@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000514081513 942733469 /nfs/dbraw/zinc/73/34/69/942733469.db2.gz CCXVPQFSYSITSA-KXBFYZLASA-N 1 0 350.422 3.811 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000413938277 942805477 /nfs/dbraw/zinc/80/54/77/942805477.db2.gz KWHVPMRZTMVRKD-UHFFFAOYSA-N 1 0 359.401 3.973 20 5 FHBDRO COCc1nccc([C@H]2CCC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000378507409 942835886 /nfs/dbraw/zinc/83/58/86/942835886.db2.gz UWVNTSLXVBOBFB-CVEARBPZSA-N 1 0 370.453 3.780 20 5 FHBDRO COc1cc(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)ccc1[N+](=O)[O-] ZINC000434738143 942931498 /nfs/dbraw/zinc/93/14/98/942931498.db2.gz RIWLUDYVJKHKQG-UHFFFAOYSA-N 1 0 370.453 3.516 20 5 FHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccsc1 ZINC000031987286 943002663 /nfs/dbraw/zinc/00/26/63/943002663.db2.gz APDPNRNLNBNGIC-LBPRGKRZSA-N 1 0 353.469 3.531 20 5 FHBDRO C[C@@]1(CCc2ccccc2)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000434910868 943046622 /nfs/dbraw/zinc/04/66/22/943046622.db2.gz WJVPVQZZZYLENP-OAQYLSRUSA-N 1 0 367.449 3.539 20 5 FHBDRO COc1cc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c([N+](=O)[O-])cc1F ZINC000425242537 943052205 /nfs/dbraw/zinc/05/22/05/943052205.db2.gz RUNIKDSMEFKCQV-ZDUSSCGKSA-N 1 0 374.416 3.775 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@@H]3CCC[C@H]3OC(F)F)o2)c1 ZINC000503398934 943161295 /nfs/dbraw/zinc/16/12/95/943161295.db2.gz KVXXDUZFVJFOII-ZIAGYGMSSA-N 1 0 367.352 3.542 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CCC([NH2+]CC4CC4)CC3)cs2)c1 ZINC000435378860 943368989 /nfs/dbraw/zinc/36/89/89/943368989.db2.gz KHZRCBZXIITDNV-UHFFFAOYSA-N 1 0 372.494 3.682 20 5 FHBDRO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000435379938 943369796 /nfs/dbraw/zinc/36/97/96/943369796.db2.gz LNKJOWXEWQBFEJ-HIFRSBDPSA-N 1 0 359.401 3.695 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CCC([C@H]4CCC[NH2+]4)CC3)cs2)c1 ZINC000435382167 943371225 /nfs/dbraw/zinc/37/12/25/943371225.db2.gz ZVBWEWOKESYHKK-GOSISDBHSA-N 1 0 372.494 3.682 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)[C@@H]3CCCOC3)o2)c([N+](=O)[O-])c1 ZINC000503891077 943405924 /nfs/dbraw/zinc/40/59/24/943405924.db2.gz HIUPEPKIQHJQDP-UONOGXRCSA-N 1 0 360.410 3.768 20 5 FHBDRO CC[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000423328554 943481250 /nfs/dbraw/zinc/48/12/50/943481250.db2.gz KUVQLFDOSNGKIR-QHAWAJNXSA-N 1 0 369.465 3.790 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1OCCO)CCCC2 ZINC000417301705 943495276 /nfs/dbraw/zinc/49/52/76/943495276.db2.gz BVYCJLDCFINCJD-IBGZPJMESA-N 1 0 356.422 3.523 20 5 FHBDRO CCOc1ccc([C@H](C)NC[C@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000423446940 943513396 /nfs/dbraw/zinc/51/33/96/943513396.db2.gz ZMFAAWHZXQBFDB-KBXCAEBGSA-N 1 0 355.438 3.531 20 5 FHBDRO O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1)N1CCCC1 ZINC000417331979 943521132 /nfs/dbraw/zinc/52/11/32/943521132.db2.gz NEQZHXZRZQKPQY-FUHIMQAGSA-N 1 0 371.481 3.743 20 5 FHBDRO Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000417349361 943528329 /nfs/dbraw/zinc/52/83/29/943528329.db2.gz DYIPRSCVCOEXDR-MNEFBYGVSA-N 1 0 370.453 3.606 20 5 FHBDRO COC1CCC([N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425404520 943573574 /nfs/dbraw/zinc/57/35/74/943573574.db2.gz LRMHFMWNQAYAGO-UHFFFAOYSA-N 1 0 357.248 3.747 20 5 FHBDRO C[S@](=O)C1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCC1 ZINC000435733605 943587235 /nfs/dbraw/zinc/58/72/35/943587235.db2.gz UBZRDWINJJBVRQ-DEOSSOPVSA-N 1 0 364.492 3.714 20 5 FHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000516933030 943843017 /nfs/dbraw/zinc/84/30/17/943843017.db2.gz MRIRXUSZXFUFDH-UKTHLTGXSA-N 1 0 357.376 3.614 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000504900307 943877269 /nfs/dbraw/zinc/87/72/69/943877269.db2.gz VKXPQBQLDKOIOJ-IRXDYDNUSA-N 1 0 360.479 3.659 20 5 FHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOc2cccc(Br)c2)cc1 ZINC000048446827 943877484 /nfs/dbraw/zinc/87/74/84/943877484.db2.gz IEVUVFKQXMNQAN-UHFFFAOYSA-N 1 0 351.200 3.526 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000504894641 943892532 /nfs/dbraw/zinc/89/25/32/943892532.db2.gz NGYUEGJBIJHNQG-LPHOPBHVSA-N 1 0 369.465 3.919 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000504905242 943903057 /nfs/dbraw/zinc/90/30/57/943903057.db2.gz FTVZSUAEXPJTGY-BZUAXINKSA-N 1 0 351.516 3.928 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2ccc(OC)cc2OC)cc1[N+](=O)[O-] ZINC000504911399 943907883 /nfs/dbraw/zinc/90/78/83/943907883.db2.gz FPDXPAHWQCKZON-CQSZACIVSA-N 1 0 374.437 3.904 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccnc1N(C)C ZINC000504911911 943908015 /nfs/dbraw/zinc/90/80/15/943908015.db2.gz NMIBJESTTDSCON-HNNXBMFYSA-N 1 0 360.483 3.716 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2cc(OC)ccc2OC)cc1[N+](=O)[O-] ZINC000504911593 943908214 /nfs/dbraw/zinc/90/82/14/943908214.db2.gz ISCOORGTFWTXAT-CQSZACIVSA-N 1 0 374.437 3.904 20 5 FHBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2ccc(Cl)cc2Cl)c1 ZINC000749647611 943908296 /nfs/dbraw/zinc/90/82/96/943908296.db2.gz OSRSXGZTXAIJDL-INIZCTEOSA-N 1 0 355.221 3.767 20 5 FHBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000425440633 943923601 /nfs/dbraw/zinc/92/36/01/943923601.db2.gz DZMORKCGMXYWST-HNNXBMFYSA-N 1 0 369.259 3.796 20 5 FHBDRO C[NH+](C)C1(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCCCC1 ZINC000437668433 944022280 /nfs/dbraw/zinc/02/22/80/944022280.db2.gz BFQXJDIBISFAMW-UHFFFAOYSA-N 1 0 374.485 3.533 20 5 FHBDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500093947 944084351 /nfs/dbraw/zinc/08/43/51/944084351.db2.gz SWXAIUKYWYEQFH-RDJZCZTQSA-N 1 0 353.422 3.801 20 5 FHBDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500126385 944141378 /nfs/dbraw/zinc/14/13/78/944141378.db2.gz RZXVNNFEZGRGKB-GDBMZVCRSA-N 1 0 371.412 3.941 20 5 FHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000436298652 944182664 /nfs/dbraw/zinc/18/26/64/944182664.db2.gz ZMRVIIIFZYOZDA-DZKIICNBSA-N 1 0 371.412 3.987 20 5 FHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@H](c3ccccc3F)C2)n1 ZINC000436301180 944185258 /nfs/dbraw/zinc/18/52/58/944185258.db2.gz YGLWGTRCOWFMOY-USJZOSNVSA-N 1 0 358.417 3.950 20 5 FHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)n1 ZINC000436302031 944186417 /nfs/dbraw/zinc/18/64/17/944186417.db2.gz QPFQYCMJEIGASB-DDBAPUKQSA-N 1 0 358.417 3.950 20 5 FHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436303068 944186808 /nfs/dbraw/zinc/18/68/08/944186808.db2.gz BMIVTCZPVVSILL-XQQFMLRXSA-N 1 0 372.391 3.850 20 5 FHBDRO COc1ccc(CNC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000312655969 944192451 /nfs/dbraw/zinc/19/24/51/944192451.db2.gz LOPRSFIYXUDLQU-NRFANRHFSA-N 1 0 369.465 3.605 20 5 FHBDRO CC1CC[NH+](CCCCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436307854 944205743 /nfs/dbraw/zinc/20/57/43/944205743.db2.gz NZVRONISLIDQEN-UHFFFAOYSA-N 1 0 360.380 3.933 20 5 FHBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(F)c1 ZINC000518336044 944283156 /nfs/dbraw/zinc/28/31/56/944283156.db2.gz OZHKIBZPKFHQFI-APWZRJJASA-N 1 0 370.428 3.620 20 5 FHBDRO CC(C)c1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1[N+](=O)[O-] ZINC000439133376 944351894 /nfs/dbraw/zinc/35/18/94/944351894.db2.gz RPOXDCAGMZUIQS-GOSISDBHSA-N 1 0 371.437 3.878 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000506180871 944365899 /nfs/dbraw/zinc/36/58/99/944365899.db2.gz YKRDHOFGEIDYKM-ZDUSSCGKSA-N 1 0 353.488 3.557 20 5 FHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000518430084 944374519 /nfs/dbraw/zinc/37/45/19/944374519.db2.gz AFFOJSCNKWILQL-RHSMWYFYSA-N 1 0 354.410 3.552 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000506182323 944388902 /nfs/dbraw/zinc/38/89/02/944388902.db2.gz JKBHEVPRLAFDQY-UHFFFAOYSA-N 1 0 365.499 3.653 20 5 FHBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000425960794 944414049 /nfs/dbraw/zinc/41/40/49/944414049.db2.gz YWKAEBMJRIQEJL-VXGBXAGGSA-N 1 0 350.802 3.711 20 5 FHBDRO CC(C)c1nnc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000426307565 944430854 /nfs/dbraw/zinc/43/08/54/944430854.db2.gz SAIOUPCOHXNRPS-HNNXBMFYSA-N 1 0 360.483 3.723 20 5 FHBDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000311252956 944455666 /nfs/dbraw/zinc/45/56/66/944455666.db2.gz PBBBNAOQUODKTE-GOEBONIOSA-N 1 0 363.458 3.768 20 5 FHBDRO Cc1cc(NC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000473789232 944469019 /nfs/dbraw/zinc/46/90/19/944469019.db2.gz RTDBPIHMKOOCLY-CRAIPNDOSA-N 1 0 368.437 3.860 20 5 FHBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000843740415 944472301 /nfs/dbraw/zinc/47/23/01/944472301.db2.gz WWXDNDWWOQEODI-AZUAARDMSA-N 1 0 365.433 3.660 20 5 FHBDRO CCC[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000159124627 944473663 /nfs/dbraw/zinc/47/36/63/944473663.db2.gz XSULGLWZCZMWGG-UXHICEINSA-N 1 0 369.465 3.725 20 5 FHBDRO CCS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000467405759 944493543 /nfs/dbraw/zinc/49/35/43/944493543.db2.gz HGKQCFMZDPQBKP-LJQANCHMSA-N 1 0 374.462 3.556 20 5 FHBDRO CC(C)[NH+]1CCC(N(C)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000110459055 944501550 /nfs/dbraw/zinc/50/15/50/944501550.db2.gz LHSVEOVMBBYXPK-UHFFFAOYSA-N 1 0 356.264 3.666 20 5 FHBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000843758058 944543951 /nfs/dbraw/zinc/54/39/51/944543951.db2.gz JJLYUMZROWRFBU-UHFFFAOYSA-N 1 0 371.412 3.568 20 5 FHBDRO C[C@H](c1ccccc1F)N1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000550251862 944566360 /nfs/dbraw/zinc/56/63/60/944566360.db2.gz QHXDYYUHOOZMQD-AUUYWEPGSA-N 1 0 371.412 3.576 20 5 FHBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000518657348 944581093 /nfs/dbraw/zinc/58/10/93/944581093.db2.gz HPLUNBCYQBWMSH-UHFFFAOYSA-N 1 0 354.410 3.877 20 5 FHBDRO CC(C)COc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000426001598 944583389 /nfs/dbraw/zinc/58/33/89/944583389.db2.gz YGJCXRDMSXUZDQ-UHFFFAOYSA-N 1 0 358.442 3.663 20 5 FHBDRO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000311308304 944626248 /nfs/dbraw/zinc/62/62/48/944626248.db2.gz WCOFXRVXILXPPU-HOCLYGCPSA-N 1 0 363.458 3.781 20 5 FHBDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000566701782 944638193 /nfs/dbraw/zinc/63/81/93/944638193.db2.gz JZRLTUMVZVFFFM-XOBRGWDASA-N 1 0 353.422 3.984 20 5 FHBDRO CC1(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[NH+](Cc2ccccc2)CC1 ZINC000162724903 944652257 /nfs/dbraw/zinc/65/22/57/944652257.db2.gz CBHGHGBILMLYTG-UHFFFAOYSA-N 1 0 367.449 3.513 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1CCC(C)(C)CC1 ZINC000438488288 944673678 /nfs/dbraw/zinc/67/36/78/944673678.db2.gz GWDSJXFWUWSDFT-UHFFFAOYSA-N 1 0 363.458 3.833 20 5 FHBDRO CC(=O)c1cc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000383074614 944707887 /nfs/dbraw/zinc/70/78/87/944707887.db2.gz SWTAUCGJJFQWOJ-GOSISDBHSA-N 1 0 367.449 3.756 20 5 FHBDRO C[C@@H]1C[N@@H+](C2CCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC2)CCO1 ZINC000408101257 944708990 /nfs/dbraw/zinc/70/89/90/944708990.db2.gz JGPSDBLFEKMIKB-LLVKDONJSA-N 1 0 374.268 3.591 20 5 FHBDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000506942383 944763653 /nfs/dbraw/zinc/76/36/53/944763653.db2.gz INPDQSBCMWGYBE-UVIMBBFXSA-N 1 0 373.840 3.871 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000506281869 944788328 /nfs/dbraw/zinc/78/83/28/944788328.db2.gz MVKUROAMVQSBBP-WBVHZDCISA-N 1 0 368.437 3.860 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccccc1)C(C)(C)C ZINC000438594674 944819399 /nfs/dbraw/zinc/81/93/99/944819399.db2.gz ZTTBXRCCGPCUMV-UHFFFAOYSA-N 1 0 371.437 3.843 20 5 FHBDRO CCC[N@@H+]1CC[C@H](CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000506993817 944844011 /nfs/dbraw/zinc/84/40/11/944844011.db2.gz ADOXZTZTDPPLGS-MRXNPFEDSA-N 1 0 367.449 3.970 20 5 FHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCOc3c(Br)cccc32)c1 ZINC000500425787 944875246 /nfs/dbraw/zinc/87/52/46/944875246.db2.gz FHPVLRZAOMNBHR-HNNXBMFYSA-N 1 0 363.211 3.971 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H](O)c3c(F)cccc3F)o2)c1 ZINC000123994445 944913200 /nfs/dbraw/zinc/91/32/00/944913200.db2.gz VNNHXUNUTSPBAV-KRWDZBQOSA-N 1 0 374.343 3.956 20 5 FHBDRO COc1cc(C[N@@H+]2CCC[C@H]2Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000506675120 944966759 /nfs/dbraw/zinc/96/67/59/944966759.db2.gz KDNYQBCNHDWICG-KRWDZBQOSA-N 1 0 356.422 3.819 20 5 FHBDRO COc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000511751367 945013896 /nfs/dbraw/zinc/01/38/96/945013896.db2.gz ABPLABIIFOFAAM-UHFFFAOYSA-N 1 0 365.227 3.698 20 5 FHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1Cc2ccccc2N(C)C1 ZINC000437107072 945028868 /nfs/dbraw/zinc/02/88/68/945028868.db2.gz JWSGFQYIGIEQKG-IAGOWNOFSA-N 1 0 353.466 3.814 20 5 FHBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)[N@H+](C)C1CC1 ZINC000110695567 945054116 /nfs/dbraw/zinc/05/41/16/945054116.db2.gz CMXARDAVZIPTBL-CQSZACIVSA-N 1 0 369.421 3.600 20 5 FHBDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@H]1CCCCO1 ZINC000106867041 945418665 /nfs/dbraw/zinc/41/86/65/945418665.db2.gz GBURVVLTBVMLAO-QGZVFWFLSA-N 1 0 363.458 3.513 20 5 FHBDRO CC[C@H](C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000519488682 945460634 /nfs/dbraw/zinc/46/06/34/945460634.db2.gz RXCNQWVYMHQSPN-MAUKXSAKSA-N 1 0 355.438 3.683 20 5 FHBDRO C[C@H](O)[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000507697631 945461249 /nfs/dbraw/zinc/46/12/49/945461249.db2.gz KMDIKMHVPJBVEZ-ZFWWWQNUSA-N 1 0 360.385 3.729 20 5 FHBDRO COc1cc(C[N@@H+]2CC[C@H](COc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000507712635 945485899 /nfs/dbraw/zinc/48/58/99/945485899.db2.gz DKKHMLMSLCVYIZ-HNNXBMFYSA-N 1 0 372.421 3.513 20 5 FHBDRO CC(C)[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[NH+]1CCCCCC1 ZINC000506840018 945497698 /nfs/dbraw/zinc/49/76/98/945497698.db2.gz UFMYCLJFUJBETE-IBGZPJMESA-N 1 0 374.485 3.792 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000519621128 945592897 /nfs/dbraw/zinc/59/28/97/945592897.db2.gz CUOGMLWQRRDVHK-CQSZACIVSA-N 1 0 351.406 3.606 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2c(C)cccc2C1 ZINC000729479827 945702154 /nfs/dbraw/zinc/70/21/54/945702154.db2.gz GCFYDPZCEAHYSL-UHFFFAOYSA-N 1 0 353.422 3.599 20 5 FHBDRO CN(CCC[N@H+](C)Cc1ccco1)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000519773791 945733243 /nfs/dbraw/zinc/73/32/43/945733243.db2.gz KCVSWRQAPURSCV-UHFFFAOYSA-N 1 0 354.410 3.694 20 5 FHBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000454310132 945743877 /nfs/dbraw/zinc/74/38/77/945743877.db2.gz FWTBIKGFUCBRKN-MRXNPFEDSA-N 1 0 368.437 3.581 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000181759768 945746887 /nfs/dbraw/zinc/74/68/87/945746887.db2.gz JHQUQKNPPMAOCW-ZDUSSCGKSA-N 1 0 353.378 3.939 20 5 FHBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000281924906 945940388 /nfs/dbraw/zinc/94/03/88/945940388.db2.gz JVOHZJUYBQAFFS-HNNXBMFYSA-N 1 0 369.421 3.588 20 5 FHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccsc1 ZINC000052877936 946015683 /nfs/dbraw/zinc/01/56/83/946015683.db2.gz XQIRTVMWOAETML-ZDUSSCGKSA-N 1 0 353.469 3.531 20 5 FHBDRO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729482890 946023702 /nfs/dbraw/zinc/02/37/02/946023702.db2.gz DZGOZWUMADACDW-INIZCTEOSA-N 1 0 363.458 3.816 20 5 FHBDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000236871509 946080690 /nfs/dbraw/zinc/08/06/90/946080690.db2.gz ONLWSICZWSPSEJ-BFUOFWGJSA-N 1 0 362.426 3.750 20 5 FHBDRO Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000444236959 946109327 /nfs/dbraw/zinc/10/93/27/946109327.db2.gz IYDICLCDPQRDSE-MOPGFXCFSA-N 1 0 367.449 3.770 20 5 FHBDRO Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000444236962 946109502 /nfs/dbraw/zinc/10/95/02/946109502.db2.gz IYDICLCDPQRDSE-RTBURBONSA-N 1 0 367.449 3.770 20 5 FHBDRO CC(C)c1ccc(C(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000439742336 946138380 /nfs/dbraw/zinc/13/83/80/946138380.db2.gz UBXNBYOCJRHXHP-OALUTQOASA-N 1 0 367.449 3.546 20 5 FHBDRO Cc1cc(F)cc(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000236730804 946229748 /nfs/dbraw/zinc/22/97/48/946229748.db2.gz BRPVFPRKYOZSFN-KRWDZBQOSA-N 1 0 359.401 3.596 20 5 FHBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@](C)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000438490134 946281822 /nfs/dbraw/zinc/28/18/22/946281822.db2.gz KNLWHRUPYALTHN-OAQYLSRUSA-N 1 0 367.449 3.895 20 5 FHBDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000109564748 946339881 /nfs/dbraw/zinc/33/98/81/946339881.db2.gz APOKLOJDPKVUJT-HNNXBMFYSA-N 1 0 373.478 3.607 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]CCc2nn(C)c3ccccc23)cc1[N+](=O)[O-] ZINC000186482081 946379783 /nfs/dbraw/zinc/37/97/83/946379783.db2.gz YHDSSPROJBOPSP-AWEZNQCLSA-N 1 0 368.437 3.774 20 5 FHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC([NH2+]C2CCCC2)CC1 ZINC000111425325 946450769 /nfs/dbraw/zinc/45/07/69/946450769.db2.gz JZCPBDRMIVXDNG-UHFFFAOYSA-N 1 0 366.849 3.777 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@]3(C)CCCC[C@H]3O)o2)c([N+](=O)[O-])c1 ZINC000237429715 946457588 /nfs/dbraw/zinc/45/75/88/946457588.db2.gz AIRLFMKUVVTILF-WOJBJXKFSA-N 1 0 374.437 3.894 20 5 FHBDRO COc1cc(C[NH2+][C@H]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000475153469 946511292 /nfs/dbraw/zinc/51/12/92/946511292.db2.gz NPUSKXHSNLTCBJ-YPMHNXCESA-N 1 0 358.385 3.916 20 5 FHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441395413 946550302 /nfs/dbraw/zinc/55/03/02/946550302.db2.gz MLQQQZSJKVFQJN-OXJNMPFZSA-N 1 0 373.497 3.831 20 5 FHBDRO CC(C)c1ccc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC001126133065 946565810 /nfs/dbraw/zinc/56/58/10/946565810.db2.gz BMQBCQZGRNONGE-INIZCTEOSA-N 1 0 369.465 3.969 20 5 FHBDRO Cc1ccc([C@@H](CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[NH+](C)C)cc1 ZINC000475555156 946639825 /nfs/dbraw/zinc/63/98/25/946639825.db2.gz LCDKNOIGHGCDLF-LJQANCHMSA-N 1 0 370.453 3.944 20 5 FHBDRO CCS[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000112088871 946659598 /nfs/dbraw/zinc/65/95/98/946659598.db2.gz DJTBHCXALFWVGM-UONOGXRCSA-N 1 0 351.472 3.529 20 5 FHBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H]1C ZINC000475194479 946678342 /nfs/dbraw/zinc/67/83/42/946678342.db2.gz QPACKDCEPGXPRS-MNOVXSKESA-N 1 0 374.363 3.560 20 5 FHBDRO COC(=O)COc1ccc(C[N@H+](C)[C@H](C)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000475580875 946746370 /nfs/dbraw/zinc/74/63/70/946746370.db2.gz GSBAALDLMLQGBG-OAHLLOKOSA-N 1 0 372.421 3.648 20 5 FHBDRO Cc1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c(Br)cc1[N+](=O)[O-] ZINC000232651402 946882933 /nfs/dbraw/zinc/88/29/33/946882933.db2.gz SMAOCPOGJAZGQI-LBPRGKRZSA-N 1 0 356.264 3.808 20 5 FHBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000186329501 946927218 /nfs/dbraw/zinc/92/72/18/946927218.db2.gz LHEFUTJYIFGTPL-ROUUACIJSA-N 1 0 373.453 3.976 20 5 FHBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H]1C ZINC000475361235 946952458 /nfs/dbraw/zinc/95/24/58/946952458.db2.gz FSHXZAHSXCTMIA-CXAGYDPISA-N 1 0 374.462 3.954 20 5 FHBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000613860525 946983389 /nfs/dbraw/zinc/98/33/89/946983389.db2.gz MYCBQCLFJUNNRY-LBPRGKRZSA-N 1 0 374.363 3.608 20 5 FHBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)ccc21 ZINC000456267190 947059986 /nfs/dbraw/zinc/05/99/86/947059986.db2.gz ILZFPZHLINGHMN-IBGZPJMESA-N 1 0 364.405 3.877 20 5 FHBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC1(c2ccccc2)CC1 ZINC000444676493 947101023 /nfs/dbraw/zinc/10/10/23/947101023.db2.gz QOICJEOAQJIHBX-OAHLLOKOSA-N 1 0 353.422 3.585 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000444695765 947120254 /nfs/dbraw/zinc/12/02/54/947120254.db2.gz UEZGOYZGRITYAG-UHFFFAOYSA-N 1 0 371.437 3.681 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074448508 947170612 /nfs/dbraw/zinc/17/06/12/947170612.db2.gz JPFDSBDPKVGODD-LJQANCHMSA-N 1 0 367.449 3.640 20 5 FHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000444784666 947226608 /nfs/dbraw/zinc/22/66/08/947226608.db2.gz OKKGWMLPOVVVTQ-QGZVFWFLSA-N 1 0 354.450 3.973 20 5 FHBDRO CC[C@H](Cc1ccccc1)[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000441434113 947237799 /nfs/dbraw/zinc/23/77/99/947237799.db2.gz IXNJGNKVGQVMBP-QGZVFWFLSA-N 1 0 358.438 3.935 20 5 FHBDRO COC1CC[NH+](C2(CNc3c(F)cc([N+](=O)[O-])cc3F)CCCC2)CC1 ZINC000440589629 947335886 /nfs/dbraw/zinc/33/58/86/947335886.db2.gz UPOMWVKBSVSONU-UHFFFAOYSA-N 1 0 369.412 3.709 20 5 FHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000523531473 947340105 /nfs/dbraw/zinc/34/01/05/947340105.db2.gz DTFVYHXIJKAAFJ-GPMSIDNRSA-N 1 0 373.497 3.736 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3ccc4ccccc4c3)CC2)cn1 ZINC000523701610 947527009 /nfs/dbraw/zinc/52/70/09/947527009.db2.gz GHHKTODOARBGGF-UHFFFAOYSA-N 1 0 362.433 3.508 20 5 FHBDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000072838453 947570488 /nfs/dbraw/zinc/57/04/88/947570488.db2.gz LSBYVGKCKREIAS-CABCVRRESA-N 1 0 362.455 3.751 20 5 FHBDRO CCN(CC)[C@H](C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000236894045 947603338 /nfs/dbraw/zinc/60/33/38/947603338.db2.gz JRCFMWXFJBWSKI-LJQANCHMSA-N 1 0 357.454 3.776 20 5 FHBDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000236791747 947897371 /nfs/dbraw/zinc/89/73/71/947897371.db2.gz QCOCREWNGNVJOU-DOTOQJQBSA-N 1 0 363.458 3.768 20 5 FHBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000473988083 947910345 /nfs/dbraw/zinc/91/03/45/947910345.db2.gz JIIBDZFDTSCIQP-YJBOKZPZSA-N 1 0 355.438 3.613 20 5 FHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1C[NH+](C)C ZINC000184652777 948066250 /nfs/dbraw/zinc/06/62/50/948066250.db2.gz PBQFPDRVDUQNCV-KRWDZBQOSA-N 1 0 369.465 3.542 20 5 FHBDRO [NH3+]CCN(Cc1c[nH]nc1-c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000574678577 948167974 /nfs/dbraw/zinc/16/79/74/948167974.db2.gz VAGWAUJKNWOWQX-UHFFFAOYSA-N 1 0 371.828 3.604 20 5 FHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432348783 948186614 /nfs/dbraw/zinc/18/66/14/948186614.db2.gz SZIMECPLVGWZRF-OAGGEKHMSA-N 1 0 354.454 3.985 20 5 FHBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000441535409 948232975 /nfs/dbraw/zinc/23/29/75/948232975.db2.gz PSNUABQHXPTOIW-MRXNPFEDSA-N 1 0 356.422 3.780 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000512063861 948337678 /nfs/dbraw/zinc/33/76/78/948337678.db2.gz YFCUNLCKJBQSNJ-UHFFFAOYSA-N 1 0 373.478 3.607 20 5 FHBDRO CC(C)(C)C[N@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000507788697 948412618 /nfs/dbraw/zinc/41/26/18/948412618.db2.gz OXHCWJOQPVLECW-UHFFFAOYSA-N 1 0 355.438 3.742 20 5 FHBDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000441649198 948454226 /nfs/dbraw/zinc/45/42/26/948454226.db2.gz RGMZYDDWZSRXIK-KRWDZBQOSA-N 1 0 361.442 3.793 20 5 FHBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@]3(CC=CCC3)C2)c([N+](=O)[O-])c1 ZINC000512153762 948568592 /nfs/dbraw/zinc/56/85/92/948568592.db2.gz KWTHOSWWTDBIGM-HXUWFJFHSA-N 1 0 373.453 3.754 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)co2)cc1 ZINC000279251375 948660450 /nfs/dbraw/zinc/66/04/50/948660450.db2.gz LGNCEAFXYKNWBY-KURKYZTESA-N 1 0 369.421 3.687 20 5 FHBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000090113405 948666475 /nfs/dbraw/zinc/66/64/75/948666475.db2.gz OONNBOUMTAGEIP-SJORKVTESA-N 1 0 352.438 3.577 20 5 FHBDRO CC(C)C(=O)NCCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000120413471 948773380 /nfs/dbraw/zinc/77/33/80/948773380.db2.gz TWSIHIXEMVIYRD-UHFFFAOYSA-N 1 0 361.467 3.575 20 5 FHBDRO O=C(c1ccccc1)c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000072089601 210065154 /nfs/dbraw/zinc/06/51/54/210065154.db2.gz GJNNCMSJLFMPSG-GOSISDBHSA-N 1 0 365.433 3.500 20 5 FHBDRO COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)[NH+](C)C ZINC000067948561 211701963 /nfs/dbraw/zinc/70/19/63/211701963.db2.gz QDTWSNLLNVKBAT-LJQANCHMSA-N 1 0 366.421 3.866 20 5 FHBDRO O=[N+]([O-])c1c(NCc2ccccc2C[NH+]2CCCCC2)nc2ccccn21 ZINC000105133742 222365718 /nfs/dbraw/zinc/36/57/18/222365718.db2.gz JIGIQUKOVTZBBW-UHFFFAOYSA-N 1 0 365.437 3.841 20 5 FHBDRO C[C@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC[C@H]1[NH3+] ZINC000568149400 567944582 /nfs/dbraw/zinc/94/45/82/567944582.db2.gz KZKVYKCVHGOUPL-SCLBCKFNSA-N 1 0 371.462 3.555 20 5 FHBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCOC3(CCC3)C2)cc1Br ZINC000602566125 567995597 /nfs/dbraw/zinc/99/55/97/567995597.db2.gz DPWYELBOAQPFDO-SECBINFHSA-N 1 0 361.261 3.610 20 5 FHBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602888027 568006337 /nfs/dbraw/zinc/00/63/37/568006337.db2.gz OPBSSPDMNRYZQW-CQSZACIVSA-N 1 0 352.369 3.667 20 5 FHBDRO CCC[C@H]([NH2+]C[C@@H](O)COc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000481537964 568028604 /nfs/dbraw/zinc/02/86/04/568028604.db2.gz VWZYCWXQCJMRRJ-QUCCMNQESA-N 1 0 358.438 3.774 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1noc2c1CCCC2 ZINC000568446986 568039082 /nfs/dbraw/zinc/03/90/82/568039082.db2.gz XLOUPARTFQRBFB-RHSMWYFYSA-N 1 0 355.438 3.963 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1noc2c1CCCC2 ZINC000568446988 568039087 /nfs/dbraw/zinc/03/90/87/568039087.db2.gz XLOUPARTFQRBFB-YOEHRIQHSA-N 1 0 355.438 3.963 20 5 FHBDRO CCSCC[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000072901161 568056825 /nfs/dbraw/zinc/05/68/25/568056825.db2.gz IAMQHCKCUBIYBG-NSHDSACASA-N 1 0 359.879 3.650 20 5 FHBDRO COc1ccccc1[C@H](CNc1nc(C)ccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000481688461 568089041 /nfs/dbraw/zinc/08/90/41/568089041.db2.gz LFRYAPATHHXCHK-KRWDZBQOSA-N 1 0 356.426 3.556 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)s1 ZINC000291351744 568118561 /nfs/dbraw/zinc/11/85/61/568118561.db2.gz XGZRAYWNUCQVAM-LBPRGKRZSA-N 1 0 368.405 3.773 20 5 FHBDRO Cc1ccc(-c2ncc(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000568918172 568252090 /nfs/dbraw/zinc/25/20/90/568252090.db2.gz VGHMWLWPQKBZII-UHFFFAOYSA-N 1 0 368.462 3.992 20 5 FHBDRO CCC[C@@H]([NH2+][C@@H](CC(=O)NC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000482079204 568254907 /nfs/dbraw/zinc/25/49/07/568254907.db2.gz UEEXVJFAIPPAFW-MOPGFXCFSA-N 1 0 355.438 3.903 20 5 FHBDRO CCC[C@@H]([NH2+][C@H](CC(=O)NC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000482079210 568254914 /nfs/dbraw/zinc/25/49/14/568254914.db2.gz UEEXVJFAIPPAFW-RTBURBONSA-N 1 0 355.438 3.903 20 5 FHBDRO Cc1c(C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000568977222 568257073 /nfs/dbraw/zinc/25/70/73/568257073.db2.gz QTJPCPCBVSEJTM-INIZCTEOSA-N 1 0 368.355 3.615 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CC(=O)NC)c2ccccc2)cc1[N+](=O)[O-] ZINC000482084070 568257785 /nfs/dbraw/zinc/25/77/85/568257785.db2.gz WOZJVFCMMFOEOY-WMLDXEAASA-N 1 0 371.437 3.522 20 5 FHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC2(CCC2)[C@H]1c1ccccc1 ZINC000453031519 568264991 /nfs/dbraw/zinc/26/49/91/568264991.db2.gz YWAUTTYYEWLCQW-YLJYHZDGSA-N 1 0 368.433 3.562 20 5 FHBDRO COc1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc(OC)c1OC ZINC000291718234 568268555 /nfs/dbraw/zinc/26/85/55/568268555.db2.gz MEHGAJBCSVQARJ-UHFFFAOYSA-N 1 0 360.410 3.646 20 5 FHBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(CC)CC ZINC000482129970 568269477 /nfs/dbraw/zinc/26/94/77/568269477.db2.gz CZIOIKKJPPEHNI-CVEARBPZSA-N 1 0 374.441 3.718 20 5 FHBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(CC)CC ZINC000482129972 568269569 /nfs/dbraw/zinc/26/95/69/568269569.db2.gz CZIOIKKJPPEHNI-HZPDHXFCSA-N 1 0 374.441 3.718 20 5 FHBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CCc1ccccc1 ZINC000604435489 568292651 /nfs/dbraw/zinc/29/26/51/568292651.db2.gz KWGXGBJZTGNCNS-UHFFFAOYSA-N 1 0 355.438 3.796 20 5 FHBDRO C[C@H]1[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000291770460 568304504 /nfs/dbraw/zinc/30/45/04/568304504.db2.gz MOYCIVSTPBPCLJ-BBRMVZONSA-N 1 0 373.840 3.641 20 5 FHBDRO CC(C)Cc1ccc([C@H](CNC(=O)c2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000569519392 568404638 /nfs/dbraw/zinc/40/46/38/568404638.db2.gz VTIVINWYKFHTJT-FQEVSTJZSA-N 1 0 369.465 3.826 20 5 FHBDRO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CC2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000570719907 568503553 /nfs/dbraw/zinc/50/35/53/568503553.db2.gz VIZNOHJXRGDYOJ-WNQHEHQFSA-N 1 0 354.454 3.834 20 5 FHBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[NH+](C4CCCC4)CC3)ccc21 ZINC001165029216 721857461 /nfs/dbraw/zinc/85/74/61/721857461.db2.gz VTIDCRRYHHZSEH-UHFFFAOYSA-N 1 0 360.845 3.861 20 5 FHBDRO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000247942588 937114037 /nfs/dbraw/zinc/11/40/37/937114037.db2.gz DDPGXNHZDZPQFH-TYCQWZJGSA-N 1 0 368.481 3.941 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000079556586 937133462 /nfs/dbraw/zinc/13/34/62/937133462.db2.gz DSKJYRQMZDZCEX-SJLPKXTDSA-N 1 0 367.449 3.686 20 5 FHBDRO COc1ccccc1N1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000579733125 927232213 /nfs/dbraw/zinc/23/22/13/927232213.db2.gz FMXZUQWQKISRNB-SFHVURJKSA-N 1 0 367.449 3.849 20 5 FHBDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)cc1[N+](=O)[O-] ZINC000274641110 927300360 /nfs/dbraw/zinc/30/03/60/927300360.db2.gz KBLLWIYZXUEGME-UHFFFAOYSA-N 1 0 358.394 3.538 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000471136925 927725729 /nfs/dbraw/zinc/72/57/29/927725729.db2.gz OIHIRSVULZFOMU-UZLBHIALSA-N 1 0 369.465 3.941 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000471136923 927726220 /nfs/dbraw/zinc/72/62/20/927726220.db2.gz OIHIRSVULZFOMU-OXQOHEQNSA-N 1 0 369.465 3.941 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000430203835 928001969 /nfs/dbraw/zinc/00/19/69/928001969.db2.gz JJGUYZPJHUEQEO-OXQOHEQNSA-N 1 0 369.465 3.604 20 5 FHBDRO C[C@H]1C[C@H](CCNC(=O)c2ccc([N+](=O)[O-])s2)C[N@@H+]1Cc1ccccc1 ZINC000510097870 928232371 /nfs/dbraw/zinc/23/23/71/928232371.db2.gz IQDNTKPJRIILMN-HOCLYGCPSA-N 1 0 373.478 3.687 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000430217872 928258264 /nfs/dbraw/zinc/25/82/64/928258264.db2.gz LUFMIBWDZGVGEW-CYBMUJFWSA-N 1 0 369.421 3.803 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]([S@@](=O)CC)C2)cc1[N+](=O)[O-] ZINC000154153949 928265295 /nfs/dbraw/zinc/26/52/95/928265295.db2.gz YWEQGWQNEFUFHQ-VRBYOYSTSA-N 1 0 368.499 3.724 20 5 FHBDRO [NH3+]CCC1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000579847814 928472640 /nfs/dbraw/zinc/47/26/40/928472640.db2.gz OKUATHLAKCYBRC-UHFFFAOYSA-N 1 0 368.437 3.539 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)c2c1 ZINC000583227610 937257846 /nfs/dbraw/zinc/25/78/46/937257846.db2.gz WIKDAQJVNIOEDM-KFKAGJAMSA-N 1 0 355.438 3.556 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)c2c1 ZINC000583227611 937257871 /nfs/dbraw/zinc/25/78/71/937257871.db2.gz WIKDAQJVNIOEDM-LZQZEXGQSA-N 1 0 355.438 3.556 20 5 FHBDRO CC(C)[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc2[nH]c(=O)oc2c1 ZINC000547726424 929000726 /nfs/dbraw/zinc/00/07/26/929000726.db2.gz PPUWVFGMOQFLPC-SFHVURJKSA-N 1 0 355.394 3.971 20 5 FHBDRO C[C@H](C[C@@H](O)c1ccccc1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000120596389 929068472 /nfs/dbraw/zinc/06/84/72/929068472.db2.gz UICKXRFKUXRXFG-IIBYNOLFSA-N 1 0 369.465 3.665 20 5 FHBDRO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)cn2)n1 ZINC000162802821 937298572 /nfs/dbraw/zinc/29/85/72/937298572.db2.gz JVYDLIPAHNBELB-INIZCTEOSA-N 1 0 365.437 3.952 20 5 FHBDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000547738957 929163767 /nfs/dbraw/zinc/16/37/67/929163767.db2.gz XAAKEZCNHUKRAG-HNNXBMFYSA-N 1 0 350.422 3.982 20 5 FHBDRO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)cn2)n1 ZINC000162829971 937318462 /nfs/dbraw/zinc/31/84/62/937318462.db2.gz PWGHFWYBFHARQY-OAHLLOKOSA-N 1 0 351.410 3.643 20 5 FHBDRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000178847600 937322044 /nfs/dbraw/zinc/32/20/44/937322044.db2.gz MGPCJKDLLQGSTC-AWEZNQCLSA-N 1 0 368.437 3.538 20 5 FHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430296406 929398667 /nfs/dbraw/zinc/39/86/67/929398667.db2.gz JBTIHIORUVJLNY-RDJZCZTQSA-N 1 0 353.422 3.641 20 5 FHBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)n1 ZINC000134855147 929406327 /nfs/dbraw/zinc/40/63/27/929406327.db2.gz QSGSQRQXYAOQJR-UHFFFAOYSA-N 1 0 366.874 3.701 20 5 FHBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000175816896 929630563 /nfs/dbraw/zinc/63/05/63/929630563.db2.gz BDBZZSRUVRVNFS-NVXWUHKLSA-N 1 0 362.451 3.623 20 5 FHBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000023676669 929692151 /nfs/dbraw/zinc/69/21/51/929692151.db2.gz CXTJGLVAQXUNNJ-YJBOKZPZSA-N 1 0 366.417 3.839 20 5 FHBDRO CC(C)(C)OC(=O)NCc1cc(Nc2cccc([N+](=O)[O-])c2F)ccn1 ZINC001210381938 929724585 /nfs/dbraw/zinc/72/45/85/929724585.db2.gz SHHRVWKNKBCKSK-UHFFFAOYSA-N 1 0 362.361 3.897 20 5 FHBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000109851569 929731776 /nfs/dbraw/zinc/73/17/76/929731776.db2.gz FJBKCXLYLHAAIG-UHFFFAOYSA-N 1 0 371.462 3.704 20 5 FHBDRO Cc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000610004520 929772117 /nfs/dbraw/zinc/77/21/17/929772117.db2.gz PXFXXBZDRSLVOJ-PKOBYXMFSA-N 1 0 374.437 3.853 20 5 FHBDRO C[NH+](C)C1(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCCC1 ZINC000275708780 929947948 /nfs/dbraw/zinc/94/79/48/929947948.db2.gz RVQILJBLODAKKB-UHFFFAOYSA-N 1 0 363.461 3.698 20 5 FHBDRO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1[N+](=O)[O-] ZINC000175851074 929968133 /nfs/dbraw/zinc/96/81/33/929968133.db2.gz LLQCAZKZUXKZGQ-HOCLYGCPSA-N 1 0 362.451 3.753 20 5 FHBDRO C[C@H](NC(=O)Nc1ccccc1CC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000275716814 929978626 /nfs/dbraw/zinc/97/86/26/929978626.db2.gz VIXIQPMJRXCLQM-AWEZNQCLSA-N 1 0 356.426 3.582 20 5 FHBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275733687 930069873 /nfs/dbraw/zinc/06/98/73/930069873.db2.gz YCPSTSVBVAMPGM-JKSUJKDBSA-N 1 0 363.461 3.696 20 5 FHBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N1c2ccccc2C[C@H]1C ZINC000583390919 937398173 /nfs/dbraw/zinc/39/81/73/937398173.db2.gz FGOLROAQOLUINA-GLJUWKHASA-N 1 0 365.433 3.538 20 5 FHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000560910620 930240744 /nfs/dbraw/zinc/24/07/44/930240744.db2.gz KNIUNBVOQPLQJM-RYUDHWBXSA-N 1 0 363.364 3.941 20 5 FHBDRO CCc1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000471539399 930246379 /nfs/dbraw/zinc/24/63/79/930246379.db2.gz KWHGODVGZADNJS-IFXJQAMLSA-N 1 0 355.438 3.578 20 5 FHBDRO C[C@H]([NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000610420569 930494618 /nfs/dbraw/zinc/49/46/18/930494618.db2.gz XTOTWQKIBLSMTM-JCURWCKSSA-N 1 0 368.355 3.780 20 5 FHBDRO C[C@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000379651933 930497930 /nfs/dbraw/zinc/49/79/30/930497930.db2.gz VKWQTRBZGVPKQK-PXNSSMCTSA-N 1 0 353.466 3.780 20 5 FHBDRO C[C@H]([NH2+][C@H](Cc1nccn1C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610422085 930498570 /nfs/dbraw/zinc/49/85/70/930498570.db2.gz XEULFMMEMJFTLS-HNAYVOBHSA-N 1 0 350.422 3.963 20 5 FHBDRO CC(C)(C)[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000064933048 930502828 /nfs/dbraw/zinc/50/28/28/930502828.db2.gz VVWFRBRBUJUDBW-FQEVSTJZSA-N 1 0 367.449 3.861 20 5 FHBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC001167387463 930593501 /nfs/dbraw/zinc/59/35/01/930593501.db2.gz SQZAZPHMGGHBGT-MRXNPFEDSA-N 1 0 358.438 3.935 20 5 FHBDRO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000177872263 931397279 /nfs/dbraw/zinc/39/72/79/931397279.db2.gz UCRPHASUCHLTKQ-TZMCWYRMSA-N 1 0 359.451 3.643 20 5 FHBDRO CC(C)c1ccc(C[NH2+]CCc2nn(C)c3ccccc23)cc1[N+](=O)[O-] ZINC000187393797 931603156 /nfs/dbraw/zinc/60/31/56/931603156.db2.gz HUZFPNYSVXZZAJ-UHFFFAOYSA-N 1 0 352.438 3.937 20 5 FHBDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000096583247 931620775 /nfs/dbraw/zinc/62/07/75/931620775.db2.gz OTFQSIZJSKSLSF-UHFFFAOYSA-N 1 0 357.410 3.698 20 5 FHBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H]2c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000610505304 932015965 /nfs/dbraw/zinc/01/59/65/932015965.db2.gz GGSVIAMMQYCXEP-SFHVURJKSA-N 1 0 357.385 3.818 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505423 932016048 /nfs/dbraw/zinc/01/60/48/932016048.db2.gz KXKFEGSBFHRRCN-SFHVURJKSA-N 1 0 357.385 3.818 20 5 FHBDRO CC(C)OC1CCC([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000090771470 932071705 /nfs/dbraw/zinc/07/17/05/932071705.db2.gz KOFOJVHNWABZKD-KSTDHSDQSA-N 1 0 363.458 3.638 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCc1nc(-c2ccccc2)no1)C1CC1 ZINC000135235552 932085960 /nfs/dbraw/zinc/08/59/60/932085960.db2.gz BFPUGHFKTXTHIP-UHFFFAOYSA-N 1 0 364.405 3.852 20 5 FHBDRO CN(C(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000135236537 932086291 /nfs/dbraw/zinc/08/62/91/932086291.db2.gz KRHDMNRXYWYSBK-UHFFFAOYSA-N 1 0 353.422 3.612 20 5 FHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000581456160 932090156 /nfs/dbraw/zinc/09/01/56/932090156.db2.gz SHWNALZQUFYSCG-BZPDREMPSA-N 1 0 371.437 3.894 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000276438024 932421189 /nfs/dbraw/zinc/42/11/89/932421189.db2.gz QXKVHUHMKJLGQM-UHFFFAOYSA-N 1 0 362.474 3.797 20 5 FHBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000477516199 932665628 /nfs/dbraw/zinc/66/56/28/932665628.db2.gz YJLTXELAUISNLX-HNNXBMFYSA-N 1 0 356.378 3.539 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000477612526 932732451 /nfs/dbraw/zinc/73/24/51/932732451.db2.gz VUVHLYWJIRNOGO-YRGRVCCFSA-N 1 0 367.877 3.653 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000178173837 932756427 /nfs/dbraw/zinc/75/64/27/932756427.db2.gz VOYIPHFMQVKEDU-IYBDPMFKSA-N 1 0 370.453 3.520 20 5 FHBDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001167487425 932849931 /nfs/dbraw/zinc/84/99/31/932849931.db2.gz LXSWMKFFXKYXNH-GHMZBOCLSA-N 1 0 350.806 3.919 20 5 FHBDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000471803358 932974281 /nfs/dbraw/zinc/97/42/81/932974281.db2.gz GUHWYHCHUYCQOV-GXTWGEPZSA-N 1 0 362.813 3.996 20 5 FHBDRO Cc1sc(C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000510526694 933187018 /nfs/dbraw/zinc/18/70/18/933187018.db2.gz UFJYUFNACBKNRR-SJKOYZFVSA-N 1 0 361.467 3.694 20 5 FHBDRO CN(C(=O)[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000430879220 933357714 /nfs/dbraw/zinc/35/77/14/933357714.db2.gz MXWBXLVXWVZGDG-KOEDOTQGSA-N 1 0 365.433 3.593 20 5 FHBDRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])CC3 ZINC000548394908 933372482 /nfs/dbraw/zinc/37/24/82/933372482.db2.gz FZMZWWSNMKYPCJ-OAHLLOKOSA-N 1 0 365.433 3.774 20 5 FHBDRO CCc1ccc(C(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000471885492 933482343 /nfs/dbraw/zinc/48/23/43/933482343.db2.gz PXSOYEGNVHFLLS-UHFFFAOYSA-N 1 0 369.465 3.881 20 5 FHBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1)OCCO2 ZINC000610613338 933535045 /nfs/dbraw/zinc/53/50/45/933535045.db2.gz WXXOBGLKJMZPRS-WCQYABFASA-N 1 0 374.359 3.824 20 5 FHBDRO CC[NH+](CC)Cc1ccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000610624188 933544838 /nfs/dbraw/zinc/54/48/38/933544838.db2.gz GWAZWPIQGTZBNW-UHFFFAOYSA-N 1 0 359.426 3.695 20 5 FHBDRO O=[N+]([O-])c1ccc2oc(C[N@H+](CCc3ccccc3)[C@H]3CCOC3)nc2c1 ZINC000610619443 933547763 /nfs/dbraw/zinc/54/77/63/933547763.db2.gz QILOKRRVYFAVFE-KRWDZBQOSA-N 1 0 367.405 3.570 20 5 FHBDRO CCc1ccc(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000471912604 933697037 /nfs/dbraw/zinc/69/70/37/933697037.db2.gz SKFWYXNQCFXDDY-UHFFFAOYSA-N 1 0 371.437 3.740 20 5 FHBDRO C[NH+]1CCC(N(C(=O)CCc2cccc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000610666394 933700045 /nfs/dbraw/zinc/70/00/45/933700045.db2.gz IEGYIAZGZXWAKQ-UHFFFAOYSA-N 1 0 367.449 3.655 20 5 FHBDRO C[C@](CO)(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)Cc1ccccc1 ZINC000477858773 933808591 /nfs/dbraw/zinc/80/85/91/933808591.db2.gz MLZJLUSOXYNPHN-IFMALSPDSA-N 1 0 368.477 3.747 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(OCc3ccc(F)cc3)CC2)cc1 ZINC000091885550 933910530 /nfs/dbraw/zinc/91/05/30/933910530.db2.gz YFNNIIFTYUAIDJ-UHFFFAOYSA-N 1 0 358.413 3.958 20 5 FHBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000247527472 934089144 /nfs/dbraw/zinc/08/91/44/934089144.db2.gz XERCSTCSPFFCAU-CABCVRRESA-N 1 0 374.510 3.928 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cnn(CC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000535778317 934367805 /nfs/dbraw/zinc/36/78/05/934367805.db2.gz ZHBLMDUSGSULOP-NSHDSACASA-N 1 0 372.347 3.603 20 5 FHBDRO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000610804510 934440155 /nfs/dbraw/zinc/44/01/55/934440155.db2.gz UXOMYWOVLMQCEG-IAGOWNOFSA-N 1 0 358.438 3.611 20 5 FHBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000247638599 934494771 /nfs/dbraw/zinc/49/47/71/934494771.db2.gz VLGGXDCQCXRFNL-UOIKSKOESA-N 1 0 373.478 3.543 20 5 FHBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(COc3ccccc3)CC2)cc1 ZINC000065223146 934734643 /nfs/dbraw/zinc/73/46/43/934734643.db2.gz QNDYOFLVPBGRCY-UHFFFAOYSA-N 1 0 356.422 3.765 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000611555689 934802734 /nfs/dbraw/zinc/80/27/34/934802734.db2.gz OONHLFJPECLJTB-AWEZNQCLSA-N 1 0 365.499 3.700 20 5 FHBDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000119461044 934817130 /nfs/dbraw/zinc/81/71/30/934817130.db2.gz PGYYHNGMHGWJPP-AWEZNQCLSA-N 1 0 371.466 3.916 20 5 FHBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000156791315 934946528 /nfs/dbraw/zinc/94/65/28/934946528.db2.gz ZUATUJMZFZDITO-UHFFFAOYSA-N 1 0 353.422 3.680 20 5 FHBDRO Cc1ccc(C(=O)C2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000065535812 934961501 /nfs/dbraw/zinc/96/15/01/934961501.db2.gz NVSMJWMPCPPABS-UHFFFAOYSA-N 1 0 368.433 3.877 20 5 FHBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000051403054 935178145 /nfs/dbraw/zinc/17/81/45/935178145.db2.gz BMGSIYFABBKKRJ-UHFFFAOYSA-N 1 0 360.458 3.715 20 5 FHBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cccc(Br)c1 ZINC000551229406 935224063 /nfs/dbraw/zinc/22/40/63/935224063.db2.gz XCQOFXJPYNIKTH-UHFFFAOYSA-N 1 0 365.227 3.868 20 5 FHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000551274216 935244481 /nfs/dbraw/zinc/24/44/81/935244481.db2.gz CSQKAQHQIPJIRJ-ALKREAHSSA-N 1 0 353.422 3.705 20 5 FHBDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000551419498 935276125 /nfs/dbraw/zinc/27/61/25/935276125.db2.gz WVIUMGSEXBLMPW-RVKKMQEKSA-N 1 0 356.422 3.666 20 5 FHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000439921221 945091705 /nfs/dbraw/zinc/09/17/05/945091705.db2.gz YOYYMXRKEANQNL-BBRMVZONSA-N 1 0 372.400 3.691 20 5 FHBDRO Cc1c(NC(=O)CC[N@@H+]2CCC=C(c3ccco3)C2)cccc1[N+](=O)[O-] ZINC000511105863 935583281 /nfs/dbraw/zinc/58/32/81/935583281.db2.gz GMVBFMNCFVRMSB-UHFFFAOYSA-N 1 0 355.394 3.614 20 5 FHBDRO C[C@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000158132422 935588467 /nfs/dbraw/zinc/58/84/67/935588467.db2.gz MNGJMYBUVPIAGY-YVEFUNNKSA-N 1 0 364.492 3.842 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H]4[NH2+]CC[C@H]4C3)o2)c(Cl)c1 ZINC000427130930 945110738 /nfs/dbraw/zinc/11/07/38/945110738.db2.gz MKWSKWFAZKZYBE-YVEFUNNKSA-N 1 0 361.829 3.692 20 5 FHBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000178564702 935608156 /nfs/dbraw/zinc/60/81/56/935608156.db2.gz BKBFQPSPNWZSNM-BDJLRTHQSA-N 1 0 365.227 3.742 20 5 FHBDRO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000478510595 935639036 /nfs/dbraw/zinc/63/90/36/935639036.db2.gz YRNCGPGDFHVHCB-CYBMUJFWSA-N 1 0 357.410 3.721 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000562045916 935705513 /nfs/dbraw/zinc/70/55/13/935705513.db2.gz KDSVBPBTQDGQFV-LJQANCHMSA-N 1 0 367.449 3.631 20 5 FHBDRO C[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1cnn(CC2CCC2)c1 ZINC000934560353 935886564 /nfs/dbraw/zinc/88/65/64/935886564.db2.gz WYUXDIWQSGFAJX-NSHDSACASA-N 1 0 350.369 3.720 20 5 FHBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000582631043 935892231 /nfs/dbraw/zinc/89/22/31/935892231.db2.gz CPPXBJIFUDJDPV-UHFFFAOYSA-N 1 0 365.499 3.655 20 5 FHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1 ZINC000479890606 935912105 /nfs/dbraw/zinc/91/21/05/935912105.db2.gz VSLIMKPRDOUCQR-AWEZNQCLSA-N 1 0 365.355 3.982 20 5 FHBDRO O=[N+]([O-])c1ccc2ncnc(N3CCC[N@H+](CC4CCCCC4)CC3)c2c1 ZINC000611707311 935949036 /nfs/dbraw/zinc/94/90/36/935949036.db2.gz FLQZWNFDGBEDQO-UHFFFAOYSA-N 1 0 369.469 3.630 20 5 FHBDRO COc1cc(C[N@H+]2CC=CCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000611521149 935976682 /nfs/dbraw/zinc/97/66/82/935976682.db2.gz HIVOCSVNZSAYOF-UHFFFAOYSA-N 1 0 354.406 3.944 20 5 FHBDRO O=[N+]([O-])c1ccc2ncnc(Nc3cccc(CC[NH+]4CCCC4)c3)c2c1 ZINC000611711987 936031652 /nfs/dbraw/zinc/03/16/52/936031652.db2.gz DEUYDWSAMPHWBK-UHFFFAOYSA-N 1 0 363.421 3.920 20 5 FHBDRO [NH3+]CCN(Cc1cc(Cl)cc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC000582753033 936074590 /nfs/dbraw/zinc/07/45/90/936074590.db2.gz NMLHNIHSASKIOZ-UHFFFAOYSA-N 1 0 356.813 3.762 20 5 FHBDRO C[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611713909 936076000 /nfs/dbraw/zinc/07/60/00/936076000.db2.gz LGZQLGOLEXVYSL-ZIAGYGMSSA-N 1 0 355.442 3.603 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000178683246 936198948 /nfs/dbraw/zinc/19/89/48/936198948.db2.gz MAPJTGXFHSWEQB-JKSUJKDBSA-N 1 0 355.438 3.601 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000178683936 936204991 /nfs/dbraw/zinc/20/49/91/936204991.db2.gz TUWNSXGSCHWOPO-SOUVJXGZSA-N 1 0 373.428 3.959 20 5 FHBDRO Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178684270 936205677 /nfs/dbraw/zinc/20/56/77/936205677.db2.gz IJAZYVDFZGFLLV-JKSUJKDBSA-N 1 0 355.438 3.567 20 5 FHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000124117202 945153346 /nfs/dbraw/zinc/15/33/46/945153346.db2.gz PFOPRCDGFQZTBG-NEPJUHHUSA-N 1 0 366.414 3.549 20 5 FHBDRO C[C@@]1(O)CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000583456608 938261089 /nfs/dbraw/zinc/26/10/89/938261089.db2.gz NZTCETDFFXVZBK-GOSISDBHSA-N 1 0 362.813 3.997 20 5 FHBDRO Cc1c([C@@H](C)[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)cccc1[N+](=O)[O-] ZINC000161811320 938343141 /nfs/dbraw/zinc/34/31/41/938343141.db2.gz SWCBMHJCEOOLRB-CJNGLKHVSA-N 1 0 363.458 3.857 20 5 FHBDRO C[C@H](C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000583787049 938408507 /nfs/dbraw/zinc/40/85/07/938408507.db2.gz YOLLNAGSLIFXNE-CYJAXWMASA-N 1 0 359.470 3.562 20 5 FHBDRO Cc1cc(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)ncc1[N+](=O)[O-] ZINC000080598120 938514489 /nfs/dbraw/zinc/51/44/89/938514489.db2.gz LZTKMJCLQASQNA-IYBDPMFKSA-N 1 0 370.453 3.520 20 5 FHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(NC(=O)c2ccccc2F)CC1 ZINC000052725906 938524782 /nfs/dbraw/zinc/52/47/82/938524782.db2.gz IQUUHHNQEUUYJA-CQSZACIVSA-N 1 0 371.412 3.689 20 5 FHBDRO CC1(C)c2ccccc2CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000584040692 938566758 /nfs/dbraw/zinc/56/67/58/938566758.db2.gz VSYGKJLVORXRBV-UHFFFAOYSA-N 1 0 353.422 3.717 20 5 FHBDRO [NH3+]CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000584239103 938655544 /nfs/dbraw/zinc/65/55/44/938655544.db2.gz SACUTPUXNJNIHU-UHFFFAOYSA-N 1 0 369.421 3.588 20 5 FHBDRO Cc1cc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000074746839 938707705 /nfs/dbraw/zinc/70/77/05/938707705.db2.gz URZUGJAYGPAHTL-UHFFFAOYSA-N 1 0 354.454 3.647 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCN1CCc2ccccc2C1)C1CC1 ZINC000480256792 938777429 /nfs/dbraw/zinc/77/74/29/938777429.db2.gz DSKOQYKSMJZLKM-OAQYLSRUSA-N 1 0 365.477 3.564 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000077523891 938802712 /nfs/dbraw/zinc/80/27/12/938802712.db2.gz YUFKHPKIFDKTSQ-MRXNPFEDSA-N 1 0 374.485 3.507 20 5 FHBDRO Cc1c(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)cccc1[N+](=O)[O-] ZINC000516757145 945207848 /nfs/dbraw/zinc/20/78/48/945207848.db2.gz SLVDVGHPAIBIDI-UHFFFAOYSA-N 1 0 354.454 3.816 20 5 FHBDRO Cc1c(C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)cccc1[N+](=O)[O-] ZINC000480448628 938942341 /nfs/dbraw/zinc/94/23/41/938942341.db2.gz YELPJYMQUNFMJD-UHFFFAOYSA-N 1 0 358.348 3.861 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H]3CCCC[C@H]3n3cccn3)co2)cc1 ZINC000128260667 938968344 /nfs/dbraw/zinc/96/83/44/938968344.db2.gz WKBXCHCUQQJAJD-QZTJIDSGSA-N 1 0 367.409 3.720 20 5 FHBDRO C[NH2+]C1CCN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)CC1 ZINC000179138162 938978934 /nfs/dbraw/zinc/97/89/34/938978934.db2.gz YPWTWPZXTZZKRA-UHFFFAOYSA-N 1 0 365.499 3.557 20 5 FHBDRO Cc1cc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611928071 938991221 /nfs/dbraw/zinc/99/12/21/938991221.db2.gz HNEQBJIAJVCZBN-BONVTDFDSA-N 1 0 355.316 3.607 20 5 FHBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1cccc(F)c1 ZINC000472351503 939014424 /nfs/dbraw/zinc/01/44/24/939014424.db2.gz SQDWFAGQFRISGH-LXGCGDOSSA-N 1 0 374.412 3.557 20 5 FHBDRO CSc1cccc(C(=O)NCCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000188182383 939027939 /nfs/dbraw/zinc/02/79/39/939027939.db2.gz ZSFUBIGVPWDXNZ-UHFFFAOYSA-N 1 0 353.488 3.555 20 5 FHBDRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(C)s1 ZINC000179373036 939098364 /nfs/dbraw/zinc/09/83/64/939098364.db2.gz FGLXEEQRVKZBGU-SJKOYZFVSA-N 1 0 359.451 3.729 20 5 FHBDRO COc1ccc([C@H]([NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])C(C)C)cc1 ZINC000892469790 939220015 /nfs/dbraw/zinc/22/00/15/939220015.db2.gz XAOFYTHEACLKKT-QGZVFWFLSA-N 1 0 360.410 3.805 20 5 FHBDRO Cc1n[nH]c(CC[NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000507442863 945238841 /nfs/dbraw/zinc/23/88/41/945238841.db2.gz PBGKPHKEPBBHGT-LLVKDONJSA-N 1 0 357.439 3.643 20 5 FHBDRO COc1cc(C)c([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)cc1OC ZINC000179622803 939895700 /nfs/dbraw/zinc/89/57/00/939895700.db2.gz NFWIWUXFZCXTFB-AWEZNQCLSA-N 1 0 360.410 3.650 20 5 FHBDRO COc1ccc(-c2ccc(CN[C@H](C)C[N@H+](C)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000584320792 939904915 /nfs/dbraw/zinc/90/49/15/939904915.db2.gz MOTYOLZRWLQYLP-CQSZACIVSA-N 1 0 361.442 3.682 20 5 FHBDRO Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000235984901 939908173 /nfs/dbraw/zinc/90/81/73/939908173.db2.gz NOFRWKGIONMRDO-NWDGAFQWSA-N 1 0 354.248 3.704 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000179671985 939913547 /nfs/dbraw/zinc/91/35/47/939913547.db2.gz DVFNZPIBNTWWRO-OAHLLOKOSA-N 1 0 371.437 3.980 20 5 FHBDRO CSc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000507504974 945285297 /nfs/dbraw/zinc/28/52/97/945285297.db2.gz DCYNIOLQTHCRMI-CHWSQXEVSA-N 1 0 359.451 3.995 20 5 FHBDRO Cc1cc(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)ncc1[N+](=O)[O-] ZINC000074751650 939960923 /nfs/dbraw/zinc/96/09/23/939960923.db2.gz XFDMLXIZHHETSR-MRXNPFEDSA-N 1 0 370.453 3.610 20 5 FHBDRO CCNc1ccc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1[N+](=O)[O-] ZINC000411050248 939990844 /nfs/dbraw/zinc/99/08/44/939990844.db2.gz QPBYTLAHBDKGMP-GOSISDBHSA-N 1 0 368.437 3.828 20 5 FHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000364815953 940004413 /nfs/dbraw/zinc/00/44/13/940004413.db2.gz DURWYIUTBFIRID-OXQOHEQNSA-N 1 0 367.449 3.577 20 5 FHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000364822558 940006474 /nfs/dbraw/zinc/00/64/74/940006474.db2.gz XZNZMGJWPLOYET-RHSMWYFYSA-N 1 0 373.478 3.639 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](C)c1cccs1 ZINC000411169698 940010723 /nfs/dbraw/zinc/01/07/23/940010723.db2.gz DTFGDJPHZBEJMT-GFCCVEGCSA-N 1 0 363.439 3.687 20 5 FHBDRO COc1ccc(NC(=O)CC[N@@H+]2CCc3ccccc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411250926 940022303 /nfs/dbraw/zinc/02/23/03/940022303.db2.gz GTNMNBWHHVWVOM-AWEZNQCLSA-N 1 0 369.421 3.551 20 5 FHBDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000158935291 940114849 /nfs/dbraw/zinc/11/48/49/940114849.db2.gz RFRFXPPYVOOGAR-GOEBONIOSA-N 1 0 371.437 3.542 20 5 FHBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000612530861 940127071 /nfs/dbraw/zinc/12/70/71/940127071.db2.gz WSDWQROWVYLUPY-ZKTNFTSUSA-N 1 0 353.378 3.779 20 5 FHBDRO CO[C@](C)([C@H](C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000411979494 940170350 /nfs/dbraw/zinc/17/03/50/940170350.db2.gz ZXOHZCHTIYGOGW-ORAYPTAESA-N 1 0 359.426 3.586 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000411999966 940176127 /nfs/dbraw/zinc/17/61/27/940176127.db2.gz NKYRNJBWVGSSHZ-FQEVSTJZSA-N 1 0 352.434 3.991 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H](c3ncc[nH]3)c3ccccc3)c2c1 ZINC000584493487 940207335 /nfs/dbraw/zinc/20/73/35/940207335.db2.gz XIGMDKHAOMRSBV-IBGZPJMESA-N 1 0 361.405 3.721 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000124824786 945322287 /nfs/dbraw/zinc/32/22/87/945322287.db2.gz CNCSSLHSWDPZDX-CQSZACIVSA-N 1 0 357.410 3.591 20 5 FHBDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000580602025 940482069 /nfs/dbraw/zinc/48/20/69/940482069.db2.gz ZMPHSBQYXSGUAR-GOEBONIOSA-N 1 0 371.412 3.941 20 5 FHBDRO CC(C)OCc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000580814102 940486172 /nfs/dbraw/zinc/48/61/72/940486172.db2.gz UICQXHPTFNNLGU-RTBURBONSA-N 1 0 372.469 3.990 20 5 FHBDRO C[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000581088049 940493377 /nfs/dbraw/zinc/49/33/77/940493377.db2.gz JANHTEMGNRZHIC-OAHLLOKOSA-N 1 0 373.497 3.839 20 5 FHBDRO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000582208732 940654324 /nfs/dbraw/zinc/65/43/24/940654324.db2.gz KEKWDELPCNRQDF-JWTNVVGKSA-N 1 0 355.438 3.912 20 5 FHBDRO COc1ccc(OCC[N@H+](C)[C@@H](C)c2sc(C)nc2C)c([N+](=O)[O-])c1 ZINC000173712619 940662399 /nfs/dbraw/zinc/66/23/99/940662399.db2.gz SKOQRLUXNQGUNB-LBPRGKRZSA-N 1 0 365.455 3.749 20 5 FHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)[C@H](C)c1ccccc1 ZINC000613390060 940662497 /nfs/dbraw/zinc/66/24/97/940662497.db2.gz VWCPBGQBYXJBHY-BEFAXECRSA-N 1 0 358.438 3.636 20 5 FHBDRO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCC[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000414201499 940754525 /nfs/dbraw/zinc/75/45/25/940754525.db2.gz SOEFKQHGDBPMAK-NZSAHSFTSA-N 1 0 354.454 3.834 20 5 FHBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000170650825 940764183 /nfs/dbraw/zinc/76/41/83/940764183.db2.gz IPDBPRBQCOAPHP-UHFFFAOYSA-N 1 0 359.401 3.689 20 5 FHBDRO C[C@@]1(O)CC[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000180183940 940782282 /nfs/dbraw/zinc/78/22/82/940782282.db2.gz IGYLRKZPEZOIPI-GOSISDBHSA-N 1 0 362.813 3.997 20 5 FHBDRO CC[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000414257066 940845037 /nfs/dbraw/zinc/84/50/37/940845037.db2.gz LLQRASMGDWJDAY-IUODEOHRSA-N 1 0 370.375 3.986 20 5 FHBDRO C[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000414274706 940883103 /nfs/dbraw/zinc/88/31/03/940883103.db2.gz VJAQKHXYVYFFSN-SMDDNHRTSA-N 1 0 356.348 3.596 20 5 FHBDRO CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180401168 940999604 /nfs/dbraw/zinc/99/96/04/940999604.db2.gz RULTWSQYIDIBOP-MRXNPFEDSA-N 1 0 355.438 3.683 20 5 FHBDRO C[C@@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000180417908 941004681 /nfs/dbraw/zinc/00/46/81/941004681.db2.gz SZCOZUCOGWNZPW-VLIAUNLRSA-N 1 0 353.422 3.513 20 5 FHBDRO Cc1ccc(CN(C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000180422786 941010312 /nfs/dbraw/zinc/01/03/12/941010312.db2.gz IATXFWWGFDCHRT-MRXNPFEDSA-N 1 0 367.449 3.745 20 5 FHBDRO C[C@H]([NH2+]C[C@H](O)c1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000180434049 941015364 /nfs/dbraw/zinc/01/53/64/941015364.db2.gz ZIDJDMGDOLIYAK-ZBEGNZNMSA-N 1 0 365.227 3.742 20 5 FHBDRO CC1CC[NH+](Cc2ccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])cc2)CC1 ZINC000180665358 941061380 /nfs/dbraw/zinc/06/13/80/941061380.db2.gz GITVEKOAMOYLIA-UHFFFAOYSA-N 1 0 368.437 3.661 20 5 FHBDRO CCOc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000180688194 941064149 /nfs/dbraw/zinc/06/41/49/941064149.db2.gz XAQPUDVJZCPGKQ-OAHLLOKOSA-N 1 0 371.437 3.981 20 5 FHBDRO Cc1cc(C[C@@H](C)[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000180963871 941097848 /nfs/dbraw/zinc/09/78/48/941097848.db2.gz BVZWTHIRVUKKME-VLIAUNLRSA-N 1 0 350.422 3.937 20 5 FHBDRO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000180989102 941100569 /nfs/dbraw/zinc/10/05/69/941100569.db2.gz OZLSEBJOXBXHGV-UHFFFAOYSA-N 1 0 368.437 3.805 20 5 FHBDRO CC[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000189031930 941142402 /nfs/dbraw/zinc/14/24/02/941142402.db2.gz DBDUOBSIDLXNLF-OALUTQOASA-N 1 0 371.412 3.576 20 5 FHBDRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000189492473 941159110 /nfs/dbraw/zinc/15/91/10/941159110.db2.gz POJQVPKJNLTDHU-CABCVRRESA-N 1 0 362.455 3.799 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000189602383 941214207 /nfs/dbraw/zinc/21/42/07/941214207.db2.gz IHBIFOCMFWTIBY-WQDDEOEWSA-N 1 0 358.360 3.681 20 5 FHBDRO CCc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000181480949 941330970 /nfs/dbraw/zinc/33/09/70/941330970.db2.gz GWUZLWIVVRXCMB-RHSMWYFYSA-N 1 0 359.470 3.540 20 5 FHBDRO CCC[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000181524056 941425838 /nfs/dbraw/zinc/42/58/38/941425838.db2.gz VDTNVFOIFMKMNX-CABCVRRESA-N 1 0 373.375 3.579 20 5 FHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000414643877 941427739 /nfs/dbraw/zinc/42/77/39/941427739.db2.gz LIHFGAPZFFMXEN-OAHLLOKOSA-N 1 0 352.394 3.840 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414661461 941429793 /nfs/dbraw/zinc/42/97/93/941429793.db2.gz XISJJOMNNOGUTA-MRXNPFEDSA-N 1 0 372.425 3.548 20 5 FHBDRO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414666305 941431354 /nfs/dbraw/zinc/43/13/54/941431354.db2.gz WOYWNSAOYQDNSN-DOTOQJQBSA-N 1 0 354.454 3.532 20 5 FHBDRO O=[N+]([O-])c1cc(CNC[C@H]2CCC[NH2+]C2)ccc1Oc1ccc(F)cc1 ZINC000414822125 941478187 /nfs/dbraw/zinc/47/81/87/941478187.db2.gz CFTMJTYWHWVKCV-HNNXBMFYSA-N 1 0 359.401 3.615 20 5 FHBDRO O=[N+]([O-])c1cc(CN[C@@H]2CCC[NH2+]C2)ccc1Oc1ccccc1Cl ZINC000414863365 941490799 /nfs/dbraw/zinc/49/07/99/941490799.db2.gz IODDIUXCAHRFJV-CQSZACIVSA-N 1 0 361.829 3.882 20 5 FHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414938864 941519044 /nfs/dbraw/zinc/51/90/44/941519044.db2.gz WKILZOXYFZRNGS-DJJJIMSYSA-N 1 0 368.437 3.561 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cs2)c1 ZINC000415055780 941575654 /nfs/dbraw/zinc/57/56/54/941575654.db2.gz RJZSCDLREDRFHX-QAPCUYQASA-N 1 0 372.494 3.682 20 5 FHBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000412081764 941704589 /nfs/dbraw/zinc/70/45/89/941704589.db2.gz RSGZCHKWCAFOGJ-LSDHHAIUSA-N 1 0 374.441 3.717 20 5 FHBDRO Cc1cccc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000063080596 941710618 /nfs/dbraw/zinc/71/06/18/941710618.db2.gz CBOJKICVRRVPKE-UHFFFAOYSA-N 1 0 367.449 3.545 20 5 FHBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1cc(N)ccc1F ZINC001211837161 941713200 /nfs/dbraw/zinc/71/32/00/941713200.db2.gz FAPCNMSOOJMTSK-UHFFFAOYSA-N 1 0 362.408 3.965 20 5 FHBDRO CC(C)[C@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCCCC1 ZINC000729307350 941713850 /nfs/dbraw/zinc/71/38/50/941713850.db2.gz OFLATIKGPRFBCN-QGZVFWFLSA-N 1 0 367.877 3.717 20 5 FHBDRO O=C(NCCCCCCC[NH+]1CCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000729341282 941722307 /nfs/dbraw/zinc/72/23/07/941722307.db2.gz PRRNIKORKBXVDK-UHFFFAOYSA-N 1 0 372.469 3.852 20 5 FHBDRO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC[C@@H]1O ZINC000190054779 941722532 /nfs/dbraw/zinc/72/25/32/941722532.db2.gz ZTCPBZKGERDIOX-ZBEGNZNMSA-N 1 0 350.802 3.711 20 5 FHBDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000120680379 941765856 /nfs/dbraw/zinc/76/58/56/941765856.db2.gz PMGXUJORUIUMDT-INIZCTEOSA-N 1 0 370.858 3.712 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000513233527 941790316 /nfs/dbraw/zinc/79/03/16/941790316.db2.gz YPHSHKNPZDKDCX-KBXCAEBGSA-N 1 0 353.422 3.925 20 5 FHBDRO Cc1cc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc([N+](=O)[O-])c1 ZINC000128338192 941795905 /nfs/dbraw/zinc/79/59/05/941795905.db2.gz VJBXPNJNGJMKJI-UHFFFAOYSA-N 1 0 371.462 3.704 20 5 FHBDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000513272575 941825076 /nfs/dbraw/zinc/82/50/76/941825076.db2.gz RKIDHVOLXQOYOJ-BEFAXECRSA-N 1 0 365.433 3.567 20 5 FHBDRO COCc1ccccc1/C=C(/C)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000513291202 941831650 /nfs/dbraw/zinc/83/16/50/941831650.db2.gz HKYUUOHXTBKEKT-SSZFMOIBSA-N 1 0 370.453 3.678 20 5 FHBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1C(F)(F)F)C[C@H]1CCn2ccnc2C1 ZINC000377657325 941874315 /nfs/dbraw/zinc/87/43/15/941874315.db2.gz XPLYDNHPVVBPOA-LBPRGKRZSA-N 1 0 368.359 3.505 20 5 FHBDRO C[C@H](NCc1c(Cl)cccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000119635987 941891932 /nfs/dbraw/zinc/89/19/32/941891932.db2.gz SUOGYBNLQXIVFT-LBPRGKRZSA-N 1 0 357.801 3.680 20 5 FHBDRO Cc1cc(N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000433788365 941898075 /nfs/dbraw/zinc/89/80/75/941898075.db2.gz FESROQLKMSHUMU-MEDUHNTESA-N 1 0 369.343 3.591 20 5 FHBDRO Cc1cc(N2CCC[C@H]([C@H](O)C(F)(F)F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000433788366 941898125 /nfs/dbraw/zinc/89/81/25/941898125.db2.gz FESROQLKMSHUMU-ZBEGNZNMSA-N 1 0 369.343 3.591 20 5 FHBDRO Cc1cn(C[N@H+](C2CC2)C2CCCCC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728708244 941910836 /nfs/dbraw/zinc/91/08/36/941910836.db2.gz YYHPEMZGCNBLRB-UHFFFAOYSA-N 1 0 370.453 3.610 20 5 FHBDRO Cc1cc(NC(=O)C2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)no1 ZINC000182855895 941982285 /nfs/dbraw/zinc/98/22/85/941982285.db2.gz OHAOHUAKZJHNLL-CQSZACIVSA-N 1 0 372.425 3.611 20 5 FHBDRO CC(C)(C)c1ccc(NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000415703604 942006285 /nfs/dbraw/zinc/00/62/85/942006285.db2.gz QWSXMCMQIFCSPV-GJZGRUSLSA-N 1 0 374.485 3.746 20 5 FHBDRO Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000182929674 942008541 /nfs/dbraw/zinc/00/85/41/942008541.db2.gz XAJJOZPHXUGESF-LSDHHAIUSA-N 1 0 360.458 3.678 20 5 FHBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000517567535 942013138 /nfs/dbraw/zinc/01/31/38/942013138.db2.gz KGOPKXLAUIWKDR-CHWSQXEVSA-N 1 0 358.398 3.634 20 5 FHBDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000377870966 942044051 /nfs/dbraw/zinc/04/40/51/942044051.db2.gz XIAIKEUZPCGMDH-LBPRGKRZSA-N 1 0 366.849 3.729 20 5 FHBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC([NH2+]C2CCCC2)CC1 ZINC000377875252 942045828 /nfs/dbraw/zinc/04/58/28/942045828.db2.gz RMDRSZVDBMBKLN-UHFFFAOYSA-N 1 0 366.849 3.777 20 5 FHBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[N@@H+]1CCCC[C@@H]1C ZINC000549365742 942060165 /nfs/dbraw/zinc/06/01/65/942060165.db2.gz CCVFDRAJUWRFKD-RYUDHWBXSA-N 1 0 373.375 3.606 20 5 FHBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[N@@H+]1CCCC[C@H]1C ZINC000549365740 942060439 /nfs/dbraw/zinc/06/04/39/942060439.db2.gz CCVFDRAJUWRFKD-NEPJUHHUSA-N 1 0 373.375 3.606 20 5 FHBDRO COCCC1(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000513671587 942066344 /nfs/dbraw/zinc/06/63/44/942066344.db2.gz DABMEAVMUYPEFD-GOSISDBHSA-N 1 0 372.469 3.604 20 5 FHBDRO Cc1ccccc1C[C@H](C)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501850433 942077614 /nfs/dbraw/zinc/07/76/14/942077614.db2.gz JVQOZGQOEYRTGO-INIZCTEOSA-N 1 0 355.438 3.795 20 5 FHBDRO COc1ccc([C@@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C(C)C)cc1 ZINC000102693176 942083374 /nfs/dbraw/zinc/08/33/74/942083374.db2.gz NOEDRSMUGSNINB-FQEVSTJZSA-N 1 0 371.437 3.837 20 5 FHBDRO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501938222 942136149 /nfs/dbraw/zinc/13/61/49/942136149.db2.gz KWGKHAMELJRCTM-CYBMUJFWSA-N 1 0 359.348 3.586 20 5 FHBDRO CC[NH2+]Cc1cccc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000415911658 942146204 /nfs/dbraw/zinc/14/62/04/942146204.db2.gz YOBZFEMTCPKSDZ-UHFFFAOYSA-N 1 0 370.453 3.849 20 5 FHBDRO Cc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000415964217 942202876 /nfs/dbraw/zinc/20/28/76/942202876.db2.gz XDYBHABSKXYGJU-LBPRGKRZSA-N 1 0 372.400 3.571 20 5 FHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCSC3CCCCC3)C2)nc1 ZINC000500984325 942246019 /nfs/dbraw/zinc/24/60/19/942246019.db2.gz LZOXDSVDZQTRKG-CQSZACIVSA-N 1 0 350.488 3.542 20 5 FHBDRO COc1ccc(C[NH2+]CCOc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000237149906 942249998 /nfs/dbraw/zinc/24/99/98/942249998.db2.gz OUJDSEUKJIRTPR-UHFFFAOYSA-N 1 0 370.327 3.791 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420938955 942264407 /nfs/dbraw/zinc/26/44/07/942264407.db2.gz BGOOVAHRQPNEPB-CYBMUJFWSA-N 1 0 373.375 3.896 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@H]([NH+]4CCCCC4)C3)o2)c1 ZINC000513733763 942285883 /nfs/dbraw/zinc/28/58/83/942285883.db2.gz VXTQGEWPCZTQQS-SFHVURJKSA-N 1 0 355.438 3.915 20 5 FHBDRO O=C(CC[NH2+][C@@H](CC(F)F)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000420992955 942294296 /nfs/dbraw/zinc/29/42/96/942294296.db2.gz LLYMYHGGSLHYGV-HNNXBMFYSA-N 1 0 363.364 3.910 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000481090277 942327433 /nfs/dbraw/zinc/32/74/33/942327433.db2.gz JVORJTHQALSUBE-DZGCQCFKSA-N 1 0 363.458 3.736 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000110247952 942348570 /nfs/dbraw/zinc/34/85/70/942348570.db2.gz QJGWDVIJPIIMFA-LJQANCHMSA-N 1 0 369.465 3.748 20 5 FHBDRO CC[NH2+]Cc1ccccc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000237032310 942350376 /nfs/dbraw/zinc/35/03/76/942350376.db2.gz ZRPMADCUUZNINB-UHFFFAOYSA-N 1 0 356.426 3.535 20 5 FHBDRO CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000416112468 942361977 /nfs/dbraw/zinc/36/19/77/942361977.db2.gz XEWUUFAQLHWGLL-UHFFFAOYSA-N 1 0 373.375 3.560 20 5 FHBDRO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000502337850 942367953 /nfs/dbraw/zinc/36/79/53/942367953.db2.gz YKQNKCBUJSBXMQ-BBRMVZONSA-N 1 0 364.396 3.833 20 5 FHBDRO C[NH+](C)[C@@H](CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000416155695 942405066 /nfs/dbraw/zinc/40/50/66/942405066.db2.gz MXQDPEJNRYFLPU-FQEVSTJZSA-N 1 0 369.465 3.727 20 5 FHBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000502428499 942427652 /nfs/dbraw/zinc/42/76/52/942427652.db2.gz UGSUUIFJDNVPRS-UHFFFAOYSA-N 1 0 369.465 3.887 20 5 FHBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000502424839 942439022 /nfs/dbraw/zinc/43/90/22/942439022.db2.gz AYYYUKNZXJDARQ-UHFFFAOYSA-N 1 0 355.438 3.579 20 5 FHBDRO Cc1nn(C)c(NC[C@@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000513745090 942451483 /nfs/dbraw/zinc/45/14/83/942451483.db2.gz UOHCQLUYPZDSAY-RHSMWYFYSA-N 1 0 359.474 3.814 20 5 FHBDRO CC[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000501385418 942454090 /nfs/dbraw/zinc/45/40/90/942454090.db2.gz DHSZODAGZLVTJI-GOSISDBHSA-N 1 0 368.437 3.553 20 5 FHBDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CCO1 ZINC000421370680 942520778 /nfs/dbraw/zinc/52/07/78/942520778.db2.gz CEJHWDCXJINSHV-ZIAGYGMSSA-N 1 0 360.410 3.911 20 5 FHBDRO COc1cccc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1[N+](=O)[O-] ZINC000366537773 942541668 /nfs/dbraw/zinc/54/16/68/942541668.db2.gz MNFWIQUWPULFBK-UHFFFAOYSA-N 1 0 373.375 3.821 20 5 FHBDRO CC[C@@H]1C[C@]1([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(C)c1 ZINC000502566830 942548007 /nfs/dbraw/zinc/54/80/07/942548007.db2.gz SJVXDCKNQDAHAG-IIBYNOLFSA-N 1 0 367.449 3.781 20 5 FHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434350071 942597797 /nfs/dbraw/zinc/59/77/97/942597797.db2.gz OORWTAFBCUARKX-IBGZPJMESA-N 1 0 374.485 3.532 20 5 FHBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000420281665 942602749 /nfs/dbraw/zinc/60/27/49/942602749.db2.gz MHWGRTYOXUEADP-CJNGLKHVSA-N 1 0 374.268 3.624 20 5 FHBDRO CC[N@@H+]1CC[C@@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000236823759 942669608 /nfs/dbraw/zinc/66/96/08/942669608.db2.gz KGCUDPHYHMIXKX-ZDUSSCGKSA-N 1 0 363.845 3.940 20 5 FHBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421709792 942763550 /nfs/dbraw/zinc/76/35/50/942763550.db2.gz HFYTVYLCXNEPHS-HNNXBMFYSA-N 1 0 365.499 3.653 20 5 FHBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000181587044 942775631 /nfs/dbraw/zinc/77/56/31/942775631.db2.gz CYCAUBRLPUWWSH-LBPRGKRZSA-N 1 0 363.364 3.861 20 5 FHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000378457856 942790101 /nfs/dbraw/zinc/79/01/01/942790101.db2.gz CYCAEQKTXZSSJN-CYBMUJFWSA-N 1 0 374.466 3.838 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC2(C[C@H]2C(=O)N2CCCC2)CC1 ZINC000378501877 942832244 /nfs/dbraw/zinc/83/22/44/942832244.db2.gz ZUWCKJFFSJEGLD-LPHOPBHVSA-N 1 0 371.481 3.689 20 5 FHBDRO CCOc1cc(C[NH+]2CCC(c3ccnn3CC)CC2)ccc1[N+](=O)[O-] ZINC000434797293 942961341 /nfs/dbraw/zinc/96/13/41/942961341.db2.gz XYJPCBGEGCQMKL-UHFFFAOYSA-N 1 0 358.442 3.590 20 5 FHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1CCC(F)(F)CC1 ZINC000503082601 942965791 /nfs/dbraw/zinc/96/57/91/942965791.db2.gz GUFQOQJPFRTKQY-GFCCVEGCSA-N 1 0 355.385 3.727 20 5 FHBDRO Cn1ccnc1[C@H]([NH2+]CC1CCC(F)(F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000503086569 942969719 /nfs/dbraw/zinc/96/97/19/942969719.db2.gz IVNJNTJALYPYIW-MRXNPFEDSA-N 1 0 364.396 3.833 20 5 FHBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1ccco1 ZINC000422099228 942988723 /nfs/dbraw/zinc/98/87/23/942988723.db2.gz NOHWANYDTDSPQS-GOEBONIOSA-N 1 0 359.426 3.664 20 5 FHBDRO CCn1c(C)nc([N+](=O)[O-])c1S[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000425256582 943067765 /nfs/dbraw/zinc/06/77/65/943067765.db2.gz AIJOFEMLPFTGFK-INIZCTEOSA-N 1 0 360.483 3.876 20 5 FHBDRO C[C@@]1(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CCC[NH2+]C1 ZINC000435071463 943142433 /nfs/dbraw/zinc/14/24/33/943142433.db2.gz ZOYUNCVQGOTANH-LJQANCHMSA-N 1 0 355.394 3.715 20 5 FHBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000031664280 943176328 /nfs/dbraw/zinc/17/63/28/943176328.db2.gz BTPAFEMEHCTGKG-UHFFFAOYSA-N 1 0 354.410 3.512 20 5 FHBDRO CCn1nc(C)c([N+](=O)[O-])c1S[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000425285699 943190492 /nfs/dbraw/zinc/19/04/92/943190492.db2.gz TYUSAFHVCZQYHZ-INIZCTEOSA-N 1 0 360.483 3.876 20 5 FHBDRO Cc1c(C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)cccc1[N+](=O)[O-] ZINC001269933353 943307916 /nfs/dbraw/zinc/30/79/16/943307916.db2.gz VIDLIQDOLRCCOC-IBGZPJMESA-N 1 0 369.465 3.790 20 5 FHBDRO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549464171 943336598 /nfs/dbraw/zinc/33/65/98/943336598.db2.gz LGRPHRFIWDRTMZ-CYBMUJFWSA-N 1 0 368.355 3.997 20 5 FHBDRO C[NH+](C)CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CCCC1 ZINC000503805922 943376495 /nfs/dbraw/zinc/37/64/95/943376495.db2.gz VPNJTDDIJKEPRR-UHFFFAOYSA-N 1 0 361.486 3.839 20 5 FHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000514910374 943381699 /nfs/dbraw/zinc/38/16/99/943381699.db2.gz SHMSUYZMGSEKLC-SJKNXKOVSA-N 1 0 358.360 3.633 20 5 FHBDRO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423088498 943389346 /nfs/dbraw/zinc/38/93/46/943389346.db2.gz QHXRLURRPDOJCC-YVEFUNNKSA-N 1 0 367.371 3.662 20 5 FHBDRO Cc1ccc(NC(=O)C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000425372368 943392072 /nfs/dbraw/zinc/39/20/72/943392072.db2.gz SKLJVUZDJBFVBZ-ZDUSSCGKSA-N 1 0 361.829 3.716 20 5 FHBDRO O=[N+]([O-])c1cc(CN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435423286 943403690 /nfs/dbraw/zinc/40/36/90/943403690.db2.gz SKERGMAAUUMGRR-HNNXBMFYSA-N 1 0 363.508 3.862 20 5 FHBDRO C[C@@H]([NH2+][C@@H](Cn1ccccc1=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000503937168 943425873 /nfs/dbraw/zinc/42/58/73/943425873.db2.gz LGMWJJCNVLFVRP-UZLBHIALSA-N 1 0 363.417 3.849 20 5 FHBDRO CCc1ccc([C@H](NC[C@]2(C)CCC[NH2+]C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423344974 943478659 /nfs/dbraw/zinc/47/86/59/943478659.db2.gz OPZCETKBCAPYEP-WOJBJXKFSA-N 1 0 357.454 3.819 20 5 FHBDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417316589 943502160 /nfs/dbraw/zinc/50/21/60/943502160.db2.gz UNJFGMSUVQJBON-GJYPPUQNSA-N 1 0 359.470 3.599 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1cnc(C3CC3)nc1)CCCC2 ZINC000417308942 943506933 /nfs/dbraw/zinc/50/69/33/943506933.db2.gz IJSFBRGIDPJEMF-IBGZPJMESA-N 1 0 352.438 3.862 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c(c1)OCCO3)CCCC2 ZINC000417329535 943511573 /nfs/dbraw/zinc/51/15/73/943511573.db2.gz UPVNAJYIMBTBFK-GOSISDBHSA-N 1 0 354.406 3.923 20 5 FHBDRO COCCOc1ncccc1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417332747 943520597 /nfs/dbraw/zinc/52/05/97/943520597.db2.gz XRNFELRRLCJEEH-LJQANCHMSA-N 1 0 371.437 3.572 20 5 FHBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)[C@H]1n1cccn1 ZINC000417346919 943526990 /nfs/dbraw/zinc/52/69/90/943526990.db2.gz GEYFQJIXPCRUHN-IYWMVGAKSA-N 1 0 370.453 3.567 20 5 FHBDRO Cn1nc2c(c1C[NH2+][C@@H]1CCCCc3ccc([N+](=O)[O-])cc31)CCCC2 ZINC000417350360 943529189 /nfs/dbraw/zinc/52/91/89/943529189.db2.gz PORIWOYNSKPJGY-GOSISDBHSA-N 1 0 354.454 3.764 20 5 FHBDRO CC(C)[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[NH+]1CCC(C)CC1 ZINC000515172201 943530091 /nfs/dbraw/zinc/53/00/91/943530091.db2.gz TZXSFLHSLWMWHT-QGZVFWFLSA-N 1 0 373.453 3.827 20 5 FHBDRO C[N@@H+]1CCC[C@H]2CN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC[C@@H]21 ZINC000549470552 943580004 /nfs/dbraw/zinc/58/00/04/943580004.db2.gz AAIQPXGRUGGXCN-LRDDRELGSA-N 1 0 357.376 3.530 20 5 FHBDRO C[S@@](=O)C1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCC1 ZINC000435733606 943587359 /nfs/dbraw/zinc/58/73/59/943587359.db2.gz UBZRDWINJJBVRQ-XMMPIXPASA-N 1 0 364.492 3.714 20 5 FHBDRO CC(C)[NH+](CCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000504487269 943643179 /nfs/dbraw/zinc/64/31/79/943643179.db2.gz GZKXXJXCIDWLEJ-UHFFFAOYSA-N 1 0 356.854 3.831 20 5 FHBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000424043772 943702760 /nfs/dbraw/zinc/70/27/60/943702760.db2.gz GQUJCRMCUKPEOF-ZFWWWQNUSA-N 1 0 371.462 3.616 20 5 FHBDRO CC(C)(NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000515357836 943823784 /nfs/dbraw/zinc/82/37/84/943823784.db2.gz ANXUHZVOEQATLF-UHFFFAOYSA-N 1 0 367.449 3.856 20 5 FHBDRO CC[NH+](CC)C[C@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425414296 943848659 /nfs/dbraw/zinc/84/86/59/943848659.db2.gz FTBKFJJMOLHFIF-CYBMUJFWSA-N 1 0 370.291 3.521 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2c1cnn2C ZINC000504900438 943876881 /nfs/dbraw/zinc/87/68/81/943876881.db2.gz YBYGDGLDFWGLSA-UKRRQHHQSA-N 1 0 360.483 3.866 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000504894642 943892720 /nfs/dbraw/zinc/89/27/20/943892720.db2.gz NGYUEGJBIJHNQG-QFBILLFUSA-N 1 0 369.465 3.919 20 5 FHBDRO Cc1ccc([C@H](C)NC(=O)N(CCC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000417843972 943898648 /nfs/dbraw/zinc/89/86/48/943898648.db2.gz HEWNEBAVXSDHGK-INIZCTEOSA-N 1 0 370.453 3.525 20 5 FHBDRO Cc1ccc([C@@H](C)NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000417847006 943908270 /nfs/dbraw/zinc/90/82/70/943908270.db2.gz JXTMURFAWCTEAN-QAPCUYQASA-N 1 0 370.453 3.744 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)Cn1ccnc1C ZINC000504912464 943908623 /nfs/dbraw/zinc/90/86/23/943908623.db2.gz WQESZZULQNKEAV-HOCLYGCPSA-N 1 0 362.499 3.896 20 5 FHBDRO Cc1c(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000504913349 943909602 /nfs/dbraw/zinc/90/96/02/943909602.db2.gz DRKQOXMEZUOVAP-QGZVFWFLSA-N 1 0 368.437 3.689 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn2ccccc2n1 ZINC000504925573 943922962 /nfs/dbraw/zinc/92/29/62/943922962.db2.gz DGZJGSIXKQEFKI-CQSZACIVSA-N 1 0 356.451 3.903 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn2ccccc2n1 ZINC000504925572 943923353 /nfs/dbraw/zinc/92/33/53/943923353.db2.gz DGZJGSIXKQEFKI-AWEZNQCLSA-N 1 0 356.451 3.903 20 5 FHBDRO COc1cc(C[N@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000566520324 943934825 /nfs/dbraw/zinc/93/48/25/943934825.db2.gz PHAVNILQCHXOJZ-CVEARBPZSA-N 1 0 358.438 3.590 20 5 FHBDRO COc1cccc([C@@H](CNc2ncc([N+](=O)[O-])cc2C)[NH+]2CCCC2)c1 ZINC000092582881 944031792 /nfs/dbraw/zinc/03/17/92/944031792.db2.gz ZRJNVUMEVQGDCH-GOSISDBHSA-N 1 0 356.426 3.556 20 5 FHBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000500069610 944052468 /nfs/dbraw/zinc/05/24/68/944052468.db2.gz ISDZTBXJDGBVPP-PBHICJAKSA-N 1 0 357.410 3.990 20 5 FHBDRO CC[C@H](Cc1ccccc1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500098345 944093771 /nfs/dbraw/zinc/09/37/71/944093771.db2.gz LMEIFHXOYKPBDE-QGZVFWFLSA-N 1 0 355.438 3.877 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]C[C@]3(O)CCC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000517224069 944121048 /nfs/dbraw/zinc/12/10/48/944121048.db2.gz RUAALARXPVSURX-BFUOFWGJSA-N 1 0 360.410 3.504 20 5 FHBDRO CN(C)C(=O)c1ccccc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418072981 944123290 /nfs/dbraw/zinc/12/32/90/944123290.db2.gz LREOQDMNJLMFMR-KRWDZBQOSA-N 1 0 367.449 3.676 20 5 FHBDRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500113230 944128942 /nfs/dbraw/zinc/12/89/42/944128942.db2.gz FPNQWWITSFDMRB-FUHWJXTLSA-N 1 0 367.449 3.877 20 5 FHBDRO Cc1ccc(C[C@@H](C)[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000500125040 944131899 /nfs/dbraw/zinc/13/18/99/944131899.db2.gz OVKNLWULORXIRO-MRXNPFEDSA-N 1 0 355.438 3.795 20 5 FHBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCc1ccc(Cl)cc1 ZINC000500141298 944163609 /nfs/dbraw/zinc/16/36/09/944163609.db2.gz SEQUVNPURHVCEH-UHFFFAOYSA-N 1 0 361.829 3.751 20 5 FHBDRO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000382118475 944180835 /nfs/dbraw/zinc/18/08/35/944180835.db2.gz WHPUQBONQMIPHN-FZKQIMNGSA-N 1 0 373.840 3.641 20 5 FHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436303066 944186937 /nfs/dbraw/zinc/18/69/37/944186937.db2.gz BMIVTCZPVVSILL-JHJVBQTASA-N 1 0 372.391 3.850 20 5 FHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000436317065 944195935 /nfs/dbraw/zinc/19/59/35/944195935.db2.gz KFUOOFLZZGCGHT-ZBFHGGJFSA-N 1 0 352.438 3.810 20 5 FHBDRO C[NH+](C)[C@@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000436309384 944205769 /nfs/dbraw/zinc/20/57/69/944205769.db2.gz OWFFDSHWUWAHBQ-ZDUSSCGKSA-N 1 0 372.322 3.863 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)o1 ZINC000500227410 944297271 /nfs/dbraw/zinc/29/72/71/944297271.db2.gz FRSOTACTILLQFD-MRXNPFEDSA-N 1 0 370.380 3.687 20 5 FHBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000436410794 944298208 /nfs/dbraw/zinc/29/82/08/944298208.db2.gz PIKPVWYNFUNGFC-ZYHUDNBSSA-N 1 0 362.348 3.823 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000506474081 944300795 /nfs/dbraw/zinc/30/07/95/944300795.db2.gz LAXOAUKUYWJTCY-QZTJIDSGSA-N 1 0 361.486 3.560 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000506478387 944307777 /nfs/dbraw/zinc/30/77/77/944307777.db2.gz GIRFPCVQJXGIHT-MSOLQXFVSA-N 1 0 361.486 3.560 20 5 FHBDRO CSc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000500235864 944315952 /nfs/dbraw/zinc/31/59/52/944315952.db2.gz ZPEOBTOZUYDKOP-QWHCGFSZSA-N 1 0 359.451 3.995 20 5 FHBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000506482491 944333044 /nfs/dbraw/zinc/33/30/44/944333044.db2.gz TVHHDXYCVYMAON-OEMHODTASA-N 1 0 351.450 3.814 20 5 FHBDRO COc1cc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)c([N+](=O)[O-])cc1F ZINC000184270716 944374045 /nfs/dbraw/zinc/37/40/45/944374045.db2.gz OQLSZBFEKLPESR-LJQANCHMSA-N 1 0 374.412 3.516 20 5 FHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000518430085 944374313 /nfs/dbraw/zinc/37/43/13/944374313.db2.gz AFFOJSCNKWILQL-WMLDXEAASA-N 1 0 354.410 3.552 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000123594106 944386934 /nfs/dbraw/zinc/38/69/34/944386934.db2.gz GPFOGPXXSFILML-HNNXBMFYSA-N 1 0 370.453 3.527 20 5 FHBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000517567537 944406618 /nfs/dbraw/zinc/40/66/18/944406618.db2.gz KGOPKXLAUIWKDR-QWHCGFSZSA-N 1 0 358.398 3.634 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(c3ccccc3F)C1)CCC2 ZINC000426307554 944431038 /nfs/dbraw/zinc/43/10/38/944431038.db2.gz RXWIYOJWJCFFQX-BEFAXECRSA-N 1 0 355.413 3.980 20 5 FHBDRO Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c1[N+](=O)[O-] ZINC000517623401 944451277 /nfs/dbraw/zinc/45/12/77/944451277.db2.gz ZMEOBXXMGCSEMD-KRWDZBQOSA-N 1 0 359.470 3.678 20 5 FHBDRO CCS[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000112088873 944481059 /nfs/dbraw/zinc/48/10/59/944481059.db2.gz DJTBHCXALFWVGM-KBPBESRZSA-N 1 0 351.472 3.529 20 5 FHBDRO CC[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000311299175 944534141 /nfs/dbraw/zinc/53/41/41/944534141.db2.gz GXOZOSRHNQQLBX-IRXDYDNUSA-N 1 0 363.458 3.939 20 5 FHBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000425998162 944586556 /nfs/dbraw/zinc/58/65/56/944586556.db2.gz GHKNJJONXJKSRJ-UKRRQHHQSA-N 1 0 360.385 3.729 20 5 FHBDRO COCC[C@@H](COC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000566708563 944659790 /nfs/dbraw/zinc/65/97/90/944659790.db2.gz NYUHHPXBPDKQFA-LBPRGKRZSA-N 1 0 368.817 3.649 20 5 FHBDRO C[N@@H+]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1ccccc1 ZINC000536261094 944672492 /nfs/dbraw/zinc/67/24/92/944672492.db2.gz BENVAAWMCKZWRI-LPHOPBHVSA-N 1 0 365.389 3.516 20 5 FHBDRO CSc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000439483082 944686106 /nfs/dbraw/zinc/68/61/06/944686106.db2.gz DRUDVRASELPPDE-CYBMUJFWSA-N 1 0 359.451 3.914 20 5 FHBDRO Cc1ccc(C)c(OC[C@@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000517825953 944690785 /nfs/dbraw/zinc/69/07/85/944690785.db2.gz LAXOSJGHMFZLBC-FQEVSTJZSA-N 1 0 372.465 3.862 20 5 FHBDRO C[C@H]1CCC[C@](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)([NH+](C)C)C1 ZINC000518782457 944737962 /nfs/dbraw/zinc/73/79/62/944737962.db2.gz ZEHZHIWUBCOQNV-DJJJIMSYSA-N 1 0 359.426 3.581 20 5 FHBDRO Cc1cc(C)n(-c2ccc(CN3CCc4ccc([N+](=O)[O-])cc4C3)cc2)n1 ZINC000438519670 944742746 /nfs/dbraw/zinc/74/27/46/944742746.db2.gz WTXWMFDZAHKUOQ-UHFFFAOYSA-N 1 0 362.433 3.956 20 5 FHBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000518806761 944786301 /nfs/dbraw/zinc/78/63/01/944786301.db2.gz PSLZUKHVRQOVOW-ZDUSSCGKSA-N 1 0 359.401 3.593 20 5 FHBDRO COc1ccc(CC[C@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000566792110 944834700 /nfs/dbraw/zinc/83/47/00/944834700.db2.gz KRSVVKMUTFZWQZ-HNNXBMFYSA-N 1 0 371.437 3.543 20 5 FHBDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000506299959 944848386 /nfs/dbraw/zinc/84/83/86/944848386.db2.gz XZZOUDLGISCWAC-AWEZNQCLSA-N 1 0 360.435 3.708 20 5 FHBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](CCc4cccs4)CC3)ccc2c1 ZINC000511734378 944967263 /nfs/dbraw/zinc/96/72/63/944967263.db2.gz MJWDDWKRVKFJGU-UHFFFAOYSA-N 1 0 368.462 3.569 20 5 FHBDRO COc1ccc(-c2ccc(C[N@H+](C)[C@H]3CC[C@H](O)CC3)o2)c([N+](=O)[O-])c1 ZINC000439774086 944975983 /nfs/dbraw/zinc/97/59/83/944975983.db2.gz IYGUAYZDNZJWAR-HDJSIYSDSA-N 1 0 360.410 3.599 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)Cc1ccccc1 ZINC000437106798 945028325 /nfs/dbraw/zinc/02/83/25/945028325.db2.gz XIEWUOUZZKRFFP-IRXDYDNUSA-N 1 0 360.479 3.659 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000506698814 945029090 /nfs/dbraw/zinc/02/90/90/945029090.db2.gz AMUINZQZEAZNEJ-UHFFFAOYSA-N 1 0 350.463 3.794 20 5 FHBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000516583915 945036874 /nfs/dbraw/zinc/03/68/74/945036874.db2.gz LVRJOPOARJVIGH-JFRXWTBNSA-N 1 0 370.453 3.566 20 5 FHBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000511762754 945051757 /nfs/dbraw/zinc/05/17/57/945051757.db2.gz OITFDMSKMRHOTP-HHXXYDBFSA-N 1 0 356.397 3.738 20 5 FHBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2CO)ccc1Oc1ccccc1Cl ZINC000506367811 945054548 /nfs/dbraw/zinc/05/45/48/945054548.db2.gz FNXQSVIISUSUNB-CQSZACIVSA-N 1 0 362.813 3.997 20 5 FHBDRO COc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000511764176 945059392 /nfs/dbraw/zinc/05/93/92/945059392.db2.gz CTZRCGASKIFJDI-QYZOEREBSA-N 1 0 368.433 3.608 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2ccccc2[C@H]1C ZINC000106862473 945419054 /nfs/dbraw/zinc/41/90/54/945419054.db2.gz KIAIRRRDHQJKEE-CQSZACIVSA-N 1 0 369.421 3.551 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]CC3(CCO)CCC3)o2)c([N+](=O)[O-])c1 ZINC000136540306 945550521 /nfs/dbraw/zinc/55/05/21/945550521.db2.gz QIJNEJBKZKTLLH-UHFFFAOYSA-N 1 0 360.410 3.506 20 5 FHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2nccs2)CC1 ZINC000281480821 945654569 /nfs/dbraw/zinc/65/45/69/945654569.db2.gz FTQJFOMTUJECPD-AWEZNQCLSA-N 1 0 360.483 3.631 20 5 FHBDRO Cc1cc(NC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000613778070 945943750 /nfs/dbraw/zinc/94/37/50/945943750.db2.gz RRBBCYIHVDFDIT-GOSISDBHSA-N 1 0 368.437 3.641 20 5 FHBDRO CN(c1ncc([N+](=O)[O-])cc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000522902466 946081763 /nfs/dbraw/zinc/08/17/63/946081763.db2.gz ZMNDJHDQAOHCJB-UHFFFAOYSA-N 1 0 360.845 3.744 20 5 FHBDRO Cc1ccoc1C(=O)NCCCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302200022 946173267 /nfs/dbraw/zinc/17/32/67/946173267.db2.gz UUSVPBYJSMRGPH-UHFFFAOYSA-N 1 0 368.393 3.585 20 5 FHBDRO O=[N+]([O-])c1cccc(C[NH2+]CCOc2ccc(Br)cc2)c1 ZINC000052926279 946259176 /nfs/dbraw/zinc/25/91/76/946259176.db2.gz NXGPAZHDLRQWTK-UHFFFAOYSA-N 1 0 351.200 3.526 20 5 FHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000186022100 946331279 /nfs/dbraw/zinc/33/12/79/946331279.db2.gz CIWSTRBBMNQOFY-CQSZACIVSA-N 1 0 365.861 3.519 20 5 FHBDRO Cn1nc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c2ccccc21 ZINC000186486401 946395809 /nfs/dbraw/zinc/39/58/09/946395809.db2.gz MCCUXOVCCPPFCL-IBGZPJMESA-N 1 0 364.449 3.635 20 5 FHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccncc1OCC(F)F ZINC000441336139 946442895 /nfs/dbraw/zinc/44/28/95/946442895.db2.gz AULBOSFMESOIKG-NTUHNPAUSA-N 1 0 363.364 3.827 20 5 FHBDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000111372539 946446080 /nfs/dbraw/zinc/44/60/80/946446080.db2.gz FSMAKSBWASNJDO-WBMJQRKESA-N 1 0 359.813 3.704 20 5 FHBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000186095977 946467318 /nfs/dbraw/zinc/46/73/18/946467318.db2.gz KSOLKYXFHAXOIO-MRXNPFEDSA-N 1 0 374.485 3.533 20 5 FHBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000475144008 946492546 /nfs/dbraw/zinc/49/25/46/946492546.db2.gz KLMBPXPAYGRXIC-HZPDHXFCSA-N 1 0 363.458 3.736 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000475154033 946495022 /nfs/dbraw/zinc/49/50/22/946495022.db2.gz PPKPCPDMWJDURM-CVEARBPZSA-N 1 0 363.458 3.736 20 5 FHBDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000475158782 946528116 /nfs/dbraw/zinc/52/81/16/946528116.db2.gz NLXNLCZABWVWOE-HZPDHXFCSA-N 1 0 361.442 3.697 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)N1CCc2ccccc21 ZINC000507951679 946533118 /nfs/dbraw/zinc/53/31/18/946533118.db2.gz SABSTQCUXKHVDE-HNNXBMFYSA-N 1 0 355.438 3.534 20 5 FHBDRO COc1ccc(OCC[N@H+](C)[C@H](C)Cc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000441408510 946563006 /nfs/dbraw/zinc/56/30/06/946563006.db2.gz XKSYECGTYGYNHA-OAHLLOKOSA-N 1 0 374.437 3.554 20 5 FHBDRO C[NH+](C)CCOc1ccccc1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000112077825 946656058 /nfs/dbraw/zinc/65/60/58/946656058.db2.gz IYILNLWPKKJELP-UHFFFAOYSA-N 1 0 366.421 3.696 20 5 FHBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1O ZINC000475561026 946666154 /nfs/dbraw/zinc/66/61/54/946666154.db2.gz XEQYYGKUTBRLCG-CZUORRHYSA-N 1 0 360.385 3.874 20 5 FHBDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000475235865 946758001 /nfs/dbraw/zinc/75/80/01/946758001.db2.gz QBWKVSFXJLQDGO-STQMWFEESA-N 1 0 354.410 3.762 20 5 FHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@]3(c4ccccc4)CCCO3)nc2c1 ZINC000897233646 946978788 /nfs/dbraw/zinc/97/87/88/946978788.db2.gz YCQGFABTJOWKRD-LJQANCHMSA-N 1 0 353.378 3.532 20 5 FHBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000613860524 946983794 /nfs/dbraw/zinc/98/37/94/946983794.db2.gz MYCBQCLFJUNNRY-GFCCVEGCSA-N 1 0 374.363 3.608 20 5 FHBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000909606000 947018991 /nfs/dbraw/zinc/01/89/91/947018991.db2.gz CAZBJMWPRGJJLP-UHFFFAOYSA-N 1 0 355.438 3.881 20 5 FHBDRO Cc1c([C@H](C)[NH2+][C@H](COC(N)=O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000840862428 947069233 /nfs/dbraw/zinc/06/92/33/947069233.db2.gz GGRLTLBETJSADQ-HOCLYGCPSA-N 1 0 357.410 3.674 20 5 FHBDRO CCc1nn(C)c(CC)c1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278854846 947088512 /nfs/dbraw/zinc/08/85/12/947088512.db2.gz XGYXVHGHXPMVPC-UHFFFAOYSA-N 1 0 370.375 3.762 20 5 FHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])CC(C)C ZINC000188188182 947179516 /nfs/dbraw/zinc/17/95/16/947179516.db2.gz RDIKTUVNIYQMBV-CQSZACIVSA-N 1 0 367.515 3.803 20 5 FHBDRO Cc1cc(F)cc(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000236775025 947186496 /nfs/dbraw/zinc/18/64/96/947186496.db2.gz BRPVFPRKYOZSFN-QGZVFWFLSA-N 1 0 359.401 3.596 20 5 FHBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000125659442 947216512 /nfs/dbraw/zinc/21/65/12/947216512.db2.gz TUKCDXIDLSYWIN-BDJLRTHQSA-N 1 0 370.327 3.878 20 5 FHBDRO O=[N+]([O-])c1cc(F)c(NC2CC[NH+](CCc3ccccc3)CC2)c(F)c1 ZINC000440591879 947333910 /nfs/dbraw/zinc/33/39/10/947333910.db2.gz CPTBSWWFLNPBQR-UHFFFAOYSA-N 1 0 361.392 3.992 20 5 FHBDRO CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000072837917 947569724 /nfs/dbraw/zinc/56/97/24/947569724.db2.gz SIKSWPLBCHTDJV-STQMWFEESA-N 1 0 371.890 3.793 20 5 FHBDRO CSc1cccc(C(=O)Nc2ccccc2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000438569689 947905466 /nfs/dbraw/zinc/90/54/66/947905466.db2.gz TUORFEDOUGXDIO-UHFFFAOYSA-N 1 0 359.451 3.673 20 5 FHBDRO Cc1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000549617751 948092529 /nfs/dbraw/zinc/09/25/29/948092529.db2.gz WEPTVPYPKYDNIZ-INIZCTEOSA-N 1 0 361.829 3.589 20 5 FHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432348785 948186341 /nfs/dbraw/zinc/18/63/41/948186341.db2.gz SZIMECPLVGWZRF-XHSDSOJGSA-N 1 0 354.454 3.985 20 5 FHBDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000574735028 948420066 /nfs/dbraw/zinc/42/00/66/948420066.db2.gz LCQDRPPFQANUEC-UVDFWXMISA-N 1 0 372.469 3.623 20 5 FHBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000574803009 948521184 /nfs/dbraw/zinc/52/11/84/948521184.db2.gz LOKWJXVHMFEXJD-CQSZACIVSA-N 1 0 371.462 3.618 20 5 FHBDRO C[C@H]1CC[C@H](c2ccccc2)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000512165029 948602511 /nfs/dbraw/zinc/60/25/11/948602511.db2.gz KQDDACKIDOVSHM-KBXCAEBGSA-N 1 0 353.422 3.667 20 5 FHBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000574854958 948634199 /nfs/dbraw/zinc/63/41/99/948634199.db2.gz FYDUTTBXXQFIJC-KYJSFNMBSA-N 1 0 366.433 3.648 20 5 FHBDRO CC(C)[C@@H](C)NC(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182103000 948663046 /nfs/dbraw/zinc/66/30/46/948663046.db2.gz XRRARYUHZWRYRG-CYBMUJFWSA-N 1 0 367.877 3.621 20 5 FHBDRO COc1ccc(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000512182462 948706555 /nfs/dbraw/zinc/70/65/55/948706555.db2.gz SHAGMLVOVHCWFU-WMZOPIPTSA-N 1 0 361.486 3.690 20 5 FHBDRO CC1CC[NH+]([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000016468635 210153748 /nfs/dbraw/zinc/15/37/48/210153748.db2.gz LAEPHCAWAXGZQS-KRWDZBQOSA-N 1 0 373.478 3.859 20 5 FHBDRO Cc1nn(C)c(NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000052245200 210061410 /nfs/dbraw/zinc/06/14/10/210061410.db2.gz HLIICLHBJPOTTR-CQSZACIVSA-N 1 0 357.458 3.623 20 5 FHBDRO Cc1ncc(CN2CC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3C)[C@H](C)C2)s1 ZINC000359971856 223140484 /nfs/dbraw/zinc/14/04/84/223140484.db2.gz DCZLWNWPSJPBMX-AUUYWEPGSA-N 1 0 374.510 3.668 20 5 FHBDRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000107565441 222397811 /nfs/dbraw/zinc/39/78/11/222397811.db2.gz OZKJNHPRTHNCGP-UHFFFAOYSA-N 1 0 367.449 3.757 20 5 FHBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000464653513 567885467 /nfs/dbraw/zinc/88/54/67/567885467.db2.gz SECBKKQNIYBPHG-HNNXBMFYSA-N 1 0 361.486 3.696 20 5 FHBDRO C[C@@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC[C@H]1[NH3+] ZINC000568149399 567942512 /nfs/dbraw/zinc/94/25/12/567942512.db2.gz KZKVYKCVHGOUPL-FZKQIMNGSA-N 1 0 371.462 3.555 20 5 FHBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000541834963 567955330 /nfs/dbraw/zinc/95/53/30/567955330.db2.gz UYBFNPXBIYHCQL-ZDUSSCGKSA-N 1 0 366.437 3.756 20 5 FHBDRO C[C@@H](CCc1ccccc1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602502593 567984088 /nfs/dbraw/zinc/98/40/88/567984088.db2.gz GHZJLXTXCYYVOV-INIZCTEOSA-N 1 0 354.454 3.570 20 5 FHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000481554636 568047044 /nfs/dbraw/zinc/04/70/44/568047044.db2.gz CFOBZPXPXZLSSK-LPHOPBHVSA-N 1 0 369.465 3.725 20 5 FHBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000481802256 568127538 /nfs/dbraw/zinc/12/75/38/568127538.db2.gz XCCNCXZEXYZGGW-AWEZNQCLSA-N 1 0 373.478 3.818 20 5 FHBDRO COc1ccc(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)cc1[N+](=O)[O-] ZINC000128751614 568247588 /nfs/dbraw/zinc/24/75/88/568247588.db2.gz PSCOVWFYQJDLBH-UHFFFAOYSA-N 1 0 369.421 3.760 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000541931849 568250645 /nfs/dbraw/zinc/25/06/45/568250645.db2.gz CSZAXYFAGQTOPU-QGZVFWFLSA-N 1 0 354.454 3.707 20 5 FHBDRO CCO[C@H]1C[C@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(CC)CC ZINC000482129971 568269559 /nfs/dbraw/zinc/26/95/59/568269559.db2.gz CZIOIKKJPPEHNI-HOTGVXAUSA-N 1 0 374.441 3.718 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000569268894 568323801 /nfs/dbraw/zinc/32/38/01/568323801.db2.gz NSKPKJXFCMNWIJ-BETUJISGSA-N 1 0 373.375 3.895 20 5 FHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000569298013 568344301 /nfs/dbraw/zinc/34/43/01/568344301.db2.gz NWHFQAFVSPINJL-ZWKOTPCHSA-N 1 0 356.422 3.562 20 5 FHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000569298010 568344354 /nfs/dbraw/zinc/34/43/54/568344354.db2.gz NWHFQAFVSPINJL-MSOLQXFVSA-N 1 0 356.422 3.562 20 5 FHBDRO CC(C)=CCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569512889 568404307 /nfs/dbraw/zinc/40/43/07/568404307.db2.gz IPKJTXFQNFIFLA-UHFFFAOYSA-N 1 0 360.195 3.645 20 5 FHBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000569875136 568433013 /nfs/dbraw/zinc/43/30/13/568433013.db2.gz HPUUUSHFYMOEMB-MRXNPFEDSA-N 1 0 371.412 3.860 20 5 FHBDRO C[C@@H]([NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000570502499 568488881 /nfs/dbraw/zinc/48/88/81/568488881.db2.gz DGSCEUWFUCNGSR-CHWSQXEVSA-N 1 0 359.392 3.908 20 5 FHBDRO Cc1c(NC(=O)CC[N@H+]2Cc3ccccc3OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000542012729 568503217 /nfs/dbraw/zinc/50/32/17/568503217.db2.gz KVEMOZBOVUTRBS-AWEZNQCLSA-N 1 0 369.421 3.515 20 5 FHBDRO CCC[C@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000821020703 607014236 /nfs/dbraw/zinc/01/42/36/607014236.db2.gz GUAOPJGPFNGVFG-ACJLOTCBSA-N 1 0 366.425 3.967 20 5 FHBDRO CCC[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000821021158 607086747 /nfs/dbraw/zinc/08/67/47/607086747.db2.gz LMWHQAXEDLUIOA-UGSOOPFHSA-N 1 0 366.425 3.967 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164626754 719072475 /nfs/dbraw/zinc/07/24/75/719072475.db2.gz PHEDDXDEBNGHOS-DOTOQJQBSA-N 1 0 372.856 3.744 20 5 FHBDRO Cc1cnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC001164992847 722192223 /nfs/dbraw/zinc/19/22/23/722192223.db2.gz BFLSODHNXDDRAT-FQEVSTJZSA-N 1 0 370.428 3.682 20 5 FHBDRO Cc1ccnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC001164993895 722195758 /nfs/dbraw/zinc/19/57/58/722195758.db2.gz IWCUIQWYSQVWQH-HXUWFJFHSA-N 1 0 370.428 3.682 20 5 FHBDRO Cc1cc(N2CCC([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)CC2)nc(C)n1 ZINC000162269374 936370053 /nfs/dbraw/zinc/37/00/53/936370053.db2.gz SPNQSOJMVOEYQB-OAHLLOKOSA-N 1 0 369.469 3.630 20 5 FHBDRO CSC1(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000583057397 937085040 /nfs/dbraw/zinc/08/50/40/937085040.db2.gz UTMWSZTYCMUFLI-UHFFFAOYSA-N 1 0 363.405 3.853 20 5 FHBDRO COc1cc(CN2CC[C@@](F)(c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000557691446 927324328 /nfs/dbraw/zinc/32/43/28/927324328.db2.gz GTFHEWFGHSPGCE-IBGZPJMESA-N 1 0 360.385 3.683 20 5 FHBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000175284315 927460049 /nfs/dbraw/zinc/46/00/49/927460049.db2.gz WVFCXWJCBDRNEA-MRXNPFEDSA-N 1 0 373.478 3.641 20 5 FHBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000246864279 927708225 /nfs/dbraw/zinc/70/82/25/927708225.db2.gz DLAYTOQKYZOFMA-HIFRSBDPSA-N 1 0 359.451 3.508 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]CCN3CCCC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000608835940 927817320 /nfs/dbraw/zinc/81/73/20/927817320.db2.gz AQZNEDWGTFKSIT-HNNXBMFYSA-N 1 0 373.453 3.827 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000430200119 927938797 /nfs/dbraw/zinc/93/87/97/927938797.db2.gz FQUXJAOUOWZFTJ-FQEVSTJZSA-N 1 0 354.406 3.625 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000430211293 928131150 /nfs/dbraw/zinc/13/11/50/928131150.db2.gz XMVAKLVRXJYKLP-HXUWFJFHSA-N 1 0 370.449 3.865 20 5 FHBDRO COc1cc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000302029574 928208624 /nfs/dbraw/zinc/20/86/24/928208624.db2.gz HZFQYOFSGLOKJM-HUUCEWRRSA-N 1 0 365.449 3.833 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000157569834 928266242 /nfs/dbraw/zinc/26/62/42/928266242.db2.gz OYLQYWCEMZHQRU-MRXNPFEDSA-N 1 0 359.470 3.712 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000157570001 928266589 /nfs/dbraw/zinc/26/65/89/928266589.db2.gz OYLQYWCEMZHQRU-INIZCTEOSA-N 1 0 359.470 3.712 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000430235165 928374098 /nfs/dbraw/zinc/37/40/98/928374098.db2.gz XUZSLEPXGVCRRQ-AEFFLSMTSA-N 1 0 364.348 3.501 20 5 FHBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000154184945 928380573 /nfs/dbraw/zinc/38/05/73/928380573.db2.gz COHFZRVTUFHCOW-UHFFFAOYSA-N 1 0 373.497 3.642 20 5 FHBDRO COCCOc1cccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000127059210 928456720 /nfs/dbraw/zinc/45/67/20/928456720.db2.gz FYDHNTMZRNFGAK-UHFFFAOYSA-N 1 0 356.422 3.785 20 5 FHBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000044410444 937270746 /nfs/dbraw/zinc/27/07/46/937270746.db2.gz WAFYWYUIMGSKGU-UHFFFAOYSA-N 1 0 363.439 3.629 20 5 FHBDRO CCCc1ccc([C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C(C)C)cc1 ZINC000535624482 929209936 /nfs/dbraw/zinc/20/99/36/929209936.db2.gz UUPQWBAYFVBNOT-FQEVSTJZSA-N 1 0 357.454 3.696 20 5 FHBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCCSCc3ccccc3)C2)nc1 ZINC000535624035 929216735 /nfs/dbraw/zinc/21/67/35/929216735.db2.gz IOYLWMQUHGKRQQ-KRWDZBQOSA-N 1 0 372.494 3.800 20 5 FHBDRO C[N@H+](CCc1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000091629712 937313270 /nfs/dbraw/zinc/31/32/70/937313270.db2.gz MORSKLZHYPLADY-UHFFFAOYSA-N 1 0 354.410 3.876 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000510944714 929551726 /nfs/dbraw/zinc/55/17/26/929551726.db2.gz KODRHOJMYBMWSB-DZGCQCFKSA-N 1 0 360.483 3.866 20 5 FHBDRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000023677908 929693054 /nfs/dbraw/zinc/69/30/54/929693054.db2.gz LGHXCVDRPYCYGQ-AEFFLSMTSA-N 1 0 364.829 3.729 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000548010742 929937165 /nfs/dbraw/zinc/93/71/65/929937165.db2.gz ZLMXMRYKPIIJSA-DOTOQJQBSA-N 1 0 354.454 3.987 20 5 FHBDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000155557221 929992736 /nfs/dbraw/zinc/99/27/36/929992736.db2.gz GBJRGILZEFTIKF-OAHLLOKOSA-N 1 0 373.478 3.671 20 5 FHBDRO Cc1ccc(C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C2CC2)o1 ZINC000164992636 930316680 /nfs/dbraw/zinc/31/66/80/930316680.db2.gz LCAUXTNHMLDLRJ-UHFFFAOYSA-N 1 0 357.410 3.798 20 5 FHBDRO CSc1ccc([C@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000580177282 930330577 /nfs/dbraw/zinc/33/05/77/930330577.db2.gz JDCUPUZWWZGSEU-SFHVURJKSA-N 1 0 373.478 3.658 20 5 FHBDRO CSc1ccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000471556916 930493817 /nfs/dbraw/zinc/49/38/17/930493817.db2.gz SDUFLZYCOSSFED-UGSOOPFHSA-N 1 0 373.478 3.738 20 5 FHBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000379651934 930497882 /nfs/dbraw/zinc/49/78/82/930497882.db2.gz VKWQTRBZGVPKQK-XLIONFOSSA-N 1 0 353.466 3.780 20 5 FHBDRO C[C@@H]([NH2+][C@@H](Cc1nccn1C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610422083 930498875 /nfs/dbraw/zinc/49/88/75/930498875.db2.gz XEULFMMEMJFTLS-BEFAXECRSA-N 1 0 350.422 3.963 20 5 FHBDRO C[NH+](C)CCc1ccccc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000275836482 930511732 /nfs/dbraw/zinc/51/17/32/930511732.db2.gz IZCKCRPBIAAQOB-UHFFFAOYSA-N 1 0 370.453 3.530 20 5 FHBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCOCC(F)F)cc1[N+](=O)[O-] ZINC000471559955 930517028 /nfs/dbraw/zinc/51/70/28/930517028.db2.gz ROVYXOPOFUOHBI-UHFFFAOYSA-N 1 0 365.380 3.734 20 5 FHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000177756278 930626004 /nfs/dbraw/zinc/62/60/04/930626004.db2.gz VZOROZYBZJHNPS-UONOGXRCSA-N 1 0 355.394 3.963 20 5 FHBDRO CCC[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000119104939 930674998 /nfs/dbraw/zinc/67/49/98/930674998.db2.gz ABKBIPHSUYUWHQ-LJQANCHMSA-N 1 0 355.438 3.684 20 5 FHBDRO Cc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000610445638 930809106 /nfs/dbraw/zinc/80/91/06/930809106.db2.gz AHGPHUXVPDKYGX-QGZVFWFLSA-N 1 0 367.449 3.640 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)c1 ZINC000610446420 930818687 /nfs/dbraw/zinc/81/86/87/930818687.db2.gz YKNMJNRITMVULC-QGZVFWFLSA-N 1 0 367.449 3.640 20 5 FHBDRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000261980548 930974391 /nfs/dbraw/zinc/97/43/91/930974391.db2.gz CPKCXFVWIXIWMF-UHFFFAOYSA-N 1 0 372.406 3.517 20 5 FHBDRO Cc1c([C@H](C)[NH2+]Cc2ccccc2Cn2cccn2)cccc1[N+](=O)[O-] ZINC000119260083 930975498 /nfs/dbraw/zinc/97/54/98/930975498.db2.gz KYPGVMDDMCCWGU-INIZCTEOSA-N 1 0 350.422 3.999 20 5 FHBDRO CC[C@H](NC(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090684561 931476434 /nfs/dbraw/zinc/47/64/34/931476434.db2.gz UBBQBIXIRMBKMY-BEFAXECRSA-N 1 0 374.485 3.704 20 5 FHBDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000126347576 931758237 /nfs/dbraw/zinc/75/82/37/931758237.db2.gz VGHGAOCPJLWQJI-ZIAGYGMSSA-N 1 0 373.478 3.985 20 5 FHBDRO COc1cc(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)c([N+](=O)[O-])cc1OC ZINC000510398386 931906035 /nfs/dbraw/zinc/90/60/35/931906035.db2.gz XZPNESKMVAWSBR-QGZVFWFLSA-N 1 0 374.412 3.958 20 5 FHBDRO Cc1cc2c(s1)N(c1nccnc1[N+](=O)[O-])c1ccccc1NC2=N ZINC001167457119 931939210 /nfs/dbraw/zinc/93/92/10/931939210.db2.gz SGATWLCHQSLTSM-UHFFFAOYSA-N 1 0 352.379 3.575 20 5 FHBDRO Cn1ccnc1C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000610272692 931944427 /nfs/dbraw/zinc/94/44/27/931944427.db2.gz DSGFKOWAIGTBAX-ABMFHFBKSA-N 1 0 362.433 3.915 20 5 FHBDRO C[C@@H]([NH2+][C@H](CO)c1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000933249211 931974600 /nfs/dbraw/zinc/97/46/00/931974600.db2.gz WVUANGSRQDWHHY-BDJLRTHQSA-N 1 0 354.328 3.998 20 5 FHBDRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000178018284 932106162 /nfs/dbraw/zinc/10/61/62/932106162.db2.gz JQGFMGQUJMMYAL-NSHDSACASA-N 1 0 357.838 3.593 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000477282041 932439988 /nfs/dbraw/zinc/43/99/88/932439988.db2.gz WIXQQJYBPVVIAP-HXUWFJFHSA-N 1 0 367.449 3.544 20 5 FHBDRO Cc1cnc(CC[N@@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000157420562 932511118 /nfs/dbraw/zinc/51/11/18/932511118.db2.gz IYTCBANEGNALIN-LBPRGKRZSA-N 1 0 373.438 3.645 20 5 FHBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000558969568 932521752 /nfs/dbraw/zinc/52/17/52/932521752.db2.gz HYQOZAAYHHMLPV-MOPGFXCFSA-N 1 0 368.433 3.909 20 5 FHBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000178202562 932842152 /nfs/dbraw/zinc/84/21/52/932842152.db2.gz ILSDQKOJTFYRSJ-ZDUSSCGKSA-N 1 0 367.327 3.692 20 5 FHBDRO CCc1[nH]nc(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)c1[N+](=O)[O-] ZINC000561651230 933046112 /nfs/dbraw/zinc/04/61/12/933046112.db2.gz CDPPWZKPEPHJKW-UHFFFAOYSA-N 1 0 371.441 3.509 20 5 FHBDRO Cn1c2c(nc1[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000548350830 933070552 /nfs/dbraw/zinc/07/05/52/933070552.db2.gz ZXUMYOCTOGMUMQ-IBGZPJMESA-N 1 0 354.454 3.587 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000510517825 933182555 /nfs/dbraw/zinc/18/25/55/933182555.db2.gz LRHWCJNYPSEKKR-VURMDHGXSA-N 1 0 360.417 3.852 20 5 FHBDRO Cc1cc(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000510533897 933195318 /nfs/dbraw/zinc/19/53/18/933195318.db2.gz AVVVPDNXYDCSLT-KXBFYZLASA-N 1 0 355.438 3.633 20 5 FHBDRO O=[N+]([O-])c1ccc2oc(C[N@H+](Cc3cccc(O)c3)CC3CC3)nc2c1 ZINC000610581550 933308476 /nfs/dbraw/zinc/30/84/76/933308476.db2.gz SFBLTOIOKQSKAZ-UHFFFAOYSA-N 1 0 353.378 3.854 20 5 FHBDRO CN(C(=O)[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000430879221 933358181 /nfs/dbraw/zinc/35/81/81/933358181.db2.gz MXWBXLVXWVZGDG-PDFOZTTASA-N 1 0 365.433 3.593 20 5 FHBDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000610620873 933539623 /nfs/dbraw/zinc/53/96/23/933539623.db2.gz OXIARJIZHNPYOV-AWEZNQCLSA-N 1 0 359.426 3.829 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)C1CC1 ZINC000178365273 933576027 /nfs/dbraw/zinc/57/60/27/933576027.db2.gz ZUMPUNWZZKRBSR-MRXNPFEDSA-N 1 0 371.403 3.532 20 5 FHBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)C1 ZINC000247463496 933779849 /nfs/dbraw/zinc/77/98/49/933779849.db2.gz RFQGGYVNQZTLCE-SWLSCSKDSA-N 1 0 361.467 3.612 20 5 FHBDRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000466904950 934146483 /nfs/dbraw/zinc/14/64/83/934146483.db2.gz POIFFKFEXOBJIP-KRWDZBQOSA-N 1 0 366.417 3.856 20 5 FHBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000548488329 934160344 /nfs/dbraw/zinc/16/03/44/934160344.db2.gz NOXHDQUZOSTBOX-ZBFHGGJFSA-N 1 0 363.458 3.881 20 5 FHBDRO O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000610786724 934185614 /nfs/dbraw/zinc/18/56/14/934185614.db2.gz UBDCTZLRQDIXGU-IBGZPJMESA-N 1 0 355.438 3.617 20 5 FHBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000458196991 934383277 /nfs/dbraw/zinc/38/32/77/934383277.db2.gz FIKBLJCHKSIENR-UHFFFAOYSA-N 1 0 367.858 3.514 20 5 FHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000610799231 934436475 /nfs/dbraw/zinc/43/64/75/934436475.db2.gz FDZSZMORJCJTBU-HNNXBMFYSA-N 1 0 361.486 3.543 20 5 FHBDRO CC[C@@H]([NH2+]C[C@H](O)COc1c(C)cccc1C)c1cccc([N+](=O)[O-])c1 ZINC000610804523 934439907 /nfs/dbraw/zinc/43/99/07/934439907.db2.gz WZZJXCLZBGPERM-RBUKOAKNSA-N 1 0 358.438 3.692 20 5 FHBDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000510996778 934827423 /nfs/dbraw/zinc/82/74/23/934827423.db2.gz UOJRIXHUNXZIEQ-QGTPRVQTSA-N 1 0 354.454 3.707 20 5 FHBDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000510996776 934827586 /nfs/dbraw/zinc/82/75/86/934827586.db2.gz UOJRIXHUNXZIEQ-JLSDUUJJSA-N 1 0 354.454 3.707 20 5 FHBDRO C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000178489278 934837547 /nfs/dbraw/zinc/83/75/47/934837547.db2.gz HVYRWKRCTLTXOO-UONOGXRCSA-N 1 0 373.478 3.985 20 5 FHBDRO C[NH+](C)[C@@H]1CCCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000277258735 934849890 /nfs/dbraw/zinc/84/98/90/934849890.db2.gz QTIJEUAWODPAFM-GOSISDBHSA-N 1 0 350.462 3.862 20 5 FHBDRO CCc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1[N+](=O)[O-] ZINC000472029810 934855990 /nfs/dbraw/zinc/85/59/90/934855990.db2.gz NTWRFOHGYBSANV-UHFFFAOYSA-N 1 0 367.449 3.683 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cccn3)cc2)cc1[N+](=O)[O-] ZINC000178503250 934958917 /nfs/dbraw/zinc/95/89/17/934958917.db2.gz LYWQLSSSEFTSRV-MRXNPFEDSA-N 1 0 350.422 3.999 20 5 FHBDRO C[C@H](CCO)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000119637711 934960152 /nfs/dbraw/zinc/96/01/52/934960152.db2.gz NOCJGZGRRWPPNG-GFCCVEGCSA-N 1 0 350.802 3.901 20 5 FHBDRO CCN(CCC[NH+](CC)CC)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000472090049 934992626 /nfs/dbraw/zinc/99/26/26/934992626.db2.gz XYUFZEXUFKFARG-MRXNPFEDSA-N 1 0 364.490 3.728 20 5 FHBDRO COc1cc(C[N@@H+]2CC[C@H]3CCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000426526463 945081207 /nfs/dbraw/zinc/08/12/07/945081207.db2.gz SYTSXBMVNQLWHP-DGCLKSJQSA-N 1 0 356.369 3.622 20 5 FHBDRO CC(C)C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000539242814 935104564 /nfs/dbraw/zinc/10/45/64/935104564.db2.gz GEXHHNGAENFPED-LJQANCHMSA-N 1 0 367.449 3.861 20 5 FHBDRO CC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(C)cc1 ZINC000539257752 935117813 /nfs/dbraw/zinc/11/78/13/935117813.db2.gz YKHCNSXQSRGURP-SFHVURJKSA-N 1 0 353.422 3.533 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000539520896 935231852 /nfs/dbraw/zinc/23/18/52/935231852.db2.gz WJHRFUTXWWHGEW-OICCZTGUSA-N 1 0 366.339 3.950 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[N@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)cc1 ZINC000611575010 935246213 /nfs/dbraw/zinc/24/62/13/935246213.db2.gz BEEQBCICHYNTKY-QGZVFWFLSA-N 1 0 368.355 3.563 20 5 FHBDRO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(C)(C)C ZINC000582125093 935301108 /nfs/dbraw/zinc/30/11/08/935301108.db2.gz GNDRYHPCGZSXCC-LLVKDONJSA-N 1 0 362.455 3.681 20 5 FHBDRO O=[N+]([O-])c1cc(CN2CCCN(c3ccc(F)c(F)c3)CC2)cs1 ZINC000551736310 935335065 /nfs/dbraw/zinc/33/50/65/935335065.db2.gz AZPZQYWTYHOHCG-UHFFFAOYSA-N 1 0 353.394 3.647 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000511084809 935345041 /nfs/dbraw/zinc/34/50/41/935345041.db2.gz GJTNOMLCRNJTSA-INIZCTEOSA-N 1 0 359.451 3.532 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000511785138 945111324 /nfs/dbraw/zinc/11/13/24/945111324.db2.gz IYROCCUZXZUGIR-HSALFYBXSA-N 1 0 368.433 3.608 20 5 FHBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)c2C1 ZINC000158322801 935731682 /nfs/dbraw/zinc/73/16/82/935731682.db2.gz UWESBRJHWNHXJJ-UHFFFAOYSA-N 1 0 353.422 3.748 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCC([NH+]4CCCC4)CC3)o2)cc1 ZINC000127718293 935754325 /nfs/dbraw/zinc/75/43/25/935754325.db2.gz RLXUEUXMNQOVMU-UHFFFAOYSA-N 1 0 355.438 3.915 20 5 FHBDRO Cc1ccc2c(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])ccc(O)c2n1 ZINC000511145630 935787257 /nfs/dbraw/zinc/78/72/57/935787257.db2.gz WNDZYMZOCZGNOK-UHFFFAOYSA-N 1 0 351.406 3.832 20 5 FHBDRO Cn1c(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])nc2cccc(Cl)c21 ZINC000479411295 935837028 /nfs/dbraw/zinc/83/70/28/935837028.db2.gz ABKYZZZBVMOLAX-ALCCZGGFSA-N 1 0 356.813 3.938 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000158562471 935839748 /nfs/dbraw/zinc/83/97/48/935839748.db2.gz LJTUCBOGWHJXFE-CRAIPNDOSA-N 1 0 372.469 3.692 20 5 FHBDRO CCC[C@H]([NH2+][C@@H](C)C(=O)N1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000479534980 935855255 /nfs/dbraw/zinc/85/52/55/935855255.db2.gz YKWUDEOZHANTKQ-YWZLYKJASA-N 1 0 367.449 3.957 20 5 FHBDRO COc1ccc(OCC[N@@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC001167599145 935943670 /nfs/dbraw/zinc/94/36/70/935943670.db2.gz PMGROUILCMNQGY-YJBOKZPZSA-N 1 0 356.422 3.860 20 5 FHBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611708313 935950157 /nfs/dbraw/zinc/95/01/57/935950157.db2.gz BVOWKBDTEFRHCM-UHFFFAOYSA-N 1 0 365.437 3.626 20 5 FHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611709387 935957477 /nfs/dbraw/zinc/95/74/77/935957477.db2.gz PLNJUMQHRJNUBS-ZBFHGGJFSA-N 1 0 363.421 3.785 20 5 FHBDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178654800 936087161 /nfs/dbraw/zinc/08/71/61/936087161.db2.gz MPSVTKPARMDJNP-BLLLJJGKSA-N 1 0 359.813 3.704 20 5 FHBDRO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178679331 936169477 /nfs/dbraw/zinc/16/94/77/936169477.db2.gz HYJCQCYHSHJUEG-GJZGRUSLSA-N 1 0 371.437 3.898 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000178680235 936172349 /nfs/dbraw/zinc/17/23/49/936172349.db2.gz CYRLDHYZMQZRBC-VXGBXAGGSA-N 1 0 363.364 3.859 20 5 FHBDRO CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000178684160 936204955 /nfs/dbraw/zinc/20/49/55/936204955.db2.gz BOKRIIOFXFGYAJ-HOTGVXAUSA-N 1 0 355.438 3.995 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000178690576 936206992 /nfs/dbraw/zinc/20/69/92/936206992.db2.gz RIVMUVJABRSDDA-HUUCEWRRSA-N 1 0 373.428 3.740 20 5 FHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000135807760 936240439 /nfs/dbraw/zinc/24/04/39/936240439.db2.gz QZVCIMSHDRJTJU-UHFFFAOYSA-N 1 0 365.499 3.509 20 5 FHBDRO CC[N@@H+]1CCC[C@@H](CN(C)c2cc(C)ccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000509591456 945163290 /nfs/dbraw/zinc/16/32/90/945163290.db2.gz IXKVJDGHGFZMCH-OXJNMPFZSA-N 1 0 371.485 3.546 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCc3ccccn3)cs2)c1 ZINC000178933393 938316464 /nfs/dbraw/zinc/31/64/64/938316464.db2.gz FDKGCIASSLFWIG-UHFFFAOYSA-N 1 0 354.435 3.836 20 5 FHBDRO COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000052474153 938322723 /nfs/dbraw/zinc/32/27/23/938322723.db2.gz IIYWHHJKFONLTO-KRWDZBQOSA-N 1 0 356.426 3.638 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000246117127 938336682 /nfs/dbraw/zinc/33/66/82/938336682.db2.gz KUIIYTSRTHVXAH-IAGOWNOFSA-N 1 0 363.483 3.592 20 5 FHBDRO Cc1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000583721599 938375858 /nfs/dbraw/zinc/37/58/58/938375858.db2.gz GNHILKOVQPDIEA-LJQANCHMSA-N 1 0 356.422 3.573 20 5 FHBDRO C[C@H](C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000583787051 938408383 /nfs/dbraw/zinc/40/83/83/938408383.db2.gz YOLLNAGSLIFXNE-JEWRLFTDSA-N 1 0 359.470 3.562 20 5 FHBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000110932050 945176705 /nfs/dbraw/zinc/17/67/05/945176705.db2.gz PXFVHNJXNYEPGL-UHFFFAOYSA-N 1 0 360.845 3.664 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2COc3c(C)cccc3C2)cc1[N+](=O)[O-] ZINC000583964354 938508011 /nfs/dbraw/zinc/50/80/11/938508011.db2.gz GRSCHJYSLKFISK-RHSMWYFYSA-N 1 0 356.422 3.956 20 5 FHBDRO COc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC ZINC000278635381 938604843 /nfs/dbraw/zinc/60/48/43/938604843.db2.gz FURVYTXXUYIGEP-UHFFFAOYSA-N 1 0 370.327 3.921 20 5 FHBDRO CC[N@@H+](Cc1ccccc1Cl)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000106268964 945200805 /nfs/dbraw/zinc/20/08/05/945200805.db2.gz HFDGCEABSNQFKO-MRXNPFEDSA-N 1 0 364.829 3.510 20 5 FHBDRO Cc1cc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C(C)C)ccc1[N+](=O)[O-] ZINC000092655560 938917078 /nfs/dbraw/zinc/91/70/78/938917078.db2.gz ZQRULGVFKLUUJK-CYBMUJFWSA-N 1 0 361.471 3.694 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000179107435 938943824 /nfs/dbraw/zinc/94/38/24/938943824.db2.gz XKRXQROSUDNFSS-HXUWFJFHSA-N 1 0 353.422 3.973 20 5 FHBDRO Cn1ccnc1[C@@H](NCCc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000573273550 938963399 /nfs/dbraw/zinc/96/33/99/938963399.db2.gz MQYAWMFQQIFACC-SFHVURJKSA-N 1 0 372.375 3.528 20 5 FHBDRO Cc1cc(N[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611919004 938984864 /nfs/dbraw/zinc/98/48/64/938984864.db2.gz HABWUYNLVYEYMN-LLVKDONJSA-N 1 0 363.377 3.628 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCc4cccnc4CC3)c2c1 ZINC000515298191 939004149 /nfs/dbraw/zinc/00/41/49/939004149.db2.gz ONWWABKZNCGZKQ-INIZCTEOSA-N 1 0 350.422 3.551 20 5 FHBDRO O=[N+]([O-])c1ncccc1N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000612101927 939050393 /nfs/dbraw/zinc/05/03/93/939050393.db2.gz YRCYXRUGRZHCDR-KZNAEPCWSA-N 1 0 352.438 3.702 20 5 FHBDRO Cc1cc([C@@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(C)s1 ZINC000179373062 939098045 /nfs/dbraw/zinc/09/80/45/939098045.db2.gz FGLXEEQRVKZBGU-PXAZEXFGSA-N 1 0 359.451 3.729 20 5 FHBDRO Cc1cc([C@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(C)s1 ZINC000179373074 939098277 /nfs/dbraw/zinc/09/82/77/939098277.db2.gz FGLXEEQRVKZBGU-SJCJKPOMSA-N 1 0 359.451 3.729 20 5 FHBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000507449767 945244249 /nfs/dbraw/zinc/24/42/49/945244249.db2.gz IZRCDGJDZPWMEP-STQMWFEESA-N 1 0 367.877 3.735 20 5 FHBDRO COc1ccc([C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C(C)C)cc1 ZINC000516796594 945252779 /nfs/dbraw/zinc/25/27/79/945252779.db2.gz MIFUPSBDWFIHBM-IBGZPJMESA-N 1 0 354.410 3.967 20 5 FHBDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000548905919 939908290 /nfs/dbraw/zinc/90/82/90/939908290.db2.gz KMZRDHSZHPEFTF-UHFFFAOYSA-N 1 0 367.449 3.635 20 5 FHBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1N1CCOCC1 ZINC000179761798 939931470 /nfs/dbraw/zinc/93/14/70/939931470.db2.gz QIICPPXQRWWSLR-RMKNXTFCSA-N 1 0 367.449 3.577 20 5 FHBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000179774425 939933356 /nfs/dbraw/zinc/93/33/56/939933356.db2.gz JBBYWWSRHBXIAB-CQSZACIVSA-N 1 0 369.421 3.673 20 5 FHBDRO Cn1cc(C[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000136431475 939966207 /nfs/dbraw/zinc/96/62/07/939966207.db2.gz CJHMCOULUUYHTF-HBMCJLEFSA-N 1 0 374.444 3.671 20 5 FHBDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)c(C)o1 ZINC000093009329 939970058 /nfs/dbraw/zinc/97/00/58/939970058.db2.gz ARZZCCZLOMMJNG-UHFFFAOYSA-N 1 0 371.437 3.507 20 5 FHBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000065857468 939984676 /nfs/dbraw/zinc/98/46/76/939984676.db2.gz ULHYGKNMRQUYDU-HNNXBMFYSA-N 1 0 357.385 3.585 20 5 FHBDRO O=C(CNc1ccccc1[N+](=O)[O-])Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000065866599 939989248 /nfs/dbraw/zinc/98/92/48/939989248.db2.gz VXJBJLHCXQDVAW-UHFFFAOYSA-N 1 0 368.437 3.631 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000615034234 939989888 /nfs/dbraw/zinc/98/98/88/939989888.db2.gz SVCAHWNRJHAQBE-GOSISDBHSA-N 1 0 368.437 3.641 20 5 FHBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000411140525 940002322 /nfs/dbraw/zinc/00/23/22/940002322.db2.gz XNINBSOKNMMUKT-AWEZNQCLSA-N 1 0 357.410 3.625 20 5 FHBDRO C[C@@H]([NH2+]CCN1CCCC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000584474879 940008029 /nfs/dbraw/zinc/00/80/29/940008029.db2.gz LMIDOCKGRFQBTF-CYBMUJFWSA-N 1 0 359.451 3.596 20 5 FHBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000573334147 940036012 /nfs/dbraw/zinc/03/60/12/940036012.db2.gz ZYUOYPRGPSELCS-HXUWFJFHSA-N 1 0 368.433 3.657 20 5 FHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411491648 940053853 /nfs/dbraw/zinc/05/38/53/940053853.db2.gz BBBDGCZRIWHGSP-MKRDWBOCSA-N 1 0 371.481 3.562 20 5 FHBDRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411767551 940110243 /nfs/dbraw/zinc/11/02/43/940110243.db2.gz FWHQRRPQHKLVKZ-YNEHKIRRSA-N 1 0 373.375 3.975 20 5 FHBDRO COc1ccc(NC(=O)CC[NH2+]C(C)(C)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000411768003 940110289 /nfs/dbraw/zinc/11/02/89/940110289.db2.gz PEOKYCJDLGFNKP-UHFFFAOYSA-N 1 0 371.437 3.765 20 5 FHBDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000158935402 940114737 /nfs/dbraw/zinc/11/47/37/940114737.db2.gz RFRFXPPYVOOGAR-GDBMZVCRSA-N 1 0 371.437 3.542 20 5 FHBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000411896098 940151456 /nfs/dbraw/zinc/15/14/56/940151456.db2.gz VJCRBPIHOQMFNS-MRXNPFEDSA-N 1 0 357.410 3.673 20 5 FHBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000612591733 940166059 /nfs/dbraw/zinc/16/60/59/940166059.db2.gz YVGOTPNENQNECY-AWEZNQCLSA-N 1 0 365.499 3.698 20 5 FHBDRO COc1c(O)ccc(CN[C@H]2CCSc3c(F)cccc32)c1[N+](=O)[O-] ZINC000892508020 940206043 /nfs/dbraw/zinc/20/60/43/940206043.db2.gz IKLRQRBUVOCNHW-ZDUSSCGKSA-N 1 0 364.398 3.775 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000570470867 940319937 /nfs/dbraw/zinc/31/99/37/940319937.db2.gz OWXIASUAULSRBU-ZBFHGGJFSA-N 1 0 372.421 3.874 20 5 FHBDRO Cc1nn(C)c(C)c1CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180045465 940320505 /nfs/dbraw/zinc/32/05/05/940320505.db2.gz YSPNRVDOYSWKLY-NRFANRHFSA-N 1 0 364.449 3.867 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(c3ncccc3F)C1)CCCC2 ZINC000580412212 940474313 /nfs/dbraw/zinc/47/43/13/940474313.db2.gz HLMRMOAWBPUXKT-HNAYVOBHSA-N 1 0 370.428 3.765 20 5 FHBDRO COc1cc(OC)cc(OCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000581171500 940494744 /nfs/dbraw/zinc/49/47/44/940494744.db2.gz SXAQGPCZSPNJSR-FQEVSTJZSA-N 1 0 372.421 3.658 20 5 FHBDRO CC[N@H+](CCC(=O)OC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000511474982 940506362 /nfs/dbraw/zinc/50/63/62/940506362.db2.gz CUSRIHXJQFCIEM-UHFFFAOYSA-N 1 0 366.801 3.893 20 5 FHBDRO CCC[C@@H]([NH2+]C[C@H](CO)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000414174359 940711122 /nfs/dbraw/zinc/71/11/22/940711122.db2.gz HFEQCSUZTLUPKY-YLJYHZDGSA-N 1 0 358.438 3.810 20 5 FHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cnccc1C(C)(C)C ZINC000414233148 940809622 /nfs/dbraw/zinc/80/96/22/940809622.db2.gz RBIBKIPFFAWSNZ-CQSZACIVSA-N 1 0 370.453 3.794 20 5 FHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000180220573 940828980 /nfs/dbraw/zinc/82/89/80/940828980.db2.gz CSYSNZMEOHVXBX-KBPBESRZSA-N 1 0 365.499 3.650 20 5 FHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000180220538 940829024 /nfs/dbraw/zinc/82/90/24/940829024.db2.gz CSYSNZMEOHVXBX-UONOGXRCSA-N 1 0 365.499 3.650 20 5 FHBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000376389557 940899358 /nfs/dbraw/zinc/89/93/58/940899358.db2.gz XMESOZZRRGCTPB-CQSZACIVSA-N 1 0 371.462 3.618 20 5 FHBDRO CCC[N@H+](CC(=O)N(C)C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000511508483 940975575 /nfs/dbraw/zinc/97/55/75/940975575.db2.gz YIJFLUMLBSZXFN-UHFFFAOYSA-N 1 0 361.467 3.624 20 5 FHBDRO C[C@@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000180417941 941004863 /nfs/dbraw/zinc/00/48/63/941004863.db2.gz SZCOZUCOGWNZPW-JLTOFOAXSA-N 1 0 353.422 3.513 20 5 FHBDRO C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180403745 941005554 /nfs/dbraw/zinc/00/55/54/941005554.db2.gz QUPGMCYNJOVHPQ-ZIAGYGMSSA-N 1 0 359.401 3.604 20 5 FHBDRO CC(C)[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000180435499 941014277 /nfs/dbraw/zinc/01/42/77/941014277.db2.gz LYAOFONAUSXDHH-YWZLYKJASA-N 1 0 355.438 3.759 20 5 FHBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180438934 941014739 /nfs/dbraw/zinc/01/47/39/941014739.db2.gz GTCUWBWLRMQTMS-LLVKDONJSA-N 1 0 367.327 3.903 20 5 FHBDRO CCN(C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(F)cc1 ZINC000180446797 941017991 /nfs/dbraw/zinc/01/79/91/941017991.db2.gz OWIGCYAXZYAWJL-CABCVRRESA-N 1 0 373.428 3.994 20 5 FHBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H](O)Cc2ccccc2)c2ccccc2)c1 ZINC000180471457 941019729 /nfs/dbraw/zinc/01/97/29/941019729.db2.gz XLBRUAXEBFACSV-FCHUYYIVSA-N 1 0 362.429 3.877 20 5 FHBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2CCN(c3ccccn3)C2)c2ccccc2)c1 ZINC000181012421 941102947 /nfs/dbraw/zinc/10/29/47/941102947.db2.gz CPMOOALNSODZQJ-SIKLNZKXSA-N 1 0 374.444 3.948 20 5 FHBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000311249057 941152457 /nfs/dbraw/zinc/15/24/57/941152457.db2.gz VNFLQWPNDDLBSY-ZBFHGGJFSA-N 1 0 363.458 3.720 20 5 FHBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000189510516 941159467 /nfs/dbraw/zinc/15/94/67/941159467.db2.gz RNLBEVNBXPETGG-HUUCEWRRSA-N 1 0 371.890 3.841 20 5 FHBDRO C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181455665 941288367 /nfs/dbraw/zinc/28/83/67/941288367.db2.gz IYPMSRBLOHOCFS-CHWSQXEVSA-N 1 0 365.861 3.631 20 5 FHBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000311455055 941298896 /nfs/dbraw/zinc/29/88/96/941298896.db2.gz BVBICUAANYQSMR-INIZCTEOSA-N 1 0 363.458 3.720 20 5 FHBDRO COc1cc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000311543027 941323658 /nfs/dbraw/zinc/32/36/58/941323658.db2.gz UIFXNHFOJVJIGN-QGZVFWFLSA-N 1 0 355.438 3.928 20 5 FHBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000472639002 941349456 /nfs/dbraw/zinc/34/94/56/941349456.db2.gz SDLOGXUTJAGTOO-CGTJXYLNSA-N 1 0 367.449 3.923 20 5 FHBDRO CC(=O)c1ccc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000311684175 941360147 /nfs/dbraw/zinc/36/01/47/941360147.db2.gz JGEREOGQGVLVKL-SFHVURJKSA-N 1 0 353.422 3.508 20 5 FHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2ccc3c(c2)CCCN3)c1 ZINC000414968369 941527660 /nfs/dbraw/zinc/52/76/60/941527660.db2.gz CIWRQJGHUFBZSY-UHFFFAOYSA-N 1 0 363.364 3.844 20 5 FHBDRO [NH3+]CC[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(F)(F)F ZINC000415048007 941564895 /nfs/dbraw/zinc/56/48/95/941564895.db2.gz BNPZNQISPYIWJB-AWEZNQCLSA-N 1 0 359.373 3.693 20 5 FHBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415183909 941657909 /nfs/dbraw/zinc/65/79/09/941657909.db2.gz CQDWNKQUSCWMPQ-UONOGXRCSA-N 1 0 370.409 3.601 20 5 FHBDRO C[C@H]1C[C@@H](NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC[NH2+]1 ZINC000415199721 941669579 /nfs/dbraw/zinc/66/95/79/941669579.db2.gz WHJOTRRGXDMQHR-ZFWWWQNUSA-N 1 0 370.409 3.649 20 5 FHBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(c3c[nH]c4ncccc34)CC2)c1 ZINC000120668567 941761589 /nfs/dbraw/zinc/76/15/89/941761589.db2.gz IIHLXQLLZVLHLN-UHFFFAOYSA-N 1 0 366.421 3.730 20 5 FHBDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000513187492 941777642 /nfs/dbraw/zinc/77/76/42/941777642.db2.gz BNXWGZFTKDREDI-HYVNUMGLSA-N 1 0 353.422 3.848 20 5 FHBDRO Cc1ccc(C2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000542134753 941790920 /nfs/dbraw/zinc/79/09/20/941790920.db2.gz QXFKNZIAERFVHJ-UHFFFAOYSA-N 1 0 368.437 3.506 20 5 FHBDRO C[C@H]1C[C@H](c2ccccc2)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000513227764 941798103 /nfs/dbraw/zinc/79/81/03/941798103.db2.gz GCJYSBJXAKLWDX-MGPUTAFESA-N 1 0 365.433 3.567 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000513275779 941826159 /nfs/dbraw/zinc/82/61/59/941826159.db2.gz KCCOKIHWRSJJKU-IFXJQAMLSA-N 1 0 353.422 3.925 20 5 FHBDRO CCCCN(C)C(=O)C1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182664064 941950417 /nfs/dbraw/zinc/95/04/17/941950417.db2.gz OFFXZHKMKDFQQG-INIZCTEOSA-N 1 0 361.486 3.935 20 5 FHBDRO COc1ccccc1-n1nccc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000430019629 941988994 /nfs/dbraw/zinc/98/89/94/941988994.db2.gz HUFPBOJVIIWPIA-HNNXBMFYSA-N 1 0 366.421 3.948 20 5 FHBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000513543328 942004187 /nfs/dbraw/zinc/00/41/87/942004187.db2.gz RNPLEADGOOVNSE-NHYWBVRUSA-N 1 0 364.377 3.578 20 5 FHBDRO Cc1c(CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000412292623 942072178 /nfs/dbraw/zinc/07/21/78/942072178.db2.gz QFLIKMHFNFKXKL-UHFFFAOYSA-N 1 0 367.449 3.819 20 5 FHBDRO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000616362957 942170080 /nfs/dbraw/zinc/17/00/80/942170080.db2.gz HYIQRODJLRRUHC-YMTOWFKASA-N 1 0 360.357 3.897 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000103266283 942239763 /nfs/dbraw/zinc/23/97/63/942239763.db2.gz PIWUYWLBSGDVHY-YOEHRIQHSA-N 1 0 361.442 3.587 20 5 FHBDRO CCCC[N@H+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413061984 942247817 /nfs/dbraw/zinc/24/78/17/942247817.db2.gz AMKVNIZOFGUZQG-UHFFFAOYSA-N 1 0 374.407 3.957 20 5 FHBDRO O=[N+]([O-])c1ccc2ccnc(NCC[N@@H+]3CCc4sccc4C3)c2c1 ZINC000413072767 942259776 /nfs/dbraw/zinc/25/97/76/942259776.db2.gz NTDFKMOEVQDGOL-UHFFFAOYSA-N 1 0 354.435 3.675 20 5 FHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413075089 942259834 /nfs/dbraw/zinc/25/98/34/942259834.db2.gz KEQCRHXGWCFCEW-DAYGRLMNSA-N 1 0 354.454 3.985 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420955618 942275316 /nfs/dbraw/zinc/27/53/16/942275316.db2.gz WRGAUXNDMODLAX-CYBMUJFWSA-N 1 0 373.375 3.896 20 5 FHBDRO O=[N+]([O-])c1ccc2ccnc(Nc3cccc(CN4CCOCC4)c3)c2c1 ZINC000413093961 942284224 /nfs/dbraw/zinc/28/42/24/942284224.db2.gz JVWFMNZMLYDHEY-UHFFFAOYSA-N 1 0 364.405 3.719 20 5 FHBDRO O=C(CC[NH2+][C@@H](CC(F)F)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420997271 942295481 /nfs/dbraw/zinc/29/54/81/942295481.db2.gz RQDWCLZWZYJIFT-INIZCTEOSA-N 1 0 363.364 3.910 20 5 FHBDRO O=C(CC[NH2+][C@H](CC(F)F)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420997272 942295575 /nfs/dbraw/zinc/29/55/75/942295575.db2.gz RQDWCLZWZYJIFT-MRXNPFEDSA-N 1 0 363.364 3.910 20 5 FHBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1ccc(C3CCC3)cc1)OCCO2 ZINC000617267997 942313273 /nfs/dbraw/zinc/31/32/73/942313273.db2.gz LHWGMRKVOLSDSO-UHFFFAOYSA-N 1 0 354.406 3.923 20 5 FHBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(O)c1 ZINC000181581622 942341932 /nfs/dbraw/zinc/34/19/32/942341932.db2.gz SHISUKSRBWOGEL-MNOVXSKESA-N 1 0 363.801 3.632 20 5 FHBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000501209742 942352545 /nfs/dbraw/zinc/35/25/45/942352545.db2.gz PHFLYNZZYCFQDM-GFCCVEGCSA-N 1 0 373.375 3.608 20 5 FHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000502339464 942369390 /nfs/dbraw/zinc/36/93/90/942369390.db2.gz JFYQKMUXCIYKEF-OLZOCXBDSA-N 1 0 355.385 3.727 20 5 FHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000502339463 942369486 /nfs/dbraw/zinc/36/94/86/942369486.db2.gz JFYQKMUXCIYKEF-CHWSQXEVSA-N 1 0 355.385 3.727 20 5 FHBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000366804111 942384797 /nfs/dbraw/zinc/38/47/97/942384797.db2.gz IJLFGDNUIGQSEW-LJQANCHMSA-N 1 0 367.449 3.722 20 5 FHBDRO Cn1cc(C[NH2+]C[C@H]2CCC(F)(F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000430044847 942392923 /nfs/dbraw/zinc/39/29/23/942392923.db2.gz WRJFNDCEMMWIFP-LBPRGKRZSA-N 1 0 350.369 3.520 20 5 FHBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000502407800 942411981 /nfs/dbraw/zinc/41/19/81/942411981.db2.gz PRLCCFPXKFVBFV-UHFFFAOYSA-N 1 0 369.465 3.508 20 5 FHBDRO COc1cc(C)c(C[C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000502411424 942415568 /nfs/dbraw/zinc/41/55/68/942415568.db2.gz ABSGUZXXGWDAMC-HNNXBMFYSA-N 1 0 358.438 3.684 20 5 FHBDRO O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(C[NH+]2CCCCC2)c1 ZINC000413646012 942447755 /nfs/dbraw/zinc/44/77/55/942447755.db2.gz DTYSEMSVGZPNHN-UHFFFAOYSA-N 1 0 355.394 3.539 20 5 FHBDRO CC(C)[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(F)cc1 ZINC000502504150 942482133 /nfs/dbraw/zinc/48/21/33/942482133.db2.gz YTMWFHKIXLNLKH-RBUKOAKNSA-N 1 0 371.412 3.826 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425035240 942511836 /nfs/dbraw/zinc/51/18/36/942511836.db2.gz HLJDKGVMZUIPLG-UHFFFAOYSA-N 1 0 374.466 3.769 20 5 FHBDRO CSc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000501560444 942550059 /nfs/dbraw/zinc/55/00/59/942550059.db2.gz IMJUQDJXIYHCCD-CYBMUJFWSA-N 1 0 359.451 3.914 20 5 FHBDRO CC[NH2+]Cc1ccccc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000237075868 942554426 /nfs/dbraw/zinc/55/44/26/942554426.db2.gz GSYOXXFUVDPOSB-ZDUSSCGKSA-N 1 0 359.451 3.824 20 5 FHBDRO COc1cccc([C@H]2[C@H](Nc3ncc([N+](=O)[O-])cc3F)CC[N@@H+]2C2CC2)c1 ZINC000413246423 942560890 /nfs/dbraw/zinc/56/08/90/942560890.db2.gz ZNDRTHQCHVRMNN-MSOLQXFVSA-N 1 0 372.400 3.527 20 5 FHBDRO CC[N@H+](CCNc1nccc2ccc([N+](=O)[O-])cc21)CCC(F)(F)F ZINC000413257387 942568293 /nfs/dbraw/zinc/56/82/93/942568293.db2.gz FHOJYNDLXVOWPC-UHFFFAOYSA-N 1 0 356.348 3.829 20 5 FHBDRO C[NH+](C)CCc1ccc(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000413255097 942568404 /nfs/dbraw/zinc/56/84/04/942568404.db2.gz FYVGCRMLYRQTJL-UHFFFAOYSA-N 1 0 368.359 3.725 20 5 FHBDRO O=[N+]([O-])c1ccc2ccnc(NC3CC[NH+](Cc4cccnc4)CC3)c2c1 ZINC000413258107 942569590 /nfs/dbraw/zinc/56/95/90/942569590.db2.gz DQRHFFZFFSJUDN-UHFFFAOYSA-N 1 0 363.421 3.615 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000421438040 942573574 /nfs/dbraw/zinc/57/35/74/942573574.db2.gz UCMAAQUKEQAAFU-QGZVFWFLSA-N 1 0 365.433 3.836 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CCC([C@H]3CCC[NH2+]3)CC2)nc1-c1ccccc1 ZINC000420211751 942575823 /nfs/dbraw/zinc/57/58/23/942575823.db2.gz FTLISZZZCNIPAN-QGZVFWFLSA-N 1 0 352.438 3.625 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1CN(C)CCOc1cccc(Cl)c1 ZINC000016421736 942598298 /nfs/dbraw/zinc/59/82/98/942598298.db2.gz QPDXGDVWIYRISS-UHFFFAOYSA-N 1 0 350.802 3.768 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000421513721 942619302 /nfs/dbraw/zinc/61/93/02/942619302.db2.gz QINGJXPUDQUMPO-CVEARBPZSA-N 1 0 359.470 3.594 20 5 FHBDRO COc1c(O)ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c1[N+](=O)[O-] ZINC000893223172 942708198 /nfs/dbraw/zinc/70/81/98/942708198.db2.gz XRWIVPQEMKLYBK-YOEHRIQHSA-N 1 0 372.421 3.567 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000063492133 942708454 /nfs/dbraw/zinc/70/84/54/942708454.db2.gz KNDIJPAEFJUXCE-IBGZPJMESA-N 1 0 353.422 3.851 20 5 FHBDRO C[C@H]([NH2+][C@@H](c1ccccn1)C1CCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000378466756 942796396 /nfs/dbraw/zinc/79/63/96/942796396.db2.gz MMILVWBCOUHMFW-IFXJQAMLSA-N 1 0 368.437 3.838 20 5 FHBDRO Cc1ccccc1[C@]1(F)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000502874617 942806343 /nfs/dbraw/zinc/80/63/43/942806343.db2.gz HZVQJTKRIFVAKV-FQEVSTJZSA-N 1 0 371.412 3.803 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C(=O)Nc2cccnc2)CC1 ZINC000378510005 942837493 /nfs/dbraw/zinc/83/74/93/942837493.db2.gz YWUJAJMKQBUHBV-HNNXBMFYSA-N 1 0 368.437 3.710 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC000378505597 942840788 /nfs/dbraw/zinc/84/07/88/942840788.db2.gz DMWBZUTYNNSGRM-KRWDZBQOSA-N 1 0 368.481 3.956 20 5 FHBDRO C[C@H]([NH2+]CC1(CC(N)=O)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000421854822 942848592 /nfs/dbraw/zinc/84/85/92/942848592.db2.gz LCJNCQHYZLCYDI-LBPRGKRZSA-N 1 0 359.451 3.630 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000514244760 942859646 /nfs/dbraw/zinc/85/96/46/942859646.db2.gz MWILGHHCIBSMCY-UHFFFAOYSA-N 1 0 355.438 3.544 20 5 FHBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000502996707 942898743 /nfs/dbraw/zinc/89/87/43/942898743.db2.gz GLGROMIJXPSGFB-QGZVFWFLSA-N 1 0 374.485 3.554 20 5 FHBDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000434892329 943022425 /nfs/dbraw/zinc/02/24/25/943022425.db2.gz QJXMTNJSLLAQLB-XPGWFJOJSA-N 1 0 365.433 3.578 20 5 FHBDRO C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505574832 943063366 /nfs/dbraw/zinc/06/33/66/943063366.db2.gz LUULZZUTCKPPDD-KXBFYZLASA-N 1 0 369.465 3.680 20 5 FHBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000473008985 943065787 /nfs/dbraw/zinc/06/57/87/943065787.db2.gz LRSVUBGWAYKPAA-UHFFFAOYSA-N 1 0 353.488 3.511 20 5 FHBDRO CC(C)c1ccc(C[N@H+](C)C2CCN(c3cnccn3)CC2)cc1[N+](=O)[O-] ZINC000435054054 943126546 /nfs/dbraw/zinc/12/65/46/943126546.db2.gz AAZVSYPCYPVUOR-UHFFFAOYSA-N 1 0 369.469 3.609 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@H+]2CCC[C@H](O)C2)cc1 ZINC000435057965 943129990 /nfs/dbraw/zinc/12/99/90/943129990.db2.gz RAIBPUSXOAGERH-HNNXBMFYSA-N 1 0 362.813 3.997 20 5 FHBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503380813 943157474 /nfs/dbraw/zinc/15/74/74/943157474.db2.gz WJBFINNJOUQVBT-AWEZNQCLSA-N 1 0 358.417 3.646 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000503419930 943175552 /nfs/dbraw/zinc/17/55/52/943175552.db2.gz PVZNOVOZRUAMSL-ZIAGYGMSSA-N 1 0 365.499 3.700 20 5 FHBDRO CCn1nc(C)c([N+](=O)[O-])c1S[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000425285700 943190564 /nfs/dbraw/zinc/19/05/64/943190564.db2.gz TYUSAFHVCZQYHZ-MRXNPFEDSA-N 1 0 360.483 3.876 20 5 FHBDRO CCS[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000503455479 943191911 /nfs/dbraw/zinc/19/19/11/943191911.db2.gz UFLQXNSWKWEPHI-COLVAYQJSA-N 1 0 371.890 3.839 20 5 FHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1c2ccccc2C[C@H]1C[NH3+] ZINC000422627491 943211691 /nfs/dbraw/zinc/21/16/91/943211691.db2.gz OXQRVDYPACMFJQ-HNNXBMFYSA-N 1 0 371.462 3.626 20 5 FHBDRO C[C@H](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000473018022 943281762 /nfs/dbraw/zinc/28/17/62/943281762.db2.gz UTFIWVKWSPLVBY-OAHLLOKOSA-N 1 0 356.426 3.627 20 5 FHBDRO C[C@@H](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000473018021 943281919 /nfs/dbraw/zinc/28/19/19/943281919.db2.gz UTFIWVKWSPLVBY-HNNXBMFYSA-N 1 0 356.426 3.627 20 5 FHBDRO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000435379937 943369660 /nfs/dbraw/zinc/36/96/60/943369660.db2.gz LNKJOWXEWQBFEJ-DZGCQCFKSA-N 1 0 359.401 3.695 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[N@H+](Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)cc1 ZINC000566428669 943382612 /nfs/dbraw/zinc/38/26/12/943382612.db2.gz IPTOWFBOZVOKLJ-KESTWPANSA-N 1 0 370.449 3.649 20 5 FHBDRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549464844 943393265 /nfs/dbraw/zinc/39/32/65/943393265.db2.gz IAOINPZMXWPODT-CQSZACIVSA-N 1 0 359.392 3.920 20 5 FHBDRO CC(C)[NH+]1CCC(N(C)Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425393939 943497778 /nfs/dbraw/zinc/49/77/78/943497778.db2.gz JYRGBOWXDLIPCT-UHFFFAOYSA-N 1 0 370.291 3.662 20 5 FHBDRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)[C@H]1n1cccn1 ZINC000417346920 943526749 /nfs/dbraw/zinc/52/67/49/943526749.db2.gz GEYFQJIXPCRUHN-VNTMZGSJSA-N 1 0 370.453 3.567 20 5 FHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[NH+](C(C)C)C(C)C)c1 ZINC000504181401 943531122 /nfs/dbraw/zinc/53/11/22/943531122.db2.gz CDPANPJBIMTOJI-UHFFFAOYSA-N 1 0 353.488 3.508 20 5 FHBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC[C@H]21 ZINC000549470553 943579866 /nfs/dbraw/zinc/57/98/66/943579866.db2.gz AAIQPXGRUGGXCN-MLGOLLRUSA-N 1 0 357.376 3.530 20 5 FHBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000423740664 943613723 /nfs/dbraw/zinc/61/37/23/943613723.db2.gz JGYOJFXKRBTONJ-KGLIPLIRSA-N 1 0 371.462 3.603 20 5 FHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000516933029 943843049 /nfs/dbraw/zinc/84/30/49/943843049.db2.gz MRIRXUSZXFUFDH-LCYFTJDESA-N 1 0 357.376 3.614 20 5 FHBDRO C[C@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000424336161 943851553 /nfs/dbraw/zinc/85/15/53/943851553.db2.gz YLZNBSKWNXHXDE-UONOGXRCSA-N 1 0 373.478 3.842 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000504893323 943892101 /nfs/dbraw/zinc/89/21/01/943892101.db2.gz DNGDXPJHNLZHKS-HOCLYGCPSA-N 1 0 363.483 3.951 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000504893324 943892150 /nfs/dbraw/zinc/89/21/50/943892150.db2.gz DNGDXPJHNLZHKS-ZBFHGGJFSA-N 1 0 363.483 3.951 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]CCc2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000504899817 943896905 /nfs/dbraw/zinc/89/69/05/943896905.db2.gz MOIRAARFKVMCTE-AWEZNQCLSA-N 1 0 356.422 3.822 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(CO)c(F)c1 ZINC000504899543 943897096 /nfs/dbraw/zinc/89/70/96/943897096.db2.gz IKDSOCJKADLZSQ-HNNXBMFYSA-N 1 0 364.442 3.887 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)COCC(F)(F)F)cc1[N+](=O)[O-] ZINC000504922059 943900758 /nfs/dbraw/zinc/90/07/58/943900758.db2.gz XDPJDMLXGSJJAB-GHMZBOCLSA-N 1 0 350.337 3.612 20 5 FHBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425428828 943901397 /nfs/dbraw/zinc/90/13/97/943901397.db2.gz YCVOZBOQNIACOV-ZDUSSCGKSA-N 1 0 370.291 3.521 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](COC)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000504926990 943925017 /nfs/dbraw/zinc/92/50/17/943925017.db2.gz MAGXYZXSOKATFB-CRAIPNDOSA-N 1 0 358.438 3.902 20 5 FHBDRO COC(=O)[C@H](CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000425445310 943939970 /nfs/dbraw/zinc/93/99/70/943939970.db2.gz MQAWFZIDVXUNSG-MRXNPFEDSA-N 1 0 356.422 3.766 20 5 FHBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000436227215 944116697 /nfs/dbraw/zinc/11/66/97/944116697.db2.gz KRXQMISMJHRQNC-MRXNPFEDSA-N 1 0 370.453 3.603 20 5 FHBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000566581040 944162946 /nfs/dbraw/zinc/16/29/46/944162946.db2.gz HIJIPALOKIGFIP-UHFFFAOYSA-N 1 0 357.458 3.718 20 5 FHBDRO CC(C)(C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1(O)CCOCC1 ZINC000418126590 944186155 /nfs/dbraw/zinc/18/61/55/944186155.db2.gz LXEDSJIZYIBFCV-UHFFFAOYSA-N 1 0 374.437 3.512 20 5 FHBDRO C[C@@]1(c2ccccc2)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000500172364 944210881 /nfs/dbraw/zinc/21/08/81/944210881.db2.gz MRVYCPQHKYZAPE-OAQYLSRUSA-N 1 0 367.449 3.977 20 5 FHBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(F)c1 ZINC000518336047 944283349 /nfs/dbraw/zinc/28/33/49/944283349.db2.gz OZHKIBZPKFHQFI-VQIMIIECSA-N 1 0 370.428 3.620 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000506474871 944289279 /nfs/dbraw/zinc/28/92/79/944289279.db2.gz QFVABSOISYKOPI-ZWKOTPCHSA-N 1 0 361.486 3.560 20 5 FHBDRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1)C(C)C ZINC000133867077 944312369 /nfs/dbraw/zinc/31/23/69/944312369.db2.gz DGLZUSJPNYNSON-UHFFFAOYSA-N 1 0 356.426 3.781 20 5 FHBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCCCCOc3ccccc3)C2)nc1 ZINC000438099678 944340154 /nfs/dbraw/zinc/34/01/54/944340154.db2.gz XIJZTHDGWFBGHM-KRWDZBQOSA-N 1 0 370.453 3.725 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000506487098 944347539 /nfs/dbraw/zinc/34/75/39/944347539.db2.gz NLYHYLRDZRUAMQ-AWEZNQCLSA-N 1 0 365.499 3.511 20 5 FHBDRO Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000140075827 944365076 /nfs/dbraw/zinc/36/50/76/944365076.db2.gz GGLNQLKCDTXGBW-HNNXBMFYSA-N 1 0 373.478 3.607 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3ccc4c(c3)OCO4)o2)cc1 ZINC000517541165 944371210 /nfs/dbraw/zinc/37/12/10/944371210.db2.gz WLVGXDBXAGUOGM-UHFFFAOYSA-N 1 0 366.373 3.916 20 5 FHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000426293033 944388265 /nfs/dbraw/zinc/38/82/65/944388265.db2.gz GMRUKAHOVKZDBA-NVXWUHKLSA-N 1 0 357.429 3.924 20 5 FHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000426293031 944388644 /nfs/dbraw/zinc/38/86/44/944388644.db2.gz GMRUKAHOVKZDBA-DOTOQJQBSA-N 1 0 357.429 3.924 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000123846677 944444808 /nfs/dbraw/zinc/44/48/08/944444808.db2.gz VHOIUGLSQDCHDC-WBVHZDCISA-N 1 0 359.470 3.735 20 5 FHBDRO COc1cc(C[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000505859013 944507626 /nfs/dbraw/zinc/50/76/26/944507626.db2.gz OCVKXUDRMNZDAS-UHFFFAOYSA-N 1 0 362.348 3.776 20 5 FHBDRO C[C@H]1C[C@@H](c2ccccc2)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000439315547 944521377 /nfs/dbraw/zinc/52/13/77/944521377.db2.gz JKCJOVRDEKBADC-RDJZCZTQSA-N 1 0 353.422 3.801 20 5 FHBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000543578745 944534690 /nfs/dbraw/zinc/53/46/90/944534690.db2.gz XMNQFZCGKIBDFH-CQSZACIVSA-N 1 0 365.499 3.557 20 5 FHBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1O ZINC000438367852 944538696 /nfs/dbraw/zinc/53/86/96/944538696.db2.gz XWSMXYDHOWTQGT-NVXWUHKLSA-N 1 0 356.422 3.810 20 5 FHBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCCCOc3ccccc3)CC2)n1 ZINC000426002125 944582839 /nfs/dbraw/zinc/58/28/39/944582839.db2.gz NYOBNGYFPLULPL-UHFFFAOYSA-N 1 0 358.442 3.678 20 5 FHBDRO Cn1cc(C[NH2+]C[C@H]2CCCC(F)(F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000500353957 944605830 /nfs/dbraw/zinc/60/58/30/944605830.db2.gz FLOPCJIGSKKMHI-ZDUSSCGKSA-N 1 0 364.396 3.910 20 5 FHBDRO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000311308708 944627344 /nfs/dbraw/zinc/62/73/44/944627344.db2.gz WHWCVNMMPSGQOJ-CABCVRRESA-N 1 0 363.458 3.893 20 5 FHBDRO C[C@@H]1CN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000505887164 944697050 /nfs/dbraw/zinc/69/70/50/944697050.db2.gz TXADDOIXYJTRMO-CYBMUJFWSA-N 1 0 361.829 3.834 20 5 FHBDRO COC1CC[NH+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000506278819 944775028 /nfs/dbraw/zinc/77/50/28/944775028.db2.gz BDOKVQGWEWNYKF-UHFFFAOYSA-N 1 0 355.438 3.974 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000506630206 944803333 /nfs/dbraw/zinc/80/33/33/944803333.db2.gz BCTWOPTYYYATHD-ZDUSSCGKSA-N 1 0 367.515 3.803 20 5 FHBDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543203017 944873595 /nfs/dbraw/zinc/87/35/95/944873595.db2.gz OCADXFHZQOXSTQ-PXNSSMCTSA-N 1 0 358.438 3.664 20 5 FHBDRO COC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000506652406 944884885 /nfs/dbraw/zinc/88/48/85/944884885.db2.gz FIAOURYQBAMNBI-UHFFFAOYSA-N 1 0 368.433 3.610 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000566814359 944902384 /nfs/dbraw/zinc/90/23/84/944902384.db2.gz IUHJFGMGCJREIC-HOTGVXAUSA-N 1 0 358.438 3.590 20 5 FHBDRO COc1ccc(-c2ccc(C[N@H+](C)CCCn3ccnc3)o2)c([N+](=O)[O-])c1 ZINC000516514555 944964522 /nfs/dbraw/zinc/96/45/22/944964522.db2.gz YRUKQDPIVPFJQV-UHFFFAOYSA-N 1 0 370.409 3.582 20 5 FHBDRO Cc1ccc(NC(=O)c2ccc(NCC[NH+]3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000518054457 944964795 /nfs/dbraw/zinc/96/47/95/944964795.db2.gz OJPXUAVZBXYOIP-UHFFFAOYSA-N 1 0 368.437 3.663 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+](CCO)C3CCC3)o2)c(Cl)c1 ZINC000439787979 944993256 /nfs/dbraw/zinc/99/32/56/944993256.db2.gz GLPAAOVIDAKSTG-UHFFFAOYSA-N 1 0 350.802 3.855 20 5 FHBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000437082648 945001102 /nfs/dbraw/zinc/00/11/02/945001102.db2.gz KPVXZKBOFZWFMT-SMDDNHRTSA-N 1 0 361.364 3.879 20 5 FHBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000437082645 945001248 /nfs/dbraw/zinc/00/12/48/945001248.db2.gz KPVXZKBOFZWFMT-BXUZGUMPSA-N 1 0 361.364 3.879 20 5 FHBDRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000047207005 945012448 /nfs/dbraw/zinc/01/24/48/945012448.db2.gz FWHRGJSLMDLTMD-UHFFFAOYSA-N 1 0 371.437 3.876 20 5 FHBDRO Cc1ccccc1[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000507184186 945015008 /nfs/dbraw/zinc/01/50/08/945015008.db2.gz TUNIGVBABPUJAA-MRXNPFEDSA-N 1 0 364.405 3.943 20 5 FHBDRO CCC[N@H+](Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000507225788 945057394 /nfs/dbraw/zinc/05/73/94/945057394.db2.gz FGGROPYYWWRBRY-UHFFFAOYSA-N 1 0 362.348 3.919 20 5 FHBDRO CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000507665158 945415509 /nfs/dbraw/zinc/41/55/09/945415509.db2.gz REHMUCVSCFSVQW-VQIMIIECSA-N 1 0 358.438 3.635 20 5 FHBDRO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544150605 945491923 /nfs/dbraw/zinc/49/19/23/945491923.db2.gz OMNWLJOAIPOXOK-CLCXKQKWSA-N 1 0 374.412 3.557 20 5 FHBDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000129400387 945531628 /nfs/dbraw/zinc/53/16/28/945531628.db2.gz DJBHPTRGAAFJCL-QGZVFWFLSA-N 1 0 350.802 3.855 20 5 FHBDRO Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549524979 945605114 /nfs/dbraw/zinc/60/51/14/945605114.db2.gz OYFYHCVGWNQEHN-GXTWGEPZSA-N 1 0 357.376 3.843 20 5 FHBDRO CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000546179767 945628227 /nfs/dbraw/zinc/62/82/27/945628227.db2.gz LWVQVWWDLJLZPI-DTWKUNHWSA-N 1 0 367.755 3.896 20 5 FHBDRO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(C(C)C)c([N+](=O)[O-])c3)C2)n(C)n1 ZINC000444015634 945725937 /nfs/dbraw/zinc/72/59/37/945725937.db2.gz VRRANOMCYIVPHG-KRWDZBQOSA-N 1 0 371.485 3.519 20 5 FHBDRO O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc2c[nH+]cn2c1 ZINC000550313138 945844488 /nfs/dbraw/zinc/84/44/88/945844488.db2.gz JMAFWHQJMIHPQJ-UHFFFAOYSA-N 1 0 365.374 3.618 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@]2(C1)OCc1ccccc12 ZINC000186438512 945917433 /nfs/dbraw/zinc/91/74/33/945917433.db2.gz OHHBQDQIIKMFOV-FQEVSTJZSA-N 1 0 354.406 3.625 20 5 FHBDRO CSc1cccc(C(=O)NCCC[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000186009702 946089528 /nfs/dbraw/zinc/08/95/28/946089528.db2.gz CRMXQNVDZVSWJR-UHFFFAOYSA-N 1 0 373.478 3.569 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)o2)c1 ZINC000121240096 946102460 /nfs/dbraw/zinc/10/24/60/946102460.db2.gz PPTRQCPRLZYJEV-OAHLLOKOSA-N 1 0 352.394 3.958 20 5 FHBDRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000444236960 946109699 /nfs/dbraw/zinc/10/96/99/946109699.db2.gz IYDICLCDPQRDSE-OALUTQOASA-N 1 0 367.449 3.770 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H]([C@@H]4CCOC4)C3)o2)c1 ZINC000441209223 946317979 /nfs/dbraw/zinc/31/79/79/946317979.db2.gz ZCCIPBKEQKZZEA-DLBZAZTESA-N 1 0 371.437 3.541 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+]CCc2csc(N3CCCC3)n2)cc1[N+](=O)[O-] ZINC000129475214 946322730 /nfs/dbraw/zinc/32/27/30/946322730.db2.gz IQVQHMOGEVLMKU-CQSZACIVSA-N 1 0 360.483 3.853 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3ccc4ccccc4n3)CC2)cc1 ZINC000148119864 946415910 /nfs/dbraw/zinc/41/59/10/946415910.db2.gz BIKKCKQPEVYTBM-UHFFFAOYSA-N 1 0 362.433 3.508 20 5 FHBDRO Cc1cccc(CC2(O)CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000475489769 946423106 /nfs/dbraw/zinc/42/31/06/946423106.db2.gz VQMZKQCFLZIEFK-UITAMQMPSA-N 1 0 366.461 3.986 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3C[C@@H](C)N(C4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000237425494 946455526 /nfs/dbraw/zinc/45/55/26/946455526.db2.gz MUEVCUFEIXJUBX-ZIAGYGMSSA-N 1 0 371.437 3.578 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]CC3(O)CCCCC3)o2)c([N+](=O)[O-])c1 ZINC000237425161 946455737 /nfs/dbraw/zinc/45/57/37/946455737.db2.gz PTJWCBVSQBIUJD-UHFFFAOYSA-N 1 0 360.410 3.648 20 5 FHBDRO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000441344594 946492704 /nfs/dbraw/zinc/49/27/04/946492704.db2.gz IWMLTNZXGFFXHP-DJKXOVBDSA-N 1 0 374.412 3.557 20 5 FHBDRO Cc1c(NC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000111707236 946515393 /nfs/dbraw/zinc/51/53/93/946515393.db2.gz PNYUTUKRYMXARM-AWEZNQCLSA-N 1 0 356.426 3.545 20 5 FHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1(Cc2ccccc2)CC1 ZINC000186578601 946589048 /nfs/dbraw/zinc/58/90/48/946589048.db2.gz YEWUVMYTQXDHED-OAHLLOKOSA-N 1 0 353.422 3.677 20 5 FHBDRO Cn1cc(C[NH2+]CCCc2ccccc2F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000475566569 946680967 /nfs/dbraw/zinc/68/09/67/946680967.db2.gz TWQDKYMLRYHEFX-UHFFFAOYSA-N 1 0 368.412 3.857 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475585479 946758416 /nfs/dbraw/zinc/75/84/16/946758416.db2.gz VOPWHOFMDQLMDF-QGZVFWFLSA-N 1 0 368.437 3.608 20 5 FHBDRO Cc1cc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549576866 946826773 /nfs/dbraw/zinc/82/67/73/946826773.db2.gz FLWKFCCSRTXPCR-INIZCTEOSA-N 1 0 357.376 3.844 20 5 FHBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000112629324 946911545 /nfs/dbraw/zinc/91/15/45/946911545.db2.gz XZBSHSWVDJYMLC-AWEZNQCLSA-N 1 0 366.343 3.695 20 5 FHBDRO CCc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000026191005 946914160 /nfs/dbraw/zinc/91/41/60/946914160.db2.gz SLRXAIBNKXCHEB-HNNXBMFYSA-N 1 0 355.438 3.925 20 5 FHBDRO COc1cccc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000475356033 946937102 /nfs/dbraw/zinc/93/71/02/946937102.db2.gz XSMKJMASMOSHQH-CQSZACIVSA-N 1 0 361.467 3.989 20 5 FHBDRO CCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000475356206 946937393 /nfs/dbraw/zinc/93/73/93/946937393.db2.gz SEDSLKGWPGXTKI-SJORKVTESA-N 1 0 364.490 3.668 20 5 FHBDRO Cc1cccc([C@@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)N2CCOCC2)c1 ZINC000153988578 946949228 /nfs/dbraw/zinc/94/92/28/946949228.db2.gz KWGWIXVKRBXZKX-LAUBAEHRSA-N 1 0 369.465 3.627 20 5 FHBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000909605241 946990194 /nfs/dbraw/zinc/99/01/94/946990194.db2.gz XKWPMHIYTLDTOM-UHFFFAOYSA-N 1 0 366.421 3.627 20 5 FHBDRO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444646188 947068429 /nfs/dbraw/zinc/06/84/29/947068429.db2.gz AWVCVCRYKZQICB-CYBMUJFWSA-N 1 0 354.410 3.543 20 5 FHBDRO Cc1cc(C)cc(CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000444695649 947121270 /nfs/dbraw/zinc/12/12/70/947121270.db2.gz SQARZXQKKKCMOH-UHFFFAOYSA-N 1 0 361.829 3.936 20 5 FHBDRO C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000523486510 947304335 /nfs/dbraw/zinc/30/43/35/947304335.db2.gz UEKAIPFKXXKFNR-MRXNPFEDSA-N 1 0 369.465 3.509 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000184481960 947402199 /nfs/dbraw/zinc/40/21/99/947402199.db2.gz CPPMSLKFCKMTKQ-UHFFFAOYSA-N 1 0 360.458 3.694 20 5 FHBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000150781124 947533194 /nfs/dbraw/zinc/53/31/94/947533194.db2.gz ZVILIDPPHKKONY-RHSMWYFYSA-N 1 0 371.412 3.517 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000093971240 947622377 /nfs/dbraw/zinc/62/23/77/947622377.db2.gz WLBYVANYVMJJKN-MRXNPFEDSA-N 1 0 361.486 3.904 20 5 FHBDRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000536349242 947626402 /nfs/dbraw/zinc/62/64/02/947626402.db2.gz PWAHLHAPLKJGKW-VLIAUNLRSA-N 1 0 373.453 3.917 20 5 FHBDRO COC(=O)c1cc(NC[C@@H](c2ccco2)[NH+]2CCCC2)cc(C)c1[N+](=O)[O-] ZINC000440731378 947754806 /nfs/dbraw/zinc/75/48/06/947754806.db2.gz YWADYNFMRTYVQT-INIZCTEOSA-N 1 0 373.409 3.532 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC3CC(O)C3)o2)c(Cl)c1 ZINC000432364903 948228011 /nfs/dbraw/zinc/22/80/11/948228011.db2.gz NUUMUEQSFSKNQO-UHFFFAOYSA-N 1 0 350.802 3.759 20 5 FHBDRO O=[N+]([O-])c1cc(C[N@H+](CCO)CC2CC2)ccc1Oc1ccc(F)cc1 ZINC000512037820 948262067 /nfs/dbraw/zinc/26/20/67/948262067.db2.gz IFSHHVCIIKNPNL-UHFFFAOYSA-N 1 0 360.385 3.731 20 5 FHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000184732646 948301546 /nfs/dbraw/zinc/30/15/46/948301546.db2.gz CDHMSSABJCVYRJ-QUCCMNQESA-N 1 0 373.497 3.640 20 5 FHBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000574796815 948518019 /nfs/dbraw/zinc/51/80/19/948518019.db2.gz LVWLHNIMHIGAJJ-WIHIRCLASA-N 1 0 371.462 3.574 20 5 FHBDRO C[N@H+](CCc1ccc(F)cc1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728899291 948712232 /nfs/dbraw/zinc/71/22/32/948712232.db2.gz QTOPIZUCNARCHU-UHFFFAOYSA-N 1 0 354.385 3.729 20 5 FHBDRO O=C1OCCC12CC[NH+](Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)CC2 ZINC000359866729 210190153 /nfs/dbraw/zinc/19/01/53/210190153.db2.gz GJWHAQSPSXEHSL-UHFFFAOYSA-N 1 0 372.446 3.852 20 5 FHBDRO CC1CC[NH+]([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000072006501 221394978 /nfs/dbraw/zinc/39/49/78/221394978.db2.gz IVPUXJOXOXAWDZ-FQEVSTJZSA-N 1 0 367.449 3.798 20 5 FHBDRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000072035425 221398038 /nfs/dbraw/zinc/39/80/38/221398038.db2.gz OINVLCLGDJKHMH-INIZCTEOSA-N 1 0 371.412 3.893 20 5 FHBDRO COc1ccc(CN(Cc2cccs2)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000051429688 567879003 /nfs/dbraw/zinc/87/90/03/567879003.db2.gz ZTKXMZHFEFJQIK-OAHLLOKOSA-N 1 0 362.451 3.846 20 5 FHBDRO Cc1cc(N2CCOc3cc(O)ccc3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000568121749 567888666 /nfs/dbraw/zinc/88/86/66/567888666.db2.gz MAFPSGCTYWGYIN-UHFFFAOYSA-N 1 0 351.362 3.556 20 5 FHBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000541833879 567936166 /nfs/dbraw/zinc/93/61/66/567936166.db2.gz SHBKRQPOKZWLPO-ZDUSSCGKSA-N 1 0 374.416 3.985 20 5 FHBDRO O=[N+]([O-])c1sc(C[NH2+]CCCC2CCOCC2)cc1Br ZINC000602670428 568007824 /nfs/dbraw/zinc/00/78/24/568007824.db2.gz FPLBYIPYZPPBRL-UHFFFAOYSA-N 1 0 363.277 3.715 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]Cc1noc2c1CCCC2 ZINC000568446985 568039101 /nfs/dbraw/zinc/03/91/01/568039101.db2.gz XLOUPARTFQRBFB-PBHICJAKSA-N 1 0 355.438 3.963 20 5 FHBDRO COCC[C@H](NCc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)c(Cl)c1 ZINC000568304860 568049400 /nfs/dbraw/zinc/04/94/00/568049400.db2.gz AMRJAMNNNWZEAK-ZDUSSCGKSA-N 1 0 373.240 3.503 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000481571042 568053859 /nfs/dbraw/zinc/05/38/59/568053859.db2.gz LHAYSZUCFSWYMA-MAUKXSAKSA-N 1 0 355.438 3.773 20 5 FHBDRO Cc1sc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000265004318 568060360 /nfs/dbraw/zinc/06/03/60/568060360.db2.gz FGYPQLXIQWPJTK-DZGCQCFKSA-N 1 0 365.499 3.691 20 5 FHBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SCC ZINC000568575649 568061388 /nfs/dbraw/zinc/06/13/88/568061388.db2.gz ZBHKDGXYJSTXMR-CYBMUJFWSA-N 1 0 353.488 3.557 20 5 FHBDRO C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000481742316 568099674 /nfs/dbraw/zinc/09/96/74/568099674.db2.gz WJCYCQWRLJNQLE-AWEZNQCLSA-N 1 0 356.422 3.994 20 5 FHBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000481766064 568119641 /nfs/dbraw/zinc/11/96/41/568119641.db2.gz AEOJBYLEOJAUOE-MRXNPFEDSA-N 1 0 367.449 3.757 20 5 FHBDRO C[NH+](C)[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000603871823 568174328 /nfs/dbraw/zinc/17/43/28/568174328.db2.gz WDFNRCAVASPVGK-GOSISDBHSA-N 1 0 354.385 3.997 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000181916917 568196040 /nfs/dbraw/zinc/19/60/40/568196040.db2.gz QTCXVTBMRXIPKH-AWEZNQCLSA-N 1 0 352.394 3.640 20 5 FHBDRO C[NH+](C)[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(F)cc1 ZINC000604181668 568219943 /nfs/dbraw/zinc/21/99/43/568219943.db2.gz DCEUHYYSYZPRDC-INIZCTEOSA-N 1 0 371.368 3.513 20 5 FHBDRO Cc1cnc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000481995498 568221671 /nfs/dbraw/zinc/22/16/71/568221671.db2.gz YKIWXKAQSRLQMO-MOPGFXCFSA-N 1 0 366.465 3.789 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3ccn(-c4ccccc4)n3)c2c1 ZINC000568807554 568229323 /nfs/dbraw/zinc/22/93/23/568229323.db2.gz GWZAJGXSABKFSY-UHFFFAOYSA-N 1 0 361.405 3.594 20 5 FHBDRO CCOc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236910387 568248709 /nfs/dbraw/zinc/24/87/09/568248709.db2.gz DVZJECACPMLJDH-UHFFFAOYSA-N 1 0 366.421 3.684 20 5 FHBDRO COc1ccc(C[NH2+]Cc2cc(Br)ccc2C)cc1[N+](=O)[O-] ZINC000190299239 568253114 /nfs/dbraw/zinc/25/31/14/568253114.db2.gz XSGDLBRCVZEHOH-UHFFFAOYSA-N 1 0 365.227 3.964 20 5 FHBDRO CCC(CC)(CCO)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000072927324 568253250 /nfs/dbraw/zinc/25/32/50/568253250.db2.gz KCUQUDSGUAMLFV-UHFFFAOYSA-N 1 0 363.483 3.997 20 5 FHBDRO CNC(=O)C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000482065270 568253516 /nfs/dbraw/zinc/25/35/16/568253516.db2.gz CUTMRRGTZHPOKO-RBUKOAKNSA-N 1 0 367.449 3.784 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc(OCC2CC2)nc1)C1CC1 ZINC000482112823 568275594 /nfs/dbraw/zinc/27/55/94/568275594.db2.gz GGLOGTORKDKEEL-LJQANCHMSA-N 1 0 367.449 3.890 20 5 FHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000569707860 568413164 /nfs/dbraw/zinc/41/31/64/568413164.db2.gz DEEXVHQSVIOCJX-LLVKDONJSA-N 1 0 357.357 3.890 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000570439817 568476652 /nfs/dbraw/zinc/47/66/52/568476652.db2.gz SOMVVUBTNYKPHW-MRXNPFEDSA-N 1 0 350.463 3.645 20 5 FHBDRO CC1CCC([NH+]2CCC(NC(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000366040845 568500190 /nfs/dbraw/zinc/50/01/90/568500190.db2.gz LLOWDFNHKNCEAA-UHFFFAOYSA-N 1 0 363.433 3.507 20 5 FHBDRO COc1cccc(N2CC[C@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000482252446 568529260 /nfs/dbraw/zinc/52/92/60/568529260.db2.gz BANSREGPZVVFNY-HOTGVXAUSA-N 1 0 355.438 3.841 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164626992 719053863 /nfs/dbraw/zinc/05/38/63/719053863.db2.gz SZWHGGICOOKZAJ-DOTOQJQBSA-N 1 0 372.856 3.744 20 5 FHBDRO C[NH+](C)CC1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485385455 721951197 /nfs/dbraw/zinc/95/11/97/721951197.db2.gz CCDIQLXCIFWZQY-UHFFFAOYSA-N 1 0 358.417 3.574 20 5 FHBDRO CCOc1cccc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000613045315 936363936 /nfs/dbraw/zinc/36/39/36/936363936.db2.gz SLKXHKVARMNSLX-KRWDZBQOSA-N 1 0 355.438 3.704 20 5 FHBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000573140123 936378617 /nfs/dbraw/zinc/37/86/17/936378617.db2.gz AWKNVJDQVVDCBE-YJBOKZPZSA-N 1 0 355.438 3.913 20 5 FHBDRO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)[NH+](C)C)cc1 ZINC000049407715 927043137 /nfs/dbraw/zinc/04/31/37/927043137.db2.gz HPTGAVAXKBQTRU-KRWDZBQOSA-N 1 0 361.829 3.589 20 5 FHBDRO CCCN(Cc1cc(F)ccc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC000216527640 927111995 /nfs/dbraw/zinc/11/19/95/927111995.db2.gz JHGATYUAVLAWFR-CQSZACIVSA-N 1 0 359.401 3.973 20 5 FHBDRO C/C(=C/C(=O)OC[C@H]1CCC[N@@H+]1Cc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000784900961 927239837 /nfs/dbraw/zinc/23/98/37/927239837.db2.gz DSUFEFWXCQQNPD-WTQUMQLASA-N 1 0 370.405 3.799 20 5 FHBDRO COc1cc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])cc1F ZINC000302026285 927278102 /nfs/dbraw/zinc/27/81/02/927278102.db2.gz GYDLGYKRHOZZRJ-CABCVRRESA-N 1 0 365.449 3.833 20 5 FHBDRO Cc1c(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000044790290 927421701 /nfs/dbraw/zinc/42/17/01/927421701.db2.gz CLOIWNFHKHEGJI-KRWDZBQOSA-N 1 0 353.422 3.754 20 5 FHBDRO Cc1cc(N2CCC(C(=O)C(F)(F)F)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000274669672 927458468 /nfs/dbraw/zinc/45/84/68/927458468.db2.gz XSHXOGBHCLVHAP-UHFFFAOYSA-N 1 0 367.327 3.799 20 5 FHBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1csc([N+](=O)[O-])c1)Cc1ccncc1 ZINC000583170477 937205679 /nfs/dbraw/zinc/20/56/79/937205679.db2.gz ACZKCCMXDFKFJE-QGZVFWFLSA-N 1 0 360.483 3.538 20 5 FHBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000064801070 927911935 /nfs/dbraw/zinc/91/19/35/927911935.db2.gz KYAZXLSLXMUYBK-OKILXGFUSA-N 1 0 372.469 3.562 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000430200152 927938596 /nfs/dbraw/zinc/93/85/96/927938596.db2.gz FYNICRDEXOWHNV-CQSZACIVSA-N 1 0 366.421 3.948 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000430204297 928006515 /nfs/dbraw/zinc/00/65/15/928006515.db2.gz QSKWGHJIHFDYAN-UHFFFAOYSA-N 1 0 370.449 3.827 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000120298377 928019103 /nfs/dbraw/zinc/01/91/03/928019103.db2.gz KKKRIBQYQCGVLS-HOTGVXAUSA-N 1 0 374.485 3.986 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000430209500 928087617 /nfs/dbraw/zinc/08/76/17/928087617.db2.gz RHBFUFQBXLIBRM-IBGZPJMESA-N 1 0 358.438 3.623 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000430215038 928203873 /nfs/dbraw/zinc/20/38/73/928203873.db2.gz CUOXSDFPGBDXDN-MRXNPFEDSA-N 1 0 372.396 3.837 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000430225595 928291487 /nfs/dbraw/zinc/29/14/87/928291487.db2.gz YMZPZHNJFOYGPI-UHFFFAOYSA-N 1 0 356.422 3.785 20 5 FHBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000559145431 928389627 /nfs/dbraw/zinc/38/96/27/928389627.db2.gz KSKRDJOOSBUHML-ZBFHGGJFSA-N 1 0 374.359 3.825 20 5 FHBDRO CC(C)(C)[N@@H+]1CCCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000748081732 928564509 /nfs/dbraw/zinc/56/45/09/928564509.db2.gz CMADVRQQPWKKQW-UHFFFAOYSA-N 1 0 364.471 3.636 20 5 FHBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ncc(Br)s1 ZINC000179225352 928790190 /nfs/dbraw/zinc/79/01/90/928790190.db2.gz HZLPNPFGGYFRRF-SECBINFHSA-N 1 0 356.245 3.707 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000445196539 929024062 /nfs/dbraw/zinc/02/40/62/929024062.db2.gz WQSPNVIDMQLJGC-CQSZACIVSA-N 1 0 367.877 3.941 20 5 FHBDRO Cc1cccc(C(=O)OCC2CC[NH+](Cc3ccco3)CC2)c1[N+](=O)[O-] ZINC000120615099 929107772 /nfs/dbraw/zinc/10/77/72/929107772.db2.gz QWDQBUGKYVFPLV-UHFFFAOYSA-N 1 0 358.394 3.565 20 5 FHBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000134794330 929276674 /nfs/dbraw/zinc/27/66/74/929276674.db2.gz QDKUIFOMHVCKBW-MJGOQNOKSA-N 1 0 374.412 3.831 20 5 FHBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000278191726 937328573 /nfs/dbraw/zinc/32/85/73/937328573.db2.gz OSKWMQNIBIIYNN-CABCVRRESA-N 1 0 363.461 3.696 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430301021 929545861 /nfs/dbraw/zinc/54/58/61/929545861.db2.gz PNOPZOWHSMIXRL-SJORKVTESA-N 1 0 367.449 3.949 20 5 FHBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000610296825 929714416 /nfs/dbraw/zinc/71/44/16/929714416.db2.gz KXTKAZUOTAMNPR-INIZCTEOSA-N 1 0 373.840 3.595 20 5 FHBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275678585 929849787 /nfs/dbraw/zinc/84/97/87/929849787.db2.gz BTYXXPYWCKLNBV-XOBRGWDASA-N 1 0 363.461 3.506 20 5 FHBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)n1 ZINC000134105813 930038162 /nfs/dbraw/zinc/03/81/62/930038162.db2.gz ASBWZNBOYUTMIZ-UKRRQHHQSA-N 1 0 368.359 3.736 20 5 FHBDRO Cc1c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000052314987 937389288 /nfs/dbraw/zinc/38/92/88/937389288.db2.gz WEXZUPQAEISUCY-QGZVFWFLSA-N 1 0 353.422 3.754 20 5 FHBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N1c2ccccc2C[C@H]1C ZINC000583390920 937398261 /nfs/dbraw/zinc/39/82/61/937398261.db2.gz FGOLROAQOLUINA-QWQRMKEZSA-N 1 0 365.433 3.538 20 5 FHBDRO O=C(C[N@@H+]1CCC[C@@H]1C1CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000610390813 930304517 /nfs/dbraw/zinc/30/45/17/930304517.db2.gz FRPAXEIHTCCEFE-MRXNPFEDSA-N 1 0 372.450 3.531 20 5 FHBDRO Cc1nn(C)c(NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000052331314 937417263 /nfs/dbraw/zinc/41/72/63/937417263.db2.gz BPMXXRYZVCCLFJ-GASCZTMLSA-N 1 0 371.485 3.727 20 5 FHBDRO Cc1nn(C)c(NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000052331317 937417345 /nfs/dbraw/zinc/41/73/45/937417345.db2.gz BPMXXRYZVCCLFJ-GJZGRUSLSA-N 1 0 371.485 3.727 20 5 FHBDRO CC(C)(C)[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000064933072 930502521 /nfs/dbraw/zinc/50/25/21/930502521.db2.gz CKLXHWOIICWFCA-MJGOQNOKSA-N 1 0 358.438 3.712 20 5 FHBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275864203 930553620 /nfs/dbraw/zinc/55/36/20/930553620.db2.gz URGDYCOLVARHMV-UHFFFAOYSA-N 1 0 363.461 3.507 20 5 FHBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001167387462 930593067 /nfs/dbraw/zinc/59/30/67/930593067.db2.gz SQZAZPHMGGHBGT-INIZCTEOSA-N 1 0 358.438 3.935 20 5 FHBDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000177756293 930625498 /nfs/dbraw/zinc/62/54/98/930625498.db2.gz VZOROZYBZJHNPS-ZIAGYGMSSA-N 1 0 355.394 3.963 20 5 FHBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000610125577 930719657 /nfs/dbraw/zinc/71/96/57/930719657.db2.gz GUFZQKMUUIENTB-ZBFHGGJFSA-N 1 0 361.486 3.837 20 5 FHBDRO Cc1c(Cl)cccc1NC(=O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000580537146 930819416 /nfs/dbraw/zinc/81/94/16/930819416.db2.gz XPHPVPSXHJTBDG-UHFFFAOYSA-N 1 0 361.829 3.670 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCS[C@H]4COCC[C@H]43)o2)cc1 ZINC000247289386 931087970 /nfs/dbraw/zinc/08/79/70/931087970.db2.gz ZASZDWAABGYXCU-AEFFLSMTSA-N 1 0 360.435 3.561 20 5 FHBDRO CCCCOc1ncccc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000580827126 931230985 /nfs/dbraw/zinc/23/09/85/931230985.db2.gz ICVRIHILJULVPG-IRXDYDNUSA-N 1 0 373.457 3.639 20 5 FHBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2c3ccccc3CC23CCOCC3)c1 ZINC000580825634 931234652 /nfs/dbraw/zinc/23/46/52/931234652.db2.gz BDYDHAFIGPTWOH-HXUWFJFHSA-N 1 0 368.433 3.657 20 5 FHBDRO C[NH+]1CCC(C)(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000276013347 931471586 /nfs/dbraw/zinc/47/15/86/931471586.db2.gz UEHZPXOKJQHISJ-UHFFFAOYSA-N 1 0 363.461 3.555 20 5 FHBDRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000126347309 931758156 /nfs/dbraw/zinc/75/81/56/931758156.db2.gz VGHGAOCPJLWQJI-KGLIPLIRSA-N 1 0 373.478 3.985 20 5 FHBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000033084887 931925718 /nfs/dbraw/zinc/92/57/18/931925718.db2.gz AYAWGWIQZVNKCK-UHFFFAOYSA-N 1 0 369.446 3.801 20 5 FHBDRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000177998426 932001485 /nfs/dbraw/zinc/00/14/85/932001485.db2.gz GWWANVWMEXONFX-INIZCTEOSA-N 1 0 355.438 3.603 20 5 FHBDRO CN(C(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000135166061 932018864 /nfs/dbraw/zinc/01/88/64/932018864.db2.gz IGHVACSEWFXALJ-UHFFFAOYSA-N 1 0 353.422 3.612 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000119381665 932158969 /nfs/dbraw/zinc/15/89/69/932158969.db2.gz WHGZFFKUNHIOTF-HNNXBMFYSA-N 1 0 371.437 3.500 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000119381818 932159076 /nfs/dbraw/zinc/15/90/76/932159076.db2.gz WHGZFFKUNHIOTF-OAHLLOKOSA-N 1 0 371.437 3.500 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCN(C(=O)C1CCC1)C1CC1 ZINC000537966871 932178721 /nfs/dbraw/zinc/17/87/21/932178721.db2.gz IOLCUZXFKNGLDQ-OAHLLOKOSA-N 1 0 359.470 3.735 20 5 FHBDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000537966843 932179668 /nfs/dbraw/zinc/17/96/68/932179668.db2.gz HNHZIMXYFAVVMR-HNNXBMFYSA-N 1 0 366.421 3.819 20 5 FHBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000156243151 932184423 /nfs/dbraw/zinc/18/44/23/932184423.db2.gz YCLYLPLDDXJNQO-HUUCEWRRSA-N 1 0 369.421 3.587 20 5 FHBDRO COc1cc(C[NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)c([N+](=O)[O-])cc1O ZINC000610511550 932280464 /nfs/dbraw/zinc/28/04/64/932280464.db2.gz ANEFMTBRLXUIOY-CMPLNLGQSA-N 1 0 362.348 3.767 20 5 FHBDRO Cn1cc(C[NH2+]CC(C)(C)[C@@H]2CCCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000610717461 932282733 /nfs/dbraw/zinc/28/27/33/932282733.db2.gz WIBUSVKPTMFOCR-SFHVURJKSA-N 1 0 372.469 3.680 20 5 FHBDRO COc1ccc(NC(=O)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000178076082 932313616 /nfs/dbraw/zinc/31/36/16/932313616.db2.gz MQGGUFUIYLDVMT-UHFFFAOYSA-N 1 0 369.421 3.597 20 5 FHBDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000134661766 932837625 /nfs/dbraw/zinc/83/76/25/932837625.db2.gz HOIXBUXLJMBWCL-GOEBONIOSA-N 1 0 363.458 3.515 20 5 FHBDRO CC(C)[NH+](CCSCc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000161060881 932876951 /nfs/dbraw/zinc/87/69/51/932876951.db2.gz YEBJEYCQQSCNNH-UHFFFAOYSA-N 1 0 354.472 3.813 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CCC[C@H]([NH+]4CCCC4)C3)o2)c1 ZINC000510489407 932928445 /nfs/dbraw/zinc/92/84/45/932928445.db2.gz NLEADGCLXQPAHB-SFHVURJKSA-N 1 0 355.438 3.915 20 5 FHBDRO CCN1C[C@H](C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)Oc2ccccc21 ZINC000610556991 932969554 /nfs/dbraw/zinc/96/95/54/932969554.db2.gz HXTQDEFXIJGSLB-QAPCUYQASA-N 1 0 355.438 3.875 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3ccc(-n4ccnc4)cc3)c2c1 ZINC000581966421 933127573 /nfs/dbraw/zinc/12/75/73/933127573.db2.gz AMXBOGDHHGYXJL-UHFFFAOYSA-N 1 0 361.405 3.594 20 5 FHBDRO C[S@@](=O)c1ccc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000610575176 933158001 /nfs/dbraw/zinc/15/80/01/933158001.db2.gz KATBNUFBQVOGST-AREMUKBSSA-N 1 0 370.430 3.882 20 5 FHBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000588447232 933175191 /nfs/dbraw/zinc/17/51/91/933175191.db2.gz WNNWBJQSXCLXKA-YLRLEHAUSA-N 1 0 365.433 3.560 20 5 FHBDRO Cc1sc(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000510526692 933187211 /nfs/dbraw/zinc/18/72/11/933187211.db2.gz UFJYUFNACBKNRR-SJCJKPOMSA-N 1 0 361.467 3.694 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@H](c4ncc[nH]4)C3)o2)c1 ZINC000510534512 933194463 /nfs/dbraw/zinc/19/44/63/933194463.db2.gz QPSMSYDDKFCADQ-HNNXBMFYSA-N 1 0 352.394 3.958 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@@H]([NH+]4CCCC4)C3)o2)cc1 ZINC000510534966 933195888 /nfs/dbraw/zinc/19/58/88/933195888.db2.gz AEUROJJFRJTOGA-GOSISDBHSA-N 1 0 355.438 3.915 20 5 FHBDRO CC[NH+](CC)Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000430781332 933234981 /nfs/dbraw/zinc/23/49/81/933234981.db2.gz BWNPETQDJULQGG-UHFFFAOYSA-N 1 0 371.437 3.763 20 5 FHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000610581383 933319548 /nfs/dbraw/zinc/31/95/48/933319548.db2.gz NLFRLRPULJWYBJ-IJEWVQPXSA-N 1 0 358.442 3.573 20 5 FHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000510630103 933327411 /nfs/dbraw/zinc/32/74/11/933327411.db2.gz NZVLFDDKBHONDE-MRXNPFEDSA-N 1 0 369.412 3.647 20 5 FHBDRO COC(=O)c1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1F ZINC000089117117 933411842 /nfs/dbraw/zinc/41/18/42/933411842.db2.gz USJAZWBHTKGDGX-UHFFFAOYSA-N 1 0 360.385 3.931 20 5 FHBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1)OCCO2 ZINC000610613339 933534544 /nfs/dbraw/zinc/53/45/44/933534544.db2.gz WXXOBGLKJMZPRS-YPMHNXCESA-N 1 0 374.359 3.824 20 5 FHBDRO CCOc1cc(C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)ccc1[N+](=O)[O-] ZINC000276896005 933893510 /nfs/dbraw/zinc/89/35/10/933893510.db2.gz KZWRDBIFORJBIQ-ZDUSSCGKSA-N 1 0 357.410 3.803 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000431250846 934250907 /nfs/dbraw/zinc/25/09/07/934250907.db2.gz YRQUJLVLMFHTPQ-CHWSQXEVSA-N 1 0 373.375 3.751 20 5 FHBDRO CN(c1ccccc1)c1ccc(C[NH+]2CCC(CCO)CC2)cc1[N+](=O)[O-] ZINC000535782139 934372079 /nfs/dbraw/zinc/37/20/79/934372079.db2.gz GXQILSSIFPEJOZ-UHFFFAOYSA-N 1 0 369.465 3.957 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458209704 934380195 /nfs/dbraw/zinc/38/01/95/934380195.db2.gz KOUJZUNXKRHTRY-AWEZNQCLSA-N 1 0 365.499 3.559 20 5 FHBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(Br)cc1 ZINC000065208686 934666765 /nfs/dbraw/zinc/66/67/65/934666765.db2.gz OSLFCCMAIDDGCI-UHFFFAOYSA-N 1 0 365.227 3.868 20 5 FHBDRO Cc1c(CC(=O)N(c2ccccc2)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000610980269 934681854 /nfs/dbraw/zinc/68/18/54/934681854.db2.gz BQCYJYBYSFHMKG-UHFFFAOYSA-N 1 0 367.449 3.573 20 5 FHBDRO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)n1 ZINC000091832681 934861531 /nfs/dbraw/zinc/86/15/31/934861531.db2.gz BXPZTDXOJHIPLZ-CQSZACIVSA-N 1 0 368.393 3.926 20 5 FHBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000538716966 934897328 /nfs/dbraw/zinc/89/73/28/934897328.db2.gz SDDFNXZNGWDGAP-ROUUACIJSA-N 1 0 372.469 3.631 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+]CCCc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000539059194 935004762 /nfs/dbraw/zinc/00/47/62/935004762.db2.gz VMXHFZIPSIYKKL-OAHLLOKOSA-N 1 0 356.422 3.958 20 5 FHBDRO CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccccc1C ZINC000071950424 935069099 /nfs/dbraw/zinc/06/90/99/935069099.db2.gz BRQGTHAYFBPWRR-UHFFFAOYSA-N 1 0 371.437 3.633 20 5 FHBDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000539234514 935098851 /nfs/dbraw/zinc/09/88/51/935098851.db2.gz SXXMFSWOMNKKSF-LLVKDONJSA-N 1 0 363.801 3.546 20 5 FHBDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000157790000 935197757 /nfs/dbraw/zinc/19/77/57/935197757.db2.gz BSOLMTWYBBLMSD-GXTWGEPZSA-N 1 0 373.457 3.533 20 5 FHBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000072034692 935225765 /nfs/dbraw/zinc/22/57/65/935225765.db2.gz UJBBCSMSWAEVDD-UHFFFAOYSA-N 1 0 367.877 3.832 20 5 FHBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000072064359 935267891 /nfs/dbraw/zinc/26/78/91/935267891.db2.gz ZBQJPHQXXQIAFF-UHFFFAOYSA-N 1 0 369.465 3.887 20 5 FHBDRO CCC[NH+]1CCC(CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000563263350 935326069 /nfs/dbraw/zinc/32/60/69/935326069.db2.gz DFPRLPQJMBKTPY-MRXNPFEDSA-N 1 0 359.392 3.910 20 5 FHBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(c3ncccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000119974481 935385755 /nfs/dbraw/zinc/38/57/55/935385755.db2.gz QNQMKQHWRGNTJL-KBPBESRZSA-N 1 0 360.845 3.881 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccccc2OCC[NH+](C)C)n1 ZINC000582207191 935397647 /nfs/dbraw/zinc/39/76/47/935397647.db2.gz OKOSLAJQFDMFLQ-UHFFFAOYSA-N 1 0 368.393 3.561 20 5 FHBDRO CC(C)[NH+](CCN(C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000467226009 945099880 /nfs/dbraw/zinc/09/98/80/945099880.db2.gz SRXIDNGTAUTUCI-UHFFFAOYSA-N 1 0 370.881 3.508 20 5 FHBDRO COC(=O)COc1ccc(C[N@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000187743470 935630354 /nfs/dbraw/zinc/63/03/54/935630354.db2.gz OBUUBPYMKMNTPL-HNNXBMFYSA-N 1 0 372.421 3.648 20 5 FHBDRO Cc1cc(-n2ccnc2)ccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511118644 935665417 /nfs/dbraw/zinc/66/54/17/935665417.db2.gz BBUWVRSQWZLREK-UHFFFAOYSA-N 1 0 350.422 3.763 20 5 FHBDRO O=C1C[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ccccc2N1 ZINC000375712407 935779744 /nfs/dbraw/zinc/77/97/44/935779744.db2.gz RYZLOSLKLCNZRJ-KDOFPFPSSA-N 1 0 351.406 3.688 20 5 FHBDRO C[C@H]([NH2+]CCCCn1cc(Br)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000479442595 935836639 /nfs/dbraw/zinc/83/66/39/935836639.db2.gz DLEUKRZYSJYBLA-LBPRGKRZSA-N 1 0 367.247 3.685 20 5 FHBDRO CC(C)[NH+](CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(C)C ZINC000277707846 935842736 /nfs/dbraw/zinc/84/27/36/935842736.db2.gz DTBBIHOCWKSCBC-UHFFFAOYSA-N 1 0 365.477 3.942 20 5 FHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)c1 ZINC000479881347 935911039 /nfs/dbraw/zinc/91/10/39/935911039.db2.gz HTOLIGHJYQLRSP-CQSZACIVSA-N 1 0 365.355 3.982 20 5 FHBDRO COc1ccc(C[N@@H+](C)C[C@@H](C)OC)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000582693764 935952884 /nfs/dbraw/zinc/95/28/84/935952884.db2.gz WXXAGJPUEMXVGH-OAHLLOKOSA-N 1 0 374.437 3.649 20 5 FHBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H](C)Cc1ccsc1 ZINC000187795223 936019518 /nfs/dbraw/zinc/01/95/18/936019518.db2.gz OTKYSMYQRZIDJP-AWEZNQCLSA-N 1 0 361.467 3.856 20 5 FHBDRO C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611713906 936075648 /nfs/dbraw/zinc/07/56/48/936075648.db2.gz LGZQLGOLEXVYSL-KBPBESRZSA-N 1 0 355.442 3.603 20 5 FHBDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178654846 936087252 /nfs/dbraw/zinc/08/72/52/936087252.db2.gz MPSVTKPARMDJNP-WBMJQRKESA-N 1 0 359.813 3.704 20 5 FHBDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000178661546 936092484 /nfs/dbraw/zinc/09/24/84/936092484.db2.gz HSMCQNVKEPPSRT-HOCLYGCPSA-N 1 0 371.437 3.542 20 5 FHBDRO CC[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000472262303 936140903 /nfs/dbraw/zinc/14/09/03/936140903.db2.gz URDGWTCBDNHDDW-HNAYVOBHSA-N 1 0 367.449 3.709 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000178680252 936172398 /nfs/dbraw/zinc/17/23/98/936172398.db2.gz CYRLDHYZMQZRBC-NWDGAFQWSA-N 1 0 363.364 3.859 20 5 FHBDRO Cc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178685323 936201160 /nfs/dbraw/zinc/20/11/60/936201160.db2.gz FGRIQOLGHVBVGC-JKSUJKDBSA-N 1 0 355.438 3.567 20 5 FHBDRO CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000178684174 936205017 /nfs/dbraw/zinc/20/50/17/936205017.db2.gz BOKRIIOFXFGYAJ-HZPDHXFCSA-N 1 0 355.438 3.995 20 5 FHBDRO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178684318 936205509 /nfs/dbraw/zinc/20/55/09/936205509.db2.gz IJAZYVDFZGFLLV-CVEARBPZSA-N 1 0 355.438 3.567 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000178684761 936206722 /nfs/dbraw/zinc/20/67/22/936206722.db2.gz FQJNGAPCJLTFNJ-VXGBXAGGSA-N 1 0 362.817 3.629 20 5 FHBDRO Cc1nc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)sc1C ZINC000178690379 936207194 /nfs/dbraw/zinc/20/71/94/936207194.db2.gz DOVKXRMZSQLCJL-NEPJUHHUSA-N 1 0 362.455 3.654 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccnc2Cl)cc1[N+](=O)[O-] ZINC000178690054 936211979 /nfs/dbraw/zinc/21/19/79/936211979.db2.gz LHPVCBAANQMLBJ-VXGBXAGGSA-N 1 0 362.817 3.629 20 5 FHBDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000069832894 936222172 /nfs/dbraw/zinc/22/21/72/936222172.db2.gz DOQHYHFMMVNJTN-UHFFFAOYSA-N 1 0 350.422 3.811 20 5 FHBDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000069832892 936222326 /nfs/dbraw/zinc/22/23/26/936222326.db2.gz ODTOOYPXGHVKNX-UHFFFAOYSA-N 1 0 350.422 3.811 20 5 FHBDRO COc1ccc(-n2ccc(CN[C@@H](C)c3cccc([N+](=O)[O-])c3C)n2)cc1 ZINC000178712002 936275804 /nfs/dbraw/zinc/27/58/04/936275804.db2.gz YWIMWCTXGBOWCJ-HNNXBMFYSA-N 1 0 366.421 3.948 20 5 FHBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000583625888 938327261 /nfs/dbraw/zinc/32/72/61/938327261.db2.gz RDDHRUIMTACOTK-CABCVRRESA-N 1 0 369.421 3.634 20 5 FHBDRO CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC000507351372 945165406 /nfs/dbraw/zinc/16/54/06/945165406.db2.gz WTSFSBRRDFTNCA-INIZCTEOSA-N 1 0 371.437 3.713 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)CC[NH+]1CCCCCC1 ZINC000584321139 938685547 /nfs/dbraw/zinc/68/55/47/938685547.db2.gz HQKTXHXOROMVNS-UHFFFAOYSA-N 1 0 362.474 3.887 20 5 FHBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000158849062 938898643 /nfs/dbraw/zinc/89/86/43/938898643.db2.gz UDJMDFMYFUWPNB-IFXJQAMLSA-N 1 0 351.410 3.977 20 5 FHBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000074772977 945215428 /nfs/dbraw/zinc/21/54/28/945215428.db2.gz YVFUTDOCQOMTJH-CYBMUJFWSA-N 1 0 368.275 3.525 20 5 FHBDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)cn1 ZINC000093870210 938931195 /nfs/dbraw/zinc/93/11/95/938931195.db2.gz QUNNHHZTEKCZDW-HNNXBMFYSA-N 1 0 366.421 3.653 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000179108468 938944320 /nfs/dbraw/zinc/94/43/20/938944320.db2.gz XSRIPFRQDVWDQI-HXUWFJFHSA-N 1 0 353.422 3.973 20 5 FHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1F ZINC000278780395 938991686 /nfs/dbraw/zinc/99/16/86/938991686.db2.gz ZKSXLBYQVAOGCQ-LJQANCHMSA-N 1 0 358.369 3.746 20 5 FHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000179272162 939022355 /nfs/dbraw/zinc/02/23/55/939022355.db2.gz OJDRSPQNEQHGRI-UHFFFAOYSA-N 1 0 373.478 3.698 20 5 FHBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc(Cn3ccnc3)c2)cccc1[N+](=O)[O-] ZINC000151333374 945231641 /nfs/dbraw/zinc/23/16/41/945231641.db2.gz ARBWBDZQSFYAGY-MRXNPFEDSA-N 1 0 350.422 3.999 20 5 FHBDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000179449606 939164405 /nfs/dbraw/zinc/16/44/05/939164405.db2.gz WYGMFOVYSSDHFN-MRXNPFEDSA-N 1 0 363.458 3.592 20 5 FHBDRO COc1ccc(CN2CCC(C[NH+]3CCCCCC3)CC2)cc1[N+](=O)[O-] ZINC000048562748 945274269 /nfs/dbraw/zinc/27/42/69/945274269.db2.gz KJHKVRCIOLNXPG-UHFFFAOYSA-N 1 0 361.486 3.691 20 5 FHBDRO COc1cc(C)c([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)cc1OC ZINC000179622791 939895839 /nfs/dbraw/zinc/89/58/39/939895839.db2.gz NFWIWUXFZCXTFB-CQSZACIVSA-N 1 0 360.410 3.650 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000614261260 939903426 /nfs/dbraw/zinc/90/34/26/939903426.db2.gz QHWQBNDIZPLEQO-HZPDHXFCSA-N 1 0 371.485 3.558 20 5 FHBDRO Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000235980353 939907012 /nfs/dbraw/zinc/90/70/12/939907012.db2.gz NOFRWKGIONMRDO-VXGBXAGGSA-N 1 0 354.248 3.704 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000179671974 939913301 /nfs/dbraw/zinc/91/33/01/939913301.db2.gz DVFNZPIBNTWWRO-HNNXBMFYSA-N 1 0 371.437 3.980 20 5 FHBDRO CC1([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCCC1 ZINC000518262821 945283126 /nfs/dbraw/zinc/28/31/26/945283126.db2.gz WKADUCMFZYAWIS-UHFFFAOYSA-N 1 0 360.195 3.622 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000062368786 940027684 /nfs/dbraw/zinc/02/76/84/940027684.db2.gz RZIWEOGLZXJJIA-UHFFFAOYSA-N 1 0 374.416 3.638 20 5 FHBDRO Cc1c(NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000062374544 940030626 /nfs/dbraw/zinc/03/06/26/940030626.db2.gz YUCZUSMNCKVRNK-UHFFFAOYSA-N 1 0 374.416 3.638 20 5 FHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411538065 940063941 /nfs/dbraw/zinc/06/39/41/940063941.db2.gz VXKBZFNCJIVMOL-UHFFFAOYSA-N 1 0 353.422 3.511 20 5 FHBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000236615823 940084069 /nfs/dbraw/zinc/08/40/69/940084069.db2.gz MKCKNSCQGJEZKC-GOSISDBHSA-N 1 0 371.437 3.833 20 5 FHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000548934099 940099784 /nfs/dbraw/zinc/09/97/84/940099784.db2.gz REGKNMPEOWWQGC-QFIPXVFZSA-N 1 0 364.445 3.826 20 5 FHBDRO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411809097 940123778 /nfs/dbraw/zinc/12/37/78/940123778.db2.gz SYTJKRCVKGCSDO-VXGBXAGGSA-N 1 0 359.348 3.586 20 5 FHBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccccc2)Cc2ccc(F)cc2)c1 ZINC000472438547 940128767 /nfs/dbraw/zinc/12/87/67/940128767.db2.gz HXTWNVLMCDIVRN-UHFFFAOYSA-N 1 0 354.385 3.633 20 5 FHBDRO CSc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000507521480 945298795 /nfs/dbraw/zinc/29/87/95/945298795.db2.gz YLTRGROOQQYWAQ-ACJLOTCBSA-N 1 0 371.462 3.773 20 5 FHBDRO NC(=O)c1cccc(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000180039027 940305972 /nfs/dbraw/zinc/30/59/72/940305972.db2.gz YZNBNLCNDRGPJQ-HXUWFJFHSA-N 1 0 361.401 3.573 20 5 FHBDRO Cc1c(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)cccc1[N+](=O)[O-] ZINC000412004908 940339728 /nfs/dbraw/zinc/33/97/28/940339728.db2.gz DNQFLVGPERJKSP-HXUWFJFHSA-N 1 0 370.449 3.523 20 5 FHBDRO O=[N+]([O-])c1cccc([C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)c1 ZINC000180095192 940468236 /nfs/dbraw/zinc/46/82/36/940468236.db2.gz QWLJLZDONMSOLU-IIBYNOLFSA-N 1 0 351.450 3.758 20 5 FHBDRO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000580237749 940470362 /nfs/dbraw/zinc/47/03/62/940470362.db2.gz DLLWIMAQRDWFMS-GHXNOFRVSA-N 1 0 354.332 3.503 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000581131980 940495884 /nfs/dbraw/zinc/49/58/84/940495884.db2.gz CZGXGPNYBLBZRB-APWZRJJASA-N 1 0 367.449 3.544 20 5 FHBDRO C[C@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000177977378 940496948 /nfs/dbraw/zinc/49/69/48/940496948.db2.gz CCWJHHPVYCGVMO-GJZGRUSLSA-N 1 0 363.458 3.893 20 5 FHBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](c2c(Cl)cccc2Cl)C2CC2)n1 ZINC000581695717 940589036 /nfs/dbraw/zinc/58/90/36/940589036.db2.gz YVVRVPOZFRSGFR-HNNXBMFYSA-N 1 0 355.225 3.839 20 5 FHBDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000613389249 940657090 /nfs/dbraw/zinc/65/70/90/940657090.db2.gz FYKBXYIGNBBUBE-LIRRHRJNSA-N 1 0 367.405 3.504 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000582374089 940661914 /nfs/dbraw/zinc/66/19/14/940661914.db2.gz ZDTXFOJQQPXUDR-OAHLLOKOSA-N 1 0 371.412 3.860 20 5 FHBDRO C[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N1CCc2sccc2C1 ZINC000519611470 945341359 /nfs/dbraw/zinc/34/13/59/945341359.db2.gz LIYCGZFEUPGCLL-DYVFJYSZSA-N 1 0 357.479 3.680 20 5 FHBDRO CC[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000414266177 940863710 /nfs/dbraw/zinc/86/37/10/940863710.db2.gz RIVTUPCXNMLZPP-WFASDCNBSA-N 1 0 370.375 3.986 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc(C2CC2)s1 ZINC000414321517 940961646 /nfs/dbraw/zinc/96/16/46/940961646.db2.gz FDEVSZVQKJRVFD-ZFWWWQNUSA-N 1 0 358.467 3.825 20 5 FHBDRO CCN(C(=O)c1cc(C)ccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186305713 940979470 /nfs/dbraw/zinc/97/94/70/940979470.db2.gz WGDIJINLRDGJPN-SFHVURJKSA-N 1 0 367.449 3.640 20 5 FHBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000066676269 940998157 /nfs/dbraw/zinc/99/81/57/940998157.db2.gz ALDMYAISMGNIHK-UHFFFAOYSA-N 1 0 367.449 3.579 20 5 FHBDRO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCc1nc(-c2ccccc2)no1 ZINC000583051259 941010077 /nfs/dbraw/zinc/01/00/77/941010077.db2.gz HHTDGCLZWUKYGP-XFFZJAGNSA-N 1 0 364.405 3.833 20 5 FHBDRO Cc1ccc(CN(C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000180422768 941010317 /nfs/dbraw/zinc/01/03/17/941010317.db2.gz IATXFWWGFDCHRT-INIZCTEOSA-N 1 0 367.449 3.745 20 5 FHBDRO [NH3+]CCc1cn(-c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)c2ccc(O)cc12 ZINC001167986526 945367613 /nfs/dbraw/zinc/36/76/13/945367613.db2.gz YQUCKZDZFLYGBB-UHFFFAOYSA-N 1 0 365.311 3.764 20 5 FHBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180438842 941014527 /nfs/dbraw/zinc/01/45/27/941014527.db2.gz AFWGVCKYJZGQCH-SNVBAGLBSA-N 1 0 351.765 3.677 20 5 FHBDRO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180443162 941015138 /nfs/dbraw/zinc/01/51/38/941015138.db2.gz CMPCSHVEDCATSQ-DYVFJYSZSA-N 1 0 373.478 3.843 20 5 FHBDRO COC(=O)COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000467185635 941022794 /nfs/dbraw/zinc/02/27/94/941022794.db2.gz GOKYQHFJUFIUPV-ZIAGYGMSSA-N 1 0 358.394 3.558 20 5 FHBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000176583756 941060304 /nfs/dbraw/zinc/06/03/04/941060304.db2.gz HMNCLZXOQFCYQK-GOEBONIOSA-N 1 0 371.412 3.517 20 5 FHBDRO CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2)ncn1 ZINC000180774314 941074800 /nfs/dbraw/zinc/07/48/00/941074800.db2.gz WZYTZEXYQLEDRA-YJBOKZPZSA-N 1 0 369.469 3.575 20 5 FHBDRO CCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1F ZINC000472611748 941096815 /nfs/dbraw/zinc/09/68/15/941096815.db2.gz WAWLOEXQLHCFEU-JKSUJKDBSA-N 1 0 362.405 3.603 20 5 FHBDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000564323455 941097785 /nfs/dbraw/zinc/09/77/85/941097785.db2.gz KBOLMLNXFGHHMF-INIZCTEOSA-N 1 0 371.437 3.593 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCN([C@H](C)c3cccc(F)c3)CC2)n1 ZINC000541005295 941099187 /nfs/dbraw/zinc/09/91/87/941099187.db2.gz NLXNSXQUPRNUBF-OAHLLOKOSA-N 1 0 358.417 3.629 20 5 FHBDRO CC(C)(C)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000181056384 941106490 /nfs/dbraw/zinc/10/64/90/941106490.db2.gz XOQFABLHJNPYCI-QGZVFWFLSA-N 1 0 359.401 3.710 20 5 FHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000181221816 941114620 /nfs/dbraw/zinc/11/46/20/941114620.db2.gz CFJANPSWHXFHTJ-UHFFFAOYSA-N 1 0 365.499 3.509 20 5 FHBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000189518529 941159507 /nfs/dbraw/zinc/15/95/07/941159507.db2.gz JSYIPAAEDQYUIN-RDJZCZTQSA-N 1 0 365.499 3.886 20 5 FHBDRO CC[C@@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000311310769 941224427 /nfs/dbraw/zinc/22/44/27/941224427.db2.gz VBSOCJBLSFLYLU-IAGOWNOFSA-N 1 0 363.458 3.939 20 5 FHBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000311380907 941268190 /nfs/dbraw/zinc/26/81/90/941268190.db2.gz KCVNKSUTJMWGGU-MRXNPFEDSA-N 1 0 363.458 3.720 20 5 FHBDRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000122268934 941364675 /nfs/dbraw/zinc/36/46/75/941364675.db2.gz LDRSZYQODQBMQT-UHFFFAOYSA-N 1 0 362.474 3.961 20 5 FHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000414643876 941427599 /nfs/dbraw/zinc/42/75/99/941427599.db2.gz LIHFGAPZFFMXEN-HNNXBMFYSA-N 1 0 352.394 3.840 20 5 FHBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000415190690 941665041 /nfs/dbraw/zinc/66/50/41/941665041.db2.gz IPXONKVMSJFKEC-UONOGXRCSA-N 1 0 370.409 3.588 20 5 FHBDRO CN(C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H](C[NH3+])C1CC1 ZINC000415200238 941670168 /nfs/dbraw/zinc/67/01/68/941670168.db2.gz WYJIQXJBCYSCEE-SFHVURJKSA-N 1 0 370.409 3.588 20 5 FHBDRO Cc1cc(-c2noc([C@@H](C)[NH2+]CCc3ccc([N+](=O)[O-])cc3)n2)ccc1F ZINC000513202580 941779307 /nfs/dbraw/zinc/77/93/07/941779307.db2.gz XFHQMHQIFZFHRK-CYBMUJFWSA-N 1 0 370.384 3.986 20 5 FHBDRO CCCN(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000415440671 941823793 /nfs/dbraw/zinc/82/37/93/941823793.db2.gz OLFNDZLZDWUFFD-UHFFFAOYSA-N 1 0 374.363 3.610 20 5 FHBDRO CO[C@H](CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(F)(F)F ZINC000468618153 941947678 /nfs/dbraw/zinc/94/76/78/941947678.db2.gz KQSCCCHMJNTIBN-OAHLLOKOSA-N 1 0 358.316 3.912 20 5 FHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c2c(c1)COCO2 ZINC000513461202 941948787 /nfs/dbraw/zinc/94/87/87/941948787.db2.gz KSFSNQUAIDEDQF-CQSZACIVSA-N 1 0 358.369 3.590 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000182660175 941949302 /nfs/dbraw/zinc/94/93/02/941949302.db2.gz NJKDRHGNCMEJSC-DOTOQJQBSA-N 1 0 373.497 3.935 20 5 FHBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCN(C2CC2)C1 ZINC000513472812 941952496 /nfs/dbraw/zinc/95/24/96/941952496.db2.gz MOTAHKJIXJIDBO-KRWDZBQOSA-N 1 0 357.479 3.992 20 5 FHBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCN(C3CC3)C2)ccc1Oc1ccc(F)cc1 ZINC000517545128 941958492 /nfs/dbraw/zinc/95/84/92/941958492.db2.gz CWHBCOUVLNUPNY-MRXNPFEDSA-N 1 0 371.412 3.853 20 5 FHBDRO CC(C)(C)c1ccc(NC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000415703603 942006296 /nfs/dbraw/zinc/00/62/96/942006296.db2.gz QWSXMCMQIFCSPV-CABCVRRESA-N 1 0 374.485 3.746 20 5 FHBDRO CC(C)(C)c1ccc(NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000415703606 942006822 /nfs/dbraw/zinc/00/68/22/942006822.db2.gz QWSXMCMQIFCSPV-HUUCEWRRSA-N 1 0 374.485 3.746 20 5 FHBDRO CC(C)(C)c1ccc(NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000415703775 942009202 /nfs/dbraw/zinc/00/92/02/942009202.db2.gz RJUCESKOIBAUON-OAHLLOKOSA-N 1 0 374.485 3.746 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]([NH3+])c1ccccc1CC ZINC000415767302 942042882 /nfs/dbraw/zinc/04/28/82/942042882.db2.gz UHEKHTULMZSUSU-KRWDZBQOSA-N 1 0 356.426 3.541 20 5 FHBDRO C[C@@]1(c2ccc(F)cc2)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000501868610 942089454 /nfs/dbraw/zinc/08/94/54/942089454.db2.gz CHGJZULRXZGKIY-HXUWFJFHSA-N 1 0 371.412 3.726 20 5 FHBDRO C[NH2+]Cc1ccccc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000415914042 942136692 /nfs/dbraw/zinc/13/66/92/942136692.db2.gz UCXXLGBBBWPENW-UHFFFAOYSA-N 1 0 354.410 3.511 20 5 FHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415993615 942238703 /nfs/dbraw/zinc/23/87/03/942238703.db2.gz FIJYVCPSZJUFEB-UHFFFAOYSA-N 1 0 354.410 3.641 20 5 FHBDRO CC(C)(C)c1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000501086752 942291284 /nfs/dbraw/zinc/29/12/84/942291284.db2.gz XAGXIHZBJFVAKI-LSDHHAIUSA-N 1 0 360.458 3.641 20 5 FHBDRO CC(C)(C)c1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000501082179 942301233 /nfs/dbraw/zinc/30/12/33/942301233.db2.gz HZNVGXIKZNLYQK-UHFFFAOYSA-N 1 0 374.485 3.984 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1CC(OC(C)(C)C)C1 ZINC000421016287 942305902 /nfs/dbraw/zinc/30/59/02/942305902.db2.gz UNAXSASVKLVDFC-UHFFFAOYSA-N 1 0 363.458 3.510 20 5 FHBDRO CC[C@@H](C)[N@H+](C)CCNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000237025531 942332016 /nfs/dbraw/zinc/33/20/16/942332016.db2.gz KWTZCGMOALYQSX-CQSZACIVSA-N 1 0 361.442 3.683 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000181580631 942341549 /nfs/dbraw/zinc/34/15/49/942341549.db2.gz MWAATUCCEFRTMI-LBPRGKRZSA-N 1 0 363.364 3.861 20 5 FHBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)(C)C[NH+]1CCCC1 ZINC000416103142 942349278 /nfs/dbraw/zinc/34/92/78/942349278.db2.gz IFVJYVQZTHLTJP-UHFFFAOYSA-N 1 0 373.375 3.560 20 5 FHBDRO O=[N+]([O-])c1cnc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c(F)c1 ZINC000413185601 942438289 /nfs/dbraw/zinc/43/82/89/942438289.db2.gz QPMWYYAAVLROLV-HXUWFJFHSA-N 1 0 370.428 3.621 20 5 FHBDRO COc1ccc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(C)c1OC ZINC000513716439 942521175 /nfs/dbraw/zinc/52/11/75/942521175.db2.gz BUWWQBOEFMFOKS-CQSZACIVSA-N 1 0 360.410 3.650 20 5 FHBDRO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000501554684 942546562 /nfs/dbraw/zinc/54/65/62/942546562.db2.gz NBAAGHFREDKEGT-INIZCTEOSA-N 1 0 362.474 3.563 20 5 FHBDRO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000501554686 942546696 /nfs/dbraw/zinc/54/66/96/942546696.db2.gz NBAAGHFREDKEGT-MRXNPFEDSA-N 1 0 362.474 3.563 20 5 FHBDRO CC[C@H](c1ccccc1)[N@H+](CC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541271884 942548229 /nfs/dbraw/zinc/54/82/29/942548229.db2.gz GOEOXNPZTPTBHW-QZTJIDSGSA-N 1 0 358.438 3.808 20 5 FHBDRO CN(c1ccccc1)c1ccc(CN2CC[C@]23CCOC3)cc1[N+](=O)[O-] ZINC000421404272 942555182 /nfs/dbraw/zinc/55/51/82/942555182.db2.gz YQXABOHMVAARCJ-HXUWFJFHSA-N 1 0 353.422 3.728 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000421513724 942619663 /nfs/dbraw/zinc/61/96/63/942619663.db2.gz QINGJXPUDQUMPO-JKSUJKDBSA-N 1 0 359.470 3.594 20 5 FHBDRO CC(C)Oc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2F)[NH+](C)C)cc1 ZINC000413303839 942638532 /nfs/dbraw/zinc/63/85/32/942638532.db2.gz RBJSQFHLOKNYET-QGZVFWFLSA-N 1 0 362.405 3.631 20 5 FHBDRO O=C(NCCC[NH+]1CCCCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549424475 942683475 /nfs/dbraw/zinc/68/34/75/942683475.db2.gz HIUPUMIJIIAPKY-UHFFFAOYSA-N 1 0 373.375 3.610 20 5 FHBDRO O=C(CC[NH+]1CCC(F)(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000434494755 942711016 /nfs/dbraw/zinc/71/10/16/942711016.db2.gz QBNJDJQTHCRCED-UHFFFAOYSA-N 1 0 371.412 3.884 20 5 FHBDRO Cc1ccccc1[C@@]1(F)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000502874618 942806020 /nfs/dbraw/zinc/80/60/20/942806020.db2.gz HZVQJTKRIFVAKV-HXUWFJFHSA-N 1 0 371.412 3.803 20 5 FHBDRO Cc1cc(N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000514189154 942814223 /nfs/dbraw/zinc/81/42/23/942814223.db2.gz FBTLKFIMLZIYQI-UHFFFAOYSA-N 1 0 374.529 3.536 20 5 FHBDRO Cn1cc(C[N@H+](C)CC2(O)CCCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000190139267 942821900 /nfs/dbraw/zinc/82/19/00/942821900.db2.gz ZNSLGFBYOAORPF-UHFFFAOYSA-N 1 0 372.469 3.512 20 5 FHBDRO O=[N+]([O-])c1cccc([C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2)c1 ZINC000378494346 942826755 /nfs/dbraw/zinc/82/67/55/942826755.db2.gz KXJUKPAXOZSNRW-QKNQBKEWSA-N 1 0 351.450 3.901 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000421790656 942827740 /nfs/dbraw/zinc/82/77/40/942827740.db2.gz FWUQPGYCKREWER-UHFFFAOYSA-N 1 0 373.497 3.940 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C1(OC)CCOCC1 ZINC000421856317 942848612 /nfs/dbraw/zinc/84/86/12/942848612.db2.gz AMACIRYRYJUDOU-LSDHHAIUSA-N 1 0 368.499 3.639 20 5 FHBDRO Cc1c(C(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000514244592 942859425 /nfs/dbraw/zinc/85/94/25/942859425.db2.gz KJTOINGQMIASBI-UHFFFAOYSA-N 1 0 355.438 3.544 20 5 FHBDRO COc1cc(CNC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000414850467 942865877 /nfs/dbraw/zinc/86/58/77/942865877.db2.gz SHQWLWPSZZQQEI-QGZVFWFLSA-N 1 0 373.453 3.525 20 5 FHBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1ccco1 ZINC000422099229 942988401 /nfs/dbraw/zinc/98/84/01/942988401.db2.gz NOHWANYDTDSPQS-HOCLYGCPSA-N 1 0 359.426 3.664 20 5 FHBDRO CC[C@H](O)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000422091302 942995096 /nfs/dbraw/zinc/99/50/96/942995096.db2.gz WGENABBTPQHGHL-ZDUSSCGKSA-N 1 0 350.802 3.901 20 5 FHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503199824 943049487 /nfs/dbraw/zinc/04/94/87/943049487.db2.gz XSJQVSWTDPBFGV-HZPDHXFCSA-N 1 0 355.438 3.807 20 5 FHBDRO Cn1cc(C[N@@H+]2CCSC(C)(C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435047950 943118976 /nfs/dbraw/zinc/11/89/76/943118976.db2.gz FMHYARJFKGCVMR-UHFFFAOYSA-N 1 0 360.483 3.713 20 5 FHBDRO CC[N@H+](C)[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000183751869 943125004 /nfs/dbraw/zinc/12/50/04/943125004.db2.gz MCECIYXRRGMGAG-KRWDZBQOSA-N 1 0 361.829 3.557 20 5 FHBDRO COc1cc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000503371503 943145339 /nfs/dbraw/zinc/14/53/39/943145339.db2.gz BRNLQBACBQSYLB-INIZCTEOSA-N 1 0 370.453 3.516 20 5 FHBDRO COc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1Br ZINC000048068872 943203827 /nfs/dbraw/zinc/20/38/27/943203827.db2.gz XUJPMVHXBIDGIH-UHFFFAOYSA-N 1 0 351.200 3.656 20 5 FHBDRO COC[C@H]1CCCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000468698040 943341907 /nfs/dbraw/zinc/34/19/07/943341907.db2.gz CWIXHKGDFYRCFX-AWEZNQCLSA-N 1 0 361.467 3.967 20 5 FHBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000417140083 943367783 /nfs/dbraw/zinc/36/77/83/943367783.db2.gz PHEFYBFZJPNJSO-IFXJQAMLSA-N 1 0 370.453 3.778 20 5 FHBDRO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423088495 943389355 /nfs/dbraw/zinc/38/93/55/943389355.db2.gz QHXRLURRPDOJCC-PXAZEXFGSA-N 1 0 367.371 3.662 20 5 FHBDRO C[C@H]([NH2+][C@@H](Cn1ccccc1=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000503937165 943425911 /nfs/dbraw/zinc/42/59/11/943425911.db2.gz LGMWJJCNVLFVRP-JXFKEZNVSA-N 1 0 363.417 3.849 20 5 FHBDRO C[C@@H]([NH2+][C@H](Cn1ccccc1=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000503947464 943431015 /nfs/dbraw/zinc/43/10/15/943431015.db2.gz LUIDOJWFUXOCFM-OXQOHEQNSA-N 1 0 363.417 3.849 20 5 FHBDRO C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000504030847 943475137 /nfs/dbraw/zinc/47/51/37/943475137.db2.gz DWYDPQSNMVCOMC-KXQLTZBTSA-N 1 0 351.406 3.844 20 5 FHBDRO CCc1ccc([C@H](NC[C@@]2(C)CCC[NH2+]C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423344970 943478631 /nfs/dbraw/zinc/47/86/31/943478631.db2.gz OPZCETKBCAPYEP-UXHICEINSA-N 1 0 357.454 3.819 20 5 FHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000423351629 943487074 /nfs/dbraw/zinc/48/70/74/943487074.db2.gz IPVJGKHQUVGNOI-YJYMSZOUSA-N 1 0 368.437 3.561 20 5 FHBDRO C[C@H](N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000423368033 943493859 /nfs/dbraw/zinc/49/38/59/943493859.db2.gz MVPAUJMPRBZEQT-MOFZMDFASA-N 1 0 361.392 3.669 20 5 FHBDRO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000423375643 943503934 /nfs/dbraw/zinc/50/39/34/943503934.db2.gz UNODGWHBYCSROQ-JOKNJTHLSA-N 1 0 361.392 3.669 20 5 FHBDRO Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417309710 943506660 /nfs/dbraw/zinc/50/66/60/943506660.db2.gz JWCDVDMOVRYFCH-FQEVSTJZSA-N 1 0 356.470 3.935 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)CCCC2 ZINC000417309067 943506985 /nfs/dbraw/zinc/50/69/85/943506985.db2.gz DGHDQEUMIGCTNE-KRWDZBQOSA-N 1 0 371.403 3.979 20 5 FHBDRO COc1ccc([C@@H](CO)C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417361938 943541930 /nfs/dbraw/zinc/54/19/30/943541930.db2.gz KUOAAWNTNWSVKM-UTKZUKDTSA-N 1 0 370.449 3.737 20 5 FHBDRO CC(C)(CO)[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000566476350 943573183 /nfs/dbraw/zinc/57/31/83/943573183.db2.gz XWXSSGVHFGRFKN-RBUKOAKNSA-N 1 0 354.450 3.974 20 5 FHBDRO C[S@@](=O)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCC1 ZINC000435752633 943585950 /nfs/dbraw/zinc/58/59/50/943585950.db2.gz YUCIKUJAWPFSDA-XMMPIXPASA-N 1 0 364.492 3.714 20 5 FHBDRO C[NH+](C)CCC1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425408307 943606592 /nfs/dbraw/zinc/60/65/92/943606592.db2.gz RRHBKTZMSDBVOI-UHFFFAOYSA-N 1 0 370.291 3.521 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000303040732 943641022 /nfs/dbraw/zinc/64/10/22/943641022.db2.gz STSBXEWSXRUTFX-SFHVURJKSA-N 1 0 367.449 3.939 20 5 FHBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000515327849 943791448 /nfs/dbraw/zinc/79/14/48/943791448.db2.gz DFHJLYHXTCMONN-CYBMUJFWSA-N 1 0 366.421 3.928 20 5 FHBDRO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000424346339 943875591 /nfs/dbraw/zinc/87/55/91/943875591.db2.gz JMKPHMFNKHRYSX-WDYCEAGBSA-N 1 0 354.454 3.976 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn2c(n1)CCCC2 ZINC000504893507 943891929 /nfs/dbraw/zinc/89/19/29/943891929.db2.gz GJMWTHZAYQRKSC-HNNXBMFYSA-N 1 0 374.510 3.831 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]CCN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000504895638 943893484 /nfs/dbraw/zinc/89/34/84/943893484.db2.gz VRJKROAFNXOXAT-MRXNPFEDSA-N 1 0 369.465 3.702 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)COCC(F)(F)F)cc1[N+](=O)[O-] ZINC000504922061 943900720 /nfs/dbraw/zinc/90/07/20/943900720.db2.gz XDPJDMLXGSJJAB-QWRGUYRKSA-N 1 0 350.337 3.612 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)c1ccccc1 ZINC000504905683 943903198 /nfs/dbraw/zinc/90/31/98/943903198.db2.gz MJDOZJVUKMPJNH-SJORKVTESA-N 1 0 360.479 3.831 20 5 FHBDRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000436050807 943973819 /nfs/dbraw/zinc/97/38/19/943973819.db2.gz KKCZCXZAVKICON-CABCVRRESA-N 1 0 360.483 3.532 20 5 FHBDRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000436050810 943973986 /nfs/dbraw/zinc/97/39/86/943973986.db2.gz KKCZCXZAVKICON-LSDHHAIUSA-N 1 0 360.483 3.532 20 5 FHBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000893327705 944014358 /nfs/dbraw/zinc/01/43/58/944014358.db2.gz DVRKAYYTDFXPJO-NWANDNLSSA-N 1 0 374.359 3.595 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1OC(F)F ZINC000092657723 944136956 /nfs/dbraw/zinc/13/69/56/944136956.db2.gz ZCOUOLPIKDIOQK-ZDUSSCGKSA-N 1 0 355.385 3.508 20 5 FHBDRO C[NH+](C)[C@@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])c1cccc(F)c1 ZINC000436273041 944171798 /nfs/dbraw/zinc/17/17/98/944171798.db2.gz IONCKTNNVTUVLG-ZDUSSCGKSA-N 1 0 372.322 3.863 20 5 FHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000436298653 944182500 /nfs/dbraw/zinc/18/25/00/944182500.db2.gz ZMRVIIIFZYOZDA-IIAWOOMASA-N 1 0 371.412 3.987 20 5 FHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)n1 ZINC000436302034 944186474 /nfs/dbraw/zinc/18/64/74/944186474.db2.gz QPFQYCMJEIGASB-VDHUWJSZSA-N 1 0 358.417 3.950 20 5 FHBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC(C[NH+]2CCCCC2)CC1 ZINC000436314688 944192722 /nfs/dbraw/zinc/19/27/22/944192722.db2.gz RNOIAWIWXTXVOE-UHFFFAOYSA-N 1 0 372.391 3.711 20 5 FHBDRO Nc1c(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc(F)cc1[N+](=O)[O-] ZINC000517340084 944218464 /nfs/dbraw/zinc/21/84/64/944218464.db2.gz XARQWMFITPGRJT-UHFFFAOYSA-N 1 0 372.400 3.554 20 5 FHBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000517358805 944229418 /nfs/dbraw/zinc/22/94/18/944229418.db2.gz YXBCZCDCDLQIKG-ZIAGYGMSSA-N 1 0 371.462 3.555 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000436403289 944280166 /nfs/dbraw/zinc/28/01/66/944280166.db2.gz IHBIFOCMFWTIBY-DURLZJIISA-N 1 0 358.360 3.681 20 5 FHBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000436410791 944298402 /nfs/dbraw/zinc/29/84/02/944298402.db2.gz PIKPVWYNFUNGFC-CMPLNLGQSA-N 1 0 362.348 3.823 20 5 FHBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000506482493 944332302 /nfs/dbraw/zinc/33/23/02/944332302.db2.gz TVHHDXYCVYMAON-QRGKHIHXSA-N 1 0 351.450 3.814 20 5 FHBDRO C[NH+](C)CCOc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000500267249 944367692 /nfs/dbraw/zinc/36/76/92/944367692.db2.gz DJHBHYGHUNBWEU-UHFFFAOYSA-N 1 0 369.377 3.534 20 5 FHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cc(-c3ccccc3)on2)n1 ZINC000425955365 944390914 /nfs/dbraw/zinc/39/09/14/944390914.db2.gz ZDOUIHXMCCBVAH-IRXDYDNUSA-N 1 0 367.409 3.720 20 5 FHBDRO Cc1c(C[NH2+]C[C@H](O)COc2ccccc2C(C)C)cccc1[N+](=O)[O-] ZINC000516049940 944452860 /nfs/dbraw/zinc/45/28/60/944452860.db2.gz FIXPDVWXSQPYDM-KRWDZBQOSA-N 1 0 358.438 3.556 20 5 FHBDRO Cn1ncc2ccc(C[NH2+][C@H]3CCC[C@@H]3Cc3ccccc3[N+](=O)[O-])cc21 ZINC000517640176 944460901 /nfs/dbraw/zinc/46/09/01/944460901.db2.gz RGHWRPBEZSFZMC-APWZRJJASA-N 1 0 364.449 3.983 20 5 FHBDRO CCC[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000159124914 944475363 /nfs/dbraw/zinc/47/53/63/944475363.db2.gz XSULGLWZCZMWGG-WOJBJXKFSA-N 1 0 369.465 3.725 20 5 FHBDRO COC[C@]1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)OCCc2ccccc21 ZINC000518623260 944552585 /nfs/dbraw/zinc/55/25/85/944552585.db2.gz BQCKJBVCCLEOFV-IERDGZPVSA-N 1 0 370.449 3.668 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505874719 944572845 /nfs/dbraw/zinc/57/28/45/944572845.db2.gz MWIGICGPZAMVIN-INIZCTEOSA-N 1 0 356.422 3.894 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+](CCO)Cc3cccc(F)c3)o2)c1 ZINC000426371308 944575904 /nfs/dbraw/zinc/57/59/04/944575904.db2.gz KCFPSMZQVFMSCA-UHFFFAOYSA-N 1 0 370.380 3.988 20 5 FHBDRO COc1ccc(NC(=O)CC[N@H+](C)C[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000066854662 944631317 /nfs/dbraw/zinc/63/13/17/944631317.db2.gz BZPJBQFLHPDSHM-HNNXBMFYSA-N 1 0 371.437 3.668 20 5 FHBDRO CCC(CC)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000517806951 944632060 /nfs/dbraw/zinc/63/20/60/944632060.db2.gz WOVPRLOUUFKGDA-OAHLLOKOSA-N 1 0 356.854 3.736 20 5 FHBDRO Cc1c(C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000311314058 944638532 /nfs/dbraw/zinc/63/85/32/944638532.db2.gz AHXKQOXOWLLGOO-JKSUJKDBSA-N 1 0 363.458 3.686 20 5 FHBDRO C[C@H](C[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000066853574 944642369 /nfs/dbraw/zinc/64/23/69/944642369.db2.gz ZIEGTODKQIPSEJ-CQSZACIVSA-N 1 0 352.394 3.880 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C[C@H](C)c1ccccc1 ZINC000066854636 944642418 /nfs/dbraw/zinc/64/24/18/944642418.db2.gz OMZNJNLZNMEOBX-GJZGRUSLSA-N 1 0 371.437 3.666 20 5 FHBDRO CSCc1cccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000516278422 944651085 /nfs/dbraw/zinc/65/10/85/944651085.db2.gz UNAUTGCYXREIKK-UHFFFAOYSA-N 1 0 359.451 3.576 20 5 FHBDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000506947112 944787276 /nfs/dbraw/zinc/78/72/76/944787276.db2.gz SKDZJATXMVPWPX-OEPMTFCVSA-N 1 0 373.840 3.871 20 5 FHBDRO CC(C)(C)[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000506979759 944827114 /nfs/dbraw/zinc/82/71/14/944827114.db2.gz VVWFRBRBUJUDBW-HXUWFJFHSA-N 1 0 367.449 3.861 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cnc(-c4ccccc4)[nH]3)c2c1 ZINC000518827036 944836239 /nfs/dbraw/zinc/83/62/39/944836239.db2.gz HXXOJKTZQQFWKD-UHFFFAOYSA-N 1 0 361.405 3.799 20 5 FHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000053749555 944851846 /nfs/dbraw/zinc/85/18/46/944851846.db2.gz AFFOJSCNKWILQL-PBHICJAKSA-N 1 0 354.410 3.552 20 5 FHBDRO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426880394 944901526 /nfs/dbraw/zinc/90/15/26/944901526.db2.gz BSOYDYXRXOKLEQ-LJQANCHMSA-N 1 0 367.405 3.952 20 5 FHBDRO C[C@H]1C[NH2+]CC[C@H]1NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414944930 944970434 /nfs/dbraw/zinc/97/04/34/944970434.db2.gz QRXRLHQPWRUIMW-SUMWQHHRSA-N 1 0 359.401 3.614 20 5 FHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000437081534 944997363 /nfs/dbraw/zinc/99/73/63/944997363.db2.gz YBWMTETZBRRZRG-SJKOYZFVSA-N 1 0 373.384 3.564 20 5 FHBDRO C[C@H]1C[C@@H](NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414951296 945014208 /nfs/dbraw/zinc/01/42/08/945014208.db2.gz POJUYLVUEZJMPL-RDJZCZTQSA-N 1 0 354.454 3.593 20 5 FHBDRO O=C(CN1CCC(Cc2ccc(F)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000507173713 945022215 /nfs/dbraw/zinc/02/22/15/945022215.db2.gz ATIDHTGULICQMN-UHFFFAOYSA-N 1 0 371.412 3.627 20 5 FHBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000437845840 945034898 /nfs/dbraw/zinc/03/48/98/945034898.db2.gz KKTDRCPEGLPMFJ-QGZVFWFLSA-N 1 0 371.437 3.868 20 5 FHBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(C)cc1 ZINC000181710288 945377209 /nfs/dbraw/zinc/37/72/09/945377209.db2.gz KWVBYUMRQLDARC-QGZVFWFLSA-N 1 0 371.437 3.981 20 5 FHBDRO CC[C@H](C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000519488681 945460918 /nfs/dbraw/zinc/46/09/18/945460918.db2.gz RXCNQWVYMHQSPN-CRAIPNDOSA-N 1 0 355.438 3.683 20 5 FHBDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000507697630 945461448 /nfs/dbraw/zinc/46/14/48/945461448.db2.gz KMDIKMHVPJBVEZ-UKRRQHHQSA-N 1 0 360.385 3.729 20 5 FHBDRO COc1cccc([C@H](C)[NH+]2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000507687709 945469411 /nfs/dbraw/zinc/46/94/11/945469411.db2.gz JKXZXDNYIBQMGS-KRWDZBQOSA-N 1 0 369.465 3.525 20 5 FHBDRO C[C@H](O)[C@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000507706890 945480959 /nfs/dbraw/zinc/48/09/59/945480959.db2.gz ZXTWIPIRONIZAH-RDJZCZTQSA-N 1 0 355.438 3.565 20 5 FHBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ncc(Br)cc1F ZINC000427534234 945485940 /nfs/dbraw/zinc/48/59/40/945485940.db2.gz ORUDJRDMFSGDPL-SNVBAGLBSA-N 1 0 368.206 3.785 20 5 FHBDRO CC[C@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181751176 945647050 /nfs/dbraw/zinc/64/70/50/945647050.db2.gz RNLQGEDKFMWKEN-KUHUBIRLSA-N 1 0 351.410 3.977 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cn4cc(Cl)ccc4n3)c2c1 ZINC000519726896 945680789 /nfs/dbraw/zinc/68/07/89/945680789.db2.gz NLPQCZNVIBVPSF-UHFFFAOYSA-N 1 0 369.812 3.710 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)o1 ZINC000121220665 945721179 /nfs/dbraw/zinc/72/11/79/945721179.db2.gz PFTPICUULJBUFC-CQSZACIVSA-N 1 0 352.394 3.958 20 5 FHBDRO CC(C)c1ccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000574440080 945801042 /nfs/dbraw/zinc/80/10/42/945801042.db2.gz NJCNYTDTSREOAG-LPHOPBHVSA-N 1 0 372.425 3.694 20 5 FHBDRO C[C@H]([NH2+][C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000549535362 945823151 /nfs/dbraw/zinc/82/31/51/945823151.db2.gz FDXZJUBZFPCPHZ-CKFHNAJUSA-N 1 0 371.412 3.747 20 5 FHBDRO C[C@H](NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000108466241 945980779 /nfs/dbraw/zinc/98/07/79/945980779.db2.gz SGACSPOMGUEWKX-CVEARBPZSA-N 1 0 362.474 3.610 20 5 FHBDRO CN1CC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000125447788 946063021 /nfs/dbraw/zinc/06/30/21/946063021.db2.gz YSYXZFNPYPKAHP-ZBFHGGJFSA-N 1 0 351.859 3.845 20 5 FHBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cccc(Br)c1 ZINC000520058918 946068061 /nfs/dbraw/zinc/06/80/61/946068061.db2.gz NUWMECCVUHZVIR-UHFFFAOYSA-N 1 0 365.227 3.868 20 5 FHBDRO CC[NH+](CC)[C@H](C)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000236871508 946079865 /nfs/dbraw/zinc/07/98/65/946079865.db2.gz LRHFZULZHPCBMX-CQSZACIVSA-N 1 0 361.442 3.683 20 5 FHBDRO Cc1ccc(C[C@H](C)[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000444226958 946094570 /nfs/dbraw/zinc/09/45/70/946094570.db2.gz PTBFHGLANXTLGW-INIZCTEOSA-N 1 0 355.438 3.713 20 5 FHBDRO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000444236961 946109343 /nfs/dbraw/zinc/10/93/43/946109343.db2.gz IYDICLCDPQRDSE-RBUKOAKNSA-N 1 0 367.449 3.770 20 5 FHBDRO CC(C)[N@H+](CCC(=O)N(C)c1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000441142586 946253387 /nfs/dbraw/zinc/25/33/87/946253387.db2.gz NIMMNTCBJGAZAS-UHFFFAOYSA-N 1 0 355.438 3.858 20 5 FHBDRO C/C(=C\C(=O)NCCCC[N@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000785284476 946267012 /nfs/dbraw/zinc/26/70/12/946267012.db2.gz XKKLMSMGMBYLLQ-INFVRCAFSA-N 1 0 359.470 3.769 20 5 FHBDRO Cc1cccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1[N+](=O)[O-] ZINC000109486243 946304397 /nfs/dbraw/zinc/30/43/97/946304397.db2.gz OXZQXFNHJRBRAA-UHFFFAOYSA-N 1 0 371.462 3.704 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000093907106 946314723 /nfs/dbraw/zinc/31/47/23/946314723.db2.gz JXIWVPVORZDRHR-QGZVFWFLSA-N 1 0 373.428 3.692 20 5 FHBDRO Cc1nc2c(s1)[C@@H](N(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CCC2 ZINC000111312259 946437043 /nfs/dbraw/zinc/43/70/43/946437043.db2.gz HOVMWLUMEZITTC-INIZCTEOSA-N 1 0 374.466 3.616 20 5 FHBDRO Cn1cc(C[NH2+]C[C@H]2CCc3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000111390397 946447398 /nfs/dbraw/zinc/44/73/98/946447398.db2.gz VEIPMSKCHWDLCT-QGZVFWFLSA-N 1 0 362.433 3.815 20 5 FHBDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000047904781 946448523 /nfs/dbraw/zinc/44/85/23/946448523.db2.gz OXWACZWJYWXHDM-UHFFFAOYSA-N 1 0 353.422 3.640 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000475142905 946490165 /nfs/dbraw/zinc/49/01/65/946490165.db2.gz BUVWWBDFJIAPDM-HZPDHXFCSA-N 1 0 363.458 3.736 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000104700356 946583211 /nfs/dbraw/zinc/58/32/11/946583211.db2.gz YQCPOPRDMGTWRM-FQEVSTJZSA-N 1 0 353.422 3.973 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186588453 946604802 /nfs/dbraw/zinc/60/48/02/946604802.db2.gz CTFXZIBMMNHUOT-QPJJXVBHSA-N 1 0 370.424 3.817 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000475545820 946629998 /nfs/dbraw/zinc/62/99/98/946629998.db2.gz CBBPGCBKPDGSGV-INIZCTEOSA-N 1 0 362.455 3.698 20 5 FHBDRO COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000475235863 946757642 /nfs/dbraw/zinc/75/76/42/946757642.db2.gz QBWKVSFXJLQDGO-OLZOCXBDSA-N 1 0 354.410 3.762 20 5 FHBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(OC)cc1 ZINC000181816306 946865780 /nfs/dbraw/zinc/86/57/80/946865780.db2.gz SNCIWPIAGSTECN-SFHVURJKSA-N 1 0 371.437 3.981 20 5 FHBDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000129763621 946907917 /nfs/dbraw/zinc/90/79/17/946907917.db2.gz LNBHZBMWFZWFBW-YJBOKZPZSA-N 1 0 373.478 3.778 20 5 FHBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000909604130 946932309 /nfs/dbraw/zinc/93/23/09/946932309.db2.gz NSMWJCPRTDQCKC-ZDUSSCGKSA-N 1 0 359.401 3.846 20 5 FHBDRO COc1ccc(OC(F)F)c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000112710193 946932400 /nfs/dbraw/zinc/93/24/00/946932400.db2.gz QTERQHPCJZKXRW-UHFFFAOYSA-N 1 0 352.337 3.537 20 5 FHBDRO CCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000475356205 946937123 /nfs/dbraw/zinc/93/71/23/946937123.db2.gz SEDSLKGWPGXTKI-IRXDYDNUSA-N 1 0 364.490 3.668 20 5 FHBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000054260418 947017895 /nfs/dbraw/zinc/01/78/95/947017895.db2.gz HACZNQDBVXMMGN-BETUJISGSA-N 1 0 367.877 3.735 20 5 FHBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCCc3ccc(Cl)cc3)C2)nc1 ZINC000440495514 947066170 /nfs/dbraw/zinc/06/61/70/947066170.db2.gz CAONQPGBWROHQH-INIZCTEOSA-N 1 0 360.845 3.762 20 5 FHBDRO COc1ccccc1C[C@@H](C)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000441427713 947087630 /nfs/dbraw/zinc/08/76/30/947087630.db2.gz HPQDWWNRZNLNEN-MRXNPFEDSA-N 1 0 358.438 3.935 20 5 FHBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-n2cccn2)cc1 ZINC000444687186 947089452 /nfs/dbraw/zinc/08/94/52/947089452.db2.gz UKXJSQNYSPIDLK-ZDUSSCGKSA-N 1 0 362.393 3.508 20 5 FHBDRO COc1ccc(C[C@H](C)C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000444674305 947098751 /nfs/dbraw/zinc/09/87/51/947098751.db2.gz KISLUAOFZGLZFM-AWEZNQCLSA-N 1 0 368.437 3.790 20 5 FHBDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444674863 947099650 /nfs/dbraw/zinc/09/96/50/947099650.db2.gz LYLWCWILYDLRIS-ADLMAVQZSA-N 1 0 374.828 3.990 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444692783 947116353 /nfs/dbraw/zinc/11/63/53/947116353.db2.gz NHWWTXIDKISSJS-UHFFFAOYSA-N 1 0 363.364 3.642 20 5 FHBDRO Cc1ccc(F)c(C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000444743866 947180161 /nfs/dbraw/zinc/18/01/61/947180161.db2.gz NCDMLGDXQWLMGO-UHFFFAOYSA-N 1 0 359.401 3.811 20 5 FHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000444779241 947193535 /nfs/dbraw/zinc/19/35/35/947193535.db2.gz BEHOHQHFKKQVQC-QGZVFWFLSA-N 1 0 354.450 3.973 20 5 FHBDRO C[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248373561 947221256 /nfs/dbraw/zinc/22/12/56/947221256.db2.gz JSOZAGAAAMYIFK-CZUORRHYSA-N 1 0 364.829 3.681 20 5 FHBDRO C[C@@H](c1cc2ccccc2o1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248374644 947222939 /nfs/dbraw/zinc/22/29/39/947222939.db2.gz SERZMLUVYYJUGY-GOEBONIOSA-N 1 0 370.405 3.774 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000072810934 947351885 /nfs/dbraw/zinc/35/18/85/947351885.db2.gz ZFIVKZJAOFIIKL-IRXDYDNUSA-N 1 0 359.470 3.630 20 5 FHBDRO Cc1cccnc1[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000120910030 947421240 /nfs/dbraw/zinc/42/12/40/947421240.db2.gz WAIDUYCIKKZFJY-GOSISDBHSA-N 1 0 356.426 3.614 20 5 FHBDRO CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072837795 947569768 /nfs/dbraw/zinc/56/97/68/947569768.db2.gz UORBXCABYGZWPT-AAEUAGOBSA-N 1 0 371.890 3.793 20 5 FHBDRO Cc1ccnc(NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)c1[N+](=O)[O-] ZINC000523755413 947571510 /nfs/dbraw/zinc/57/15/10/947571510.db2.gz YMLOXNATFYKWPI-UHFFFAOYSA-N 1 0 362.474 3.524 20 5 FHBDRO CCOc1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2C)cc1[N+](=O)[O-] ZINC000909616290 947589852 /nfs/dbraw/zinc/58/98/52/947589852.db2.gz IIYYYAGSOSFWRE-UHFFFAOYSA-N 1 0 357.410 3.616 20 5 FHBDRO CC(C)(C)c1ccc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000536380338 947852635 /nfs/dbraw/zinc/85/26/35/947852635.db2.gz WWMHNAUKJJYSJW-IBGZPJMESA-N 1 0 369.465 3.891 20 5 FHBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCc1ccccc1 ZINC000053047723 947990302 /nfs/dbraw/zinc/99/03/02/947990302.db2.gz YYRQLCUDCZRGLX-ZDUSSCGKSA-N 1 0 361.829 3.750 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)Cc3cc(C)n[nH]3)o2)c([N+](=O)[O-])c1 ZINC000136788278 947995454 /nfs/dbraw/zinc/99/54/54/947995454.db2.gz ZSWHZPGXBNPPFO-LBPRGKRZSA-N 1 0 370.409 3.616 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H](O)Cc3ccccc3)o2)c1 ZINC000105492959 948045284 /nfs/dbraw/zinc/04/52/84/948045284.db2.gz XVZIXELYMLADMU-SFHVURJKSA-N 1 0 352.390 3.548 20 5 FHBDRO Cc1cc(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)c(C)o1 ZINC000441497666 948085068 /nfs/dbraw/zinc/08/50/68/948085068.db2.gz CQBWXZMIMMASKE-CQSZACIVSA-N 1 0 371.437 3.760 20 5 FHBDRO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136914591 948090786 /nfs/dbraw/zinc/09/07/86/948090786.db2.gz BNONEJKJRWCCTH-MRXNPFEDSA-N 1 0 370.327 3.659 20 5 FHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000184665842 948119411 /nfs/dbraw/zinc/11/94/11/948119411.db2.gz YIMBRTJIXGWIHU-IBGZPJMESA-N 1 0 369.465 3.542 20 5 FHBDRO O=[N+]([O-])c1cccc2c(N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccnc21 ZINC000432341329 948165390 /nfs/dbraw/zinc/16/53/90/948165390.db2.gz WGMIKDAXUBKGHF-RHSMWYFYSA-N 1 0 352.438 3.596 20 5 FHBDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000432361281 948214436 /nfs/dbraw/zinc/21/44/36/948214436.db2.gz CQHNIMVWRDOLNM-MAUKXSAKSA-N 1 0 355.438 3.877 20 5 FHBDRO COc1ccc([C@H](C[NH+](C)C)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000585744638 948249357 /nfs/dbraw/zinc/24/93/57/948249357.db2.gz VNMKCBDPQVAZDE-SFHVURJKSA-N 1 0 363.845 3.649 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)C1CC1 ZINC000585765550 948277161 /nfs/dbraw/zinc/27/71/61/948277161.db2.gz PRXDXUVHVDDUBQ-SFHVURJKSA-N 1 0 350.422 3.625 20 5 FHBDRO CC[N@H+](Cc1c[nH]c2ccccc12)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000190454927 948318458 /nfs/dbraw/zinc/31/84/58/948318458.db2.gz HTBDJGSVDORHJF-AWEZNQCLSA-N 1 0 366.421 3.925 20 5 FHBDRO COCC(C)(C)[NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000066996045 948502483 /nfs/dbraw/zinc/50/24/83/948502483.db2.gz NLCMGLITICYVSZ-UHFFFAOYSA-N 1 0 374.437 3.697 20 5 FHBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087129082 948592674 /nfs/dbraw/zinc/59/26/74/948592674.db2.gz TWLZSSDOTCXAOT-UHFFFAOYSA-N 1 0 369.465 3.684 20 5 FHBDRO CCOc1ccc(NC(=O)CN2CCC[C@@]3(CC=CCC3)C2)c([N+](=O)[O-])c1 ZINC000512176293 948663199 /nfs/dbraw/zinc/66/31/99/948663199.db2.gz UVZBBDISEMFIQC-FQEVSTJZSA-N 1 0 373.453 3.754 20 5 FHBDRO Cc1ncc(CN2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3C)[C@H](C)C2)s1 ZINC000359971858 223141312 /nfs/dbraw/zinc/14/13/12/223141312.db2.gz DCZLWNWPSJPBMX-KUHUBIRLSA-N 1 0 374.510 3.668 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000107584665 222397510 /nfs/dbraw/zinc/39/75/10/222397510.db2.gz CPNRNXHHTQJZLK-CQSZACIVSA-N 1 0 373.478 3.961 20 5 FHBDRO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000452865219 567833794 /nfs/dbraw/zinc/83/37/94/567833794.db2.gz WRDDJIPMMPCVGI-LJQANCHMSA-N 1 0 367.449 3.676 20 5 FHBDRO C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000452862603 567835484 /nfs/dbraw/zinc/83/54/84/567835484.db2.gz UXXCXSBWMNWPLL-IBGZPJMESA-N 1 0 367.449 3.676 20 5 FHBDRO Cc1ncc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000601938193 567881011 /nfs/dbraw/zinc/88/10/11/567881011.db2.gz YEJSMCFOBMKSNX-BDAKNGLRSA-N 1 0 368.846 3.691 20 5 FHBDRO Cc1c(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000481479080 567975448 /nfs/dbraw/zinc/97/54/48/567975448.db2.gz PLGBLRBDAQMWJT-FQEVSTJZSA-N 1 0 367.449 3.574 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291035131 567985612 /nfs/dbraw/zinc/98/56/12/567985612.db2.gz FRCGFGKMYYSLMK-HNNXBMFYSA-N 1 0 368.437 3.674 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000481571044 568052712 /nfs/dbraw/zinc/05/27/12/568052712.db2.gz LHAYSZUCFSWYMA-QAPCUYQASA-N 1 0 355.438 3.773 20 5 FHBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCN(C/C=C\c2ccccc2)CC1 ZINC000603837001 568159713 /nfs/dbraw/zinc/15/97/13/568159713.db2.gz QFIXYRRZCHLVEN-YVMONPNESA-N 1 0 374.444 3.978 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000481990155 568215874 /nfs/dbraw/zinc/21/58/74/568215874.db2.gz IMRIFKHGDOQNAD-MOPGFXCFSA-N 1 0 366.465 3.789 20 5 FHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2c[nH]c3ccc(F)cc23)n1 ZINC000482005622 568226354 /nfs/dbraw/zinc/22/63/54/568226354.db2.gz KMLHFPYWNCRQJC-ROUUACIJSA-N 1 0 371.416 3.728 20 5 FHBDRO C[C@H](C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000568942305 568256384 /nfs/dbraw/zinc/25/63/84/568256384.db2.gz RHMIUAFFFILDEX-XHSDSOJGSA-N 1 0 361.486 3.571 20 5 FHBDRO Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c(-n2cc(Cl)cn2)n1 ZINC000190303742 568258813 /nfs/dbraw/zinc/25/88/13/568258813.db2.gz HYSNKNLXCIJNLH-UHFFFAOYSA-N 1 0 371.828 3.736 20 5 FHBDRO COc1ccc(-c2n[nH]cc2C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000584687774 568264316 /nfs/dbraw/zinc/26/43/16/568264316.db2.gz MZZPEISWJSGZBJ-UHFFFAOYSA-N 1 0 366.421 3.668 20 5 FHBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(CC)CC ZINC000482129973 568269582 /nfs/dbraw/zinc/26/95/82/568269582.db2.gz CZIOIKKJPPEHNI-JKSUJKDBSA-N 1 0 374.441 3.718 20 5 FHBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(CC)CC ZINC000482135153 568276658 /nfs/dbraw/zinc/27/66/58/568276658.db2.gz MUOUGNYBOFIXHD-CVEARBPZSA-N 1 0 374.441 3.718 20 5 FHBDRO C[NH+](C)Cc1ccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1 ZINC000541994079 568302559 /nfs/dbraw/zinc/30/25/59/568302559.db2.gz RJKRGZSCVGQTCU-UHFFFAOYSA-N 1 0 365.336 3.510 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000604562480 568311682 /nfs/dbraw/zinc/31/16/82/568311682.db2.gz VEPXXLVMCBRLRT-UHFFFAOYSA-N 1 0 359.470 3.631 20 5 FHBDRO COc1cccc(-c2nc(-c3ccc(F)c(C[NH+](C)C)c3)no2)c1[N+](=O)[O-] ZINC000569766646 568422594 /nfs/dbraw/zinc/42/25/94/568422594.db2.gz GDQGOPGQHLSUAB-UHFFFAOYSA-N 1 0 372.356 3.521 20 5 FHBDRO [NH3+]CCN(Cc1ccc(OCC(F)(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000570727313 568509220 /nfs/dbraw/zinc/50/92/20/568509220.db2.gz ABWVOZJSOFEWHB-UHFFFAOYSA-N 1 0 369.343 3.501 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc2c(c1)OCCCO2)C1CC1 ZINC000482259896 568538767 /nfs/dbraw/zinc/53/87/67/568538767.db2.gz HSWAJLXUWSMCQC-GOSISDBHSA-N 1 0 368.433 3.867 20 5 FHBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC([NH+]2CCCCC2)CC1 ZINC000050009377 568657554 /nfs/dbraw/zinc/65/75/54/568657554.db2.gz NYWOAGJZCHDSHZ-UHFFFAOYSA-N 1 0 373.478 3.900 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164621406 719056597 /nfs/dbraw/zinc/05/65/97/719056597.db2.gz JCYADDNBEWNBEU-CRAIPNDOSA-N 1 0 372.856 3.744 20 5 FHBDRO Cc1cnc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c([N+](=O)[O-])c1 ZINC000431511669 936336279 /nfs/dbraw/zinc/33/62/79/936336279.db2.gz BTQRIRCYBXHDGT-UHFFFAOYSA-N 1 0 366.465 3.791 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1CCC(F)(F)CC1 ZINC000572909136 936344593 /nfs/dbraw/zinc/34/45/93/936344593.db2.gz DGAUEVNNOHGBEO-UHFFFAOYSA-N 1 0 355.385 3.742 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000430196226 927865589 /nfs/dbraw/zinc/86/55/89/927865589.db2.gz QNGOBCGEXBOHHK-UHFFFAOYSA-N 1 0 355.438 3.704 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000430203950 927999928 /nfs/dbraw/zinc/99/99/28/927999928.db2.gz PXZOFUKHPXGDIQ-DNVCBOLYSA-N 1 0 356.422 3.861 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000120298517 928019776 /nfs/dbraw/zinc/01/97/76/928019776.db2.gz KKKRIBQYQCGVLS-CVEARBPZSA-N 1 0 374.485 3.986 20 5 FHBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000520848638 928024193 /nfs/dbraw/zinc/02/41/93/928024193.db2.gz MJZYHDOLTDEQND-INIZCTEOSA-N 1 0 360.414 3.701 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000430211633 928121567 /nfs/dbraw/zinc/12/15/67/928121567.db2.gz XXUUAFQZKJCCLN-UHFFFAOYSA-N 1 0 366.421 3.859 20 5 FHBDRO COc1cccc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3OC)CC2)c1 ZINC000430223169 928285766 /nfs/dbraw/zinc/28/57/66/928285766.db2.gz FKVYNAHCDFWRMH-UHFFFAOYSA-N 1 0 356.422 3.992 20 5 FHBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000175756653 928320255 /nfs/dbraw/zinc/32/02/55/928320255.db2.gz QQPKLPBKDDSFIU-AWEZNQCLSA-N 1 0 371.824 3.873 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CCO)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000154291475 928693058 /nfs/dbraw/zinc/69/30/58/928693058.db2.gz AREHDASKTDSDLP-KBXCAEBGSA-N 1 0 374.437 3.776 20 5 FHBDRO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cn2)n1 ZINC000162791176 937295033 /nfs/dbraw/zinc/29/50/33/937295033.db2.gz VJRXELIWSYWQEM-INIZCTEOSA-N 1 0 365.437 3.952 20 5 FHBDRO CC[N@H+](Cc1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])cc1)C(C)C ZINC000110123987 937305857 /nfs/dbraw/zinc/30/58/57/937305857.db2.gz SUTLZRQXYQDMRP-UHFFFAOYSA-N 1 0 355.438 3.755 20 5 FHBDRO CCc1ccc([C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C(C)C)cc1 ZINC000023674600 929692101 /nfs/dbraw/zinc/69/21/01/929692101.db2.gz RNSFGNITKKSDCR-PZJWPPBQSA-N 1 0 372.465 3.884 20 5 FHBDRO CC[NH+](CC)CCCCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275644729 929697125 /nfs/dbraw/zinc/69/71/25/929697125.db2.gz WZTVPRPPFWZSOO-UHFFFAOYSA-N 1 0 365.477 3.945 20 5 FHBDRO CC[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000176690543 937370141 /nfs/dbraw/zinc/37/01/41/937370141.db2.gz OBKUMLVSDKRSRX-NZSAHSFTSA-N 1 0 374.485 3.703 20 5 FHBDRO C[C@@H](NC(=O)Nc1ccccc1CC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000275716817 929978774 /nfs/dbraw/zinc/97/87/74/929978774.db2.gz VIXIQPMJRXCLQM-CQSZACIVSA-N 1 0 356.426 3.582 20 5 FHBDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000471538533 930240438 /nfs/dbraw/zinc/24/04/38/930240438.db2.gz PALOAIKCGXRNTB-KSSFIOAISA-N 1 0 360.845 3.772 20 5 FHBDRO CC[N@H+](CCC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000536134041 930244571 /nfs/dbraw/zinc/24/45/71/930244571.db2.gz PIZUBDSYSMUNNG-UHFFFAOYSA-N 1 0 374.485 3.961 20 5 FHBDRO CCc1cc(NCCC[N@H+](C)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064914125 930311033 /nfs/dbraw/zinc/31/10/33/930311033.db2.gz JKAPQJMMGYXVAU-UHFFFAOYSA-N 1 0 357.458 3.756 20 5 FHBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC001167367141 930354265 /nfs/dbraw/zinc/35/42/65/930354265.db2.gz BSGUWVCTCXTQIT-KKSFZXQISA-N 1 0 367.449 3.976 20 5 FHBDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)NC ZINC000610420399 930487057 /nfs/dbraw/zinc/48/70/57/930487057.db2.gz OBEDQSCBBGBKRV-RHSMWYFYSA-N 1 0 371.437 3.522 20 5 FHBDRO O=C(NC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000255424385 930522268 /nfs/dbraw/zinc/52/22/68/930522268.db2.gz ZWIAJMRONUDRPW-POHAHGRESA-N 1 0 365.433 3.502 20 5 FHBDRO C[C@H]([NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000536837229 930674436 /nfs/dbraw/zinc/67/44/36/930674436.db2.gz DYARZGJSHWRMFP-MEDUHNTESA-N 1 0 354.328 3.998 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000610446413 930818390 /nfs/dbraw/zinc/81/83/90/930818390.db2.gz XXRJZMNYFALSJQ-KRWDZBQOSA-N 1 0 367.449 3.640 20 5 FHBDRO C[C@H]1CCCN(c2ccc(-c3nc(C4([NH3+])CCCC4)no3)cc2[N+](=O)[O-])C1 ZINC000261885650 930882379 /nfs/dbraw/zinc/88/23/79/930882379.db2.gz WVGWFXRIOJYBHB-ZDUSSCGKSA-N 1 0 371.441 3.609 20 5 FHBDRO C[NH2+][C@@H]1CCCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000261918643 930906854 /nfs/dbraw/zinc/90/68/54/930906854.db2.gz BIWOZTYTRPBPOQ-MRXNPFEDSA-N 1 0 359.401 3.710 20 5 FHBDRO CC[C@@H]([NH2+]CC(=O)Nc1cc(C)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000177815334 931194155 /nfs/dbraw/zinc/19/41/55/931194155.db2.gz ZDYJXDXEHHMRQD-MRXNPFEDSA-N 1 0 357.410 3.591 20 5 FHBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccc(C(=O)N(C)C)cc1 ZINC000255885405 931321781 /nfs/dbraw/zinc/32/17/81/931321781.db2.gz OILIKBDEQYFXOI-CLFYSBASSA-N 1 0 367.449 3.832 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2c3ccccc3CC23CCOCC3)cc1 ZINC000581040090 931512818 /nfs/dbraw/zinc/51/28/18/931512818.db2.gz HGWVKUBZSLOUIY-FQEVSTJZSA-N 1 0 352.434 3.821 20 5 FHBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000126216322 931619967 /nfs/dbraw/zinc/61/99/67/931619967.db2.gz GFAJFIZROSMVJJ-RIFZZMRRSA-N 1 0 368.481 3.859 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000157013669 931774612 /nfs/dbraw/zinc/77/46/12/931774612.db2.gz FHKWAZUECAGZIG-AWEZNQCLSA-N 1 0 374.466 3.568 20 5 FHBDRO CC[C@H]([NH2+]CC(=O)N1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000177983967 931945393 /nfs/dbraw/zinc/94/53/93/931945393.db2.gz XMJMWOUDLOSDHF-SFHVURJKSA-N 1 0 353.422 3.615 20 5 FHBDRO C[C@@H]([NH2+][C@@H](CO)c1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000933249212 931974329 /nfs/dbraw/zinc/97/43/29/931974329.db2.gz WVUANGSRQDWHHY-BZNIZROVSA-N 1 0 354.328 3.998 20 5 FHBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000610390099 932009410 /nfs/dbraw/zinc/00/94/10/932009410.db2.gz GNVWJDCVEADUAQ-KRWDZBQOSA-N 1 0 358.394 3.525 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@H](C[NH+]4CCCCCC4)C3)nc2c1 ZINC000548180273 932140569 /nfs/dbraw/zinc/14/05/69/932140569.db2.gz DFSJHMFLTRFBCF-INIZCTEOSA-N 1 0 371.485 3.559 20 5 FHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000077247592 932208567 /nfs/dbraw/zinc/20/85/67/932208567.db2.gz QCNLTHOGNRNTNR-CQSZACIVSA-N 1 0 352.394 3.880 20 5 FHBDRO CCOc1cc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000610515861 932333629 /nfs/dbraw/zinc/33/36/29/932333629.db2.gz CJGNYHCEGAZSFF-SFHVURJKSA-N 1 0 355.438 3.704 20 5 FHBDRO COC[C@@H](C)[N@H+](C)Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000510441716 932389032 /nfs/dbraw/zinc/38/90/32/932389032.db2.gz GVURKDFNYLNYLT-OAHLLOKOSA-N 1 0 374.437 3.649 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CSCC[NH+](C(C)C)C(C)C ZINC000160994541 932494024 /nfs/dbraw/zinc/49/40/24/932494024.db2.gz LJMGQLFLECXSFH-UHFFFAOYSA-N 1 0 353.488 3.694 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134610288 932534399 /nfs/dbraw/zinc/53/43/99/932534399.db2.gz GHIYAWCFECMRRA-CYBMUJFWSA-N 1 0 353.850 3.633 20 5 FHBDRO Cc1sc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000430654453 932614363 /nfs/dbraw/zinc/61/43/63/932614363.db2.gz RTIMHEDBONVMBG-BBRMVZONSA-N 1 0 373.478 3.748 20 5 FHBDRO Cc1c(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000134645101 932766245 /nfs/dbraw/zinc/76/62/45/932766245.db2.gz SVXCQFBBVAXVJQ-BBRMVZONSA-N 1 0 363.458 3.781 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@H]([NH+]3CCCC3)C2)o1 ZINC000510470994 932806861 /nfs/dbraw/zinc/80/68/61/932806861.db2.gz ZLFPXGAKNAURFJ-INIZCTEOSA-N 1 0 355.438 3.915 20 5 FHBDRO C[C@H]1CC[C@H](C)[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001167487427 932849604 /nfs/dbraw/zinc/84/96/04/932849604.db2.gz LXSWMKFFXKYXNH-QWRGUYRKSA-N 1 0 350.806 3.919 20 5 FHBDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178206023 932878981 /nfs/dbraw/zinc/87/89/81/932878981.db2.gz ZUIRXZOFYRYCPO-CYBMUJFWSA-N 1 0 353.378 3.939 20 5 FHBDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178206402 932880215 /nfs/dbraw/zinc/88/02/15/932880215.db2.gz BPHWELSUFBFSPQ-QGZVFWFLSA-N 1 0 359.401 3.529 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000276679259 932923443 /nfs/dbraw/zinc/92/34/43/932923443.db2.gz OPOKTPJUWYZONI-ZDUSSCGKSA-N 1 0 367.858 3.651 20 5 FHBDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000276726858 933064252 /nfs/dbraw/zinc/06/42/52/933064252.db2.gz DUTLDPLJDDIOIL-CQSZACIVSA-N 1 0 362.451 3.548 20 5 FHBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000588446421 933160918 /nfs/dbraw/zinc/16/09/18/933160918.db2.gz AHBRELGSOIBTGC-PFONDFGASA-N 1 0 357.454 3.521 20 5 FHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000510630102 933326669 /nfs/dbraw/zinc/32/66/69/933326669.db2.gz NZVLFDDKBHONDE-INIZCTEOSA-N 1 0 369.412 3.647 20 5 FHBDRO COc1ccc(C[NH2+][C@@H](C)CCc2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000510706855 933477035 /nfs/dbraw/zinc/47/70/35/933477035.db2.gz VGYNJIBAUDSQBQ-LBPRGKRZSA-N 1 0 350.365 3.993 20 5 FHBDRO COc1ccc([C@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C(C)C)cc1 ZINC000510779893 933719281 /nfs/dbraw/zinc/71/92/81/933719281.db2.gz PXZFRLSJYYWMQF-LJQANCHMSA-N 1 0 371.437 3.837 20 5 FHBDRO C[C@H]([NH2+][C@@H]1CC2CCC1CC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000431078129 933805910 /nfs/dbraw/zinc/80/59/10/933805910.db2.gz RSCSLYDLRLODGR-CNSPOBLWSA-N 1 0 351.834 3.744 20 5 FHBDRO COc1cc(N2CCC(C[NH+]3CCCCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000610715022 933901296 /nfs/dbraw/zinc/90/12/96/933901296.db2.gz OWQALFFPFIOZPE-UHFFFAOYSA-N 1 0 365.449 3.835 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@H]4COCC[C@@H]43)cs2)c1 ZINC000535800474 934395532 /nfs/dbraw/zinc/39/55/32/934395532.db2.gz BNIDSJCXZLGQNH-YOEHRIQHSA-N 1 0 359.451 3.719 20 5 FHBDRO COc1nc(C)cc(C)c1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000610809634 934450451 /nfs/dbraw/zinc/45/04/51/934450451.db2.gz JJEWBZCGLFEQBV-SFHVURJKSA-N 1 0 355.438 3.726 20 5 FHBDRO Cc1noc(C[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277108372 934492961 /nfs/dbraw/zinc/49/29/61/934492961.db2.gz MHXOBKNTOYXPQS-SCLBCKFNSA-N 1 0 352.394 3.921 20 5 FHBDRO Cc1cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)ccc1C[NH+](C)C ZINC000458259551 934535534 /nfs/dbraw/zinc/53/55/34/934535534.db2.gz GTUYNQOLKRFPNP-ZDUSSCGKSA-N 1 0 359.401 3.846 20 5 FHBDRO Cn1cc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cn1 ZINC000098173315 934679376 /nfs/dbraw/zinc/67/93/76/934679376.db2.gz INUKYUDVONNREH-UHFFFAOYSA-N 1 0 356.357 3.550 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000538717981 934897461 /nfs/dbraw/zinc/89/74/61/934897461.db2.gz MFOYBJIXJCWNBI-HNNXBMFYSA-N 1 0 356.422 3.992 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cccn3)cc2)cc1[N+](=O)[O-] ZINC000178503266 934958935 /nfs/dbraw/zinc/95/89/35/934958935.db2.gz LYWQLSSSEFTSRV-INIZCTEOSA-N 1 0 350.422 3.999 20 5 FHBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cc(Br)cs1 ZINC000065534666 934964055 /nfs/dbraw/zinc/96/40/55/934964055.db2.gz COSSHJMZBLAOIN-UHFFFAOYSA-N 1 0 371.256 3.930 20 5 FHBDRO CC[N@H+](CCNc1nc2ccc([N+](=O)[O-])cc2s1)CCC(F)(F)F ZINC000755039923 935050539 /nfs/dbraw/zinc/05/05/39/935050539.db2.gz GWILIWFMXXUYKP-UHFFFAOYSA-N 1 0 362.377 3.891 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000071958540 935094560 /nfs/dbraw/zinc/09/45/60/935094560.db2.gz HBZQKFHJVYVZCO-CQSZACIVSA-N 1 0 373.478 3.961 20 5 FHBDRO CC(C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CCC1 ZINC000119714523 935102549 /nfs/dbraw/zinc/10/25/49/935102549.db2.gz RYKJKLRQHIYRSA-UHFFFAOYSA-N 1 0 370.247 3.559 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000551274307 935243946 /nfs/dbraw/zinc/24/39/46/935243946.db2.gz NTKIVRKGVIDHIG-YOEHRIQHSA-N 1 0 350.459 3.833 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(CC(F)(F)F)CC1 ZINC000551405956 935269642 /nfs/dbraw/zinc/26/96/42/935269642.db2.gz FXQJCPXFBIFQPR-UHFFFAOYSA-N 1 0 373.375 3.896 20 5 FHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000439921246 945091541 /nfs/dbraw/zinc/09/15/41/945091541.db2.gz YOYYMXRKEANQNL-XJKSGUPXSA-N 1 0 372.400 3.691 20 5 FHBDRO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000120023889 935469806 /nfs/dbraw/zinc/46/98/06/935469806.db2.gz KUQXQZLXBRDIQM-QGZVFWFLSA-N 1 0 358.438 3.765 20 5 FHBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000051560293 935477240 /nfs/dbraw/zinc/47/72/40/935477240.db2.gz KTQDRGZXBAQUGU-INIZCTEOSA-N 1 0 370.405 3.582 20 5 FHBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3cccc4ccccc43)CC2)n1 ZINC000478429073 935632042 /nfs/dbraw/zinc/63/20/42/935632042.db2.gz FKHMTVKJEMZYPW-UHFFFAOYSA-N 1 0 350.422 3.824 20 5 FHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnn(Cc2ccccc2)c1 ZINC000511119838 935675687 /nfs/dbraw/zinc/67/56/87/935675687.db2.gz BBTBJMCQXDVVFW-UHFFFAOYSA-N 1 0 350.422 3.514 20 5 FHBDRO C[C@@H](c1noc(-c2ccccc2)n1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511121878 935690767 /nfs/dbraw/zinc/69/07/67/935690767.db2.gz FMRPPBVAKDASEN-AWEZNQCLSA-N 1 0 352.394 3.880 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000127714662 935753793 /nfs/dbraw/zinc/75/37/93/935753793.db2.gz KXNKRVJOFVGOLZ-AWEZNQCLSA-N 1 0 362.474 3.845 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)n1 ZINC000611617007 935815580 /nfs/dbraw/zinc/81/55/80/935815580.db2.gz VPJDULBQNBHEMB-QGZVFWFLSA-N 1 0 354.454 3.707 20 5 FHBDRO O=C(C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000050273564 935822967 /nfs/dbraw/zinc/82/29/67/935822967.db2.gz ZEBQLRXTSCVKST-GOSISDBHSA-N 1 0 359.813 3.928 20 5 FHBDRO Cc1c(CC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cccc1[N+](=O)[O-] ZINC000158498598 935825327 /nfs/dbraw/zinc/82/53/27/935825327.db2.gz VEUIXUUNHFFIIQ-UHFFFAOYSA-N 1 0 353.422 3.680 20 5 FHBDRO Cc1noc(C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)c2ccccc2)n1 ZINC000277700770 935834161 /nfs/dbraw/zinc/83/41/61/935834161.db2.gz RHFPOUYWRLFVNO-SFHVURJKSA-N 1 0 352.394 3.668 20 5 FHBDRO CC(C)c1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000187754385 935845436 /nfs/dbraw/zinc/84/54/36/935845436.db2.gz DYWBUZXJGDPFPE-QGZVFWFLSA-N 1 0 359.470 3.809 20 5 FHBDRO Cc1c(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cccc1[N+](=O)[O-] ZINC000051855291 935953552 /nfs/dbraw/zinc/95/35/52/935953552.db2.gz RFPVCMKBQGQOMY-OAHLLOKOSA-N 1 0 351.410 3.677 20 5 FHBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)Cc1ccc3ccccc3c1)C2 ZINC000548751924 935955929 /nfs/dbraw/zinc/95/59/29/935955929.db2.gz HHJUPVKKCZPEOQ-FQEVSTJZSA-N 1 0 362.429 3.710 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)C1CC1 ZINC000178644810 936022237 /nfs/dbraw/zinc/02/22/37/936022237.db2.gz NBEYKJLHWMSRJJ-PMACEKPBSA-N 1 0 354.450 3.672 20 5 FHBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCCCC3)CCOCC2)c(Cl)c1 ZINC000076688303 936032977 /nfs/dbraw/zinc/03/29/77/936032977.db2.gz GQNMPOWRJDGYDF-UHFFFAOYSA-N 1 0 353.850 3.695 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000178683211 936199171 /nfs/dbraw/zinc/19/91/71/936199171.db2.gz MAPJTGXFHSWEQB-HOTGVXAUSA-N 1 0 355.438 3.601 20 5 FHBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCCc1ccc(C(F)(F)F)cc1)CC2 ZINC000612469119 936251739 /nfs/dbraw/zinc/25/17/39/936251739.db2.gz WZCPQODGTSWKHS-UHFFFAOYSA-N 1 0 365.355 4.000 20 5 FHBDRO COc1ccc([C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)C)cc1 ZINC000161697057 936291753 /nfs/dbraw/zinc/29/17/53/936291753.db2.gz NOCWYZDFKBRXKY-IBGZPJMESA-N 1 0 372.421 3.957 20 5 FHBDRO C[C@@H]([NH2+]C(C)(C)CNc1nc2ccccn2c1[N+](=O)[O-])c1ccccc1 ZINC000728566981 938254073 /nfs/dbraw/zinc/25/40/73/938254073.db2.gz LAYRLOYCSCZIGG-CQSZACIVSA-N 1 0 353.426 3.784 20 5 FHBDRO CC(C)n1ccc(C[C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000583657558 938346069 /nfs/dbraw/zinc/34/60/69/938346069.db2.gz RWVRABHFHZDYMK-AWEZNQCLSA-N 1 0 355.442 3.617 20 5 FHBDRO Cc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c(-c2cnn(C)c2)c1 ZINC000583884433 938468675 /nfs/dbraw/zinc/46/86/75/938468675.db2.gz OOPHXSPNGPSVHK-UHFFFAOYSA-N 1 0 350.422 3.636 20 5 FHBDRO CCOCCOCc1cccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000584004822 938536145 /nfs/dbraw/zinc/53/61/45/938536145.db2.gz WKVPAPFAXCNLMX-FQEVSTJZSA-N 1 0 370.449 3.925 20 5 FHBDRO Cc1ccccc1C(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000052747746 938551755 /nfs/dbraw/zinc/55/17/55/938551755.db2.gz AWDRQGIZOHALNN-UHFFFAOYSA-N 1 0 367.449 3.606 20 5 FHBDRO COc1ccc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000052866457 938637050 /nfs/dbraw/zinc/63/70/50/938637050.db2.gz GPKCXJGJPCRACL-GOSISDBHSA-N 1 0 356.422 3.785 20 5 FHBDRO O=C(CC[NH2+][C@@H]1CCCOc2cc(F)ccc21)Nc1ccccc1[N+](=O)[O-] ZINC000584405736 938825936 /nfs/dbraw/zinc/82/59/36/938825936.db2.gz XOFODZNPJTWVGB-OAHLLOKOSA-N 1 0 373.384 3.566 20 5 FHBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000278766460 938840198 /nfs/dbraw/zinc/84/01/98/938840198.db2.gz MYIRDAFADPBHDP-LBPRGKRZSA-N 1 0 359.348 3.506 20 5 FHBDRO COc1cc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000093335614 938924844 /nfs/dbraw/zinc/92/48/44/938924844.db2.gz OGTUUXIHFUQXOA-AWEZNQCLSA-N 1 0 360.385 3.741 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000179107424 938943797 /nfs/dbraw/zinc/94/37/97/938943797.db2.gz XKRXQROSUDNFSS-FQEVSTJZSA-N 1 0 353.422 3.973 20 5 FHBDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609442529 939017213 /nfs/dbraw/zinc/01/72/13/939017213.db2.gz QZSDBRRGAOUAGV-UHFFFAOYSA-N 1 0 371.412 3.650 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000472357834 939064244 /nfs/dbraw/zinc/06/42/44/939064244.db2.gz DJNOIBZMZPGOKF-SJLPKXTDSA-N 1 0 367.449 3.795 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000472357835 939064416 /nfs/dbraw/zinc/06/44/16/939064416.db2.gz DJNOIBZMZPGOKF-WMZOPIPTSA-N 1 0 367.449 3.795 20 5 FHBDRO CCC1(C(=O)Nc2cc3oc4cc(=[NH2+])ccc-4nc3c3ccccc23)COC1 ZINC001143461984 939224178 /nfs/dbraw/zinc/22/41/78/939224178.db2.gz QSFSCNNCQSBRTO-UHFFFAOYSA-N 1 0 373.412 3.930 20 5 FHBDRO COc1ccc([C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C(C)C)cc1 ZINC000516796595 945253213 /nfs/dbraw/zinc/25/32/13/945253213.db2.gz MIFUPSBDWFIHBM-LJQANCHMSA-N 1 0 354.410 3.967 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000179527307 939882065 /nfs/dbraw/zinc/88/20/65/939882065.db2.gz LFBWMYGSYUTEJF-OAHLLOKOSA-N 1 0 371.437 3.980 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000179671947 939913520 /nfs/dbraw/zinc/91/35/20/939913520.db2.gz NLBCVXCBHJEGHW-HNNXBMFYSA-N 1 0 371.437 3.980 20 5 FHBDRO Cc1ccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc1[N+](=O)[O-] ZINC000179752941 939930559 /nfs/dbraw/zinc/93/05/59/939930559.db2.gz IZCDHACKFALICQ-UHFFFAOYSA-N 1 0 359.470 3.518 20 5 FHBDRO CC1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[NH+](Cc2ccccc2)C1 ZINC000364424005 939943497 /nfs/dbraw/zinc/94/34/97/939943497.db2.gz YQLSDSTXHYMRDD-UHFFFAOYSA-N 1 0 373.840 3.500 20 5 FHBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3cccnc3)CC2)c2ncccc12 ZINC000278790648 939991050 /nfs/dbraw/zinc/99/10/50/939991050.db2.gz WYSZCAZRLVIJGK-UHFFFAOYSA-N 1 0 363.421 3.615 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+]CC2CCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000188516885 940001433 /nfs/dbraw/zinc/00/14/33/940001433.db2.gz KHJJECUHCYYAPZ-CYBMUJFWSA-N 1 0 359.392 3.828 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)c1ccccc1 ZINC000411140563 940002212 /nfs/dbraw/zinc/00/22/12/940002212.db2.gz XTSIGHCVKZJDMC-AWEZNQCLSA-N 1 0 357.410 3.625 20 5 FHBDRO Cc1cc(-c2noc([C@H]3CCC[N@@H+]3C3CCOCC3)n2)c([N+](=O)[O-])cc1C ZINC000364862155 940011293 /nfs/dbraw/zinc/01/12/93/940011293.db2.gz GDLZQQUJXCNYQR-MRXNPFEDSA-N 1 0 372.425 3.578 20 5 FHBDRO O=C(CC[NH2+]C1(c2cccc(Cl)c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000411475103 940047464 /nfs/dbraw/zinc/04/74/64/940047464.db2.gz ZAVPGGJEBHGVHM-UHFFFAOYSA-N 1 0 359.813 3.856 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000365051197 940049531 /nfs/dbraw/zinc/04/95/31/940049531.db2.gz CHSXUBOLHASNHD-UHFFFAOYSA-N 1 0 360.458 3.740 20 5 FHBDRO C[C@H]([NH2+]CCC(=O)NCc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000411462763 940051051 /nfs/dbraw/zinc/05/10/51/940051051.db2.gz VAXHFHZPVUMLHF-ZDUSSCGKSA-N 1 0 361.829 3.605 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000612444841 940072807 /nfs/dbraw/zinc/07/28/07/940072807.db2.gz WSXNTSGQJGPOAB-HOTGVXAUSA-N 1 0 369.469 3.629 20 5 FHBDRO Cc1ccc([C@@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000136687955 940115621 /nfs/dbraw/zinc/11/56/21/940115621.db2.gz JPDJALJOHLPXDF-MRXNPFEDSA-N 1 0 361.829 3.589 20 5 FHBDRO Cc1c(NC(=O)CC[N@@H+]2CCSC3(CCC3)CC2)cccc1[N+](=O)[O-] ZINC000411872919 940145672 /nfs/dbraw/zinc/14/56/72/940145672.db2.gz WUMHTCDSFIOFPN-UHFFFAOYSA-N 1 0 363.483 3.593 20 5 FHBDRO CC(C)[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccnn1C ZINC000615966830 940151429 /nfs/dbraw/zinc/15/14/29/940151429.db2.gz JMNVCADJRAHWBS-ROUUACIJSA-N 1 0 356.470 3.679 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000612578208 940159027 /nfs/dbraw/zinc/15/90/27/940159027.db2.gz IFUTZEDKKGGWRR-UHFFFAOYSA-N 1 0 359.470 3.564 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000545274453 940332421 /nfs/dbraw/zinc/33/24/21/940332421.db2.gz HJYIKHOWTHJGMQ-RZQQEMMASA-N 1 0 367.449 3.743 20 5 FHBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC000466923140 940460952 /nfs/dbraw/zinc/46/09/52/940460952.db2.gz AAQILMXUUJMSBF-AWEZNQCLSA-N 1 0 370.478 3.998 20 5 FHBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)c1ccc(F)cc1F ZINC000066434593 940486886 /nfs/dbraw/zinc/48/68/86/940486886.db2.gz UZRLDUJTVAFCLZ-GOSISDBHSA-N 1 0 350.365 3.817 20 5 FHBDRO COC(=O)c1cnc([C@@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000414081067 940487037 /nfs/dbraw/zinc/48/70/37/940487037.db2.gz AYYGIUKSWFIVHK-GFCCVEGCSA-N 1 0 363.439 3.511 20 5 FHBDRO C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000177977364 940496907 /nfs/dbraw/zinc/49/69/07/940496907.db2.gz CCWJHHPVYCGVMO-HUUCEWRRSA-N 1 0 363.458 3.893 20 5 FHBDRO C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000177977350 940496958 /nfs/dbraw/zinc/49/69/58/940496958.db2.gz CCWJHHPVYCGVMO-LSDHHAIUSA-N 1 0 363.458 3.893 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000581279610 940498309 /nfs/dbraw/zinc/49/83/09/940498309.db2.gz DYYXSJJOAYPVHZ-WBVHZDCISA-N 1 0 360.458 3.636 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH+]4CCC3CC4)o2)c(Cl)c1 ZINC000581516002 940508131 /nfs/dbraw/zinc/50/81/31/940508131.db2.gz RWYGZDUYINXLIE-UHFFFAOYSA-N 1 0 361.829 3.788 20 5 FHBDRO Cc1ccc([C@@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)[NH+]2CCCC2)o1 ZINC000506793890 945332744 /nfs/dbraw/zinc/33/27/44/945332744.db2.gz CJYMLPZQWJBHJU-GOSISDBHSA-N 1 0 366.421 3.715 20 5 FHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)[C@@H](C)c1ccccc1 ZINC000613390066 940662306 /nfs/dbraw/zinc/66/23/06/940662306.db2.gz VWCPBGQBYXJBHY-KXBFYZLASA-N 1 0 358.438 3.636 20 5 FHBDRO COc1cccc2c1C[C@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C2 ZINC000414178877 940714455 /nfs/dbraw/zinc/71/44/55/940714455.db2.gz KLVDNILSQVAUJZ-MJGOQNOKSA-N 1 0 352.434 3.682 20 5 FHBDRO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCC[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000414201505 940754649 /nfs/dbraw/zinc/75/46/49/940754649.db2.gz SOEFKQHGDBPMAK-YTQUADARSA-N 1 0 354.454 3.834 20 5 FHBDRO CCC(CC)[C@H](O)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000236707061 945355500 /nfs/dbraw/zinc/35/55/00/945355500.db2.gz HOCGIXKOBVZCMW-GOSISDBHSA-N 1 0 362.426 3.750 20 5 FHBDRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000180427625 941012901 /nfs/dbraw/zinc/01/29/01/941012901.db2.gz BTXYYZKKDBBFIZ-STQMWFEESA-N 1 0 361.829 3.776 20 5 FHBDRO C[C@H]([NH2+]CC(=O)Nc1cccc2c1N=S=N2)c1cccc([N+](=O)[O-])c1 ZINC000180439202 941014834 /nfs/dbraw/zinc/01/48/34/941014834.db2.gz JTGSCAAFZODEGE-JTQLQIEISA-N 1 0 357.395 3.611 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000180515086 941039455 /nfs/dbraw/zinc/03/94/55/941039455.db2.gz JCVPIMPLRRDULG-KBPBESRZSA-N 1 0 351.447 3.857 20 5 FHBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])cc2)C1 ZINC000180939269 941094147 /nfs/dbraw/zinc/09/41/47/941094147.db2.gz SLCNLSDWDSOYAC-CQSZACIVSA-N 1 0 368.437 3.661 20 5 FHBDRO Cc1c(C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000311206923 941140234 /nfs/dbraw/zinc/14/02/34/941140234.db2.gz JRGDPKGSGLNVOJ-ZDUSSCGKSA-N 1 0 351.447 3.686 20 5 FHBDRO CC[C@@H](CO)N(Cc1ccccc1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000467189605 941158990 /nfs/dbraw/zinc/15/89/90/941158990.db2.gz BIMHXUGSIZOHDU-INIZCTEOSA-N 1 0 362.401 3.516 20 5 FHBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000189510818 941159504 /nfs/dbraw/zinc/15/95/04/941159504.db2.gz VPMXWYZXDFEOCI-IAGOWNOFSA-N 1 0 365.499 3.886 20 5 FHBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000189518506 941159560 /nfs/dbraw/zinc/15/95/60/941159560.db2.gz JSYIPAAEDQYUIN-DOTOQJQBSA-N 1 0 365.499 3.886 20 5 FHBDRO CC[C@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000311299170 941225597 /nfs/dbraw/zinc/22/55/97/941225597.db2.gz GXOZOSRHNQQLBX-DLBZAZTESA-N 1 0 363.458 3.939 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000189783041 941276866 /nfs/dbraw/zinc/27/68/66/941276866.db2.gz UIHFGICMQLFUNF-VQIMIIECSA-N 1 0 368.437 3.779 20 5 FHBDRO Cc1ccc([C@H]2C[C@H](C)[N@@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)cc1 ZINC000782954250 941331638 /nfs/dbraw/zinc/33/16/38/941331638.db2.gz LVJWEARFQWBSSY-HOCLYGCPSA-N 1 0 367.405 3.647 20 5 FHBDRO CC[C@@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000452185424 941366483 /nfs/dbraw/zinc/36/64/83/941366483.db2.gz MZKWRXWELSDRQG-KXBFYZLASA-N 1 0 355.438 3.683 20 5 FHBDRO COc1cc(N2CCN([C@H](C)c3ccccc3[N+](=O)[O-])CC2)ccc1F ZINC000549119336 941399713 /nfs/dbraw/zinc/39/97/13/941399713.db2.gz SDFQZVHFJNYBTM-CQSZACIVSA-N 1 0 359.401 3.626 20 5 FHBDRO COc1c(O)ccc(C[NH2+]Cc2ccc(OC(C)(C)C)cc2)c1[N+](=O)[O-] ZINC000892723247 941472981 /nfs/dbraw/zinc/47/29/81/941472981.db2.gz JSOSDIYCCAGEBF-UHFFFAOYSA-N 1 0 360.410 3.776 20 5 FHBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC000536221690 941474525 /nfs/dbraw/zinc/47/45/25/941474525.db2.gz RYBFWVOCCFWTMG-UHFFFAOYSA-N 1 0 359.451 3.696 20 5 FHBDRO C[C@@H]1C[C@H](NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414951294 941524763 /nfs/dbraw/zinc/52/47/63/941524763.db2.gz POJUYLVUEZJMPL-NVXWUHKLSA-N 1 0 354.454 3.593 20 5 FHBDRO CCC[C@]1(CO)CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000290264417 941559664 /nfs/dbraw/zinc/55/96/64/941559664.db2.gz XCTHQADPHNTYPS-SFHVURJKSA-N 1 0 361.467 3.703 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@H](CO)C3CCCC3)o2)c([N+](=O)[O-])c1 ZINC000565863098 941663281 /nfs/dbraw/zinc/66/32/81/941663281.db2.gz NKKNYKVAXNDMGT-QGZVFWFLSA-N 1 0 360.410 3.504 20 5 FHBDRO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415196193 941666966 /nfs/dbraw/zinc/66/69/66/941666966.db2.gz RCWXVMFKQZAHGR-CQSZACIVSA-N 1 0 370.409 3.508 20 5 FHBDRO C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC[C@H]1[NH3+] ZINC000415197781 941668763 /nfs/dbraw/zinc/66/87/63/941668763.db2.gz TZASITUTIYFQIO-SCLBCKFNSA-N 1 0 370.409 3.588 20 5 FHBDRO C[C@H]1C[C@H](NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC[NH2+]1 ZINC000415199718 941669503 /nfs/dbraw/zinc/66/95/03/941669503.db2.gz WHJOTRRGXDMQHR-DZGCQCFKSA-N 1 0 370.409 3.649 20 5 FHBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415201109 941670507 /nfs/dbraw/zinc/67/05/07/941670507.db2.gz YGIPHZGCXKORRC-ZIAGYGMSSA-N 1 0 370.409 3.588 20 5 FHBDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000549227267 941678928 /nfs/dbraw/zinc/67/89/28/941678928.db2.gz DDBGLDSEBFYKAZ-WOJBJXKFSA-N 1 0 368.433 3.909 20 5 FHBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCSCC3)CCCC2)c2ncccc12 ZINC000513165852 941717379 /nfs/dbraw/zinc/71/73/79/941717379.db2.gz OBXUDCRRIFESEA-UHFFFAOYSA-N 1 0 372.494 3.917 20 5 FHBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000182335024 941736947 /nfs/dbraw/zinc/73/69/47/941736947.db2.gz PHBBNJVBYXOZDL-UONOGXRCSA-N 1 0 357.410 3.590 20 5 FHBDRO CC[NH+](CC)[C@H](CNc1nc2sccn2c1[N+](=O)[O-])c1ccsc1 ZINC000513179661 941773472 /nfs/dbraw/zinc/77/34/72/941773472.db2.gz UFCPVYKDWOGIAG-GFCCVEGCSA-N 1 0 365.484 3.861 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000513261189 941814230 /nfs/dbraw/zinc/81/42/30/941814230.db2.gz MCTCQNMHQWPKJF-IFXJQAMLSA-N 1 0 353.422 3.925 20 5 FHBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000236773466 941865504 /nfs/dbraw/zinc/86/55/04/941865504.db2.gz MKCKNSCQGJEZKC-SFHVURJKSA-N 1 0 371.437 3.833 20 5 FHBDRO COc1ccccc1O[C@H]1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000513376214 941883463 /nfs/dbraw/zinc/88/34/63/941883463.db2.gz MTPATMSBCGLCHN-INIZCTEOSA-N 1 0 372.421 3.655 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000377667421 941883603 /nfs/dbraw/zinc/88/36/03/941883603.db2.gz JUMWBTNEGZAEQO-HXUWFJFHSA-N 1 0 368.433 3.787 20 5 FHBDRO COc1ccccc1O[C@@H]1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000513376216 941883666 /nfs/dbraw/zinc/88/36/66/941883666.db2.gz MTPATMSBCGLCHN-MRXNPFEDSA-N 1 0 372.421 3.655 20 5 FHBDRO CO[C@H](CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(F)(F)F ZINC000468616474 941921606 /nfs/dbraw/zinc/92/16/06/941921606.db2.gz BOYBDMRZLVCGEC-OAHLLOKOSA-N 1 0 358.316 3.912 20 5 FHBDRO COc1cccc(COCC[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000468617639 941931466 /nfs/dbraw/zinc/93/14/66/941931466.db2.gz HPRRVTCNCDQAQT-WJDWOHSUSA-N 1 0 356.422 3.813 20 5 FHBDRO O=C(CC[NH2+][C@H]1CCCOc2cc(F)ccc21)Nc1ccccc1[N+](=O)[O-] ZINC000584405735 941938885 /nfs/dbraw/zinc/93/88/85/941938885.db2.gz XOFODZNPJTWVGB-HNNXBMFYSA-N 1 0 373.384 3.566 20 5 FHBDRO CCCCN(C)C(=O)C1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182664081 941950621 /nfs/dbraw/zinc/95/06/21/941950621.db2.gz OFFXZHKMKDFQQG-MRXNPFEDSA-N 1 0 361.486 3.935 20 5 FHBDRO Cc1nc(C)n(C[C@H]2CCC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000182756758 941965900 /nfs/dbraw/zinc/96/59/00/941965900.db2.gz NJOSELNDUSCYDR-PBHICJAKSA-N 1 0 357.458 3.585 20 5 FHBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCN(C2CC2)C1 ZINC000513503539 941966957 /nfs/dbraw/zinc/96/69/57/941966957.db2.gz SWMKDAXDRQGRLH-OAHLLOKOSA-N 1 0 357.479 3.992 20 5 FHBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000513543326 942004173 /nfs/dbraw/zinc/00/41/73/942004173.db2.gz RNPLEADGOOVNSE-ABAIWWIYSA-N 1 0 364.377 3.578 20 5 FHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccccc1N1CCOCC1 ZINC000468625886 942039176 /nfs/dbraw/zinc/03/91/76/942039176.db2.gz WTDPDKGNJRCEBU-GHRIWEEISA-N 1 0 367.449 3.625 20 5 FHBDRO O=[N+]([O-])c1ccc(NC2CC([NH+]3CCCCC3)C2)nc1-c1ccccc1 ZINC000480838610 942065600 /nfs/dbraw/zinc/06/56/00/942065600.db2.gz NRRKVORHXFCUEW-UHFFFAOYSA-N 1 0 352.438 3.508 20 5 FHBDRO C[NH2+]Cc1ccccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000415915424 942141603 /nfs/dbraw/zinc/14/16/03/942141603.db2.gz YYSSIKSPQUHJEG-UHFFFAOYSA-N 1 0 356.426 3.757 20 5 FHBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)Cc1ccsc1 ZINC000501971021 942145392 /nfs/dbraw/zinc/14/53/92/942145392.db2.gz BJAGKTILQDHLKR-CQSZACIVSA-N 1 0 361.467 3.938 20 5 FHBDRO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000415940024 942171456 /nfs/dbraw/zinc/17/14/56/942171456.db2.gz CSKRYMMGALBIQF-AWEZNQCLSA-N 1 0 356.426 3.895 20 5 FHBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000183148050 942183536 /nfs/dbraw/zinc/18/35/36/942183536.db2.gz YRCZLSWRXUVIQB-UHFFFAOYSA-N 1 0 354.332 3.647 20 5 FHBDRO CC[NH2+]Cc1ccccc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000415953220 942191997 /nfs/dbraw/zinc/19/19/97/942191997.db2.gz KQXJTXNUMVXKPZ-UHFFFAOYSA-N 1 0 368.437 3.901 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103092810 942206264 /nfs/dbraw/zinc/20/62/64/942206264.db2.gz LJHANYGTIARGSV-QGZVFWFLSA-N 1 0 359.470 3.631 20 5 FHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103174682 942230742 /nfs/dbraw/zinc/23/07/42/942230742.db2.gz DKNCLQBASZCJBR-INIZCTEOSA-N 1 0 360.458 3.715 20 5 FHBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCSC3CCCCC3)C2)nc1 ZINC000500984324 942245692 /nfs/dbraw/zinc/24/56/92/942245692.db2.gz LZOXDSVDZQTRKG-AWEZNQCLSA-N 1 0 350.488 3.542 20 5 FHBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000137028495 942246708 /nfs/dbraw/zinc/24/67/08/942246708.db2.gz NOMOTRFPWPOBSN-CYBMUJFWSA-N 1 0 367.877 3.879 20 5 FHBDRO C[NH+](C)CCn1cc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 ZINC000237008103 942248435 /nfs/dbraw/zinc/24/84/35/942248435.db2.gz GVJSOYDMUPDTNY-UHFFFAOYSA-N 1 0 371.466 3.694 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3cccs3)CC2)c2cccnc21 ZINC000413070784 942251294 /nfs/dbraw/zinc/25/12/94/942251294.db2.gz KRJFRHDXXQKVPI-UHFFFAOYSA-N 1 0 368.462 3.569 20 5 FHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413075094 942259876 /nfs/dbraw/zinc/25/98/76/942259876.db2.gz KEQCRHXGWCFCEW-IIDMSEBBSA-N 1 0 354.454 3.985 20 5 FHBDRO CC[C@@H]1Cc2ccccc2C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501054377 942280092 /nfs/dbraw/zinc/28/00/92/942280092.db2.gz NCSQJXCWYIQAHL-QGZVFWFLSA-N 1 0 353.422 3.760 20 5 FHBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(F)c1 ZINC000413098102 942285879 /nfs/dbraw/zinc/28/58/79/942285879.db2.gz DSCVPBZETSKMNB-LBPRGKRZSA-N 1 0 350.419 3.515 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)o1 ZINC000092967616 942287088 /nfs/dbraw/zinc/28/70/88/942287088.db2.gz HZHQVPURGKJKPT-OAHLLOKOSA-N 1 0 352.394 3.888 20 5 FHBDRO CC(C)[NH2+]C1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000501125609 942313073 /nfs/dbraw/zinc/31/30/73/942313073.db2.gz QJNAJSDWXLCAAE-UHFFFAOYSA-N 1 0 362.474 3.887 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000085637640 942315380 /nfs/dbraw/zinc/31/53/80/942315380.db2.gz YQZVPIHJDSRWQE-HNNXBMFYSA-N 1 0 370.453 3.854 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000181580651 942341700 /nfs/dbraw/zinc/34/17/00/942341700.db2.gz MWAATUCCEFRTMI-GFCCVEGCSA-N 1 0 363.364 3.861 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000110247955 942347583 /nfs/dbraw/zinc/34/75/83/942347583.db2.gz QJGWDVIJPIIMFA-IBGZPJMESA-N 1 0 369.465 3.748 20 5 FHBDRO Cc1cccc(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000103971790 942357498 /nfs/dbraw/zinc/35/74/98/942357498.db2.gz GQXLHRDONAOLEY-OAHLLOKOSA-N 1 0 355.438 3.762 20 5 FHBDRO Cc1sc(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000103971730 942358072 /nfs/dbraw/zinc/35/80/72/942358072.db2.gz UQCKLGNBTIDCSQ-GFCCVEGCSA-N 1 0 361.467 3.824 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000502311263 942359318 /nfs/dbraw/zinc/35/93/18/942359318.db2.gz SWBSJTMFHJQLLT-KRWDZBQOSA-N 1 0 354.454 3.816 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000183242961 942379910 /nfs/dbraw/zinc/37/99/10/942379910.db2.gz FCHPWKKDROVKPV-UHFFFAOYSA-N 1 0 359.470 3.518 20 5 FHBDRO O=C(NCCC[NH2+]C1CCCCC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000419893426 942440094 /nfs/dbraw/zinc/44/00/94/942440094.db2.gz MBLQDRAAPKQVRM-UHFFFAOYSA-N 1 0 373.375 3.656 20 5 FHBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000413199110 942458359 /nfs/dbraw/zinc/45/83/59/942458359.db2.gz IRTKPKAKPFSSCB-HNAYVOBHSA-N 1 0 352.438 3.596 20 5 FHBDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000421362926 942515813 /nfs/dbraw/zinc/51/58/13/942515813.db2.gz OJDUGCIMDHAVNZ-QWHCGFSZSA-N 1 0 364.829 3.959 20 5 FHBDRO COC1([C@@H](C)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOCC1 ZINC000421407726 942557449 /nfs/dbraw/zinc/55/74/49/942557449.db2.gz WGRCQERZDMNPQI-CQSZACIVSA-N 1 0 360.410 3.529 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(c2ccccc2)CCC1 ZINC000104665184 942566597 /nfs/dbraw/zinc/56/65/97/942566597.db2.gz ZSVSIFFUWKRVKB-UHFFFAOYSA-N 1 0 369.421 3.601 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H]([NH+]4CCCCC4)C3)o2)cc1 ZINC000513718214 942574130 /nfs/dbraw/zinc/57/41/30/942574130.db2.gz WSPODJUTUFVHAH-GOSISDBHSA-N 1 0 355.438 3.915 20 5 FHBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCc1ccccc1 ZINC000104674965 942579801 /nfs/dbraw/zinc/57/98/01/942579801.db2.gz JKVKWDDXZLGCHH-UHFFFAOYSA-N 1 0 351.406 3.967 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1CN(C)CCOc1ccccc1Cl ZINC000016422092 942598102 /nfs/dbraw/zinc/59/81/02/942598102.db2.gz PVOGIFRKKQLKRF-UHFFFAOYSA-N 1 0 350.802 3.768 20 5 FHBDRO C[C@H](C(=O)N1CCC(CCCn2ccnc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000584564044 942603523 /nfs/dbraw/zinc/60/35/23/942603523.db2.gz MNOWAXHYKMEUAV-INIZCTEOSA-N 1 0 370.453 3.614 20 5 FHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000541347801 942623388 /nfs/dbraw/zinc/62/33/88/942623388.db2.gz PSDNCCDOTXEKBO-RTBURBONSA-N 1 0 370.449 3.604 20 5 FHBDRO Cc1c(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)cccc1[N+](=O)[O-] ZINC000425075126 942627510 /nfs/dbraw/zinc/62/75/10/942627510.db2.gz DCDNVMPPFGDFBS-UHFFFAOYSA-N 1 0 374.466 3.769 20 5 FHBDRO COc1cc(C[NH2+]C[C@H]2CC=CCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237238279 942660569 /nfs/dbraw/zinc/66/05/69/942660569.db2.gz NNYCYDILRQIRSS-LBPRGKRZSA-N 1 0 374.359 3.990 20 5 FHBDRO Cc1cccc([C@@H]2CC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000541391236 942684321 /nfs/dbraw/zinc/68/43/21/942684321.db2.gz XGNMQQAWONUPRN-QGZVFWFLSA-N 1 0 364.405 3.943 20 5 FHBDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000183629692 942752189 /nfs/dbraw/zinc/75/21/89/942752189.db2.gz NENFSCQMLWULBA-CQSZACIVSA-N 1 0 367.405 3.963 20 5 FHBDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000183630294 942754593 /nfs/dbraw/zinc/75/45/93/942754593.db2.gz LJBNCJJUZIBLDR-HUUCEWRRSA-N 1 0 370.405 3.740 20 5 FHBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1ccco1 ZINC000421746232 942793866 /nfs/dbraw/zinc/79/38/66/942793866.db2.gz BDGBHULVLQQQIM-QGZVFWFLSA-N 1 0 359.426 3.618 20 5 FHBDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000514185781 942794429 /nfs/dbraw/zinc/79/44/29/942794429.db2.gz KWMGAWIKSHGTSD-GOSISDBHSA-N 1 0 367.449 3.857 20 5 FHBDRO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)[NH+]2CCCC2)o1 ZINC000421759740 942802222 /nfs/dbraw/zinc/80/22/22/942802222.db2.gz VLRMOVUYOQOXOA-GOSISDBHSA-N 1 0 371.437 3.680 20 5 FHBDRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000514201982 942811520 /nfs/dbraw/zinc/81/15/20/942811520.db2.gz PMEQKZFJPKZSCW-UHFFFAOYSA-N 1 0 371.437 3.767 20 5 FHBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000190206175 942858212 /nfs/dbraw/zinc/85/82/12/942858212.db2.gz UMGOVCAZAHMVCZ-AWEZNQCLSA-N 1 0 373.375 3.834 20 5 FHBDRO O=C(Nc1cccc2c1C[N@@H+](C1CC1)C2)c1ccc([N+](=O)[O-])cc1Cl ZINC000378526292 942863006 /nfs/dbraw/zinc/86/30/06/942863006.db2.gz MAFTWLOSINXNBM-UHFFFAOYSA-N 1 0 357.797 3.979 20 5 FHBDRO C[N@@H+]1CC[C@]2(CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)C1 ZINC000430114276 942926587 /nfs/dbraw/zinc/92/65/87/942926587.db2.gz CASZZYYLDLPXPG-IBGZPJMESA-N 1 0 357.479 3.851 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCCCN2C2CC2)o1 ZINC000434789680 942968681 /nfs/dbraw/zinc/96/86/81/942968681.db2.gz ZJYYXTYCXNYZJO-MRXNPFEDSA-N 1 0 355.438 3.961 20 5 FHBDRO C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCC[NH2+]C1 ZINC000414858881 943046801 /nfs/dbraw/zinc/04/68/01/943046801.db2.gz STMNGVRROZDEOL-QWHCGFSZSA-N 1 0 363.845 3.986 20 5 FHBDRO Cc1ccc(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000514511002 943073423 /nfs/dbraw/zinc/07/34/23/943073423.db2.gz OPTSWKLNAKRVMR-UHFFFAOYSA-N 1 0 356.426 3.547 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@H](OC)C(F)(F)F)cc1[N+](=O)[O-] ZINC000469264285 943115686 /nfs/dbraw/zinc/11/56/86/943115686.db2.gz TWCONTMIAOCHFS-HZMBPMFUSA-N 1 0 350.337 3.612 20 5 FHBDRO C[NH+](C)C1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCCCCC1 ZINC000514580341 943118971 /nfs/dbraw/zinc/11/89/71/943118971.db2.gz DKNYPCSUPOMJEY-UHFFFAOYSA-N 1 0 359.426 3.725 20 5 FHBDRO Cc1ccc(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)cc1[N+](=O)[O-] ZINC000435059021 943130992 /nfs/dbraw/zinc/13/09/92/943130992.db2.gz HBZHMLPTOFLPNR-UHFFFAOYSA-N 1 0 354.454 3.816 20 5 FHBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000016783906 943136879 /nfs/dbraw/zinc/13/68/79/943136879.db2.gz FBIYVLWUYIMDQO-SDNWHVSQSA-N 1 0 367.449 3.766 20 5 FHBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000016780389 943138801 /nfs/dbraw/zinc/13/88/01/943138801.db2.gz LRCXXJCFJUPKDT-UHFFFAOYSA-N 1 0 355.438 3.675 20 5 FHBDRO C[C@@H]1C[C@@]1([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000503380229 943156640 /nfs/dbraw/zinc/15/66/40/943156640.db2.gz VUJKMJLYFHCPLX-XIKOKIGWSA-N 1 0 359.813 3.712 20 5 FHBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000503412515 943171353 /nfs/dbraw/zinc/17/13/53/943171353.db2.gz OACXWWUMCGCQOD-UHFFFAOYSA-N 1 0 367.449 3.501 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000503419924 943175509 /nfs/dbraw/zinc/17/55/09/943175509.db2.gz PVZNOVOZRUAMSL-KBPBESRZSA-N 1 0 365.499 3.700 20 5 FHBDRO CCN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435374112 943356648 /nfs/dbraw/zinc/35/66/48/943356648.db2.gz WIKPSJIYGZUSLC-INIZCTEOSA-N 1 0 360.483 3.682 20 5 FHBDRO COc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(OC(F)F)c1 ZINC000514891841 943365489 /nfs/dbraw/zinc/36/54/89/943365489.db2.gz XIMBRDZSZAACGO-UHFFFAOYSA-N 1 0 366.364 3.879 20 5 FHBDRO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000435379939 943369309 /nfs/dbraw/zinc/36/93/09/943369309.db2.gz LNKJOWXEWQBFEJ-UKRRQHHQSA-N 1 0 359.401 3.695 20 5 FHBDRO C[NH2+]C[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000435389970 943377519 /nfs/dbraw/zinc/37/75/19/943377519.db2.gz NQSFRDLLAGWZAQ-CYBMUJFWSA-N 1 0 363.845 3.940 20 5 FHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000514910373 943381595 /nfs/dbraw/zinc/38/15/95/943381595.db2.gz SHMSUYZMGSEKLC-MUDDQBKWSA-N 1 0 358.360 3.633 20 5 FHBDRO [NH3+][C@@H]1C[C@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccccc21 ZINC000423086543 943389086 /nfs/dbraw/zinc/38/90/86/943389086.db2.gz MAQZFNVYTRQYSO-CVEARBPZSA-N 1 0 351.328 3.848 20 5 FHBDRO C[C@H]([NH2+][C@H](Cn1ccccc1=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000503937166 943426027 /nfs/dbraw/zinc/42/60/27/943426027.db2.gz LGMWJJCNVLFVRP-OXJNMPFZSA-N 1 0 363.417 3.849 20 5 FHBDRO C[C@@H]([NH2+][C@@H](Cn1ccccc1=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000503947465 943430803 /nfs/dbraw/zinc/43/08/03/943430803.db2.gz LUIDOJWFUXOCFM-UZLBHIALSA-N 1 0 363.417 3.849 20 5 FHBDRO CC(C)[C@H](C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H](C)[NH3+] ZINC000423217157 943446454 /nfs/dbraw/zinc/44/64/54/943446454.db2.gz TUPICGJVPAMDLD-ACJLOTCBSA-N 1 0 357.410 3.945 20 5 FHBDRO C[C@H](N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000423368035 943493625 /nfs/dbraw/zinc/49/36/25/943493625.db2.gz MVPAUJMPRBZEQT-XGINMYPSSA-N 1 0 361.392 3.669 20 5 FHBDRO Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000417349360 943528562 /nfs/dbraw/zinc/52/85/62/943528562.db2.gz DYIPRSCVCOEXDR-LZQZEXGQSA-N 1 0 370.453 3.606 20 5 FHBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000423740839 943613846 /nfs/dbraw/zinc/61/38/46/943613846.db2.gz JGYOJFXKRBTONJ-ZIAGYGMSSA-N 1 0 371.462 3.603 20 5 FHBDRO CSc1ccc(C(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423961788 943649949 /nfs/dbraw/zinc/64/99/49/943649949.db2.gz DYNYDICBHKMXKG-OAHLLOKOSA-N 1 0 359.451 3.527 20 5 FHBDRO COc1cc(C[NH2+][C@H]2C[C@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1OC ZINC000435784771 943769609 /nfs/dbraw/zinc/76/96/09/943769609.db2.gz IKQOIPQBHFCGNI-MQMHXKEQSA-N 1 0 360.385 3.787 20 5 FHBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000516947225 943853320 /nfs/dbraw/zinc/85/33/20/943853320.db2.gz KBLSBCYDYWZASV-HOTGVXAUSA-N 1 0 369.465 3.944 20 5 FHBDRO C[C@@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000516947224 943853639 /nfs/dbraw/zinc/85/36/39/943853639.db2.gz KBLSBCYDYWZASV-CVEARBPZSA-N 1 0 369.465 3.944 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn2ccccc2n1 ZINC000504900314 943877212 /nfs/dbraw/zinc/87/72/12/943877212.db2.gz VNJPEFPHSWMHOX-OAHLLOKOSA-N 1 0 370.478 3.946 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000504893607 943891153 /nfs/dbraw/zinc/89/11/53/943891153.db2.gz GYMKNYLEDGXIBD-DKSSEZFCSA-N 1 0 358.463 3.713 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CCO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000504917922 943898073 /nfs/dbraw/zinc/89/80/73/943898073.db2.gz DFNIBRYHZVMZKT-WMLDXEAASA-N 1 0 350.459 3.975 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000504905244 943903222 /nfs/dbraw/zinc/90/32/22/943903222.db2.gz FTVZSUAEXPJTGY-OWCLPIDISA-N 1 0 351.516 3.928 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1c(C)nn(C)c1C ZINC000504905944 943903825 /nfs/dbraw/zinc/90/38/25/943903825.db2.gz QETWJFTZJFOGBB-OAHLLOKOSA-N 1 0 362.499 3.648 20 5 FHBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2ccc(Cl)cc2Cl)c1 ZINC000749647612 943908179 /nfs/dbraw/zinc/90/81/79/943908179.db2.gz OSRSXGZTXAIJDL-MRXNPFEDSA-N 1 0 355.221 3.767 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](COC)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000504926992 943924768 /nfs/dbraw/zinc/92/47/68/943924768.db2.gz MAGXYZXSOKATFB-MAUKXSAKSA-N 1 0 358.438 3.902 20 5 FHBDRO CCCCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001167960083 943935733 /nfs/dbraw/zinc/93/57/33/943935733.db2.gz RXWDNEDQBXIXKS-RCCFBDPRSA-N 1 0 350.459 3.544 20 5 FHBDRO CCCCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001167960080 943935853 /nfs/dbraw/zinc/93/58/53/943935853.db2.gz RXWDNEDQBXIXKS-FGTMMUONSA-N 1 0 350.459 3.544 20 5 FHBDRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000436050809 943974009 /nfs/dbraw/zinc/97/40/09/943974009.db2.gz KKCZCXZAVKICON-HUUCEWRRSA-N 1 0 360.483 3.532 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000511645711 944001582 /nfs/dbraw/zinc/00/15/82/944001582.db2.gz GXTWPSXOPTZQFT-HSALFYBXSA-N 1 0 368.433 3.608 20 5 FHBDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500093945 944084769 /nfs/dbraw/zinc/08/47/69/944084769.db2.gz SWXAIUKYWYEQFH-DOTOQJQBSA-N 1 0 353.422 3.801 20 5 FHBDRO C[S@@](=O)C1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000436287284 944165573 /nfs/dbraw/zinc/16/55/73/944165573.db2.gz UHGRXIAXBLRHKN-AVRWGWEMSA-N 1 0 358.463 3.575 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000505788893 944183119 /nfs/dbraw/zinc/18/31/19/944183119.db2.gz YJWWMMSTDBYUIT-CQSZACIVSA-N 1 0 365.499 3.701 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1NCC1CC[NH+](Cc3ccccc3)CC1)CCN2 ZINC000436304895 944189238 /nfs/dbraw/zinc/18/92/38/944189238.db2.gz FGJGKNXEYJBHGX-UHFFFAOYSA-N 1 0 366.465 3.887 20 5 FHBDRO C[C@]1(c2ccccc2)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000500172362 944211186 /nfs/dbraw/zinc/21/11/86/944211186.db2.gz MRVYCPQHKYZAPE-NRFANRHFSA-N 1 0 367.449 3.977 20 5 FHBDRO C[NH+](C)CCc1ccc(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])cc1 ZINC000436333775 944211780 /nfs/dbraw/zinc/21/17/80/944211780.db2.gz KCCJOVORRHARTC-UHFFFAOYSA-N 1 0 368.359 3.725 20 5 FHBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000517358804 944229079 /nfs/dbraw/zinc/22/90/79/944229079.db2.gz YXBCZCDCDLQIKG-UONOGXRCSA-N 1 0 371.462 3.555 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000505804809 944252318 /nfs/dbraw/zinc/25/23/18/944252318.db2.gz GQLBTLTYHNCOCY-AWEZNQCLSA-N 1 0 365.499 3.701 20 5 FHBDRO CSc1ccc([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000500235822 944316157 /nfs/dbraw/zinc/31/61/57/944316157.db2.gz DNRSQUAQDLLQKJ-ZDUSSCGKSA-N 1 0 359.451 3.914 20 5 FHBDRO COc1ccc(C[C@@](C)([NH3+])CNc2ccc3ncccc3c2[N+](=O)[O-])cc1 ZINC000500279548 944397173 /nfs/dbraw/zinc/39/71/73/944397173.db2.gz LCKSLJYYXMNADI-HXUWFJFHSA-N 1 0 366.421 3.524 20 5 FHBDRO O=[N+]([O-])c1ccc(NCC[N@@H+]2CCc3sccc3C2)c2ncccc12 ZINC000053580054 944400495 /nfs/dbraw/zinc/40/04/95/944400495.db2.gz AKKYGLDMOMFDRL-UHFFFAOYSA-N 1 0 354.435 3.675 20 5 FHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)c1 ZINC000505844005 944411579 /nfs/dbraw/zinc/41/15/79/944411579.db2.gz CRPOKQMRXVUZMK-YZMSFBEDSA-N 1 0 368.433 3.512 20 5 FHBDRO Cn1ncc2ccc(C[NH2+][C@@H]3CCC[C@@H]3Cc3ccccc3[N+](=O)[O-])cc21 ZINC000517640183 944460915 /nfs/dbraw/zinc/46/09/15/944460915.db2.gz RGHWRPBEZSFZMC-VQIMIIECSA-N 1 0 364.449 3.983 20 5 FHBDRO COc1cc(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1O ZINC000438367856 944538679 /nfs/dbraw/zinc/53/86/79/944538679.db2.gz XWSMXYDHOWTQGT-WBVHZDCISA-N 1 0 356.422 3.810 20 5 FHBDRO C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000439330333 944542954 /nfs/dbraw/zinc/54/29/54/944542954.db2.gz ZHLDDXRXZOTXOQ-BHIYHBOVSA-N 1 0 370.449 3.603 20 5 FHBDRO C[C@@H](C[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000066853573 944632751 /nfs/dbraw/zinc/63/27/51/944632751.db2.gz ZIEGTODKQIPSEJ-AWEZNQCLSA-N 1 0 352.394 3.880 20 5 FHBDRO CC[NH+](CC)[C@@H](CNc1ncc(C)cc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000463055100 944754680 /nfs/dbraw/zinc/75/46/80/944754680.db2.gz QKIDHGYIYUNZSS-SFHVURJKSA-N 1 0 358.442 3.802 20 5 FHBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)[NH+]1CCCC1 ZINC000516389964 944807937 /nfs/dbraw/zinc/80/79/37/944807937.db2.gz WDSAOAJEOGRJKR-OAHLLOKOSA-N 1 0 369.421 3.601 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000566814358 944902813 /nfs/dbraw/zinc/90/28/13/944902813.db2.gz IUHJFGMGCJREIC-CVEARBPZSA-N 1 0 358.438 3.590 20 5 FHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000511741476 944979342 /nfs/dbraw/zinc/97/93/42/944979342.db2.gz JCAXBPDBVNUQHR-MRXNPFEDSA-N 1 0 373.478 3.687 20 5 FHBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(-n2cncn2)cc1 ZINC000507168085 945000439 /nfs/dbraw/zinc/00/04/39/945000439.db2.gz BJFFHDXCDSNUBY-UHFFFAOYSA-N 1 0 351.410 3.586 20 5 FHBDRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000437088316 945007265 /nfs/dbraw/zinc/00/72/65/945007265.db2.gz CFLWKTFTQRWQDG-FZMZJTMJSA-N 1 0 361.364 3.879 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000506361078 945021421 /nfs/dbraw/zinc/02/14/21/945021421.db2.gz BZYFLGNUVZWSRU-OAHLLOKOSA-N 1 0 365.499 3.701 20 5 FHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1Cc2ccccc2N(C)C1 ZINC000437107071 945028735 /nfs/dbraw/zinc/02/87/35/945028735.db2.gz JWSGFQYIGIEQKG-DLBZAZTESA-N 1 0 353.466 3.814 20 5 FHBDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000519026232 945040149 /nfs/dbraw/zinc/04/01/49/945040149.db2.gz HSUPFQFLBDPUHZ-LJQANCHMSA-N 1 0 371.437 3.649 20 5 FHBDRO Cc1ccccc1[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000507208472 945041104 /nfs/dbraw/zinc/04/11/04/945041104.db2.gz QLQFBAAYCZAFDG-MRXNPFEDSA-N 1 0 353.422 3.640 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000439878317 945055948 /nfs/dbraw/zinc/05/59/48/945055948.db2.gz ZZCOLWMQFTUHNP-UHFFFAOYSA-N 1 0 366.462 3.624 20 5 FHBDRO CCCN1Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3OC)c2C1 ZINC000427473148 945403856 /nfs/dbraw/zinc/40/38/56/945403856.db2.gz JNZRMBCHRXPQJO-UHFFFAOYSA-N 1 0 355.394 3.581 20 5 FHBDRO CC[C@H](C)[N@@H+](Cc1ccccc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000507665157 945416102 /nfs/dbraw/zinc/41/61/02/945416102.db2.gz REHMUCVSCFSVQW-QFBILLFUSA-N 1 0 358.438 3.635 20 5 FHBDRO CCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@H]1CCCCO1 ZINC000106866595 945417848 /nfs/dbraw/zinc/41/78/48/945417848.db2.gz FUOSQGUOTHBHQV-MRXNPFEDSA-N 1 0 363.458 3.513 20 5 FHBDRO CC[C@@H](C)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000507680291 945444960 /nfs/dbraw/zinc/44/49/60/945444960.db2.gz YULCVSQURXKUPR-MRXNPFEDSA-N 1 0 355.438 3.858 20 5 FHBDRO CC(C)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[NH+]1CCCCCC1 ZINC000506840020 945497675 /nfs/dbraw/zinc/49/76/75/945497675.db2.gz UFMYCLJFUJBETE-LJQANCHMSA-N 1 0 374.485 3.792 20 5 FHBDRO C[NH+](C)Cc1cccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000184118827 945619948 /nfs/dbraw/zinc/61/99/48/945619948.db2.gz NKJBAIGOGSPPLH-UHFFFAOYSA-N 1 0 362.817 3.632 20 5 FHBDRO Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000549526914 945663868 /nfs/dbraw/zinc/66/38/68/945663868.db2.gz DSCCXEFGTWIWGU-MRXNPFEDSA-N 1 0 355.442 3.503 20 5 FHBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729479707 945731370 /nfs/dbraw/zinc/73/13/70/945731370.db2.gz CHGFDRSHEYQHNN-KRWDZBQOSA-N 1 0 363.458 3.816 20 5 FHBDRO CCC1([NH+]2CCCCC2)CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000893430050 945807777 /nfs/dbraw/zinc/80/77/77/945807777.db2.gz ZYOHCPVCHYETAG-UHFFFAOYSA-N 1 0 363.433 3.605 20 5 FHBDRO C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000549535364 945823570 /nfs/dbraw/zinc/82/35/70/945823570.db2.gz FDXZJUBZFPCPHZ-KSMMKXTCSA-N 1 0 371.412 3.747 20 5 FHBDRO CCC[N@H+](CCc1cccc(F)c1)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000444130490 945943446 /nfs/dbraw/zinc/94/34/46/945943446.db2.gz LLLHMMUEQCRZBN-UHFFFAOYSA-N 1 0 373.428 3.936 20 5 FHBDRO Cc1cc(NC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000613778071 945943464 /nfs/dbraw/zinc/94/34/64/945943464.db2.gz RRBBCYIHVDFDIT-SFHVURJKSA-N 1 0 368.437 3.641 20 5 FHBDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000109305843 946227347 /nfs/dbraw/zinc/22/73/47/946227347.db2.gz SEZZOJHRDGPDMG-SFHVURJKSA-N 1 0 367.449 3.545 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2nn(C)c3ccccc23)cc1[N+](=O)[O-] ZINC000186482065 946379822 /nfs/dbraw/zinc/37/98/22/946379822.db2.gz YHDSSPROJBOPSP-CQSZACIVSA-N 1 0 368.437 3.774 20 5 FHBDRO O=C(CCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])N1CCc2ccccc21 ZINC000111409360 946459307 /nfs/dbraw/zinc/45/93/07/946459307.db2.gz DIGYCTURHXDKDD-WEVVVXLNSA-N 1 0 365.433 3.567 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC2CC([NH+]3CCCCC3)C2)o1 ZINC000475560663 946653354 /nfs/dbraw/zinc/65/33/54/946653354.db2.gz OJAJNQZWRHMJEY-UHFFFAOYSA-N 1 0 355.438 3.961 20 5 FHBDRO CCS[C@@H]1CCCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000112090124 946657940 /nfs/dbraw/zinc/65/79/40/946657940.db2.gz ZJJCMLRPTQVCPL-MRXNPFEDSA-N 1 0 352.456 3.569 20 5 FHBDRO COc1cc(C[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1O ZINC000475561022 946666219 /nfs/dbraw/zinc/66/62/19/946666219.db2.gz XEQYYGKUTBRLCG-BBRMVZONSA-N 1 0 360.385 3.874 20 5 FHBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000475569918 946689866 /nfs/dbraw/zinc/68/98/66/946689866.db2.gz YHAVCDRZNMAZBQ-NWDGAFQWSA-N 1 0 358.385 3.773 20 5 FHBDRO Cn1c2ccccc2nc1C(C)(C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000473152491 946720712 /nfs/dbraw/zinc/72/07/12/946720712.db2.gz PAMFLGKUXTZHLL-UHFFFAOYSA-N 1 0 368.437 3.775 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475585474 946758556 /nfs/dbraw/zinc/75/85/56/946758556.db2.gz VOPWHOFMDQLMDF-KRWDZBQOSA-N 1 0 368.437 3.608 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000475294003 946813464 /nfs/dbraw/zinc/81/34/64/946813464.db2.gz MFKGTKZAELOQHG-UHFFFAOYSA-N 1 0 369.465 4.000 20 5 FHBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000909602770 946816778 /nfs/dbraw/zinc/81/67/78/946816778.db2.gz ZXQDMDPIDHXGQA-ZWKOTPCHSA-N 1 0 353.422 3.707 20 5 FHBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc2ccccc2s1 ZINC000112532162 946908602 /nfs/dbraw/zinc/90/86/02/946908602.db2.gz YUPCCXNPUYTUHI-RYUDHWBXSA-N 1 0 370.434 3.882 20 5 FHBDRO CC[C@H](C)[C@H](C)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000112600077 946917910 /nfs/dbraw/zinc/91/79/10/946917910.db2.gz MZIKSXRJCUJWAU-KBPBESRZSA-N 1 0 363.458 3.831 20 5 FHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2ncccc2c1 ZINC000475355277 946936451 /nfs/dbraw/zinc/93/64/51/946936451.db2.gz ZLVINMWQZOAWRZ-CQSZACIVSA-N 1 0 364.405 3.650 20 5 FHBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000054260419 947029042 /nfs/dbraw/zinc/02/90/42/947029042.db2.gz HACZNQDBVXMMGN-STQMWFEESA-N 1 0 367.877 3.735 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1Cc2ccccc2OC[C@@H]1C ZINC000543876111 947062906 /nfs/dbraw/zinc/06/29/06/947062906.db2.gz ZGTDQFLEIALJKH-HNNXBMFYSA-N 1 0 369.421 3.515 20 5 FHBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1(c2ccccc2)CC1 ZINC000444686661 947087667 /nfs/dbraw/zinc/08/76/67/947087667.db2.gz XQSLBYHRXQMLLY-UHFFFAOYSA-N 1 0 353.422 3.587 20 5 FHBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000248676284 947100482 /nfs/dbraw/zinc/10/04/82/947100482.db2.gz YXVZQBJEPQYMQJ-XJKSGUPXSA-N 1 0 363.487 3.676 20 5 FHBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000125658991 947216569 /nfs/dbraw/zinc/21/65/69/947216569.db2.gz TUKCDXIDLSYWIN-BZNIZROVSA-N 1 0 370.327 3.878 20 5 FHBDRO Cc1c(C[N@@H+](C[C@H](O)COc2ccccc2)C(C)C)cccc1[N+](=O)[O-] ZINC000444820921 947255801 /nfs/dbraw/zinc/25/58/01/947255801.db2.gz XFXUKHLBKDLJEN-SFHVURJKSA-N 1 0 358.438 3.554 20 5 FHBDRO CCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCC)CC1 ZINC000121517227 947381426 /nfs/dbraw/zinc/38/14/26/947381426.db2.gz VEADHUBTVFCLCA-UHFFFAOYSA-N 1 0 365.499 3.701 20 5 FHBDRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000523701379 947526590 /nfs/dbraw/zinc/52/65/90/947526590.db2.gz NWTWZYMYVRPRID-LJQANCHMSA-N 1 0 356.422 3.992 20 5 FHBDRO CC(C)[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCC1 ZINC000440664892 947567934 /nfs/dbraw/zinc/56/79/34/947567934.db2.gz ZJZSZYCYGQFPEY-UHFFFAOYSA-N 1 0 374.466 3.920 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000120346945 947595546 /nfs/dbraw/zinc/59/55/46/947595546.db2.gz BDANQIIBWDHXHR-HNNXBMFYSA-N 1 0 360.458 3.692 20 5 FHBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@@H]2Cc3cccc(O)c3C2)c1 ZINC000549610120 947993256 /nfs/dbraw/zinc/99/32/56/947993256.db2.gz HFUJRCPWBRMLRV-GFCCVEGCSA-N 1 0 352.312 3.576 20 5 FHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000236796532 948024186 /nfs/dbraw/zinc/02/41/86/948024186.db2.gz VSYHPBRJMJHEFA-LJQANCHMSA-N 1 0 355.438 3.812 20 5 FHBDRO CCc1nn(C)c(NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000094160515 948030424 /nfs/dbraw/zinc/03/04/24/948030424.db2.gz CKTKQGAOXNURBC-CQSZACIVSA-N 1 0 357.458 3.528 20 5 FHBDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000236797243 948041425 /nfs/dbraw/zinc/04/14/25/948041425.db2.gz DUZGXFJMAZQSHF-WBVHZDCISA-N 1 0 363.458 3.768 20 5 FHBDRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000585764806 948275950 /nfs/dbraw/zinc/27/59/50/948275950.db2.gz KYYFJCADYWIDCJ-UPRAQXHNSA-N 1 0 356.422 3.894 20 5 FHBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000574693299 948331334 /nfs/dbraw/zinc/33/13/34/948331334.db2.gz LSZNLRZEWGVJOC-OLZOCXBDSA-N 1 0 359.451 3.602 20 5 FHBDRO CC[N@H+](Cc1c[nH]c2ccccc12)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000190454945 948334496 /nfs/dbraw/zinc/33/44/96/948334496.db2.gz HTBDJGSVDORHJF-CQSZACIVSA-N 1 0 366.421 3.925 20 5 FHBDRO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000512081860 948375606 /nfs/dbraw/zinc/37/56/06/948375606.db2.gz FIWMXPYLJIAYPF-GOSISDBHSA-N 1 0 371.437 3.688 20 5 FHBDRO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]Cc2c3ccccc3cc3ccccc32)O1 ZINC000182042267 948377894 /nfs/dbraw/zinc/37/78/94/948377894.db2.gz INOJJJIOOMXHGE-PGRDOPGGSA-N 1 0 362.473 3.718 20 5 FHBDRO CCCC[NH+]1CCC(NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000184776890 948427241 /nfs/dbraw/zinc/42/72/41/948427241.db2.gz IDYHTNOWZAXWKZ-QGZVFWFLSA-N 1 0 361.486 3.544 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)cc1 ZINC000520623208 948433641 /nfs/dbraw/zinc/43/36/41/948433641.db2.gz GPCMKPMZVQZEEJ-UHFFFAOYSA-N 1 0 361.392 3.628 20 5 FHBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000120403474 948493178 /nfs/dbraw/zinc/49/31/78/948493178.db2.gz KOVURFDMBLZMFX-GJZGRUSLSA-N 1 0 372.469 3.564 20 5 FHBDRO CCOC[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000072977034 948516191 /nfs/dbraw/zinc/51/61/91/948516191.db2.gz QZBIEHHMFDPPGV-HNNXBMFYSA-N 1 0 359.426 3.541 20 5 FHBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4csc(-c5cccc([N+](=O)[O-])c5)n4)[C@H]1[C@H]3C2 ZINC000574796814 948518406 /nfs/dbraw/zinc/51/84/06/948518406.db2.gz LVWLHNIMHIGAJJ-MZDBXJLNSA-N 1 0 371.462 3.574 20 5 FHBDRO CC(C)CC(=O)N1CCC([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279190499 948602560 /nfs/dbraw/zinc/60/25/60/948602560.db2.gz WKKMKHQPRUMVIV-IBGZPJMESA-N 1 0 373.497 3.944 20 5 FHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000536481627 948726560 /nfs/dbraw/zinc/72/65/60/948726560.db2.gz LMTJOKHROZDTSD-RBSFLKMASA-N 1 0 370.453 3.554 20 5 FHBDRO O=[N+]([O-])c1c(NC[C@@H](c2ccco2)[NH+]2CCCCC2)nc2sccn21 ZINC000008319219 210152689 /nfs/dbraw/zinc/15/26/89/210152689.db2.gz NBULOYMROLOWDD-LBPRGKRZSA-N 1 0 361.427 3.536 20 5 FHBDRO Cc1ncc(CN2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3C)[C@@H](C)C2)s1 ZINC000359971859 223140424 /nfs/dbraw/zinc/14/04/24/223140424.db2.gz DCZLWNWPSJPBMX-LIRRHRJNSA-N 1 0 374.510 3.668 20 5 FHBDRO Cc1ccccc1C[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000108101525 132242615 /nfs/dbraw/zinc/24/26/15/132242615.db2.gz KTPVTBLTMNFRCS-UHFFFAOYSA-N 1 0 362.433 3.774 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000481436976 567937400 /nfs/dbraw/zinc/93/74/00/567937400.db2.gz GAZIHPPJSJHTAX-KSSFIOAISA-N 1 0 356.426 3.716 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000481436974 567941986 /nfs/dbraw/zinc/94/19/86/567941986.db2.gz GAZIHPPJSJHTAX-KDOFPFPSSA-N 1 0 356.426 3.716 20 5 FHBDRO Cc1ccncc1[C@H](C)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602583251 567994012 /nfs/dbraw/zinc/99/40/12/567994012.db2.gz WAXRBAOPQCGQCH-VIFPVBQESA-N 1 0 356.245 3.973 20 5 FHBDRO CC(C)(C)N1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1=O ZINC000568510205 568051751 /nfs/dbraw/zinc/05/17/51/568051751.db2.gz RAKKWJKVDOTJKV-INIZCTEOSA-N 1 0 373.478 3.812 20 5 FHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)cc1 ZINC000568510379 568051756 /nfs/dbraw/zinc/05/17/56/568051756.db2.gz WDXYPODSNBRIIP-LJQANCHMSA-N 1 0 351.450 3.882 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC(F)(F)[C@@H](CO)C3)s2)cc1 ZINC000291189893 568073908 /nfs/dbraw/zinc/07/39/08/568073908.db2.gz GMRYQEVZVJROOQ-CYBMUJFWSA-N 1 0 368.405 3.773 20 5 FHBDRO COc1ccc([C@@H](CNc2nc(C)ccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000481684197 568088954 /nfs/dbraw/zinc/08/89/54/568088954.db2.gz KMWDXDOSQLPTGA-GOSISDBHSA-N 1 0 356.426 3.556 20 5 FHBDRO COc1ccc(OCC[N@@H+]2Cc3ccccc3C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000481735156 568099800 /nfs/dbraw/zinc/09/98/00/568099800.db2.gz XXMXVTJKGFFFDR-UHFFFAOYSA-N 1 0 354.406 3.530 20 5 FHBDRO CCOc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000236905593 568247967 /nfs/dbraw/zinc/24/79/67/568247967.db2.gz RZPBUVOHRVTIQV-QGZVFWFLSA-N 1 0 371.437 3.547 20 5 FHBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000569155864 568300121 /nfs/dbraw/zinc/30/01/21/568300121.db2.gz MITYEKJPTBALHD-RDTXWAMCSA-N 1 0 372.494 3.777 20 5 FHBDRO C[C@@H]1[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000291770466 568304544 /nfs/dbraw/zinc/30/45/44/568304544.db2.gz MOYCIVSTPBPCLJ-CZUORRHYSA-N 1 0 373.840 3.641 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000569635368 568411524 /nfs/dbraw/zinc/41/15/24/568411524.db2.gz ZXTKKOIPHFGFSW-MOPGFXCFSA-N 1 0 366.465 3.565 20 5 FHBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H](c3ccncc3)C2)c1 ZINC000570173717 568455205 /nfs/dbraw/zinc/45/52/05/568455205.db2.gz LTKWWVSSJJQCBU-ZDUSSCGKSA-N 1 0 351.328 3.998 20 5 FHBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CCN(CC(F)(F)F)CC1 ZINC000570502500 568488795 /nfs/dbraw/zinc/48/87/95/568488795.db2.gz DGSCEUWFUCNGSR-OLZOCXBDSA-N 1 0 359.392 3.908 20 5 FHBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609489670 568509497 /nfs/dbraw/zinc/50/94/97/568509497.db2.gz YHHGNWCTRLMGIJ-CYBMUJFWSA-N 1 0 367.877 3.879 20 5 FHBDRO COc1cc(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)ccc1[N+](=O)[O-] ZINC000570762607 568520545 /nfs/dbraw/zinc/52/05/45/568520545.db2.gz DXCQLAPKPCFNBB-FQEVSTJZSA-N 1 0 354.406 3.573 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)cc1[N+](=O)[O-] ZINC000826282984 609152445 /nfs/dbraw/zinc/15/24/45/609152445.db2.gz HORFSSYCHLWZJG-RYUDHWBXSA-N 1 0 370.388 3.634 20 5 FHBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CCCC[C@@H]2C2CC[NH2+]CC2)nc1Cl ZINC001164420716 718891995 /nfs/dbraw/zinc/89/19/95/718891995.db2.gz VOQISNZUHDHWEU-GFCCVEGCSA-N 1 0 374.819 3.547 20 5 FHBDRO CC(C)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC001164661234 719340129 /nfs/dbraw/zinc/34/01/29/719340129.db2.gz JYFJLHQGFSSNRZ-UHFFFAOYSA-N 1 0 358.417 3.574 20 5 FHBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001165048030 721978496 /nfs/dbraw/zinc/97/84/96/721978496.db2.gz COENTNQTSHJREU-KRWDZBQOSA-N 1 0 354.454 3.988 20 5 FHBDRO CC[NH+](CC)C1CCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001165053873 722001648 /nfs/dbraw/zinc/00/16/48/722001648.db2.gz QYJXCBCDTAVSJE-UHFFFAOYSA-N 1 0 363.849 3.502 20 5 FHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)c2c(c1)COCO2 ZINC000052034753 936343726 /nfs/dbraw/zinc/34/37/26/936343726.db2.gz KHPLAWAZHKPCDG-SFHVURJKSA-N 1 0 372.396 3.808 20 5 FHBDRO COc1ccc(OC(F)F)c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000583076957 937101708 /nfs/dbraw/zinc/10/17/08/937101708.db2.gz SJIDTQGWMSDLNI-UHFFFAOYSA-N 1 0 366.364 3.879 20 5 FHBDRO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)[NH+](C)C)cc1 ZINC000049407712 927042886 /nfs/dbraw/zinc/04/28/86/927042886.db2.gz HPTGAVAXKBQTRU-QGZVFWFLSA-N 1 0 361.829 3.589 20 5 FHBDRO Cc1cc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc(N2CCCC2)n1 ZINC000583114150 937134235 /nfs/dbraw/zinc/13/42/35/937134235.db2.gz XJHAUMFCFXYVIO-SOFGYWHQSA-N 1 0 352.438 3.701 20 5 FHBDRO C/C(=C\C(=O)OC[C@H]1CCC[N@@H+]1Cc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000784900959 927239810 /nfs/dbraw/zinc/23/98/10/927239810.db2.gz DSUFEFWXCQQNPD-NKAIQICCSA-N 1 0 370.405 3.799 20 5 FHBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000610178074 927289138 /nfs/dbraw/zinc/28/91/38/927289138.db2.gz NSAFHZMLFRLZLJ-PBHICJAKSA-N 1 0 361.486 3.695 20 5 FHBDRO CO[C@@H](C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000577619463 927338264 /nfs/dbraw/zinc/33/82/64/927338264.db2.gz VQSNHZOYYSBEHG-FQEVSTJZSA-N 1 0 356.422 3.826 20 5 FHBDRO C[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000573149563 937203991 /nfs/dbraw/zinc/20/39/91/937203991.db2.gz XFFYPHQRJLXVMS-QZTJIDSGSA-N 1 0 373.497 3.813 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000430202816 927985503 /nfs/dbraw/zinc/98/55/03/927985503.db2.gz NIRYCUGJZCVNCK-AWEZNQCLSA-N 1 0 352.394 3.640 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000430209501 928088165 /nfs/dbraw/zinc/08/81/65/928088165.db2.gz RHBFUFQBXLIBRM-LJQANCHMSA-N 1 0 358.438 3.623 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H](Cc4ccccc4)C3)o2)cc1 ZINC000124245131 937221359 /nfs/dbraw/zinc/22/13/59/937221359.db2.gz NTZCQKJTAJVATL-INIZCTEOSA-N 1 0 364.405 3.709 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000430218526 928236237 /nfs/dbraw/zinc/23/62/37/928236237.db2.gz MFWYBELWVZADBW-HXUWFJFHSA-N 1 0 372.421 3.862 20 5 FHBDRO Cc1ccc(Sc2ccc(C(=O)N3CCC[C@@H]([NH3+])C3)cc2[N+](=O)[O-])cc1 ZINC000157697784 928456261 /nfs/dbraw/zinc/45/62/61/928456261.db2.gz AVICPKCQYIVZNQ-OAHLLOKOSA-N 1 0 371.462 3.618 20 5 FHBDRO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cn2)n1 ZINC000162791061 937294956 /nfs/dbraw/zinc/29/49/56/937294956.db2.gz VJRXELIWSYWQEM-MRXNPFEDSA-N 1 0 365.437 3.952 20 5 FHBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000175771633 929036981 /nfs/dbraw/zinc/03/69/81/929036981.db2.gz QTLAXPOJMLOSJF-CHWSQXEVSA-N 1 0 367.877 3.735 20 5 FHBDRO CCC[N@H+](CC)CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278193986 937335368 /nfs/dbraw/zinc/33/53/68/937335368.db2.gz PDCADTMSXOWDQJ-UHFFFAOYSA-N 1 0 351.450 3.555 20 5 FHBDRO C[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000165333803 929509657 /nfs/dbraw/zinc/50/96/57/929509657.db2.gz KCLXVJUSCIGDQE-PKOBYXMFSA-N 1 0 353.466 3.810 20 5 FHBDRO CC[NH+](CC)CCCC1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611764649 937344573 /nfs/dbraw/zinc/34/45/73/937344573.db2.gz VNCDSBFYMCWWRO-UHFFFAOYSA-N 1 0 371.485 3.876 20 5 FHBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000610297348 929718879 /nfs/dbraw/zinc/71/88/79/929718879.db2.gz NDTQFIYUIXBVSR-MRXNPFEDSA-N 1 0 373.840 3.595 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000471458139 929736322 /nfs/dbraw/zinc/73/63/22/929736322.db2.gz CRJOPWLCMDQJEC-INIZCTEOSA-N 1 0 355.438 3.544 20 5 FHBDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000155524362 929893097 /nfs/dbraw/zinc/89/30/97/929893097.db2.gz FONDTESGISPJMY-HNNXBMFYSA-N 1 0 373.478 3.671 20 5 FHBDRO O=C1[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCN1c1ccccc1Cl ZINC000610341450 930035725 /nfs/dbraw/zinc/03/57/25/930035725.db2.gz QXJLVIFYDNWGJN-QGZVFWFLSA-N 1 0 373.840 3.576 20 5 FHBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000583388507 937393990 /nfs/dbraw/zinc/39/39/90/937393990.db2.gz KIYGGWLXRWAKSV-OAHLLOKOSA-N 1 0 371.462 3.570 20 5 FHBDRO CC[NH+](CC)Cc1ccc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000560993495 930268981 /nfs/dbraw/zinc/26/89/81/930268981.db2.gz YKOMMJATTAVKLD-UHFFFAOYSA-N 1 0 369.465 3.751 20 5 FHBDRO Cc1ccc2cc(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2n1 ZINC000187341487 930282654 /nfs/dbraw/zinc/28/26/54/930282654.db2.gz QZNGVMKMEFOIAC-KRWDZBQOSA-N 1 0 363.421 3.533 20 5 FHBDRO C[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000580273548 930428819 /nfs/dbraw/zinc/42/88/19/930428819.db2.gz CSRBORKKQZGQJF-QAPCUYQASA-N 1 0 371.437 3.635 20 5 FHBDRO [NH3+]CC1(N(Cc2ccccc2)c2cc3cccnc3c3ncccc23)COC1 ZINC001167374382 930434776 /nfs/dbraw/zinc/43/47/76/930434776.db2.gz BHDWKLYEAOOUNW-UHFFFAOYSA-N 1 0 370.456 3.517 20 5 FHBDRO C[C@H]([NH2+][C@@H](Cc1nccn1C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610422086 930498469 /nfs/dbraw/zinc/49/84/69/930498469.db2.gz XEULFMMEMJFTLS-KXBFYZLASA-N 1 0 350.422 3.963 20 5 FHBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1cccs1 ZINC000247260474 930531727 /nfs/dbraw/zinc/53/17/27/930531727.db2.gz FAVJKJHUWOJBBI-NHYWBVRUSA-N 1 0 365.480 3.531 20 5 FHBDRO O=[N+]([O-])c1cc(C[NH2+]CCOCC(F)F)ccc1Oc1ccc(F)cc1 ZINC000471562418 930548923 /nfs/dbraw/zinc/54/89/23/930548923.db2.gz HBWSOWGCFCNGRO-UHFFFAOYSA-N 1 0 370.327 3.898 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCN(c2ccccc2F)C1=O ZINC000536839878 930674209 /nfs/dbraw/zinc/67/42/09/930674209.db2.gz MLYDTSQTKCFVAQ-KDOFPFPSSA-N 1 0 371.412 3.889 20 5 FHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000135057985 930750662 /nfs/dbraw/zinc/75/06/62/930750662.db2.gz WHNYDIMSWDKKCL-ZBFHGGJFSA-N 1 0 373.478 3.639 20 5 FHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000580499024 930758909 /nfs/dbraw/zinc/75/89/09/930758909.db2.gz KGSVICDNIBGBRP-WJDWOHSUSA-N 1 0 352.438 3.783 20 5 FHBDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000236797767 931001842 /nfs/dbraw/zinc/00/18/42/931001842.db2.gz QCOCREWNGNVJOU-NVXWUHKLSA-N 1 0 363.458 3.768 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC12CCCCC2 ZINC000579806839 931063436 /nfs/dbraw/zinc/06/34/36/931063436.db2.gz ZQYUDAPYXJYYPT-UHFFFAOYSA-N 1 0 361.442 3.731 20 5 FHBDRO CC[NH+](CC)[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1ccco1 ZINC000580825025 931222130 /nfs/dbraw/zinc/22/21/30/931222130.db2.gz JKPREQWFRSOBST-LBPRGKRZSA-N 1 0 361.427 3.688 20 5 FHBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC[NH2+]1 ZINC000580900375 931316128 /nfs/dbraw/zinc/31/61/28/931316128.db2.gz SSSALNXCCIGSNT-ZFWWWQNUSA-N 1 0 371.462 3.616 20 5 FHBDRO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000177872289 931397064 /nfs/dbraw/zinc/39/70/64/931397064.db2.gz UCRPHASUCHLTKQ-OCCSQVGLSA-N 1 0 359.451 3.643 20 5 FHBDRO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000177872252 931397089 /nfs/dbraw/zinc/39/70/89/931397089.db2.gz UCRPHASUCHLTKQ-GXTWGEPZSA-N 1 0 359.451 3.643 20 5 FHBDRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000023820488 931420081 /nfs/dbraw/zinc/42/00/81/931420081.db2.gz XPCGNHLSUIXTGN-UHFFFAOYSA-N 1 0 368.220 3.972 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001167443626 931512604 /nfs/dbraw/zinc/51/26/04/931512604.db2.gz YNHMDFKRILZTSX-KRWDZBQOSA-N 1 0 369.465 3.700 20 5 FHBDRO CC(=O)Nc1ccc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000165594277 931930812 /nfs/dbraw/zinc/93/08/12/931930812.db2.gz PPSFTZRHTNNJDW-FQEVSTJZSA-N 1 0 367.449 3.707 20 5 FHBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000610503625 932010232 /nfs/dbraw/zinc/01/02/32/932010232.db2.gz DSVAKOZFVOJLBU-UHFFFAOYSA-N 1 0 373.478 3.946 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(CCC(F)(F)F)CC1CC1 ZINC000084137575 932153153 /nfs/dbraw/zinc/15/31/53/932153153.db2.gz XIJJNQOAENOAMP-UHFFFAOYSA-N 1 0 359.348 3.506 20 5 FHBDRO CC(C)COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000178206446 932892333 /nfs/dbraw/zinc/89/23/33/932892333.db2.gz FVNUBTNYJMQVAN-HNNXBMFYSA-N 1 0 371.437 3.919 20 5 FHBDRO COc1ccc([C@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])cc1OC ZINC000051284036 932901719 /nfs/dbraw/zinc/90/17/19/932901719.db2.gz YMQKVERBOBOEGU-MRXNPFEDSA-N 1 0 372.421 3.828 20 5 FHBDRO CCN1C[C@H](C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)Oc2ccccc21 ZINC000610556992 932969421 /nfs/dbraw/zinc/96/94/21/932969421.db2.gz HXTQDEFXIJGSLB-YJBOKZPZSA-N 1 0 355.438 3.875 20 5 FHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2c(F)cc(F)c(F)c2F)n1 ZINC000430739288 933192345 /nfs/dbraw/zinc/19/23/45/933192345.db2.gz HLWMKMZCZLIGDJ-QWHCGFSZSA-N 1 0 372.322 3.621 20 5 FHBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000510547048 933211305 /nfs/dbraw/zinc/21/13/05/933211305.db2.gz JXGWNTNMKODNTC-DNVCBOLYSA-N 1 0 355.438 3.633 20 5 FHBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000430820045 933260399 /nfs/dbraw/zinc/26/03/99/933260399.db2.gz HISCQJXGYMOJHO-KGLIPLIRSA-N 1 0 353.488 3.595 20 5 FHBDRO CN(C(=O)[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000430879219 933358146 /nfs/dbraw/zinc/35/81/46/933358146.db2.gz MXWBXLVXWVZGDG-CNRGFGOASA-N 1 0 365.433 3.593 20 5 FHBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430932134 933425867 /nfs/dbraw/zinc/42/58/67/933425867.db2.gz YCXSLQZOGIQKIN-IBGZPJMESA-N 1 0 370.449 3.697 20 5 FHBDRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000090069593 933591359 /nfs/dbraw/zinc/59/13/59/933591359.db2.gz XIOJTIYPTYXLQQ-GUYCJALGSA-N 1 0 357.385 3.580 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC12CCCCC2 ZINC000611153899 933601923 /nfs/dbraw/zinc/60/19/23/933601923.db2.gz NICVHUXFJJVRRQ-UHFFFAOYSA-N 1 0 361.442 3.731 20 5 FHBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000610667312 933693180 /nfs/dbraw/zinc/69/31/80/933693180.db2.gz MYSSPTWYTVIRGU-UHFFFAOYSA-N 1 0 373.497 3.642 20 5 FHBDRO CC(C)[NH+](CCSCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000161097975 934030313 /nfs/dbraw/zinc/03/03/13/934030313.db2.gz IATWPVQQFFSZOB-UHFFFAOYSA-N 1 0 364.471 3.997 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)COc1c(C)cccc1C ZINC000610804505 934440013 /nfs/dbraw/zinc/44/00/13/934440013.db2.gz TUDIZHXYQNGPPG-AEFFLSMTSA-N 1 0 358.438 3.611 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(C[NH+](C)C)c(C)c2)c1 ZINC000458267203 934566650 /nfs/dbraw/zinc/56/66/50/934566650.db2.gz FINKFUOAQIKRKP-UHFFFAOYSA-N 1 0 371.437 3.681 20 5 FHBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(Br)s1 ZINC000065208839 934667725 /nfs/dbraw/zinc/66/77/25/934667725.db2.gz OQWBLAOTNXDRIB-UHFFFAOYSA-N 1 0 371.256 3.930 20 5 FHBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(OC)cc1 ZINC000119444864 934809312 /nfs/dbraw/zinc/80/93/12/934809312.db2.gz HAZAGWBYGQFUIG-PBHICJAKSA-N 1 0 371.437 3.980 20 5 FHBDRO COc1cc(C[NH2+]CC2(Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000538450404 934852274 /nfs/dbraw/zinc/85/22/74/934852274.db2.gz ZTCDJVPZULMTMZ-UHFFFAOYSA-N 1 0 374.412 3.864 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCC[NH+](C)C ZINC000611565645 934993789 /nfs/dbraw/zinc/99/37/89/934993789.db2.gz FDWANOGAGMAJGO-UHFFFAOYSA-N 1 0 353.488 3.511 20 5 FHBDRO CC(C)[C@H](C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[NH+](C)C ZINC000472091025 934995331 /nfs/dbraw/zinc/99/53/31/934995331.db2.gz UHPDIZCXDRTAAY-GOSISDBHSA-N 1 0 357.410 3.912 20 5 FHBDRO Cc1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc([N+](=O)[O-])c1 ZINC000119670694 934999670 /nfs/dbraw/zinc/99/96/70/934999670.db2.gz SALKMTGIIBSWGR-OAHLLOKOSA-N 1 0 373.478 3.607 20 5 FHBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1OC(F)F ZINC000539068624 935009083 /nfs/dbraw/zinc/00/90/83/935009083.db2.gz CPZZNXSNRRTFIQ-LBPRGKRZSA-N 1 0 352.337 3.926 20 5 FHBDRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000157055637 935014901 /nfs/dbraw/zinc/01/49/01/935014901.db2.gz NOBOIPAQEVFPDG-KBPBESRZSA-N 1 0 355.394 3.963 20 5 FHBDRO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000511051624 935093015 /nfs/dbraw/zinc/09/30/15/935093015.db2.gz RXSXKNDPBUACPO-IEBWSBKVSA-N 1 0 368.437 3.942 20 5 FHBDRO CC[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(C)cc1 ZINC000539255822 935117704 /nfs/dbraw/zinc/11/77/04/935117704.db2.gz QZFHCXWFQZBJEQ-OALUTQOASA-N 1 0 353.422 3.749 20 5 FHBDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000157756120 935180304 /nfs/dbraw/zinc/18/03/04/935180304.db2.gz GUYDFZHARJYXJK-ZDUSSCGKSA-N 1 0 373.457 3.534 20 5 FHBDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000157909720 935220636 /nfs/dbraw/zinc/22/06/36/935220636.db2.gz BQBIERKZQCFXMT-OCCSQVGLSA-N 1 0 373.457 3.533 20 5 FHBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000051429996 935247193 /nfs/dbraw/zinc/24/71/93/935247193.db2.gz RPVQNCPHUOULBY-HNNXBMFYSA-N 1 0 362.451 3.716 20 5 FHBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000511103241 935574156 /nfs/dbraw/zinc/57/41/56/935574156.db2.gz BTXGPUBOXOVGKN-AWEZNQCLSA-N 1 0 368.359 3.690 20 5 FHBDRO O=[N+]([O-])c1cc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1Oc1ccc(F)cc1 ZINC000427122944 945109834 /nfs/dbraw/zinc/10/98/34/945109834.db2.gz UUQXOUJQXHSDOJ-QAPCUYQASA-N 1 0 371.412 3.710 20 5 FHBDRO Cc1nc(C2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)no1 ZINC000127551519 935618840 /nfs/dbraw/zinc/61/88/40/935618840.db2.gz PDKYNXBLUDOARP-UHFFFAOYSA-N 1 0 368.393 3.926 20 5 FHBDRO CCc1ccc(NC(=O)[C@@H](C)N(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511128535 935729300 /nfs/dbraw/zinc/72/93/00/935729300.db2.gz XGSZNLVBJIYJKZ-OAHLLOKOSA-N 1 0 355.438 3.659 20 5 FHBDRO C[C@@H]([NH2+]CCCCn1cc(Br)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000479442594 935836824 /nfs/dbraw/zinc/83/68/24/935836824.db2.gz DLEUKRZYSJYBLA-GFCCVEGCSA-N 1 0 367.247 3.685 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000158564650 935839711 /nfs/dbraw/zinc/83/97/11/935839711.db2.gz XWHPRBNKLFFNGE-INIZCTEOSA-N 1 0 362.474 3.701 20 5 FHBDRO COCCOc1cc(C)ccc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563417203 935878297 /nfs/dbraw/zinc/87/82/97/935878297.db2.gz JUOGVDQTMIJFKB-SFHVURJKSA-N 1 0 356.422 3.706 20 5 FHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000563419202 935884800 /nfs/dbraw/zinc/88/48/00/935884800.db2.gz UKGAEGRWNUAAQB-CQSZACIVSA-N 1 0 351.328 3.828 20 5 FHBDRO CCC(=O)c1ccc(NC[C@@H](c2cccc(OC)c2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000479852678 935904967 /nfs/dbraw/zinc/90/49/67/935904967.db2.gz NMMYOCBYHHCVNJ-IBGZPJMESA-N 1 0 371.437 3.911 20 5 FHBDRO O=[N+]([O-])c1ccc2ncnc(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)c2c1 ZINC000611710724 935971992 /nfs/dbraw/zinc/97/19/92/935971992.db2.gz NPSPEIPDVVKLHS-INIZCTEOSA-N 1 0 369.469 3.630 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000110870922 945138670 /nfs/dbraw/zinc/13/86/70/945138670.db2.gz YIJYOINYGXBNSN-UHFFFAOYSA-N 1 0 355.438 3.673 20 5 FHBDRO CCC(CC)(CO)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000513534232 936035435 /nfs/dbraw/zinc/03/54/35/936035435.db2.gz VYYFVMIGMWPUNU-UHFFFAOYSA-N 1 0 362.426 3.752 20 5 FHBDRO C[C@H](Cc1cccs1)[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001167610064 936070768 /nfs/dbraw/zinc/07/07/68/936070768.db2.gz ZFMDASXBHMGEQB-GFCCVEGCSA-N 1 0 358.423 3.769 20 5 FHBDRO C[C@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178657955 936088701 /nfs/dbraw/zinc/08/87/01/936088701.db2.gz QXWWYUJORGNLMZ-INIZCTEOSA-N 1 0 367.449 3.798 20 5 FHBDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178679005 936168341 /nfs/dbraw/zinc/16/83/41/936168341.db2.gz YSXAHHVOLKNCAS-SJORKVTESA-N 1 0 357.385 3.580 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000178680202 936172271 /nfs/dbraw/zinc/17/22/71/936172271.db2.gz CYRLDHYZMQZRBC-NEPJUHHUSA-N 1 0 363.364 3.859 20 5 FHBDRO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178682019 936173338 /nfs/dbraw/zinc/17/33/38/936173338.db2.gz RARKZFYTJPXAPB-SJORKVTESA-N 1 0 369.465 3.909 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000178683200 936198880 /nfs/dbraw/zinc/19/88/80/936198880.db2.gz MAPJTGXFHSWEQB-CVEARBPZSA-N 1 0 355.438 3.601 20 5 FHBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000078562849 936202891 /nfs/dbraw/zinc/20/28/91/936202891.db2.gz UVXAVGXXTWSHAO-GFCCVEGCSA-N 1 0 356.264 3.525 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000178686919 936203793 /nfs/dbraw/zinc/20/37/93/936203793.db2.gz KEWGUOGNBVXSOS-NEPJUHHUSA-N 1 0 363.364 3.859 20 5 FHBDRO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178691640 936209006 /nfs/dbraw/zinc/20/90/06/936209006.db2.gz QZBRDUZQLAVTGH-GJZGRUSLSA-N 1 0 371.437 3.980 20 5 FHBDRO O=C(CC[NH2+]Cc1ccc(C2CC2)cc1F)Nc1ccccc1[N+](=O)[O-] ZINC000582841602 936209287 /nfs/dbraw/zinc/20/92/87/936209287.db2.gz PYMVPRSFAALZKO-UHFFFAOYSA-N 1 0 357.385 3.730 20 5 FHBDRO C[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000124117729 945153471 /nfs/dbraw/zinc/15/34/71/945153471.db2.gz PFOPRCDGFQZTBG-VXGBXAGGSA-N 1 0 366.414 3.549 20 5 FHBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCOc3ccc(Cl)cc3)CC2)n1 ZINC000516699962 945156134 /nfs/dbraw/zinc/15/61/34/945156134.db2.gz RRWRSKHPQCFPHU-UHFFFAOYSA-N 1 0 364.833 3.551 20 5 FHBDRO Cc1cccc(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)c1[N+](=O)[O-] ZINC000150980741 938250722 /nfs/dbraw/zinc/25/07/22/938250722.db2.gz RQNGZJNHAPUCKF-UHFFFAOYSA-N 1 0 366.421 3.672 20 5 FHBDRO CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000511806525 945166672 /nfs/dbraw/zinc/16/66/72/945166672.db2.gz JYJHGWWCECHMEU-QGZVFWFLSA-N 1 0 373.497 3.786 20 5 FHBDRO Cc1c([C@@H](C)[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)cccc1[N+](=O)[O-] ZINC000161811563 938343148 /nfs/dbraw/zinc/34/31/48/938343148.db2.gz SWCBMHJCEOOLRB-CZUORRHYSA-N 1 0 363.458 3.857 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000157496348 938381285 /nfs/dbraw/zinc/38/12/85/938381285.db2.gz DLPMOMWXLMVXKF-QGZVFWFLSA-N 1 0 373.497 3.640 20 5 FHBDRO Cc1cccc(N2CCC([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000128154169 938520394 /nfs/dbraw/zinc/52/03/94/938520394.db2.gz UHIUUIHUAITGST-MRXNPFEDSA-N 1 0 354.454 3.926 20 5 FHBDRO COc1cc(CN2CCC(F)(F)[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000584320067 938685247 /nfs/dbraw/zinc/68/52/47/938685247.db2.gz AHFQBPXKWZNTRI-SECBINFHSA-N 1 0 366.311 3.682 20 5 FHBDRO Cc1nccn1C[C@H](C)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000179139872 938979029 /nfs/dbraw/zinc/97/90/29/938979029.db2.gz VLGPPWZQBHMVCW-SUMDDJOVSA-N 1 0 356.470 3.737 20 5 FHBDRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000472336991 938995365 /nfs/dbraw/zinc/99/53/65/938995365.db2.gz GPBZOEUJODAIBE-FUHWJXTLSA-N 1 0 367.449 3.511 20 5 FHBDRO CSCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)cc1 ZINC001125766464 939003259 /nfs/dbraw/zinc/00/32/59/939003259.db2.gz QAAZXSSFCUWOIE-UHFFFAOYSA-N 1 0 368.418 3.896 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000472352521 939015922 /nfs/dbraw/zinc/01/59/22/939015922.db2.gz ZPMLZUMIXUQGGH-FUHWJXTLSA-N 1 0 367.449 3.795 20 5 FHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000612101619 939050517 /nfs/dbraw/zinc/05/05/17/939050517.db2.gz BVSGEGREFYXELJ-QXAKKESOSA-N 1 0 352.438 3.702 20 5 FHBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000511826874 945224354 /nfs/dbraw/zinc/22/43/54/945224354.db2.gz SXGGBWQUQRPNML-CABCVRRESA-N 1 0 368.359 3.736 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](C4OCCO4)C3)s2)cc1 ZINC000179367176 939096776 /nfs/dbraw/zinc/09/67/76/939096776.db2.gz VGNVNOCTQAAUNB-OAHLLOKOSA-N 1 0 374.462 3.908 20 5 FHBDRO Cc1cc([C@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(C)s1 ZINC000179373048 939098254 /nfs/dbraw/zinc/09/82/54/939098254.db2.gz FGLXEEQRVKZBGU-YVEFUNNKSA-N 1 0 359.451 3.729 20 5 FHBDRO CC(C)c1ccc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000091952591 939128454 /nfs/dbraw/zinc/12/84/54/939128454.db2.gz MUOHBUQTYVGVGX-UHFFFAOYSA-N 1 0 361.486 3.797 20 5 FHBDRO COc1ccc(-c2ccc(C[NH+]3CCC4(CCO4)CC3)o2)c([N+](=O)[O-])c1 ZINC000548875505 939175903 /nfs/dbraw/zinc/17/59/03/939175903.db2.gz WYYBVBBNGUUUEU-UHFFFAOYSA-N 1 0 358.394 3.618 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)cc1 ZINC000614235838 939902139 /nfs/dbraw/zinc/90/21/39/939902139.db2.gz KDUPXRAAWAEMKP-SFHVURJKSA-N 1 0 364.449 3.899 20 5 FHBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179758736 939931399 /nfs/dbraw/zinc/93/13/99/939931399.db2.gz AVBSHMFMRQBDEW-CQSZACIVSA-N 1 0 369.421 3.673 20 5 FHBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCCCC1 ZINC000437374733 945282885 /nfs/dbraw/zinc/28/28/85/945282885.db2.gz RNWMKFNWIWMKQH-UHFFFAOYSA-N 1 0 373.375 3.608 20 5 FHBDRO Cc1cc(NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410673182 939941120 /nfs/dbraw/zinc/94/11/20/939941120.db2.gz MPJOPEOGYBKRDO-CHWSQXEVSA-N 1 0 373.375 3.751 20 5 FHBDRO Cc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000364725474 939993352 /nfs/dbraw/zinc/99/33/52/939993352.db2.gz UAJWZSKVPTZPAZ-SFHVURJKSA-N 1 0 371.481 3.518 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCF)cc1 ZINC000136520516 940013633 /nfs/dbraw/zinc/01/36/33/940013633.db2.gz WLNSWMHWJFFNSA-UHFFFAOYSA-N 1 0 354.385 3.897 20 5 FHBDRO CCC[N@H+](C[C@@H]1CCCCO1)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000411371164 940033008 /nfs/dbraw/zinc/03/30/08/940033008.db2.gz WUVHWDXLQGNFBQ-YOEHRIQHSA-N 1 0 374.441 3.987 20 5 FHBDRO CCOc1ccc(NC(=O)CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000411759084 940113185 /nfs/dbraw/zinc/11/31/85/940113185.db2.gz OZAJVEDZBQPDLG-UHFFFAOYSA-N 1 0 371.437 3.847 20 5 FHBDRO CCCNC(=O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000179919201 940129166 /nfs/dbraw/zinc/12/91/66/940129166.db2.gz YQLYNLDQLKXBRL-UHFFFAOYSA-N 1 0 371.437 3.593 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCSC4(CCC4)CC3)n2)cc1 ZINC000411869372 940148370 /nfs/dbraw/zinc/14/83/70/940148370.db2.gz MRSNWMYWRBWIQO-UHFFFAOYSA-N 1 0 360.439 3.506 20 5 FHBDRO CSc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000507520297 945299177 /nfs/dbraw/zinc/29/91/77/945299177.db2.gz OXQWRXOYEJSNHP-CHWSQXEVSA-N 1 0 359.451 3.995 20 5 FHBDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000179948473 940160280 /nfs/dbraw/zinc/16/02/80/940160280.db2.gz TYAAMJOFAVICPC-AWEZNQCLSA-N 1 0 362.451 3.548 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000111054943 945305720 /nfs/dbraw/zinc/30/57/20/945305720.db2.gz IJQSRCOEGKFGJD-HUUCEWRRSA-N 1 0 363.458 3.736 20 5 FHBDRO Cn1nc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c2ccccc21 ZINC000612829262 940300360 /nfs/dbraw/zinc/30/03/60/940300360.db2.gz NAVCOESOVXLCIW-KRWDZBQOSA-N 1 0 350.422 3.592 20 5 FHBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000580006279 940430564 /nfs/dbraw/zinc/43/05/64/940430564.db2.gz SXXITKWJORSMFS-INIZCTEOSA-N 1 0 371.437 3.736 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)C1CC1 ZINC000177805123 940446719 /nfs/dbraw/zinc/44/67/19/940446719.db2.gz OCUGIWKJHZDZKF-FQEVSTJZSA-N 1 0 362.433 3.891 20 5 FHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000580499023 940477089 /nfs/dbraw/zinc/47/70/89/940477089.db2.gz KGSVICDNIBGBRP-LFIBNONCSA-N 1 0 352.438 3.783 20 5 FHBDRO C[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000066410532 940482360 /nfs/dbraw/zinc/48/23/60/940482360.db2.gz KSMZPMKQLRFGIU-HNNXBMFYSA-N 1 0 353.422 3.682 20 5 FHBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000580751413 940484787 /nfs/dbraw/zinc/48/47/87/940484787.db2.gz ZCGSIPZMEGHLMQ-INIZCTEOSA-N 1 0 369.465 3.857 20 5 FHBDRO COc1ccccc1C1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000581864101 940628298 /nfs/dbraw/zinc/62/82/98/940628298.db2.gz MSAFUEGNOVBAOQ-IRXDYDNUSA-N 1 0 370.453 3.605 20 5 FHBDRO Cc1cc(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000173508552 940632909 /nfs/dbraw/zinc/63/29/09/940632909.db2.gz ALMGVMZZZLIXND-QGZVFWFLSA-N 1 0 367.449 3.640 20 5 FHBDRO COc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000582023229 940642295 /nfs/dbraw/zinc/64/22/95/940642295.db2.gz XSPUKRMJKQIZJR-UHFFFAOYSA-N 1 0 369.421 3.842 20 5 FHBDRO CCC[C@H]([NH2+]C[C@H](CO)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000414174352 940711272 /nfs/dbraw/zinc/71/12/72/940711272.db2.gz HFEQCSUZTLUPKY-XLIONFOSSA-N 1 0 358.438 3.810 20 5 FHBDRO C[C@H]1c2ccccc2CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000170957611 940935786 /nfs/dbraw/zinc/93/57/86/940935786.db2.gz UMFQYWUWOMEPPD-AWEZNQCLSA-N 1 0 362.389 3.540 20 5 FHBDRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000180427640 941012717 /nfs/dbraw/zinc/01/27/17/941012717.db2.gz BTXYYZKKDBBFIZ-QWHCGFSZSA-N 1 0 361.829 3.776 20 5 FHBDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180431750 941013276 /nfs/dbraw/zinc/01/32/76/941013276.db2.gz LYYSRBZIYVFPNT-SNVBAGLBSA-N 1 0 351.765 3.677 20 5 FHBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180438822 941014710 /nfs/dbraw/zinc/01/47/10/941014710.db2.gz AFWGVCKYJZGQCH-JTQLQIEISA-N 1 0 351.765 3.677 20 5 FHBDRO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180443147 941015186 /nfs/dbraw/zinc/01/51/86/941015186.db2.gz CMPCSHVEDCATSQ-CXAGYDPISA-N 1 0 373.478 3.843 20 5 FHBDRO CC[C@@H]([NH2+]CCOc1cccc(NC(C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000180450829 941018287 /nfs/dbraw/zinc/01/82/87/941018287.db2.gz NRJBTFZKQKTBAE-LJQANCHMSA-N 1 0 357.410 3.673 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CC[C@@H](O)C3)o2)c(Cl)c1 ZINC000188822540 941096599 /nfs/dbraw/zinc/09/65/99/941096599.db2.gz DOFKIAYKBDXRTI-WCQYABFASA-N 1 0 350.802 3.759 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000188852417 941119054 /nfs/dbraw/zinc/11/90/54/941119054.db2.gz BJCZQOSBDKIAMB-UHFFFAOYSA-N 1 0 368.437 3.821 20 5 FHBDRO Cc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)cc1 ZINC000189099208 941145475 /nfs/dbraw/zinc/14/54/75/941145475.db2.gz PWFKSOUXWBGABM-QFBILLFUSA-N 1 0 367.449 3.663 20 5 FHBDRO C[C@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000189053353 941145685 /nfs/dbraw/zinc/14/56/85/941145685.db2.gz QJQUYXKNORURIN-AWEZNQCLSA-N 1 0 354.385 3.830 20 5 FHBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000189495777 941159349 /nfs/dbraw/zinc/15/93/49/941159349.db2.gz ABAMJKIRVDYPMH-GOEBONIOSA-N 1 0 351.472 3.577 20 5 FHBDRO CC(C)[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@H]1CCC(=O)N1 ZINC000414556401 941378209 /nfs/dbraw/zinc/37/82/09/941378209.db2.gz KDEVEVHUQDOAPC-CQSZACIVSA-N 1 0 373.478 3.812 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000414591185 941388662 /nfs/dbraw/zinc/38/86/62/941388662.db2.gz YKUATOFSKKVEHY-ZIAGYGMSSA-N 1 0 360.410 3.504 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000414591184 941388817 /nfs/dbraw/zinc/38/88/17/941388817.db2.gz YKUATOFSKKVEHY-UONOGXRCSA-N 1 0 360.410 3.504 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000564445282 941514953 /nfs/dbraw/zinc/51/49/53/941514953.db2.gz BUNXEZOGQHLPPU-QGZVFWFLSA-N 1 0 372.425 3.709 20 5 FHBDRO CC1(C)CCC[NH2+][C@@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414923835 941516867 /nfs/dbraw/zinc/51/68/67/941516867.db2.gz GECADLIZJKXFFT-MRXNPFEDSA-N 1 0 360.483 3.586 20 5 FHBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181536960 941537266 /nfs/dbraw/zinc/53/72/66/941537266.db2.gz PHMCFVRVJZPJOO-CABCVRRESA-N 1 0 371.437 3.714 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000377185969 941542333 /nfs/dbraw/zinc/54/23/33/941542333.db2.gz UWGQXEHJZIMHDZ-AEFFLSMTSA-N 1 0 367.449 3.544 20 5 FHBDRO CC(C)n1ncc2cc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)cnc21 ZINC000549153253 941546366 /nfs/dbraw/zinc/54/63/66/941546366.db2.gz GZIKODULOYMYPK-UHFFFAOYSA-N 1 0 353.426 3.595 20 5 FHBDRO COc1ccc(C[NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)cc1[N+](=O)[O-] ZINC000415030533 941554924 /nfs/dbraw/zinc/55/49/24/941554924.db2.gz GHPOKXHZXIHHNV-OAHLLOKOSA-N 1 0 357.410 3.578 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@H](C4CCOCC4)C3)cs2)c1 ZINC000377247820 941592785 /nfs/dbraw/zinc/59/27/85/941592785.db2.gz CLKCZOMFXKIARZ-INIZCTEOSA-N 1 0 373.478 3.967 20 5 FHBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415194288 941662473 /nfs/dbraw/zinc/66/24/73/941662473.db2.gz MUPXWQVUFKOBMZ-ACJLOTCBSA-N 1 0 370.409 3.507 20 5 FHBDRO Cc1cc(NC2CC[NH+](CC3CC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000473524753 941764308 /nfs/dbraw/zinc/76/43/08/941764308.db2.gz IFZGTKSQTYDZLC-UHFFFAOYSA-N 1 0 368.275 3.952 20 5 FHBDRO Cc1ccc(-c2noc([C@@H](C)[NH2+]CCc3ccc([N+](=O)[O-])cc3)n2)cc1F ZINC000513205699 941781179 /nfs/dbraw/zinc/78/11/79/941781179.db2.gz POYFIAKCTKQNHG-CYBMUJFWSA-N 1 0 370.384 3.986 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000415484849 941850365 /nfs/dbraw/zinc/85/03/65/941850365.db2.gz ORKRDVURIVVDAR-MRXNPFEDSA-N 1 0 356.426 3.813 20 5 FHBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412155373 941852571 /nfs/dbraw/zinc/85/25/71/941852571.db2.gz CDMLDVQWFGLXDD-VQTJNVASSA-N 1 0 371.481 3.612 20 5 FHBDRO COc1ccccc1O[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000513395837 941890301 /nfs/dbraw/zinc/89/03/01/941890301.db2.gz AIMIUIUSSDPROG-GOSISDBHSA-N 1 0 372.421 3.526 20 5 FHBDRO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000513401093 941896299 /nfs/dbraw/zinc/89/62/99/941896299.db2.gz IVQWFNXOXJDFIQ-IBGZPJMESA-N 1 0 358.438 3.554 20 5 FHBDRO C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000377686935 941900111 /nfs/dbraw/zinc/90/01/11/941900111.db2.gz DLCMUISBOYSTTF-AEFFLSMTSA-N 1 0 373.840 3.596 20 5 FHBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCN(C2CC2)C1 ZINC000513472813 941952825 /nfs/dbraw/zinc/95/28/25/941952825.db2.gz MOTAHKJIXJIDBO-QGZVFWFLSA-N 1 0 357.479 3.992 20 5 FHBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cc2ccccc2o1 ZINC000182633539 941956446 /nfs/dbraw/zinc/95/64/46/941956446.db2.gz WTZNDNDDZDKCCX-ZDUSSCGKSA-N 1 0 365.389 3.581 20 5 FHBDRO C[C@H]1C[C@H](CC[NH2+]Cc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000513488478 941959716 /nfs/dbraw/zinc/95/97/16/941959716.db2.gz VTZATUYMNGZQGU-HKUYNNGSSA-N 1 0 353.466 3.985 20 5 FHBDRO C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182817198 941971952 /nfs/dbraw/zinc/97/19/52/941971952.db2.gz MTLCLZHGEVLJCV-UKRRQHHQSA-N 1 0 372.469 3.544 20 5 FHBDRO O=C(C[NH2+][C@@H](Cc1ccccc1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000181558235 941983439 /nfs/dbraw/zinc/98/34/39/941983439.db2.gz GIHCZCJRIZLOBT-SFHVURJKSA-N 1 0 373.840 3.798 20 5 FHBDRO C[NH+](C)Cc1cccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000513653037 942057209 /nfs/dbraw/zinc/05/72/09/942057209.db2.gz QABDBWMAFIEDCP-UHFFFAOYSA-N 1 0 365.336 3.510 20 5 FHBDRO CN(C)[C@H](C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C1CC1 ZINC000513648191 942063993 /nfs/dbraw/zinc/06/39/93/942063993.db2.gz OFGQHVKAGPFHNW-OAQYLSRUSA-N 1 0 368.481 3.793 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3Cc3ccccc3)o2)cc1 ZINC000073478389 942081769 /nfs/dbraw/zinc/08/17/69/942081769.db2.gz RKRHIIVSJVXMHZ-GOSISDBHSA-N 1 0 364.405 3.852 20 5 FHBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000473535630 942130016 /nfs/dbraw/zinc/13/00/16/942130016.db2.gz XSKDHLCCVXVXOG-QAPCUYQASA-N 1 0 352.438 3.596 20 5 FHBDRO C[NH2+]Cc1cccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000415916221 942139682 /nfs/dbraw/zinc/13/96/82/942139682.db2.gz BDMKVMAAFUVRLU-UHFFFAOYSA-N 1 0 354.410 3.511 20 5 FHBDRO C[NH2+]Cc1cccc(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000415926146 942155047 /nfs/dbraw/zinc/15/50/47/942155047.db2.gz COOVFNPLTVAYIS-QGZVFWFLSA-N 1 0 368.437 3.726 20 5 FHBDRO C[NH2+]Cc1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000415918818 942156097 /nfs/dbraw/zinc/15/60/97/942156097.db2.gz LVEGWJOSCFGNPY-UHFFFAOYSA-N 1 0 356.426 3.757 20 5 FHBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000024492699 942161581 /nfs/dbraw/zinc/16/15/81/942161581.db2.gz SGMGOHGBGIOZOB-VEGGFIAOSA-N 1 0 369.421 3.544 20 5 FHBDRO CCC[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000168180350 942171916 /nfs/dbraw/zinc/17/19/16/942171916.db2.gz JVTYWLXGKZEMDZ-MAUKXSAKSA-N 1 0 358.417 3.839 20 5 FHBDRO CC(=O)c1ccc(NCc2ccc(OCCC[NH+](C)C)cc2)c([N+](=O)[O-])c1 ZINC000103135223 942219919 /nfs/dbraw/zinc/21/99/19/942219919.db2.gz RMIOVKKTYQOHPI-UHFFFAOYSA-N 1 0 371.437 3.740 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000103231900 942237253 /nfs/dbraw/zinc/23/72/53/942237253.db2.gz QUZRSDIJEHOCRT-KRWDZBQOSA-N 1 0 374.485 3.879 20 5 FHBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000103231888 942237527 /nfs/dbraw/zinc/23/75/27/942237527.db2.gz QXKJYSHIYZDPKW-UHFFFAOYSA-N 1 0 370.453 3.807 20 5 FHBDRO COc1ccc(C[NH2+]CCOc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000237146699 942249132 /nfs/dbraw/zinc/24/91/32/942249132.db2.gz ZTFARLKGTGBAKQ-UHFFFAOYSA-N 1 0 370.327 3.791 20 5 FHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413084360 942272042 /nfs/dbraw/zinc/27/20/42/942272042.db2.gz UQHOWFISATYIHO-XQQFMLRXSA-N 1 0 372.391 3.850 20 5 FHBDRO CCc1cc(N2CCC([NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)ncn1 ZINC000159057559 942273136 /nfs/dbraw/zinc/27/31/36/942273136.db2.gz IGFCUTFOZXFPGI-HNNXBMFYSA-N 1 0 369.469 3.575 20 5 FHBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C)C1 ZINC000093638667 942363966 /nfs/dbraw/zinc/36/39/66/942363966.db2.gz SZFINNBZRYMOJK-RDTXWAMCSA-N 1 0 374.510 3.880 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416122591 942367057 /nfs/dbraw/zinc/36/70/57/942367057.db2.gz JQKDUEJKGPLFQR-UHFFFAOYSA-N 1 0 353.422 3.599 20 5 FHBDRO Cc1cccc(C2([NH2+]Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CCCC2)c1 ZINC000104076626 942390350 /nfs/dbraw/zinc/39/03/50/942390350.db2.gz ABHGZVLXHMATIF-UHFFFAOYSA-N 1 0 353.422 3.561 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413210329 942479393 /nfs/dbraw/zinc/47/93/93/942479393.db2.gz VQZAWSLELWSZEP-AWEZNQCLSA-N 1 0 350.438 3.610 20 5 FHBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000412336326 942501205 /nfs/dbraw/zinc/50/12/05/942501205.db2.gz OUTZBJHDDDJGNL-RUGDWHBFSA-N 1 0 371.437 3.537 20 5 FHBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCC[C@@H]1C ZINC000501477241 942501595 /nfs/dbraw/zinc/50/15/95/942501595.db2.gz IPXSYPCGECEFFZ-NWDGAFQWSA-N 1 0 354.838 3.633 20 5 FHBDRO C[NH+](C)[C@@H](CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000416240534 942532640 /nfs/dbraw/zinc/53/26/40/942532640.db2.gz NGXLISWPVOQXIV-SFHVURJKSA-N 1 0 355.438 3.639 20 5 FHBDRO Cc1cn2c(n1)[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000513821868 942539523 /nfs/dbraw/zinc/53/95/23/942539523.db2.gz RPCFQZLKDIRJQP-WDSOQIARSA-N 1 0 368.481 3.978 20 5 FHBDRO Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000513821869 942539762 /nfs/dbraw/zinc/53/97/62/942539762.db2.gz RPCFQZLKDIRJQP-YTQUADARSA-N 1 0 368.481 3.978 20 5 FHBDRO COc1cccc(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000513827606 942542425 /nfs/dbraw/zinc/54/24/25/942542425.db2.gz SAQMMAGHIWWXSL-MAUKXSAKSA-N 1 0 355.438 3.542 20 5 FHBDRO C[NH+](C)C1(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 ZINC000416306662 942642568 /nfs/dbraw/zinc/64/25/68/942642568.db2.gz HBQSUHPCUPOAOJ-UHFFFAOYSA-N 1 0 371.462 3.570 20 5 FHBDRO CC(C)[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000434621306 942794022 /nfs/dbraw/zinc/79/40/22/942794022.db2.gz RILVDYZOZCYMSZ-UHFFFAOYSA-N 1 0 360.439 3.530 20 5 FHBDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000514188267 942815668 /nfs/dbraw/zinc/81/56/68/942815668.db2.gz CIOTURJYIMJPIV-QGZVFWFLSA-N 1 0 353.422 3.549 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190160072 942833345 /nfs/dbraw/zinc/83/33/45/942833345.db2.gz LFHXAGHJTYGLFB-CQSZACIVSA-N 1 0 373.375 3.752 20 5 FHBDRO COCc1nccc([C@H]2CCC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000378507410 942835809 /nfs/dbraw/zinc/83/58/09/942835809.db2.gz UWVNTSLXVBOBFB-HOTGVXAUSA-N 1 0 370.453 3.780 20 5 FHBDRO COc1ccccc1C1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000365808135 942922362 /nfs/dbraw/zinc/92/23/62/942922362.db2.gz YOMVTTLCEPRIDI-UHFFFAOYSA-N 1 0 357.366 3.547 20 5 FHBDRO CC(C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000434831956 942990259 /nfs/dbraw/zinc/99/02/59/942990259.db2.gz PTHBFYCTMQFBBH-INIZCTEOSA-N 1 0 374.466 3.777 20 5 FHBDRO Cc1ccccc1OCCC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000434836266 942992789 /nfs/dbraw/zinc/99/27/89/942992789.db2.gz LLUKRWUWQIWJMA-UHFFFAOYSA-N 1 0 355.394 3.945 20 5 FHBDRO O=[N+]([O-])c1cccc(OCC[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000505552605 943009736 /nfs/dbraw/zinc/00/97/36/943009736.db2.gz BLVKDXCBRBMSDF-HXUWFJFHSA-N 1 0 356.422 3.655 20 5 FHBDRO COCc1cc([N+](=O)[O-])ccc1NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000425235330 943020761 /nfs/dbraw/zinc/02/07/61/943020761.db2.gz IPLOLUGNKUDWSZ-OAHLLOKOSA-N 1 0 370.453 3.774 20 5 FHBDRO COCC[N@H+](C)CC[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000505560901 943020911 /nfs/dbraw/zinc/02/09/11/943020911.db2.gz YQGPZRGTZHWNRB-SFHVURJKSA-N 1 0 361.417 3.855 20 5 FHBDRO CC(=O)c1cc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000425230768 943025647 /nfs/dbraw/zinc/02/56/47/943025647.db2.gz DBCHURGZUMGSEM-AWEZNQCLSA-N 1 0 368.437 3.830 20 5 FHBDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000434899528 943037272 /nfs/dbraw/zinc/03/72/72/943037272.db2.gz IJWZAHIHZXAQMA-KXBFYZLASA-N 1 0 353.422 3.801 20 5 FHBDRO O=[N+]([O-])c1ccn(CC[N@H+](Cc2cc(F)ccc2F)C2CCCC2)n1 ZINC000434904780 943042358 /nfs/dbraw/zinc/04/23/58/943042358.db2.gz GSVRUUZYUZKITN-UHFFFAOYSA-N 1 0 350.369 3.514 20 5 FHBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000434944373 943057029 /nfs/dbraw/zinc/05/70/29/943057029.db2.gz VPNWZLHTVJGBLN-INIZCTEOSA-N 1 0 374.872 3.992 20 5 FHBDRO CCc1ccc([C@@H](CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000514510964 943073162 /nfs/dbraw/zinc/07/31/62/943073162.db2.gz FYCBLAILXOBIAM-LJQANCHMSA-N 1 0 370.453 3.890 20 5 FHBDRO Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513784865 943114660 /nfs/dbraw/zinc/11/46/60/943114660.db2.gz ARVJRLMBXGGOPD-OLMNPRSZSA-N 1 0 354.454 3.707 20 5 FHBDRO CC[N@H+](C)[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000183751888 943124639 /nfs/dbraw/zinc/12/46/39/943124639.db2.gz MCECIYXRRGMGAG-QGZVFWFLSA-N 1 0 361.829 3.557 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503405639 943166177 /nfs/dbraw/zinc/16/61/77/943166177.db2.gz KCICCFXNCYESOC-MRXNPFEDSA-N 1 0 370.453 3.516 20 5 FHBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1c(C)ccc([N+](=O)[O-])c1C)[NH+](C)C ZINC001269373031 943219171 /nfs/dbraw/zinc/21/91/71/943219171.db2.gz HEOXFONJWKJWFU-OXJNMPFZSA-N 1 0 369.465 3.941 20 5 FHBDRO Cc1cccc2c1OC[C@@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C2 ZINC000514696035 943228053 /nfs/dbraw/zinc/22/80/53/943228053.db2.gz IBSBDZHDJAGDQL-OALUTQOASA-N 1 0 352.434 3.818 20 5 FHBDRO C[C@@]1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000162331917 943332499 /nfs/dbraw/zinc/33/24/99/943332499.db2.gz JRGGNQMZCNPODC-FQEVSTJZSA-N 1 0 371.412 3.518 20 5 FHBDRO [NH3+]C1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000435369380 943363426 /nfs/dbraw/zinc/36/34/26/943363426.db2.gz FCDIRIIICFORTH-UHFFFAOYSA-N 1 0 361.829 3.964 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](c4nnc[nH]4)C3)o2)c(Cl)c1 ZINC000425358794 943364786 /nfs/dbraw/zinc/36/47/86/943364786.db2.gz RMSTZLPGMRSNCW-NSHDSACASA-N 1 0 373.800 3.616 20 5 FHBDRO COc1cccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]2CCCO2)c1 ZINC000053221428 943379974 /nfs/dbraw/zinc/37/99/74/943379974.db2.gz OBCXHWRKWYIPLZ-FQEVSTJZSA-N 1 0 356.422 3.785 20 5 FHBDRO [NH3+][C@H]1C[C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccccc21 ZINC000423086546 943388764 /nfs/dbraw/zinc/38/87/64/943388764.db2.gz MAQZFNVYTRQYSO-JKSUJKDBSA-N 1 0 351.328 3.848 20 5 FHBDRO Cc1ccc(NC(=O)C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000425372366 943392202 /nfs/dbraw/zinc/39/22/02/943392202.db2.gz SKLJVUZDJBFVBZ-CYBMUJFWSA-N 1 0 361.829 3.716 20 5 FHBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000505699457 943433998 /nfs/dbraw/zinc/43/39/98/943433998.db2.gz IEAOPWPQXREGSB-UHFFFAOYSA-N 1 0 373.375 3.562 20 5 FHBDRO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417309712 943506486 /nfs/dbraw/zinc/50/64/86/943506486.db2.gz JWCDVDMOVRYFCH-HXUWFJFHSA-N 1 0 356.470 3.935 20 5 FHBDRO O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CCC[N@@H+]3C3CCCCC3)cc2N1 ZINC000435600783 943519944 /nfs/dbraw/zinc/51/99/44/943519944.db2.gz GDKFYRSHKOUJNH-INIZCTEOSA-N 1 0 372.469 3.689 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOCC(F)(F)C(F)F)CCCC2 ZINC000417335851 943524041 /nfs/dbraw/zinc/52/40/41/943524041.db2.gz UETLBBBEANUCDB-CQSZACIVSA-N 1 0 364.339 3.869 20 5 FHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000566476025 943571539 /nfs/dbraw/zinc/57/15/39/943571539.db2.gz SCDXEGUKPSNJTM-WPGHFRTFSA-N 1 0 358.360 3.655 20 5 FHBDRO Cc1ccc([C@H](C)NC(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000504402623 943616857 /nfs/dbraw/zinc/61/68/57/943616857.db2.gz CBBQEXCXDGQGJB-INIZCTEOSA-N 1 0 364.490 3.724 20 5 FHBDRO COc1ccc([C@@H]2CC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000504501773 943647373 /nfs/dbraw/zinc/64/73/73/943647373.db2.gz BHALSLARKOAPOK-QGZVFWFLSA-N 1 0 356.422 3.862 20 5 FHBDRO CC(C)c1ccc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cc1[N+](=O)[O-] ZINC000423975020 943666060 /nfs/dbraw/zinc/66/60/60/943666060.db2.gz BULVXCCVWSIIIL-UHFFFAOYSA-N 1 0 374.466 3.894 20 5 FHBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000516845198 943765662 /nfs/dbraw/zinc/76/56/62/943765662.db2.gz WEKOFJLHBXARLR-AWEZNQCLSA-N 1 0 359.426 3.583 20 5 FHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000516877708 943787522 /nfs/dbraw/zinc/78/75/22/943787522.db2.gz KHWRYJWTLYLKOF-HNNXBMFYSA-N 1 0 360.797 3.797 20 5 FHBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000515325160 943788962 /nfs/dbraw/zinc/78/89/62/943788962.db2.gz MMGVPBQDTNAKJA-CRAIPNDOSA-N 1 0 371.485 3.609 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2c1cnn2C ZINC000504900436 943877112 /nfs/dbraw/zinc/87/71/12/943877112.db2.gz YBYGDGLDFWGLSA-DZGCQCFKSA-N 1 0 360.483 3.866 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000504900189 943877233 /nfs/dbraw/zinc/87/72/33/943877233.db2.gz SUEGHPLZSWJJFJ-CQSZACIVSA-N 1 0 372.421 3.658 20 5 FHBDRO Cc1cc(C[NH3+])cc(NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000424421255 943898918 /nfs/dbraw/zinc/89/89/18/943898918.db2.gz YABFDCJKKIZZEU-KRWDZBQOSA-N 1 0 368.437 3.773 20 5 FHBDRO C[C@@H]([N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1(C)CC1 ZINC000437524209 943903617 /nfs/dbraw/zinc/90/36/17/943903617.db2.gz MHDADYJOICDVQM-GFCCVEGCSA-N 1 0 374.466 3.777 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1c(C)nn(C)c1C ZINC000504905943 943903952 /nfs/dbraw/zinc/90/39/52/943903952.db2.gz QETWJFTZJFOGBB-HNNXBMFYSA-N 1 0 362.499 3.648 20 5 FHBDRO C[C@@H]1[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CCC12CCOCC2 ZINC000425431163 943921405 /nfs/dbraw/zinc/92/14/05/943921405.db2.gz HKTCRPCNEOUJJA-LBPRGKRZSA-N 1 0 369.259 3.748 20 5 FHBDRO CCOc1ccc([C@H](C)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000504929772 943926491 /nfs/dbraw/zinc/92/64/91/943926491.db2.gz LGUJRZGSXRCMAH-MAUKXSAKSA-N 1 0 361.486 3.909 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(N(C)C)nc1 ZINC000504931512 943927973 /nfs/dbraw/zinc/92/79/73/943927973.db2.gz YNLVYCWXMQLRME-OAHLLOKOSA-N 1 0 360.483 3.716 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CCC)CC1 ZINC000505742226 943929835 /nfs/dbraw/zinc/92/98/35/943929835.db2.gz PHEBZASAJWBCGZ-UHFFFAOYSA-N 1 0 365.499 3.701 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000517048565 943951450 /nfs/dbraw/zinc/95/14/50/943951450.db2.gz SKBISJHGFCHDGZ-CVEARBPZSA-N 1 0 358.438 3.590 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000511645710 944001851 /nfs/dbraw/zinc/00/18/51/944001851.db2.gz GXTWPSXOPTZQFT-AQNXPRMDSA-N 1 0 368.433 3.608 20 5 FHBDRO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000425921036 944175362 /nfs/dbraw/zinc/17/53/62/944175362.db2.gz QNTFRHYIQSVPTE-AWEZNQCLSA-N 1 0 361.467 3.856 20 5 FHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000436299319 944183758 /nfs/dbraw/zinc/18/37/58/944183758.db2.gz JLDYHNPSQITDOU-QGPMSJSTSA-N 1 0 353.422 3.848 20 5 FHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@H]2C[C@H](c3ccccc3F)C2)n1 ZINC000436301178 944185590 /nfs/dbraw/zinc/18/55/90/944185590.db2.gz YGLWGTRCOWFMOY-DTDBQYNISA-N 1 0 358.417 3.950 20 5 FHBDRO CC[NH+](CC)CC1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436304527 944187889 /nfs/dbraw/zinc/18/78/89/944187889.db2.gz FOOYMUANPFCLGO-UHFFFAOYSA-N 1 0 360.380 3.567 20 5 FHBDRO CC(C)c1ccc(C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)cc1[N+](=O)[O-] ZINC000518285182 944234797 /nfs/dbraw/zinc/23/47/97/944234797.db2.gz LYNXHSRCGCDXAI-UHFFFAOYSA-N 1 0 373.497 3.989 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCCCCC1 ZINC000505800090 944245041 /nfs/dbraw/zinc/24/50/41/944245041.db2.gz ZZINSQKUVKQTDO-UHFFFAOYSA-N 1 0 365.499 3.703 20 5 FHBDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000436379408 944265296 /nfs/dbraw/zinc/26/52/96/944265296.db2.gz XUFMKORLGJIRLG-AZUAARDMSA-N 1 0 374.437 3.511 20 5 FHBDRO COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)[NH+](C)C)c1 ZINC000566609070 944281889 /nfs/dbraw/zinc/28/18/89/944281889.db2.gz MVUYRZCKCOVJAW-LJQANCHMSA-N 1 0 357.410 3.521 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425552923 944320062 /nfs/dbraw/zinc/32/00/62/944320062.db2.gz RPFIKNCSACMWNH-SJLPKXTDSA-N 1 0 362.813 3.565 20 5 FHBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH2+][C@@H](C)[C@H]2CCOC2)cc1OC ZINC000500247548 944330136 /nfs/dbraw/zinc/33/01/36/944330136.db2.gz YORDWUZITBLRSK-KKUMJFAQSA-N 1 0 366.458 3.543 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000506490037 944349677 /nfs/dbraw/zinc/34/96/77/944349677.db2.gz WXDSVTIWANDVSE-UHFFFAOYSA-N 1 0 365.499 3.511 20 5 FHBDRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CC3 ZINC000123403577 944357369 /nfs/dbraw/zinc/35/73/69/944357369.db2.gz QWPLGWLMLKRBJU-AWEZNQCLSA-N 1 0 351.406 3.732 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000364338019 944377791 /nfs/dbraw/zinc/37/77/91/944377791.db2.gz JONYUACMUCTMQO-UHFFFAOYSA-N 1 0 368.437 3.770 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)o2)cc1 ZINC000123687108 944397381 /nfs/dbraw/zinc/39/73/81/944397381.db2.gz GIHUJPOMCNXVGJ-HOCLYGCPSA-N 1 0 370.327 3.742 20 5 FHBDRO Cn1c2ccccc2cc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1=O ZINC000426314131 944442901 /nfs/dbraw/zinc/44/29/01/944442901.db2.gz WKJJNGAYIFITGR-LJQANCHMSA-N 1 0 363.417 3.614 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)cc1 ZINC000545541551 944470585 /nfs/dbraw/zinc/47/05/85/944470585.db2.gz IJSROEPMJGUMOI-UHFFFAOYSA-N 1 0 350.378 3.908 20 5 FHBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000110390144 944475405 /nfs/dbraw/zinc/47/54/05/944475405.db2.gz WSEUMRQGEZMYHP-CTXDPNEZSA-N 1 0 365.433 3.520 20 5 FHBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426333730 944478832 /nfs/dbraw/zinc/47/88/32/944478832.db2.gz JBGHENUBDKTKBI-HZPDHXFCSA-N 1 0 374.485 3.532 20 5 FHBDRO CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000516089527 944489610 /nfs/dbraw/zinc/48/96/10/944489610.db2.gz ZLOZJAANHIGERX-SFHVURJKSA-N 1 0 353.422 3.966 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](CC)C1 ZINC000506209272 944526730 /nfs/dbraw/zinc/52/67/30/944526730.db2.gz VGZZXJIVFRIEEP-AWEZNQCLSA-N 1 0 365.499 3.559 20 5 FHBDRO C[C@@H](c1ccccc1F)N1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000550251865 944566278 /nfs/dbraw/zinc/56/62/78/944566278.db2.gz QHXDYYUHOOZMQD-LIRRHRJNSA-N 1 0 371.412 3.576 20 5 FHBDRO C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000550251864 944566636 /nfs/dbraw/zinc/56/66/36/944566636.db2.gz QHXDYYUHOOZMQD-KUHUBIRLSA-N 1 0 371.412 3.576 20 5 FHBDRO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000439380404 944574018 /nfs/dbraw/zinc/57/40/18/944574018.db2.gz BWIXHAOEXKLEQW-UHFFFAOYSA-N 1 0 374.363 3.563 20 5 FHBDRO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000425998160 944585517 /nfs/dbraw/zinc/58/55/17/944585517.db2.gz GHKNJJONXJKSRJ-DZGCQCFKSA-N 1 0 360.385 3.729 20 5 FHBDRO O=C(NCC[NH2+]C1CCCCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418465176 944652466 /nfs/dbraw/zinc/65/24/66/944652466.db2.gz QHYOKSMIHREASI-UHFFFAOYSA-N 1 0 374.485 3.581 20 5 FHBDRO CC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000438485021 944667673 /nfs/dbraw/zinc/66/76/73/944667673.db2.gz CKSOVYSFEMKRKB-OLZOCXBDSA-N 1 0 374.466 3.777 20 5 FHBDRO CC(C)CCSc1ccc(C(=O)NCC[NH2+]C(C)(C)C)cc1[N+](=O)[O-] ZINC000439491806 944673435 /nfs/dbraw/zinc/67/34/35/944673435.db2.gz JBWIZWKBLUNGES-UHFFFAOYSA-N 1 0 367.515 3.851 20 5 FHBDRO CSc1ccc([C@@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000439483683 944684452 /nfs/dbraw/zinc/68/44/52/944684452.db2.gz AGLZQXCCUIYJGJ-CYBMUJFWSA-N 1 0 371.462 3.557 20 5 FHBDRO Cc1ccc(NC(=O)c2ccc(NC[C@@H]3CC[N@@H+](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000517827618 944690488 /nfs/dbraw/zinc/69/04/88/944690488.db2.gz DBZPHRAIYCMGLX-HNNXBMFYSA-N 1 0 368.437 3.519 20 5 FHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCC1 ZINC000438514622 944706708 /nfs/dbraw/zinc/70/67/08/944706708.db2.gz FRXZYIDXORBOCJ-UHFFFAOYSA-N 1 0 365.499 3.557 20 5 FHBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383074036 944707926 /nfs/dbraw/zinc/70/79/26/944707926.db2.gz ZQFIUFVMOZBAFT-KRWDZBQOSA-N 1 0 357.429 3.688 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@H+]2CCC[C@@H](O)C2)cc1 ZINC000505891857 944724940 /nfs/dbraw/zinc/72/49/40/944724940.db2.gz RAIBPUSXOAGERH-OAHLLOKOSA-N 1 0 362.813 3.997 20 5 FHBDRO C[NH+](C)[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000518771954 944730251 /nfs/dbraw/zinc/73/02/51/944730251.db2.gz APLGFABPGBEKHJ-MRXNPFEDSA-N 1 0 359.426 3.581 20 5 FHBDRO C[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@@H+]1CCCC[C@@H]1C ZINC000437933602 944811555 /nfs/dbraw/zinc/81/15/55/944811555.db2.gz PPHIJZNIOYNVMB-HOTGVXAUSA-N 1 0 374.485 3.532 20 5 FHBDRO O=C(C[N@@H+]1CC[C@H]2CCC[C@@H]21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000426455518 944841460 /nfs/dbraw/zinc/84/14/60/944841460.db2.gz TWROVJBEYWOWGE-WBMJQRKESA-N 1 0 372.450 3.531 20 5 FHBDRO COc1ccc(-c2ccc(C[N@H+](C)C[C@@H]3CCCCO3)o2)c([N+](=O)[O-])c1 ZINC000511664843 944893270 /nfs/dbraw/zinc/89/32/70/944893270.db2.gz HQGJJOIKUZJPSA-HNNXBMFYSA-N 1 0 360.410 3.864 20 5 FHBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437951873 944924672 /nfs/dbraw/zinc/92/46/72/944924672.db2.gz HYVCSHORCWJIPW-HZPDHXFCSA-N 1 0 374.485 3.532 20 5 FHBDRO CC1(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000414946146 944982166 /nfs/dbraw/zinc/98/21/66/944982166.db2.gz SULRALXIFSBOMY-UHFFFAOYSA-N 1 0 359.401 3.758 20 5 FHBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000426504575 945021062 /nfs/dbraw/zinc/02/10/62/945021062.db2.gz OHTPWNNRRGZMOF-NRFANRHFSA-N 1 0 367.449 3.710 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000506361077 945022003 /nfs/dbraw/zinc/02/20/03/945022003.db2.gz BZYFLGNUVZWSRU-HNNXBMFYSA-N 1 0 365.499 3.701 20 5 FHBDRO COc1ccccc1[C@H](CNc1ncc([N+](=O)[O-])cc1C)[NH+]1CCCCC1 ZINC000518140036 945050699 /nfs/dbraw/zinc/05/06/99/945050699.db2.gz OCSFJFJULJQHCM-SFHVURJKSA-N 1 0 370.453 3.946 20 5 FHBDRO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@@H]1CCCCO1 ZINC000106867397 945418915 /nfs/dbraw/zinc/41/89/15/945418915.db2.gz VZGUKCKZNVMVRE-KRWDZBQOSA-N 1 0 363.458 3.513 20 5 FHBDRO Cc1cccnc1[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000120878292 945438120 /nfs/dbraw/zinc/43/81/20/945438120.db2.gz YBDSVGPWAQRXCY-YJBOKZPZSA-N 1 0 370.453 3.921 20 5 FHBDRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(C(C)C)c([N+](=O)[O-])c3)C2)n(C)n1 ZINC000444015635 945725570 /nfs/dbraw/zinc/72/55/70/945725570.db2.gz VRRANOMCYIVPHG-QGZVFWFLSA-N 1 0 371.485 3.519 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(Cn3cccn3)c2)cc1[N+](=O)[O-] ZINC000129418238 945773530 /nfs/dbraw/zinc/77/35/30/945773530.db2.gz KDYSXAOTPKAZGO-INIZCTEOSA-N 1 0 350.422 3.999 20 5 FHBDRO O=[N+]([O-])c1ccc([C@H](NCCCNc2ccccn2)C(F)(F)F)cc1 ZINC000519831654 945793399 /nfs/dbraw/zinc/79/33/99/945793399.db2.gz WSILVPRNXXCSRV-HNNXBMFYSA-N 1 0 354.332 3.685 20 5 FHBDRO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c2ccccc21 ZINC000519833053 945795953 /nfs/dbraw/zinc/79/59/53/945795953.db2.gz KXJXTSSOECJHIQ-QZTJIDSGSA-N 1 0 351.406 3.670 20 5 FHBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000550097772 945831400 /nfs/dbraw/zinc/83/14/00/945831400.db2.gz UFKYECLTOGYPGV-DOMZBBRYSA-N 1 0 357.376 3.672 20 5 FHBDRO COc1cccc(C[C@@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])c1 ZINC000108089832 945863023 /nfs/dbraw/zinc/86/30/23/945863023.db2.gz ARMMEUSXDMIGDG-KRWDZBQOSA-N 1 0 356.422 3.689 20 5 FHBDRO NC(=O)C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCCCC1 ZINC000549542735 945996480 /nfs/dbraw/zinc/99/64/80/945996480.db2.gz FUJALMQZDHQOKP-OAHLLOKOSA-N 1 0 373.375 3.528 20 5 FHBDRO Cc1c([C@H](C)[NH2+]Cc2cccc(Cn3cccn3)c2)cccc1[N+](=O)[O-] ZINC000129436038 946013371 /nfs/dbraw/zinc/01/33/71/946013371.db2.gz STMZFCGWBCRTNV-INIZCTEOSA-N 1 0 350.422 3.999 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCCC[C@@H]3O)o2)c(Cl)c1 ZINC000074371109 946069182 /nfs/dbraw/zinc/06/91/82/946069182.db2.gz DAPMTPRZKQBQRJ-HOTGVXAUSA-N 1 0 350.802 3.901 20 5 FHBDRO CC[C@H](Cc1ccccc1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000444223664 946090424 /nfs/dbraw/zinc/09/04/24/946090424.db2.gz JEEZRLSLBBLYIV-QGZVFWFLSA-N 1 0 355.438 3.795 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487354431 946095927 /nfs/dbraw/zinc/09/59/27/946095927.db2.gz MEHHIFSZBVSROT-SJLPKXTDSA-N 1 0 367.449 3.544 20 5 FHBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H]3CCC4(CCCCCC4)O3)C2)nc1 ZINC001167778388 946097575 /nfs/dbraw/zinc/09/75/75/946097575.db2.gz FLCIWFUAHVYBEA-WMZOPIPTSA-N 1 0 374.485 3.748 20 5 FHBDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000444237327 946108585 /nfs/dbraw/zinc/10/85/85/946108585.db2.gz JDMCDGDLVCWAIY-LJQANCHMSA-N 1 0 369.465 3.845 20 5 FHBDRO COC(=O)CCC1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000302109292 946123208 /nfs/dbraw/zinc/12/32/08/946123208.db2.gz YUEHUEBTEHPCRK-UHFFFAOYSA-N 1 0 357.410 3.621 20 5 FHBDRO C/C(=C/C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000785283390 946225868 /nfs/dbraw/zinc/22/58/68/946225868.db2.gz RUABKALSFNFVJK-GDGUIRGDSA-N 1 0 359.470 3.626 20 5 FHBDRO C[NH+](C)CC[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC001126107980 946274766 /nfs/dbraw/zinc/27/47/66/946274766.db2.gz DNKUIIYXNVMJRB-MRXNPFEDSA-N 1 0 369.893 3.663 20 5 FHBDRO COc1ccc(-c2ccc(CNC[C@@H]3CC[N@@H+](C(C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000549551690 946321970 /nfs/dbraw/zinc/32/19/70/946321970.db2.gz XCMKSRSKIPEPTE-HNNXBMFYSA-N 1 0 373.453 3.683 20 5 FHBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](C)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000438502355 946363115 /nfs/dbraw/zinc/36/31/15/946363115.db2.gz VZRGSXSQYBQZNK-IIBYNOLFSA-N 1 0 367.449 3.894 20 5 FHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccncc1OCC(F)F ZINC000441336140 946442623 /nfs/dbraw/zinc/44/26/23/946442623.db2.gz AULBOSFMESOIKG-QPEQYQDCSA-N 1 0 363.364 3.827 20 5 FHBDRO CC(C)(O)C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000111386051 946447405 /nfs/dbraw/zinc/44/74/05/946447405.db2.gz USQXFDZNJKSQKL-UHFFFAOYSA-N 1 0 350.802 3.901 20 5 FHBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000186117818 946487249 /nfs/dbraw/zinc/48/72/49/946487249.db2.gz HXBQLFADCRUZCD-MRXNPFEDSA-N 1 0 374.485 3.533 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000111700560 946514065 /nfs/dbraw/zinc/51/40/65/946514065.db2.gz QFXVUOMAHXPLOA-OAHLLOKOSA-N 1 0 356.426 3.545 20 5 FHBDRO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)n1 ZINC000897044434 946517932 /nfs/dbraw/zinc/51/79/32/946517932.db2.gz OLVXGVLSCIBRFE-RYUDHWBXSA-N 1 0 350.806 3.620 20 5 FHBDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000475158780 946527923 /nfs/dbraw/zinc/52/79/23/946527923.db2.gz NLXNLCZABWVWOE-CVEARBPZSA-N 1 0 361.442 3.697 20 5 FHBDRO Cc1ccc2[nH]c(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc2c1C ZINC000473141740 946580661 /nfs/dbraw/zinc/58/06/61/946580661.db2.gz AYBFOBAPEKIXNU-OAHLLOKOSA-N 1 0 365.437 3.774 20 5 FHBDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000475562423 946667302 /nfs/dbraw/zinc/66/73/02/946667302.db2.gz CPUVVYDCASRAFA-UHFFFAOYSA-N 1 0 350.463 3.797 20 5 FHBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(OC)cc1 ZINC000181816323 946866147 /nfs/dbraw/zinc/86/61/47/946866147.db2.gz SNCIWPIAGSTECN-GOSISDBHSA-N 1 0 371.437 3.981 20 5 FHBDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000444667136 947093929 /nfs/dbraw/zinc/09/39/29/947093929.db2.gz AVMJRXBPSITRKX-YOEHRIQHSA-N 1 0 363.458 3.833 20 5 FHBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCC[C@@H]1C ZINC000444679484 947104515 /nfs/dbraw/zinc/10/45/15/947104515.db2.gz VBVGKNGKXOVCGB-YOEHRIQHSA-N 1 0 363.458 3.833 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000444682201 947107507 /nfs/dbraw/zinc/10/75/07/947107507.db2.gz ZBIQALUANIIPNT-UHFFFAOYSA-N 1 0 367.449 3.895 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)nc2c1 ZINC000444689787 947114074 /nfs/dbraw/zinc/11/40/74/947114074.db2.gz PGAMTSYEWTVBGW-KSSFIOAISA-N 1 0 366.421 3.729 20 5 FHBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2cc(F)cc(F)c2)cccc1[N+](=O)[O-] ZINC000444708557 947136617 /nfs/dbraw/zinc/13/66/17/947136617.db2.gz RHQBNIMCSZLWRP-UHFFFAOYSA-N 1 0 363.364 3.642 20 5 FHBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000152300304 947155646 /nfs/dbraw/zinc/15/56/46/947155646.db2.gz RVORUHCVBACDRK-CQSZACIVSA-N 1 0 373.428 3.522 20 5 FHBDRO COc1sc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000121291837 947162055 /nfs/dbraw/zinc/16/20/55/947162055.db2.gz CINLXLPAQNMLNP-UHFFFAOYSA-N 1 0 371.256 3.760 20 5 FHBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2cccc(OCC(F)(F)F)c2)cs1 ZINC000475613855 947225652 /nfs/dbraw/zinc/22/56/52/947225652.db2.gz DCTGOWNEEUSFJZ-UHFFFAOYSA-N 1 0 360.357 3.930 20 5 FHBDRO CSc1ccccc1[C@H](C)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000440607761 947356217 /nfs/dbraw/zinc/35/62/17/947356217.db2.gz CMMDOWOXZSUMTB-GUYCJALGSA-N 1 0 371.462 3.773 20 5 FHBDRO CSc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000440614298 947376799 /nfs/dbraw/zinc/37/67/99/947376799.db2.gz NCNUEEFYABHNIB-QWHCGFSZSA-N 1 0 359.451 3.995 20 5 FHBDRO CC(C)O[C@H](C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000428387524 947440692 /nfs/dbraw/zinc/44/06/92/947440692.db2.gz YLJQXMYMCMJZTK-PKOBYXMFSA-N 1 0 370.453 3.642 20 5 FHBDRO CC(C)[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCS1 ZINC000072836950 947556307 /nfs/dbraw/zinc/55/63/07/947556307.db2.gz DCSPSXDMSVBEMW-QGZVFWFLSA-N 1 0 361.467 3.866 20 5 FHBDRO COC(=O)c1cc(NC[C@H](c2ccco2)[NH+]2CCCC2)cc(C)c1[N+](=O)[O-] ZINC000440731380 947754349 /nfs/dbraw/zinc/75/43/49/947754349.db2.gz YWADYNFMRTYVQT-MRXNPFEDSA-N 1 0 373.409 3.532 20 5 FHBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1(C)C ZINC000536363699 947770742 /nfs/dbraw/zinc/77/07/42/947770742.db2.gz QUUZHSTYCIFTSX-IRXDYDNUSA-N 1 0 359.426 3.885 20 5 FHBDRO C[C@]1(O)CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000129400138 947820978 /nfs/dbraw/zinc/82/09/78/947820978.db2.gz DJBHPTRGAAFJCL-KRWDZBQOSA-N 1 0 350.802 3.855 20 5 FHBDRO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000500446378 948024949 /nfs/dbraw/zinc/02/49/49/948024949.db2.gz FGKIKMFEOSPMRQ-XYOKQWHBSA-N 1 0 354.332 3.503 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H](O)Cc3ccccc3)o2)c1 ZINC000105492963 948044675 /nfs/dbraw/zinc/04/46/75/948044675.db2.gz XVZIXELYMLADMU-GOSISDBHSA-N 1 0 352.390 3.548 20 5 FHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000184652258 948065333 /nfs/dbraw/zinc/06/53/33/948065333.db2.gz VVEQCSTVALTNHD-LJQANCHMSA-N 1 0 369.465 3.542 20 5 FHBDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000432361282 948214192 /nfs/dbraw/zinc/21/41/92/948214192.db2.gz CQHNIMVWRDOLNM-QAPCUYQASA-N 1 0 355.438 3.877 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCCCC[C@@H]3CCO)cs2)c1 ZINC000585767833 948278492 /nfs/dbraw/zinc/27/84/92/948278492.db2.gz HVXQAWOCJVTQDD-MRXNPFEDSA-N 1 0 361.467 3.845 20 5 FHBDRO COc1ccc(NC(=O)C[N@H+](Cc2ccccc2)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000438595341 948327276 /nfs/dbraw/zinc/32/72/76/948327276.db2.gz GJLBXMKFZJMAMQ-UHFFFAOYSA-N 1 0 371.437 3.843 20 5 FHBDRO CC1(C)C[C@H]([NH2+]Cc2cccnc2-n2cccn2)c2cc([N+](=O)[O-])ccc21 ZINC000279010505 948395083 /nfs/dbraw/zinc/39/50/83/948395083.db2.gz GWGGSVBRNRUQOQ-SFHVURJKSA-N 1 0 363.421 3.688 20 5 FHBDRO CCC(C)(C)[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000441637247 948432382 /nfs/dbraw/zinc/43/23/82/948432382.db2.gz UOPSMMOMWCTYAS-QGZVFWFLSA-N 1 0 363.458 3.833 20 5 FHBDRO CCOc1cc(C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000617196040 948496024 /nfs/dbraw/zinc/49/60/24/948496024.db2.gz CVDFVCPIAHRXJE-QZTJIDSGSA-N 1 0 367.449 3.562 20 5 FHBDRO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000025181019 948632198 /nfs/dbraw/zinc/63/21/98/948632198.db2.gz OWXQXUSHCIAZNH-UHFFFAOYSA-N 1 0 365.433 3.652 20 5 FHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000550433723 948644397 /nfs/dbraw/zinc/64/43/97/948644397.db2.gz SHVIINPURVACGM-LJQANCHMSA-N 1 0 350.459 3.613 20 5 FHBDRO CC(C)c1ccc(CN[C@H](C[S@@](C)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000182097301 948662932 /nfs/dbraw/zinc/66/29/32/948662932.db2.gz VUUUCDAXQZDNIS-IQGLISFBSA-N 1 0 360.479 3.928 20 5 FHBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cncc(Br)c1 ZINC000584733032 948761596 /nfs/dbraw/zinc/76/15/96/948761596.db2.gz WGBOCAGAACWWDV-LLVKDONJSA-N 1 0 350.216 3.646 20 5 FHBDRO CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(C)CC1 ZINC000106165977 222383215 /nfs/dbraw/zinc/38/32/15/222383215.db2.gz UYAYPGHJCMQREI-KRWDZBQOSA-N 1 0 367.877 3.735 20 5 FHBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541785528 567822253 /nfs/dbraw/zinc/82/22/53/567822253.db2.gz AXINFRVKPZOEMS-UHFFFAOYSA-N 1 0 374.416 3.897 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000043149547 567840198 /nfs/dbraw/zinc/84/01/98/567840198.db2.gz LYOQXSCXKXEMJO-UHFFFAOYSA-N 1 0 368.437 3.643 20 5 FHBDRO COc1ccc([C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000061013574 567859374 /nfs/dbraw/zinc/85/93/74/567859374.db2.gz RZTODWAOVBJLIT-OAQYLSRUSA-N 1 0 369.465 3.920 20 5 FHBDRO C[C@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC[C@@H]1[NH3+] ZINC000568149401 567944573 /nfs/dbraw/zinc/94/45/73/567944573.db2.gz KZKVYKCVHGOUPL-UGSOOPFHSA-N 1 0 371.462 3.555 20 5 FHBDRO CC1(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC[NH2+]CC1 ZINC000568153696 567954371 /nfs/dbraw/zinc/95/43/71/567954371.db2.gz SHRGZEBKRRSWHP-UHFFFAOYSA-N 1 0 371.462 3.618 20 5 FHBDRO CCC[C@@H]([NH2+]C[C@H](O)COc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000481537952 568030684 /nfs/dbraw/zinc/03/06/84/568030684.db2.gz VWZYCWXQCJMRRJ-AZUAARDMSA-N 1 0 358.438 3.774 20 5 FHBDRO COc1cc(C[N@@H+]2C[C@H](C)CC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000490341115 568033849 /nfs/dbraw/zinc/03/38/49/568033849.db2.gz PCKVXQAMYRZHMU-VXGBXAGGSA-N 1 0 358.385 3.868 20 5 FHBDRO CC[C@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000481545886 568050494 /nfs/dbraw/zinc/05/04/94/568050494.db2.gz PGAFQJLCUKOVSK-OALUTQOASA-N 1 0 355.438 3.855 20 5 FHBDRO Cc1c([C@H](C)[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000481570067 568057669 /nfs/dbraw/zinc/05/76/69/568057669.db2.gz DLFNDVWWELJSBS-YJBOKZPZSA-N 1 0 355.438 3.773 20 5 FHBDRO Cc1sc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000265004331 568060836 /nfs/dbraw/zinc/06/08/36/568060836.db2.gz FGYPQLXIQWPJTK-ZFWWWQNUSA-N 1 0 365.499 3.691 20 5 FHBDRO COc1ccc(C[NH+]2CCC(CNc3nc(C)ccc3[N+](=O)[O-])CC2)cc1 ZINC000481679885 568085844 /nfs/dbraw/zinc/08/58/44/568085844.db2.gz WBLPAXATOBJQQM-UHFFFAOYSA-N 1 0 370.453 3.631 20 5 FHBDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000291237204 568086747 /nfs/dbraw/zinc/08/67/47/568086747.db2.gz QJEXMIAUEYFEKI-HUUCEWRRSA-N 1 0 368.437 3.926 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@]2(C1)OCc1ccccc12 ZINC000481715165 568094005 /nfs/dbraw/zinc/09/40/05/568094005.db2.gz XITUVHLDDSZNJR-HXUWFJFHSA-N 1 0 354.406 3.625 20 5 FHBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000128663596 568134240 /nfs/dbraw/zinc/13/42/40/568134240.db2.gz PVFSOBAWNDAOIM-UHFFFAOYSA-N 1 0 353.422 3.680 20 5 FHBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1O ZINC000481833641 568146718 /nfs/dbraw/zinc/14/67/18/568146718.db2.gz DSHLCYUBYVCPBE-GXTWGEPZSA-N 1 0 360.385 3.874 20 5 FHBDRO CCOC(CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])OCC ZINC000291545806 568196548 /nfs/dbraw/zinc/19/65/48/568196548.db2.gz LTSQEJRHPASMME-UHFFFAOYSA-N 1 0 351.230 3.780 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1 ZINC000481996426 568219123 /nfs/dbraw/zinc/21/91/23/568219123.db2.gz AEWNVKJYNQQTPL-OAQYLSRUSA-N 1 0 366.465 3.791 20 5 FHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2c[nH]c3ccc(F)cc23)n1 ZINC000482005621 568226327 /nfs/dbraw/zinc/22/63/27/568226327.db2.gz KMLHFPYWNCRQJC-QZTJIDSGSA-N 1 0 371.416 3.728 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000568921890 568252492 /nfs/dbraw/zinc/25/24/92/568252492.db2.gz ORSRYEYAVSFUSW-ZBFHGGJFSA-N 1 0 374.485 3.932 20 5 FHBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC3(CCC3)[C@@H]2c2ccccc2)c1 ZINC000453023917 568254751 /nfs/dbraw/zinc/25/47/51/568254751.db2.gz SBTLSFZKNYHGDU-ICSRJNTNSA-N 1 0 368.433 3.562 20 5 FHBDRO C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000568982538 568260837 /nfs/dbraw/zinc/26/08/37/568260837.db2.gz GAABHLNRHKIFIJ-HIFRSBDPSA-N 1 0 371.462 3.555 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccc(OCC2CC2)nc1)C1CC1 ZINC000482112820 568275561 /nfs/dbraw/zinc/27/55/61/568275561.db2.gz GGLOGTORKDKEEL-IBGZPJMESA-N 1 0 367.449 3.890 20 5 FHBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000569825977 568427941 /nfs/dbraw/zinc/42/79/41/568427941.db2.gz PFBPZFIQZISHRW-IAGOWNOFSA-N 1 0 359.470 3.741 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000570470864 568482686 /nfs/dbraw/zinc/48/26/86/568482686.db2.gz OWXIASUAULSRBU-GDBMZVCRSA-N 1 0 372.421 3.874 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000570470866 568482746 /nfs/dbraw/zinc/48/27/46/568482746.db2.gz OWXIASUAULSRBU-HOCLYGCPSA-N 1 0 372.421 3.874 20 5 FHBDRO C[C@H](O)[C@@](C)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000570697027 568499878 /nfs/dbraw/zinc/49/98/78/568499878.db2.gz ZKWZVFMMJTXFBP-PAXLWEDBSA-N 1 0 354.450 3.802 20 5 FHBDRO COc1cc(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)ccc1[N+](=O)[O-] ZINC000570762608 568520567 /nfs/dbraw/zinc/52/05/67/568520567.db2.gz DXCQLAPKPCFNBB-HXUWFJFHSA-N 1 0 354.406 3.573 20 5 FHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCc3ccc(F)cc3Cl)C2)nc1 ZINC000570864816 568571465 /nfs/dbraw/zinc/57/14/65/568571465.db2.gz APXDOKXOIWWODW-CQSZACIVSA-N 1 0 364.808 3.511 20 5 FHBDRO CC[C@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820920248 606621630 /nfs/dbraw/zinc/62/16/30/606621630.db2.gz OAWVCNOGTGVJCN-PXAZEXFGSA-N 1 0 352.398 3.577 20 5 FHBDRO CCC[C@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000821021155 607086672 /nfs/dbraw/zinc/08/66/72/607086672.db2.gz LMWHQAXEDLUIOA-ACJLOTCBSA-N 1 0 366.425 3.967 20 5 FHBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820926899 607088212 /nfs/dbraw/zinc/08/82/12/607088212.db2.gz XIHIMUAAKKXDRL-YVEFUNNKSA-N 1 0 352.398 3.577 20 5 FHBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164618554 719063409 /nfs/dbraw/zinc/06/34/09/719063409.db2.gz BBIANLPRMBMXRS-QAPCUYQASA-N 1 0 372.856 3.744 20 5 FHBDRO O=[N+]([O-])c1ccc2ccc(N3CCCC[C@H]3CC[NH+]3CCCC3)nc2c1 ZINC001165049745 721968304 /nfs/dbraw/zinc/96/83/04/721968304.db2.gz WJYTXFAPCCTFAM-KRWDZBQOSA-N 1 0 354.454 3.988 20 5 FHBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994857 722192260 /nfs/dbraw/zinc/19/22/60/722192260.db2.gz QHAUADWYKPRFAP-HXUWFJFHSA-N 1 0 370.428 3.682 20 5 FHBDRO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(c1ccccc1)c1ccccc1 ZINC000583110888 937128292 /nfs/dbraw/zinc/12/82/92/937128292.db2.gz ZBBHMKGWKXGCJY-OAHLLOKOSA-N 1 0 350.422 3.639 20 5 FHBDRO COc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000557548037 927049081 /nfs/dbraw/zinc/04/90/81/927049081.db2.gz WWLPFYKHCINBSW-UHFFFAOYSA-N 1 0 369.421 3.842 20 5 FHBDRO CCOC(=O)COc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000430148398 927328383 /nfs/dbraw/zinc/32/83/83/927328383.db2.gz RTCUIBNLDFWGRH-UHFFFAOYSA-N 1 0 372.421 3.562 20 5 FHBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCCCc1ccccc1 ZINC001167053847 927504865 /nfs/dbraw/zinc/50/48/65/927504865.db2.gz CGIBHYQPOQKJJK-MRXNPFEDSA-N 1 0 355.438 3.877 20 5 FHBDRO CC[C@@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000153936737 927573833 /nfs/dbraw/zinc/57/38/33/927573833.db2.gz CRDSXNAJGRSEKI-HXUWFJFHSA-N 1 0 367.449 3.958 20 5 FHBDRO C[C@H]([NH2+]C1(CNc2sccc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000302029061 927945708 /nfs/dbraw/zinc/94/57/08/927945708.db2.gz RLVPTRBQDZFSPK-AWEZNQCLSA-N 1 0 361.467 3.968 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000430207209 928048217 /nfs/dbraw/zinc/04/82/17/928048217.db2.gz MBECJDARGPCTFP-ZDUSSCGKSA-N 1 0 360.410 3.780 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000430207208 928048785 /nfs/dbraw/zinc/04/87/85/928048785.db2.gz MBECJDARGPCTFP-CYBMUJFWSA-N 1 0 360.410 3.780 20 5 FHBDRO COc1ccc(OC)c([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000430212546 928141567 /nfs/dbraw/zinc/14/15/67/928141567.db2.gz OBFWLYAFQHJJQR-SFHVURJKSA-N 1 0 372.421 3.958 20 5 FHBDRO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)nc1 ZINC000471156275 928146191 /nfs/dbraw/zinc/14/61/91/928146191.db2.gz JUCISHOOFRCQDG-CVEARBPZSA-N 1 0 368.437 3.710 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000430232318 928350648 /nfs/dbraw/zinc/35/06/48/928350648.db2.gz MBCKHMSVGQEDIY-SJLPKXTDSA-N 1 0 362.813 3.877 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000133753001 928964543 /nfs/dbraw/zinc/96/45/43/928964543.db2.gz DETRMDIZENPYQQ-ZWKOTPCHSA-N 1 0 353.422 3.768 20 5 FHBDRO Cc1cccc(NC2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000154575569 928993689 /nfs/dbraw/zinc/99/36/89/928993689.db2.gz DXFJHJKDMXOXME-FQEVSTJZSA-N 1 0 355.438 3.513 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000445196537 929023920 /nfs/dbraw/zinc/02/39/20/929023920.db2.gz WQSPNVIDMQLJGC-AWEZNQCLSA-N 1 0 367.877 3.941 20 5 FHBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000547738839 929178359 /nfs/dbraw/zinc/17/83/59/929178359.db2.gz QGUJWXCLIPPFHA-UHFFFAOYSA-N 1 0 363.417 3.901 20 5 FHBDRO CC(C)Cc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000725794823 937315327 /nfs/dbraw/zinc/31/53/27/937315327.db2.gz AEBWOUYGMJONAB-UHFFFAOYSA-N 1 0 354.454 3.511 20 5 FHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430296404 929399113 /nfs/dbraw/zinc/39/91/13/929399113.db2.gz JBTIHIORUVJLNY-DOTOQJQBSA-N 1 0 353.422 3.641 20 5 FHBDRO CCOc1cc(NC[C@H](c2ccccc2OC)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000471241510 929595238 /nfs/dbraw/zinc/59/52/38/929595238.db2.gz QKTQPKCPFKDDAW-QGZVFWFLSA-N 1 0 359.426 3.717 20 5 FHBDRO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000583325935 937348402 /nfs/dbraw/zinc/34/84/02/937348402.db2.gz DWECIZGMRNKCNG-QGZVFWFLSA-N 1 0 356.422 3.955 20 5 FHBDRO CCc1ccc([C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C(C)C)cc1 ZINC000023674593 929692253 /nfs/dbraw/zinc/69/22/53/929692253.db2.gz RNSFGNITKKSDCR-TZIWHRDSSA-N 1 0 372.465 3.884 20 5 FHBDRO CCc1ccc([C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C(C)C)cc1 ZINC000023674596 929692348 /nfs/dbraw/zinc/69/23/48/929692348.db2.gz RNSFGNITKKSDCR-FPOVZHCZSA-N 1 0 372.465 3.884 20 5 FHBDRO Cc1cc(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000471460892 929752872 /nfs/dbraw/zinc/75/28/72/929752872.db2.gz UTURQMSPFVEFKJ-MRXNPFEDSA-N 1 0 355.438 3.544 20 5 FHBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000579993622 929789440 /nfs/dbraw/zinc/78/94/40/929789440.db2.gz OIEGOSUAZBJCEV-OAHLLOKOSA-N 1 0 361.467 3.756 20 5 FHBDRO Cc1c(NC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000610317615 929885382 /nfs/dbraw/zinc/88/53/82/929885382.db2.gz IXBMBSVSLPMLGY-KRWDZBQOSA-N 1 0 368.437 3.641 20 5 FHBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175845933 929953684 /nfs/dbraw/zinc/95/36/84/929953684.db2.gz ZFCUFSLJBLSGQG-HOCLYGCPSA-N 1 0 350.415 3.884 20 5 FHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)c1ccccc1Cl ZINC000579268952 930037096 /nfs/dbraw/zinc/03/70/96/930037096.db2.gz OKNLRHOCXIWIDE-GOEBONIOSA-N 1 0 362.857 3.935 20 5 FHBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)n1 ZINC000134105191 930038849 /nfs/dbraw/zinc/03/88/49/930038849.db2.gz ASBWZNBOYUTMIZ-ZFWWWQNUSA-N 1 0 368.359 3.736 20 5 FHBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000610062980 930065424 /nfs/dbraw/zinc/06/54/24/930065424.db2.gz MZGSABVKUZGIRL-GOSISDBHSA-N 1 0 361.486 3.643 20 5 FHBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1OCC(=O)NC ZINC000610420424 930489939 /nfs/dbraw/zinc/48/99/39/930489939.db2.gz ZNMUEYACHMDNHQ-KSSFIOAISA-N 1 0 371.437 3.522 20 5 FHBDRO C[C@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000379651932 930497691 /nfs/dbraw/zinc/49/76/91/930497691.db2.gz VKWQTRBZGVPKQK-FXAWDEMLSA-N 1 0 353.466 3.780 20 5 FHBDRO CCc1ccc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000610437731 930604207 /nfs/dbraw/zinc/60/42/07/930604207.db2.gz LGKHXMJWDAOPCC-IBGZPJMESA-N 1 0 367.449 3.504 20 5 FHBDRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001167406029 930715461 /nfs/dbraw/zinc/71/54/61/930715461.db2.gz MVUBQFBJAZPFCL-CQSZACIVSA-N 1 0 363.458 3.690 20 5 FHBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000175816910 930747796 /nfs/dbraw/zinc/74/77/96/930747796.db2.gz BDBZZSRUVRVNFS-WBVHZDCISA-N 1 0 362.451 3.623 20 5 FHBDRO C[C@]1(C[NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000261809192 930811307 /nfs/dbraw/zinc/81/13/07/930811307.db2.gz HJNSTCPPQJVNON-LJQANCHMSA-N 1 0 371.462 3.557 20 5 FHBDRO O=C1C[C@@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c2ccccc2N1 ZINC000160542265 930837229 /nfs/dbraw/zinc/83/72/29/930837229.db2.gz QZVQSUQMISDEDO-LPHOPBHVSA-N 1 0 365.433 3.632 20 5 FHBDRO COc1ccc(CN2CC[N@H+](Cc3ccccc3)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000610451949 931018622 /nfs/dbraw/zinc/01/86/22/931018622.db2.gz PRTYLTXLSYCDLV-QGZVFWFLSA-N 1 0 369.465 3.700 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1ccsc1 ZINC000471613394 931058108 /nfs/dbraw/zinc/05/81/08/931058108.db2.gz XMMNMWUHHJRDNS-UONOGXRCSA-N 1 0 352.481 3.850 20 5 FHBDRO CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000581218305 931693429 /nfs/dbraw/zinc/69/34/29/931693429.db2.gz MVESXXGKWKSEAP-XYPWUTKMSA-N 1 0 355.438 3.912 20 5 FHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]([C@@H]3CCCc4ccc(F)cc43)C2)nc1 ZINC000510383284 931811848 /nfs/dbraw/zinc/81/18/48/931811848.db2.gz ZYVBGQMUKDZMQA-CRAIPNDOSA-N 1 0 356.401 3.693 20 5 FHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(N2CCOC2=O)c1 ZINC000157055926 931813335 /nfs/dbraw/zinc/81/33/35/931813335.db2.gz NOBOIPAQEVFPDG-UONOGXRCSA-N 1 0 355.394 3.963 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCO[C@@H](C4CC4)C3)cs2)c1 ZINC000157091856 931834495 /nfs/dbraw/zinc/83/44/95/931834495.db2.gz GHVYHINPIQQCHH-WMLDXEAASA-N 1 0 359.451 3.766 20 5 FHBDRO C[S@](=O)c1ccc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000610575177 932065483 /nfs/dbraw/zinc/06/54/83/932065483.db2.gz KATBNUFBQVOGST-SANMLTNESA-N 1 0 370.430 3.882 20 5 FHBDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc([N+](=O)[O-])c(F)c3)ccc2NC1=O ZINC000276312054 932173126 /nfs/dbraw/zinc/17/31/26/932173126.db2.gz MNZWSPMKDNMCKO-APPDUMDISA-N 1 0 373.384 3.694 20 5 FHBDRO O=[N+]([O-])c1ccc(CNC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000394053998 932323361 /nfs/dbraw/zinc/32/33/61/932323361.db2.gz ZBTKSTOJQHCHSA-HXUWFJFHSA-N 1 0 353.466 3.987 20 5 FHBDRO C[C@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000090910158 932603609 /nfs/dbraw/zinc/60/36/09/932603609.db2.gz XXCNKTONXUBEGE-PXNSSMCTSA-N 1 0 353.466 3.780 20 5 FHBDRO COc1cc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000090910190 932607610 /nfs/dbraw/zinc/60/76/10/932607610.db2.gz MRPLPEIFFBGFKM-CYBMUJFWSA-N 1 0 360.410 3.514 20 5 FHBDRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000247382371 932856340 /nfs/dbraw/zinc/85/63/40/932856340.db2.gz LNBHZBMWFZWFBW-CRAIPNDOSA-N 1 0 373.478 3.778 20 5 FHBDRO CCN1C[C@@H](C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)Oc2ccccc21 ZINC000610556990 932969356 /nfs/dbraw/zinc/96/93/56/932969356.db2.gz HXTQDEFXIJGSLB-MAUKXSAKSA-N 1 0 355.438 3.875 20 5 FHBDRO Cc1ccc(C[NH2+]CCc2ccc(OCC(F)(F)F)nc2)cc1[N+](=O)[O-] ZINC000187570850 933005673 /nfs/dbraw/zinc/00/56/73/933005673.db2.gz WUSALQOZBOJTTO-UHFFFAOYSA-N 1 0 369.343 3.572 20 5 FHBDRO Cc1cccc(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000187608503 933021538 /nfs/dbraw/zinc/02/15/38/933021538.db2.gz GGSMXTKXULZSOL-LJQANCHMSA-N 1 0 367.449 3.544 20 5 FHBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000588440021 933068827 /nfs/dbraw/zinc/06/88/27/933068827.db2.gz PXVVRFVJYHWPCZ-SQFISAMPSA-N 1 0 373.478 3.650 20 5 FHBDRO CC[NH+](CC)CCCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000610572804 933143890 /nfs/dbraw/zinc/14/38/90/933143890.db2.gz SSWUISAJQKJQRR-UHFFFAOYSA-N 1 0 370.453 3.800 20 5 FHBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000588447364 933177214 /nfs/dbraw/zinc/17/72/14/933177214.db2.gz PMBDIQQAOSXBQY-NXVVXOECSA-N 1 0 359.470 3.579 20 5 FHBDRO Cc1sc(C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000510526696 933187317 /nfs/dbraw/zinc/18/73/17/933187317.db2.gz UFJYUFNACBKNRR-YVEFUNNKSA-N 1 0 361.467 3.694 20 5 FHBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000510547047 933211198 /nfs/dbraw/zinc/21/11/98/933211198.db2.gz JXGWNTNMKODNTC-BEFAXECRSA-N 1 0 355.438 3.633 20 5 FHBDRO COc1cccc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000548443979 933797922 /nfs/dbraw/zinc/79/79/22/933797922.db2.gz GDPZRDHCFVYUNQ-QGZVFWFLSA-N 1 0 355.438 3.580 20 5 FHBDRO COc1cccc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000548443978 933798118 /nfs/dbraw/zinc/79/81/18/933798118.db2.gz GDPZRDHCFVYUNQ-KRWDZBQOSA-N 1 0 355.438 3.580 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000510944718 934207071 /nfs/dbraw/zinc/20/70/71/934207071.db2.gz KODRHOJMYBMWSB-UKRRQHHQSA-N 1 0 360.483 3.866 20 5 FHBDRO CCO[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000610930440 934626109 /nfs/dbraw/zinc/62/61/09/934626109.db2.gz DGOZUQMUSYQEMR-OAHLLOKOSA-N 1 0 360.410 3.864 20 5 FHBDRO CC[NH+](CC)Cc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000610961816 934658239 /nfs/dbraw/zinc/65/82/39/934658239.db2.gz BZADIDITXBAJHL-UHFFFAOYSA-N 1 0 371.437 3.834 20 5 FHBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000119449995 934809367 /nfs/dbraw/zinc/80/93/67/934809367.db2.gz KPRCJZDIWPRFHL-UHFFFAOYSA-N 1 0 361.467 3.641 20 5 FHBDRO CC(C)OC1CCC([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000611560818 934844389 /nfs/dbraw/zinc/84/43/89/934844389.db2.gz DJSOPKQJGSFQJG-KVZIAJEVSA-N 1 0 372.469 3.744 20 5 FHBDRO COc1cc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000538738432 934899299 /nfs/dbraw/zinc/89/92/99/934899299.db2.gz VPLNOFDNUGYCSR-QWRGUYRKSA-N 1 0 362.348 3.775 20 5 FHBDRO COc1ccccc1[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)OC(C)C ZINC000472054284 934908504 /nfs/dbraw/zinc/90/85/04/934908504.db2.gz QWMGRBWHSJGEJH-LJQANCHMSA-N 1 0 362.401 3.998 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000611565437 934936298 /nfs/dbraw/zinc/93/62/98/934936298.db2.gz DIABDSVITWYXHQ-ZDUSSCGKSA-N 1 0 365.499 3.557 20 5 FHBDRO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000119654094 934978885 /nfs/dbraw/zinc/97/88/85/934978885.db2.gz LQMKOXFHULRLBE-DOTOQJQBSA-N 1 0 355.438 3.841 20 5 FHBDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000119689878 935030176 /nfs/dbraw/zinc/03/01/76/935030176.db2.gz ANBOTQKGNMLOHR-SJLPKXTDSA-N 1 0 355.438 3.923 20 5 FHBDRO CC(C)[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[NH+]1CCC(C)CC1 ZINC000536509804 935112993 /nfs/dbraw/zinc/11/29/93/935112993.db2.gz NIKCEMHHKILQGO-GOSISDBHSA-N 1 0 372.469 3.562 20 5 FHBDRO COc1cc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000426526465 945081509 /nfs/dbraw/zinc/08/15/09/945081509.db2.gz SYTSXBMVNQLWHP-YPMHNXCESA-N 1 0 356.369 3.622 20 5 FHBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000472143743 935182206 /nfs/dbraw/zinc/18/22/06/935182206.db2.gz HFUKUTQKOGSXJI-IDOMTICXSA-N 1 0 355.438 3.779 20 5 FHBDRO C[C@@H](c1ccncc1)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000091989725 935198960 /nfs/dbraw/zinc/19/89/60/935198960.db2.gz RZIQDPJSSATBFN-AWEZNQCLSA-N 1 0 352.394 3.880 20 5 FHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000551242278 935227952 /nfs/dbraw/zinc/22/79/52/935227952.db2.gz ZQHLBZLNQVXDSN-KRWDZBQOSA-N 1 0 369.465 3.542 20 5 FHBDRO C[NH+](C)CCn1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)n1 ZINC000119799747 935235918 /nfs/dbraw/zinc/23/59/18/935235918.db2.gz NUVZLNOOJLRPGI-UHFFFAOYSA-N 1 0 371.466 3.694 20 5 FHBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000119920954 935332754 /nfs/dbraw/zinc/33/27/54/935332754.db2.gz RLSQZICCPBASSZ-IINYFYTJSA-N 1 0 369.849 3.511 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000119951211 935357889 /nfs/dbraw/zinc/35/78/89/935357889.db2.gz VJBZILAZLOOBQK-UHFFFAOYSA-N 1 0 360.458 3.694 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000119958689 935361429 /nfs/dbraw/zinc/36/14/29/935361429.db2.gz GVPMENBMJDGEMP-UHFFFAOYSA-N 1 0 360.458 3.740 20 5 FHBDRO COc1ccc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000051531711 935433853 /nfs/dbraw/zinc/43/38/53/935433853.db2.gz YKXQCXXYVKKZCL-FQEVSTJZSA-N 1 0 356.422 3.549 20 5 FHBDRO Cn1cc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000582273238 935477685 /nfs/dbraw/zinc/47/76/85/935477685.db2.gz GTFQFAFUGCEXFZ-IBGZPJMESA-N 1 0 352.438 3.760 20 5 FHBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000582320444 935516930 /nfs/dbraw/zinc/51/69/30/935516930.db2.gz CWTUXEVHWYMWJV-WMLDXEAASA-N 1 0 373.453 3.711 20 5 FHBDRO O=[N+]([O-])c1cc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1Oc1ccc(F)cc1 ZINC000427122942 945109616 /nfs/dbraw/zinc/10/96/16/945109616.db2.gz UUQXOUJQXHSDOJ-CRAIPNDOSA-N 1 0 371.412 3.710 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC001167567380 935587163 /nfs/dbraw/zinc/58/71/63/935587163.db2.gz FRXWRFIANXXSRM-OAQYLSRUSA-N 1 0 354.450 3.861 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H]4[NH2+]CC[C@H]4C3)o2)c(Cl)c1 ZINC000427130928 945111251 /nfs/dbraw/zinc/11/12/51/945111251.db2.gz MKWSKWFAZKZYBE-SJCJKPOMSA-N 1 0 361.829 3.692 20 5 FHBDRO COc1cc(C[NH2+]CCSC)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237146966 945112521 /nfs/dbraw/zinc/11/25/21/945112521.db2.gz DBRZGULNECHKFN-UHFFFAOYSA-N 1 0 362.451 3.635 20 5 FHBDRO Cc1cc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000023554691 935673293 /nfs/dbraw/zinc/67/32/93/935673293.db2.gz PUYPUFFRSDREMF-MRXNPFEDSA-N 1 0 359.451 3.532 20 5 FHBDRO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2ccccc2C(F)(F)F)CC2CC2)c1 ZINC000511121404 935692792 /nfs/dbraw/zinc/69/27/92/935692792.db2.gz FTICVXWJVQLOBI-UHFFFAOYSA-N 1 0 368.359 3.722 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000562045915 935694055 /nfs/dbraw/zinc/69/40/55/935694055.db2.gz KDSVBPBTQDGQFV-IBGZPJMESA-N 1 0 367.449 3.631 20 5 FHBDRO CN(CCc1ccccc1[N+](=O)[O-])Cc1noc(-c2ccc(F)cc2F)n1 ZINC000511138197 935774030 /nfs/dbraw/zinc/77/40/30/935774030.db2.gz DYILDVOGSXFFKN-UHFFFAOYSA-N 1 0 374.347 3.598 20 5 FHBDRO C[C@H](c1nc(-c2ccccc2)no1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511141455 935780951 /nfs/dbraw/zinc/78/09/51/935780951.db2.gz MGFWQMXMFZFSKI-CQSZACIVSA-N 1 0 352.394 3.880 20 5 FHBDRO CCc1cc(N2CCC([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)CC2)ncn1 ZINC000159067302 935792884 /nfs/dbraw/zinc/79/28/84/935792884.db2.gz NKDURRRTHKRIBZ-HNNXBMFYSA-N 1 0 369.469 3.575 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000479189704 935816665 /nfs/dbraw/zinc/81/66/65/935816665.db2.gz GJNALCJOZXVRAL-INIZCTEOSA-N 1 0 367.449 3.899 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000158562733 935839619 /nfs/dbraw/zinc/83/96/19/935839619.db2.gz LJTUCBOGWHJXFE-MAUKXSAKSA-N 1 0 372.469 3.692 20 5 FHBDRO CCC[C@H]([NH2+]CC(=O)N1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000479548275 935858653 /nfs/dbraw/zinc/85/86/53/935858653.db2.gz CFCPEAXBHVCPJW-IBGZPJMESA-N 1 0 353.422 3.568 20 5 FHBDRO Cc1ccc([C@H]2CCCCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])o1 ZINC000158655991 935887483 /nfs/dbraw/zinc/88/74/83/935887483.db2.gz LYFXTDFANZBTRY-MRXNPFEDSA-N 1 0 357.410 3.712 20 5 FHBDRO CCOc1cccc2cc([C@@H](C)[NH2+]CCn3c(C)ncc3[N+](=O)[O-])oc21 ZINC000611696693 935935947 /nfs/dbraw/zinc/93/59/47/935935947.db2.gz KAWPVOMKBMXSSS-GFCCVEGCSA-N 1 0 358.398 3.595 20 5 FHBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000140531258 945135944 /nfs/dbraw/zinc/13/59/44/945135944.db2.gz JCOFWJLSGPLGGT-MRXNPFEDSA-N 1 0 373.840 3.554 20 5 FHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000075647632 936014410 /nfs/dbraw/zinc/01/44/10/936014410.db2.gz KYAUDJVXXIPKSN-ZDUSSCGKSA-N 1 0 359.451 3.612 20 5 FHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CC[NH+](C)C)cc2)c1 ZINC000076159044 936023642 /nfs/dbraw/zinc/02/36/42/936023642.db2.gz YRWAFIFXZPLHBY-UHFFFAOYSA-N 1 0 359.451 3.673 20 5 FHBDRO C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178643957 936024652 /nfs/dbraw/zinc/02/46/52/936024652.db2.gz SZEDUXMONHQCJS-QGZVFWFLSA-N 1 0 353.466 3.953 20 5 FHBDRO Cc1nn(C)c(NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1[N+](=O)[O-] ZINC000076772038 936033640 /nfs/dbraw/zinc/03/36/40/936033640.db2.gz JEJDDLQQTUIPPC-CQSZACIVSA-N 1 0 357.458 3.623 20 5 FHBDRO CC[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000472262296 936140485 /nfs/dbraw/zinc/14/04/85/936140485.db2.gz URDGWTCBDNHDDW-BEFAXECRSA-N 1 0 367.449 3.709 20 5 FHBDRO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178679341 936164607 /nfs/dbraw/zinc/16/46/07/936164607.db2.gz HYJCQCYHSHJUEG-HUUCEWRRSA-N 1 0 371.437 3.898 20 5 FHBDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178678993 936168217 /nfs/dbraw/zinc/16/82/17/936168217.db2.gz YSXAHHVOLKNCAS-IAGOWNOFSA-N 1 0 357.385 3.580 20 5 FHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178682370 936173938 /nfs/dbraw/zinc/17/39/38/936173938.db2.gz ZDJOOJUYTXTUPG-KGLIPLIRSA-N 1 0 357.410 3.590 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+]CC2CCN(C(=O)C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000161603426 936273316 /nfs/dbraw/zinc/27/33/16/936273316.db2.gz SMSBBMPAYSUQCQ-OAHLLOKOSA-N 1 0 361.486 3.839 20 5 FHBDRO COCC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)Cc1scnc1C ZINC000426547286 945153408 /nfs/dbraw/zinc/15/34/08/945153408.db2.gz ZPCFXJRZRIXSFU-ZROIWOOFSA-N 1 0 361.467 3.912 20 5 FHBDRO COc1ccc([C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)C)cc1 ZINC000161697180 936291947 /nfs/dbraw/zinc/29/19/47/936291947.db2.gz NOCWYZDFKBRXKY-LJQANCHMSA-N 1 0 372.421 3.957 20 5 FHBDRO CN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000582933405 936305508 /nfs/dbraw/zinc/30/55/08/936305508.db2.gz FMALSSIAVJMMMO-ZWKOTPCHSA-N 1 0 363.820 3.922 20 5 FHBDRO O=[N+]([O-])c1cc(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1Oc1ccc(F)cc1 ZINC000583500149 938281379 /nfs/dbraw/zinc/28/13/79/938281379.db2.gz OINBKAGCYVJBJM-JKSUJKDBSA-N 1 0 371.412 3.568 20 5 FHBDRO C[N@H+](CCCc1nc(-c2ccccc2)no1)Cc1ccccc1[N+](=O)[O-] ZINC000046599200 938303199 /nfs/dbraw/zinc/30/31/99/938303199.db2.gz XSFRZWRCFUUWCK-UHFFFAOYSA-N 1 0 352.394 3.709 20 5 FHBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000511803913 945169451 /nfs/dbraw/zinc/16/94/51/945169451.db2.gz BCCQKKLNGNWMTH-ZIAGYGMSSA-N 1 0 368.359 3.773 20 5 FHBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000179001145 938465205 /nfs/dbraw/zinc/46/52/05/938465205.db2.gz UUCCQKKLJIJOGF-OAHLLOKOSA-N 1 0 368.355 3.649 20 5 FHBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3cccnc3)CC2)c2ccncc21 ZINC000278477602 938465458 /nfs/dbraw/zinc/46/54/58/938465458.db2.gz FBWMEXGSELWDJJ-UHFFFAOYSA-N 1 0 363.421 3.615 20 5 FHBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000472308464 938490951 /nfs/dbraw/zinc/49/09/51/938490951.db2.gz AABVJPZXPLEQOH-JFIYKMOQSA-N 1 0 367.449 3.875 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000583960767 938502828 /nfs/dbraw/zinc/50/28/28/938502828.db2.gz SPDARFAUYHNREI-QAPCUYQASA-N 1 0 358.438 3.638 20 5 FHBDRO Cc1c(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000584191557 938636873 /nfs/dbraw/zinc/63/68/73/938636873.db2.gz MICLLDJMCXUWRS-YJBOKZPZSA-N 1 0 368.437 3.688 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3C[C@@H]4OCCC[C@H]34)o2)c([N+](=O)[O-])c1 ZINC000438906957 945205107 /nfs/dbraw/zinc/20/51/07/945205107.db2.gz IROPOITVIRBJKA-OGWOLHLISA-N 1 0 358.394 3.521 20 5 FHBDRO Cc1cc(N[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611919005 938984819 /nfs/dbraw/zinc/98/48/19/938984819.db2.gz HABWUYNLVYEYMN-NSHDSACASA-N 1 0 363.377 3.628 20 5 FHBDRO CSc1cccc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000188078193 939017659 /nfs/dbraw/zinc/01/76/59/939017659.db2.gz BEHBGUVCSQGGBQ-SCLBCKFNSA-N 1 0 365.499 3.557 20 5 FHBDRO CC[C@H](C)[N@H+](C)Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000179323867 939086009 /nfs/dbraw/zinc/08/60/09/939086009.db2.gz KLMAXHOXGDKJEX-JTQLQIEISA-N 1 0 350.337 3.775 20 5 FHBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000516780502 945233234 /nfs/dbraw/zinc/23/32/34/945233234.db2.gz HYFUWPGZXYUTHA-QGZVFWFLSA-N 1 0 371.462 3.616 20 5 FHBDRO O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000511845873 945265932 /nfs/dbraw/zinc/26/59/32/945265932.db2.gz XUFOPIZIRRQYCI-YQVWRLOYSA-N 1 0 365.433 3.801 20 5 FHBDRO COc1ccc(NC(=O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000179519224 939876661 /nfs/dbraw/zinc/87/66/61/939876661.db2.gz OPDGWMCLNRGVQO-UHFFFAOYSA-N 1 0 369.421 3.597 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@@H]3C[NH+]3CCCC3)cs2)c1 ZINC000179641770 939906699 /nfs/dbraw/zinc/90/66/99/939906699.db2.gz YTXQBIVMQDUXEI-GOSISDBHSA-N 1 0 372.494 3.779 20 5 FHBDRO CC(C)c1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000438958043 945283045 /nfs/dbraw/zinc/28/30/45/945283045.db2.gz LBUBGGFOAUNSJY-INIZCTEOSA-N 1 0 361.467 3.812 20 5 FHBDRO O=C(c1cc2ccccc2c2cccnc12)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000569720390 939940609 /nfs/dbraw/zinc/94/06/09/939940609.db2.gz BXOWAIWKFUGZDA-ROUUACIJSA-N 1 0 359.473 3.850 20 5 FHBDRO Cc1cc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)ncc1[N+](=O)[O-] ZINC000074751647 939960977 /nfs/dbraw/zinc/96/09/77/939960977.db2.gz XFDMLXIZHHETSR-INIZCTEOSA-N 1 0 370.453 3.610 20 5 FHBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000065881373 940018745 /nfs/dbraw/zinc/01/87/45/940018745.db2.gz SFUKYXOJRSOQOH-UHFFFAOYSA-N 1 0 361.829 3.630 20 5 FHBDRO C[C@@H]([NH2+]CCC(=O)NCc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000411462762 940051205 /nfs/dbraw/zinc/05/12/05/940051205.db2.gz VAXHFHZPVUMLHF-CYBMUJFWSA-N 1 0 361.829 3.605 20 5 FHBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000136603877 940054344 /nfs/dbraw/zinc/05/43/44/940054344.db2.gz IPJZDEVAPSYHAW-CHWSQXEVSA-N 1 0 367.877 3.735 20 5 FHBDRO Cc1nc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cs1 ZINC000411554590 940062053 /nfs/dbraw/zinc/06/20/53/940062053.db2.gz LKXLKJCKZXTQBS-MRXNPFEDSA-N 1 0 360.439 3.525 20 5 FHBDRO C[C@H]([NH2+]CCC(=O)NCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000411772015 940115692 /nfs/dbraw/zinc/11/56/92/940115692.db2.gz PMJOWXKJEKMHHS-ZDUSSCGKSA-N 1 0 361.829 3.605 20 5 FHBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000411890225 940154881 /nfs/dbraw/zinc/15/48/81/940154881.db2.gz WWIWDNFLBSTDHD-BBRMVZONSA-N 1 0 357.410 3.671 20 5 FHBDRO O=[N+]([O-])c1cccc([C@H](NC2CC[NH+](C3CC3)CC2)c2ccccc2)c1 ZINC000180029061 940276701 /nfs/dbraw/zinc/27/67/01/940276701.db2.gz PCZGDZGKGKQQAZ-OAQYLSRUSA-N 1 0 351.450 3.901 20 5 FHBDRO CC[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000310653658 940301732 /nfs/dbraw/zinc/30/17/32/940301732.db2.gz SIQYSFBBORAQBC-INIZCTEOSA-N 1 0 351.447 3.893 20 5 FHBDRO O=[N+]([O-])c1ccc(NCC2CCN(c3cc[nH+]cc3)CC2)c2ccncc21 ZINC000180046031 940322524 /nfs/dbraw/zinc/32/25/24/940322524.db2.gz KOQVUNROOVYTON-UHFFFAOYSA-N 1 0 363.421 3.867 20 5 FHBDRO C/C(=C\c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1)c1ccc([N+](=O)[O-])cc1 ZINC000612955409 940358694 /nfs/dbraw/zinc/35/86/94/940358694.db2.gz YTJVMNPDXXRPRD-BDHPRHBFSA-N 1 0 354.410 3.879 20 5 FHBDRO CC[NH+](CC)[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000111102572 945340826 /nfs/dbraw/zinc/34/08/26/945340826.db2.gz GVCDMMUYYPISCY-HNAYVOBHSA-N 1 0 355.438 3.855 20 5 FHBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000613389246 940656956 /nfs/dbraw/zinc/65/69/56/940656956.db2.gz FYKBXYIGNBBUBE-AUUYWEPGSA-N 1 0 367.405 3.504 20 5 FHBDRO COc1ccc(NC(=O)CC[N@H+](C)CCC2CCCCC2)c([N+](=O)[O-])c1 ZINC000507583651 945341469 /nfs/dbraw/zinc/34/14/69/945341469.db2.gz JHVKRYMVUCKPFJ-UHFFFAOYSA-N 1 0 363.458 3.834 20 5 FHBDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000582576624 940737346 /nfs/dbraw/zinc/73/73/46/940737346.db2.gz XFFWWFJHDPMTGV-UHFFFAOYSA-N 1 0 350.463 3.743 20 5 FHBDRO CC[C@@H](CO)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000613477548 940748398 /nfs/dbraw/zinc/74/83/98/940748398.db2.gz VURHAFUAMDERRI-HNNXBMFYSA-N 1 0 355.394 3.509 20 5 FHBDRO CC[C@H](N[C@@H](C)c1ncc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000582596350 940751716 /nfs/dbraw/zinc/75/17/16/940751716.db2.gz IJWUUYBOGORHCE-HZMBPMFUSA-N 1 0 365.231 3.949 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2Cc3cccc(OC)c3C2)cc1[N+](=O)[O-] ZINC000414200169 940752403 /nfs/dbraw/zinc/75/24/03/940752403.db2.gz XISSTMLTSKYHQH-BBRMVZONSA-N 1 0 356.422 3.820 20 5 FHBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000582646865 940789597 /nfs/dbraw/zinc/78/95/97/940789597.db2.gz MBQKQHXRVLUTOC-UHFFFAOYSA-N 1 0 372.469 3.708 20 5 FHBDRO CC[C@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000414257072 940845009 /nfs/dbraw/zinc/84/50/09/940845009.db2.gz LLQRASMGDWJDAY-WFASDCNBSA-N 1 0 370.375 3.986 20 5 FHBDRO CC[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000414257070 940845110 /nfs/dbraw/zinc/84/51/10/940845110.db2.gz LLQRASMGDWJDAY-SWLSCSKDSA-N 1 0 370.375 3.986 20 5 FHBDRO COc1c(O)ccc(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)c1[N+](=O)[O-] ZINC000892583074 940847684 /nfs/dbraw/zinc/84/76/84/940847684.db2.gz SAXCQZUECSSUCI-SNVBAGLBSA-N 1 0 368.336 3.761 20 5 FHBDRO COc1c(O)ccc(C[NH2+][C@H](C)c2cccc(OC(C)C)c2)c1[N+](=O)[O-] ZINC000892587880 940864192 /nfs/dbraw/zinc/86/41/92/940864192.db2.gz CIYMJVLSDYRJHT-CYBMUJFWSA-N 1 0 360.410 3.947 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000414304861 940931700 /nfs/dbraw/zinc/93/17/00/940931700.db2.gz RIHWFAWFEZLHFQ-JMSVASOKSA-N 1 0 360.426 3.604 20 5 FHBDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000540962420 940990018 /nfs/dbraw/zinc/99/00/18/940990018.db2.gz VJPZCPREILYAPD-SJLPKXTDSA-N 1 0 369.465 3.956 20 5 FHBDRO CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180393391 941003485 /nfs/dbraw/zinc/00/34/85/941003485.db2.gz QNVDRWPZZYSFBA-QAPCUYQASA-N 1 0 358.438 3.809 20 5 FHBDRO C[C@H]([NH2+]CCCc1nc(-c2ccccc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000180429049 941013305 /nfs/dbraw/zinc/01/33/05/941013305.db2.gz BPRKAUGOXZGNCP-AWEZNQCLSA-N 1 0 352.394 3.928 20 5 FHBDRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180450817 941018122 /nfs/dbraw/zinc/01/81/22/941018122.db2.gz HJXCAQGZDUPEGA-OLZOCXBDSA-N 1 0 361.829 3.776 20 5 FHBDRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000180450850 941018322 /nfs/dbraw/zinc/01/83/22/941018322.db2.gz HJXCAQGZDUPEGA-CHWSQXEVSA-N 1 0 361.829 3.776 20 5 FHBDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414353671 941029740 /nfs/dbraw/zinc/02/97/40/941029740.db2.gz ZAFYPDKNCRGUGD-CHWSQXEVSA-N 1 0 361.467 3.887 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000180515068 941039459 /nfs/dbraw/zinc/03/94/59/941039459.db2.gz JCVPIMPLRRDULG-UONOGXRCSA-N 1 0 351.447 3.857 20 5 FHBDRO CCOc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000180718263 941068479 /nfs/dbraw/zinc/06/84/79/941068479.db2.gz LAVNLRHPQHWYIO-CQSZACIVSA-N 1 0 357.410 3.673 20 5 FHBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2CCC(C)C)c([N+](=O)[O-])c1 ZINC000472609321 941092302 /nfs/dbraw/zinc/09/23/02/941092302.db2.gz LOTLDCXXYDRHRH-GDBMZVCRSA-N 1 0 363.458 3.736 20 5 FHBDRO O=[N+]([O-])c1cc(Br)ccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000301196451 941099265 /nfs/dbraw/zinc/09/92/65/941099265.db2.gz ULCMLFPNBCWMSV-UHFFFAOYSA-N 1 0 368.275 3.670 20 5 FHBDRO CC[C@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1cccc([N+](=O)[O-])c1 ZINC000181005391 941102714 /nfs/dbraw/zinc/10/27/14/941102714.db2.gz SSURAFODPRXFNK-INIZCTEOSA-N 1 0 356.401 3.904 20 5 FHBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000181345095 941128640 /nfs/dbraw/zinc/12/86/40/941128640.db2.gz DILCDZNEWAJGGA-CYBMUJFWSA-N 1 0 353.488 3.555 20 5 FHBDRO Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000189096427 941145449 /nfs/dbraw/zinc/14/54/49/941145449.db2.gz VUYCADGAXOBFBQ-LPHOPBHVSA-N 1 0 367.449 3.663 20 5 FHBDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000311252959 941151753 /nfs/dbraw/zinc/15/17/53/941151753.db2.gz PBBBNAOQUODKTE-HOCLYGCPSA-N 1 0 363.458 3.768 20 5 FHBDRO COc1cc(C[NH2+]Cc2cccc(CSC)c2)c([N+](=O)[O-])cc1OC ZINC000189484294 941159071 /nfs/dbraw/zinc/15/90/71/941159071.db2.gz GMQATEFJYRVTMN-UHFFFAOYSA-N 1 0 362.451 3.765 20 5 FHBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000189510497 941159540 /nfs/dbraw/zinc/15/95/40/941159540.db2.gz RNLBEVNBXPETGG-GJZGRUSLSA-N 1 0 371.890 3.841 20 5 FHBDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000311311224 941225973 /nfs/dbraw/zinc/22/59/73/941225973.db2.gz YBZCLFRBQONBAP-INIZCTEOSA-N 1 0 363.458 3.768 20 5 FHBDRO Cc1c(C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000311314055 941233394 /nfs/dbraw/zinc/23/33/94/941233394.db2.gz AHXKQOXOWLLGOO-CVEARBPZSA-N 1 0 363.458 3.686 20 5 FHBDRO CN(C(=O)CN(Cc1ccco1)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000053140408 941243854 /nfs/dbraw/zinc/24/38/54/941243854.db2.gz WNCPDRZTUQRNAU-UHFFFAOYSA-N 1 0 357.410 3.595 20 5 FHBDRO Cc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000414545662 941376930 /nfs/dbraw/zinc/37/69/30/941376930.db2.gz XEXCTVQCTXJMSN-HXUWFJFHSA-N 1 0 370.449 3.523 20 5 FHBDRO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414666318 941431495 /nfs/dbraw/zinc/43/14/95/941431495.db2.gz WOYWNSAOYQDNSN-WBVHZDCISA-N 1 0 354.454 3.532 20 5 FHBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000536221737 941474981 /nfs/dbraw/zinc/47/49/81/941474981.db2.gz RZWSVDYTSHEHJH-UHFFFAOYSA-N 1 0 352.394 3.698 20 5 FHBDRO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)c1ccccc1 ZINC000181533941 941528564 /nfs/dbraw/zinc/52/85/64/941528564.db2.gz MDZZOFWRJBZBAH-KGLIPLIRSA-N 1 0 352.394 3.927 20 5 FHBDRO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](C)c1ccccc1 ZINC000181537683 941538106 /nfs/dbraw/zinc/53/81/06/941538106.db2.gz CSTUKUGQXNWXJQ-ZIAGYGMSSA-N 1 0 352.394 3.927 20 5 FHBDRO O=C(NC[C@H]1CCC[NH2+]C1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415196192 941667051 /nfs/dbraw/zinc/66/70/51/941667051.db2.gz RCWXVMFKQZAHGR-AWEZNQCLSA-N 1 0 370.409 3.508 20 5 FHBDRO CC[NH2+][C@H](C)CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415195988 941667056 /nfs/dbraw/zinc/66/70/56/941667056.db2.gz QJVKVTSYOGBRSK-CYBMUJFWSA-N 1 0 358.398 3.507 20 5 FHBDRO C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC[C@@H]1[NH3+] ZINC000415197783 941668804 /nfs/dbraw/zinc/66/88/04/941668804.db2.gz TZASITUTIYFQIO-UGSOOPFHSA-N 1 0 370.409 3.588 20 5 FHBDRO Cc1c(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000549230210 941681557 /nfs/dbraw/zinc/68/15/57/941681557.db2.gz LPTPKNHLEWETKR-INIZCTEOSA-N 1 0 361.829 3.589 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)o1 ZINC000091856040 941793101 /nfs/dbraw/zinc/79/31/01/941793101.db2.gz GVBFRMSTRKDSHX-WMZOPIPTSA-N 1 0 360.435 3.561 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000513275781 941825976 /nfs/dbraw/zinc/82/59/76/941825976.db2.gz KCCOKIHWRSJJKU-LIRRHRJNSA-N 1 0 353.422 3.925 20 5 FHBDRO COc1ccc(NC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000415450988 941828870 /nfs/dbraw/zinc/82/88/70/941828870.db2.gz XAAKUWDRWWHIEC-INIZCTEOSA-N 1 0 372.425 3.548 20 5 FHBDRO C[NH+](C)[C@H]1CCc2ccccc2[C@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000377686936 941899991 /nfs/dbraw/zinc/89/99/91/941899991.db2.gz DLCMUISBOYSTTF-FUHWJXTLSA-N 1 0 373.840 3.596 20 5 FHBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000415583111 941926478 /nfs/dbraw/zinc/92/64/78/941926478.db2.gz QGRFQBDMISNTCC-INIZCTEOSA-N 1 0 356.426 3.596 20 5 FHBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2ccccc2o1 ZINC000182640478 941957097 /nfs/dbraw/zinc/95/70/97/941957097.db2.gz QCMJITRHRYXIFL-DYVFJYSZSA-N 1 0 365.389 3.797 20 5 FHBDRO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000182763080 941965778 /nfs/dbraw/zinc/96/57/78/941965778.db2.gz BQIVUTMMZFBTOL-UHFFFAOYSA-N 1 0 362.455 3.560 20 5 FHBDRO Cc1nc(C)n(C[C@H]2CCC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000182756779 941965851 /nfs/dbraw/zinc/96/58/51/941965851.db2.gz NJOSELNDUSCYDR-YOEHRIQHSA-N 1 0 357.458 3.585 20 5 FHBDRO Cc1c(NC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000377772856 941980554 /nfs/dbraw/zinc/98/05/54/941980554.db2.gz QNLGXDZECLWOHJ-DYVFJYSZSA-N 1 0 374.466 3.779 20 5 FHBDRO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000412257054 941992936 /nfs/dbraw/zinc/99/29/36/941992936.db2.gz MZNBKWGAPZPJJZ-GAZPGATBSA-N 1 0 367.449 3.506 20 5 FHBDRO CN(C)[C@@H](C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C1CC1 ZINC000513648190 942063781 /nfs/dbraw/zinc/06/37/81/942063781.db2.gz OFGQHVKAGPFHNW-NRFANRHFSA-N 1 0 368.481 3.793 20 5 FHBDRO Cn1ccnc1[C@H]([NH2+][C@H]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000513662649 942071692 /nfs/dbraw/zinc/07/16/92/942071692.db2.gz YGOPVIXAQXMFMV-AZUAARDMSA-N 1 0 362.433 3.565 20 5 FHBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cc(Cl)ccc1F ZINC000501901252 942106343 /nfs/dbraw/zinc/10/63/43/942106343.db2.gz SGQRCYYEFKZMRY-UHFFFAOYSA-N 1 0 365.792 3.848 20 5 FHBDRO O=C(c1ccccc1)c1ccc(NCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000501945402 942126097 /nfs/dbraw/zinc/12/60/97/942126097.db2.gz KVLBOTCDQHASFF-UHFFFAOYSA-N 1 0 353.422 3.724 20 5 FHBDRO CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000501953168 942136181 /nfs/dbraw/zinc/13/61/81/942136181.db2.gz ZCWHETAAZVDRJY-GDBMZVCRSA-N 1 0 373.478 3.954 20 5 FHBDRO CC[NH2+]Cc1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000415911042 942144471 /nfs/dbraw/zinc/14/44/71/942144471.db2.gz IXZAQTHWTVONML-UHFFFAOYSA-N 1 0 368.437 3.901 20 5 FHBDRO COc1cc(CN2CCSC[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000128374376 942168585 /nfs/dbraw/zinc/16/85/85/942168585.db2.gz BETFUWLIHVMRNQ-QGZVFWFLSA-N 1 0 374.462 3.902 20 5 FHBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000473535358 942170084 /nfs/dbraw/zinc/17/00/84/942170084.db2.gz XSKDHLCCVXVXOG-CRAIPNDOSA-N 1 0 352.438 3.596 20 5 FHBDRO CCC[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000168180039 942170971 /nfs/dbraw/zinc/17/09/71/942170971.db2.gz JVTYWLXGKZEMDZ-QAPCUYQASA-N 1 0 358.417 3.839 20 5 FHBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC(c2c[nH]cn2)CC1 ZINC000378074940 942251009 /nfs/dbraw/zinc/25/10/09/942251009.db2.gz JYNGGOYEKFXENV-UHFFFAOYSA-N 1 0 356.407 3.552 20 5 FHBDRO O=[N+]([O-])c1ccc2ccnc(NC3CC[NH+](Cc4ccccn4)CC3)c2c1 ZINC000413073827 942259741 /nfs/dbraw/zinc/25/97/41/942259741.db2.gz IPOURONVRFWNQR-UHFFFAOYSA-N 1 0 363.421 3.615 20 5 FHBDRO COc1ccccc1C(C)(C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000103484088 942268157 /nfs/dbraw/zinc/26/81/57/942268157.db2.gz MHEGNDFEHNTMMW-UHFFFAOYSA-N 1 0 371.437 3.765 20 5 FHBDRO CCc1cc(N2CCC([NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)ncn1 ZINC000159057678 942274342 /nfs/dbraw/zinc/27/43/42/942274342.db2.gz IGFCUTFOZXFPGI-OAHLLOKOSA-N 1 0 369.469 3.575 20 5 FHBDRO C[C@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000312024070 942284765 /nfs/dbraw/zinc/28/47/65/942284765.db2.gz WYOWHLKUPHVCRY-BBRMVZONSA-N 1 0 373.840 3.641 20 5 FHBDRO O=C(CC[N@@H+]1CC[C@H](c2cccc(F)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501138283 942325648 /nfs/dbraw/zinc/32/56/48/942325648.db2.gz XOOZZQYNVJAKAN-HNNXBMFYSA-N 1 0 357.385 3.552 20 5 FHBDRO COCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000501162805 942332081 /nfs/dbraw/zinc/33/20/81/942332081.db2.gz KMVXVKZZIMZPOI-MRXNPFEDSA-N 1 0 371.437 3.633 20 5 FHBDRO Cc1sc(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000103971726 942357309 /nfs/dbraw/zinc/35/73/09/942357309.db2.gz UQCKLGNBTIDCSQ-LBPRGKRZSA-N 1 0 361.467 3.824 20 5 FHBDRO O=C(C[NH2+]C1(c2ccc(F)cc2)CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000104076520 942390246 /nfs/dbraw/zinc/39/02/46/942390246.db2.gz PEMRNFHBMQNOET-UHFFFAOYSA-N 1 0 357.385 3.732 20 5 FHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH2+]C1CCCCC1 ZINC000419916897 942443740 /nfs/dbraw/zinc/44/37/40/942443740.db2.gz GIXMOVBDKUNVFX-UHFFFAOYSA-N 1 0 365.499 3.749 20 5 FHBDRO C[NH+](C)[C@H](CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000416199980 942480001 /nfs/dbraw/zinc/48/00/01/942480001.db2.gz AUQOKRWPTLDGHB-QGZVFWFLSA-N 1 0 361.829 3.557 20 5 FHBDRO CC[C@@H]1C[C@@]1([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000502525162 942499052 /nfs/dbraw/zinc/49/90/52/942499052.db2.gz UUYFJDUNFLDRQS-QRWLVFNGSA-N 1 0 353.422 3.757 20 5 FHBDRO Cc1nn(-c2ccccc2)cc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549410081 942508604 /nfs/dbraw/zinc/50/86/04/942508604.db2.gz NVXSSTDPJPRTSK-UHFFFAOYSA-N 1 0 350.422 3.763 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000120208773 942508810 /nfs/dbraw/zinc/50/88/10/942508810.db2.gz KLGAOJSFIQOJNA-CVEARBPZSA-N 1 0 360.458 3.691 20 5 FHBDRO CC1CC[NH+](CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000046738147 942512684 /nfs/dbraw/zinc/51/26/84/942512684.db2.gz AEMBEVZALBOTCC-UHFFFAOYSA-N 1 0 368.865 3.882 20 5 FHBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](O)CC34CCC4)o2)c([N+](=O)[O-])c1 ZINC000421370531 942521934 /nfs/dbraw/zinc/52/19/34/942521934.db2.gz JRAFISIWYXOTAN-AWEZNQCLSA-N 1 0 372.421 3.743 20 5 FHBDRO COc1cccc(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000513827608 942542604 /nfs/dbraw/zinc/54/26/04/942542604.db2.gz SAQMMAGHIWWXSL-YJBOKZPZSA-N 1 0 355.438 3.542 20 5 FHBDRO CC[C@@H]1C[C@]1([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000502564085 942545628 /nfs/dbraw/zinc/54/56/28/942545628.db2.gz TWPUCWADBFFLGE-PLMTUMEDSA-N 1 0 370.449 3.558 20 5 FHBDRO COc1cccc([C@H]2[C@@H](Nc3ncc([N+](=O)[O-])cc3F)CC[N@@H+]2C2CC2)c1 ZINC000413246425 942561055 /nfs/dbraw/zinc/56/10/55/942561055.db2.gz ZNDRTHQCHVRMNN-ROUUACIJSA-N 1 0 372.400 3.527 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000421438039 942573857 /nfs/dbraw/zinc/57/38/57/942573857.db2.gz UCMAAQUKEQAAFU-KRWDZBQOSA-N 1 0 365.433 3.836 20 5 FHBDRO Cc1ccc(NC(=O)[C@H](SCC[NH+](C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000120236243 942607091 /nfs/dbraw/zinc/60/70/91/942607091.db2.gz QMSZYHUQKRXGJM-GOSISDBHSA-N 1 0 373.478 3.878 20 5 FHBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 ZINC000416286732 942612047 /nfs/dbraw/zinc/61/20/47/942612047.db2.gz BQVSJQZYIIDVDY-UHFFFAOYSA-N 1 0 371.462 3.570 20 5 FHBDRO COCc1cc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1F ZINC000151176535 942613891 /nfs/dbraw/zinc/61/38/91/942613891.db2.gz FYEDCHXBIPECSQ-IBGZPJMESA-N 1 0 358.413 3.991 20 5 FHBDRO Cc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)cc([N+](=O)[O-])c1 ZINC000425082724 942688237 /nfs/dbraw/zinc/68/82/37/942688237.db2.gz OVJAXWORPKYUOW-UHFFFAOYSA-N 1 0 374.466 3.769 20 5 FHBDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000183629712 942752249 /nfs/dbraw/zinc/75/22/49/942752249.db2.gz NENFSCQMLWULBA-AWEZNQCLSA-N 1 0 367.405 3.963 20 5 FHBDRO CC[C@@H]([NH2+]CCNc1cc(OC)cc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000181604992 942864610 /nfs/dbraw/zinc/86/46/10/942864610.db2.gz KJGGKRRMJYXBFJ-LJQANCHMSA-N 1 0 359.426 3.765 20 5 FHBDRO C[NH+](C)[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1 ZINC000016599500 942884822 /nfs/dbraw/zinc/88/48/22/942884822.db2.gz UBVDMBHWXJNSAJ-INIZCTEOSA-N 1 0 369.446 3.842 20 5 FHBDRO Cc1ccc([C@]2(C)CC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1 ZINC000434744332 942936992 /nfs/dbraw/zinc/93/69/92/942936992.db2.gz HXDQZBFMPBYTNY-OAQYLSRUSA-N 1 0 368.433 3.933 20 5 FHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1cccc2[nH]ccc21 ZINC000503074909 942958246 /nfs/dbraw/zinc/95/82/46/942958246.db2.gz LEBZNJFIBLXABN-CQSZACIVSA-N 1 0 366.421 3.626 20 5 FHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCOCC(F)(F)C(F)F ZINC000434786956 942965885 /nfs/dbraw/zinc/96/58/85/942965885.db2.gz SNSZTDHLYFUMOW-YRNVUSSQSA-N 1 0 350.312 3.505 20 5 FHBDRO O=[N+]([O-])c1ccc2oc(CN3CCC[N@H+](CC4CCCCC4)CC3)nc2c1 ZINC000434829631 942982694 /nfs/dbraw/zinc/98/26/94/942982694.db2.gz GPWZMXBRPNXLRB-UHFFFAOYSA-N 1 0 372.469 3.824 20 5 FHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)c1ccsc1 ZINC000031987274 943002039 /nfs/dbraw/zinc/00/20/39/943002039.db2.gz ARZLWTNXKWKCAI-KRWDZBQOSA-N 1 0 361.467 3.778 20 5 FHBDRO COCc1cc([N+](=O)[O-])ccc1NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000425235329 943020787 /nfs/dbraw/zinc/02/07/87/943020787.db2.gz IPLOLUGNKUDWSZ-HNNXBMFYSA-N 1 0 370.453 3.774 20 5 FHBDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000434899527 943037166 /nfs/dbraw/zinc/03/71/66/943037166.db2.gz IJWZAHIHZXAQMA-HNAYVOBHSA-N 1 0 353.422 3.801 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000434906337 943043141 /nfs/dbraw/zinc/04/31/41/943043141.db2.gz UABCDNBGRRDXQY-YJBOKZPZSA-N 1 0 353.422 3.720 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000434906334 943043360 /nfs/dbraw/zinc/04/33/60/943043360.db2.gz UABCDNBGRRDXQY-CRAIPNDOSA-N 1 0 353.422 3.720 20 5 FHBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000425246173 943050567 /nfs/dbraw/zinc/05/05/67/943050567.db2.gz XWHAJVFLXCXBQY-AWEZNQCLSA-N 1 0 367.453 3.595 20 5 FHBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000505577571 943056580 /nfs/dbraw/zinc/05/65/80/943056580.db2.gz YHJRHFSHUGHUBP-UHFFFAOYSA-N 1 0 374.444 3.979 20 5 FHBDRO COCC[N@H+](C)CC[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000505577198 943068957 /nfs/dbraw/zinc/06/89/57/943068957.db2.gz RPWXIPMJHFVYJN-QGZVFWFLSA-N 1 0 361.417 3.855 20 5 FHBDRO Cc1c(C[NH2+][C@H](Cn2ccccc2=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000503270652 943094297 /nfs/dbraw/zinc/09/42/97/943094297.db2.gz PSQJFKYMSCULNH-LJQANCHMSA-N 1 0 363.417 3.596 20 5 FHBDRO CCCNC(=O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236842676 943119743 /nfs/dbraw/zinc/11/97/43/943119743.db2.gz PNZRRDRIQNERLR-UHFFFAOYSA-N 1 0 365.817 3.514 20 5 FHBDRO CC[NH+](CC)Cc1ccc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000016779872 943138826 /nfs/dbraw/zinc/13/88/26/943138826.db2.gz OPERCHOFQODBSP-SDNWHVSQSA-N 1 0 367.449 3.766 20 5 FHBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425275259 943160120 /nfs/dbraw/zinc/16/01/20/943160120.db2.gz NJDARCBXYDIORJ-LAUBAEHRSA-N 1 0 365.433 3.508 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000503401474 943163718 /nfs/dbraw/zinc/16/37/18/943163718.db2.gz CKRQPCNFKYHUQA-UONOGXRCSA-N 1 0 365.499 3.652 20 5 FHBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1c(C)ccc([N+](=O)[O-])c1C)[NH+](C)C ZINC001269373033 943218924 /nfs/dbraw/zinc/21/89/24/943218924.db2.gz HEOXFONJWKJWFU-UZLBHIALSA-N 1 0 369.465 3.941 20 5 FHBDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000435234967 943271529 /nfs/dbraw/zinc/27/15/29/943271529.db2.gz BPORYYRMFIMZIU-OAHLLOKOSA-N 1 0 358.394 3.630 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](c4nnc[nH]4)C3)o2)c(Cl)c1 ZINC000425358788 943364871 /nfs/dbraw/zinc/36/48/71/943364871.db2.gz RMSTZLPGMRSNCW-LLVKDONJSA-N 1 0 373.800 3.616 20 5 FHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000514910372 943381297 /nfs/dbraw/zinc/38/12/97/943381297.db2.gz SHMSUYZMGSEKLC-MEJTZIMASA-N 1 0 358.360 3.633 20 5 FHBDRO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000514948518 943415148 /nfs/dbraw/zinc/41/51/48/943415148.db2.gz LSWQPLHRDGJFJV-UHFFFAOYSA-N 1 0 373.478 3.818 20 5 FHBDRO CC(C)c1ccc([C@H](N)C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000423234307 943443087 /nfs/dbraw/zinc/44/30/87/943443087.db2.gz FOCNFGNTAONNRR-CEXWTWQISA-N 1 0 371.485 3.688 20 5 FHBDRO CC(C)[C@@H](C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H](C)[NH3+] ZINC000423217170 943446230 /nfs/dbraw/zinc/44/62/30/943446230.db2.gz TUPICGJVPAMDLD-SCLBCKFNSA-N 1 0 357.410 3.945 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000162365761 943449474 /nfs/dbraw/zinc/44/94/74/943449474.db2.gz SHFRTVJPCIRFTD-CYBMUJFWSA-N 1 0 361.829 3.637 20 5 FHBDRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417316592 943502288 /nfs/dbraw/zinc/50/22/88/943502288.db2.gz UNJFGMSUVQJBON-MDZRGWNJSA-N 1 0 359.470 3.599 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCOCC1CCOCC1)CCCC2 ZINC000417310799 943507994 /nfs/dbraw/zinc/50/79/94/943507994.db2.gz KXCYSWYMTAWNDC-FQEVSTJZSA-N 1 0 362.470 3.785 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(c3ccccn3)C1)CCCC2 ZINC000417314625 943509599 /nfs/dbraw/zinc/50/95/99/943509599.db2.gz ZHJYCLLEGGTGQY-VQIMIIECSA-N 1 0 352.438 3.626 20 5 FHBDRO C[C@@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CN1C(=O)OC(C)(C)C ZINC000690822926 943513942 /nfs/dbraw/zinc/51/39/42/943513942.db2.gz JMZGVDPVJIILCC-YPMHNXCESA-N 1 0 355.460 3.534 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000435771624 943601673 /nfs/dbraw/zinc/60/16/73/943601673.db2.gz MJENNCFFCBXXQO-WDZFZDKYSA-N 1 0 351.450 3.816 20 5 FHBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000423944490 943652886 /nfs/dbraw/zinc/65/28/86/943652886.db2.gz SFAGSSUKRZUHBM-KRWDZBQOSA-N 1 0 355.438 3.512 20 5 FHBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423970415 943661242 /nfs/dbraw/zinc/66/12/42/943661242.db2.gz MVJGODBZYVTBRT-KSSFIOAISA-N 1 0 373.478 3.672 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000504554676 943677262 /nfs/dbraw/zinc/67/72/62/943677262.db2.gz MJUBLUDAEMOALY-INIZCTEOSA-N 1 0 355.438 3.555 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000504591736 943703535 /nfs/dbraw/zinc/70/35/35/943703535.db2.gz JOTWUUMGKWQYFQ-UONOGXRCSA-N 1 0 365.499 3.652 20 5 FHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000516877709 943787374 /nfs/dbraw/zinc/78/73/74/943787374.db2.gz KHWRYJWTLYLKOF-OAHLLOKOSA-N 1 0 360.797 3.797 20 5 FHBDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@H]2C1 ZINC000424284370 943837278 /nfs/dbraw/zinc/83/72/78/943837278.db2.gz SLIFCQGOKCURFT-UYHFZUPTSA-N 1 0 358.360 3.907 20 5 FHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@@]1(F)c1ccccc1 ZINC000424319103 943842060 /nfs/dbraw/zinc/84/20/60/943842060.db2.gz DPSIYWTZXQGTBS-XVGQJIODSA-N 1 0 357.385 3.539 20 5 FHBDRO C[C@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000424336159 943850207 /nfs/dbraw/zinc/85/02/07/943850207.db2.gz YLZNBSKWNXHXDE-KBPBESRZSA-N 1 0 373.478 3.842 20 5 FHBDRO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000425416289 943858286 /nfs/dbraw/zinc/85/82/86/943858286.db2.gz GBWAEGAYXHIQSH-TZMCWYRMSA-N 1 0 369.259 3.606 20 5 FHBDRO CC[N@H+](CCc1nccs1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425419319 943863966 /nfs/dbraw/zinc/86/39/66/943863966.db2.gz KVKPZQDGOCGOPA-UHFFFAOYSA-N 1 0 370.272 3.878 20 5 FHBDRO Cc1cc(C[NH3+])cc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000424439650 943914643 /nfs/dbraw/zinc/91/46/43/943914643.db2.gz SJPQOLDKGBQZPS-UHFFFAOYSA-N 1 0 354.410 3.558 20 5 FHBDRO CCCCO[C@@H]1C[C@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001167960082 943935893 /nfs/dbraw/zinc/93/58/93/943935893.db2.gz RXWDNEDQBXIXKS-OKZBNKHCSA-N 1 0 350.459 3.544 20 5 FHBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312614934 943980254 /nfs/dbraw/zinc/98/02/54/943980254.db2.gz ZYYRLKLZOPDTNP-ZBFHGGJFSA-N 1 0 370.409 3.826 20 5 FHBDRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000436052623 943995226 /nfs/dbraw/zinc/99/52/26/943995226.db2.gz MUGXWMUYNRHBNM-CABCVRRESA-N 1 0 360.483 3.532 20 5 FHBDRO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000437637342 944004211 /nfs/dbraw/zinc/00/42/11/944004211.db2.gz VHJVWOCNTPETQW-HNAYVOBHSA-N 1 0 374.485 3.752 20 5 FHBDRO O=C(CC[N@@H+]1CCC[C@@H](Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500103009 944099789 /nfs/dbraw/zinc/09/97/89/944099789.db2.gz GXWGAZWDWDAGGS-SFHVURJKSA-N 1 0 367.449 3.878 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000436309728 944206212 /nfs/dbraw/zinc/20/62/12/944206212.db2.gz PJIWNMBUSVEAMT-NXHRZFHOSA-N 1 0 359.470 3.735 20 5 FHBDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1(C)C ZINC000436376470 944245661 /nfs/dbraw/zinc/24/56/61/944245661.db2.gz HUWLGEYRIHQRQA-ICSRJNTNSA-N 1 0 374.437 3.511 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000505804810 944252342 /nfs/dbraw/zinc/25/23/42/944252342.db2.gz GQLBTLTYHNCOCY-CQSZACIVSA-N 1 0 365.499 3.701 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000436403288 944280416 /nfs/dbraw/zinc/28/04/16/944280416.db2.gz IHBIFOCMFWTIBY-ARTVWEGUSA-N 1 0 358.360 3.681 20 5 FHBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000418229595 944286894 /nfs/dbraw/zinc/28/68/94/944286894.db2.gz HIUXALKSMGQBCQ-LIRRHRJNSA-N 1 0 370.453 3.778 20 5 FHBDRO O=[N+]([O-])c1cc(F)c(CN2CC3(CCC3)[C@@H]2C2CCOCC2)c(F)c1 ZINC000425546484 944307887 /nfs/dbraw/zinc/30/78/87/944307887.db2.gz DXRBMXCSCPPZRD-KRWDZBQOSA-N 1 0 352.381 3.654 20 5 FHBDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000500233464 944312866 /nfs/dbraw/zinc/31/28/66/944312866.db2.gz GHPIFBRQVLFZQU-KRWDZBQOSA-N 1 0 353.422 3.549 20 5 FHBDRO COCC[N@H+](CCOc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1C ZINC000517521967 944359289 /nfs/dbraw/zinc/35/92/89/944359289.db2.gz JARBQYDXQHZAKX-UHFFFAOYSA-N 1 0 362.401 3.570 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1CCCNc1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001167752434 944363732 /nfs/dbraw/zinc/36/37/32/944363732.db2.gz VSQXUTSFZFNFII-NSHDSACASA-N 1 0 353.854 3.592 20 5 FHBDRO CC(C)c1ccc(C[NH2+]CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000517542962 944372939 /nfs/dbraw/zinc/37/29/39/944372939.db2.gz MMCNFCPYLIMSGD-HOTGVXAUSA-N 1 0 363.502 3.696 20 5 FHBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)c(F)c1 ZINC000550190343 944373105 /nfs/dbraw/zinc/37/31/05/944373105.db2.gz UXCDQAANXFSKQT-UHFFFAOYSA-N 1 0 362.376 3.755 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC001167754104 944375738 /nfs/dbraw/zinc/37/57/38/944375738.db2.gz VAWXPRZGSPOJMS-OAHLLOKOSA-N 1 0 371.441 3.854 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)o1 ZINC000123703682 944412224 /nfs/dbraw/zinc/41/22/24/944412224.db2.gz SCJXZVSRZKSHAR-ZBFHGGJFSA-N 1 0 370.327 3.742 20 5 FHBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000516063145 944463387 /nfs/dbraw/zinc/46/33/87/944463387.db2.gz NNJBCCRWAINFQH-GFCCVEGCSA-N 1 0 359.411 3.814 20 5 FHBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H](C)C1 ZINC000516190645 944579587 /nfs/dbraw/zinc/57/95/87/944579587.db2.gz BZIKNDVROHFMCM-IIYDPXPESA-N 1 0 371.403 3.776 20 5 FHBDRO CC(C)c1ccc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000439417428 944591124 /nfs/dbraw/zinc/59/11/24/944591124.db2.gz BSUVZDDKSYLPRR-MRXNPFEDSA-N 1 0 361.486 3.960 20 5 FHBDRO COc1nc2ccccc2cc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000517782297 944608632 /nfs/dbraw/zinc/60/86/32/944608632.db2.gz DCCGDTNYFWVINI-UHFFFAOYSA-N 1 0 351.406 3.826 20 5 FHBDRO CCc1oc(C(=O)OC)cc1CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000426401551 944671806 /nfs/dbraw/zinc/67/18/06/944671806.db2.gz GLRSBGSJDUDLER-UHFFFAOYSA-N 1 0 360.410 3.947 20 5 FHBDRO C[N@@H+]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1ccccc1 ZINC000536261095 944672241 /nfs/dbraw/zinc/67/22/41/944672241.db2.gz BENVAAWMCKZWRI-QFBILLFUSA-N 1 0 365.389 3.516 20 5 FHBDRO CC(C)[C@@H]1CC[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000438491647 944683821 /nfs/dbraw/zinc/68/38/21/944683821.db2.gz NEFKQRCJNKGYDS-CQSZACIVSA-N 1 0 374.466 3.635 20 5 FHBDRO C[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[N@@H+]1CCCC[C@@H]1C ZINC000426031536 944694426 /nfs/dbraw/zinc/69/44/26/944694426.db2.gz YHKBEMJBKAKXGS-JKSUJKDBSA-N 1 0 374.485 3.532 20 5 FHBDRO CCOC(=O)C1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000473060846 944761986 /nfs/dbraw/zinc/76/19/86/944761986.db2.gz YDGVOHWKWULYJF-UHFFFAOYSA-N 1 0 360.435 3.756 20 5 FHBDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000506942384 944763766 /nfs/dbraw/zinc/76/37/66/944763766.db2.gz INPDQSBCMWGYBE-XGINMYPSSA-N 1 0 373.840 3.871 20 5 FHBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000426772055 944789941 /nfs/dbraw/zinc/78/99/41/944789941.db2.gz HVKFVOBHURFYAI-OAHLLOKOSA-N 1 0 370.453 3.507 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000092929194 944881580 /nfs/dbraw/zinc/88/15/80/944881580.db2.gz DIPNPUBJYDQLEF-OAHLLOKOSA-N 1 0 359.470 3.609 20 5 FHBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2CO)ccc1Oc1ccccc1Cl ZINC000511664019 944892169 /nfs/dbraw/zinc/89/21/69/944892169.db2.gz FNXQSVIISUSUNB-AWEZNQCLSA-N 1 0 362.813 3.997 20 5 FHBDRO C[C@@H](CO[C@@H]1CCOC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000151204206 944990447 /nfs/dbraw/zinc/99/04/47/944990447.db2.gz XITIZYVZHLLZQB-XJKSGUPXSA-N 1 0 362.451 3.607 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc3N(C)C2)cc1[N+](=O)[O-] ZINC000437079191 944996268 /nfs/dbraw/zinc/99/62/68/944996268.db2.gz PTBZKAGWRHSLSM-CVEARBPZSA-N 1 0 369.465 3.953 20 5 FHBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000426498588 945007030 /nfs/dbraw/zinc/00/70/30/945007030.db2.gz HVKFVOBHURFYAI-HNNXBMFYSA-N 1 0 370.453 3.507 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000414948941 945018454 /nfs/dbraw/zinc/01/84/54/945018454.db2.gz MXRQDQXRMQCFIA-FIXKIMANSA-N 1 0 373.403 3.622 20 5 FHBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000426504576 945021262 /nfs/dbraw/zinc/02/12/62/945021262.db2.gz OHTPWNNRRGZMOF-OAQYLSRUSA-N 1 0 367.449 3.710 20 5 FHBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000516583914 945037533 /nfs/dbraw/zinc/03/75/33/945037533.db2.gz LVRJOPOARJVIGH-DKKFBQAASA-N 1 0 370.453 3.566 20 5 FHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000506367028 945051093 /nfs/dbraw/zinc/05/10/93/945051093.db2.gz BXYQGZLYJYUCTJ-UHFFFAOYSA-N 1 0 369.412 3.647 20 5 FHBDRO C[C@H](NCc1nccn1CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000164242170 945430069 /nfs/dbraw/zinc/43/00/69/945430069.db2.gz UNYKQLCDKGFEPF-INIZCTEOSA-N 1 0 350.422 3.885 20 5 FHBDRO Cc1cccnc1[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000120878151 945436957 /nfs/dbraw/zinc/43/69/57/945436957.db2.gz YBDSVGPWAQRXCY-MAUKXSAKSA-N 1 0 370.453 3.921 20 5 FHBDRO CCc1ccc([C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000018180261 945445505 /nfs/dbraw/zinc/44/55/05/945445505.db2.gz GGIPSERQUNEPHN-SFHVURJKSA-N 1 0 356.426 3.582 20 5 FHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2nccs2)CC1 ZINC000281480829 945654932 /nfs/dbraw/zinc/65/49/32/945654932.db2.gz FTQJFOMTUJECPD-CQSZACIVSA-N 1 0 360.483 3.631 20 5 FHBDRO C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000519749622 945715252 /nfs/dbraw/zinc/71/52/52/945715252.db2.gz XJLXQNVITAPNQQ-VQIMIIECSA-N 1 0 360.385 3.792 20 5 FHBDRO Cc1ccc([C@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000143163185 945853872 /nfs/dbraw/zinc/85/38/72/945853872.db2.gz GBFDAEIZJFNKLA-IBGZPJMESA-N 1 0 367.449 3.779 20 5 FHBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1Cl ZINC000439698185 945941735 /nfs/dbraw/zinc/94/17/35/945941735.db2.gz XEVLICWPZHEWPL-MRXNPFEDSA-N 1 0 374.872 3.992 20 5 FHBDRO C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000248647118 945981008 /nfs/dbraw/zinc/98/10/08/945981008.db2.gz SREXQJVFIHFUKR-IQUTYRLHSA-N 1 0 373.428 3.645 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487354430 946096154 /nfs/dbraw/zinc/09/61/54/946096154.db2.gz MEHHIFSZBVSROT-FUHWJXTLSA-N 1 0 367.449 3.544 20 5 FHBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@H]3CCC4(CCCCCC4)O3)C2)nc1 ZINC001167778385 946097440 /nfs/dbraw/zinc/09/74/40/946097440.db2.gz FLCIWFUAHVYBEA-FUHWJXTLSA-N 1 0 374.485 3.748 20 5 FHBDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000248748069 946097797 /nfs/dbraw/zinc/09/77/97/946097797.db2.gz SMYIOLHPHPIAAX-UXIGCNINSA-N 1 0 354.834 3.706 20 5 FHBDRO C/C(=C\C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000785283394 946226199 /nfs/dbraw/zinc/22/61/99/946226199.db2.gz RUABKALSFNFVJK-WUVIJCSQSA-N 1 0 359.470 3.626 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+]CCc2csc(N3CCCC3)n2)cc1[N+](=O)[O-] ZINC000129475420 946324427 /nfs/dbraw/zinc/32/44/27/946324427.db2.gz IQVQHMOGEVLMKU-AWEZNQCLSA-N 1 0 360.483 3.853 20 5 FHBDRO Cc1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000109564751 946339817 /nfs/dbraw/zinc/33/98/17/946339817.db2.gz APOKLOJDPKVUJT-OAHLLOKOSA-N 1 0 373.478 3.607 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCN3CC=CCC3)o2)c(Cl)c1 ZINC000475484128 946397296 /nfs/dbraw/zinc/39/72/96/946397296.db2.gz CPRMFRBPRCPKKY-UHFFFAOYSA-N 1 0 361.829 3.860 20 5 FHBDRO COc1ccc(-c2ccc(C[N@H+](CCCCO)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000093383195 946410805 /nfs/dbraw/zinc/41/08/05/946410805.db2.gz AAZIKNNXYZFMNH-UHFFFAOYSA-N 1 0 360.410 3.600 20 5 FHBDRO Cc1cccc(CC2(O)CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000475489770 946423049 /nfs/dbraw/zinc/42/30/49/946423049.db2.gz VQMZKQCFLZIEFK-WEVVVXLNSA-N 1 0 366.461 3.986 20 5 FHBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000475129442 946434653 /nfs/dbraw/zinc/43/46/53/946434653.db2.gz QGLUBFRCPMXTNW-LJQANCHMSA-N 1 0 360.410 3.600 20 5 FHBDRO Cc1nc2c(s1)[C@H](N(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CCC2 ZINC000111312257 946437387 /nfs/dbraw/zinc/43/73/87/946437387.db2.gz HOVMWLUMEZITTC-MRXNPFEDSA-N 1 0 374.466 3.616 20 5 FHBDRO CCOc1cc(N2CC[NH+](Cc3ccc(C)s3)CC2)ccc1[N+](=O)[O-] ZINC000475498512 946458868 /nfs/dbraw/zinc/45/88/68/946458868.db2.gz VGXYKEBYTGUVQI-UHFFFAOYSA-N 1 0 361.467 3.686 20 5 FHBDRO COc1ccc2c(c1)nc(C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])n2C ZINC000186531077 946506184 /nfs/dbraw/zinc/50/61/84/946506184.db2.gz JWVBZALZVMCETP-CQSZACIVSA-N 1 0 368.437 3.601 20 5 FHBDRO CC(C)c1ccc(C[NH2+][C@H](C)C(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000475516126 946570264 /nfs/dbraw/zinc/57/02/64/946570264.db2.gz JEWWQICPJVUHNW-OAHLLOKOSA-N 1 0 367.449 3.739 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2noc(CN3Cc4ccccc4C4(CC4)C3)n2)c1 ZINC000186225004 946627888 /nfs/dbraw/zinc/62/78/88/946627888.db2.gz QKFQIDXHHSFILW-UHFFFAOYSA-N 1 0 362.389 3.692 20 5 FHBDRO C[NH+](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC000549572563 946697214 /nfs/dbraw/zinc/69/72/14/946697214.db2.gz ZFEWIUSBBROTBF-UHFFFAOYSA-N 1 0 367.327 3.928 20 5 FHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1ccccc1F ZINC000475572825 946713396 /nfs/dbraw/zinc/71/33/96/946713396.db2.gz KIESABOEWDRINK-CQSZACIVSA-N 1 0 359.401 3.673 20 5 FHBDRO C[C@]1(c2ccccc2)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000438505721 946887056 /nfs/dbraw/zinc/88/70/56/946887056.db2.gz NYJWIWSUNIOFEZ-FQEVSTJZSA-N 1 0 353.422 3.587 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C\CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000475336232 946902248 /nfs/dbraw/zinc/90/22/48/946902248.db2.gz UCSJJSDZQDZMEZ-WRZRBREKSA-N 1 0 363.461 3.672 20 5 FHBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@](C)(O)CC3)o2)c([N+](=O)[O-])c1 ZINC000475344597 946915057 /nfs/dbraw/zinc/91/50/57/946915057.db2.gz XAODSUMFTZPLEI-IBGZPJMESA-N 1 0 360.410 3.600 20 5 FHBDRO COc1cccc(N2CCC[N@H+](CCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000475431008 947080502 /nfs/dbraw/zinc/08/05/02/947080502.db2.gz YTFOEEGWKPJSOF-UHFFFAOYSA-N 1 0 369.465 3.748 20 5 FHBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)CC2(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000444670277 947095412 /nfs/dbraw/zinc/09/54/12/947095412.db2.gz GKYJOTZBXOAXRL-INIZCTEOSA-N 1 0 367.449 3.894 20 5 FHBDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000441431944 947157224 /nfs/dbraw/zinc/15/72/24/947157224.db2.gz DSQNGUYJOCXXCJ-FQEVSTJZSA-N 1 0 355.438 3.877 20 5 FHBDRO Cc1c(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000074448264 947170729 /nfs/dbraw/zinc/17/07/29/947170729.db2.gz WYCFXMPJSDSISO-GOSISDBHSA-N 1 0 367.449 3.640 20 5 FHBDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c2ccc(F)cc2C1 ZINC000184527873 947297884 /nfs/dbraw/zinc/29/78/84/947297884.db2.gz BQBCCKHPRKHMTJ-RBZFPXEDSA-N 1 0 371.412 3.878 20 5 FHBDRO C[NH+](C)C1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000523485291 947301989 /nfs/dbraw/zinc/30/19/89/947301989.db2.gz PSXVKCCIABXGFN-UHFFFAOYSA-N 1 0 361.486 3.643 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000523537118 947347019 /nfs/dbraw/zinc/34/70/19/947347019.db2.gz ANMRGTNLJZQWPQ-UHFFFAOYSA-N 1 0 353.422 3.646 20 5 FHBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000150781193 947540834 /nfs/dbraw/zinc/54/08/34/947540834.db2.gz ZVILIDPPHKKONY-YOEHRIQHSA-N 1 0 371.412 3.517 20 5 FHBDRO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000072837914 947570081 /nfs/dbraw/zinc/57/00/81/947570081.db2.gz SIKSWPLBCHTDJV-QWHCGFSZSA-N 1 0 371.890 3.793 20 5 FHBDRO CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000072837921 947570329 /nfs/dbraw/zinc/57/03/29/947570329.db2.gz SIKSWPLBCHTDJV-OLZOCXBDSA-N 1 0 371.890 3.793 20 5 FHBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCc1ccccc1 ZINC000053047725 947989912 /nfs/dbraw/zinc/98/99/12/947989912.db2.gz YYRQLCUDCZRGLX-CYBMUJFWSA-N 1 0 361.829 3.750 20 5 FHBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001167808568 948002486 /nfs/dbraw/zinc/00/24/86/948002486.db2.gz SAUBNMNBVIFGOA-HNNXBMFYSA-N 1 0 369.421 3.601 20 5 FHBDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000184666455 948119042 /nfs/dbraw/zinc/11/90/42/948119042.db2.gz SMYIOLHPHPIAAX-NJZAAPMLSA-N 1 0 354.834 3.706 20 5 FHBDRO C[NH+](C)[C@@H](CNc1ccnc2c1cccc2[N+](=O)[O-])c1cccc(F)c1 ZINC000432332395 948120058 /nfs/dbraw/zinc/12/00/58/948120058.db2.gz XKNPXECQBXIEDI-SFHVURJKSA-N 1 0 354.385 3.997 20 5 FHBDRO C[C@@H]1C[NH+](CC2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000432336350 948148850 /nfs/dbraw/zinc/14/88/50/948148850.db2.gz MYNLSPBYBLWDQS-ZIAGYGMSSA-N 1 0 367.877 3.574 20 5 FHBDRO O=[N+]([O-])c1cccc2c(N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccnc21 ZINC000432341331 948165093 /nfs/dbraw/zinc/16/50/93/948165093.db2.gz WGMIKDAXUBKGHF-YOEHRIQHSA-N 1 0 352.438 3.596 20 5 FHBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000184701396 948224337 /nfs/dbraw/zinc/22/43/37/948224337.db2.gz RBBZLZHHSYAXFE-INIZCTEOSA-N 1 0 361.486 3.543 20 5 FHBDRO COc1cc2c(cc1OC)CC[NH+](Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000512040351 948271899 /nfs/dbraw/zinc/27/18/99/948271899.db2.gz PQFUWDCOPHTGOH-UHFFFAOYSA-N 1 0 356.422 3.521 20 5 FHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000512122401 948479211 /nfs/dbraw/zinc/47/92/11/948479211.db2.gz LMRHMHBXTGSWSA-ZIAGYGMSSA-N 1 0 365.499 3.508 20 5 FHBDRO Cc1c(C[N@H+](C)CCc2nc(-c3ccccc3)no2)cccc1[N+](=O)[O-] ZINC000512151975 948563069 /nfs/dbraw/zinc/56/30/69/948563069.db2.gz JQPCOPGWGKKPPQ-UHFFFAOYSA-N 1 0 352.394 3.628 20 5 FHBDRO COc1ccc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000512182458 948706177 /nfs/dbraw/zinc/70/61/77/948706177.db2.gz SHAGMLVOVHCWFU-FUHWJXTLSA-N 1 0 361.486 3.690 20 5 FHBDRO Cc1csc(NC(=O)C2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000054236163 221051647 /nfs/dbraw/zinc/05/16/47/221051647.db2.gz CWZRUFDTNGXVBW-UHFFFAOYSA-N 1 0 374.466 3.519 20 5 FHBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000541833878 567929258 /nfs/dbraw/zinc/92/92/58/567929258.db2.gz SHBKRQPOKZWLPO-CYBMUJFWSA-N 1 0 374.416 3.985 20 5 FHBDRO C[C@@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC[C@@H]1[NH3+] ZINC000568149398 567942476 /nfs/dbraw/zinc/94/24/76/567942476.db2.gz KZKVYKCVHGOUPL-ACJLOTCBSA-N 1 0 371.462 3.555 20 5 FHBDRO CCC[C@@H]([NH2+]C[C@@H](O)COc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000481537966 568038777 /nfs/dbraw/zinc/03/87/77/568038777.db2.gz VWZYCWXQCJMRRJ-UYAOXDASSA-N 1 0 358.438 3.774 20 5 FHBDRO CCSCC[C@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072900950 568056836 /nfs/dbraw/zinc/05/68/36/568056836.db2.gz RYTSVLJFMRVTMV-NSHDSACASA-N 1 0 359.879 3.650 20 5 FHBDRO CC(C)(CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C[NH+]1CCCC1 ZINC000481583473 568063616 /nfs/dbraw/zinc/06/36/16/568063616.db2.gz XBGIYIMTNGKSFM-UHFFFAOYSA-N 1 0 361.467 3.661 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(N2CCN([C@@H](C)c3ccccc3Cl)CC2)n1 ZINC000481677040 568085601 /nfs/dbraw/zinc/08/56/01/568085601.db2.gz KBCAWMPJEIBJLA-AWEZNQCLSA-N 1 0 360.845 3.835 20 5 FHBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000389114158 568213788 /nfs/dbraw/zinc/21/37/88/568213788.db2.gz LUJYJCLWKOYFSR-PMACEKPBSA-N 1 0 351.450 3.549 20 5 FHBDRO CC(C)C[C@@H](CCO)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000072924392 568217792 /nfs/dbraw/zinc/21/77/92/568217792.db2.gz OLZYJFHHRNGAID-CQSZACIVSA-N 1 0 363.483 3.853 20 5 FHBDRO Cc1cc2[nH]c(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc2c(C)c1 ZINC000482006406 568226381 /nfs/dbraw/zinc/22/63/81/568226381.db2.gz HLVGAZIZETYYJT-HNNXBMFYSA-N 1 0 365.437 3.774 20 5 FHBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[NH+](C2CCCCC2)CC1 ZINC000482054017 568246290 /nfs/dbraw/zinc/24/62/90/568246290.db2.gz HWQQAVVOYQBDJD-UHFFFAOYSA-N 1 0 373.478 3.900 20 5 FHBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(CC)CC ZINC000482135159 568276968 /nfs/dbraw/zinc/27/69/68/568276968.db2.gz MUOUGNYBOFIXHD-JKSUJKDBSA-N 1 0 374.441 3.718 20 5 FHBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000569155860 568300091 /nfs/dbraw/zinc/30/00/91/568300091.db2.gz MITYEKJPTBALHD-KDOFPFPSSA-N 1 0 372.494 3.777 20 5 FHBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C(c1ccccc1)c1ccccc1 ZINC000569181448 568305003 /nfs/dbraw/zinc/30/50/03/568305003.db2.gz KATXNSTWRHRRAN-UHFFFAOYSA-N 1 0 350.422 3.903 20 5 FHBDRO CSc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)[NH+](C)C)cc1 ZINC000569285319 568333453 /nfs/dbraw/zinc/33/34/53/568333453.db2.gz IKQHQBWFJQKTJR-GOSISDBHSA-N 1 0 373.478 3.658 20 5 FHBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000569741553 568417274 /nfs/dbraw/zinc/41/72/74/568417274.db2.gz PSLXFCPSTNLPGG-CVEARBPZSA-N 1 0 355.438 3.913 20 5 FHBDRO COc1ncccc1CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000569771870 568422889 /nfs/dbraw/zinc/42/28/89/568422889.db2.gz DMAYMILCWCSAHD-SJLPKXTDSA-N 1 0 355.438 3.542 20 5 FHBDRO COCCN(C)CC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482242790 568518288 /nfs/dbraw/zinc/51/82/88/568518288.db2.gz LTZQKETXFDPKBW-AWEZNQCLSA-N 1 0 363.483 3.552 20 5 FHBDRO C[C@@H]([NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1[N+](=O)[O-] ZINC000824547255 608526260 /nfs/dbraw/zinc/52/62/60/608526260.db2.gz NPPJGCPUVAEZEM-PXAZEXFGSA-N 1 0 364.409 3.503 20 5 FHBDRO CC[C@H]([NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000825142550 609251647 /nfs/dbraw/zinc/25/16/47/609251647.db2.gz SPKXZKWGFTWFBH-KRWDZBQOSA-N 1 0 364.409 3.505 20 5 FHBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000825143615 609339081 /nfs/dbraw/zinc/33/90/81/609339081.db2.gz WYHSJPTXGGZNAA-PIGZYNQJSA-N 1 0 370.388 3.716 20 5 FHBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000825143613 609339207 /nfs/dbraw/zinc/33/92/07/609339207.db2.gz WYHSJPTXGGZNAA-GTNSWQLSSA-N 1 0 370.388 3.716 20 5 FHBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[NH+](C2CCCC2)CC1 ZINC001165028757 721855249 /nfs/dbraw/zinc/85/52/49/721855249.db2.gz QATSBLVXPCTKKF-UHFFFAOYSA-N 1 0 360.845 3.861 20 5 FHBDRO O=[N+]([O-])c1ccc2ccnc(N3CCCC[C@H]3CC[NH+]3CCCC3)c2c1 ZINC001165046610 721974655 /nfs/dbraw/zinc/97/46/55/721974655.db2.gz BAKUASQPKJQQSC-KRWDZBQOSA-N 1 0 354.454 3.988 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000178729657 936326656 /nfs/dbraw/zinc/32/66/56/936326656.db2.gz ZXFPNQBANVQGOQ-CQSZACIVSA-N 1 0 352.394 3.640 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000278004943 936352191 /nfs/dbraw/zinc/35/21/91/936352191.db2.gz OPUMRSGTOJSCTC-UHFFFAOYSA-N 1 0 365.861 3.693 20 5 FHBDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000430141012 927212568 /nfs/dbraw/zinc/21/25/68/927212568.db2.gz WBCNAFISYIVQHF-AAEUAGOBSA-N 1 0 350.802 3.853 20 5 FHBDRO C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@@H](c1ccccc1)[NH+](C)C ZINC000557674261 927321731 /nfs/dbraw/zinc/32/17/31/927321731.db2.gz PIXPNDQUBXOZGS-NHYWBVRUSA-N 1 0 357.439 3.703 20 5 FHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186944696 927598879 /nfs/dbraw/zinc/59/88/79/927598879.db2.gz IEEHFOQCGKQIAX-HNNXBMFYSA-N 1 0 358.413 3.865 20 5 FHBDRO CSc1cccc(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000186969478 927686200 /nfs/dbraw/zinc/68/62/00/927686200.db2.gz BYPXNQJXXSZAPX-CQSZACIVSA-N 1 0 373.478 3.567 20 5 FHBDRO C[N@@H+](Cc1cc(Br)cs1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136944313 927701113 /nfs/dbraw/zinc/70/11/13/927701113.db2.gz AFJRWEVKQNRMMZ-AWEZNQCLSA-N 1 0 371.256 3.584 20 5 FHBDRO C[C@H]1C[C@@H](CCNC(=O)c2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000510083413 927939010 /nfs/dbraw/zinc/93/90/10/927939010.db2.gz HRBWTPGIMDQVAC-FUHWJXTLSA-N 1 0 367.449 3.625 20 5 FHBDRO C[C@@H]1C[C@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000510084870 927945506 /nfs/dbraw/zinc/94/55/06/927945506.db2.gz GQYJLGVIELKJPQ-AEFFLSMTSA-N 1 0 367.449 3.625 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000430222601 928266968 /nfs/dbraw/zinc/26/69/68/928266968.db2.gz DOFVQQMGCQWGPY-KRWDZBQOSA-N 1 0 361.486 3.547 20 5 FHBDRO Cc1cc(Cl)nc(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)c1[N+](=O)[O-] ZINC001167083942 928775112 /nfs/dbraw/zinc/77/51/12/928775112.db2.gz GDWDMBMUWHKMSA-UHFFFAOYSA-N 1 0 360.776 3.680 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000133752572 928946214 /nfs/dbraw/zinc/94/62/14/928946214.db2.gz DETRMDIZENPYQQ-QZTJIDSGSA-N 1 0 353.422 3.768 20 5 FHBDRO CC[NH+](CC)Cc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)o1 ZINC000609140970 929002603 /nfs/dbraw/zinc/00/26/03/929002603.db2.gz FOALFLONTGWCGW-CYBMUJFWSA-N 1 0 357.410 3.621 20 5 FHBDRO Cc1ccc(C(=O)OCC2CC[NH+](Cc3ccco3)CC2)cc1[N+](=O)[O-] ZINC000120611415 929094351 /nfs/dbraw/zinc/09/43/51/929094351.db2.gz SNJXNRQNOZYCNQ-UHFFFAOYSA-N 1 0 358.394 3.565 20 5 FHBDRO CCC[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000165133215 929148628 /nfs/dbraw/zinc/14/86/28/929148628.db2.gz VJYUNJBUHTVEAH-HXUWFJFHSA-N 1 0 369.465 3.970 20 5 FHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430294685 929355416 /nfs/dbraw/zinc/35/54/16/929355416.db2.gz BLFKUKXVPKGCQL-CVEARBPZSA-N 1 0 353.422 3.641 20 5 FHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000187209676 929538884 /nfs/dbraw/zinc/53/88/84/929538884.db2.gz FTIDXCCIFSLRCO-FZKQIMNGSA-N 1 0 373.478 3.738 20 5 FHBDRO NC(=O)c1ccc(C[NH2+]C2(c3ccccc3)CCCCC2)c([N+](=O)[O-])c1 ZINC000134033570 929679585 /nfs/dbraw/zinc/67/95/85/929679585.db2.gz ZJKZJNFRMDGWHT-UHFFFAOYSA-N 1 0 353.422 3.643 20 5 FHBDRO Cc1cc(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000471460891 929747972 /nfs/dbraw/zinc/74/79/72/929747972.db2.gz UTURQMSPFVEFKJ-INIZCTEOSA-N 1 0 355.438 3.544 20 5 FHBDRO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610004461 929772324 /nfs/dbraw/zinc/77/23/24/929772324.db2.gz LHYSZWHJOSJHSF-KRWDZBQOSA-N 1 0 356.397 3.871 20 5 FHBDRO CC[C@@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176699424 937379622 /nfs/dbraw/zinc/37/96/22/937379622.db2.gz DRGHPTAWORZLPG-IEBWSBKVSA-N 1 0 374.485 3.706 20 5 FHBDRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@@H+]1C ZINC000275754772 930155927 /nfs/dbraw/zinc/15/59/27/930155927.db2.gz JQQYDDBAJCRGHN-GDBMZVCRSA-N 1 0 363.461 3.648 20 5 FHBDRO COc1ccc(OCCN2CCc3cc(F)ccc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC000610369817 930172637 /nfs/dbraw/zinc/17/26/37/930172637.db2.gz JCNHKPXZAMLADN-ZDUSSCGKSA-N 1 0 360.385 3.741 20 5 FHBDRO CN(C)c1ccccc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000610371191 930175156 /nfs/dbraw/zinc/17/51/56/930175156.db2.gz UQRWZIRMVKXWIE-UHFFFAOYSA-N 1 0 355.438 3.704 20 5 FHBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1cc(C)nc(OC)c1 ZINC001210780931 930282751 /nfs/dbraw/zinc/28/27/51/930282751.db2.gz SZAIIVNFQGXZTL-UHFFFAOYSA-N 1 0 374.444 3.956 20 5 FHBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275820306 930473948 /nfs/dbraw/zinc/47/39/48/930473948.db2.gz SDYJHMYGHSCXDB-INIZCTEOSA-N 1 0 363.461 3.650 20 5 FHBDRO CSc1ccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000471556913 930494083 /nfs/dbraw/zinc/49/40/83/930494083.db2.gz SDUFLZYCOSSFED-ACJLOTCBSA-N 1 0 373.478 3.738 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000275847378 930536364 /nfs/dbraw/zinc/53/63/64/930536364.db2.gz HRFSHIFBFILFCE-UHFFFAOYSA-N 1 0 353.850 3.501 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1ccccc1OC(F)F ZINC000471560559 930538483 /nfs/dbraw/zinc/53/84/83/930538483.db2.gz XZVIZZBAMJTMMV-UHFFFAOYSA-N 1 0 366.364 3.927 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccncc21 ZINC000046341265 930638562 /nfs/dbraw/zinc/63/85/62/930638562.db2.gz TWIHPRDCHPBMTH-QPJJXVBHSA-N 1 0 374.444 3.978 20 5 FHBDRO Cc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000610445637 930808712 /nfs/dbraw/zinc/80/87/12/930808712.db2.gz AHGPHUXVPDKYGX-KRWDZBQOSA-N 1 0 367.449 3.640 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000610446414 930818311 /nfs/dbraw/zinc/81/83/11/930818311.db2.gz XXRJZMNYFALSJQ-QGZVFWFLSA-N 1 0 367.449 3.640 20 5 FHBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000261900830 930891736 /nfs/dbraw/zinc/89/17/36/930891736.db2.gz WOQLTRAPJWWICJ-UONOGXRCSA-N 1 0 371.462 3.555 20 5 FHBDRO CC[N@H+](C)Cc1cccc(CNc2ncnc3sc([N+](=O)[O-])cc32)c1 ZINC000561154030 930999853 /nfs/dbraw/zinc/99/98/53/930999853.db2.gz NTQGSMUMOQIVBV-UHFFFAOYSA-N 1 0 357.439 3.663 20 5 FHBDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000610475797 931545542 /nfs/dbraw/zinc/54/55/42/931545542.db2.gz MMWCBRGZDNFWCR-INIZCTEOSA-N 1 0 368.437 3.723 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCCO[C@H](c2ccccc2)C1 ZINC000610476739 931558205 /nfs/dbraw/zinc/55/82/05/931558205.db2.gz ZIUMYVSWFWZOQJ-FQEVSTJZSA-N 1 0 356.422 3.957 20 5 FHBDRO CC(C)Oc1ccc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000581171250 931638338 /nfs/dbraw/zinc/63/83/38/931638338.db2.gz SPUZQBXAAXPTGQ-RBUKOAKNSA-N 1 0 372.469 3.895 20 5 FHBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000610281769 931946175 /nfs/dbraw/zinc/94/61/75/931946175.db2.gz JMVWPFBZJXLZRQ-LJQANCHMSA-N 1 0 362.433 3.854 20 5 FHBDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)CCS2 ZINC000276169293 931966236 /nfs/dbraw/zinc/96/62/36/931966236.db2.gz SHHUKBGUBZTYCL-OAHLLOKOSA-N 1 0 360.435 3.939 20 5 FHBDRO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000135189780 932042269 /nfs/dbraw/zinc/04/22/69/932042269.db2.gz AZSIWLKPXSSRIQ-QGZVFWFLSA-N 1 0 371.481 3.740 20 5 FHBDRO CC(C)OC1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000090771469 932072331 /nfs/dbraw/zinc/07/23/31/932072331.db2.gz KOFOJVHNWABZKD-SYJJWHGVSA-N 1 0 363.458 3.638 20 5 FHBDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc([N+](=O)[O-])c(F)c3)ccc2NC1=O ZINC000276312099 932173296 /nfs/dbraw/zinc/17/32/96/932173296.db2.gz MNZWSPMKDNMCKO-PIGZYNQJSA-N 1 0 373.384 3.694 20 5 FHBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000276350364 932237101 /nfs/dbraw/zinc/23/71/01/932237101.db2.gz WDKOIHJCKCIJEP-LBPRGKRZSA-N 1 0 359.357 3.541 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000276426588 932386538 /nfs/dbraw/zinc/38/65/38/932386538.db2.gz OSQRDJILPLVLBZ-UHFFFAOYSA-N 1 0 360.458 3.694 20 5 FHBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000022610890 932585599 /nfs/dbraw/zinc/58/55/99/932585599.db2.gz GMFKSIVCSCHHCN-UHFFFAOYSA-N 1 0 373.840 3.596 20 5 FHBDRO Cc1c(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000247367688 932611103 /nfs/dbraw/zinc/61/11/03/932611103.db2.gz KODLQUZKRXPLOA-RDTXWAMCSA-N 1 0 373.478 3.778 20 5 FHBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000477516019 932665589 /nfs/dbraw/zinc/66/55/89/932665589.db2.gz XZGLGQHYBUWZIA-KRWDZBQOSA-N 1 0 356.378 3.539 20 5 FHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000023196834 932757680 /nfs/dbraw/zinc/75/76/80/932757680.db2.gz KERSDJZBCYQVHW-LJQANCHMSA-N 1 0 369.465 3.586 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510471362 932800426 /nfs/dbraw/zinc/80/04/26/932800426.db2.gz LAKZRLUVFJZXLK-GOSISDBHSA-N 1 0 366.421 3.790 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)C1CC1 ZINC000178204305 932873183 /nfs/dbraw/zinc/87/31/83/932873183.db2.gz IJJNEDLVNVRKNK-GOSISDBHSA-N 1 0 368.433 3.519 20 5 FHBDRO CC(C)Oc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000178206710 932879904 /nfs/dbraw/zinc/87/99/04/932879904.db2.gz HPRCUEFRMUVHEA-AWEZNQCLSA-N 1 0 357.410 3.671 20 5 FHBDRO O=C(C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000178206686 932880231 /nfs/dbraw/zinc/88/02/31/932880231.db2.gz IXZNUFPXKXBYNY-IAGOWNOFSA-N 1 0 353.422 3.534 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000178221675 932911320 /nfs/dbraw/zinc/91/13/20/932911320.db2.gz DFWGKYAYSJLTRU-AYHJJNSGSA-N 1 0 352.438 3.906 20 5 FHBDRO Cn1cc(CNc2cccc(C[NH+](C)C)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000156522036 933095202 /nfs/dbraw/zinc/09/52/02/933095202.db2.gz ORLSDJBUCJWMID-UHFFFAOYSA-N 1 0 365.437 3.669 20 5 FHBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000588444445 933101684 /nfs/dbraw/zinc/10/16/84/933101684.db2.gz SHTYHBLBEHEIGX-ICFOKQHNSA-N 1 0 359.470 3.626 20 5 FHBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000588445359 933114167 /nfs/dbraw/zinc/11/41/67/933114167.db2.gz DUHDUVPVKJCXCF-PEZBUJJGSA-N 1 0 371.481 3.769 20 5 FHBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1)[NH+](C)C ZINC000510527867 933188440 /nfs/dbraw/zinc/18/84/40/933188440.db2.gz VBRWJRXAEYWKLB-HNAYVOBHSA-N 1 0 355.438 3.633 20 5 FHBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1)[NH+](C)C ZINC000510527865 933188499 /nfs/dbraw/zinc/18/84/99/933188499.db2.gz VBRWJRXAEYWKLB-BEFAXECRSA-N 1 0 355.438 3.633 20 5 FHBDRO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000610582659 933335538 /nfs/dbraw/zinc/33/55/38/933335538.db2.gz ILRJHZUTSFKOMY-MORSLUCNSA-N 1 0 359.426 3.762 20 5 FHBDRO CCc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000471903076 933583630 /nfs/dbraw/zinc/58/36/30/933583630.db2.gz YYOYVGDERAEFNP-UHFFFAOYSA-N 1 0 373.428 3.500 20 5 FHBDRO Cn1cc(C[NH2+]CC(C)(C)[C@H]2CCCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000610717460 933930689 /nfs/dbraw/zinc/93/06/89/933930689.db2.gz WIBUSVKPTMFOCR-GOSISDBHSA-N 1 0 372.469 3.680 20 5 FHBDRO Cc1c(NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000431249854 934250037 /nfs/dbraw/zinc/25/00/37/934250037.db2.gz UYOLBLYURDQBDW-VXGBXAGGSA-N 1 0 373.375 3.751 20 5 FHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458212035 934381629 /nfs/dbraw/zinc/38/16/29/934381629.db2.gz LPEWTRXDBUBDBG-CQSZACIVSA-N 1 0 365.499 3.557 20 5 FHBDRO COc1cccc2c1OC[C@@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C2 ZINC000610809832 934454051 /nfs/dbraw/zinc/45/40/51/934454051.db2.gz QXFJSTNBCHCFQI-ZWKOTPCHSA-N 1 0 368.433 3.518 20 5 FHBDRO Cc1noc(C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000277042877 934464365 /nfs/dbraw/zinc/46/43/65/934464365.db2.gz GIEVAVFYVUSEJD-UGSOOPFHSA-N 1 0 352.394 3.921 20 5 FHBDRO CCc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)cc1[N+](=O)[O-] ZINC000472007718 934820298 /nfs/dbraw/zinc/82/02/98/934820298.db2.gz FRRLNGMMLJQIDH-KRWDZBQOSA-N 1 0 359.426 3.563 20 5 FHBDRO COc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(SC)cc1OC ZINC000327479881 934860221 /nfs/dbraw/zinc/86/02/21/934860221.db2.gz DLZIUZFAEIYSHD-UHFFFAOYSA-N 1 0 362.451 3.932 20 5 FHBDRO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000119654415 934985880 /nfs/dbraw/zinc/98/58/80/934985880.db2.gz LQMKOXFHULRLBE-RDJZCZTQSA-N 1 0 355.438 3.841 20 5 FHBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000539049191 934999328 /nfs/dbraw/zinc/99/93/28/934999328.db2.gz LREOVGRDTHVTGZ-ZMUPPCTCSA-N 1 0 368.477 3.888 20 5 FHBDRO CC[C@H]([NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000511051623 935092973 /nfs/dbraw/zinc/09/29/73/935092973.db2.gz RXSXKNDPBUACPO-HKUYNNGSSA-N 1 0 368.437 3.942 20 5 FHBDRO CC(C)[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000539216168 935092984 /nfs/dbraw/zinc/09/29/84/935092984.db2.gz GMHRKCJZSRWJTH-SFHVURJKSA-N 1 0 371.393 3.807 20 5 FHBDRO COc1cc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000426526464 945081240 /nfs/dbraw/zinc/08/12/40/945081240.db2.gz SYTSXBMVNQLWHP-WCQYABFASA-N 1 0 356.369 3.622 20 5 FHBDRO CCC[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000178526536 935188081 /nfs/dbraw/zinc/18/80/81/935188081.db2.gz YHHFCVHWYCDXMC-SFHVURJKSA-N 1 0 371.485 3.976 20 5 FHBDRO CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@@H](C[NH3+])C1CC1 ZINC000582069641 935204713 /nfs/dbraw/zinc/20/47/13/935204713.db2.gz JYAQGIXOTYBPHX-SFHVURJKSA-N 1 0 371.462 3.555 20 5 FHBDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000381200608 935258888 /nfs/dbraw/zinc/25/88/88/935258888.db2.gz OVAWZDAZASICLC-GFCCVEGCSA-N 1 0 357.439 3.532 20 5 FHBDRO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000072089559 935298330 /nfs/dbraw/zinc/29/83/30/935298330.db2.gz WNYWQJROWGSFBJ-JTQLQIEISA-N 1 0 363.767 3.942 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000511079991 935303646 /nfs/dbraw/zinc/30/36/46/935303646.db2.gz LYLQIFDKPDNYSY-UHFFFAOYSA-N 1 0 367.449 3.819 20 5 FHBDRO CCC[NH+]1CCC(CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000563263344 935326134 /nfs/dbraw/zinc/32/61/34/935326134.db2.gz DFPRLPQJMBKTPY-INIZCTEOSA-N 1 0 359.392 3.910 20 5 FHBDRO CC[C@@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1cccc([N+](=O)[O-])c1 ZINC000119996260 935426852 /nfs/dbraw/zinc/42/68/52/935426852.db2.gz NCZSNHDORIIZOO-WMLDXEAASA-N 1 0 360.845 3.963 20 5 FHBDRO C[NH+](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000437186314 945101913 /nfs/dbraw/zinc/10/19/13/945101913.db2.gz BKBOHDUWEYDMBV-UHFFFAOYSA-N 1 0 367.327 3.928 20 5 FHBDRO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CCN1Cc1ccccc1 ZINC000540536684 935490556 /nfs/dbraw/zinc/49/05/56/935490556.db2.gz CKGCBJZXAYWHHJ-MRXNPFEDSA-N 1 0 373.478 3.783 20 5 FHBDRO C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000158132556 935588638 /nfs/dbraw/zinc/58/86/38/935588638.db2.gz MNGJMYBUVPIAGY-SJKOYZFVSA-N 1 0 364.492 3.842 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000127596584 935652207 /nfs/dbraw/zinc/65/22/07/935652207.db2.gz DYPSAYDWHSTQMK-QGZVFWFLSA-N 1 0 374.416 3.775 20 5 FHBDRO Cc1cc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000023554695 935673434 /nfs/dbraw/zinc/67/34/34/935673434.db2.gz PUYPUFFRSDREMF-INIZCTEOSA-N 1 0 359.451 3.532 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)nc2c1 ZINC000375707470 935731627 /nfs/dbraw/zinc/73/16/27/935731627.db2.gz MQSPVMKJRNRBJY-DZGCQCFKSA-N 1 0 351.410 3.682 20 5 FHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000511788845 945120071 /nfs/dbraw/zinc/12/00/71/945120071.db2.gz RYLGLTDGOPIGBI-IBGZPJMESA-N 1 0 367.449 3.625 20 5 FHBDRO C[C@@H](c1nc(-c2ccccc2)no1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511141454 935781036 /nfs/dbraw/zinc/78/10/36/935781036.db2.gz MGFWQMXMFZFSKI-AWEZNQCLSA-N 1 0 352.394 3.880 20 5 FHBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000479320101 935827007 /nfs/dbraw/zinc/82/70/07/935827007.db2.gz PEHPCBMZURLWOM-UHFFFAOYSA-N 1 0 371.485 3.964 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000158562852 935839608 /nfs/dbraw/zinc/83/96/08/935839608.db2.gz LJTUCBOGWHJXFE-YJBOKZPZSA-N 1 0 372.469 3.692 20 5 FHBDRO Cc1cc(F)cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000176683509 935843944 /nfs/dbraw/zinc/84/39/44/935843944.db2.gz IYEZKKZRIOHVPW-GOSISDBHSA-N 1 0 371.412 3.609 20 5 FHBDRO Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000092783951 935921706 /nfs/dbraw/zinc/92/17/06/935921706.db2.gz IPVWIBOSYIUJKH-GOSISDBHSA-N 1 0 367.449 3.545 20 5 FHBDRO CC(C)[NH+]1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000075606233 936013076 /nfs/dbraw/zinc/01/30/76/936013076.db2.gz LWMXFGIAWWVERL-UHFFFAOYSA-N 1 0 351.756 3.797 20 5 FHBDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000178661555 936092520 /nfs/dbraw/zinc/09/25/20/936092520.db2.gz HSMCQNVKEPPSRT-ZBFHGGJFSA-N 1 0 371.437 3.542 20 5 FHBDRO Cc1ccccc1CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680481 936173032 /nfs/dbraw/zinc/17/30/32/936173032.db2.gz PLIOJUOOMDMHBZ-IAGOWNOFSA-N 1 0 369.465 3.610 20 5 FHBDRO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178688516 936210644 /nfs/dbraw/zinc/21/06/44/936210644.db2.gz WDFCCNBAHCZIPT-GJZGRUSLSA-N 1 0 371.437 3.980 20 5 FHBDRO COc1cccc2c1CC[C@@H]2[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000121968612 936218297 /nfs/dbraw/zinc/21/82/97/936218297.db2.gz MVBHWVIWBGGPHS-FQEVSTJZSA-N 1 0 367.449 3.849 20 5 FHBDRO CN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000582933404 936305291 /nfs/dbraw/zinc/30/52/91/936305291.db2.gz FMALSSIAVJMMMO-ROUUACIJSA-N 1 0 363.820 3.922 20 5 FHBDRO CCC([NH3+])(CC)CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000583439739 938254831 /nfs/dbraw/zinc/25/48/31/938254831.db2.gz MFHLPQGXUIRURF-UHFFFAOYSA-N 1 0 373.478 3.993 20 5 FHBDRO CN(CC[NH+]1CCCC1)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000728568953 938281154 /nfs/dbraw/zinc/28/11/54/938281154.db2.gz BPQVMOTVUFGPIO-UHFFFAOYSA-N 1 0 351.756 3.799 20 5 FHBDRO Cc1c(C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)cccc1[N+](=O)[O-] ZINC000536069090 938302560 /nfs/dbraw/zinc/30/25/60/938302560.db2.gz SSVVTCOKMSPCJF-KRWDZBQOSA-N 1 0 350.422 3.918 20 5 FHBDRO Cc1cc(F)cc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000176785101 938302863 /nfs/dbraw/zinc/30/28/63/938302863.db2.gz DKSGUFZGCJVXMV-CHWSQXEVSA-N 1 0 365.449 3.529 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000245858155 938318302 /nfs/dbraw/zinc/31/83/02/938318302.db2.gz PIWUYWLBSGDVHY-RHSMWYFYSA-N 1 0 361.442 3.587 20 5 FHBDRO Cc1c([C@H](C)[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)cccc1[N+](=O)[O-] ZINC000161811672 938343284 /nfs/dbraw/zinc/34/32/84/938343284.db2.gz SWCBMHJCEOOLRB-XJKSGUPXSA-N 1 0 363.458 3.857 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000583829075 938434576 /nfs/dbraw/zinc/43/45/76/938434576.db2.gz JWKUJRPFLZJBND-OAHLLOKOSA-N 1 0 371.437 3.980 20 5 FHBDRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000161929382 938463424 /nfs/dbraw/zinc/46/34/24/938463424.db2.gz OERCMBJJHAMGRN-INIZCTEOSA-N 1 0 355.438 3.603 20 5 FHBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000511810472 945180144 /nfs/dbraw/zinc/18/01/44/945180144.db2.gz XIVIEDWAQCJKPC-MRXNPFEDSA-N 1 0 373.478 3.687 20 5 FHBDRO C[NH+](C)Cc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000047452699 945183702 /nfs/dbraw/zinc/18/37/02/945183702.db2.gz GTKHJWMZIQIGSF-UHFFFAOYSA-N 1 0 368.437 3.509 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCCc1ccccc1 ZINC000052802804 938595024 /nfs/dbraw/zinc/59/50/24/938595024.db2.gz SIMSGKRLLJBIAX-UHFFFAOYSA-N 1 0 355.438 3.796 20 5 FHBDRO CC[NH+](CC)CC(=O)Nc1cccc(NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000584195237 938636150 /nfs/dbraw/zinc/63/61/50/938636150.db2.gz SEGJHSMBDNACQG-UHFFFAOYSA-N 1 0 370.453 3.796 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278684310 938648748 /nfs/dbraw/zinc/64/87/48/938648748.db2.gz IZGAVHZJVUAWSV-GFCCVEGCSA-N 1 0 359.348 3.506 20 5 FHBDRO CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000584420724 938847056 /nfs/dbraw/zinc/84/70/56/938847056.db2.gz RTZJTGCFEHQPAK-LJQANCHMSA-N 1 0 367.449 3.854 20 5 FHBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000158848906 938898562 /nfs/dbraw/zinc/89/85/62/938898562.db2.gz UDJMDFMYFUWPNB-LIRRHRJNSA-N 1 0 351.410 3.977 20 5 FHBDRO COc1ccc(NC(=O)CC[NH2+][C@H](c2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC000179108441 938944261 /nfs/dbraw/zinc/94/42/61/938944261.db2.gz BQUMXJWZESRXEB-HXUWFJFHSA-N 1 0 369.421 3.673 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000179108499 938944281 /nfs/dbraw/zinc/94/42/81/938944281.db2.gz BGAQPPQTQMNHPW-HXUWFJFHSA-N 1 0 369.421 3.673 20 5 FHBDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cc1O ZINC000179139245 938978980 /nfs/dbraw/zinc/97/89/80/938978980.db2.gz HDQMCOVSOWFUGU-WBVHZDCISA-N 1 0 356.422 3.810 20 5 FHBDRO Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000179139848 938978997 /nfs/dbraw/zinc/97/89/97/938978997.db2.gz VLGPPWZQBHMVCW-SZVBFZGTSA-N 1 0 356.470 3.737 20 5 FHBDRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000511284671 938984294 /nfs/dbraw/zinc/98/42/94/938984294.db2.gz KCBKAYWHNHLLTO-UHFFFAOYSA-N 1 0 362.474 3.879 20 5 FHBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(CCCn3ccnc3)CC2)cc1 ZINC000611944426 938994783 /nfs/dbraw/zinc/99/47/83/938994783.db2.gz HMLAWELDUCIJID-UHFFFAOYSA-N 1 0 372.469 3.753 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000472352522 939015898 /nfs/dbraw/zinc/01/58/98/939015898.db2.gz ZPMLZUMIXUQGGH-SJLPKXTDSA-N 1 0 367.449 3.795 20 5 FHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000188052150 939017335 /nfs/dbraw/zinc/01/73/35/939017335.db2.gz STNGDOUFGSBJTL-PXAZEXFGSA-N 1 0 373.384 3.564 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000179426567 939155730 /nfs/dbraw/zinc/15/57/30/939155730.db2.gz XTEYAZGZLHRNKQ-CRAIPNDOSA-N 1 0 358.438 3.810 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCc2cc(OC)ccc2C1 ZINC000612194006 939220395 /nfs/dbraw/zinc/22/03/95/939220395.db2.gz CWKZBDASYNYLJN-KRWDZBQOSA-N 1 0 356.422 3.649 20 5 FHBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000179591200 939892567 /nfs/dbraw/zinc/89/25/67/939892567.db2.gz JDXZNHWNVDLNNG-LBPRGKRZSA-N 1 0 352.337 3.926 20 5 FHBDRO CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C[NH+]1CCCCCC1 ZINC000614587111 939915590 /nfs/dbraw/zinc/91/55/90/939915590.db2.gz HDLOHWKLEPMGOR-UHFFFAOYSA-N 1 0 360.458 3.822 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000177129660 939943294 /nfs/dbraw/zinc/94/32/94/939943294.db2.gz WKTWZWSSMFEGEZ-WBVHZDCISA-N 1 0 360.410 3.675 20 5 FHBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000364698345 939985603 /nfs/dbraw/zinc/98/56/03/939985603.db2.gz QORFBZCYJGUEHI-RXVVDRJESA-N 1 0 368.481 3.896 20 5 FHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000364822556 940006344 /nfs/dbraw/zinc/00/63/44/940006344.db2.gz XZNZMGJWPLOYET-PBHICJAKSA-N 1 0 373.478 3.639 20 5 FHBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000516595521 940013656 /nfs/dbraw/zinc/01/36/56/940013656.db2.gz ITVILVPTRXBYHA-UHFFFAOYSA-N 1 0 353.422 3.510 20 5 FHBDRO CCS[C@@H]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411298421 940024556 /nfs/dbraw/zinc/02/45/56/940024556.db2.gz NSHOFJIPVBXRGS-JKSUJKDBSA-N 1 0 351.472 3.529 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000411396859 940037512 /nfs/dbraw/zinc/03/75/12/940037512.db2.gz YFPFUDBCNSPISH-CYBMUJFWSA-N 1 0 373.409 3.751 20 5 FHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000612432571 940065631 /nfs/dbraw/zinc/06/56/31/940065631.db2.gz ZXDOGILXFSFZFA-KRWDZBQOSA-N 1 0 355.438 3.842 20 5 FHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000548934098 940099619 /nfs/dbraw/zinc/09/96/19/940099619.db2.gz REGKNMPEOWWQGC-JOCHJYFZSA-N 1 0 364.445 3.826 20 5 FHBDRO CSc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000507521481 945299043 /nfs/dbraw/zinc/29/90/43/945299043.db2.gz YLTRGROOQQYWAQ-FZKQIMNGSA-N 1 0 371.462 3.773 20 5 FHBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC([NH2+]C2CCCC2)CC1 ZINC000365462779 940167748 /nfs/dbraw/zinc/16/77/48/940167748.db2.gz PWEXRSLWHOLUBX-UHFFFAOYSA-N 1 0 358.364 3.510 20 5 FHBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000124474476 945301995 /nfs/dbraw/zinc/30/19/95/945301995.db2.gz BGXAYWKHWRLGHK-MBNYWOFBSA-N 1 0 373.375 3.941 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180008677 940221419 /nfs/dbraw/zinc/22/14/19/940221419.db2.gz GIKYQGIKDCERCE-YLJYHZDGSA-N 1 0 367.449 3.695 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000431672375 940239346 /nfs/dbraw/zinc/23/93/46/940239346.db2.gz YNXDLHQNAINSOW-OXQOHEQNSA-N 1 0 356.422 3.861 20 5 FHBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000111056410 945305883 /nfs/dbraw/zinc/30/58/83/945305883.db2.gz IHVIDGXRJRGCOC-LSDHHAIUSA-N 1 0 363.458 3.736 20 5 FHBDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)c1 ZINC000584501901 940295656 /nfs/dbraw/zinc/29/56/56/940295656.db2.gz ZZVIBOCSSKMMJE-KRWDZBQOSA-N 1 0 352.394 3.807 20 5 FHBDRO Cn1nc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c2ccccc21 ZINC000612829264 940300234 /nfs/dbraw/zinc/30/02/34/940300234.db2.gz NAVCOESOVXLCIW-QGZVFWFLSA-N 1 0 350.422 3.592 20 5 FHBDRO Cn1nc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000612829272 940300407 /nfs/dbraw/zinc/30/04/07/940300407.db2.gz NCLAKCBLEDPUPS-CRAIPNDOSA-N 1 0 364.449 3.983 20 5 FHBDRO O=[N+]([O-])c1ccc2nc(NCC3CCN(c4cc[nH+]cc4)CC3)ccc2c1 ZINC000180045472 940320617 /nfs/dbraw/zinc/32/06/17/940320617.db2.gz GWJDNMYVBMEQPD-UHFFFAOYSA-N 1 0 363.421 3.867 20 5 FHBDRO COc1cc2c(cc1C[NH2+][C@@H]1CCc3c1cccc3[N+](=O)[O-])O[C@H](C)C2 ZINC000580094005 940451369 /nfs/dbraw/zinc/45/13/69/940451369.db2.gz LAQGNRWXWWECQR-SJKOYZFVSA-N 1 0 354.406 3.704 20 5 FHBDRO O=[N+]([O-])c1cccc([C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)c1 ZINC000180095145 940468336 /nfs/dbraw/zinc/46/83/36/940468336.db2.gz QWLJLZDONMSOLU-KKSFZXQISA-N 1 0 351.450 3.758 20 5 FHBDRO CC(C)OCc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000580814100 940486226 /nfs/dbraw/zinc/48/62/26/940486226.db2.gz UICQXHPTFNNLGU-OALUTQOASA-N 1 0 372.469 3.990 20 5 FHBDRO CC[NH+](CC)[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1ccco1 ZINC000580825024 940486527 /nfs/dbraw/zinc/48/65/27/940486527.db2.gz JKPREQWFRSOBST-GFCCVEGCSA-N 1 0 361.427 3.688 20 5 FHBDRO CCCCOc1ncccc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000580827124 940486529 /nfs/dbraw/zinc/48/65/29/940486529.db2.gz ICVRIHILJULVPG-DLBZAZTESA-N 1 0 373.457 3.639 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3c[nH]nc3-c3cccs3)c2c1 ZINC000581847524 940626713 /nfs/dbraw/zinc/62/67/13/940626713.db2.gz NLBSMMXODQZTHL-UHFFFAOYSA-N 1 0 367.434 3.860 20 5 FHBDRO Cc1cc(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000173508540 940632696 /nfs/dbraw/zinc/63/26/96/940632696.db2.gz ALMGVMZZZLIXND-KRWDZBQOSA-N 1 0 367.449 3.640 20 5 FHBDRO COc1ccc(OCC[NH+]2CCC(OCCC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000173535931 940638646 /nfs/dbraw/zinc/63/86/46/940638646.db2.gz GJDPDMBYMPPYTE-UHFFFAOYSA-N 1 0 366.458 3.509 20 5 FHBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C[NH+]2CCCC2)cc1 ZINC000582074680 940646142 /nfs/dbraw/zinc/64/61/42/940646142.db2.gz IVMRVIKETXBOKM-UHFFFAOYSA-N 1 0 373.840 3.774 20 5 FHBDRO CC(C)c1ccc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)cc1[N+](=O)[O-] ZINC000582381400 940662463 /nfs/dbraw/zinc/66/24/63/940662463.db2.gz PIQQCQBRZJARFD-UHFFFAOYSA-N 1 0 359.470 3.666 20 5 FHBDRO C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N1CCc2sccc2C1 ZINC000519611478 945341855 /nfs/dbraw/zinc/34/18/55/945341855.db2.gz LIYCGZFEUPGCLL-SUMWQHHRSA-N 1 0 357.479 3.680 20 5 FHBDRO CCC[C@H]([NH2+]C[C@@H](CO)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000414173969 940710656 /nfs/dbraw/zinc/71/06/56/940710656.db2.gz HFEQCSUZTLUPKY-PXNSSMCTSA-N 1 0 358.438 3.810 20 5 FHBDRO COc1cccc2c1C[C@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C2 ZINC000414178873 940714303 /nfs/dbraw/zinc/71/43/03/940714303.db2.gz KLVDNILSQVAUJZ-IEBWSBKVSA-N 1 0 352.434 3.682 20 5 FHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnccc1C(C)(C)C ZINC000414233679 940810914 /nfs/dbraw/zinc/81/09/14/940810914.db2.gz RPRMPELYDADRDF-CQSZACIVSA-N 1 0 370.453 3.794 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCC1CCCCC1 ZINC000507605612 945352648 /nfs/dbraw/zinc/35/26/48/945352648.db2.gz AYWQQTVJALHTHO-CQSZACIVSA-N 1 0 363.458 3.833 20 5 FHBDRO CCC[C@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000310823817 940905112 /nfs/dbraw/zinc/90/51/12/940905112.db2.gz HIZXXMBNRZYBDD-BBRMVZONSA-N 1 0 351.447 3.939 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000414296992 940913263 /nfs/dbraw/zinc/91/32/63/940913263.db2.gz RSLUMDTUMIUVAR-XJKSGUPXSA-N 1 0 362.401 3.559 20 5 FHBDRO CCNC(=O)C(C)(C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000120866068 945361942 /nfs/dbraw/zinc/36/19/42/945361942.db2.gz WFRACVDYZQNULA-UHFFFAOYSA-N 1 0 361.467 3.575 20 5 FHBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000180402665 940999730 /nfs/dbraw/zinc/99/97/30/940999730.db2.gz CXSUHBHAPUYTML-MGPUTAFESA-N 1 0 366.417 3.839 20 5 FHBDRO CSc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180394208 941003756 /nfs/dbraw/zinc/00/37/56/941003756.db2.gz HLLCJKLXSVCQTO-AWEZNQCLSA-N 1 0 373.478 3.626 20 5 FHBDRO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCc1nc(-c2ccccc2)no1 ZINC000583051260 941013659 /nfs/dbraw/zinc/01/36/59/941013659.db2.gz HHTDGCLZWUKYGP-YRNVUSSQSA-N 1 0 364.405 3.833 20 5 FHBDRO CCN(C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(F)cc1 ZINC000180446778 941017785 /nfs/dbraw/zinc/01/77/85/941017785.db2.gz OWIGCYAXZYAWJL-LSDHHAIUSA-N 1 0 373.428 3.994 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000452081067 941087382 /nfs/dbraw/zinc/08/73/82/941087382.db2.gz HVRKBQWURFCTHJ-AWEZNQCLSA-N 1 0 357.410 3.591 20 5 FHBDRO CC(C)N1CC[C@H]([NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)C1=O ZINC000180907549 941089956 /nfs/dbraw/zinc/08/99/56/941089956.db2.gz NMOAIRUXHABKGD-ZFWWWQNUSA-N 1 0 373.478 3.983 20 5 FHBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCCOC2CCOCC2)c2ccccc2)c1 ZINC000180916299 941092336 /nfs/dbraw/zinc/09/23/36/941092336.db2.gz YSOXYMYKZWICPN-NRFANRHFSA-N 1 0 370.449 3.860 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000180937808 941094059 /nfs/dbraw/zinc/09/40/59/941094059.db2.gz DXHBIHMCTWTDTK-CQSZACIVSA-N 1 0 368.437 3.804 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000180937829 941094067 /nfs/dbraw/zinc/09/40/67/941094067.db2.gz DXHBIHMCTWTDTK-AWEZNQCLSA-N 1 0 368.437 3.804 20 5 FHBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@H]2CCN(c3ccccn3)C2)c2ccccc2)c1 ZINC000181012399 941102746 /nfs/dbraw/zinc/10/27/46/941102746.db2.gz CPMOOALNSODZQJ-UGKGYDQZSA-N 1 0 374.444 3.948 20 5 FHBDRO Cc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)cc1 ZINC000189099246 941145442 /nfs/dbraw/zinc/14/54/42/941145442.db2.gz PWFKSOUXWBGABM-VQIMIIECSA-N 1 0 367.449 3.663 20 5 FHBDRO Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)cc1 ZINC000189099224 941145491 /nfs/dbraw/zinc/14/54/91/941145491.db2.gz PWFKSOUXWBGABM-APWZRJJASA-N 1 0 367.449 3.663 20 5 FHBDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000311252961 941151330 /nfs/dbraw/zinc/15/13/30/941151330.db2.gz PBBBNAOQUODKTE-ZBFHGGJFSA-N 1 0 363.458 3.768 20 5 FHBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC1(c2ccccc2)CC1 ZINC000189287050 941155360 /nfs/dbraw/zinc/15/53/60/941155360.db2.gz JQDQCXLKCMJQKT-OAHLLOKOSA-N 1 0 353.422 3.585 20 5 FHBDRO C[C@@H]1[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCCN1C(=O)OC(C)(C)C ZINC000189528534 941160717 /nfs/dbraw/zinc/16/07/17/941160717.db2.gz AEUWCGIGMRMDEY-DGCLKSJQSA-N 1 0 355.460 3.534 20 5 FHBDRO Cc1c(C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)cccc1[N+](=O)[O-] ZINC000181432207 941220475 /nfs/dbraw/zinc/22/04/75/941220475.db2.gz LFJGMGDVQXLMJM-OAHLLOKOSA-N 1 0 353.422 3.881 20 5 FHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000480700695 941300887 /nfs/dbraw/zinc/30/08/87/941300887.db2.gz IZAPIOMBEHGTDB-KGLIPLIRSA-N 1 0 365.499 3.700 20 5 FHBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000472639003 941349267 /nfs/dbraw/zinc/34/92/67/941349267.db2.gz SDLOGXUTJAGTOO-JQHSSLGASA-N 1 0 367.449 3.923 20 5 FHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1nccc(C(F)(F)F)n1 ZINC000414511057 941369737 /nfs/dbraw/zinc/36/97/37/941369737.db2.gz WXTUWCSVIYMRNT-YRNVUSSQSA-N 1 0 352.316 3.597 20 5 FHBDRO Cc1c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000311833357 941392624 /nfs/dbraw/zinc/39/26/24/941392624.db2.gz MBFAPWVAIQSNPG-CZUORRHYSA-N 1 0 363.458 3.638 20 5 FHBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000377282687 941616948 /nfs/dbraw/zinc/61/69/48/941616948.db2.gz IERZFERVAUQGMB-GFCCVEGCSA-N 1 0 364.421 3.523 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](n4cncn4)C3)o2)c(Cl)c1 ZINC000377282149 941617415 /nfs/dbraw/zinc/61/74/15/941617415.db2.gz BKOJRVKPPKVWLU-CYBMUJFWSA-N 1 0 373.800 3.547 20 5 FHBDRO CCc1ccc(C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000549195062 941624663 /nfs/dbraw/zinc/62/46/63/941624663.db2.gz ROACTSKKQXARNA-FQEVSTJZSA-N 1 0 370.449 3.562 20 5 FHBDRO O=C(NCCCCCCC[NH+]1CCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000729342471 941724257 /nfs/dbraw/zinc/72/42/57/941724257.db2.gz ZOCZCAWRSPARMS-UHFFFAOYSA-N 1 0 351.422 3.510 20 5 FHBDRO C[N@H+](CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1 ZINC000122522652 941788976 /nfs/dbraw/zinc/78/89/76/941788976.db2.gz NZYWGKPIWVTQOX-UHFFFAOYSA-N 1 0 353.850 3.633 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000513275780 941826132 /nfs/dbraw/zinc/82/61/32/941826132.db2.gz KCCOKIHWRSJJKU-KUHUBIRLSA-N 1 0 353.422 3.925 20 5 FHBDRO COc1ccc(C[N@H+](C)Cc2ccccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000051120081 941895225 /nfs/dbraw/zinc/89/52/25/941895225.db2.gz UQZCXPPAKTYZRX-UHFFFAOYSA-N 1 0 355.438 3.836 20 5 FHBDRO CCc1ccc([C@@H]2CCC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000513400102 941895559 /nfs/dbraw/zinc/89/55/59/941895559.db2.gz AWCUHOFTASWZEH-GOSISDBHSA-N 1 0 367.449 3.636 20 5 FHBDRO C[NH+](C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000377686938 941900019 /nfs/dbraw/zinc/90/00/19/941900019.db2.gz DLCMUISBOYSTTF-WMZOPIPTSA-N 1 0 373.840 3.596 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000182629933 941940289 /nfs/dbraw/zinc/94/02/89/941940289.db2.gz UJJGKKLFMSOVGF-INIZCTEOSA-N 1 0 359.470 3.689 20 5 FHBDRO Cn1nccc1-c1ccccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000513555255 942010335 /nfs/dbraw/zinc/01/03/35/942010335.db2.gz VTHZRZUTTRECLI-UHFFFAOYSA-N 1 0 350.422 3.670 20 5 FHBDRO CC(C)c1ccc(C[NH2+]CCOc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000513609286 942045500 /nfs/dbraw/zinc/04/55/00/942045500.db2.gz RNLSYMQZBCQLIV-UHFFFAOYSA-N 1 0 358.394 3.616 20 5 FHBDRO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000513678021 942069850 /nfs/dbraw/zinc/06/98/50/942069850.db2.gz GXBOVHFKGBZIAB-IFXJQAMLSA-N 1 0 368.412 3.950 20 5 FHBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(F)c(Cl)c1 ZINC000501849294 942076836 /nfs/dbraw/zinc/07/68/36/942076836.db2.gz MAQMWFRKPJAIHT-UHFFFAOYSA-N 1 0 365.792 3.848 20 5 FHBDRO CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000501953169 942136717 /nfs/dbraw/zinc/13/67/17/942136717.db2.gz ZCWHETAAZVDRJY-ZBFHGGJFSA-N 1 0 373.478 3.954 20 5 FHBDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000236982606 942158560 /nfs/dbraw/zinc/15/85/60/942158560.db2.gz ONLWSICZWSPSEJ-DJJJIMSYSA-N 1 0 362.426 3.750 20 5 FHBDRO Cc1c(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cccc1[N+](=O)[O-] ZINC000183148969 942184427 /nfs/dbraw/zinc/18/44/27/942184427.db2.gz YCWJIRRSYYAJOX-UHFFFAOYSA-N 1 0 368.359 3.956 20 5 FHBDRO Cc1cc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc([N+](=O)[O-])c1 ZINC000103092017 942206499 /nfs/dbraw/zinc/20/64/99/942206499.db2.gz FZIUOJBHZJQJFM-QGZVFWFLSA-N 1 0 359.470 3.631 20 5 FHBDRO CC[C@@H]1CN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](CC)O1 ZINC000420945814 942269405 /nfs/dbraw/zinc/26/94/05/942269405.db2.gz BGKVEKFHFNBFKU-DAXOMENPSA-N 1 0 360.414 3.595 20 5 FHBDRO CC[C@H]1C[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](CC)O1 ZINC000420950079 942271380 /nfs/dbraw/zinc/27/13/80/942271380.db2.gz FZYPQPPBGZONMT-IRXDYDNUSA-N 1 0 359.426 3.682 20 5 FHBDRO C[C@@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000312024085 942284452 /nfs/dbraw/zinc/28/44/52/942284452.db2.gz WYOWHLKUPHVCRY-CZUORRHYSA-N 1 0 373.840 3.641 20 5 FHBDRO C[C@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000312024090 942284645 /nfs/dbraw/zinc/28/46/45/942284645.db2.gz WYOWHLKUPHVCRY-XJKSGUPXSA-N 1 0 373.840 3.641 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000421003107 942298142 /nfs/dbraw/zinc/29/81/42/942298142.db2.gz YUMADCPHIDDEHW-MRXNPFEDSA-N 1 0 363.364 3.828 20 5 FHBDRO Cc1ccc([C@H](CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[NH+](C)C)cc1 ZINC000085635574 942321082 /nfs/dbraw/zinc/32/10/82/942321082.db2.gz FUAYVQSHIDHDKP-SFHVURJKSA-N 1 0 370.453 3.944 20 5 FHBDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000366458969 942376571 /nfs/dbraw/zinc/37/65/71/942376571.db2.gz VJOYUJVXKTXUDM-CYBMUJFWSA-N 1 0 373.478 3.898 20 5 FHBDRO CCC(CC)(CNc1c([N+](=O)[O-])c(C)nn1C)[NH2+][C@@H](C)c1ccccc1 ZINC000513743790 942437508 /nfs/dbraw/zinc/43/75/08/942437508.db2.gz BQDHGAUSLDWGTQ-AWEZNQCLSA-N 1 0 359.474 3.958 20 5 FHBDRO CC(C)[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(F)cc1 ZINC000502504151 942482508 /nfs/dbraw/zinc/48/25/08/942482508.db2.gz YTMWFHKIXLNLKH-RTBURBONSA-N 1 0 371.412 3.826 20 5 FHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CC23CCSCC3)c1 ZINC000421354700 942504787 /nfs/dbraw/zinc/50/47/87/942504787.db2.gz SFEIXYZUPYPUNG-LBPRGKRZSA-N 1 0 358.410 3.819 20 5 FHBDRO CC[C@@H]1C[C@@]1([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000502564082 942545696 /nfs/dbraw/zinc/54/56/96/942545696.db2.gz TWPUCWADBFFLGE-BLIXFSHQSA-N 1 0 370.449 3.558 20 5 FHBDRO COc1cc(C[N@H+](C)[C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000429590657 942566768 /nfs/dbraw/zinc/56/67/68/942566768.db2.gz PHZWKFLHWGATMX-WCQYABFASA-N 1 0 358.385 3.868 20 5 FHBDRO O=C(C[NH2+][C@@H](c1ccccc1)C1CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000104697788 942597117 /nfs/dbraw/zinc/59/71/17/942597117.db2.gz CKJWZPMDMZNJGJ-NRFANRHFSA-N 1 0 365.433 3.615 20 5 FHBDRO O=C(C[NH2+][C@@H](c1ccccc1)C1CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000104698736 942597980 /nfs/dbraw/zinc/59/79/80/942597980.db2.gz KCFCHGQTUNUJPO-NRFANRHFSA-N 1 0 365.433 3.615 20 5 FHBDRO CC(C)Oc1cc(C(=O)N(CC[NH+](C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000413293922 942613695 /nfs/dbraw/zinc/61/36/95/942613695.db2.gz OKSWEHWVQVJVBF-UHFFFAOYSA-N 1 0 371.437 3.590 20 5 FHBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000434427048 942654798 /nfs/dbraw/zinc/65/47/98/942654798.db2.gz YADORGGGVQREAO-HNNXBMFYSA-N 1 0 359.451 3.556 20 5 FHBDRO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000434495429 942712566 /nfs/dbraw/zinc/71/25/66/942712566.db2.gz VRLSBJIKRBJGPO-MRXNPFEDSA-N 1 0 374.872 3.597 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425091272 942748921 /nfs/dbraw/zinc/74/89/21/942748921.db2.gz YMFWJNKVDKSUPI-UHFFFAOYSA-N 1 0 374.466 3.769 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000421742272 942790986 /nfs/dbraw/zinc/79/09/86/942790986.db2.gz RLHIITPRBDZFPS-KRWDZBQOSA-N 1 0 373.478 3.840 20 5 FHBDRO C[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000421854817 942848658 /nfs/dbraw/zinc/84/86/58/942848658.db2.gz LCJNCQHYZLCYDI-GFCCVEGCSA-N 1 0 359.451 3.630 20 5 FHBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000505503845 942935162 /nfs/dbraw/zinc/93/51/62/942935162.db2.gz WIVYUFIIPWRZTA-UHFFFAOYSA-N 1 0 368.359 3.906 20 5 FHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1CCC(F)(F)CC1 ZINC000503082602 942965708 /nfs/dbraw/zinc/96/57/08/942965708.db2.gz GUFQOQJPFRTKQY-LBPRGKRZSA-N 1 0 355.385 3.727 20 5 FHBDRO CC[C@@H](O)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000422091301 942995210 /nfs/dbraw/zinc/99/52/10/942995210.db2.gz WGENABBTPQHGHL-CYBMUJFWSA-N 1 0 350.802 3.901 20 5 FHBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000133633966 943005068 /nfs/dbraw/zinc/00/50/68/943005068.db2.gz BVLIRODTAURCKR-UHFFFAOYSA-N 1 0 367.449 3.989 20 5 FHBDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000434892328 943022243 /nfs/dbraw/zinc/02/22/43/943022243.db2.gz QJXMTNJSLLAQLB-UIAACRFSSA-N 1 0 365.433 3.578 20 5 FHBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000434895770 943033975 /nfs/dbraw/zinc/03/39/75/943033975.db2.gz NBGOYQORBFCDCA-ZMSDIMECSA-N 1 0 353.422 3.800 20 5 FHBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2cc(F)ccc2F)C2CCCC2)c1 ZINC000434906524 943044004 /nfs/dbraw/zinc/04/40/04/943044004.db2.gz NKXXTNGONHNDNH-UHFFFAOYSA-N 1 0 350.369 3.514 20 5 FHBDRO Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513784866 943114570 /nfs/dbraw/zinc/11/45/70/943114570.db2.gz ARVJRLMBXGGOPD-QGTPRVQTSA-N 1 0 354.454 3.707 20 5 FHBDRO COc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000312298649 943122064 /nfs/dbraw/zinc/12/20/64/943122064.db2.gz NGPRZZAERKTZGE-ZBFHGGJFSA-N 1 0 371.437 3.687 20 5 FHBDRO CN(c1ccccc1)c1ccc(C[N@H+](C)CCCCCO)cc1[N+](=O)[O-] ZINC000435053698 943126308 /nfs/dbraw/zinc/12/63/08/943126308.db2.gz UXRTYVNAHJEYBG-UHFFFAOYSA-N 1 0 357.454 3.957 20 5 FHBDRO C[C@H]1C[C@]1([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000503368736 943143640 /nfs/dbraw/zinc/14/36/40/943143640.db2.gz NVMHDBRYOQQMED-ORAYPTAESA-N 1 0 373.840 3.736 20 5 FHBDRO C[C@@H]1C[C@]1([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000503380227 943156584 /nfs/dbraw/zinc/15/65/84/943156584.db2.gz VUJKMJLYFHCPLX-KZULUSFZSA-N 1 0 359.813 3.712 20 5 FHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1c2ccccc2C[C@@H]1C[NH3+] ZINC000422627492 943211802 /nfs/dbraw/zinc/21/18/02/943211802.db2.gz OXQRVDYPACMFJQ-OAHLLOKOSA-N 1 0 371.462 3.626 20 5 FHBDRO COc1cccc([C@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)c1 ZINC000505637247 943269503 /nfs/dbraw/zinc/26/95/03/943269503.db2.gz RGBUQKCAVHQTLR-INIZCTEOSA-N 1 0 355.438 3.795 20 5 FHBDRO O=[N+]([O-])c1cc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000423085690 943388807 /nfs/dbraw/zinc/38/88/07/943388807.db2.gz KHYJHCVSFRKRJS-BZUAXINKSA-N 1 0 357.376 3.624 20 5 FHBDRO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423088497 943389470 /nfs/dbraw/zinc/38/94/70/943389470.db2.gz QHXRLURRPDOJCC-SJKOYZFVSA-N 1 0 367.371 3.662 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)[C@H]3CCCOC3)o2)c([N+](=O)[O-])c1 ZINC000503891076 943405795 /nfs/dbraw/zinc/40/57/95/943405795.db2.gz HIUPEPKIQHJQDP-KGLIPLIRSA-N 1 0 360.410 3.768 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000162365898 943449154 /nfs/dbraw/zinc/44/91/54/943449154.db2.gz SHFRTVJPCIRFTD-ZDUSSCGKSA-N 1 0 361.829 3.637 20 5 FHBDRO CC[C@H](N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000423328553 943481300 /nfs/dbraw/zinc/48/13/00/943481300.db2.gz KUVQLFDOSNGKIR-PCCBWWKXSA-N 1 0 369.465 3.790 20 5 FHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000515063942 943482411 /nfs/dbraw/zinc/48/24/11/943482411.db2.gz STVJZEVRCWEXTO-CYBMUJFWSA-N 1 0 365.499 3.509 20 5 FHBDRO CC(C)C(=O)N1CCC([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417301147 943495181 /nfs/dbraw/zinc/49/51/81/943495181.db2.gz ACMSBFAJRKGWNW-IBGZPJMESA-N 1 0 359.470 3.599 20 5 FHBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cncc(Br)c1 ZINC000584733034 943496018 /nfs/dbraw/zinc/49/60/18/943496018.db2.gz WGBOCAGAACWWDV-NSHDSACASA-N 1 0 350.216 3.646 20 5 FHBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)CC(C)C ZINC000515095887 943501332 /nfs/dbraw/zinc/50/13/32/943501332.db2.gz VQSHSMFIBYBYSU-AWEZNQCLSA-N 1 0 354.426 3.612 20 5 FHBDRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417316590 943502134 /nfs/dbraw/zinc/50/21/34/943502134.db2.gz UNJFGMSUVQJBON-GPMSIDNRSA-N 1 0 359.470 3.599 20 5 FHBDRO CSc1ccc(C(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000504127209 943515426 /nfs/dbraw/zinc/51/54/26/943515426.db2.gz ZFUFPFOWZIYCRA-UHFFFAOYSA-N 1 0 353.488 3.508 20 5 FHBDRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)[C@@H]1n1cccn1 ZINC000417346918 943526788 /nfs/dbraw/zinc/52/67/88/943526788.db2.gz GEYFQJIXPCRUHN-HAGHYFMRSA-N 1 0 370.453 3.567 20 5 FHBDRO COc1cc(C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OC ZINC000435739248 943591479 /nfs/dbraw/zinc/59/14/79/943591479.db2.gz FRPSPSXLHPBOSJ-SAZUREKKSA-N 1 0 360.385 3.787 20 5 FHBDRO COc1ccc([C@H]2CC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000504501772 943647284 /nfs/dbraw/zinc/64/72/84/943647284.db2.gz BHALSLARKOAPOK-KRWDZBQOSA-N 1 0 356.422 3.862 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000516844642 943764761 /nfs/dbraw/zinc/76/47/61/943764761.db2.gz RZIJKMXBUJMKAF-AWEZNQCLSA-N 1 0 359.426 3.725 20 5 FHBDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@H]2C1 ZINC000424284362 943836812 /nfs/dbraw/zinc/83/68/12/943836812.db2.gz SLIFCQGOKCURFT-KPVDHRAQSA-N 1 0 358.360 3.907 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)CCCc2ccccc2)cc1[N+](=O)[O-] ZINC000424323594 943844587 /nfs/dbraw/zinc/84/45/87/943844587.db2.gz KVXMFTSXCHETKR-QGZVFWFLSA-N 1 0 369.465 3.693 20 5 FHBDRO C[C@@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000424336160 943851055 /nfs/dbraw/zinc/85/10/55/943851055.db2.gz YLZNBSKWNXHXDE-KGLIPLIRSA-N 1 0 373.478 3.842 20 5 FHBDRO COc1cc(C[NH2+]CC(C)(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237133704 943896511 /nfs/dbraw/zinc/89/65/11/943896511.db2.gz AZBLMTQINCATNT-UHFFFAOYSA-N 1 0 350.337 3.680 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000504899829 943897297 /nfs/dbraw/zinc/89/72/97/943897297.db2.gz MZXCCXJKONFYAO-DLTLXFJOSA-N 1 0 350.484 3.869 20 5 FHBDRO Cc1cc(C[NH3+])cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000424423554 943899754 /nfs/dbraw/zinc/89/97/54/943899754.db2.gz GNHLBMQKVBVYBB-UHFFFAOYSA-N 1 0 354.410 3.558 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)c1ccccc1 ZINC000504905681 943903180 /nfs/dbraw/zinc/90/31/80/943903180.db2.gz MJDOZJVUKMPJNH-IAGOWNOFSA-N 1 0 360.479 3.831 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](Cc2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000504912352 943908725 /nfs/dbraw/zinc/90/87/25/943908725.db2.gz VBRAGELXKYYOQT-LPHOPBHVSA-N 1 0 371.481 3.817 20 5 FHBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417858502 943912097 /nfs/dbraw/zinc/91/20/97/943912097.db2.gz VCOVPOIMZRKZSC-KBXCAEBGSA-N 1 0 370.453 3.526 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](COC)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000504926996 943924782 /nfs/dbraw/zinc/92/47/82/943924782.db2.gz MAGXYZXSOKATFB-YJBOKZPZSA-N 1 0 358.438 3.902 20 5 FHBDRO COC(=O)[C@@H](CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000425445307 943940142 /nfs/dbraw/zinc/94/01/42/943940142.db2.gz MQAWFZIDVXUNSG-INIZCTEOSA-N 1 0 356.422 3.766 20 5 FHBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H](C)C(C)C ZINC000120273746 943957761 /nfs/dbraw/zinc/95/77/61/943957761.db2.gz HWYMNEPXEBRRSP-LLVKDONJSA-N 1 0 372.263 3.662 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCCCC3)C2)cc1OC(F)F ZINC000092657722 944112152 /nfs/dbraw/zinc/11/21/52/944112152.db2.gz ZCOUOLPIKDIOQK-CYBMUJFWSA-N 1 0 355.385 3.508 20 5 FHBDRO CC1(C)[C@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000425493509 944112400 /nfs/dbraw/zinc/11/24/00/944112400.db2.gz OYGUHUDHCGULEB-CFVMTHIKSA-N 1 0 369.259 3.651 20 5 FHBDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500126386 944141235 /nfs/dbraw/zinc/14/12/35/944141235.db2.gz RZXVNNFEZGRGKB-GOEBONIOSA-N 1 0 371.412 3.941 20 5 FHBDRO C[NH+](C)[C@@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])c1ccccc1 ZINC000436275486 944172314 /nfs/dbraw/zinc/17/23/14/944172314.db2.gz PXPRQNBPJCVXHL-ZDUSSCGKSA-N 1 0 354.332 3.723 20 5 FHBDRO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000382118472 944180781 /nfs/dbraw/zinc/18/07/81/944180781.db2.gz WHPUQBONQMIPHN-ACJLOTCBSA-N 1 0 373.840 3.641 20 5 FHBDRO CCCC[N@H+](C)CC1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436307541 944190254 /nfs/dbraw/zinc/19/02/54/944190254.db2.gz KXNDXHLCBOHQLR-UHFFFAOYSA-N 1 0 374.407 3.957 20 5 FHBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC1CC[NH+](C2CCCC2)CC1 ZINC000436408783 944267967 /nfs/dbraw/zinc/26/79/67/944267967.db2.gz WZMWZWIOKSQICH-UHFFFAOYSA-N 1 0 358.364 3.828 20 5 FHBDRO COc1cc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)c([N+](=O)[O-])cc1F ZINC000184231469 944288223 /nfs/dbraw/zinc/28/82/23/944288223.db2.gz ULYCEXXUGYGBHR-SFHVURJKSA-N 1 0 374.412 3.614 20 5 FHBDRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)CC3 ZINC000123212342 944301579 /nfs/dbraw/zinc/30/15/79/944301579.db2.gz GPDSOSXANPDHAJ-OAHLLOKOSA-N 1 0 365.433 3.774 20 5 FHBDRO O=C(CC[N@@H+](Cc1cccc(O)c1)CC1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000436451636 944313628 /nfs/dbraw/zinc/31/36/28/944313628.db2.gz ATISMEPBSABZNP-UHFFFAOYSA-N 1 0 369.421 3.541 20 5 FHBDRO CSc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000500235703 944315578 /nfs/dbraw/zinc/31/55/78/944315578.db2.gz DCYNIOLQTHCRMI-STQMWFEESA-N 1 0 359.451 3.995 20 5 FHBDRO CC1(C)C[C@@H](c2ccccc2)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000425550472 944317358 /nfs/dbraw/zinc/31/73/58/944317358.db2.gz ZKJWDYUZXCUNNA-SFHVURJKSA-N 1 0 353.422 3.667 20 5 FHBDRO CSc1ccc([C@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000500242629 944318937 /nfs/dbraw/zinc/31/89/37/944318937.db2.gz AGLZQXCCUIYJGJ-ZDUSSCGKSA-N 1 0 371.462 3.557 20 5 FHBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000120805366 944341523 /nfs/dbraw/zinc/34/15/23/944341523.db2.gz CFHRLXLEGOJAIO-UHFFFAOYSA-N 1 0 357.385 3.972 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1CCCNc1nc2cc([N+](=O)[O-])ccc2nc1Cl ZINC001167752444 944363829 /nfs/dbraw/zinc/36/38/29/944363829.db2.gz VXLXZHUWEPFSKY-LBPRGKRZSA-N 1 0 363.849 3.868 20 5 FHBDRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)CC3 ZINC000123518652 944370950 /nfs/dbraw/zinc/37/09/50/944370950.db2.gz LDSNRDYNTOMSDR-OAHLLOKOSA-N 1 0 365.433 3.774 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)o2)c1 ZINC000123720116 944414076 /nfs/dbraw/zinc/41/40/76/944414076.db2.gz NAPJIGXQRHYSSW-HOCLYGCPSA-N 1 0 370.327 3.742 20 5 FHBDRO CC[C@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000426311460 944428789 /nfs/dbraw/zinc/42/87/89/944428789.db2.gz NVVAKYOXSURDHJ-SFHVURJKSA-N 1 0 351.406 3.688 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)C1CC1 ZINC000426307747 944432663 /nfs/dbraw/zinc/43/26/63/944432663.db2.gz SRFKSNHPOCMNJV-HKUYNNGSSA-N 1 0 369.440 3.924 20 5 FHBDRO CC(C)[NH+](CCN(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000505851395 944452023 /nfs/dbraw/zinc/45/20/23/944452023.db2.gz MRKCHEUYQACDGE-UHFFFAOYSA-N 1 0 360.458 3.800 20 5 FHBDRO Cn1ncc2ccc(C[NH2+][C@H]3CCC[C@H]3Cc3ccccc3[N+](=O)[O-])cc21 ZINC000517640180 944460968 /nfs/dbraw/zinc/46/09/68/944460968.db2.gz RGHWRPBEZSFZMC-LPHOPBHVSA-N 1 0 364.449 3.983 20 5 FHBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000438325621 944509737 /nfs/dbraw/zinc/50/97/37/944509737.db2.gz NJSJBNMBPPUNFI-FQEVSTJZSA-N 1 0 369.465 3.956 20 5 FHBDRO CCN(CCC[NH+]1CCCC1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000518619098 944550521 /nfs/dbraw/zinc/55/05/21/944550521.db2.gz GFWZCWRAVHIHSO-UHFFFAOYSA-N 1 0 357.401 3.504 20 5 FHBDRO Cn1cc(C[NH2+]C[C@@H]2CCCC(F)(F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000500353955 944606829 /nfs/dbraw/zinc/60/68/29/944606829.db2.gz FLOPCJIGSKKMHI-CYBMUJFWSA-N 1 0 364.396 3.910 20 5 FHBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000843740253 944627706 /nfs/dbraw/zinc/62/77/06/944627706.db2.gz QMMILNRJTWTHNC-AZUAARDMSA-N 1 0 365.433 3.660 20 5 FHBDRO COc1cccc2c1CC[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000426021589 944648115 /nfs/dbraw/zinc/64/81/15/944648115.db2.gz ZTPYTKCWUXUTOC-MRXNPFEDSA-N 1 0 360.841 3.946 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000438482127 944663019 /nfs/dbraw/zinc/66/30/19/944663019.db2.gz KGKGINGPDNQEDF-NRFANRHFSA-N 1 0 367.449 3.895 20 5 FHBDRO Cc1nc2ccc(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc2s1 ZINC000426401935 944678793 /nfs/dbraw/zinc/67/87/93/944678793.db2.gz PWWHKHFNKMZXFJ-AWEZNQCLSA-N 1 0 369.450 3.594 20 5 FHBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@](C)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000438502353 944699629 /nfs/dbraw/zinc/69/96/29/944699629.db2.gz VZRGSXSQYBQZNK-HRAATJIYSA-N 1 0 367.449 3.894 20 5 FHBDRO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[N@@H+]1CCC[C@@H](C)C1 ZINC000506259769 944711089 /nfs/dbraw/zinc/71/10/89/944711089.db2.gz NLMPPJOUOJEGFP-CHWSQXEVSA-N 1 0 361.467 3.660 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)c3c(F)cccc3F)o2)cc1 ZINC000123974244 944785986 /nfs/dbraw/zinc/78/59/86/944785986.db2.gz PHMMMEWAVXBHIL-QGZVFWFLSA-N 1 0 374.343 3.956 20 5 FHBDRO Cc1c(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000506292837 944837966 /nfs/dbraw/zinc/83/79/66/944837966.db2.gz CANNJCDMFKQMLD-ZIAGYGMSSA-N 1 0 362.474 3.781 20 5 FHBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000506993816 944844437 /nfs/dbraw/zinc/84/44/37/944844437.db2.gz ADOXZTZTDPPLGS-INIZCTEOSA-N 1 0 367.449 3.970 20 5 FHBDRO Cc1cn2cc(NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)ccc2n1 ZINC000426103110 944904347 /nfs/dbraw/zinc/90/43/47/944904347.db2.gz SYTSLXGPFUMFGN-UHFFFAOYSA-N 1 0 365.393 3.747 20 5 FHBDRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000437082646 945001079 /nfs/dbraw/zinc/00/10/79/945001079.db2.gz KPVXZKBOFZWFMT-FZMZJTMJSA-N 1 0 361.364 3.879 20 5 FHBDRO CCN1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000518981179 945004072 /nfs/dbraw/zinc/00/40/72/945004072.db2.gz NAZAZSZTOHKNHX-OAHLLOKOSA-N 1 0 373.453 3.827 20 5 FHBDRO C[C@H](CO[C@@H]1CCOC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000151204271 945004716 /nfs/dbraw/zinc/00/47/16/945004716.db2.gz XITIZYVZHLLZQB-CZUORRHYSA-N 1 0 362.451 3.607 20 5 FHBDRO O=[N+]([O-])c1cc(F)c(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c(F)c1 ZINC000511754840 945024596 /nfs/dbraw/zinc/02/45/96/945024596.db2.gz JMEAFVSQKQVWJK-WRWLIDTKSA-N 1 0 374.387 3.878 20 5 FHBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000437848305 945035636 /nfs/dbraw/zinc/03/56/36/945035636.db2.gz WFGYJVPTXRLRFV-OAHLLOKOSA-N 1 0 365.861 3.775 20 5 FHBDRO Cc1ccccc1[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000507208471 945041282 /nfs/dbraw/zinc/04/12/82/945041282.db2.gz QLQFBAAYCZAFDG-INIZCTEOSA-N 1 0 353.422 3.640 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](CO)c2cccnc2)s1 ZINC000519669506 945642618 /nfs/dbraw/zinc/64/26/18/945642618.db2.gz UTSIWXKELLLCCW-OAHLLOKOSA-N 1 0 369.446 3.584 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000181759790 945747980 /nfs/dbraw/zinc/74/79/80/945747980.db2.gz JHQUQKNPPMAOCW-CYBMUJFWSA-N 1 0 353.378 3.939 20 5 FHBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107723747 945767086 /nfs/dbraw/zinc/76/70/86/945767086.db2.gz UJKIHPDQUDRFIX-CQSZACIVSA-N 1 0 366.849 3.730 20 5 FHBDRO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c2ccccc21 ZINC000519833052 945796277 /nfs/dbraw/zinc/79/62/77/945796277.db2.gz KXJXTSSOECJHIQ-MSOLQXFVSA-N 1 0 351.406 3.670 20 5 FHBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc(C)cc1[N+](=O)[O-] ZINC000439693201 945883587 /nfs/dbraw/zinc/88/35/87/945883587.db2.gz LYUHTHHAEKRXAS-SFHVURJKSA-N 1 0 354.454 3.647 20 5 FHBDRO COc1cc(C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1O ZINC000186439699 945926935 /nfs/dbraw/zinc/92/69/35/945926935.db2.gz UKXDMKAFOPPVKA-CYBMUJFWSA-N 1 0 370.327 3.745 20 5 FHBDRO CCCO[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000108397139 945952143 /nfs/dbraw/zinc/95/21/43/945952143.db2.gz FZQRJNRHBNTPQY-QGZVFWFLSA-N 1 0 363.458 3.513 20 5 FHBDRO C[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000248647116 945981048 /nfs/dbraw/zinc/98/10/48/945981048.db2.gz SREXQJVFIHFUKR-CKFHNAJUSA-N 1 0 373.428 3.645 20 5 FHBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000522894107 946075191 /nfs/dbraw/zinc/07/51/91/946075191.db2.gz LUYHIRJGZANDCF-UHFFFAOYSA-N 1 0 365.861 3.586 20 5 FHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H]3CCC4(CCCCCC4)O3)C2)nc1 ZINC001167778386 946097610 /nfs/dbraw/zinc/09/76/10/946097610.db2.gz FLCIWFUAHVYBEA-SJLPKXTDSA-N 1 0 374.485 3.748 20 5 FHBDRO CC(C)[N@H+](C)CCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000438494956 946374929 /nfs/dbraw/zinc/37/49/29/946374929.db2.gz YDGJNXWHSYPHFQ-UHFFFAOYSA-N 1 0 372.425 3.849 20 5 FHBDRO Cc1cc(Cl)c(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC001126597161 946387270 /nfs/dbraw/zinc/38/72/70/946387270.db2.gz KYVIRSQASCEUHM-AWEZNQCLSA-N 1 0 365.861 3.551 20 5 FHBDRO Cc1c([C@@H](C)[NH2+]CCc2csc(N3CCCC3)n2)cccc1[N+](=O)[O-] ZINC000129491616 946413428 /nfs/dbraw/zinc/41/34/28/946413428.db2.gz PYORDMILPDTLIA-CQSZACIVSA-N 1 0 360.483 3.853 20 5 FHBDRO COc1ccc(OCC[N@@H+](Cc2cccc(O)c2)CC2CC2)c([N+](=O)[O-])c1 ZINC000441388588 946541886 /nfs/dbraw/zinc/54/18/86/946541886.db2.gz SMPOIENGEMSHNW-UHFFFAOYSA-N 1 0 372.421 3.600 20 5 FHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441395412 946549838 /nfs/dbraw/zinc/54/98/38/946549838.db2.gz MLQQQZSJKVFQJN-JXFKEZNVSA-N 1 0 373.497 3.831 20 5 FHBDRO CC[N@H+](CCc1ccccc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000052970484 946552567 /nfs/dbraw/zinc/55/25/67/946552567.db2.gz IDZJCRNWQOVMJD-UHFFFAOYSA-N 1 0 352.394 3.709 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000475557668 946631607 /nfs/dbraw/zinc/63/16/07/946631607.db2.gz AQBLCSMUPLDUPM-MRXNPFEDSA-N 1 0 362.474 3.701 20 5 FHBDRO CCS[C@H]1CCCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000112089801 946659772 /nfs/dbraw/zinc/65/97/72/946659772.db2.gz RSPQRVOSWBHOAJ-AWEZNQCLSA-N 1 0 351.472 3.531 20 5 FHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000151978027 946732741 /nfs/dbraw/zinc/73/27/41/946732741.db2.gz IWQNGNZPJUFJLI-QGZVFWFLSA-N 1 0 373.478 3.870 20 5 FHBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@](C)(OC)C3)o2)c([N+](=O)[O-])c1 ZINC000475269433 946785464 /nfs/dbraw/zinc/78/54/64/946785464.db2.gz LNNQPDZRQKUZDK-IBGZPJMESA-N 1 0 360.410 3.864 20 5 FHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)c1ccccc1Cl ZINC000579268951 946848960 /nfs/dbraw/zinc/84/89/60/946848960.db2.gz OKNLRHOCXIWIDE-GDBMZVCRSA-N 1 0 362.857 3.935 20 5 FHBDRO CCc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475319799 946852528 /nfs/dbraw/zinc/85/25/28/946852528.db2.gz IJSRVXLJRYQMEM-IBGZPJMESA-N 1 0 367.449 3.504 20 5 FHBDRO CC[N+](C)(C)Cc1ccccc1N[C@@](C)(Cc1ccc(O)cc1)C(=O)OC ZINC001168080272 946908245 /nfs/dbraw/zinc/90/82/45/946908245.db2.gz JLJIKXGOEAHZFQ-QFIPXVFZSA-O 1 0 371.501 3.575 20 5 FHBDRO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000129765487 946909232 /nfs/dbraw/zinc/90/92/32/946909232.db2.gz KODLQUZKRXPLOA-KSSFIOAISA-N 1 0 373.478 3.778 20 5 FHBDRO CCC[N@H+](CCc1cccs1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000184509877 946920853 /nfs/dbraw/zinc/92/08/53/946920853.db2.gz FWEIASZVNZMRAO-UHFFFAOYSA-N 1 0 361.467 3.574 20 5 FHBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000909604122 946932750 /nfs/dbraw/zinc/93/27/50/946932750.db2.gz NSMWJCPRTDQCKC-CYBMUJFWSA-N 1 0 359.401 3.846 20 5 FHBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@@H]1C ZINC000475361240 946952995 /nfs/dbraw/zinc/95/29/95/946952995.db2.gz FSHXZAHSXCTMIA-SUMWQHHRSA-N 1 0 374.462 3.954 20 5 FHBDRO CSc1cccc(C(=O)N(CC[NH+](C)C)c2ccccc2)c1[N+](=O)[O-] ZINC000186341413 946959540 /nfs/dbraw/zinc/95/95/40/946959540.db2.gz BOHGAEVZLDVMNP-UHFFFAOYSA-N 1 0 359.451 3.525 20 5 FHBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(OC)cc1 ZINC000181830464 947133062 /nfs/dbraw/zinc/13/30/62/947133062.db2.gz BWMMDWJSGDAMKZ-QGZVFWFLSA-N 1 0 371.437 3.981 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCO[C@H]3c3ccc(Cl)cc3)nc2c1 ZINC000444707342 947134894 /nfs/dbraw/zinc/13/48/94/947134894.db2.gz PVIJXOBENUASBA-QAPCUYQASA-N 1 0 372.812 3.744 20 5 FHBDRO COc1ccc(C2([NH2+]CCc3ccc([N+](=O)[O-])cc3)CCOCC2)cc1F ZINC000444799298 947217352 /nfs/dbraw/zinc/21/73/52/947217352.db2.gz HVHFBGAOFDBQHY-UHFFFAOYSA-N 1 0 374.412 3.581 20 5 FHBDRO Cc1cccnc1[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000120910194 947420758 /nfs/dbraw/zinc/42/07/58/947420758.db2.gz WAIDUYCIKKZFJY-SFHVURJKSA-N 1 0 356.426 3.614 20 5 FHBDRO CC[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@]2(CCOC2)O1 ZINC000475624991 947611762 /nfs/dbraw/zinc/61/17/62/947611762.db2.gz LTADRPBIGRDERJ-MGPUTAFESA-N 1 0 372.421 3.625 20 5 FHBDRO CC[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@]2(CCOC2)O1 ZINC000475624994 947611811 /nfs/dbraw/zinc/61/18/11/947611811.db2.gz LTADRPBIGRDERJ-YWZLYKJASA-N 1 0 372.421 3.625 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000523862236 947672697 /nfs/dbraw/zinc/67/26/97/947672697.db2.gz MMHYPMCRDPELPF-QGZVFWFLSA-N 1 0 373.428 3.891 20 5 FHBDRO CC(C)(C)[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000162915084 947853518 /nfs/dbraw/zinc/85/35/18/947853518.db2.gz OGVQCPJIRWQJQX-UHFFFAOYSA-N 1 0 365.499 3.747 20 5 FHBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)c2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000473986674 947893355 /nfs/dbraw/zinc/89/33/55/947893355.db2.gz KONZBWOFOQREMD-OAHLLOKOSA-N 1 0 372.421 3.614 20 5 FHBDRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000105448303 948035350 /nfs/dbraw/zinc/03/53/50/948035350.db2.gz IWRGECLFKAEGQU-UHFFFAOYSA-N 1 0 364.449 3.789 20 5 FHBDRO Cc1cc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000549617752 948092357 /nfs/dbraw/zinc/09/23/57/948092357.db2.gz WEPTVPYPKYDNIZ-MRXNPFEDSA-N 1 0 361.829 3.589 20 5 FHBDRO CC[NH+](CC)Cc1ccc(C(=O)Oc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000106195068 948094131 /nfs/dbraw/zinc/09/41/31/948094131.db2.gz ZTBZODCQGJCPKZ-UHFFFAOYSA-N 1 0 358.394 3.664 20 5 FHBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC000136921481 948106648 /nfs/dbraw/zinc/10/66/48/948106648.db2.gz PDFIAFZVCVSGKN-MEDUHNTESA-N 1 0 370.327 3.878 20 5 FHBDRO Cc1ccc(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000520497903 948143093 /nfs/dbraw/zinc/14/30/93/948143093.db2.gz KJGLUKQEIYPZLA-HNNXBMFYSA-N 1 0 355.438 3.762 20 5 FHBDRO COc1ccc([C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1O ZINC000574729430 948399055 /nfs/dbraw/zinc/39/90/55/948399055.db2.gz SBFGTAIKFHQWNI-LBPRGKRZSA-N 1 0 355.394 3.684 20 5 FHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000512122391 948479323 /nfs/dbraw/zinc/47/93/23/948479323.db2.gz LMRHMHBXTGSWSA-KBPBESRZSA-N 1 0 365.499 3.508 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1cccs1)C(C)(C)CO ZINC000571329751 948611406 /nfs/dbraw/zinc/61/14/06/948611406.db2.gz FIBNOMSELJTANJ-MRXNPFEDSA-N 1 0 350.440 3.514 20 5 FHBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000279209408 948618992 /nfs/dbraw/zinc/61/89/92/948618992.db2.gz XZIKERXGXWFGTM-FMEYXAORSA-N 1 0 362.495 3.962 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)CC(C)(C)C ZINC000053123782 948693421 /nfs/dbraw/zinc/69/34/21/948693421.db2.gz BDZFIECDSUVLMY-UHFFFAOYSA-N 1 0 351.447 3.736 20 5 FHBDRO COC(=O)COc1ccc(C[NH2+]CCC2=CCCCCC2)cc1[N+](=O)[O-] ZINC000474009633 948723766 /nfs/dbraw/zinc/72/37/66/948723766.db2.gz JJFJKTQYDOEOSX-UHFFFAOYSA-N 1 0 362.426 3.517 20 5 FHBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000909619736 948748951 /nfs/dbraw/zinc/74/89/51/948748951.db2.gz GTUPORZMJOEMNX-UHFFFAOYSA-N 1 0 359.451 3.696 20 5 FHBDRO COc1ccccc1CC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000524002721 948756780 /nfs/dbraw/zinc/75/67/80/948756780.db2.gz WCTQIDVUVUQETH-UHFFFAOYSA-N 1 0 370.449 3.937 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889141 221095532 /nfs/dbraw/zinc/09/55/32/221095532.db2.gz CDWYVLLDMWZMPK-UHFFFAOYSA-N 1 0 361.486 3.691 20 5 FHBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000072040977 221398969 /nfs/dbraw/zinc/39/89/69/221398969.db2.gz AONXKNSNXUTUGQ-UHFFFAOYSA-N 1 0 370.453 3.971 20 5 FHBDRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000071943356 221389187 /nfs/dbraw/zinc/38/91/87/221389187.db2.gz GDUCEWYWKWSOEP-UHFFFAOYSA-N 1 0 362.474 3.879 20 5 FHBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000481375839 567868403 /nfs/dbraw/zinc/86/84/03/567868403.db2.gz QUMGOQBMUGOXPB-MLGOLLRUSA-N 1 0 374.466 3.777 20 5 FHBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000481414147 567908690 /nfs/dbraw/zinc/90/86/90/567908690.db2.gz OEVMLQBTLVJKSX-AAEUAGOBSA-N 1 0 358.385 3.868 20 5 FHBDRO COc1ccc(CN2C[C@H]3CCC[N@@H+]3Cc3ccccc32)cc1[N+](=O)[O-] ZINC000568148603 567946757 /nfs/dbraw/zinc/94/67/57/567946757.db2.gz DUZZFBFRGHSQFD-QGZVFWFLSA-N 1 0 353.422 3.588 20 5 FHBDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000481495984 567997853 /nfs/dbraw/zinc/99/78/53/567997853.db2.gz NSCRNDZQHUZVCY-ACJLOTCBSA-N 1 0 364.829 3.993 20 5 FHBDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000481495989 568006614 /nfs/dbraw/zinc/00/66/14/568006614.db2.gz NSCRNDZQHUZVCY-UGSOOPFHSA-N 1 0 364.829 3.993 20 5 FHBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(N2CCCNC2=O)cc1 ZINC000291200088 568075955 /nfs/dbraw/zinc/07/59/55/568075955.db2.gz MYDPPFUDEYNGEV-HUUCEWRRSA-N 1 0 368.437 3.926 20 5 FHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2c[nH]c3ccc(F)cc23)n1 ZINC000482005620 568226351 /nfs/dbraw/zinc/22/63/51/568226351.db2.gz KMLHFPYWNCRQJC-MSOLQXFVSA-N 1 0 371.416 3.728 20 5 FHBDRO COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])s2)[NH+]2CCCCC2)cc1 ZINC000190302092 568256841 /nfs/dbraw/zinc/25/68/41/568256841.db2.gz IBUSNWYRRPUXHY-OAHLLOKOSA-N 1 0 362.455 3.699 20 5 FHBDRO O=C(Nc1ccc(-c2c[nH]cn2)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541940645 568257366 /nfs/dbraw/zinc/25/73/66/568257366.db2.gz WPZQYUPCGYEHGZ-UHFFFAOYSA-N 1 0 374.303 3.839 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cnn(-c4ccccc4)c3)c2c1 ZINC000569267186 568323508 /nfs/dbraw/zinc/32/35/08/568323508.db2.gz XZJCNICQPQEOKC-UHFFFAOYSA-N 1 0 361.405 3.594 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000072960708 568381254 /nfs/dbraw/zinc/38/12/54/568381254.db2.gz QIYQXYCWTLMIQE-UHFFFAOYSA-N 1 0 354.406 3.925 20 5 FHBDRO Cc1c(F)cccc1NC(=O)CC[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000569837119 568421057 /nfs/dbraw/zinc/42/10/57/568421057.db2.gz IFEJHJCMVTUZAO-UHFFFAOYSA-N 1 0 373.428 3.983 20 5 FHBDRO CC(C)c1ccc(C[NH2+][C@H]2CCC[C@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000569825979 568427943 /nfs/dbraw/zinc/42/79/43/568427943.db2.gz PFBPZFIQZISHRW-IRXDYDNUSA-N 1 0 359.470 3.741 20 5 FHBDRO Cc1ccc(Sc2ccc(C(=O)NC[C@H](C)[NH+](C)C)cc2[N+](=O)[O-])cc1 ZINC000033093250 568451036 /nfs/dbraw/zinc/45/10/36/568451036.db2.gz FLYJGIUKJAKQDH-AWEZNQCLSA-N 1 0 373.478 3.734 20 5 FHBDRO C[C@H]([NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000570502502 568488819 /nfs/dbraw/zinc/48/88/19/568488819.db2.gz DGSCEUWFUCNGSR-STQMWFEESA-N 1 0 359.392 3.908 20 5 FHBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000825143609 609339332 /nfs/dbraw/zinc/33/93/32/609339332.db2.gz WYHSJPTXGGZNAA-APPDUMDISA-N 1 0 370.388 3.716 20 5 FHBDRO Cc1nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC001164995770 722191813 /nfs/dbraw/zinc/19/18/13/722191813.db2.gz XVSQODHHKPHIDQ-HXUWFJFHSA-N 1 0 370.428 3.682 20 5 FHBDRO Cc1cc(N2CCSC3(CCOCC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000274493573 927037284 /nfs/dbraw/zinc/03/72/84/927037284.db2.gz QNMAJMICTRTGGR-UHFFFAOYSA-N 1 0 359.451 3.554 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000120068854 927038418 /nfs/dbraw/zinc/03/84/18/927038418.db2.gz YSMWHVHMCUHYBZ-AWEZNQCLSA-N 1 0 362.474 3.845 20 5 FHBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000175275445 927243970 /nfs/dbraw/zinc/24/39/70/927243970.db2.gz GEMALXNAMPLVPH-GOSISDBHSA-N 1 0 367.449 3.579 20 5 FHBDRO COc1cccc([C@@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)[NH+](C)C)c1 ZINC000097335768 927341558 /nfs/dbraw/zinc/34/15/58/927341558.db2.gz UVTTVWWXIUHDHC-LJQANCHMSA-N 1 0 366.421 3.866 20 5 FHBDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000430155616 927379990 /nfs/dbraw/zinc/37/99/90/927379990.db2.gz ZVSYXZZJAMTSAM-YJBOKZPZSA-N 1 0 355.438 3.708 20 5 FHBDRO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000302000808 927404536 /nfs/dbraw/zinc/40/45/36/927404536.db2.gz IYHPMADMFRCEGD-CVEARBPZSA-N 1 0 354.454 3.903 20 5 FHBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000246873234 927858562 /nfs/dbraw/zinc/85/85/62/927858562.db2.gz QDKUIFOMHVCKBW-IEBWSBKVSA-N 1 0 374.412 3.831 20 5 FHBDRO CC[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430197942 927908059 /nfs/dbraw/zinc/90/80/59/927908059.db2.gz XCUWQTAWMXKKAU-HXUWFJFHSA-N 1 0 358.438 3.767 20 5 FHBDRO C[C@H]1C[C@H](CCNC(=O)c2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000510083416 927939219 /nfs/dbraw/zinc/93/92/19/927939219.db2.gz HRBWTPGIMDQVAC-WMZOPIPTSA-N 1 0 367.449 3.625 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000430202097 927971294 /nfs/dbraw/zinc/97/12/94/927971294.db2.gz FDMZKDIVBSWYDE-AWEZNQCLSA-N 1 0 352.394 3.640 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000510096422 928221662 /nfs/dbraw/zinc/22/16/62/928221662.db2.gz ZOQXGPQSJDBDRX-AWEZNQCLSA-N 1 0 360.458 3.546 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000430217873 928257886 /nfs/dbraw/zinc/25/78/86/928257886.db2.gz LUFMIBWDZGVGEW-ZDUSSCGKSA-N 1 0 369.421 3.803 20 5 FHBDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000466898970 928262057 /nfs/dbraw/zinc/26/20/57/928262057.db2.gz DZRZBVBHFXRMQN-GOSISDBHSA-N 1 0 366.417 3.856 20 5 FHBDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000466898971 928262709 /nfs/dbraw/zinc/26/27/09/928262709.db2.gz DZRZBVBHFXRMQN-SFHVURJKSA-N 1 0 366.417 3.856 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000430235593 928373784 /nfs/dbraw/zinc/37/37/84/928373784.db2.gz DYQSWYOTJGVAGS-SFHVURJKSA-N 1 0 369.465 3.557 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(CO)CC3)o2)c(Cl)c1 ZINC000127045950 928429186 /nfs/dbraw/zinc/42/91/86/928429186.db2.gz MFYOIBLKYMVSNR-UHFFFAOYSA-N 1 0 350.802 3.713 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438858 937280129 /nfs/dbraw/zinc/28/01/29/937280129.db2.gz VHEMNWFUMHYTDB-UHFFFAOYSA-N 1 0 363.364 3.642 20 5 FHBDRO O=[N+]([O-])c1ccc2c(ccnc2-n2c3ccc(F)cc3c3c2CC[NH2+]C3)c1 ZINC001167088239 929006584 /nfs/dbraw/zinc/00/65/84/929006584.db2.gz AWXRTKSTXKLQLE-UHFFFAOYSA-N 1 0 362.364 3.872 20 5 FHBDRO C[C@@](CO)([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000609710984 929339756 /nfs/dbraw/zinc/33/97/56/929339756.db2.gz RGQCPHDZMQBYOT-INIZCTEOSA-N 1 0 354.328 3.611 20 5 FHBDRO CN(C(=O)[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000430303309 929616095 /nfs/dbraw/zinc/61/60/95/929616095.db2.gz MVNNUAGSIIDWOD-CQSZACIVSA-N 1 0 373.840 3.733 20 5 FHBDRO COc1ccccc1O[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000583325934 937347844 /nfs/dbraw/zinc/34/78/44/937347844.db2.gz DWECIZGMRNKCNG-KRWDZBQOSA-N 1 0 356.422 3.955 20 5 FHBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275672237 929822720 /nfs/dbraw/zinc/82/27/20/929822720.db2.gz NEBKNSPXZQHNIH-HNNXBMFYSA-N 1 0 363.461 3.698 20 5 FHBDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000155557134 929992623 /nfs/dbraw/zinc/99/26/23/929992623.db2.gz GBJRGILZEFTIKF-HNNXBMFYSA-N 1 0 373.478 3.671 20 5 FHBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000118986532 930498633 /nfs/dbraw/zinc/49/86/33/930498633.db2.gz BGWSCYZPVPLWNP-MRXNPFEDSA-N 1 0 371.824 3.873 20 5 FHBDRO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000177763731 930673786 /nfs/dbraw/zinc/67/37/86/930673786.db2.gz DKSNAJGNNUPUGF-GFCCVEGCSA-N 1 0 361.467 3.889 20 5 FHBDRO C[C@@H]1CCCN(c2ccc(-c3nc(C4([NH3+])CCCC4)no3)cc2[N+](=O)[O-])C1 ZINC000261885649 930882320 /nfs/dbraw/zinc/88/23/20/930882320.db2.gz WVGWFXRIOJYBHB-CYBMUJFWSA-N 1 0 371.441 3.609 20 5 FHBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001167424391 930940501 /nfs/dbraw/zinc/94/05/01/930940501.db2.gz HZOOFHALJXFVFX-LSDHHAIUSA-N 1 0 363.458 3.689 20 5 FHBDRO Cc1ccc([C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)[NH+](C)C)cc1 ZINC000561159349 931034642 /nfs/dbraw/zinc/03/46/42/931034642.db2.gz RFXCNYQWWHXRPK-CQSZACIVSA-N 1 0 357.439 3.623 20 5 FHBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275986352 931182188 /nfs/dbraw/zinc/18/21/88/931182188.db2.gz PNUCNZGCMXXYMH-INIZCTEOSA-N 1 0 363.461 3.696 20 5 FHBDRO CC(=O)c1cc(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000561236468 931340934 /nfs/dbraw/zinc/34/09/34/931340934.db2.gz RNFGTHNBQFUIEY-RDTXWAMCSA-N 1 0 353.422 3.872 20 5 FHBDRO Cn1cc(C[N@H+](C)CCc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000126445061 931831618 /nfs/dbraw/zinc/83/16/18/931831618.db2.gz XIJACSJHLORPPC-UHFFFAOYSA-N 1 0 350.422 3.670 20 5 FHBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000610391305 932011991 /nfs/dbraw/zinc/01/19/91/932011991.db2.gz ROVFNMWXUOUCOX-IJEWVQPXSA-N 1 0 359.426 3.546 20 5 FHBDRO COc1cccc(NC(=O)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000135239098 932079205 /nfs/dbraw/zinc/07/92/05/932079205.db2.gz PRJDYSAWIVZWNB-UHFFFAOYSA-N 1 0 369.421 3.597 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CO)c2ccc(CC)cc2)cc1[N+](=O)[O-] ZINC000090844076 932358358 /nfs/dbraw/zinc/35/83/58/932358358.db2.gz CFBZYBVDHUPVJX-RDTXWAMCSA-N 1 0 358.438 3.940 20 5 FHBDRO CC(C)[NH+](CCS[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000161003928 932541872 /nfs/dbraw/zinc/54/18/72/932541872.db2.gz VTYJKWMKSLOBEN-AWEZNQCLSA-N 1 0 353.488 3.774 20 5 FHBDRO CCOC(CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])OCC ZINC000276525959 932556288 /nfs/dbraw/zinc/55/62/88/932556288.db2.gz MVRLIEQECODYJL-DOTOQJQBSA-N 1 0 350.459 3.685 20 5 FHBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000090910230 932610926 /nfs/dbraw/zinc/61/09/26/932610926.db2.gz DINOMICUAXRFOW-AWEZNQCLSA-N 1 0 368.437 3.772 20 5 FHBDRO CC[NH+](CC)[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000127298831 932655642 /nfs/dbraw/zinc/65/56/42/932655642.db2.gz UXFNQMMMVSHMGZ-QGZVFWFLSA-N 1 0 360.483 3.634 20 5 FHBDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000276726845 933064336 /nfs/dbraw/zinc/06/43/36/933064336.db2.gz DUTLDPLJDDIOIL-AWEZNQCLSA-N 1 0 362.451 3.548 20 5 FHBDRO C[S@@](=O)c1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000610574715 933157717 /nfs/dbraw/zinc/15/77/17/933157717.db2.gz BAYJZFJIWZWGHU-AREMUKBSSA-N 1 0 370.430 3.882 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000510542217 933204693 /nfs/dbraw/zinc/20/46/93/933204693.db2.gz XZGHYKYCZLGJPX-DNVCBOLYSA-N 1 0 355.438 3.633 20 5 FHBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1C)[NH+](C)C ZINC000510545930 933208713 /nfs/dbraw/zinc/20/87/13/933208713.db2.gz MAEROZQQESJYLX-BEFAXECRSA-N 1 0 355.438 3.633 20 5 FHBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000430820046 933260474 /nfs/dbraw/zinc/26/04/74/933260474.db2.gz HISCQJXGYMOJHO-UONOGXRCSA-N 1 0 353.488 3.595 20 5 FHBDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000510616171 933297673 /nfs/dbraw/zinc/29/76/73/933297673.db2.gz FFDPMDAEEOBKSB-INIZCTEOSA-N 1 0 366.421 3.968 20 5 FHBDRO COCC[N@H+](CCCc1ccccc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610580942 933322417 /nfs/dbraw/zinc/32/24/17/933322417.db2.gz JHDYFZOHHJLDNF-UHFFFAOYSA-N 1 0 369.421 3.817 20 5 FHBDRO COCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000178365999 933576156 /nfs/dbraw/zinc/57/61/56/933576156.db2.gz PUEHIVTWVDTQNI-ACJLOTCBSA-N 1 0 364.467 3.761 20 5 FHBDRO C[C@H]([NH2+][C@H]1CC2CCC1CC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000431078128 933805695 /nfs/dbraw/zinc/80/56/95/933805695.db2.gz RSCSLYDLRLODGR-BTRARHSGSA-N 1 0 351.834 3.744 20 5 FHBDRO CCOc1cc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000276972908 934177264 /nfs/dbraw/zinc/17/72/64/934177264.db2.gz XHUHXUDPQISSBW-SHZVTRLKSA-N 1 0 362.451 3.582 20 5 FHBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c(F)c1 ZINC000134812890 934337959 /nfs/dbraw/zinc/33/79/59/934337959.db2.gz JCYFSBAJHLSNBO-APWZRJJASA-N 1 0 362.376 3.961 20 5 FHBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000458204488 934375859 /nfs/dbraw/zinc/37/58/59/934375859.db2.gz QSFTWJSTWVTYMM-UHFFFAOYSA-N 1 0 367.858 3.514 20 5 FHBDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@H]1O ZINC000535810287 934418786 /nfs/dbraw/zinc/41/87/86/934418786.db2.gz BOOOBWONVHBRJP-OXQOHEQNSA-N 1 0 355.438 3.565 20 5 FHBDRO Cc1c(CC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000610969974 934668663 /nfs/dbraw/zinc/66/86/63/934668663.db2.gz KYGNECRZWCKBAZ-UHFFFAOYSA-N 1 0 373.497 3.560 20 5 FHBDRO Cc1cc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)ccc1C[NH+](C)C ZINC000458317357 934673110 /nfs/dbraw/zinc/67/31/10/934673110.db2.gz NFQBLNDPAGTAIU-UHFFFAOYSA-N 1 0 370.453 3.796 20 5 FHBDRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000277170662 934711527 /nfs/dbraw/zinc/71/15/27/934711527.db2.gz ZKGRCJIRYOGCKZ-LBPRGKRZSA-N 1 0 374.363 3.562 20 5 FHBDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000538417179 934847263 /nfs/dbraw/zinc/84/72/63/934847263.db2.gz NNZKJKAVNWWCCF-ZIAGYGMSSA-N 1 0 362.426 3.750 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380702555 934879818 /nfs/dbraw/zinc/87/98/18/934879818.db2.gz HBHLHMRYSQRFSH-SJLPKXTDSA-N 1 0 369.465 3.604 20 5 FHBDRO CCC(CC)C(=O)N1CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000166054199 934969324 /nfs/dbraw/zinc/96/93/24/934969324.db2.gz GMZKDVUXUAXDCB-OAHLLOKOSA-N 1 0 361.486 3.981 20 5 FHBDRO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000119653945 934985859 /nfs/dbraw/zinc/98/58/59/934985859.db2.gz LQMKOXFHULRLBE-NVXWUHKLSA-N 1 0 355.438 3.841 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000539090506 935015898 /nfs/dbraw/zinc/01/58/98/935015898.db2.gz MAGPHACHSFNSOE-YZVOILCLSA-N 1 0 353.422 3.748 20 5 FHBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000551269968 935237554 /nfs/dbraw/zinc/23/75/54/935237554.db2.gz AIBWCRCIIOVAAB-GNISGLHKSA-N 1 0 367.449 3.715 20 5 FHBDRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000551533761 935307885 /nfs/dbraw/zinc/30/78/85/935307885.db2.gz PPFRXVTVWYAVGW-JSNMRZPZSA-N 1 0 356.422 3.764 20 5 FHBDRO COCC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCOC1 ZINC000426531391 945093693 /nfs/dbraw/zinc/09/36/93/945093693.db2.gz SJBYLDWFUHANBT-AWEZNQCLSA-N 1 0 362.451 3.561 20 5 FHBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000119974174 935385697 /nfs/dbraw/zinc/38/56/97/935385697.db2.gz QNQMKQHWRGNTJL-UONOGXRCSA-N 1 0 360.845 3.881 20 5 FHBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC001167568082 935585389 /nfs/dbraw/zinc/58/53/89/935585389.db2.gz MWVPLQGUWUVXLW-OAQYLSRUSA-N 1 0 370.449 3.697 20 5 FHBDRO Cn1cc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000111397937 935712164 /nfs/dbraw/zinc/71/21/64/935712164.db2.gz GCDRETWGOFPIPD-YLJYHZDGSA-N 1 0 362.433 3.889 20 5 FHBDRO Cc1ccc(-c2nnc(CN(C)CCc3ccccc3[N+](=O)[O-])o2)cc1 ZINC000511137151 935767231 /nfs/dbraw/zinc/76/72/31/935767231.db2.gz BUVVAMVNRHFNNA-UHFFFAOYSA-N 1 0 352.394 3.628 20 5 FHBDRO C[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C[NH+]1CCCC1 ZINC000277671530 935806663 /nfs/dbraw/zinc/80/66/63/935806663.db2.gz DSHNMKLTPSZMFV-OAHLLOKOSA-N 1 0 363.461 3.555 20 5 FHBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000479596657 935867698 /nfs/dbraw/zinc/86/76/98/935867698.db2.gz YBLCGZFEXSPBFS-YLJYHZDGSA-N 1 0 355.438 3.756 20 5 FHBDRO CCC(=O)c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000479851216 935905038 /nfs/dbraw/zinc/90/50/38/935905038.db2.gz KOHOOQGSWBHPMF-QGZVFWFLSA-N 1 0 353.422 3.874 20 5 FHBDRO O=[N+]([O-])c1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)ccc1Oc1ccccc1Cl ZINC000479951320 935927246 /nfs/dbraw/zinc/92/72/46/935927246.db2.gz ABJIROJIWUCUJL-GASCZTMLSA-N 1 0 373.840 3.692 20 5 FHBDRO O=C(NCCC[NH+]1CCCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277793685 935952296 /nfs/dbraw/zinc/95/22/96/935952296.db2.gz NLGMYKSFCQRCOL-UHFFFAOYSA-N 1 0 363.461 3.699 20 5 FHBDRO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000582702766 935964218 /nfs/dbraw/zinc/96/42/18/935964218.db2.gz KCWNVYONUYRRQO-INIZCTEOSA-N 1 0 369.465 3.857 20 5 FHBDRO CCOc1ccc([C@@H](C)Nc2cnn(-c3cc[nH+]cc3)c2)cc1[N+](=O)[O-] ZINC000611480855 935972318 /nfs/dbraw/zinc/97/23/18/935972318.db2.gz HWEHLNUEOARLDY-CYBMUJFWSA-N 1 0 353.382 3.747 20 5 FHBDRO CC(C)OC1CCC([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000611560819 935989796 /nfs/dbraw/zinc/98/97/96/935989796.db2.gz DJSOPKQJGSFQJG-NKELODKYSA-N 1 0 372.469 3.744 20 5 FHBDRO CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178644781 936022267 /nfs/dbraw/zinc/02/22/67/936022267.db2.gz LHZQDSONPDQJSL-AWEZNQCLSA-N 1 0 356.426 3.976 20 5 FHBDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000178661519 936092424 /nfs/dbraw/zinc/09/24/24/936092424.db2.gz HSMCQNVKEPPSRT-GOEBONIOSA-N 1 0 371.437 3.542 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000178680218 936172172 /nfs/dbraw/zinc/17/21/72/936172172.db2.gz CYRLDHYZMQZRBC-RYUDHWBXSA-N 1 0 363.364 3.859 20 5 FHBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1nc2cc([N+](=O)[O-])ccc2nc1Cl ZINC001167625834 936203286 /nfs/dbraw/zinc/20/32/86/936203286.db2.gz PZNBBNATDVDRGJ-UHFFFAOYSA-N 1 0 363.849 3.676 20 5 FHBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)[NH+](C)C ZINC000612523366 936260600 /nfs/dbraw/zinc/26/06/00/936260600.db2.gz CBRHTJXEUIKHFX-CYBMUJFWSA-N 1 0 365.499 3.557 20 5 FHBDRO C[C@H](NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458638187 938359612 /nfs/dbraw/zinc/35/96/12/938359612.db2.gz SVNRFKGNYGMUOA-ZOBUZTSGSA-N 1 0 374.485 3.608 20 5 FHBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000583699501 938365493 /nfs/dbraw/zinc/36/54/93/938365493.db2.gz WIHPEJFNKUUVDM-ZDUSSCGKSA-N 1 0 365.499 3.557 20 5 FHBDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000543853325 938398896 /nfs/dbraw/zinc/39/88/96/938398896.db2.gz NIMMXZSJMJTOJO-DZGCQCFKSA-N 1 0 367.877 3.765 20 5 FHBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000317891269 938408853 /nfs/dbraw/zinc/40/88/53/938408853.db2.gz VXRXZNBKBOFZPQ-LLVKDONJSA-N 1 0 373.295 3.983 20 5 FHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000583822220 938432295 /nfs/dbraw/zinc/43/22/95/938432295.db2.gz FZHWCJQXQMEKSW-GOSISDBHSA-N 1 0 352.438 3.757 20 5 FHBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H]1C ZINC000437260267 945174542 /nfs/dbraw/zinc/17/45/42/945174542.db2.gz SXLIOFPPOQULSH-SMDDNHRTSA-N 1 0 373.375 3.558 20 5 FHBDRO Cc1c(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000584191556 938636978 /nfs/dbraw/zinc/63/69/78/938636978.db2.gz MICLLDJMCXUWRS-QAPCUYQASA-N 1 0 368.437 3.688 20 5 FHBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000090100070 938876022 /nfs/dbraw/zinc/87/60/22/938876022.db2.gz XTZVZKDFTFTLAV-MRXNPFEDSA-N 1 0 354.454 3.825 20 5 FHBDRO Cc1ccc([C@@H](CN2CCOCC2)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000480422161 938911908 /nfs/dbraw/zinc/91/19/08/938911908.db2.gz WOZUBPNACRTSRY-LAUBAEHRSA-N 1 0 369.465 3.627 20 5 FHBDRO CC[C@@H](OC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC001267375063 938914278 /nfs/dbraw/zinc/91/42/78/938914278.db2.gz ZOBMADSBPKBHSK-CRAIPNDOSA-N 1 0 352.406 3.802 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H]3CCCC[C@@H]3O)o2)c([N+](=O)[O-])c1 ZINC000124280550 945215801 /nfs/dbraw/zinc/21/58/01/945215801.db2.gz DKRRMZVHTDAVCO-ACJLOTCBSA-N 1 0 360.410 3.504 20 5 FHBDRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000516763753 945216580 /nfs/dbraw/zinc/21/65/80/945216580.db2.gz ALWWAAOCTJHVLE-UHFFFAOYSA-N 1 0 353.422 3.754 20 5 FHBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000431562383 938970949 /nfs/dbraw/zinc/97/09/49/938970949.db2.gz CNNVLJTXIALMKB-UHFFFAOYSA-N 1 0 373.453 3.829 20 5 FHBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cc(Br)cs1 ZINC000603849128 939006209 /nfs/dbraw/zinc/00/62/09/939006209.db2.gz HXAICEVIWQHCCO-UHFFFAOYSA-N 1 0 371.256 3.930 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000472352520 939015957 /nfs/dbraw/zinc/01/59/57/939015957.db2.gz ZPMLZUMIXUQGGH-AEFFLSMTSA-N 1 0 367.449 3.795 20 5 FHBDRO CSc1cccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000188079407 939017719 /nfs/dbraw/zinc/01/77/19/939017719.db2.gz UUNDXEAPDPIJQK-CYBMUJFWSA-N 1 0 365.499 3.557 20 5 FHBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000511826879 945224323 /nfs/dbraw/zinc/22/43/23/945224323.db2.gz SXGGBWQUQRPNML-LSDHHAIUSA-N 1 0 368.359 3.736 20 5 FHBDRO CC(C)(C)[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000179400708 939138125 /nfs/dbraw/zinc/13/81/25/939138125.db2.gz PVALYJRYJTVIHX-UHFFFAOYSA-N 1 0 373.478 3.864 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000179484932 939173443 /nfs/dbraw/zinc/17/34/43/939173443.db2.gz QFPSDVMFMLSLQO-UHFFFAOYSA-N 1 0 373.497 3.904 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCc2cc(OC)ccc2C1 ZINC000612194007 939220325 /nfs/dbraw/zinc/22/03/25/939220325.db2.gz CWKZBDASYNYLJN-QGZVFWFLSA-N 1 0 356.422 3.649 20 5 FHBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000437356058 945268906 /nfs/dbraw/zinc/26/89/06/945268906.db2.gz WGDJYRFYPUUNEP-CABCVRRESA-N 1 0 358.394 3.676 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@]3(CO)CCc4ccccc43)o2)c1 ZINC000135900212 939912218 /nfs/dbraw/zinc/91/22/18/939912218.db2.gz JGWBFKFEFDGZRA-NRFANRHFSA-N 1 0 364.401 3.778 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)cc1 ZINC000518275136 945281009 /nfs/dbraw/zinc/28/10/09/945281009.db2.gz FAYVFNSHADIIGJ-UHFFFAOYSA-N 1 0 356.813 3.971 20 5 FHBDRO CC(C)Oc1cccc([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000179675026 939917515 /nfs/dbraw/zinc/91/75/15/939917515.db2.gz FFJNSEDQYZLWLE-HNNXBMFYSA-N 1 0 371.437 3.696 20 5 FHBDRO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cccn2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179704141 939924188 /nfs/dbraw/zinc/92/41/88/939924188.db2.gz LOBYWDGPYKAEKC-LJQANCHMSA-N 1 0 365.437 3.671 20 5 FHBDRO CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccc(F)cc1 ZINC000053088524 939963352 /nfs/dbraw/zinc/96/33/52/939963352.db2.gz NSPGKMATUHSSQO-AWEZNQCLSA-N 1 0 359.401 3.780 20 5 FHBDRO CCOc1cc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000365196605 940080307 /nfs/dbraw/zinc/08/03/07/940080307.db2.gz AYYLPXNPHYMJOE-XLIONFOSSA-N 1 0 356.422 3.861 20 5 FHBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000365308327 940120627 /nfs/dbraw/zinc/12/06/27/940120627.db2.gz KYMHQKZGWGSABL-CQSZACIVSA-N 1 0 365.499 3.652 20 5 FHBDRO CCOC(=O)C1CCC([N@H+](CC)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000548939492 940144706 /nfs/dbraw/zinc/14/47/06/940144706.db2.gz GKMBAFPTIDKILB-UHFFFAOYSA-N 1 0 364.442 3.547 20 5 FHBDRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000179955212 940168945 /nfs/dbraw/zinc/16/89/45/940168945.db2.gz UWFHWTFXYXQHEJ-GOSISDBHSA-N 1 0 362.451 3.629 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000111054945 945306054 /nfs/dbraw/zinc/30/60/54/945306054.db2.gz IJQSRCOEGKFGJD-LSDHHAIUSA-N 1 0 363.458 3.736 20 5 FHBDRO COc1ccc(C[NH2+]Cc2cccc(Br)c2C)cc1[N+](=O)[O-] ZINC000580212530 940470162 /nfs/dbraw/zinc/47/01/62/940470162.db2.gz OTYAJZSXIZLCLX-UHFFFAOYSA-N 1 0 365.227 3.964 20 5 FHBDRO C[C@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000580273549 940471584 /nfs/dbraw/zinc/47/15/84/940471584.db2.gz CSRBORKKQZGQJF-YJBOKZPZSA-N 1 0 371.437 3.635 20 5 FHBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1c(Br)cc(Cl)cc1[N+](=O)[O-] ZINC001218031642 940475139 /nfs/dbraw/zinc/47/51/39/940475139.db2.gz RAQLIGALDTXGAO-UFBFGSQYSA-N 1 0 363.639 3.778 20 5 FHBDRO Cn1ncc2ccc(C[NH2+][C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)cc21 ZINC000580807917 940488097 /nfs/dbraw/zinc/48/80/97/940488097.db2.gz DYRLBMKBDOCAJN-GOSISDBHSA-N 1 0 350.422 3.994 20 5 FHBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](O)CC2)ccc1Oc1ccc(F)cc1 ZINC000581623601 940508457 /nfs/dbraw/zinc/50/84/57/940508457.db2.gz UIBGLNSMFYFEMS-INIZCTEOSA-N 1 0 360.385 3.873 20 5 FHBDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000582328339 940666409 /nfs/dbraw/zinc/66/64/09/940666409.db2.gz UYAAYUZSPXUCNC-FQEVSTJZSA-N 1 0 374.437 3.848 20 5 FHBDRO CC[NH+](CC)[C@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000111102570 945340215 /nfs/dbraw/zinc/34/02/15/945340215.db2.gz GVCDMMUYYPISCY-KXBFYZLASA-N 1 0 355.438 3.855 20 5 FHBDRO COc1cc(C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)ccc1[N+](=O)[O-] ZINC000540911489 940756344 /nfs/dbraw/zinc/75/63/44/940756344.db2.gz BJIVMHFCBGXGRS-CYBMUJFWSA-N 1 0 369.421 3.803 20 5 FHBDRO C[C@]1([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCCc2ccccc21 ZINC000540906673 940757575 /nfs/dbraw/zinc/75/75/75/940757575.db2.gz CSURHBQSHUAKAK-FQEVSTJZSA-N 1 0 354.406 3.803 20 5 FHBDRO CCC[C@@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000310826846 940907017 /nfs/dbraw/zinc/90/70/17/940907017.db2.gz IFUHWGNQOMQPNX-XJKSGUPXSA-N 1 0 351.447 3.939 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]Cc1nnc(C2CC2)s1 ZINC000414321513 940961521 /nfs/dbraw/zinc/96/15/21/940961521.db2.gz FDEVSZVQKJRVFD-HIFRSBDPSA-N 1 0 358.467 3.825 20 5 FHBDRO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000414338946 941000341 /nfs/dbraw/zinc/00/03/41/941000341.db2.gz LECBEWFWBFHWTP-DSLXNQLJSA-N 1 0 370.453 3.677 20 5 FHBDRO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000414338949 941000385 /nfs/dbraw/zinc/00/03/85/941000385.db2.gz LECBEWFWBFHWTP-GDAAHCPNSA-N 1 0 370.453 3.677 20 5 FHBDRO C[C@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000180417925 941004507 /nfs/dbraw/zinc/00/45/07/941004507.db2.gz SZCOZUCOGWNZPW-VBKZILBWSA-N 1 0 353.422 3.513 20 5 FHBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC)cc1 ZINC000180420810 941009844 /nfs/dbraw/zinc/00/98/44/941009844.db2.gz PHCXZGTWEKFBDH-SCLBCKFNSA-N 1 0 357.410 3.671 20 5 FHBDRO Cc1ccc([C@@H](C)NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000180435086 941014176 /nfs/dbraw/zinc/01/41/76/941014176.db2.gz WEMMMNREEXUKJM-JKSUJKDBSA-N 1 0 355.438 3.740 20 5 FHBDRO Cc1ccc([C@@H](C)NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000180435121 941014345 /nfs/dbraw/zinc/01/43/45/941014345.db2.gz WEMMMNREEXUKJM-HZPDHXFCSA-N 1 0 355.438 3.740 20 5 FHBDRO CCN(C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(F)cc1 ZINC000180446762 941017714 /nfs/dbraw/zinc/01/77/14/941017714.db2.gz OWIGCYAXZYAWJL-GJZGRUSLSA-N 1 0 373.428 3.994 20 5 FHBDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000176579862 941062250 /nfs/dbraw/zinc/06/22/50/941062250.db2.gz NTNPXKOKJFSYJF-APWZRJJASA-N 1 0 367.449 3.686 20 5 FHBDRO C[NH+](C)CCOc1cc(NCc2nccc3ccccc32)ccc1[N+](=O)[O-] ZINC001167703107 941075839 /nfs/dbraw/zinc/07/58/39/941075839.db2.gz SKHTZGVQZGTCHE-UHFFFAOYSA-N 1 0 366.421 3.696 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177075176 941096931 /nfs/dbraw/zinc/09/69/31/941096931.db2.gz RGDMYNOVRCCCPY-JKSUJKDBSA-N 1 0 372.469 3.822 20 5 FHBDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000189395635 941157035 /nfs/dbraw/zinc/15/70/35/941157035.db2.gz OQOIQSLBDLROAK-QWHCGFSZSA-N 1 0 361.467 3.841 20 5 FHBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000189483562 941158959 /nfs/dbraw/zinc/15/89/59/941158959.db2.gz IXHUECBZAHJSRV-DOTOQJQBSA-N 1 0 365.499 3.886 20 5 FHBDRO CCS[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000189483615 941158996 /nfs/dbraw/zinc/15/89/96/941158996.db2.gz IXHUECBZAHJSRV-WBVHZDCISA-N 1 0 365.499 3.886 20 5 FHBDRO CC(C)CCSc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000236602079 941221431 /nfs/dbraw/zinc/22/14/31/941221431.db2.gz XPSPPJPIYRGQIT-UKRRQHHQSA-N 1 0 365.499 3.685 20 5 FHBDRO Cc1c(C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000311314057 941233107 /nfs/dbraw/zinc/23/31/07/941233107.db2.gz AHXKQOXOWLLGOO-HZPDHXFCSA-N 1 0 363.458 3.686 20 5 FHBDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000181441903 941255315 /nfs/dbraw/zinc/25/53/15/941255315.db2.gz MEGSKAOYZKBGJU-ZDUSSCGKSA-N 1 0 371.466 3.882 20 5 FHBDRO CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311464362 941301720 /nfs/dbraw/zinc/30/17/20/941301720.db2.gz MUGQGEPPJRMSNN-MRXNPFEDSA-N 1 0 373.840 3.595 20 5 FHBDRO CCc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000181480981 941330875 /nfs/dbraw/zinc/33/08/75/941330875.db2.gz GWUZLWIVVRXCMB-PBHICJAKSA-N 1 0 359.470 3.540 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000414535460 941375600 /nfs/dbraw/zinc/37/56/00/941375600.db2.gz IFCIUJJEACTACA-FQEVSTJZSA-N 1 0 370.449 3.523 20 5 FHBDRO Cc1c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000311833356 941392808 /nfs/dbraw/zinc/39/28/08/941392808.db2.gz MBFAPWVAIQSNPG-CJNGLKHVSA-N 1 0 363.458 3.638 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000377185971 941542218 /nfs/dbraw/zinc/54/22/18/941542218.db2.gz UWGQXEHJZIMHDZ-SJLPKXTDSA-N 1 0 367.449 3.544 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cs2)c1 ZINC000415055776 941575833 /nfs/dbraw/zinc/57/58/33/941575833.db2.gz RJZSCDLREDRFHX-CRAIPNDOSA-N 1 0 372.494 3.682 20 5 FHBDRO C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)[C@@H](C)C[NH2+]1 ZINC000415183907 941657896 /nfs/dbraw/zinc/65/78/96/941657896.db2.gz CQDWNKQUSCWMPQ-KBPBESRZSA-N 1 0 370.409 3.601 20 5 FHBDRO C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)[C@H](C)C[NH2+]1 ZINC000415183910 941657935 /nfs/dbraw/zinc/65/79/35/941657935.db2.gz CQDWNKQUSCWMPQ-ZIAGYGMSSA-N 1 0 370.409 3.601 20 5 FHBDRO O=C(c1cc2ccccc2c2cccnc12)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000377342699 941661053 /nfs/dbraw/zinc/66/10/53/941661053.db2.gz BEULHZUMGLQVTJ-OAQYLSRUSA-N 1 0 359.473 3.992 20 5 FHBDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000415190102 941664350 /nfs/dbraw/zinc/66/43/50/941664350.db2.gz HKHJCROLERRHLO-OAHLLOKOSA-N 1 0 370.409 3.603 20 5 FHBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000415190691 941665075 /nfs/dbraw/zinc/66/50/75/941665075.db2.gz IPXONKVMSJFKEC-ZIAGYGMSSA-N 1 0 370.409 3.588 20 5 FHBDRO [NH3+][C@H]1CCC[C@H](NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000415191312 941665607 /nfs/dbraw/zinc/66/56/07/941665607.db2.gz JSRDGEBMJVTQHN-KBPBESRZSA-N 1 0 370.409 3.779 20 5 FHBDRO [NH3+]CC1(NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CCCC1 ZINC000415200615 941669547 /nfs/dbraw/zinc/66/95/47/941669547.db2.gz XKYRBSUYBALDGB-UHFFFAOYSA-N 1 0 370.409 3.780 20 5 FHBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000549227262 941678867 /nfs/dbraw/zinc/67/88/67/941678867.db2.gz DDBGLDSEBFYKAZ-UXHICEINSA-N 1 0 368.433 3.909 20 5 FHBDRO CC[C@@H](Cc1ccccc1)[N@H+](CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000120679143 941764612 /nfs/dbraw/zinc/76/46/12/941764612.db2.gz LCBITXOUYRDZHO-SFHVURJKSA-N 1 0 355.438 3.537 20 5 FHBDRO CC[NH+](CC)[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])c1ccsc1 ZINC000513179662 941773320 /nfs/dbraw/zinc/77/33/20/941773320.db2.gz UFCPVYKDWOGIAG-LBPRGKRZSA-N 1 0 365.484 3.861 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000182351036 941815801 /nfs/dbraw/zinc/81/58/01/941815801.db2.gz JOBBABFBECUIBP-CQSZACIVSA-N 1 0 357.410 3.591 20 5 FHBDRO COCc1ccccc1/C=C(\C)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000513291200 941831431 /nfs/dbraw/zinc/83/14/31/941831431.db2.gz HKYUUOHXTBKEKT-DTQAZKPQSA-N 1 0 370.453 3.678 20 5 FHBDRO CC(C)c1nnc([C@@H]2CC23CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC3)o1 ZINC000377614329 941840219 /nfs/dbraw/zinc/84/02/19/941840219.db2.gz HTSYOKCPQDVNHA-KRWDZBQOSA-N 1 0 370.453 3.913 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000415489108 941855970 /nfs/dbraw/zinc/85/59/70/941855970.db2.gz WJVZGBWFBJCCMN-UHFFFAOYSA-N 1 0 356.426 3.595 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000415506756 941862509 /nfs/dbraw/zinc/86/25/09/941862509.db2.gz RYADNYCPCAUXSN-KRWDZBQOSA-N 1 0 356.426 3.848 20 5 FHBDRO Cc1cc(N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000433788363 941897885 /nfs/dbraw/zinc/89/78/85/941897885.db2.gz FESROQLKMSHUMU-BDJLRTHQSA-N 1 0 369.343 3.591 20 5 FHBDRO Cc1ccc([C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2C)[NH+]2CCCC2)o1 ZINC000101738528 942012072 /nfs/dbraw/zinc/01/20/72/942012072.db2.gz KZMLCWUBNOGVHH-KRWDZBQOSA-N 1 0 372.425 3.763 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000415733122 942027911 /nfs/dbraw/zinc/02/79/11/942027911.db2.gz ARPQNCWHKHIKEI-YJBOKZPZSA-N 1 0 360.458 3.543 20 5 FHBDRO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000513662651 942071931 /nfs/dbraw/zinc/07/19/31/942071931.db2.gz YGOPVIXAQXMFMV-QUCCMNQESA-N 1 0 362.433 3.565 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2noc(-c3cccc(C[NH+]4CCCCC4)c3)n2)o1 ZINC000420501553 942084617 /nfs/dbraw/zinc/08/46/17/942084617.db2.gz PARAMZFJKVYXOO-UHFFFAOYSA-N 1 0 354.366 3.891 20 5 FHBDRO Cc1ccc([C@]2(C)CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000501875669 942099163 /nfs/dbraw/zinc/09/91/63/942099163.db2.gz SAMLZIHXWIZWIM-OAQYLSRUSA-N 1 0 367.449 3.895 20 5 FHBDRO C[NH2+]Cc1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000415967301 942206624 /nfs/dbraw/zinc/20/66/24/942206624.db2.gz BDOQZXJPTROGQP-UHFFFAOYSA-N 1 0 356.426 3.757 20 5 FHBDRO C[NH2+]Cc1ccc(NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000415986597 942229035 /nfs/dbraw/zinc/22/90/35/942229035.db2.gz VBMXIELQPPELPY-KRWDZBQOSA-N 1 0 368.437 3.726 20 5 FHBDRO Cc1c(NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000103232860 942237273 /nfs/dbraw/zinc/23/72/73/942237273.db2.gz MOGWSLRILWUVBD-QGZVFWFLSA-N 1 0 374.485 3.879 20 5 FHBDRO Cc1c(NC(=O)CC[N@@H+](C)C2CC(OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000421020713 942308188 /nfs/dbraw/zinc/30/81/88/942308188.db2.gz ZZDDJCZFXDMECQ-UHFFFAOYSA-N 1 0 363.458 3.510 20 5 FHBDRO C[NH+](C)[C@@H](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000431856396 942316977 /nfs/dbraw/zinc/31/69/77/942316977.db2.gz JAZGBOPGUHZODL-FQEVSTJZSA-N 1 0 367.449 3.779 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000481090155 942327427 /nfs/dbraw/zinc/32/74/27/942327427.db2.gz JEMXGZXPZNUMHG-YDHLFZDLSA-N 1 0 363.458 3.735 20 5 FHBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000366759334 942328010 /nfs/dbraw/zinc/32/80/10/942328010.db2.gz SMVIAHYJBJQMJX-GOSISDBHSA-N 1 0 367.449 3.722 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000481090284 942328108 /nfs/dbraw/zinc/32/81/08/942328108.db2.gz JVORJTHQALSUBE-ZFWWWQNUSA-N 1 0 363.458 3.736 20 5 FHBDRO C[C@H]([NH2+][C@@H](C)c1cccc(O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000181581606 942342277 /nfs/dbraw/zinc/34/22/77/942342277.db2.gz SHISUKSRBWOGEL-QWRGUYRKSA-N 1 0 363.801 3.632 20 5 FHBDRO C[C@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000413153665 942351979 /nfs/dbraw/zinc/35/19/79/942351979.db2.gz HUWJUKVEAKEMKX-GOEBONIOSA-N 1 0 358.417 3.618 20 5 FHBDRO C[NH+](C)C1CCC(NC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000421118261 942355196 /nfs/dbraw/zinc/35/51/96/942355196.db2.gz YMBDOQOQLWHZEE-UHFFFAOYSA-N 1 0 362.474 3.887 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000502311264 942359303 /nfs/dbraw/zinc/35/93/03/942359303.db2.gz SWBSJTMFHJQLLT-QGZVFWFLSA-N 1 0 354.454 3.816 20 5 FHBDRO CN(CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000237167102 942362065 /nfs/dbraw/zinc/36/20/65/942362065.db2.gz VSGJONXFSMNVNI-UHFFFAOYSA-N 1 0 368.462 3.944 20 5 FHBDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000366458970 942376536 /nfs/dbraw/zinc/37/65/36/942376536.db2.gz VJOYUJVXKTXUDM-ZDUSSCGKSA-N 1 0 373.478 3.898 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1C ZINC001269735154 942444835 /nfs/dbraw/zinc/44/48/35/942444835.db2.gz VEQPAWBJGYQXCX-DNVCBOLYSA-N 1 0 355.438 3.633 20 5 FHBDRO CCCC[NH+]1CCC(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000501416867 942458438 /nfs/dbraw/zinc/45/84/38/942458438.db2.gz JYAQICYHKPXTGY-UHFFFAOYSA-N 1 0 361.486 3.887 20 5 FHBDRO CCCC[NH+](CCCC)CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC001167732949 942466136 /nfs/dbraw/zinc/46/61/36/942466136.db2.gz JUYHQMYDIUAUJL-UHFFFAOYSA-N 1 0 351.476 3.914 20 5 FHBDRO COc1ccc(C[C@@](C)([NH3+])CNc2nccc3ccc([N+](=O)[O-])cc32)cc1 ZINC000413201949 942484426 /nfs/dbraw/zinc/48/44/26/942484426.db2.gz KZHNSDSVRFPKSV-HXUWFJFHSA-N 1 0 366.421 3.524 20 5 FHBDRO CSc1ccc(C(=O)NCC2([NH+](C)C)CCCCCC2)cc1[N+](=O)[O-] ZINC000024583421 942502209 /nfs/dbraw/zinc/50/22/09/942502209.db2.gz GDZVTQKVIFPACQ-UHFFFAOYSA-N 1 0 365.499 3.701 20 5 FHBDRO CSc1ccccc1[C@@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000501549094 942532126 /nfs/dbraw/zinc/53/21/26/942532126.db2.gz HWBWDTNTHHNZID-CYBMUJFWSA-N 1 0 371.462 3.557 20 5 FHBDRO CC[C@@H](C)C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000421392136 942543675 /nfs/dbraw/zinc/54/36/75/942543675.db2.gz XGKDEDBIWGJOBP-SNVBAGLBSA-N 1 0 350.337 3.680 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(c2ccccc2)CCC1 ZINC000104665174 942565888 /nfs/dbraw/zinc/56/58/88/942565888.db2.gz VMNTZEZZSUKBRS-UHFFFAOYSA-N 1 0 353.422 3.901 20 5 FHBDRO C[N@H+](CCOc1ccccc1)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104661932 942566700 /nfs/dbraw/zinc/56/67/00/942566700.db2.gz RWRCTQUWWHNOLM-UHFFFAOYSA-N 1 0 367.405 3.803 20 5 FHBDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000366976550 942620257 /nfs/dbraw/zinc/62/02/57/942620257.db2.gz PDMCYSNTRRSCQA-MRXNPFEDSA-N 1 0 352.394 3.756 20 5 FHBDRO Cc1cc(Cl)c(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001167946007 942661800 /nfs/dbraw/zinc/66/18/00/942661800.db2.gz NOZCWJKRBNXDNF-ZDUSSCGKSA-N 1 0 371.865 3.808 20 5 FHBDRO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000434621145 942793646 /nfs/dbraw/zinc/79/36/46/942793646.db2.gz POBVPDGIWNIWFC-SFHVURJKSA-N 1 0 359.401 3.662 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000502876164 942807549 /nfs/dbraw/zinc/80/75/49/942807549.db2.gz HDZYSXZIOXDCSZ-UHFFFAOYSA-N 1 0 371.412 3.738 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000421770952 942814305 /nfs/dbraw/zinc/81/43/05/942814305.db2.gz LDFSHFZDLGRBKQ-MSOLQXFVSA-N 1 0 373.497 3.938 20 5 FHBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000544110073 942843731 /nfs/dbraw/zinc/84/37/31/942843731.db2.gz JVFFXAJTHKJNBN-CHWSQXEVSA-N 1 0 351.834 3.863 20 5 FHBDRO CC[C@H]([NH2+]CCNc1cc(OC)cc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000181604973 942864511 /nfs/dbraw/zinc/86/45/11/942864511.db2.gz KJGGKRRMJYXBFJ-IBGZPJMESA-N 1 0 359.426 3.765 20 5 FHBDRO CC[N@@H+]1CCC[C@@H](Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000584449863 942923153 /nfs/dbraw/zinc/92/31/53/942923153.db2.gz LDKRXMHVQDAHHV-SECBINFHSA-N 1 0 368.306 3.540 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3CCCC[N@@H+]3C3CC3)cs2)c1 ZINC000434782729 942961704 /nfs/dbraw/zinc/96/17/04/942961704.db2.gz DNKHFCZPYJOEQX-GOSISDBHSA-N 1 0 372.494 3.825 20 5 FHBDRO CCc1ccc([C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)[NH+](C)C)cc1 ZINC000514510982 943073301 /nfs/dbraw/zinc/07/33/01/943073301.db2.gz HWIVBTXYHVJJIB-LJQANCHMSA-N 1 0 370.453 3.890 20 5 FHBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000503371504 943145402 /nfs/dbraw/zinc/14/54/02/943145402.db2.gz BRNLQBACBQSYLB-MRXNPFEDSA-N 1 0 370.453 3.516 20 5 FHBDRO C[C@H](COCC(F)(F)F)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513787171 943158352 /nfs/dbraw/zinc/15/83/52/943158352.db2.gz USSDQYMYUPZEGJ-UMVBOHGHSA-N 1 0 360.376 3.863 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCC4(CC[NH2+]4)CC3)o2)c(Cl)c1 ZINC000422564965 943183973 /nfs/dbraw/zinc/18/39/73/943183973.db2.gz XEBAERJOJPHLPZ-UHFFFAOYSA-N 1 0 361.829 3.836 20 5 FHBDRO CCc1ccc([C@@H](NC[C@]2(C)CCC[NH2+]C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423344972 943478486 /nfs/dbraw/zinc/47/84/86/943478486.db2.gz OPZCETKBCAPYEP-VQTJNVASSA-N 1 0 357.454 3.819 20 5 FHBDRO CC[C@H](N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000423328551 943481399 /nfs/dbraw/zinc/48/13/99/943481399.db2.gz KUVQLFDOSNGKIR-ACRUOGEOSA-N 1 0 369.465 3.790 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cncn3)cc1)CCCC2 ZINC000417302145 943496020 /nfs/dbraw/zinc/49/60/20/943496020.db2.gz CCRYMYNVZOXJKS-FQEVSTJZSA-N 1 0 363.421 3.733 20 5 FHBDRO CC(C)(C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)C1(O)CCOCC1 ZINC000417383912 943561012 /nfs/dbraw/zinc/56/10/12/943561012.db2.gz PMXYANPHTQCJHE-GOSISDBHSA-N 1 0 362.470 3.520 20 5 FHBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@@H]2CCN(CC(F)F)C2)c2ccccc2)c1 ZINC000417389987 943567452 /nfs/dbraw/zinc/56/74/52/943567452.db2.gz QEDBRSSUOVWECR-APWZRJJASA-N 1 0 361.392 3.613 20 5 FHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000566476023 943571705 /nfs/dbraw/zinc/57/17/05/943571705.db2.gz SCDXEGUKPSNJTM-PJODQICGSA-N 1 0 358.360 3.655 20 5 FHBDRO CC(C)c1ccc(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000423627412 943583285 /nfs/dbraw/zinc/58/32/85/943583285.db2.gz HKXCOSOEBNUCRK-UHFFFAOYSA-N 1 0 357.385 3.755 20 5 FHBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000423740837 943613754 /nfs/dbraw/zinc/61/37/54/943613754.db2.gz JGYOJFXKRBTONJ-UONOGXRCSA-N 1 0 371.462 3.603 20 5 FHBDRO CC(C)CCSc1ccc(C(=O)N(C)[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423949267 943654115 /nfs/dbraw/zinc/65/41/15/943654115.db2.gz LTKXZSNIPCOBQR-MRXNPFEDSA-N 1 0 365.499 3.542 20 5 FHBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423970414 943661325 /nfs/dbraw/zinc/66/13/25/943661325.db2.gz MVJGODBZYVTBRT-KDOFPFPSSA-N 1 0 373.478 3.672 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000504591729 943703202 /nfs/dbraw/zinc/70/32/02/943703202.db2.gz JOTWUUMGKWQYFQ-KBPBESRZSA-N 1 0 365.499 3.652 20 5 FHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@]1(F)c1ccccc1 ZINC000424331262 943848185 /nfs/dbraw/zinc/84/81/85/943848185.db2.gz RXDXUDAVWNGGBL-FMEYXAORSA-N 1 0 357.385 3.539 20 5 FHBDRO CC1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[NH+](Cc2ccccc2)C1 ZINC000366639403 943856192 /nfs/dbraw/zinc/85/61/92/943856192.db2.gz ILZPDKCINQUCJF-UHFFFAOYSA-N 1 0 373.840 3.500 20 5 FHBDRO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000424348392 943856420 /nfs/dbraw/zinc/85/64/20/943856420.db2.gz KSNPGLVPJSRGDQ-SCTDSRPQSA-N 1 0 354.454 3.976 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000504894640 943891875 /nfs/dbraw/zinc/89/18/75/943891875.db2.gz NGYUEGJBIJHNQG-APWZRJJASA-N 1 0 369.465 3.919 20 5 FHBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000417821763 943896245 /nfs/dbraw/zinc/89/62/45/943896245.db2.gz DZMGQTDSYLALBZ-MOPGFXCFSA-N 1 0 370.453 3.608 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000504899830 943897337 /nfs/dbraw/zinc/89/73/37/943897337.db2.gz MZXCCXJKONFYAO-GFOFROLCSA-N 1 0 350.484 3.869 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](Cc2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000504912354 943908563 /nfs/dbraw/zinc/90/85/63/943908563.db2.gz VBRAGELXKYYOQT-VQIMIIECSA-N 1 0 371.481 3.817 20 5 FHBDRO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3cccc([N+](=O)[O-])c3)CCC[C@@H]12 ZINC000711650239 943940003 /nfs/dbraw/zinc/94/00/03/943940003.db2.gz ZUMOZBINOUTRBO-APWZRJJASA-N 1 0 361.442 3.617 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000515510824 943943398 /nfs/dbraw/zinc/94/33/98/943943398.db2.gz WSSKCTVTPHNEOE-UHFFFAOYSA-N 1 0 361.486 3.691 20 5 FHBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](C)C(C)C ZINC000120273586 943958152 /nfs/dbraw/zinc/95/81/52/943958152.db2.gz HWYMNEPXEBRRSP-NSHDSACASA-N 1 0 372.263 3.662 20 5 FHBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000515537890 943972213 /nfs/dbraw/zinc/97/22/13/943972213.db2.gz XYRJZULCHQVDOY-UHFFFAOYSA-N 1 0 363.433 3.605 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1 ZINC000511645233 943992595 /nfs/dbraw/zinc/99/25/95/943992595.db2.gz FXOAJAGLMSSOBW-QHAWAJNXSA-N 1 0 352.434 3.642 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000511645709 944001917 /nfs/dbraw/zinc/00/19/17/944001917.db2.gz GXTWPSXOPTZQFT-AABGKKOBSA-N 1 0 368.433 3.608 20 5 FHBDRO COc1cccc([C@H](CNc2ncc([N+](=O)[O-])cc2C)[NH+]2CCCC2)c1 ZINC000092582880 944027032 /nfs/dbraw/zinc/02/70/32/944027032.db2.gz ZRJNVUMEVQGDCH-SFHVURJKSA-N 1 0 356.426 3.556 20 5 FHBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000425463860 944027830 /nfs/dbraw/zinc/02/78/30/944027830.db2.gz YTLPLEQESZLDTB-ZYHUDNBSSA-N 1 0 365.174 3.607 20 5 FHBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000425463266 944029187 /nfs/dbraw/zinc/02/91/87/944029187.db2.gz VYXGMOWFRBFBRG-INIZCTEOSA-N 1 0 362.227 3.993 20 5 FHBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000500069611 944052879 /nfs/dbraw/zinc/05/28/79/944052879.db2.gz ISDZTBXJDGBVPP-RHSMWYFYSA-N 1 0 357.410 3.990 20 5 FHBDRO O=C(CC[N@H+](CCc1cccc(F)c1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000500088658 944076036 /nfs/dbraw/zinc/07/60/36/944076036.db2.gz FFVNNENRUBGENW-UHFFFAOYSA-N 1 0 371.412 3.770 20 5 FHBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000500092036 944082848 /nfs/dbraw/zinc/08/28/48/944082848.db2.gz ORLYEKBBWJANKZ-CQSZACIVSA-N 1 0 357.410 3.712 20 5 FHBDRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500113232 944128554 /nfs/dbraw/zinc/12/85/54/944128554.db2.gz FPNQWWITSFDMRB-WMZOPIPTSA-N 1 0 367.449 3.877 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436261787 944154137 /nfs/dbraw/zinc/15/41/37/944154137.db2.gz KRGOXLYGZIVXOR-QGZVFWFLSA-N 1 0 360.458 3.822 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCN(CC(F)F)C3)s2)cc1 ZINC000418127744 944180927 /nfs/dbraw/zinc/18/09/27/944180927.db2.gz AJZPRQSRGZYPDV-ZDUSSCGKSA-N 1 0 367.421 3.752 20 5 FHBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CC)CSc2ccccc2[N+](=O)[O-])C1 ZINC000436304209 944187784 /nfs/dbraw/zinc/18/77/84/944187784.db2.gz XLHFDMLWWPLTDK-ILXRZTDVSA-N 1 0 366.483 3.787 20 5 FHBDRO C[C@@H]1CCC[N@H+](CCCCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436324204 944201445 /nfs/dbraw/zinc/20/14/45/944201445.db2.gz VBXDNHDNUIIDGI-GFCCVEGCSA-N 1 0 360.380 3.933 20 5 FHBDRO Nc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414917758 944213014 /nfs/dbraw/zinc/21/30/14/944213014.db2.gz RFNHTGGSGNMSGY-MRXNPFEDSA-N 1 0 363.364 3.946 20 5 FHBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436398549 944274700 /nfs/dbraw/zinc/27/47/00/944274700.db2.gz GDMCOIFDBFABEE-GFCCVEGCSA-N 1 0 360.380 3.789 20 5 FHBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCc1ccc(Cl)cc1 ZINC000500238651 944311087 /nfs/dbraw/zinc/31/10/87/944311087.db2.gz UYKJPXKMRFMYIO-UHFFFAOYSA-N 1 0 361.829 3.751 20 5 FHBDRO CC1(C)C[C@H](c2ccccc2)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000425550471 944317583 /nfs/dbraw/zinc/31/75/83/944317583.db2.gz ZKJWDYUZXCUNNA-GOSISDBHSA-N 1 0 353.422 3.667 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)c3cnn(C)c3C)o2)c([N+](=O)[O-])c1 ZINC000517538218 944368418 /nfs/dbraw/zinc/36/84/18/944368418.db2.gz UDDCTVMYRMCPNT-GFCCVEGCSA-N 1 0 370.409 3.756 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCCc4ccc(O)cc43)c2c1 ZINC000518456213 944408726 /nfs/dbraw/zinc/40/87/26/944408726.db2.gz CCGUPUFUNFDPFL-IBGZPJMESA-N 1 0 351.406 3.991 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000439214365 944443414 /nfs/dbraw/zinc/44/34/14/944443414.db2.gz XZMYOSDABRGHFR-UHFFFAOYSA-N 1 0 353.850 3.551 20 5 FHBDRO C[C@@H]1CCC[C@](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)([NH+](C)C)C1 ZINC000518525261 944471069 /nfs/dbraw/zinc/47/10/69/944471069.db2.gz OIJWWPNOOXJDQR-PXAZEXFGSA-N 1 0 368.865 3.880 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+]CCc2cc(F)cc3c2OCOC3)cc1[N+](=O)[O-] ZINC000120692993 944489510 /nfs/dbraw/zinc/48/95/10/944489510.db2.gz DQBSYHCFQSGJDW-CYBMUJFWSA-N 1 0 360.385 3.802 20 5 FHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCCCC[NH+]2CCCCC2)c1 ZINC000110439533 944495719 /nfs/dbraw/zinc/49/57/19/944495719.db2.gz BFFZLNGDGHEWFG-UHFFFAOYSA-N 1 0 365.499 3.703 20 5 FHBDRO Cc1nc2ccc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2s1 ZINC000425988118 944538783 /nfs/dbraw/zinc/53/87/83/944538783.db2.gz DUOMPXMJYRZISF-UHFFFAOYSA-N 1 0 357.439 3.547 20 5 FHBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843757858 944544437 /nfs/dbraw/zinc/54/44/37/944544437.db2.gz GLYSAEDMRVVVMU-UHFFFAOYSA-N 1 0 373.428 3.814 20 5 FHBDRO CC[NH+](CC)[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1ccsc1 ZINC000541576555 944567879 /nfs/dbraw/zinc/56/78/79/944567879.db2.gz NJYHKULFXXQJQZ-INIZCTEOSA-N 1 0 371.466 3.516 20 5 FHBDRO COc1cc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c(F)cn1 ZINC000517768895 944577049 /nfs/dbraw/zinc/57/70/49/944577049.db2.gz TURCUMUDPBRMTQ-SNVBAGLBSA-N 1 0 353.781 3.684 20 5 FHBDRO Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Br)cc1[N+](=O)[O-] ZINC000322698139 944578113 /nfs/dbraw/zinc/57/81/13/944578113.db2.gz LAOAPKCITHVIDR-YOGCLGLASA-N 1 0 354.248 3.703 20 5 FHBDRO C[C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000517796720 944622771 /nfs/dbraw/zinc/62/27/71/944622771.db2.gz QLQPKNCEVOLXDR-INIZCTEOSA-N 1 0 367.449 3.975 20 5 FHBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000066854078 944638433 /nfs/dbraw/zinc/63/84/33/944638433.db2.gz GZGVUSADDFLELD-CABCVRRESA-N 1 0 371.437 3.666 20 5 FHBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000518761160 944710278 /nfs/dbraw/zinc/71/02/78/944710278.db2.gz WWHQUNMCQLOJSH-GJZGRUSLSA-N 1 0 373.453 3.829 20 5 FHBDRO CC[NH+](CC)Cc1ccccc1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000015141655 944830539 /nfs/dbraw/zinc/83/05/39/944830539.db2.gz WPAGIMVNOGLTHF-UHFFFAOYSA-N 1 0 358.398 3.957 20 5 FHBDRO Cc1ccc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000506294903 944846990 /nfs/dbraw/zinc/84/69/90/944846990.db2.gz MDCCTZZTGLQBMG-UHFFFAOYSA-N 1 0 357.429 3.750 20 5 FHBDRO CCCNc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000516447967 944871517 /nfs/dbraw/zinc/87/15/17/944871517.db2.gz MIWBEAYYJMTTLF-ROUUACIJSA-N 1 0 357.458 3.887 20 5 FHBDRO CCCc1[nH]nc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1[N+](=O)[O-] ZINC000518891978 944896016 /nfs/dbraw/zinc/89/60/16/944896016.db2.gz VAVBBKCEDFDBTM-UHFFFAOYSA-N 1 0 371.441 3.509 20 5 FHBDRO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426880393 944901637 /nfs/dbraw/zinc/90/16/37/944901637.db2.gz BSOYDYXRXOKLEQ-IBGZPJMESA-N 1 0 367.405 3.952 20 5 FHBDRO Cc1c(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000487340943 944906901 /nfs/dbraw/zinc/90/69/01/944906901.db2.gz CJXJFPBNBNRDIU-FUHWJXTLSA-N 1 0 367.449 3.544 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH+](CCc2cccs2)CC1 ZINC000507064967 944926560 /nfs/dbraw/zinc/92/65/60/944926560.db2.gz PICCZPBWRACDIB-UTCJRWHESA-N 1 0 357.479 3.530 20 5 FHBDRO Cc1ccccc1[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000507176683 945007303 /nfs/dbraw/zinc/00/73/03/945007303.db2.gz DUSHDWASSINIBW-MRXNPFEDSA-N 1 0 364.405 3.943 20 5 FHBDRO Cc1ccccc1[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000507184185 945015231 /nfs/dbraw/zinc/01/52/31/945015231.db2.gz TUNIGVBABPUJAA-INIZCTEOSA-N 1 0 364.405 3.943 20 5 FHBDRO CN(c1ccccc1)c1ccc(C[NH+]2CCC(CO)CC2)cc1[N+](=O)[O-] ZINC000127046185 945395274 /nfs/dbraw/zinc/39/52/74/945395274.db2.gz PTSCOWCCYDPRIH-UHFFFAOYSA-N 1 0 355.438 3.567 20 5 FHBDRO COc1cc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000507671369 945422699 /nfs/dbraw/zinc/42/26/99/945422699.db2.gz ZRSBEUNRXGFOHA-MRXNPFEDSA-N 1 0 356.422 3.677 20 5 FHBDRO CC[C@H](C)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000507680290 945444777 /nfs/dbraw/zinc/44/47/77/945444777.db2.gz YULCVSQURXKUPR-INIZCTEOSA-N 1 0 355.438 3.858 20 5 FHBDRO CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000566922859 945478472 /nfs/dbraw/zinc/47/84/72/945478472.db2.gz AOSRDVBFLGCZBX-GOSISDBHSA-N 1 0 359.470 3.599 20 5 FHBDRO COc1cc(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000507712636 945485767 /nfs/dbraw/zinc/48/57/67/945485767.db2.gz DKKHMLMSLCVYIZ-OAHLLOKOSA-N 1 0 372.421 3.513 20 5 FHBDRO CC(C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000543505434 945506672 /nfs/dbraw/zinc/50/66/72/945506672.db2.gz IQKPKYNALYANBV-UHFFFAOYSA-N 1 0 353.831 3.773 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1OC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000760022389 945530191 /nfs/dbraw/zinc/53/01/91/945530191.db2.gz MBARQDDTIOFYCE-UHFFFAOYSA-N 1 0 354.406 3.721 20 5 FHBDRO C[C@H]1C[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)CC[N@@H+]1C ZINC001126494037 945644556 /nfs/dbraw/zinc/64/45/56/945644556.db2.gz YIJCDFTUAWVCHP-WMZOPIPTSA-N 1 0 367.449 3.858 20 5 FHBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181751158 945646860 /nfs/dbraw/zinc/64/68/60/945646860.db2.gz RNLQGEDKFMWKEN-IFXJQAMLSA-N 1 0 351.410 3.977 20 5 FHBDRO C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000519749582 945716033 /nfs/dbraw/zinc/71/60/33/945716033.db2.gz XJLXQNVITAPNQQ-APWZRJJASA-N 1 0 360.385 3.792 20 5 FHBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cc(Br)cs1 ZINC000107700091 945761281 /nfs/dbraw/zinc/76/12/81/945761281.db2.gz LZURYCXSYIJSOW-UHFFFAOYSA-N 1 0 371.256 3.930 20 5 FHBDRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000281734662 945832037 /nfs/dbraw/zinc/83/20/37/945832037.db2.gz OGZZFXPQVQRVHI-UHFFFAOYSA-N 1 0 363.461 3.652 20 5 FHBDRO COc1c(O)ccc(C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000894526212 945912016 /nfs/dbraw/zinc/91/20/16/945912016.db2.gz MDLWQQKPRDDPBE-TXEJJXNPSA-N 1 0 362.348 3.862 20 5 FHBDRO COc1ccc([C@H](CNc2cccc(OC)c2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000475451257 945989999 /nfs/dbraw/zinc/98/99/99/945989999.db2.gz IJFYHAAOIAWBLU-SFHVURJKSA-N 1 0 371.437 3.861 20 5 FHBDRO NC(=O)C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCCCC1 ZINC000549542734 945996562 /nfs/dbraw/zinc/99/65/62/945996562.db2.gz FUJALMQZDHQOKP-HNNXBMFYSA-N 1 0 373.375 3.528 20 5 FHBDRO C[C@H]1C[NH+](CCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H](C)O1 ZINC000108931076 946085839 /nfs/dbraw/zinc/08/58/39/946085839.db2.gz RWNXBGABIFRIRA-RYUDHWBXSA-N 1 0 361.364 3.525 20 5 FHBDRO Cc1c(NC(=O)CC[N@H+](Cc2ccccc2)C2CC2)cccc1[N+](=O)[O-] ZINC000109093959 946137490 /nfs/dbraw/zinc/13/74/90/946137490.db2.gz ISJNUDKBUJMHPO-UHFFFAOYSA-N 1 0 353.422 3.896 20 5 FHBDRO CC[C@@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000151778507 946225961 /nfs/dbraw/zinc/22/59/61/946225961.db2.gz FUEMQJPJOSGZOQ-CYBMUJFWSA-N 1 0 369.347 3.556 20 5 FHBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000843765695 946252878 /nfs/dbraw/zinc/25/28/78/946252878.db2.gz HJTTVSJEZHAWKT-QGZVFWFLSA-N 1 0 365.449 3.529 20 5 FHBDRO C[C@@]1(c2ccccc2)CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000438484261 946300173 /nfs/dbraw/zinc/30/01/73/946300173.db2.gz QMQBKBAMSMCTIG-HXUWFJFHSA-N 1 0 364.405 3.808 20 5 FHBDRO Cc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2C)[NH+]2CCCC2)cc1 ZINC000109505074 946319404 /nfs/dbraw/zinc/31/94/04/946319404.db2.gz WKRSPCHBBHJORB-FQEVSTJZSA-N 1 0 367.449 3.779 20 5 FHBDRO COCC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000127174302 946334899 /nfs/dbraw/zinc/33/48/99/946334899.db2.gz HLFHMUMDDQZUDW-UHFFFAOYSA-N 1 0 366.421 3.526 20 5 FHBDRO C[NH+](C)[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])c1cccc(F)c1 ZINC000111220740 946411558 /nfs/dbraw/zinc/41/15/58/946411558.db2.gz OFVDJMJSSVAFJK-GOSISDBHSA-N 1 0 354.385 3.997 20 5 FHBDRO C[NH+](C)[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])c1cccc(F)c1 ZINC000111220738 946411974 /nfs/dbraw/zinc/41/19/74/946411974.db2.gz OFVDJMJSSVAFJK-SFHVURJKSA-N 1 0 354.385 3.997 20 5 FHBDRO Cc1c(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000047957347 946470191 /nfs/dbraw/zinc/47/01/91/946470191.db2.gz XDEYSDFKFHPLSM-UHFFFAOYSA-N 1 0 359.470 3.518 20 5 FHBDRO CCOc1cc(N2CC[NH+](Cc3sccc3C)CC2)ccc1[N+](=O)[O-] ZINC000475499140 946499208 /nfs/dbraw/zinc/49/92/08/946499208.db2.gz YFVPXHZWBVTOPL-UHFFFAOYSA-N 1 0 361.467 3.686 20 5 FHBDRO COc1ccc2c(c1)nc(C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])n2C ZINC000186531058 946506468 /nfs/dbraw/zinc/50/64/68/946506468.db2.gz JWVBZALZVMCETP-AWEZNQCLSA-N 1 0 368.437 3.601 20 5 FHBDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000475158781 946528391 /nfs/dbraw/zinc/52/83/91/946528391.db2.gz NLXNLCZABWVWOE-HOTGVXAUSA-N 1 0 361.442 3.697 20 5 FHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000475155677 946532931 /nfs/dbraw/zinc/53/29/31/946532931.db2.gz OHFANWQZYBARLV-BPUTZDHNSA-N 1 0 363.458 3.735 20 5 FHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000475155678 946533115 /nfs/dbraw/zinc/53/31/15/946533115.db2.gz OHFANWQZYBARLV-CWRNSKLLSA-N 1 0 363.458 3.735 20 5 FHBDRO COc1ccc(OCC[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000441395901 946551541 /nfs/dbraw/zinc/55/15/41/946551541.db2.gz NYMUMGAJKCORBX-GDBMZVCRSA-N 1 0 374.412 3.999 20 5 FHBDRO Cc1cc(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000487386680 946564432 /nfs/dbraw/zinc/56/44/32/946564432.db2.gz HDOGKKOBVISNMI-LPHOPBHVSA-N 1 0 367.449 3.544 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000475555474 946640091 /nfs/dbraw/zinc/64/00/91/946640091.db2.gz MTDGSHQPTJPARP-QGZVFWFLSA-N 1 0 370.453 3.506 20 5 FHBDRO COC(=O)COc1ccc(C[N@H+](C(C)C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000475565910 946675466 /nfs/dbraw/zinc/67/54/66/946675466.db2.gz XUFUFOZWVDIPDZ-UHFFFAOYSA-N 1 0 364.442 3.690 20 5 FHBDRO COc1cc(C[NH2+]Cc2c(C)c3ccccc3n2C)c([N+](=O)[O-])cc1OC ZINC000475192804 946677404 /nfs/dbraw/zinc/67/74/04/946677404.db2.gz BZQIKXKAGBUXQP-UHFFFAOYSA-N 1 0 369.421 3.702 20 5 FHBDRO CCC1CCC([N@H+](C)Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000475581790 946747225 /nfs/dbraw/zinc/74/72/25/946747225.db2.gz HDLHUYSWUQBUIX-UHFFFAOYSA-N 1 0 364.442 3.547 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475285429 946821529 /nfs/dbraw/zinc/82/15/29/946821529.db2.gz LZXLIFPLZDEULR-FUKWUPMWSA-N 1 0 351.450 3.720 20 5 FHBDRO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)CCO2 ZINC000475289425 946827835 /nfs/dbraw/zinc/82/78/35/946827835.db2.gz AHKCWLUQTIXERJ-LIRRHRJNSA-N 1 0 374.462 3.703 20 5 FHBDRO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)CCO2 ZINC000475289420 946828101 /nfs/dbraw/zinc/82/81/01/946828101.db2.gz AHKCWLUQTIXERJ-AUUYWEPGSA-N 1 0 374.462 3.703 20 5 FHBDRO Cc1cc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc([N+](=O)[O-])c1 ZINC000148367112 946844764 /nfs/dbraw/zinc/84/47/64/946844764.db2.gz ZDMRZTURSSXOPV-UHFFFAOYSA-N 1 0 353.422 3.794 20 5 FHBDRO CCc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475319801 946852913 /nfs/dbraw/zinc/85/29/13/946852913.db2.gz IJSRVXLJRYQMEM-LJQANCHMSA-N 1 0 367.449 3.504 20 5 FHBDRO CCc1ccc([C@H](NCC2=CC[N@H+](C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544380643 946867673 /nfs/dbraw/zinc/86/76/73/946867673.db2.gz QYQOUIWOJHVYPJ-HXUWFJFHSA-N 1 0 355.438 3.691 20 5 FHBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000843767727 946882283 /nfs/dbraw/zinc/88/22/83/946882283.db2.gz LOGJSXOIVJECSW-UHFFFAOYSA-N 1 0 373.428 3.813 20 5 FHBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@](C)(O)CC3)o2)c([N+](=O)[O-])c1 ZINC000475344598 946915557 /nfs/dbraw/zinc/91/55/57/946915557.db2.gz XAODSUMFTZPLEI-LJQANCHMSA-N 1 0 360.410 3.600 20 5 FHBDRO CC[C@@H](C)[C@H](C)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000112600075 946917652 /nfs/dbraw/zinc/91/76/52/946917652.db2.gz MZIKSXRJCUJWAU-KGLIPLIRSA-N 1 0 363.458 3.831 20 5 FHBDRO COc1cccc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000475356032 946937470 /nfs/dbraw/zinc/93/74/70/946937470.db2.gz XSMKJMASMOSHQH-AWEZNQCLSA-N 1 0 361.467 3.989 20 5 FHBDRO CN(c1ccccc1)c1ccc(C[NH2+]Cc2ncccc2O)cc1[N+](=O)[O-] ZINC000475356042 946937499 /nfs/dbraw/zinc/93/74/99/946937499.db2.gz XXWPEIOLAUOIQR-UHFFFAOYSA-N 1 0 364.405 3.753 20 5 FHBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@H]1C ZINC000475361811 946953849 /nfs/dbraw/zinc/95/38/49/946953849.db2.gz KMUAUHQSUQNRBX-ZFWWWQNUSA-N 1 0 374.462 3.954 20 5 FHBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCc1cccs1 ZINC000072800881 947042868 /nfs/dbraw/zinc/04/28/68/947042868.db2.gz ZPKRSOFSIKGZJZ-LLVKDONJSA-N 1 0 367.858 3.811 20 5 FHBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](COC(N)=O)Cc1ccccc1 ZINC000840961133 947046905 /nfs/dbraw/zinc/04/69/05/947046905.db2.gz QYAXTSWBFLIWFF-SPQRHKFCSA-N 1 0 369.421 3.708 20 5 FHBDRO COc1cccc(NCc2ccc(OCC[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000475427286 947070237 /nfs/dbraw/zinc/07/02/37/947070237.db2.gz FYVMXDUHUSLNMX-UHFFFAOYSA-N 1 0 371.437 3.690 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCC[C@@H]3Cc3ccccc3)nc2c1 ZINC000444685578 947086665 /nfs/dbraw/zinc/08/66/65/947086665.db2.gz SSLJPZPWZHQJIF-NVXWUHKLSA-N 1 0 350.422 3.972 20 5 FHBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(-n2cccn2)c1 ZINC000444676462 947101257 /nfs/dbraw/zinc/10/12/57/947101257.db2.gz QIVGQYSMJHGZJY-CYBMUJFWSA-N 1 0 362.393 3.508 20 5 FHBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCC[C@@H]1C ZINC000444679483 947104634 /nfs/dbraw/zinc/10/46/34/947104634.db2.gz VBVGKNGKXOVCGB-WMLDXEAASA-N 1 0 363.458 3.833 20 5 FHBDRO Cc1ccc(F)c(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000444738698 947153403 /nfs/dbraw/zinc/15/34/03/947153403.db2.gz CSMJAPXKEOHLMS-UHFFFAOYSA-N 1 0 359.401 3.811 20 5 FHBDRO CC(C)c1ccc(C[N@H+](C)C[C@@H](O)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000511959229 947170780 /nfs/dbraw/zinc/17/07/80/947170780.db2.gz XZMODKCMHNAZJW-LJQANCHMSA-N 1 0 372.465 3.728 20 5 FHBDRO O=[N+]([O-])c1cc(Br)ccc1NCC1CC[NH+](C2CC2)CC1 ZINC000444862946 947288951 /nfs/dbraw/zinc/28/89/51/947288951.db2.gz DSPZVCPFXKCZJS-UHFFFAOYSA-N 1 0 354.248 3.644 20 5 FHBDRO CC(C)(C(=O)N1CC[NH+](CC2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000523506112 947336896 /nfs/dbraw/zinc/33/68/96/947336896.db2.gz ACNZJUPDIDWCBG-UHFFFAOYSA-N 1 0 373.497 3.597 20 5 FHBDRO C[NH+](C)CCCOc1ccc(CNc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000440595707 947354308 /nfs/dbraw/zinc/35/43/08/947354308.db2.gz LOZPVAHVFQJNHN-UHFFFAOYSA-N 1 0 365.380 3.816 20 5 FHBDRO C[NH+]1CCC2(CCN(C(=O)c3cc4ccccc4c4cccnc34)C2)CC1 ZINC000647724931 947375173 /nfs/dbraw/zinc/37/51/73/947375173.db2.gz DWIZBWUZTPCSEQ-UHFFFAOYSA-N 1 0 359.473 3.946 20 5 FHBDRO CC[C@H](C)[N@H+](C)CCNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000236882299 947416484 /nfs/dbraw/zinc/41/64/84/947416484.db2.gz KWTZCGMOALYQSX-AWEZNQCLSA-N 1 0 361.442 3.683 20 5 FHBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 ZINC000236777963 947674918 /nfs/dbraw/zinc/67/49/18/947674918.db2.gz STPWLXOPORGKOY-MRXNPFEDSA-N 1 0 361.829 3.801 20 5 FHBDRO Cc1c(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000248400406 947913512 /nfs/dbraw/zinc/91/35/12/947913512.db2.gz XPKWUYQQPDWUQC-KDOFPFPSSA-N 1 0 368.437 3.545 20 5 FHBDRO Cc1noc(CC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)n1 ZINC000105469814 948037844 /nfs/dbraw/zinc/03/78/44/948037844.db2.gz VOJNIIPUHMTLCU-UHFFFAOYSA-N 1 0 372.356 3.550 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000278901588 948046125 /nfs/dbraw/zinc/04/61/25/948046125.db2.gz FVTFIPDHWJBYOU-LSDHHAIUSA-N 1 0 360.483 3.514 20 5 FHBDRO CC(C)[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000181978137 948153797 /nfs/dbraw/zinc/15/37/97/948153797.db2.gz IVZNQEPLMZNAJO-LJQANCHMSA-N 1 0 360.385 3.992 20 5 FHBDRO O=[N+]([O-])c1cccc2c(N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccnc21 ZINC000432341328 948164437 /nfs/dbraw/zinc/16/44/37/948164437.db2.gz WGMIKDAXUBKGHF-PBHICJAKSA-N 1 0 352.438 3.596 20 5 FHBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000574693300 948331490 /nfs/dbraw/zinc/33/14/90/948331490.db2.gz LSZNLRZEWGVJOC-QWHCGFSZSA-N 1 0 359.451 3.602 20 5 FHBDRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]Cc2c3ccccc3cc3ccccc32)O1 ZINC000182042145 948377864 /nfs/dbraw/zinc/37/78/64/948377864.db2.gz INOJJJIOOMXHGE-AVRDEDQJSA-N 1 0 362.473 3.718 20 5 FHBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000574796813 948518348 /nfs/dbraw/zinc/51/83/48/948518348.db2.gz LVWLHNIMHIGAJJ-KISNFGTJSA-N 1 0 371.462 3.574 20 5 FHBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(-n3cncn3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000279178573 948588239 /nfs/dbraw/zinc/58/82/39/948588239.db2.gz VKBHETOPBPPZFZ-LJQANCHMSA-N 1 0 363.421 3.688 20 5 FHBDRO COc1cc2c(cc1F)[nH+]ccc2N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000571577714 948641419 /nfs/dbraw/zinc/64/14/19/948641419.db2.gz ITWCJLNIGUIERK-UHFFFAOYSA-N 1 0 369.352 3.690 20 5 FHBDRO CC[N@H+](CCc1ccccc1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728898006 948673927 /nfs/dbraw/zinc/67/39/27/948673927.db2.gz SPDCDRQCMAOXHK-UHFFFAOYSA-N 1 0 350.422 3.980 20 5 FHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000536481625 948726210 /nfs/dbraw/zinc/72/62/10/948726210.db2.gz LMTJOKHROZDTSD-QLFBSQMISA-N 1 0 370.453 3.554 20 5 FHBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000071906179 221386771 /nfs/dbraw/zinc/38/67/71/221386771.db2.gz XPZKZNPPTDKJGZ-GOSISDBHSA-N 1 0 370.405 3.582 20 5 FHBDRO CC[C@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000481375841 567862919 /nfs/dbraw/zinc/86/29/19/567862919.db2.gz QUMGOQBMUGOXPB-WBMJQRKESA-N 1 0 374.466 3.777 20 5 FHBDRO COc1ccc(C[N@H+](Cc2ccccc2)CC2(O)CCCC2)cc1[N+](=O)[O-] ZINC000568102951 567883442 /nfs/dbraw/zinc/88/34/42/567883442.db2.gz XIEGSWSDIRPYFR-UHFFFAOYSA-N 1 0 370.449 3.911 20 5 FHBDRO CC[NH+](CC)CC(=O)Nc1cccc(NCc2ccc([N+](=O)[O-])cc2C)c1 ZINC000568555077 568050972 /nfs/dbraw/zinc/05/09/72/568050972.db2.gz CPIUGLLMWUWQMM-UHFFFAOYSA-N 1 0 370.453 3.796 20 5 FHBDRO COc1ccc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(OC)c1 ZINC000481737757 568100204 /nfs/dbraw/zinc/10/02/04/568100204.db2.gz PSINFYUIOCPIPG-LJQANCHMSA-N 1 0 370.449 3.765 20 5 FHBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C2CC2)c1 ZINC000568732915 568144944 /nfs/dbraw/zinc/14/49/44/568144944.db2.gz MOHZYYIZKGGOHE-CQSZACIVSA-N 1 0 374.462 3.597 20 5 FHBDRO Cc1c(C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000568977225 568257098 /nfs/dbraw/zinc/25/70/98/568257098.db2.gz QTJPCPCBVSEJTM-MRXNPFEDSA-N 1 0 368.355 3.615 20 5 FHBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+](C)C2CCOCC2)cc1OC ZINC000541986185 568313725 /nfs/dbraw/zinc/31/37/25/568313725.db2.gz JDKJUNOSNSAQHM-AWEZNQCLSA-N 1 0 366.458 3.639 20 5 FHBDRO C[C@H]([NH2+][C@H]1CCC1(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000569255684 568321016 /nfs/dbraw/zinc/32/10/16/568321016.db2.gz CSIPUMKSOWQWMD-NHYWBVRUSA-N 1 0 374.466 3.824 20 5 FHBDRO CSc1ccc(C(=O)NCCC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000031144644 568325530 /nfs/dbraw/zinc/32/55/30/568325530.db2.gz YLIPQKPGYKPFQQ-UHFFFAOYSA-N 1 0 365.499 3.701 20 5 FHBDRO Cc1sc(C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000031765283 568339194 /nfs/dbraw/zinc/33/91/94/568339194.db2.gz VFWHHIKZBRAONK-UHFFFAOYSA-N 1 0 373.478 3.621 20 5 FHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000569298011 568344357 /nfs/dbraw/zinc/34/43/57/568344357.db2.gz NWHFQAFVSPINJL-QZTJIDSGSA-N 1 0 356.422 3.562 20 5 FHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1Cl ZINC000032315993 568386444 /nfs/dbraw/zinc/38/64/44/568386444.db2.gz FGSWYXKRMBRCKN-AWEZNQCLSA-N 1 0 365.817 3.654 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000569842914 568422188 /nfs/dbraw/zinc/42/21/88/568422188.db2.gz BWQAEWCFEMAFRD-SFHVURJKSA-N 1 0 371.437 3.547 20 5 FHBDRO Cc1ccc(Sc2ccc(C(=O)NC[C@@H](C)[NH+](C)C)cc2[N+](=O)[O-])cc1 ZINC000033093251 568451026 /nfs/dbraw/zinc/45/10/26/568451026.db2.gz FLYJGIUKJAKQDH-CQSZACIVSA-N 1 0 373.478 3.734 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000570153777 568455212 /nfs/dbraw/zinc/45/52/12/568455212.db2.gz OGICLCPRHRBLBF-CQSZACIVSA-N 1 0 367.877 3.654 20 5 FHBDRO CC(C)(C)C1=CC[N@H+](CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000570081773 568457547 /nfs/dbraw/zinc/45/75/47/568457547.db2.gz VTLFAXBUAAELHP-UHFFFAOYSA-N 1 0 372.469 3.570 20 5 FHBDRO COc1cccc(N2CC[C@@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000482252447 568529355 /nfs/dbraw/zinc/52/93/55/568529355.db2.gz BANSREGPZVVFNY-HZPDHXFCSA-N 1 0 355.438 3.841 20 5 FHBDRO C[C@]1(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000584723876 568550189 /nfs/dbraw/zinc/55/01/89/568550189.db2.gz PHANVOUKRMEFRC-IBGZPJMESA-N 1 0 372.400 3.520 20 5 FHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000584720139 568576601 /nfs/dbraw/zinc/57/66/01/568576601.db2.gz USLZOGGQEQAHFB-FQEVSTJZSA-N 1 0 365.477 3.924 20 5 FHBDRO CCC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000821022386 607057802 /nfs/dbraw/zinc/05/78/02/607057802.db2.gz ROZWSWNYIHLTPI-KRWDZBQOSA-N 1 0 370.388 3.545 20 5 FHBDRO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825434862 608549710 /nfs/dbraw/zinc/54/97/10/608549710.db2.gz HXKGUZMOTRSUFV-CQSZACIVSA-N 1 0 366.425 3.666 20 5 FHBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000825141346 609148478 /nfs/dbraw/zinc/14/84/78/609148478.db2.gz NXSQRHDCYATKQF-GTNSWQLSSA-N 1 0 370.388 3.716 20 5 FHBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(Cl)c1 ZINC001164624673 719055233 /nfs/dbraw/zinc/05/52/33/719055233.db2.gz OUGUICJUVQIIQE-CRAIPNDOSA-N 1 0 372.856 3.744 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164623612 719082667 /nfs/dbraw/zinc/08/26/67/719082667.db2.gz JXYCFZIVGROJFT-OALUTQOASA-N 1 0 366.465 3.707 20 5 FHBDRO Cc1cc(N2CCC([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)CC2)nc(C)n1 ZINC000162269282 936369875 /nfs/dbraw/zinc/36/98/75/936369875.db2.gz SPNQSOJMVOEYQB-HNNXBMFYSA-N 1 0 369.469 3.630 20 5 FHBDRO C[NH+](C)CC1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000178762205 937081771 /nfs/dbraw/zinc/08/17/71/937081771.db2.gz DXHGXVHODFBJBP-UHFFFAOYSA-N 1 0 361.467 3.660 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000157508028 927774525 /nfs/dbraw/zinc/77/45/25/927774525.db2.gz MSTFRLKPVNFHQZ-INIZCTEOSA-N 1 0 359.470 3.712 20 5 FHBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccc2c(c1)OCCO2 ZINC000430198104 927906364 /nfs/dbraw/zinc/90/63/64/927906364.db2.gz XTWPDNPEOZONSR-INIZCTEOSA-N 1 0 358.394 3.616 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000430203952 927998488 /nfs/dbraw/zinc/99/84/88/927998488.db2.gz PXZOFUKHPXGDIQ-KXBFYZLASA-N 1 0 356.422 3.861 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000120304858 928049067 /nfs/dbraw/zinc/04/90/67/928049067.db2.gz RZBOMGJJQUVSJA-UHFFFAOYSA-N 1 0 356.426 3.595 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000430215157 928202046 /nfs/dbraw/zinc/20/20/46/928202046.db2.gz BYMOGURTPOOBEB-QGZVFWFLSA-N 1 0 361.486 3.691 20 5 FHBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)c1 ZINC001167070769 928211843 /nfs/dbraw/zinc/21/18/43/928211843.db2.gz IUUGCTSLWDKDOG-LJQANCHMSA-N 1 0 368.433 3.979 20 5 FHBDRO Cc1cccnc1C(C)(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000583232961 937263522 /nfs/dbraw/zinc/26/35/22/937263522.db2.gz LOQIUDVZQOHTER-UHFFFAOYSA-N 1 0 365.380 3.967 20 5 FHBDRO CC1CC[NH+](C2CCC(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000254983149 928672049 /nfs/dbraw/zinc/67/20/49/928672049.db2.gz PDSKQQMORFUIBT-WCIBSUBMSA-N 1 0 371.481 3.767 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CCO)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000154291161 928692539 /nfs/dbraw/zinc/69/25/39/928692539.db2.gz AREHDASKTDSDLP-KDOFPFPSSA-N 1 0 374.437 3.776 20 5 FHBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000176583789 937276287 /nfs/dbraw/zinc/27/62/87/937276287.db2.gz HMNCLZXOQFCYQK-HOCLYGCPSA-N 1 0 371.412 3.517 20 5 FHBDRO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000248170125 937281388 /nfs/dbraw/zinc/28/13/88/937281388.db2.gz UPEHRAHVRLIMRY-LNLFQRSKSA-N 1 0 363.502 3.691 20 5 FHBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(Cc1ccccc1)C1CC1 ZINC000032626633 928940901 /nfs/dbraw/zinc/94/09/01/928940901.db2.gz JTXYVTAHNOUKHB-UHFFFAOYSA-N 1 0 362.389 3.585 20 5 FHBDRO C[C@@H](C[C@H](O)c1ccccc1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000120595963 929066975 /nfs/dbraw/zinc/06/69/75/929066975.db2.gz UICKXRFKUXRXFG-KKSFZXQISA-N 1 0 369.465 3.665 20 5 FHBDRO CC[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000510243840 929148211 /nfs/dbraw/zinc/14/82/11/929148211.db2.gz QUUMMOJSJDPWRF-HNNXBMFYSA-N 1 0 360.410 3.732 20 5 FHBDRO CC[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000165150458 929150931 /nfs/dbraw/zinc/15/09/31/929150931.db2.gz LEUJHMXGIOGKJG-IBGZPJMESA-N 1 0 355.438 3.580 20 5 FHBDRO C[C@@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000165333935 929510015 /nfs/dbraw/zinc/51/00/15/929510015.db2.gz KCLXVJUSCIGDQE-IEBWSBKVSA-N 1 0 353.466 3.810 20 5 FHBDRO CN(C(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)c1ccccc1 ZINC000430303162 929626560 /nfs/dbraw/zinc/62/65/60/929626560.db2.gz SOHJFLJUIXWCRI-OAHLLOKOSA-N 1 0 373.840 3.733 20 5 FHBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000134014469 929639907 /nfs/dbraw/zinc/63/99/07/929639907.db2.gz UFWSWYKWNVBLOH-ICSRJNTNSA-N 1 0 365.433 3.660 20 5 FHBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275676377 929834721 /nfs/dbraw/zinc/83/47/21/929834721.db2.gz BTYXXPYWCKLNBV-VLIAUNLRSA-N 1 0 363.461 3.506 20 5 FHBDRO Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2=O)cc1 ZINC000580023612 929906344 /nfs/dbraw/zinc/90/63/44/929906344.db2.gz ZMQUSZSDDJVPRU-JXFKEZNVSA-N 1 0 367.449 3.663 20 5 FHBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275733670 930069898 /nfs/dbraw/zinc/06/98/98/930069898.db2.gz YCPSTSVBVAMPGM-HOTGVXAUSA-N 1 0 363.461 3.696 20 5 FHBDRO CC[C@@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000560993313 930269685 /nfs/dbraw/zinc/26/96/85/930269685.db2.gz PEASODOQZDTZJP-IBGZPJMESA-N 1 0 369.465 3.506 20 5 FHBDRO CCc1cc(NC[C@@H](C)C[NH+]2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064914792 930316976 /nfs/dbraw/zinc/31/69/76/930316976.db2.gz YEWVEUFHBRQHGF-OAHLLOKOSA-N 1 0 369.469 3.758 20 5 FHBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC001167367139 930354144 /nfs/dbraw/zinc/35/41/44/930354144.db2.gz BSGUWVCTCXTQIT-IERDGZPVSA-N 1 0 367.449 3.976 20 5 FHBDRO CC[C@H]([NH2+]C[C@@H](c1ccc(C)o1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000118959626 930459722 /nfs/dbraw/zinc/45/97/22/930459722.db2.gz PZTXNWATVNSGGQ-OALUTQOASA-N 1 0 373.453 3.610 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000247259489 930529520 /nfs/dbraw/zinc/52/95/20/930529520.db2.gz DXZDRMUGYPQHPQ-KBXCAEBGSA-N 1 0 373.478 3.778 20 5 FHBDRO CCc1cnc(CN(C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)s1 ZINC000177763895 930669942 /nfs/dbraw/zinc/66/99/42/930669942.db2.gz JPFSCRUETFCSPE-UHFFFAOYSA-N 1 0 372.450 3.943 20 5 FHBDRO COc1ccc([C@H](C[NH+](C)C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000580459159 930700526 /nfs/dbraw/zinc/70/05/26/930700526.db2.gz FDHPIHWMFOVECZ-KXBFYZLASA-N 1 0 357.454 3.865 20 5 FHBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000109921610 930731143 /nfs/dbraw/zinc/73/11/43/930731143.db2.gz AKSUHWDNSHZBCD-ZIAGYGMSSA-N 1 0 372.469 3.562 20 5 FHBDRO Cc1cccc(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)c1[N+](=O)[O-] ZINC000610445941 930788741 /nfs/dbraw/zinc/78/87/41/930788741.db2.gz KXNHMYBRIHIALS-QGZVFWFLSA-N 1 0 367.449 3.640 20 5 FHBDRO CCc1ccc([C@H]([NH2+]CC2(CO)CCCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000471592677 930841648 /nfs/dbraw/zinc/84/16/48/930841648.db2.gz HETPYMFXVAZKPD-LJQANCHMSA-N 1 0 358.438 3.982 20 5 FHBDRO CC(C)[C@H](O)C1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000537386534 930949806 /nfs/dbraw/zinc/94/98/06/930949806.db2.gz WPYNEQUFLGZHJM-INIZCTEOSA-N 1 0 361.467 3.605 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1ccsc1 ZINC000471613393 931058136 /nfs/dbraw/zinc/05/81/36/931058136.db2.gz XMMNMWUHHJRDNS-KGLIPLIRSA-N 1 0 352.481 3.850 20 5 FHBDRO Cc1ccccc1C[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000610476210 931540019 /nfs/dbraw/zinc/54/00/19/931540019.db2.gz WECIOBSHJSNGJM-UHFFFAOYSA-N 1 0 357.429 3.750 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000157013217 931774216 /nfs/dbraw/zinc/77/42/16/931774216.db2.gz SAKNLNYYPFNHIF-CQSZACIVSA-N 1 0 374.466 3.568 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCO[C@H](C4CC4)C3)cs2)c1 ZINC000157091409 931834256 /nfs/dbraw/zinc/83/42/56/931834256.db2.gz GHVYHINPIQQCHH-PBHICJAKSA-N 1 0 359.451 3.766 20 5 FHBDRO COc1ccc(OC)c([C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000581393216 931945481 /nfs/dbraw/zinc/94/54/81/931945481.db2.gz KDOLIXWVWGLXGD-CYBMUJFWSA-N 1 0 369.421 3.987 20 5 FHBDRO O=C(CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1cccc(F)c1 ZINC000135219370 932054896 /nfs/dbraw/zinc/05/48/96/932054896.db2.gz GBQUTZBJDFCFOD-UHFFFAOYSA-N 1 0 357.385 3.727 20 5 FHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000581456161 932089620 /nfs/dbraw/zinc/08/96/20/932089620.db2.gz SHWNALZQUFYSCG-CECLQJIQSA-N 1 0 371.437 3.894 20 5 FHBDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc([N+](=O)[O-])c(F)c3)ccc2NC1=O ZINC000276312069 932173477 /nfs/dbraw/zinc/17/34/77/932173477.db2.gz MNZWSPMKDNMCKO-DIFFPNOSSA-N 1 0 373.384 3.694 20 5 FHBDRO COc1cccc(NC(=O)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000178075336 932312191 /nfs/dbraw/zinc/31/21/91/932312191.db2.gz JGOITNKGRUAUIM-UHFFFAOYSA-N 1 0 369.421 3.597 20 5 FHBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(N2CCCC2=O)c1 ZINC000090910033 932603801 /nfs/dbraw/zinc/60/38/01/932603801.db2.gz DZFDLFVSUCFCBW-OAHLLOKOSA-N 1 0 353.422 3.615 20 5 FHBDRO O=[N+]([O-])c1cccc(CC[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)c1 ZINC000090909800 932625424 /nfs/dbraw/zinc/62/54/24/932625424.db2.gz HFNGKZOZWBKHMD-UHFFFAOYSA-N 1 0 371.456 3.573 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CSCC[NH+](C(C)C)C(C)C ZINC000161041046 932715208 /nfs/dbraw/zinc/71/52/08/932715208.db2.gz HFMVSXCYQUZSTI-UHFFFAOYSA-N 1 0 353.488 3.694 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000276679254 932923334 /nfs/dbraw/zinc/92/33/34/932923334.db2.gz OPOKTPJUWYZONI-CYBMUJFWSA-N 1 0 367.858 3.651 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CCC[C@@H]([NH+]4CCCC4)C3)o2)c1 ZINC000510489405 932928227 /nfs/dbraw/zinc/92/82/27/932928227.db2.gz NLEADGCLXQPAHB-GOSISDBHSA-N 1 0 355.438 3.915 20 5 FHBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000255386134 932981347 /nfs/dbraw/zinc/98/13/47/932981347.db2.gz OSBXNLVTWCAPNW-FLIBITNWSA-N 1 0 357.454 3.521 20 5 FHBDRO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])C1(C)C ZINC001167490566 933076313 /nfs/dbraw/zinc/07/63/13/933076313.db2.gz DMLOYNAVVPSAIF-HOCLYGCPSA-N 1 0 371.275 3.993 20 5 FHBDRO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178316638 933119266 /nfs/dbraw/zinc/11/92/66/933119266.db2.gz ATKISFLXMNFIRT-ZDUSSCGKSA-N 1 0 360.410 3.780 20 5 FHBDRO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cccc(-c4ccncc4)c3)CC2)c1 ZINC000510519935 933184423 /nfs/dbraw/zinc/18/44/23/933184423.db2.gz JLTGGRQOGLQMNQ-UHFFFAOYSA-N 1 0 374.444 3.979 20 5 FHBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C)[NH+](C)C ZINC000510519707 933185041 /nfs/dbraw/zinc/18/50/41/933185041.db2.gz CUIBEFFSMRNDBV-DNVCBOLYSA-N 1 0 355.438 3.633 20 5 FHBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000510547049 933211025 /nfs/dbraw/zinc/21/10/25/933211025.db2.gz JXGWNTNMKODNTC-HNAYVOBHSA-N 1 0 355.438 3.633 20 5 FHBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000430830600 933280766 /nfs/dbraw/zinc/28/07/66/933280766.db2.gz OWGCCVSOFCDQHR-CXAGYDPISA-N 1 0 367.877 3.879 20 5 FHBDRO Cc1cc(OCCC[C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)ccc1Cl ZINC000510723642 933525164 /nfs/dbraw/zinc/52/51/64/933525164.db2.gz SVMQJMVGCOPVGL-CQSZACIVSA-N 1 0 366.849 3.590 20 5 FHBDRO COCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000178365988 933575831 /nfs/dbraw/zinc/57/58/31/933575831.db2.gz PUEHIVTWVDTQNI-UGSOOPFHSA-N 1 0 364.467 3.761 20 5 FHBDRO Cc1noc([C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)n1 ZINC000091832682 933678562 /nfs/dbraw/zinc/67/85/62/933678562.db2.gz BXPZTDXOJHIPLZ-AWEZNQCLSA-N 1 0 368.393 3.926 20 5 FHBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000610664862 933700315 /nfs/dbraw/zinc/70/03/15/933700315.db2.gz FLJXKXKGQWMXGH-UHFFFAOYSA-N 1 0 364.449 3.845 20 5 FHBDRO O=[N+]([O-])c1ccc([O-])cc1CN[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000610786725 934186099 /nfs/dbraw/zinc/18/60/99/934186099.db2.gz UBDCTZLRQDIXGU-LJQANCHMSA-N 1 0 355.438 3.617 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cnn(CC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000535778316 934368048 /nfs/dbraw/zinc/36/80/48/934368048.db2.gz ZHBLMDUSGSULOP-LLVKDONJSA-N 1 0 372.347 3.603 20 5 FHBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@H]21 ZINC000535806324 934412852 /nfs/dbraw/zinc/41/28/52/934412852.db2.gz QQLHUSWLNNSLRM-CRAIPNDOSA-N 1 0 355.438 3.771 20 5 FHBDRO Cc1noc(C[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277108368 934493056 /nfs/dbraw/zinc/49/30/56/934493056.db2.gz MHXOBKNTOYXPQS-FZKQIMNGSA-N 1 0 352.394 3.921 20 5 FHBDRO COc1cc(N[C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc(OC)c1 ZINC000610865327 934540746 /nfs/dbraw/zinc/54/07/46/934540746.db2.gz NFGKXUQLBKHZDM-MRXNPFEDSA-N 1 0 371.437 3.689 20 5 FHBDRO CCC[C@@H]([NH2+]CCNC(=O)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000178453349 934587071 /nfs/dbraw/zinc/58/70/71/934587071.db2.gz MYAZCAJKBSURFK-GOSISDBHSA-N 1 0 359.401 3.595 20 5 FHBDRO CCO[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000610930439 934626324 /nfs/dbraw/zinc/62/63/24/934626324.db2.gz DGOZUQMUSYQEMR-HNNXBMFYSA-N 1 0 360.410 3.864 20 5 FHBDRO CC(C)CCSc1ccc(C(=O)N2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000236601495 934751684 /nfs/dbraw/zinc/75/16/84/934751684.db2.gz HMUATYFNBBIPJF-OAHLLOKOSA-N 1 0 365.499 3.686 20 5 FHBDRO CC(=O)Nc1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000178485407 934836565 /nfs/dbraw/zinc/83/65/65/934836565.db2.gz ZQVXBSRZPNQISP-IBGZPJMESA-N 1 0 353.422 3.664 20 5 FHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000450262587 934878470 /nfs/dbraw/zinc/87/84/70/934878470.db2.gz NWZODBCHEGZOJE-RKVPGOIHSA-N 1 0 354.454 3.985 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380702550 934879496 /nfs/dbraw/zinc/87/94/96/934879496.db2.gz HBHLHMRYSQRFSH-AEFFLSMTSA-N 1 0 369.465 3.604 20 5 FHBDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc([N+](=O)[O-])c1 ZINC000119670573 934995822 /nfs/dbraw/zinc/99/58/22/934995822.db2.gz SALKMTGIIBSWGR-HNNXBMFYSA-N 1 0 373.478 3.607 20 5 FHBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[N@@H+]1CCCC[C@@H]1C ZINC000437151491 945070756 /nfs/dbraw/zinc/07/07/56/945070756.db2.gz GOXASQLLTOWSQT-NWDGAFQWSA-N 1 0 373.375 3.606 20 5 FHBDRO CCOC(=O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000158082002 935033563 /nfs/dbraw/zinc/03/35/63/935033563.db2.gz LIWCQDNEPWBFJG-UHFFFAOYSA-N 1 0 358.394 3.630 20 5 FHBDRO Cc1ccccc1[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000539260372 935117073 /nfs/dbraw/zinc/11/70/73/935117073.db2.gz BFKXPJFIBFUZQO-OAQYLSRUSA-N 1 0 367.449 3.779 20 5 FHBDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000157909871 935220747 /nfs/dbraw/zinc/22/07/47/935220747.db2.gz BQBIERKZQCFXMT-JSGCOSHPSA-N 1 0 373.457 3.533 20 5 FHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000511104629 935578913 /nfs/dbraw/zinc/57/89/13/935578913.db2.gz FNYQPMSKJIXDFY-FQEVSTJZSA-N 1 0 370.449 3.827 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H]4[NH2+]CC[C@@H]4C3)o2)c(Cl)c1 ZINC000427130927 945110667 /nfs/dbraw/zinc/11/06/67/945110667.db2.gz MKWSKWFAZKZYBE-PXAZEXFGSA-N 1 0 361.829 3.692 20 5 FHBDRO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000478510597 935639070 /nfs/dbraw/zinc/63/90/70/935639070.db2.gz YRNCGPGDFHVHCB-ZDUSSCGKSA-N 1 0 357.410 3.721 20 5 FHBDRO C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[S@@](=O)C1 ZINC000277599699 935704296 /nfs/dbraw/zinc/70/42/96/935704296.db2.gz VNUNYYQFMIYSFM-RKNYENMMSA-N 1 0 364.492 3.524 20 5 FHBDRO COc1ccc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1F ZINC000178593723 935808544 /nfs/dbraw/zinc/80/85/44/935808544.db2.gz WCAWQHADWBAOJD-SFHVURJKSA-N 1 0 358.413 3.896 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[N@H+](Cc3ccccc3C)CC2)n1 ZINC000611615892 935814136 /nfs/dbraw/zinc/81/41/36/935814136.db2.gz KOMILYXFDYFKNY-UHFFFAOYSA-N 1 0 354.454 3.627 20 5 FHBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277733912 935865705 /nfs/dbraw/zinc/86/57/05/935865705.db2.gz OKRNNNOABYUILK-OAHLLOKOSA-N 1 0 363.461 3.507 20 5 FHBDRO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CC2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC000582664602 935920861 /nfs/dbraw/zinc/92/08/61/935920861.db2.gz JRKCSHJARGGAAH-WNQHEHQFSA-N 1 0 354.454 3.834 20 5 FHBDRO C[C@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178649345 936031676 /nfs/dbraw/zinc/03/16/76/936031676.db2.gz DDOKKKKEQVVBHZ-INIZCTEOSA-N 1 0 363.417 3.656 20 5 FHBDRO COc1ccccc1N1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000178651752 936036677 /nfs/dbraw/zinc/03/66/77/936036677.db2.gz BJGCTMPUQKDDTH-OAHLLOKOSA-N 1 0 355.438 3.923 20 5 FHBDRO C[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611713907 936075819 /nfs/dbraw/zinc/07/58/19/936075819.db2.gz LGZQLGOLEXVYSL-KGLIPLIRSA-N 1 0 355.442 3.603 20 5 FHBDRO O=[N+]([O-])c1cnn(CC[N@H+](CCc2ccccc2)Cc2ccccc2)c1 ZINC000472263419 936146464 /nfs/dbraw/zinc/14/64/64/936146464.db2.gz UERSIFFGKUYLFS-UHFFFAOYSA-N 1 0 350.422 3.536 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000178681450 936173366 /nfs/dbraw/zinc/17/33/66/936173366.db2.gz GEQBBSYOFFWYGU-HUUCEWRRSA-N 1 0 353.422 3.532 20 5 FHBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC001167625469 936199597 /nfs/dbraw/zinc/19/95/97/936199597.db2.gz UGHRBHMKQXFEEC-UHFFFAOYSA-N 1 0 371.441 3.662 20 5 FHBDRO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178684850 936200787 /nfs/dbraw/zinc/20/07/87/936200787.db2.gz WKQANJOXXCHFPD-ZIAGYGMSSA-N 1 0 369.421 3.784 20 5 FHBDRO Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178685338 936201311 /nfs/dbraw/zinc/20/13/11/936201311.db2.gz FGRIQOLGHVBVGC-HOTGVXAUSA-N 1 0 355.438 3.567 20 5 FHBDRO COCC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)Cc1scnc1C ZINC000426547284 945152980 /nfs/dbraw/zinc/15/29/80/945152980.db2.gz ZPCFXJRZRIXSFU-NTEUORMPSA-N 1 0 361.467 3.912 20 5 FHBDRO CC(C)C[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[NH+](C)C ZINC000277979016 936301865 /nfs/dbraw/zinc/30/18/65/936301865.db2.gz MEIXSTVCMOEFGV-HNNXBMFYSA-N 1 0 365.477 3.800 20 5 FHBDRO O=[N+]([O-])c1cc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1Oc1ccc(F)cc1 ZINC000583500147 938281372 /nfs/dbraw/zinc/28/13/72/938281372.db2.gz OINBKAGCYVJBJM-HOTGVXAUSA-N 1 0 371.412 3.568 20 5 FHBDRO Cc1c(NC(=O)CC[N@@H+]2CCS[C@@H]3CCCC[C@H]32)cccc1[N+](=O)[O-] ZINC000246085410 938337699 /nfs/dbraw/zinc/33/76/99/938337699.db2.gz GBFOBFFVUKUUKD-IAGOWNOFSA-N 1 0 363.483 3.592 20 5 FHBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)CC(=O)N2C ZINC000278397637 938385981 /nfs/dbraw/zinc/38/59/81/938385981.db2.gz FKZLFHYFVNJVLB-ORAYPTAESA-N 1 0 365.433 3.842 20 5 FHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(NC(=O)c2ccccc2F)CC1 ZINC000052725902 938524676 /nfs/dbraw/zinc/52/46/76/938524676.db2.gz IQUUHHNQEUUYJA-AWEZNQCLSA-N 1 0 371.412 3.689 20 5 FHBDRO Cc1ccccc1C(=O)NC1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000052746803 938551629 /nfs/dbraw/zinc/55/16/29/938551629.db2.gz HSENDCIZYUHEET-MRXNPFEDSA-N 1 0 367.449 3.859 20 5 FHBDRO Cc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(-c2cnn(C)c2)c1 ZINC000584041228 938564933 /nfs/dbraw/zinc/56/49/33/938564933.db2.gz HAQSYRGUYJHRQH-UHFFFAOYSA-N 1 0 350.422 3.936 20 5 FHBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CCCc2ccccc2)cccc1[N+](=O)[O-] ZINC000052802822 938595859 /nfs/dbraw/zinc/59/58/59/938595859.db2.gz WOFIWXNNOXVGJJ-MRXNPFEDSA-N 1 0 355.438 3.795 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278684316 938648880 /nfs/dbraw/zinc/64/88/80/938648880.db2.gz IZGAVHZJVUAWSV-LBPRGKRZSA-N 1 0 359.348 3.506 20 5 FHBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000431550391 938865051 /nfs/dbraw/zinc/86/50/51/938865051.db2.gz MEJYJCDOMWSTPV-CZUORRHYSA-N 1 0 367.877 3.879 20 5 FHBDRO CC[N@@H+]1CCC[C@H](Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000584449864 938903159 /nfs/dbraw/zinc/90/31/59/938903159.db2.gz LDKRXMHVQDAHHV-VIFPVBQESA-N 1 0 368.306 3.540 20 5 FHBDRO CSc1ccc(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000536214591 938928737 /nfs/dbraw/zinc/92/87/37/938928737.db2.gz KYYVDTZHDAPPFC-UHFFFAOYSA-N 1 0 359.451 3.939 20 5 FHBDRO O=C(CC[N@H+](Cc1cccc(F)c1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000409859500 938997363 /nfs/dbraw/zinc/99/73/63/938997363.db2.gz MNMJYOYIRAAVSL-UHFFFAOYSA-N 1 0 357.385 3.727 20 5 FHBDRO CCC[N@@H+]1CC[C@@H](CNCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000102424112 939018558 /nfs/dbraw/zinc/01/85/58/939018558.db2.gz MSFZDCFLCSNSCH-HNNXBMFYSA-N 1 0 373.453 3.685 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000179364766 939097323 /nfs/dbraw/zinc/09/73/23/939097323.db2.gz HASIJWKFWZPILT-UHFFFAOYSA-N 1 0 355.438 3.512 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000179426603 939155681 /nfs/dbraw/zinc/15/56/81/939155681.db2.gz XTEYAZGZLHRNKQ-YJBOKZPZSA-N 1 0 358.438 3.810 20 5 FHBDRO COc1cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000511844854 945261734 /nfs/dbraw/zinc/26/17/34/945261734.db2.gz TVUGWBPCKSFLNP-YPMHNXCESA-N 1 0 356.369 3.969 20 5 FHBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000179591214 939892520 /nfs/dbraw/zinc/89/25/20/939892520.db2.gz JDXZNHWNVDLNNG-GFCCVEGCSA-N 1 0 352.337 3.926 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@]3(CO)CCc4ccccc43)o2)cc1 ZINC000135900317 939911536 /nfs/dbraw/zinc/91/15/36/939911536.db2.gz HHBZTUKNBITLHJ-NRFANRHFSA-N 1 0 364.401 3.778 20 5 FHBDRO Cc1cc(N2CC[C@@]3(C2)C(=O)Nc2ccccc23)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000614524745 939916259 /nfs/dbraw/zinc/91/62/59/939916259.db2.gz RYFIEHHGSGWECM-NRFANRHFSA-N 1 0 374.400 3.552 20 5 FHBDRO COc1ccc([C@@H](C)[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000411125041 940005493 /nfs/dbraw/zinc/00/54/93/940005493.db2.gz JKKWWAAKLWYZOM-CQSZACIVSA-N 1 0 357.410 3.625 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000411124754 940005551 /nfs/dbraw/zinc/00/55/51/940005551.db2.gz ILIXCIWUWDJGFA-GOSISDBHSA-N 1 0 369.421 3.769 20 5 FHBDRO CCC[N@H+](C[C@H]1CCCCO1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000411370490 940036502 /nfs/dbraw/zinc/03/65/02/940036502.db2.gz UIZZMGTUBWMRRS-JKSUJKDBSA-N 1 0 363.458 3.511 20 5 FHBDRO C[C@@H]([NH2+]CCC(=O)N[C@@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000411453850 940049522 /nfs/dbraw/zinc/04/95/22/940049522.db2.gz JZKWZJGKMCSTDR-FOIQADDNSA-N 1 0 367.449 3.829 20 5 FHBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC[C@H](C[NH+]4CCCCCC4)C3)c21 ZINC000612443341 940071364 /nfs/dbraw/zinc/07/13/64/940071364.db2.gz SNWNLVXUQMPTQP-MRXNPFEDSA-N 1 0 369.469 3.630 20 5 FHBDRO CC(C)CCSc1ccc(C(=O)N2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000236601448 940073613 /nfs/dbraw/zinc/07/36/13/940073613.db2.gz CTAXODYABYRYJZ-UHFFFAOYSA-N 1 0 365.499 3.544 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000537978764 940094759 /nfs/dbraw/zinc/09/47/59/940094759.db2.gz GDTDUJBISNVNGN-QGZVFWFLSA-N 1 0 361.486 3.589 20 5 FHBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000411737912 940098159 /nfs/dbraw/zinc/09/81/59/940098159.db2.gz RKCJYWDWVPMUIM-XBXGTLAGSA-N 1 0 373.375 3.976 20 5 FHBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000177544546 940269275 /nfs/dbraw/zinc/26/92/75/940269275.db2.gz NRXJIUYAEGUMFD-JHJVBQTASA-N 1 0 351.834 3.697 20 5 FHBDRO Cc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)c(Br)cc1[N+](=O)[O-] ZINC000235969996 940336241 /nfs/dbraw/zinc/33/62/41/940336241.db2.gz FBRKGBBCXMXHGW-LLVKDONJSA-N 1 0 354.248 3.562 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000124830444 945322130 /nfs/dbraw/zinc/32/21/30/945322130.db2.gz QBUNYBPFQXFLCE-CYBMUJFWSA-N 1 0 358.394 3.711 20 5 FHBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000581703518 940590006 /nfs/dbraw/zinc/59/00/06/940590006.db2.gz BALYSORLIXCDGC-IEZWGBDMSA-N 1 0 361.486 3.715 20 5 FHBDRO Cc1cccc(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000173509636 940632983 /nfs/dbraw/zinc/63/29/83/940632983.db2.gz ZBVFAMBJOAYIKE-KRWDZBQOSA-N 1 0 367.449 3.640 20 5 FHBDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000613389247 940657029 /nfs/dbraw/zinc/65/70/29/940657029.db2.gz FYKBXYIGNBBUBE-IFXJQAMLSA-N 1 0 367.405 3.504 20 5 FHBDRO CC[C@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000414164677 940698684 /nfs/dbraw/zinc/69/86/84/940698684.db2.gz BCHITBUCVYFCJC-JLJPHGGASA-N 1 0 362.451 3.970 20 5 FHBDRO COc1ccc([C@H](CO)C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000414190012 940737292 /nfs/dbraw/zinc/73/72/92/940737292.db2.gz RPPOEFKXZHUYEX-MGPUTAFESA-N 1 0 370.449 3.692 20 5 FHBDRO CCC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)(C)C ZINC000414196154 940745539 /nfs/dbraw/zinc/74/55/39/940745539.db2.gz WWKRDPZDZOTPCF-MLGOLLRUSA-N 1 0 351.447 3.735 20 5 FHBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000452033977 940872767 /nfs/dbraw/zinc/87/27/67/940872767.db2.gz IPXLCERAEMCINV-APHBMKBZSA-N 1 0 360.414 3.643 20 5 FHBDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000892608219 940941059 /nfs/dbraw/zinc/94/10/59/940941059.db2.gz NZAALYYSJIOIQD-MGPQQGTHSA-N 1 0 374.359 3.595 20 5 FHBDRO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180400512 940999405 /nfs/dbraw/zinc/99/94/05/940999405.db2.gz RCFBCNCZDAGHAT-HZPDHXFCSA-N 1 0 355.438 3.683 20 5 FHBDRO Cn1cc(CCC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cn1 ZINC000180400762 940999458 /nfs/dbraw/zinc/99/94/58/940999458.db2.gz SKSZOKBZAOFBLA-HXUWFJFHSA-N 1 0 350.422 3.640 20 5 FHBDRO C[C@H]([NH2+]C[C@H](O)COc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000180402631 941000004 /nfs/dbraw/zinc/00/00/04/941000004.db2.gz CXSUHBHAPUYTML-YWZLYKJASA-N 1 0 366.417 3.839 20 5 FHBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000180399731 941004660 /nfs/dbraw/zinc/00/46/60/941004660.db2.gz HLLLTTGMNNFXIE-JTQLQIEISA-N 1 0 351.765 3.677 20 5 FHBDRO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180403727 941005380 /nfs/dbraw/zinc/00/53/80/941005380.db2.gz QUPGMCYNJOVHPQ-KGLIPLIRSA-N 1 0 359.401 3.604 20 5 FHBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC)cc1 ZINC000180420790 941009637 /nfs/dbraw/zinc/00/96/37/941009637.db2.gz PHCXZGTWEKFBDH-UGSOOPFHSA-N 1 0 357.410 3.671 20 5 FHBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000310926896 941011313 /nfs/dbraw/zinc/01/13/13/941011313.db2.gz SGRZLXNSQHMCPS-HNNXBMFYSA-N 1 0 360.845 3.967 20 5 FHBDRO COC(=O)c1cc2cc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)ccc2o1 ZINC000180437761 941014767 /nfs/dbraw/zinc/01/47/67/941014767.db2.gz YLOFRDZCJNKWGR-LBPRGKRZSA-N 1 0 354.362 3.978 20 5 FHBDRO CCC[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000180444154 941017382 /nfs/dbraw/zinc/01/73/82/941017382.db2.gz SMLVWNPSSCMJFJ-KXBFYZLASA-N 1 0 355.438 3.903 20 5 FHBDRO CCC[C@H](NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000180444191 941017419 /nfs/dbraw/zinc/01/74/19/941017419.db2.gz SMLVWNPSSCMJFJ-BEFAXECRSA-N 1 0 355.438 3.903 20 5 FHBDRO C[C@@H]([NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180449996 941018053 /nfs/dbraw/zinc/01/80/53/941018053.db2.gz KBXQIZOHUUTHNI-SJKOYZFVSA-N 1 0 368.355 3.868 20 5 FHBDRO CCc1ccc([C@H]([NH2+][C@@H]2CCC[C@H](CO)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414347657 941021481 /nfs/dbraw/zinc/02/14/81/941021481.db2.gz WBAOBVGXZXYESB-YYFZDKIDSA-N 1 0 358.438 3.980 20 5 FHBDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000180823854 941081860 /nfs/dbraw/zinc/08/18/60/941081860.db2.gz BINYBPADMCFHGK-OAHLLOKOSA-N 1 0 373.478 3.624 20 5 FHBDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000180825816 941082026 /nfs/dbraw/zinc/08/20/26/941082026.db2.gz SFYYZPZBIQUAJK-OAHLLOKOSA-N 1 0 373.478 3.624 20 5 FHBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CCC[C@H]2CCC(C)C)c([N+](=O)[O-])c1 ZINC000472609325 941091235 /nfs/dbraw/zinc/09/12/35/941091235.db2.gz LOTLDCXXYDRHRH-HOCLYGCPSA-N 1 0 363.458 3.736 20 5 FHBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000236733930 941103750 /nfs/dbraw/zinc/10/37/50/941103750.db2.gz DGGNPJSKGSEYLS-KRWDZBQOSA-N 1 0 361.829 3.801 20 5 FHBDRO Cc1ccc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1[N+](=O)[O-] ZINC000181122788 941109919 /nfs/dbraw/zinc/10/99/19/941109919.db2.gz NKNVQYNEPYPEDZ-UHFFFAOYSA-N 1 0 368.359 3.956 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000189170326 941149339 /nfs/dbraw/zinc/14/93/39/941149339.db2.gz ZMNCQKDWTLNRPT-MRXNPFEDSA-N 1 0 367.449 3.529 20 5 FHBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000311249056 941149999 /nfs/dbraw/zinc/14/99/99/941149999.db2.gz VNFLQWPNDDLBSY-HOCLYGCPSA-N 1 0 363.458 3.720 20 5 FHBDRO Cc1c(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000311315130 941233702 /nfs/dbraw/zinc/23/37/02/941233702.db2.gz KASHFHNDFZQKIN-UHFFFAOYSA-N 1 0 363.458 3.829 20 5 FHBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 ZINC000236735149 941289012 /nfs/dbraw/zinc/28/90/12/941289012.db2.gz STPWLXOPORGKOY-INIZCTEOSA-N 1 0 361.829 3.801 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414657182 941428778 /nfs/dbraw/zinc/42/87/78/941428778.db2.gz JZLUHAJHZSYRPW-KRWDZBQOSA-N 1 0 356.426 3.848 20 5 FHBDRO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000414656395 941428788 /nfs/dbraw/zinc/42/87/88/941428788.db2.gz FOVKQOFRIBGDDV-DOTOQJQBSA-N 1 0 354.454 3.532 20 5 FHBDRO [NH3+]C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 ZINC000414853742 941486204 /nfs/dbraw/zinc/48/62/04/941486204.db2.gz SXNCEJSDAHMWEE-KRWDZBQOSA-N 1 0 360.483 3.716 20 5 FHBDRO CC1(C)C[NH2+]CC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414977363 941531235 /nfs/dbraw/zinc/53/12/35/941531235.db2.gz RIZPBLTXOQGJRY-KRWDZBQOSA-N 1 0 363.845 3.986 20 5 FHBDRO [NH3+]CC[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(F)(F)F ZINC000415062352 941579558 /nfs/dbraw/zinc/57/95/58/941579558.db2.gz YJLLUUPNHAAGTM-CQSZACIVSA-N 1 0 359.373 3.693 20 5 FHBDRO C[C@H]1[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000311929197 941659272 /nfs/dbraw/zinc/65/92/72/941659272.db2.gz FYFDVNYPJJGVNA-GUYCJALGSA-N 1 0 373.840 3.641 20 5 FHBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415194294 941662440 /nfs/dbraw/zinc/66/24/40/941662440.db2.gz MUPXWQVUFKOBMZ-SCLBCKFNSA-N 1 0 370.409 3.507 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000181552081 941677492 /nfs/dbraw/zinc/67/74/92/941677492.db2.gz JMGDBCXKCSJEME-HXUWFJFHSA-N 1 0 367.449 3.843 20 5 FHBDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000549227264 941678954 /nfs/dbraw/zinc/67/89/54/941678954.db2.gz DDBGLDSEBFYKAZ-VQTJNVASSA-N 1 0 368.433 3.909 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000415306917 941744095 /nfs/dbraw/zinc/74/40/95/941744095.db2.gz YSGWBGPTUGZELS-MRXNPFEDSA-N 1 0 356.426 3.813 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000445881532 941745906 /nfs/dbraw/zinc/74/59/06/941745906.db2.gz TZDZBHPSKLROSJ-CQSZACIVSA-N 1 0 361.364 3.798 20 5 FHBDRO COc1ccccc1O[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000513361368 941869551 /nfs/dbraw/zinc/86/95/51/941869551.db2.gz JNSFQIXHMFTEKZ-SFHVURJKSA-N 1 0 372.421 3.526 20 5 FHBDRO COc1cccc(C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C2CC2)c1 ZINC000513367614 941872676 /nfs/dbraw/zinc/87/26/76/941872676.db2.gz VKBPOMJKQMJIRX-LJQANCHMSA-N 1 0 356.422 3.723 20 5 FHBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000119728920 941900579 /nfs/dbraw/zinc/90/05/79/941900579.db2.gz SKROCZLKSRGVFC-CYBMUJFWSA-N 1 0 366.849 3.588 20 5 FHBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000182418345 941922182 /nfs/dbraw/zinc/92/21/82/941922182.db2.gz ZUKKNPGEKPSTIP-JTQLQIEISA-N 1 0 367.327 3.563 20 5 FHBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cc2ccccc2o1 ZINC000182633557 941956526 /nfs/dbraw/zinc/95/65/26/941956526.db2.gz WTZNDNDDZDKCCX-CYBMUJFWSA-N 1 0 365.389 3.581 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000182877679 941977326 /nfs/dbraw/zinc/97/73/26/941977326.db2.gz NMLRWIKEAVDJKJ-MRXNPFEDSA-N 1 0 359.470 3.689 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182931261 942009706 /nfs/dbraw/zinc/00/97/06/942009706.db2.gz WDROLWPSPLLOIP-LSDHHAIUSA-N 1 0 360.458 3.678 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182931283 942009856 /nfs/dbraw/zinc/00/98/56/942009856.db2.gz WDROLWPSPLLOIP-HUUCEWRRSA-N 1 0 360.458 3.678 20 5 FHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCc1nnc2n1CCCCC2 ZINC000468624468 942028976 /nfs/dbraw/zinc/02/89/76/942028976.db2.gz AJSXLKQDCXELEX-SSZFMOIBSA-N 1 0 369.469 3.538 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000085620748 942031724 /nfs/dbraw/zinc/03/17/24/942031724.db2.gz QIGAUCZQVLBEKF-QGZVFWFLSA-N 1 0 356.426 3.636 20 5 FHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)ccc1Br ZINC000828906061 942050359 /nfs/dbraw/zinc/05/03/59/942050359.db2.gz UNQOZQLAEWOTRG-ZFWWWQNUSA-N 1 0 369.259 3.748 20 5 FHBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[N@@H+]1CCCC[C@@H]1C ZINC000549365741 942060340 /nfs/dbraw/zinc/06/03/40/942060340.db2.gz CCVFDRAJUWRFKD-NWDGAFQWSA-N 1 0 373.375 3.606 20 5 FHBDRO Cc1c(NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000513671699 942067434 /nfs/dbraw/zinc/06/74/34/942067434.db2.gz LCMROTHZYDLJBK-UHFFFAOYSA-N 1 0 370.453 3.935 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000513660975 942070626 /nfs/dbraw/zinc/07/06/26/942070626.db2.gz OWUJYYSEPBQWTR-UHFFFAOYSA-N 1 0 370.453 3.935 20 5 FHBDRO Cc1ccc([C@@]2(C)CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000501875667 942098870 /nfs/dbraw/zinc/09/88/70/942098870.db2.gz SAMLZIHXWIZWIM-NRFANRHFSA-N 1 0 367.449 3.895 20 5 FHBDRO CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000415908171 942135771 /nfs/dbraw/zinc/13/57/71/942135771.db2.gz OWEUUEBWQURDPS-CQSZACIVSA-N 1 0 356.426 3.895 20 5 FHBDRO CCC[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000168180242 942171757 /nfs/dbraw/zinc/17/17/57/942171757.db2.gz JVTYWLXGKZEMDZ-YJBOKZPZSA-N 1 0 358.417 3.839 20 5 FHBDRO Cc1sc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1[N+](=O)[O-] ZINC000103093930 942205730 /nfs/dbraw/zinc/20/57/30/942205730.db2.gz VLGSPLDXTGXMQX-OAHLLOKOSA-N 1 0 365.499 3.693 20 5 FHBDRO CO[C@]1(C)CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000280572640 942209766 /nfs/dbraw/zinc/20/97/66/942209766.db2.gz SCIMHMYOSYWRNW-FZKQIMNGSA-N 1 0 360.414 3.597 20 5 FHBDRO C[NH2+]Cc1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000415980443 942223272 /nfs/dbraw/zinc/22/32/72/942223272.db2.gz GPUJVAMEHJJEFA-UHFFFAOYSA-N 1 0 354.410 3.511 20 5 FHBDRO COc1ccccc1C(C)(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000103484085 942268207 /nfs/dbraw/zinc/26/82/07/942268207.db2.gz MUOGXONJCCMWSC-UHFFFAOYSA-N 1 0 371.437 3.765 20 5 FHBDRO COc1ccc(C[NH2+]CCOc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000237148499 942285443 /nfs/dbraw/zinc/28/54/43/942285443.db2.gz JGVFYVHTRYSVHV-UHFFFAOYSA-N 1 0 370.327 3.791 20 5 FHBDRO CC(C)(C)c1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000501086744 942291498 /nfs/dbraw/zinc/29/14/98/942291498.db2.gz XAGXIHZBJFVAKI-HUUCEWRRSA-N 1 0 360.458 3.641 20 5 FHBDRO COC(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000584557175 942299706 /nfs/dbraw/zinc/29/97/06/942299706.db2.gz MQQYDCMKLKXIDJ-UHFFFAOYSA-N 1 0 366.373 3.931 20 5 FHBDRO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000502241899 942302956 /nfs/dbraw/zinc/30/29/56/942302956.db2.gz JRKNLECTLLVSBP-UHFFFAOYSA-N 1 0 369.343 3.956 20 5 FHBDRO Cc1cccc(NC[C@@H]2CCN(c3ccc([N+](=O)[O-])c4ncccc34)C2)[nH+]1 ZINC000413116227 942311313 /nfs/dbraw/zinc/31/13/13/942311313.db2.gz YJSDFLLJXUOFSL-HNNXBMFYSA-N 1 0 363.421 3.785 20 5 FHBDRO CSc1cccc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000188060088 942317998 /nfs/dbraw/zinc/31/79/98/942317998.db2.gz BHXOZUOEUGVYHQ-CQSZACIVSA-N 1 0 365.499 3.559 20 5 FHBDRO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCC(CO)CC1 ZINC000290659694 942337178 /nfs/dbraw/zinc/33/71/78/942337178.db2.gz ZNXYKSPVTWBKEZ-UHFFFAOYSA-N 1 0 361.467 3.701 20 5 FHBDRO O=[N+]([O-])c1cnc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(F)c1 ZINC000413131749 942342346 /nfs/dbraw/zinc/34/23/46/942342346.db2.gz AIJCBZLWPBHSPV-MQVJKMGUSA-N 1 0 356.401 3.736 20 5 FHBDRO Cc1cccc(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000103971786 942357966 /nfs/dbraw/zinc/35/79/66/942357966.db2.gz GQXLHRDONAOLEY-HNNXBMFYSA-N 1 0 355.438 3.762 20 5 FHBDRO C[NH+](C)[C@H](CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000416180045 942445592 /nfs/dbraw/zinc/44/55/92/942445592.db2.gz OBHVIZXQGSKALV-HXUWFJFHSA-N 1 0 367.449 3.779 20 5 FHBDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000502490336 942470150 /nfs/dbraw/zinc/47/01/50/942470150.db2.gz CYFSLVCAFQRVPV-UHFFFAOYSA-N 1 0 371.462 3.704 20 5 FHBDRO CCOCc1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)ccc1OC ZINC000549408315 942474798 /nfs/dbraw/zinc/47/47/98/942474798.db2.gz NKSNCHRPVZZJLS-UHFFFAOYSA-N 1 0 358.438 3.814 20 5 FHBDRO CCCN1C[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1=O ZINC000421352585 942503811 /nfs/dbraw/zinc/50/38/11/942503811.db2.gz ONOAWWNFENOLAS-AWEZNQCLSA-N 1 0 373.478 3.671 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]CCCC3(O)CCC3)o2)c([N+](=O)[O-])c1 ZINC000421381924 942537209 /nfs/dbraw/zinc/53/72/09/942537209.db2.gz XMRVZJVSVXAOTP-UHFFFAOYSA-N 1 0 360.410 3.648 20 5 FHBDRO CC[C@H]1C[C@]1([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(C)c1 ZINC000502566828 942547700 /nfs/dbraw/zinc/54/77/00/942547700.db2.gz SJVXDCKNQDAHAG-HRAATJIYSA-N 1 0 367.449 3.781 20 5 FHBDRO [NH3+][C@@H]1CCC[C@@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000420275857 942600726 /nfs/dbraw/zinc/60/07/26/942600726.db2.gz HCXGPMPLBPPAHC-RKDXNWHRSA-N 1 0 368.306 3.573 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000183308252 942637982 /nfs/dbraw/zinc/63/79/82/942637982.db2.gz AAQMMKRRRPWERT-UHFFFAOYSA-N 1 0 359.470 3.564 20 5 FHBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000501758456 942661872 /nfs/dbraw/zinc/66/18/72/942661872.db2.gz YFKMFJZVKTXITG-STQMWFEESA-N 1 0 368.865 3.738 20 5 FHBDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1cc2ccccc2c([N+](=O)[O-])c1 ZINC001167946159 942675064 /nfs/dbraw/zinc/67/50/64/942675064.db2.gz PKLIBKIPYHUKTG-KRWDZBQOSA-N 1 0 373.453 3.999 20 5 FHBDRO O=C(c1ccc(Cl)cc1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000378402548 942723242 /nfs/dbraw/zinc/72/32/42/942723242.db2.gz LSKQZBNTPRXZKM-UHFFFAOYSA-N 1 0 373.840 3.643 20 5 FHBDRO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000514081511 942733656 /nfs/dbraw/zinc/73/36/56/942733656.db2.gz CCXVPQFSYSITSA-HNAYVOBHSA-N 1 0 350.422 3.811 20 5 FHBDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000183630276 942754453 /nfs/dbraw/zinc/75/44/53/942754453.db2.gz LJBNCJJUZIBLDR-GJZGRUSLSA-N 1 0 370.405 3.740 20 5 FHBDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000513754949 942756318 /nfs/dbraw/zinc/75/63/18/942756318.db2.gz OOXJPNMTOZQJKJ-IBGZPJMESA-N 1 0 368.433 3.977 20 5 FHBDRO Cc1cccc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)c1[N+](=O)[O-] ZINC000425091676 942765767 /nfs/dbraw/zinc/76/57/67/942765767.db2.gz ZFOYEFBQAFYRRZ-UHFFFAOYSA-N 1 0 374.466 3.769 20 5 FHBDRO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000434621144 942793877 /nfs/dbraw/zinc/79/38/77/942793877.db2.gz POBVPDGIWNIWFC-GOSISDBHSA-N 1 0 359.401 3.662 20 5 FHBDRO C[C@@H]([NH2+][C@H](c1ccccn1)C1CCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000378466757 942796772 /nfs/dbraw/zinc/79/67/72/942796772.db2.gz MMILVWBCOUHMFW-KUHUBIRLSA-N 1 0 368.437 3.838 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000421755643 942799526 /nfs/dbraw/zinc/79/95/26/942799526.db2.gz HDFDIRPLCLVIED-UHFFFAOYSA-N 1 0 359.470 3.596 20 5 FHBDRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000514230048 942839793 /nfs/dbraw/zinc/83/97/93/942839793.db2.gz HGLYYDNNFUVNPN-IBGZPJMESA-N 1 0 372.421 3.828 20 5 FHBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000378613919 942959832 /nfs/dbraw/zinc/95/98/32/942959832.db2.gz AHIPUMGSFVLPRX-SJORKVTESA-N 1 0 371.462 3.535 20 5 FHBDRO C[C@@H]1CN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000414660869 943138703 /nfs/dbraw/zinc/13/87/03/943138703.db2.gz ORDJCCRZUIDIRE-CRAIPNDOSA-N 1 0 354.454 3.532 20 5 FHBDRO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505607622 943165770 /nfs/dbraw/zinc/16/57/70/943165770.db2.gz MNBRATZENQBPSM-DJJJIMSYSA-N 1 0 367.405 3.762 20 5 FHBDRO COc1cccc([C@@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)c1 ZINC000505637250 943269364 /nfs/dbraw/zinc/26/93/64/943269364.db2.gz RGBUQKCAVHQTLR-MRXNPFEDSA-N 1 0 355.438 3.795 20 5 FHBDRO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549464172 943336707 /nfs/dbraw/zinc/33/67/07/943336707.db2.gz LGRPHRFIWDRTMZ-ZDUSSCGKSA-N 1 0 368.355 3.997 20 5 FHBDRO C[NH2+]C[C@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000435386871 943374805 /nfs/dbraw/zinc/37/48/05/943374805.db2.gz VULBTIOGAZZYQH-OAHLLOKOSA-N 1 0 359.401 3.568 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(c3ccccn3)C1)CCCC2 ZINC000417314622 943509534 /nfs/dbraw/zinc/50/95/34/943509534.db2.gz ZHJYCLLEGGTGQY-APWZRJJASA-N 1 0 352.438 3.626 20 5 FHBDRO CNC(=O)c1cccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417349176 943528397 /nfs/dbraw/zinc/52/83/97/943528397.db2.gz ZSYFNFUDGNPUQP-LJQANCHMSA-N 1 0 353.422 3.512 20 5 FHBDRO CCOc1ccc([C@@H](C)NC[C@H]([NH3+])c2ccccc2CC)cc1[N+](=O)[O-] ZINC000423513084 943542151 /nfs/dbraw/zinc/54/21/51/943542151.db2.gz VAZADTYVRRBQMQ-KDOFPFPSSA-N 1 0 357.454 3.907 20 5 FHBDRO CC(C)Oc1ccc([C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000515250259 943586220 /nfs/dbraw/zinc/58/62/20/943586220.db2.gz XTBMDCWJAUYQIP-KRWDZBQOSA-N 1 0 363.483 3.836 20 5 FHBDRO CC(C)[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CCOCC1 ZINC000425411781 943800318 /nfs/dbraw/zinc/80/03/18/943800318.db2.gz DLGGJGUSUWZXBQ-UHFFFAOYSA-N 1 0 357.248 3.747 20 5 FHBDRO Cn1c(-c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)ccc1[N+](=O)[O-] ZINC000504805584 943804169 /nfs/dbraw/zinc/80/41/69/943804169.db2.gz VLYCDGQOEJIFOE-UHFFFAOYSA-N 1 0 367.409 3.636 20 5 FHBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425414297 943849023 /nfs/dbraw/zinc/84/90/23/943849023.db2.gz FTBKFJJMOLHFIF-ZDUSSCGKSA-N 1 0 370.291 3.521 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(C)C[C@H]1c1ccccc1 ZINC000515403156 943851103 /nfs/dbraw/zinc/85/11/03/943851103.db2.gz MTDHXDGHDNYQEM-IBGZPJMESA-N 1 0 368.437 3.732 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(NC(N)=O)cc1 ZINC000504900214 943877330 /nfs/dbraw/zinc/87/73/30/943877330.db2.gz UBDCFCBPMDLXNO-AWEZNQCLSA-N 1 0 374.466 3.746 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccc(OC)n1 ZINC000504895641 943893299 /nfs/dbraw/zinc/89/32/99/943893299.db2.gz VSZWMEJNWSRCMD-AWEZNQCLSA-N 1 0 361.467 3.701 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000504917950 943898192 /nfs/dbraw/zinc/89/81/92/943898192.db2.gz DOIVPNVGHREDHA-INIZCTEOSA-N 1 0 373.478 3.615 20 5 FHBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425428827 943901929 /nfs/dbraw/zinc/90/19/29/943901929.db2.gz YCVOZBOQNIACOV-CYBMUJFWSA-N 1 0 370.291 3.521 20 5 FHBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000417847008 943908325 /nfs/dbraw/zinc/90/83/25/943908325.db2.gz JXTMURFAWCTEAN-YJBOKZPZSA-N 1 0 370.453 3.744 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)Cn1ccnc1C ZINC000504912463 943908613 /nfs/dbraw/zinc/90/86/13/943908613.db2.gz WQESZZULQNKEAV-GOEBONIOSA-N 1 0 362.499 3.896 20 5 FHBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312614933 943980318 /nfs/dbraw/zinc/98/03/18/943980318.db2.gz ZYYRLKLZOPDTNP-HOCLYGCPSA-N 1 0 370.409 3.826 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000511645712 944001399 /nfs/dbraw/zinc/00/13/99/944001399.db2.gz GXTWPSXOPTZQFT-VAMGGRTRSA-N 1 0 368.433 3.608 20 5 FHBDRO O=C(CC[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500113363 944128633 /nfs/dbraw/zinc/12/86/33/944128633.db2.gz GMTPFXNMVRFFIM-MRXNPFEDSA-N 1 0 371.412 3.627 20 5 FHBDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500126387 944141495 /nfs/dbraw/zinc/14/14/95/944141495.db2.gz RZXVNNFEZGRGKB-HOCLYGCPSA-N 1 0 371.412 3.941 20 5 FHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000436280702 944160246 /nfs/dbraw/zinc/16/02/46/944160246.db2.gz CJVUCRDWZZAKGH-QRQLOZEOSA-N 1 0 373.497 3.687 20 5 FHBDRO COc1cccc(C2(F)CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000500139313 944162291 /nfs/dbraw/zinc/16/22/91/944162291.db2.gz MWXBQICLHJWROP-UHFFFAOYSA-N 1 0 374.412 3.943 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(CNCCC[NH2+]Cc3cccnc3)o2)c1 ZINC000414881469 944200294 /nfs/dbraw/zinc/20/02/94/944200294.db2.gz RJQAATVSDMSODC-UHFFFAOYSA-N 1 0 366.421 3.519 20 5 FHBDRO Cc1ccc(C[C@H]2CCC[N@@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000500182103 944223539 /nfs/dbraw/zinc/22/35/39/944223539.db2.gz QMIMHPHMVDCGTK-GOSISDBHSA-N 1 0 367.449 3.857 20 5 FHBDRO COc1ccc(C[NH2+]CCc2ccc(OCC(C)C)cc2)cc1[N+](=O)[O-] ZINC000518288840 944238740 /nfs/dbraw/zinc/23/87/40/944238740.db2.gz YUHVBTBMJCUZMT-UHFFFAOYSA-N 1 0 358.438 3.971 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436376802 944245796 /nfs/dbraw/zinc/24/57/96/944245796.db2.gz DAKLJHOASHYYPJ-KRWDZBQOSA-N 1 0 360.458 3.822 20 5 FHBDRO COc1cc(C[NH2+]CCSC)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237146280 944255186 /nfs/dbraw/zinc/25/51/86/944255186.db2.gz VXNZURGRWMFERD-UHFFFAOYSA-N 1 0 362.451 3.635 20 5 FHBDRO COc1cccc([C@H](CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)[NH+](C)C)c1 ZINC000566609069 944281358 /nfs/dbraw/zinc/28/13/58/944281358.db2.gz MVUYRZCKCOVJAW-IBGZPJMESA-N 1 0 357.410 3.521 20 5 FHBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(F)c1 ZINC000518336046 944282959 /nfs/dbraw/zinc/28/29/59/944282959.db2.gz OZHKIBZPKFHQFI-QFBILLFUSA-N 1 0 370.428 3.620 20 5 FHBDRO CC1(C)CCC[NH2+][C@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414923834 944395484 /nfs/dbraw/zinc/39/54/84/944395484.db2.gz GECADLIZJKXFFT-INIZCTEOSA-N 1 0 360.483 3.586 20 5 FHBDRO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000425960791 944414353 /nfs/dbraw/zinc/41/43/53/944414353.db2.gz YWKAEBMJRIQEJL-NWDGAFQWSA-N 1 0 350.802 3.711 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(c3ccccc3F)C1)CCC2 ZINC000426307556 944431246 /nfs/dbraw/zinc/43/12/46/944431246.db2.gz RXWIYOJWJCFFQX-HNAYVOBHSA-N 1 0 355.413 3.980 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)C1CC1 ZINC000426307749 944433042 /nfs/dbraw/zinc/43/30/42/944433042.db2.gz SRFKSNHPOCMNJV-MJGOQNOKSA-N 1 0 369.440 3.924 20 5 FHBDRO CC(C)COc1cccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000425976364 944472628 /nfs/dbraw/zinc/47/26/28/944472628.db2.gz FVMKREFFOOESNX-UHFFFAOYSA-N 1 0 358.442 3.663 20 5 FHBDRO C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000439324325 944537135 /nfs/dbraw/zinc/53/71/35/944537135.db2.gz RZIKNSXFMUZXKC-SJLPKXTDSA-N 1 0 367.449 3.826 20 5 FHBDRO C[C@H]1C[C@H](c2ccccc2)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000439324324 944537474 /nfs/dbraw/zinc/53/74/74/944537474.db2.gz RZIKNSXFMUZXKC-FUHWJXTLSA-N 1 0 367.449 3.826 20 5 FHBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1O ZINC000438367850 944538900 /nfs/dbraw/zinc/53/89/00/944538900.db2.gz XWSMXYDHOWTQGT-DOTOQJQBSA-N 1 0 356.422 3.810 20 5 FHBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCc2ccccc21 ZINC000015291597 944593132 /nfs/dbraw/zinc/59/31/32/944593132.db2.gz YUWUVQMTORNETA-IBGZPJMESA-N 1 0 354.406 3.971 20 5 FHBDRO CC(C)c1ccc(C(=O)NCCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000439409557 944598589 /nfs/dbraw/zinc/59/85/89/944598589.db2.gz JFMKBXZUCXLSHW-UHFFFAOYSA-N 1 0 361.486 3.960 20 5 FHBDRO C[C@H](C[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000066853632 944636726 /nfs/dbraw/zinc/63/67/26/944636726.db2.gz GOIMDXGNUWZJMP-CQSZACIVSA-N 1 0 352.394 3.880 20 5 FHBDRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000566701780 944638261 /nfs/dbraw/zinc/63/82/61/944638261.db2.gz JZRLTUMVZVFFFM-VBKZILBWSA-N 1 0 353.422 3.984 20 5 FHBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@](C)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000438490133 944684331 /nfs/dbraw/zinc/68/43/31/944684331.db2.gz KNLWHRUPYALTHN-NRFANRHFSA-N 1 0 367.449 3.895 20 5 FHBDRO CC(C)[C@H]1CC[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000438491645 944684381 /nfs/dbraw/zinc/68/43/81/944684381.db2.gz NEFKQRCJNKGYDS-AWEZNQCLSA-N 1 0 374.466 3.635 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000438498693 944694109 /nfs/dbraw/zinc/69/41/09/944694109.db2.gz FVFGJFBIQSNDGL-NRFANRHFSA-N 1 0 367.449 3.895 20 5 FHBDRO CC(C)[N@H+](CCC(=O)Nc1cccc(F)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000517842323 944704775 /nfs/dbraw/zinc/70/47/75/944704775.db2.gz SWTYCLJHQPLRRP-UHFFFAOYSA-N 1 0 359.401 3.973 20 5 FHBDRO C[C@@]1(c2ccccc2)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000438505723 944713520 /nfs/dbraw/zinc/71/35/20/944713520.db2.gz NYJWIWSUNIOFEZ-HXUWFJFHSA-N 1 0 353.422 3.587 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3Cc4ccccc4O3)o2)cc1 ZINC000518772542 944729242 /nfs/dbraw/zinc/72/92/42/944729242.db2.gz KDTCGNHBJBVHGW-GOSISDBHSA-N 1 0 350.374 3.948 20 5 FHBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000438527776 944734750 /nfs/dbraw/zinc/73/47/50/944734750.db2.gz DUVMZAGMCIEJTE-UHFFFAOYSA-N 1 0 373.434 3.607 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C)(C(C)C)CC1 ZINC000426744871 944758582 /nfs/dbraw/zinc/75/85/82/944758582.db2.gz YHRDBAZUJAFKGE-UHFFFAOYSA-N 1 0 363.458 3.690 20 5 FHBDRO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000506278903 944774823 /nfs/dbraw/zinc/77/48/23/944774823.db2.gz CKSLUBVUUINLSC-YJBOKZPZSA-N 1 0 368.437 3.860 20 5 FHBDRO CCOc1cccc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000388535084 944798377 /nfs/dbraw/zinc/79/83/77/944798377.db2.gz PINDLUSTXUJZAK-KRWDZBQOSA-N 1 0 355.438 3.928 20 5 FHBDRO C[C@H]1C[C@@H]1c1noc(CC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000593077197 944823117 /nfs/dbraw/zinc/82/31/17/944823117.db2.gz OUHXNXYRKOEQFZ-BBRMVZONSA-N 1 0 356.426 3.556 20 5 FHBDRO COc1ccc(CN2CC=C(c3c[nH]c4ncccc34)CC2)cc1[N+](=O)[O-] ZINC000506652942 944909065 /nfs/dbraw/zinc/90/90/65/944909065.db2.gz IIFKBSBKTZWQBL-UHFFFAOYSA-N 1 0 364.405 3.769 20 5 FHBDRO C[NH+](C)CC1(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCCCC1 ZINC000426922374 944941815 /nfs/dbraw/zinc/94/18/15/944941815.db2.gz AWSNPQXWIIBGQO-UHFFFAOYSA-N 1 0 359.470 3.598 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000506701374 945033395 /nfs/dbraw/zinc/03/33/95/945033395.db2.gz YSKLXUAANZZHCJ-AWEZNQCLSA-N 1 0 365.499 3.511 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000506701375 945033774 /nfs/dbraw/zinc/03/37/74/945033774.db2.gz YSKLXUAANZZHCJ-CQSZACIVSA-N 1 0 365.499 3.511 20 5 FHBDRO COc1ccccc1[C@@H](CNc1ncc([N+](=O)[O-])cc1C)[NH+]1CCCCC1 ZINC000518140035 945050550 /nfs/dbraw/zinc/05/05/50/945050550.db2.gz OCSFJFJULJQHCM-GOSISDBHSA-N 1 0 370.453 3.946 20 5 FHBDRO COc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)ccc1[N+](=O)[O-] ZINC000511764167 945058896 /nfs/dbraw/zinc/05/88/96/945058896.db2.gz CTZRCGASKIFJDI-GUDVDZBRSA-N 1 0 368.433 3.608 20 5 FHBDRO C[C@@H](NCc1nccn1CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000164242275 945430349 /nfs/dbraw/zinc/43/03/49/945430349.db2.gz UNYKQLCDKGFEPF-MRXNPFEDSA-N 1 0 350.422 3.885 20 5 FHBDRO CCc1ccc([C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000018180257 945445589 /nfs/dbraw/zinc/44/55/89/945445589.db2.gz GGIPSERQUNEPHN-GOSISDBHSA-N 1 0 356.426 3.582 20 5 FHBDRO Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549524982 945604867 /nfs/dbraw/zinc/60/48/67/945604867.db2.gz OYFYHCVGWNQEHN-TZMCWYRMSA-N 1 0 357.376 3.843 20 5 FHBDRO C[NH+](C)CC[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(C)(C)C ZINC001126030018 945707890 /nfs/dbraw/zinc/70/78/90/945707890.db2.gz FCBFGTQSRGYTJI-QGZVFWFLSA-N 1 0 363.502 3.989 20 5 FHBDRO Cc1sc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000067361450 945720862 /nfs/dbraw/zinc/72/08/62/945720862.db2.gz DDPSOYUGQMKQAJ-INIZCTEOSA-N 1 0 373.478 3.607 20 5 FHBDRO C[C@@H]([NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1)c1ccccc1[N+](=O)[O-] ZINC000550075185 945725282 /nfs/dbraw/zinc/72/52/82/945725282.db2.gz QUURQRUUIWIOPO-QWHCGFSZSA-N 1 0 359.392 3.908 20 5 FHBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000519771465 945728566 /nfs/dbraw/zinc/72/85/66/945728566.db2.gz QCBWMJQMJUXYIG-DZGCQCFKSA-N 1 0 371.462 3.555 20 5 FHBDRO O=[N+]([O-])c1ccc([C@@H](NCCCNc2ccccn2)C(F)(F)F)cc1 ZINC000519831656 945792849 /nfs/dbraw/zinc/79/28/49/945792849.db2.gz WSILVPRNXXCSRV-OAHLLOKOSA-N 1 0 354.332 3.685 20 5 FHBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000550097790 945831781 /nfs/dbraw/zinc/83/17/81/945831781.db2.gz UFKYECLTOGYPGV-WFASDCNBSA-N 1 0 357.376 3.672 20 5 FHBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000487351186 946015109 /nfs/dbraw/zinc/01/51/09/946015109.db2.gz GCEJDTOTPFDKNZ-AWEZNQCLSA-N 1 0 373.478 3.816 20 5 FHBDRO C[C@@H]1C[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H](C)O1 ZINC000108931074 946085526 /nfs/dbraw/zinc/08/55/26/946085526.db2.gz RWNXBGABIFRIRA-TXEJJXNPSA-N 1 0 361.364 3.525 20 5 FHBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000248748061 946097049 /nfs/dbraw/zinc/09/70/49/946097049.db2.gz SMYIOLHPHPIAAX-OSAQELSMSA-N 1 0 354.834 3.706 20 5 FHBDRO CCOc1ccc(NC(=O)C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000444240755 946117137 /nfs/dbraw/zinc/11/71/37/946117137.db2.gz DGGAWPPBKJCSDC-CPUCHLNUSA-N 1 0 361.442 3.585 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000109095075 946137382 /nfs/dbraw/zinc/13/73/82/946137382.db2.gz VAYVCOOURPUPOI-IBGZPJMESA-N 1 0 353.422 3.851 20 5 FHBDRO C[C@H](CC[NH+](C)C)NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000438493773 946273995 /nfs/dbraw/zinc/27/39/95/946273995.db2.gz PMLYZVTVYIQIIK-CQSZACIVSA-N 1 0 372.425 3.849 20 5 FHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(C[NH+](C)C)cc1F ZINC000414493055 946297441 /nfs/dbraw/zinc/29/74/41/946297441.db2.gz BJFOJPUFSFOBKP-CYBMUJFWSA-N 1 0 374.416 3.625 20 5 FHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1nn(C)c2ccccc12 ZINC000186478341 946370723 /nfs/dbraw/zinc/37/07/23/946370723.db2.gz AGMFZKGKVDNTQT-OAHLLOKOSA-N 1 0 352.438 3.635 20 5 FHBDRO CCC[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000310823820 946397531 /nfs/dbraw/zinc/39/75/31/946397531.db2.gz HIZXXMBNRZYBDD-XJKSGUPXSA-N 1 0 351.447 3.939 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000475154035 946496965 /nfs/dbraw/zinc/49/69/65/946496965.db2.gz PPKPCPDMWJDURM-HOTGVXAUSA-N 1 0 363.458 3.736 20 5 FHBDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000441373794 946525414 /nfs/dbraw/zinc/52/54/14/946525414.db2.gz FKQDDZMRJSKOEA-UYAOXDASSA-N 1 0 372.465 3.596 20 5 FHBDRO CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475544918 946628473 /nfs/dbraw/zinc/62/84/73/946628473.db2.gz WVIKEPPRPMBOTR-MRXNPFEDSA-N 1 0 373.840 3.595 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000475544516 946628682 /nfs/dbraw/zinc/62/86/82/946628682.db2.gz GNFLIVXYOFLGKT-ZDUSSCGKSA-N 1 0 362.474 3.844 20 5 FHBDRO Cn1cc(C[NH2+]CCc2ccc(F)c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000190294984 946665541 /nfs/dbraw/zinc/66/55/41/946665541.db2.gz JFUKIRNCMKBGER-UHFFFAOYSA-N 1 0 372.375 3.606 20 5 FHBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1O ZINC000475561028 946666237 /nfs/dbraw/zinc/66/62/37/946666237.db2.gz XEQYYGKUTBRLCG-XJKSGUPXSA-N 1 0 360.385 3.874 20 5 FHBDRO COc1cccc([C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)N(C)C)c1 ZINC000237310114 946717149 /nfs/dbraw/zinc/71/71/49/946717149.db2.gz MJZBJDXRYDATLQ-GOSISDBHSA-N 1 0 363.845 3.649 20 5 FHBDRO CC[NH+](CC)[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000440412058 946750700 /nfs/dbraw/zinc/75/07/00/946750700.db2.gz UQPWTAIQCVKVPU-IBGZPJMESA-N 1 0 353.422 3.567 20 5 FHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000248368845 946874156 /nfs/dbraw/zinc/87/41/56/946874156.db2.gz VQJBPLNAMOLDAQ-IRXDYDNUSA-N 1 0 367.449 3.798 20 5 FHBDRO CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475314302 946874216 /nfs/dbraw/zinc/87/42/16/946874216.db2.gz SSANQFAQMWUNFJ-KRWDZBQOSA-N 1 0 373.840 3.595 20 5 FHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000248368846 946874344 /nfs/dbraw/zinc/87/43/44/946874344.db2.gz VQJBPLNAMOLDAQ-SJORKVTESA-N 1 0 367.449 3.798 20 5 FHBDRO Cc1cc(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000487386268 946919858 /nfs/dbraw/zinc/91/98/58/946919858.db2.gz GLKKGAOOGVUPJV-FUHWJXTLSA-N 1 0 367.449 3.544 20 5 FHBDRO CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000458888538 946938806 /nfs/dbraw/zinc/93/88/06/946938806.db2.gz LWGDBZWIADCFQW-INIZCTEOSA-N 1 0 362.474 3.563 20 5 FHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@]3(c4ccccc4)CCCO3)nc2c1 ZINC000897233645 946979001 /nfs/dbraw/zinc/97/90/01/946979001.db2.gz YCQGFABTJOWKRD-IBGZPJMESA-N 1 0 353.378 3.532 20 5 FHBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](COC(N)=O)Cc1ccccc1 ZINC000840961131 947046336 /nfs/dbraw/zinc/04/63/36/947046336.db2.gz QYAXTSWBFLIWFF-QWSHFYNQSA-N 1 0 369.421 3.708 20 5 FHBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000523343649 947163313 /nfs/dbraw/zinc/16/33/13/947163313.db2.gz UGBDOZQSKYJMLW-AWEZNQCLSA-N 1 0 365.499 3.701 20 5 FHBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(OC)cc1 ZINC000181835448 947376373 /nfs/dbraw/zinc/37/63/73/947376373.db2.gz LGHNEKWRWRTXJL-GOSISDBHSA-N 1 0 371.437 3.981 20 5 FHBDRO O=[N+]([O-])c1cccc(OCC[N@@H+](Cc2ccccc2)CC2CCOCC2)c1 ZINC000523608402 947413996 /nfs/dbraw/zinc/41/39/96/947413996.db2.gz CRYKJHYXMJUJBN-UHFFFAOYSA-N 1 0 370.449 3.902 20 5 FHBDRO CSc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000440638805 947446408 /nfs/dbraw/zinc/44/64/08/947446408.db2.gz QUMYNOHNBOLNRU-STQMWFEESA-N 1 0 359.451 3.995 20 5 FHBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000567965799 947542926 /nfs/dbraw/zinc/54/29/26/947542926.db2.gz CBLIXRRLSGWJGE-KXBFYZLASA-N 1 0 372.469 3.511 20 5 FHBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000072837842 947570269 /nfs/dbraw/zinc/57/02/69/947570269.db2.gz FWTLPJGRGMSPPV-GDBMZVCRSA-N 1 0 365.499 3.838 20 5 FHBDRO CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072837801 947570601 /nfs/dbraw/zinc/57/06/01/947570601.db2.gz UORBXCABYGZWPT-YPMHNXCESA-N 1 0 371.890 3.793 20 5 FHBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072837797 947570713 /nfs/dbraw/zinc/57/07/13/947570713.db2.gz UORBXCABYGZWPT-DGCLKSJQSA-N 1 0 371.890 3.793 20 5 FHBDRO C[NH+](C)Cc1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000016102305 947731412 /nfs/dbraw/zinc/73/14/12/947731412.db2.gz QYKIUOVEUMNGHM-UHFFFAOYSA-N 1 0 369.446 3.801 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)Cc3ccccc3)o2)cc1 ZINC000105492967 948043507 /nfs/dbraw/zinc/04/35/07/948043507.db2.gz FPSDSXDRSHJKBB-SFHVURJKSA-N 1 0 352.390 3.548 20 5 FHBDRO CCc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001126286502 948059357 /nfs/dbraw/zinc/05/93/57/948059357.db2.gz QKZAEHDHAMHWNN-LJQANCHMSA-N 1 0 367.449 3.552 20 5 FHBDRO O=[N+]([O-])c1cccc2c(N3CC[NH+](Cc4cccs4)CC3)ccnc21 ZINC000432333352 948134538 /nfs/dbraw/zinc/13/45/38/948134538.db2.gz BMXMCVJPCCEMOA-UHFFFAOYSA-N 1 0 354.435 3.527 20 5 FHBDRO Cc1ccc(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000520497904 948143202 /nfs/dbraw/zinc/14/32/02/948143202.db2.gz KJGLUKQEIYPZLA-OAHLLOKOSA-N 1 0 355.438 3.762 20 5 FHBDRO C[C@H]1C[NH+](CC2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000432336348 948149156 /nfs/dbraw/zinc/14/91/56/948149156.db2.gz MYNLSPBYBLWDQS-KBPBESRZSA-N 1 0 367.877 3.574 20 5 FHBDRO O=[N+]([O-])c1cccc2c(N3CCC[N@H+](Cc4ccccc4)CC3)ccnc21 ZINC000432339950 948163243 /nfs/dbraw/zinc/16/32/43/948163243.db2.gz VKMANLZIMYJYGQ-UHFFFAOYSA-N 1 0 362.433 3.855 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCCCC[C@H]3CCO)cs2)c1 ZINC000585767832 948278756 /nfs/dbraw/zinc/27/87/56/948278756.db2.gz HVXQAWOCJVTQDD-INIZCTEOSA-N 1 0 361.467 3.845 20 5 FHBDRO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1c[nH]c2ccccc12 ZINC000190463432 948456109 /nfs/dbraw/zinc/45/61/09/948456109.db2.gz AZDZMUARUBRJKE-UHFFFAOYSA-N 1 0 366.421 3.845 20 5 FHBDRO COc1ccc(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000237220732 948564881 /nfs/dbraw/zinc/56/48/81/948564881.db2.gz IDPMZZLWIJYVKL-UHFFFAOYSA-N 1 0 372.421 3.849 20 5 FHBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCc1ccccc1O ZINC000574840689 948566607 /nfs/dbraw/zinc/56/66/07/948566607.db2.gz RQPVBOSJLGOMSZ-UHFFFAOYSA-N 1 0 367.405 3.672 20 5 FHBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000090100066 948618123 /nfs/dbraw/zinc/61/81/23/948618123.db2.gz XTZVZKDFTFTLAV-INIZCTEOSA-N 1 0 354.454 3.825 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CC4C[C@@H]5CC3C[C@H](C4)C5)c2)cc1 ZINC000728898966 948724687 /nfs/dbraw/zinc/72/46/87/948724687.db2.gz AHDXPPFWHQWSEZ-OZSOSCRKSA-N 1 0 352.438 3.926 20 5 FHBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(Cn3ccnc3)cc2)cccc1[N+](=O)[O-] ZINC000152106705 948743046 /nfs/dbraw/zinc/74/30/46/948743046.db2.gz ZCULWMWICFUXHQ-MRXNPFEDSA-N 1 0 350.422 3.999 20 5 FHBDRO O=C(c1ccccc1)c1ccc(NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000014327331 220121945 /nfs/dbraw/zinc/12/19/45/220121945.db2.gz VXONBCHGWOFYGJ-UHFFFAOYSA-N 1 0 365.433 3.865 20 5 FHBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000071808871 221378864 /nfs/dbraw/zinc/37/88/64/221378864.db2.gz WCZRSGXBTKQTNG-UHFFFAOYSA-N 1 0 370.453 3.656 20 5 FHBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452853527 567819003 /nfs/dbraw/zinc/81/90/03/567819003.db2.gz NVSQNIFMPIVLTJ-QZTJIDSGSA-N 1 0 359.470 3.565 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C/C=C\c3ccccc3)CC2)c2ncccc12 ZINC000601686639 567819806 /nfs/dbraw/zinc/81/98/06/567819806.db2.gz LRRVCOLGQFQFFS-YVMONPNESA-N 1 0 374.444 3.978 20 5 FHBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000541786040 567822239 /nfs/dbraw/zinc/82/22/39/567822239.db2.gz UTFVHCQKPZRSSA-UHFFFAOYSA-N 1 0 372.400 3.651 20 5 FHBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(CN3CCCC3=O)cc2)cccc1[N+](=O)[O-] ZINC000128524201 567831020 /nfs/dbraw/zinc/83/10/20/567831020.db2.gz UCNYLMMRRSVQPY-INIZCTEOSA-N 1 0 367.449 3.876 20 5 FHBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000481375836 567863545 /nfs/dbraw/zinc/86/35/45/567863545.db2.gz QUMGOQBMUGOXPB-BLLLJJGKSA-N 1 0 374.466 3.777 20 5 FHBDRO COc1ccc(CN2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)cc1[N+](=O)[O-] ZINC000568148602 567946761 /nfs/dbraw/zinc/94/67/61/567946761.db2.gz DUZZFBFRGHSQFD-KRWDZBQOSA-N 1 0 353.422 3.588 20 5 FHBDRO CC(C)OCCCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602601373 568000555 /nfs/dbraw/zinc/00/05/55/568000555.db2.gz KIHBHSQGROXENY-UHFFFAOYSA-N 1 0 351.266 3.714 20 5 FHBDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000481495986 568005493 /nfs/dbraw/zinc/00/54/93/568005493.db2.gz NSCRNDZQHUZVCY-FZKQIMNGSA-N 1 0 364.829 3.993 20 5 FHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)cc1 ZINC000568510377 568051712 /nfs/dbraw/zinc/05/17/12/568051712.db2.gz WDXYPODSNBRIIP-IBGZPJMESA-N 1 0 351.450 3.882 20 5 FHBDRO CCSCC[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072900599 568056828 /nfs/dbraw/zinc/05/68/28/568056828.db2.gz UVQBKAOVLFWGPB-CQSZACIVSA-N 1 0 353.488 3.695 20 5 FHBDRO COc1cc(C[N@@H+]2CCCC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000481597703 568064150 /nfs/dbraw/zinc/06/41/50/568064150.db2.gz MSCCPZOLAIHALC-LBPRGKRZSA-N 1 0 358.385 3.869 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000481990158 568215904 /nfs/dbraw/zinc/21/59/04/568215904.db2.gz IMRIFKHGDOQNAD-RTBURBONSA-N 1 0 366.465 3.789 20 5 FHBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291639848 568236467 /nfs/dbraw/zinc/23/64/67/568236467.db2.gz GFNNXSAMWBYXEM-JTQLQIEISA-N 1 0 374.268 3.704 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CC(=O)NC)c2ccccc2)cc1[N+](=O)[O-] ZINC000482084068 568257773 /nfs/dbraw/zinc/25/77/73/568257773.db2.gz WOZJVFCMMFOEOY-PBHICJAKSA-N 1 0 371.437 3.522 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000482134031 568278651 /nfs/dbraw/zinc/27/86/51/568278651.db2.gz VVGOWRMXRAPLLY-UHFFFAOYSA-N 1 0 368.437 3.560 20 5 FHBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)ccc1[N+](=O)[O-] ZINC000541955072 568280589 /nfs/dbraw/zinc/28/05/89/568280589.db2.gz UYXAPFAPKZEANA-AWEZNQCLSA-N 1 0 366.421 3.948 20 5 FHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3nc(-c4ccccc4)ncc3C2)cc1 ZINC000604556999 568313935 /nfs/dbraw/zinc/31/39/35/568313935.db2.gz IEKWQQSVOQGQAU-GOSISDBHSA-N 1 0 360.417 3.699 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000569635369 568411557 /nfs/dbraw/zinc/41/15/57/568411557.db2.gz ZXTKKOIPHFGFSW-OALUTQOASA-N 1 0 366.465 3.565 20 5 FHBDRO COc1ccc(-c2ccc(C[N@H+](C)[C@@H](CO)CC(C)C)o2)c([N+](=O)[O-])c1 ZINC000570008898 568449422 /nfs/dbraw/zinc/44/94/22/568449422.db2.gz JXSMKXKNJBXBGU-CQSZACIVSA-N 1 0 362.426 3.702 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000570153776 568455251 /nfs/dbraw/zinc/45/52/51/568455251.db2.gz OGICLCPRHRBLBF-AWEZNQCLSA-N 1 0 367.877 3.654 20 5 FHBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000570248024 568466320 /nfs/dbraw/zinc/46/63/20/568466320.db2.gz HOEHNFIBCAIBQF-IDKBZEPQSA-N 1 0 367.453 3.873 20 5 FHBDRO CCN(CC[NH+]1CCCCCC1)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000482234117 568487507 /nfs/dbraw/zinc/48/75/07/568487507.db2.gz WCGPEXMCQMFHGK-UHFFFAOYSA-N 1 0 362.474 3.941 20 5 FHBDRO CCC1([NH+]2CCCC2)CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000601745401 568487810 /nfs/dbraw/zinc/48/78/10/568487810.db2.gz UJUZDRYDKDSMFS-UHFFFAOYSA-N 1 0 371.437 3.822 20 5 FHBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820920249 606621599 /nfs/dbraw/zinc/62/15/99/606621599.db2.gz OAWVCNOGTGVJCN-SJCJKPOMSA-N 1 0 352.398 3.577 20 5 FHBDRO CC[C@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820926893 607088064 /nfs/dbraw/zinc/08/80/64/607088064.db2.gz XIHIMUAAKKXDRL-PXAZEXFGSA-N 1 0 352.398 3.577 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164626766 719072423 /nfs/dbraw/zinc/07/24/23/719072423.db2.gz PHEDDXDEBNGHOS-WBVHZDCISA-N 1 0 372.856 3.744 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CC3(C2)CC[N@H+](CC2CC2)C3)nc1-c1ccccc1 ZINC001164775021 721302623 /nfs/dbraw/zinc/30/26/23/721302623.db2.gz MRQDMZYMQHBKHB-UHFFFAOYSA-N 1 0 364.449 3.579 20 5 FHBDRO CC[NH+](CC)C1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC001165054162 722007463 /nfs/dbraw/zinc/00/74/63/722007463.db2.gz KZEVRPLBSGFCKZ-UHFFFAOYSA-N 1 0 354.454 3.967 20 5 FHBDRO Cc1nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC001164995769 722191856 /nfs/dbraw/zinc/19/18/56/722191856.db2.gz XVSQODHHKPHIDQ-FQEVSTJZSA-N 1 0 370.428 3.682 20 5 FHBDRO Cc1cccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000061568302 937087094 /nfs/dbraw/zinc/08/70/94/937087094.db2.gz ANHWHAYLHQNACN-UHFFFAOYSA-N 1 0 373.478 3.607 20 5 FHBDRO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(c1ccccc1)c1ccccc1 ZINC000583110887 937128173 /nfs/dbraw/zinc/12/81/73/937128173.db2.gz ZBBHMKGWKXGCJY-HNNXBMFYSA-N 1 0 350.422 3.639 20 5 FHBDRO CCN(CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)CCC(F)(F)F ZINC000577645589 927369017 /nfs/dbraw/zinc/36/90/17/927369017.db2.gz QXQKPNAUEMZDRB-MRXNPFEDSA-N 1 0 359.392 3.836 20 5 FHBDRO CC1(C)[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]2CCO[C@@H]21 ZINC000153934667 927566714 /nfs/dbraw/zinc/56/67/14/927566714.db2.gz YGSSLFSMOZCVIE-PMPSAXMXSA-N 1 0 359.451 3.621 20 5 FHBDRO CC(C)Oc1nc(N2CC3(CC[NH2+]CC3)c3ccccc32)ccc1[N+](=O)[O-] ZINC001167069803 928189343 /nfs/dbraw/zinc/18/93/43/928189343.db2.gz HHECSDPAEGJDGY-UHFFFAOYSA-N 1 0 368.437 3.550 20 5 FHBDRO COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000157567536 928266691 /nfs/dbraw/zinc/26/66/91/928266691.db2.gz IFHSRPTVGAEXFQ-JKSUJKDBSA-N 1 0 355.438 3.781 20 5 FHBDRO COCCOc1cccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000126981517 928360863 /nfs/dbraw/zinc/36/08/63/928360863.db2.gz UPMLENLNMWGVAT-UHFFFAOYSA-N 1 0 356.422 3.785 20 5 FHBDRO CC(C)Oc1cccc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000535968140 937259415 /nfs/dbraw/zinc/25/94/15/937259415.db2.gz DUPAIXDXHADHFC-UHFFFAOYSA-N 1 0 371.437 3.843 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CCO)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000154291379 928692953 /nfs/dbraw/zinc/69/29/53/928692953.db2.gz AREHDASKTDSDLP-RDTXWAMCSA-N 1 0 374.437 3.776 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000274868181 928918980 /nfs/dbraw/zinc/91/89/80/928918980.db2.gz DEKVETCZDKNPFI-OAHLLOKOSA-N 1 0 369.469 3.772 20 5 FHBDRO Cc1ccc(NC(=O)c2ccc(N[C@H](C)CC[NH+](C)C)c([N+](=O)[O-])c2)cc1 ZINC000608974612 928929733 /nfs/dbraw/zinc/92/97/33/928929733.db2.gz PHGPZDAQVJCCBI-OAHLLOKOSA-N 1 0 370.453 3.908 20 5 FHBDRO O=[N+]([O-])c1cc2ccccc2nc1-n1c2ccc(F)cc2c2c1CC[NH2+]C2 ZINC001167087093 928961656 /nfs/dbraw/zinc/96/16/56/928961656.db2.gz IHKXQEZRPNVIPA-UHFFFAOYSA-N 1 0 362.364 3.872 20 5 FHBDRO O=C(CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccccc1 ZINC000164948724 928971141 /nfs/dbraw/zinc/97/11/41/928971141.db2.gz YYQXHEGRMWVHCS-GOSISDBHSA-N 1 0 353.422 3.534 20 5 FHBDRO CC(C)[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc2[nH]c(=O)oc2c1 ZINC000547726423 929000578 /nfs/dbraw/zinc/00/05/78/929000578.db2.gz PPUWVFGMOQFLPC-GOSISDBHSA-N 1 0 355.394 3.971 20 5 FHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430294688 929355278 /nfs/dbraw/zinc/35/52/78/929355278.db2.gz BLFKUKXVPKGCQL-JKSUJKDBSA-N 1 0 353.422 3.641 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000118850477 929764024 /nfs/dbraw/zinc/76/40/24/929764024.db2.gz HXWGOGHTMDVQDL-CPUCHLNUSA-N 1 0 361.442 3.585 20 5 FHBDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000155524480 929893075 /nfs/dbraw/zinc/89/30/75/929893075.db2.gz FONDTESGISPJMY-OAHLLOKOSA-N 1 0 373.478 3.671 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000548010745 929937012 /nfs/dbraw/zinc/93/70/12/929937012.db2.gz ZLMXMRYKPIIJSA-WBVHZDCISA-N 1 0 354.454 3.987 20 5 FHBDRO CN(C)c1cccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000610371188 930174083 /nfs/dbraw/zinc/17/40/83/930174083.db2.gz PSVNZUSZMJSDDF-UHFFFAOYSA-N 1 0 355.438 3.704 20 5 FHBDRO COc1cc2c(cc1C[NH2+][C@@H]1CCc3c1cccc3[N+](=O)[O-])O[C@@H](C)C2 ZINC000580094006 930239042 /nfs/dbraw/zinc/23/90/42/930239042.db2.gz LAQGNRWXWWECQR-YVEFUNNKSA-N 1 0 354.406 3.704 20 5 FHBDRO CCc1ccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000471539400 930246759 /nfs/dbraw/zinc/24/67/59/930246759.db2.gz KWHGODVGZADNJS-KUHUBIRLSA-N 1 0 355.438 3.578 20 5 FHBDRO CSc1cc(C)ccc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000579463231 930252404 /nfs/dbraw/zinc/25/24/04/930252404.db2.gz JLFPKNDNIYQIGH-UHFFFAOYSA-N 1 0 359.451 3.744 20 5 FHBDRO CC(C)Oc1ccc([C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000583403949 937412099 /nfs/dbraw/zinc/41/20/99/937412099.db2.gz ZCJLMZKJZSOGMH-FQEVSTJZSA-N 1 0 357.454 3.775 20 5 FHBDRO C[C@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000580273547 930428620 /nfs/dbraw/zinc/42/86/20/930428620.db2.gz CSRBORKKQZGQJF-MAUKXSAKSA-N 1 0 371.437 3.635 20 5 FHBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1(C)C ZINC000536363696 930476781 /nfs/dbraw/zinc/47/67/81/930476781.db2.gz QUUZHSTYCIFTSX-DLBZAZTESA-N 1 0 359.426 3.885 20 5 FHBDRO CC(C)c1ccc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000275874422 930595885 /nfs/dbraw/zinc/59/58/85/930595885.db2.gz OXKUAORIRDZWOO-KRWDZBQOSA-N 1 0 359.470 3.522 20 5 FHBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@H]21 ZINC000247271722 930679340 /nfs/dbraw/zinc/67/93/40/930679340.db2.gz YCXAXBGOLZOCBW-CRAIPNDOSA-N 1 0 372.494 3.634 20 5 FHBDRO Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1OCC[NH+]1CCCC1 ZINC000119196117 930865264 /nfs/dbraw/zinc/86/52/64/930865264.db2.gz CPSNKJKAYYXTNB-UHFFFAOYSA-N 1 0 369.421 3.630 20 5 FHBDRO C[NH2+][C@H]1CCCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000261918642 930906598 /nfs/dbraw/zinc/90/65/98/930906598.db2.gz BIWOZTYTRPBPOQ-INIZCTEOSA-N 1 0 359.401 3.710 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000579793282 931047591 /nfs/dbraw/zinc/04/75/91/931047591.db2.gz MFHCUJOHAPPCEW-INIZCTEOSA-N 1 0 361.829 3.589 20 5 FHBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000177837324 931266584 /nfs/dbraw/zinc/26/65/84/931266584.db2.gz JTFKNMDEOHLRBD-DOTOQJQBSA-N 1 0 359.470 3.735 20 5 FHBDRO Cc1ccc([C@@H](C)NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1[N+](=O)[O-] ZINC000177839418 931268223 /nfs/dbraw/zinc/26/82/23/931268223.db2.gz ARNXKXSUTWNGDC-MRXNPFEDSA-N 1 0 367.449 3.990 20 5 FHBDRO COc1ccc(OC)c([C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000581393217 931945246 /nfs/dbraw/zinc/94/52/46/931945246.db2.gz KDOLIXWVWGLXGD-ZDUSSCGKSA-N 1 0 369.421 3.987 20 5 FHBDRO Cc1ccccc1NC(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135236500 932085828 /nfs/dbraw/zinc/08/58/28/932085828.db2.gz JMAWZFHEQBUYJJ-UHFFFAOYSA-N 1 0 353.422 3.896 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)C3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000134494505 932140957 /nfs/dbraw/zinc/14/09/57/932140957.db2.gz JVLAIFREXSVRFR-ZDUSSCGKSA-N 1 0 360.410 3.768 20 5 FHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000076397372 932377276 /nfs/dbraw/zinc/37/72/76/932377276.db2.gz BOQWALBPCAAMPH-HOCLYGCPSA-N 1 0 351.410 3.578 20 5 FHBDRO C[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccsc2)O1 ZINC000610737400 932478848 /nfs/dbraw/zinc/47/88/48/932478848.db2.gz WMZWEJDDNDBNID-RDTXWAMCSA-N 1 0 362.451 3.887 20 5 FHBDRO CC(C)[NH+](CCSCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C(C)C ZINC000160998047 932499233 /nfs/dbraw/zinc/49/92/33/932499233.db2.gz HSZRBQAGFWQCFP-UHFFFAOYSA-N 1 0 357.451 3.524 20 5 FHBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000090910231 932602023 /nfs/dbraw/zinc/60/20/23/932602023.db2.gz DINOMICUAXRFOW-CQSZACIVSA-N 1 0 368.437 3.772 20 5 FHBDRO CC[NH+](CC)[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000127299049 932655934 /nfs/dbraw/zinc/65/59/34/932655934.db2.gz UXFNQMMMVSHMGZ-KRWDZBQOSA-N 1 0 360.483 3.634 20 5 FHBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)Cc1ccccc1 ZINC000023172878 932706225 /nfs/dbraw/zinc/70/62/25/932706225.db2.gz PIVBJPGLDARGSJ-IBGZPJMESA-N 1 0 369.465 3.586 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)n1 ZINC000178225001 932920791 /nfs/dbraw/zinc/92/07/91/932920791.db2.gz SMIZDAGHGGFEAR-MRXNPFEDSA-N 1 0 370.453 3.610 20 5 FHBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000588437283 932965372 /nfs/dbraw/zinc/96/53/72/932965372.db2.gz YLWITONMTOSZPZ-PFONDFGASA-N 1 0 369.421 3.577 20 5 FHBDRO C[C@@H](CO)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000101594468 932982182 /nfs/dbraw/zinc/98/21/82/932982182.db2.gz ZUNHWAILSQOARF-GFCCVEGCSA-N 1 0 350.802 3.759 20 5 FHBDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000471809714 932992519 /nfs/dbraw/zinc/99/25/19/932992519.db2.gz MKRIFOFYFKHGOI-SWLSCSKDSA-N 1 0 362.813 3.996 20 5 FHBDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000471809716 932992806 /nfs/dbraw/zinc/99/28/06/932992806.db2.gz MKRIFOFYFKHGOI-WFASDCNBSA-N 1 0 362.813 3.996 20 5 FHBDRO CCC(O)(CC)CC[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000471827357 933068886 /nfs/dbraw/zinc/06/88/86/933068886.db2.gz QAYQYNWUUGODBM-UHFFFAOYSA-N 1 0 362.426 3.894 20 5 FHBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1)[NH+](C)C ZINC000510527866 933188569 /nfs/dbraw/zinc/18/85/69/933188569.db2.gz VBRWJRXAEYWKLB-DNVCBOLYSA-N 1 0 355.438 3.633 20 5 FHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2c(F)cc(F)c(F)c2F)n1 ZINC000430739286 933192242 /nfs/dbraw/zinc/19/22/42/933192242.db2.gz HLWMKMZCZLIGDJ-CHWSQXEVSA-N 1 0 372.322 3.621 20 5 FHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000610581381 933319951 /nfs/dbraw/zinc/31/99/51/933319951.db2.gz NLFRLRPULJWYBJ-FMKPAKJESA-N 1 0 358.442 3.573 20 5 FHBDRO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582294 933329124 /nfs/dbraw/zinc/32/91/24/933329124.db2.gz BWQLQIPDGYHDLL-QDXKXIGTSA-N 1 0 373.434 3.666 20 5 FHBDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000610620874 933539676 /nfs/dbraw/zinc/53/96/76/933539676.db2.gz OXIARJIZHNPYOV-CQSZACIVSA-N 1 0 359.426 3.829 20 5 FHBDRO CCOc1cc(C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)ccc1[N+](=O)[O-] ZINC000276896003 933893762 /nfs/dbraw/zinc/89/37/62/933893762.db2.gz KZWRDBIFORJBIQ-CYBMUJFWSA-N 1 0 357.410 3.803 20 5 FHBDRO Cc1sc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000065140460 934219428 /nfs/dbraw/zinc/21/94/28/934219428.db2.gz RZIXWSSWHAXWKH-IUODEOHRSA-N 1 0 359.451 3.530 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)COc1c(C)cccc1C ZINC000610804507 934440024 /nfs/dbraw/zinc/44/00/24/934440024.db2.gz TUDIZHXYQNGPPG-SJLPKXTDSA-N 1 0 358.438 3.611 20 5 FHBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)cc1 ZINC000610805368 934448630 /nfs/dbraw/zinc/44/86/30/934448630.db2.gz XUMWYCDEMNZUDB-GOSISDBHSA-N 1 0 357.410 3.673 20 5 FHBDRO CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1ccccc1C ZINC000065208684 934667094 /nfs/dbraw/zinc/66/70/94/934667094.db2.gz HBDXYKFNWOMVCS-UHFFFAOYSA-N 1 0 371.437 3.633 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000538558249 934871973 /nfs/dbraw/zinc/87/19/73/934871973.db2.gz UPXGXSFFULFYRF-YJBOKZPZSA-N 1 0 369.469 3.612 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380702553 934879694 /nfs/dbraw/zinc/87/96/94/934879694.db2.gz HBHLHMRYSQRFSH-FUHWJXTLSA-N 1 0 369.465 3.604 20 5 FHBDRO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2F)[NH+]2CCCC2)cc1 ZINC000071895722 934946375 /nfs/dbraw/zinc/94/63/75/934946375.db2.gz JJNASMQVYUVRLA-LJQANCHMSA-N 1 0 359.401 3.992 20 5 FHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1 ZINC000538957618 934967523 /nfs/dbraw/zinc/96/75/23/934967523.db2.gz BJAQIYTWDVZLPM-HNNXBMFYSA-N 1 0 367.327 3.662 20 5 FHBDRO Cc1nccn1CCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000511035073 935001886 /nfs/dbraw/zinc/00/18/86/935001886.db2.gz SFTIDDBPKIMKCD-FQEVSTJZSA-N 1 0 350.422 3.869 20 5 FHBDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000539234516 935099589 /nfs/dbraw/zinc/09/95/89/935099589.db2.gz SXXMFSWOMNKKSF-NSHDSACASA-N 1 0 363.801 3.546 20 5 FHBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Oc2ccccc2)cc1 ZINC000539261753 935116639 /nfs/dbraw/zinc/11/66/39/935116639.db2.gz VKGIJYSPCHUQTB-OAHLLOKOSA-N 1 0 352.394 3.934 20 5 FHBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000511061066 935178498 /nfs/dbraw/zinc/17/84/98/935178498.db2.gz AGSMKTSPEZMYPI-LJQANCHMSA-N 1 0 355.438 3.716 20 5 FHBDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000157789713 935197763 /nfs/dbraw/zinc/19/77/63/935197763.db2.gz BSOLMTWYBBLMSD-JSGCOSHPSA-N 1 0 373.457 3.533 20 5 FHBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C2)C1 ZINC000582075257 935216158 /nfs/dbraw/zinc/21/61/58/935216158.db2.gz PDXRDTYNGMFPDE-HXUWFJFHSA-N 1 0 370.428 3.718 20 5 FHBDRO CCC1(CC)[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000539524647 935235630 /nfs/dbraw/zinc/23/56/30/935235630.db2.gz RAVFSPGNPKJYRR-MSOLQXFVSA-N 1 0 372.469 3.679 20 5 FHBDRO COc1ccc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000051531710 935434008 /nfs/dbraw/zinc/43/40/08/935434008.db2.gz YKXQCXXYVKKZCL-HXUWFJFHSA-N 1 0 356.422 3.549 20 5 FHBDRO C[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CCN(CC(F)(F)F)C1 ZINC000451876264 935555560 /nfs/dbraw/zinc/55/55/60/935555560.db2.gz AOTLDODSSSCQHW-NSHDSACASA-N 1 0 365.783 3.564 20 5 FHBDRO CC[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000478800118 935724415 /nfs/dbraw/zinc/72/44/15/935724415.db2.gz VJSLUILHUBKUGL-MSOLQXFVSA-N 1 0 371.412 3.970 20 5 FHBDRO C[NH+](C)[C@@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000277618493 935736609 /nfs/dbraw/zinc/73/66/09/935736609.db2.gz WZLCSPLWNLOZEG-MRXNPFEDSA-N 1 0 360.483 3.634 20 5 FHBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000023899149 935841277 /nfs/dbraw/zinc/84/12/77/935841277.db2.gz CYGDEFFQDROPPE-CYBMUJFWSA-N 1 0 359.451 3.776 20 5 FHBDRO COCCOc1cc(C)ccc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563417202 935878236 /nfs/dbraw/zinc/87/82/36/935878236.db2.gz JUOGVDQTMIJFKB-GOSISDBHSA-N 1 0 356.422 3.706 20 5 FHBDRO Cc1noc(C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c2ccccc2)n1 ZINC000563419880 935882669 /nfs/dbraw/zinc/88/26/69/935882669.db2.gz ZVOQMGJWUZTKAS-ZWKOTPCHSA-N 1 0 364.405 3.847 20 5 FHBDRO C[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1cnn(CC2CCC2)c1 ZINC000934560352 935886493 /nfs/dbraw/zinc/88/64/93/935886493.db2.gz WYUXDIWQSGFAJX-LLVKDONJSA-N 1 0 350.369 3.720 20 5 FHBDRO COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)[NH+](C)C ZINC000024058180 935916721 /nfs/dbraw/zinc/91/67/21/935916721.db2.gz XYPABSKIGUYZRI-GOSISDBHSA-N 1 0 366.421 3.866 20 5 FHBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1C[NH+]1CCCCC1 ZINC000479942640 935922763 /nfs/dbraw/zinc/92/27/63/935922763.db2.gz TVLQEBNNBFYHPK-UHFFFAOYSA-N 1 0 357.458 3.718 20 5 FHBDRO O=[N+]([O-])c1ccc2ncnc(N3CCC(C[NH+]4CCCCCC4)CC3)c2c1 ZINC000611701053 935940859 /nfs/dbraw/zinc/94/08/59/935940859.db2.gz NRSNPEPOPNXKMW-UHFFFAOYSA-N 1 0 369.469 3.630 20 5 FHBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC001167599143 935943067 /nfs/dbraw/zinc/94/30/67/935943067.db2.gz PMGROUILCMNQGY-MAUKXSAKSA-N 1 0 356.422 3.860 20 5 FHBDRO CCC(=O)c1ccc(NCC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000480110763 935963922 /nfs/dbraw/zinc/96/39/22/935963922.db2.gz BHLXBCFQMKGNRQ-UHFFFAOYSA-N 1 0 368.437 3.911 20 5 FHBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC000582724392 935990062 /nfs/dbraw/zinc/99/00/62/935990062.db2.gz RFIVUJILOIWPSS-CYBMUJFWSA-N 1 0 351.328 3.998 20 5 FHBDRO CC[NH+](CC)CCOC1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000075063785 935999440 /nfs/dbraw/zinc/99/94/40/935999440.db2.gz NCOBUSIEYCIBMO-UHFFFAOYSA-N 1 0 355.866 3.575 20 5 FHBDRO CCCCNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178644924 936022298 /nfs/dbraw/zinc/02/22/98/936022298.db2.gz AQTGWRCLQZBBFQ-HNNXBMFYSA-N 1 0 355.438 3.976 20 5 FHBDRO C[C@@H]1C[C@H](N(C)C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC[N@@H+]1C ZINC000277876551 936076235 /nfs/dbraw/zinc/07/62/35/936076235.db2.gz CEMMSPXKJWZFNY-HUUCEWRRSA-N 1 0 363.461 3.648 20 5 FHBDRO C[NH+](C)C1(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCCC1 ZINC000277911058 936155312 /nfs/dbraw/zinc/15/53/12/936155312.db2.gz OWJYBJSNYQLUQG-UHFFFAOYSA-N 1 0 363.461 3.698 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000178684747 936206668 /nfs/dbraw/zinc/20/66/68/936206668.db2.gz FQJNGAPCJLTFNJ-RYUDHWBXSA-N 1 0 362.817 3.629 20 5 FHBDRO Cc1nc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)sc1C ZINC000178690420 936207101 /nfs/dbraw/zinc/20/71/01/936207101.db2.gz DOVKXRMZSQLCJL-NWDGAFQWSA-N 1 0 362.455 3.654 20 5 FHBDRO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178691284 936207871 /nfs/dbraw/zinc/20/78/71/936207871.db2.gz BUMDSDUEROOMEX-ZIAGYGMSSA-N 1 0 369.421 3.784 20 5 FHBDRO COc1ccc2c(C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc(=O)oc2c1 ZINC000178691328 936232679 /nfs/dbraw/zinc/23/26/79/936232679.db2.gz SULBQYMLDSZJEP-CYBMUJFWSA-N 1 0 368.389 3.869 20 5 FHBDRO CCc1ccc([C@H]([NH2+]CC2(OC)CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612414680 936237303 /nfs/dbraw/zinc/23/73/03/936237303.db2.gz YDYZMGZRQVQIMK-LJQANCHMSA-N 1 0 374.437 3.625 20 5 FHBDRO Cc1cc(F)cc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000176785086 938302859 /nfs/dbraw/zinc/30/28/59/938302859.db2.gz DKSGUFZGCJVXMV-STQMWFEESA-N 1 0 365.449 3.529 20 5 FHBDRO COc1ccccc1[C@H](CNc1ncccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000052474151 938322903 /nfs/dbraw/zinc/32/29/03/938322903.db2.gz NKPJUYNOQKZWPZ-KRWDZBQOSA-N 1 0 356.426 3.638 20 5 FHBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H]1C ZINC000437260264 945174463 /nfs/dbraw/zinc/17/44/63/945174463.db2.gz SXLIOFPPOQULSH-BXUZGUMPSA-N 1 0 373.375 3.558 20 5 FHBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437261117 945176246 /nfs/dbraw/zinc/17/62/46/945176246.db2.gz GALZNQZLOXGBMN-AWEZNQCLSA-N 1 0 373.375 3.560 20 5 FHBDRO C[C@@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000458771449 938553034 /nfs/dbraw/zinc/55/30/34/938553034.db2.gz MPSXXVAPPOSMPO-QMTMVMCOSA-N 1 0 370.453 3.646 20 5 FHBDRO Cn1nccc1C1=CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000584259320 938659508 /nfs/dbraw/zinc/65/95/08/938659508.db2.gz IGMSOSUJEJWVGW-UHFFFAOYSA-N 1 0 364.405 3.878 20 5 FHBDRO Cc1cc(-c2nc(-c3ccc(OCC[NH+](C)C)cc3)no2)ccc1[N+](=O)[O-] ZINC000545589053 945199016 /nfs/dbraw/zinc/19/90/16/945199016.db2.gz WBYOAQCYMXTSQA-UHFFFAOYSA-N 1 0 368.393 3.561 20 5 FHBDRO C[N@@H+]1CCC[C@H](CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000108428707 945207487 /nfs/dbraw/zinc/20/74/87/945207487.db2.gz IBDCOFDZXWUZGN-MRXNPFEDSA-N 1 0 373.428 3.958 20 5 FHBDRO CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000584420723 938847000 /nfs/dbraw/zinc/84/70/00/938847000.db2.gz RTZJTGCFEHQPAK-IBGZPJMESA-N 1 0 367.449 3.854 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000467232443 945209255 /nfs/dbraw/zinc/20/92/55/945209255.db2.gz XAKGMSQTBULKRT-OAQYLSRUSA-N 1 0 367.449 3.939 20 5 FHBDRO CSc1ccc([C@@H](CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000584432849 938871598 /nfs/dbraw/zinc/87/15/98/938871598.db2.gz YWCOZWWPAWXDRS-GOSISDBHSA-N 1 0 373.478 3.658 20 5 FHBDRO CN(Cc1ccc([N+](=O)[O-])cc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375749980 938871934 /nfs/dbraw/zinc/87/19/34/938871934.db2.gz IZOAVZUUCKSXFW-NNQSOWQGSA-N 1 0 357.376 3.671 20 5 FHBDRO C[C@H]1c2c(F)cccc2CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548844612 938998347 /nfs/dbraw/zinc/99/83/47/938998347.db2.gz PHGPKSGAVSGSCN-ZDUSSCGKSA-N 1 0 357.385 3.682 20 5 FHBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000136205277 939014671 /nfs/dbraw/zinc/01/46/71/939014671.db2.gz LJSLZFOOMKZSIR-UHFFFAOYSA-N 1 0 373.840 3.596 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2)o1 ZINC000102420765 939018592 /nfs/dbraw/zinc/01/85/92/939018592.db2.gz TVYQBFLCXHPMKF-SFHVURJKSA-N 1 0 356.353 3.817 20 5 FHBDRO CC(C)(C)[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612092586 939044354 /nfs/dbraw/zinc/04/43/54/939044354.db2.gz ALPUREZYWUFDHP-KRWDZBQOSA-N 1 0 358.438 3.635 20 5 FHBDRO Cc1c([C@H](C)[NH2+]Cc2cccc(Cn3ccnc3)c2)cccc1[N+](=O)[O-] ZINC000151333434 945231562 /nfs/dbraw/zinc/23/15/62/945231562.db2.gz ARBWBDZQSFYAGY-INIZCTEOSA-N 1 0 350.422 3.999 20 5 FHBDRO COc1ccc(OCC[NH2+][C@@H](CC(F)(F)F)C(C)C)c([N+](=O)[O-])c1 ZINC000445891745 945237515 /nfs/dbraw/zinc/23/75/15/945237515.db2.gz WRWUDWVHEYKSNL-LBPRGKRZSA-N 1 0 350.337 3.549 20 5 FHBDRO CC[N@H+](CCNc1ccnc2c1cccc2[N+](=O)[O-])CCC(F)(F)F ZINC000432167474 945251108 /nfs/dbraw/zinc/25/11/08/945251108.db2.gz WJDFRSIJADKFNE-UHFFFAOYSA-N 1 0 356.348 3.829 20 5 FHBDRO CSc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000507475194 945259165 /nfs/dbraw/zinc/25/91/65/945259165.db2.gz ZPEOBTOZUYDKOP-OLZOCXBDSA-N 1 0 359.451 3.995 20 5 FHBDRO O=[N+]([O-])c1cc(CN2CCC[N@H+](CCCc3ccccc3)CC2)cs1 ZINC000507474948 945259472 /nfs/dbraw/zinc/25/94/72/945259472.db2.gz ZPMRHSKVAUCQHD-UHFFFAOYSA-N 1 0 359.495 3.797 20 5 FHBDRO CCOc1ccccc1[C@H](CC)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179736321 939927888 /nfs/dbraw/zinc/92/78/88/939927888.db2.gz VWQFDDDUHVUOTA-HNNXBMFYSA-N 1 0 357.410 3.673 20 5 FHBDRO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c1 ZINC000177150619 939964567 /nfs/dbraw/zinc/96/45/67/939964567.db2.gz URPXJMKTIVGEAF-IBGZPJMESA-N 1 0 352.390 3.924 20 5 FHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000364816523 940004327 /nfs/dbraw/zinc/00/43/27/940004327.db2.gz WHNYDIMSWDKKCL-GOEBONIOSA-N 1 0 373.478 3.639 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000411178053 940007162 /nfs/dbraw/zinc/00/71/62/940007162.db2.gz XCVAIHPCCPBWPF-HNNXBMFYSA-N 1 0 371.437 3.933 20 5 FHBDRO CCS[C@H]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411298413 940024576 /nfs/dbraw/zinc/02/45/76/940024576.db2.gz NSHOFJIPVBXRGS-CVEARBPZSA-N 1 0 351.472 3.529 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000411472757 940047084 /nfs/dbraw/zinc/04/70/84/940047084.db2.gz IDJAPIFERSUFKC-OAHLLOKOSA-N 1 0 353.422 3.533 20 5 FHBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411578519 940064984 /nfs/dbraw/zinc/06/49/84/940064984.db2.gz CCEGSCGXDQUIHH-UHFFFAOYSA-N 1 0 367.449 3.553 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000612444842 940072873 /nfs/dbraw/zinc/07/28/73/940072873.db2.gz WSXNTSGQJGPOAB-HZPDHXFCSA-N 1 0 369.469 3.629 20 5 FHBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(C)cc1 ZINC000181677595 945295925 /nfs/dbraw/zinc/29/59/25/945295925.db2.gz GCLRBDGXLQNOBH-KRWDZBQOSA-N 1 0 371.437 3.981 20 5 FHBDRO CCCN(CC[NH+]1CCCC1)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000411724618 940099964 /nfs/dbraw/zinc/09/99/64/940099964.db2.gz YTZDSXFBCAYJTG-HNNXBMFYSA-N 1 0 373.457 3.514 20 5 FHBDRO CC(=O)NCCC[NH2+]Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000236648735 940114766 /nfs/dbraw/zinc/11/47/66/940114766.db2.gz AODGPXIMHQIRKL-UHFFFAOYSA-N 1 0 373.478 3.670 20 5 FHBDRO CSc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000507520298 945298727 /nfs/dbraw/zinc/29/87/27/945298727.db2.gz OXQWRXOYEJSNHP-OLZOCXBDSA-N 1 0 359.451 3.995 20 5 FHBDRO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000612577372 940158651 /nfs/dbraw/zinc/15/86/51/940158651.db2.gz AWWARUUZMKMJBA-OAQYLSRUSA-N 1 0 373.497 3.906 20 5 FHBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000411998699 940180177 /nfs/dbraw/zinc/18/01/77/940180177.db2.gz LNHMUUKNOXNRHB-HXUWFJFHSA-N 1 0 368.433 3.827 20 5 FHBDRO Cc1cccn2cc(CCNc3ccc([N+](=O)[O-])cc3OC(F)F)nc12 ZINC000612785706 940271240 /nfs/dbraw/zinc/27/12/40/940271240.db2.gz FKKNVXHBTMNYEX-UHFFFAOYSA-N 1 0 362.336 3.807 20 5 FHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000188609181 940393297 /nfs/dbraw/zinc/39/32/97/940393297.db2.gz GDIPVEVVMWIJMG-UKPHBRMFSA-N 1 0 374.403 3.989 20 5 FHBDRO Cn1cc(C[NH2+]CC(C)(C)C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000548975873 940397831 /nfs/dbraw/zinc/39/78/31/940397831.db2.gz HPIDJWZGOALOSM-UHFFFAOYSA-N 1 0 356.348 3.673 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(c3ncccc3F)C1)CCCC2 ZINC000580412210 940474393 /nfs/dbraw/zinc/47/43/93/940474393.db2.gz HLMRMOAWBPUXKT-BEFAXECRSA-N 1 0 370.428 3.765 20 5 FHBDRO COc1ccc(OCC[NH2+]C(C)(C)c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000173323321 940609214 /nfs/dbraw/zinc/60/92/14/940609214.db2.gz KCCIYRVVOACIMY-UHFFFAOYSA-N 1 0 360.410 3.516 20 5 FHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000507599570 945360441 /nfs/dbraw/zinc/36/04/41/945360441.db2.gz KEQHJNHRKBQJSG-CZUORRHYSA-N 1 0 373.840 3.814 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000414304862 940931768 /nfs/dbraw/zinc/93/17/68/940931768.db2.gz RIHWFAWFEZLHFQ-ZOWXZIJZSA-N 1 0 360.426 3.604 20 5 FHBDRO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000414338955 941000330 /nfs/dbraw/zinc/00/03/30/941000330.db2.gz LECBEWFWBFHWTP-WNHJNPCNSA-N 1 0 370.453 3.677 20 5 FHBDRO C[C@@H](NCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000180459798 941023281 /nfs/dbraw/zinc/02/32/81/941023281.db2.gz NRAFIZHQYHPBDE-HUUCEWRRSA-N 1 0 372.425 3.895 20 5 FHBDRO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414353674 941029670 /nfs/dbraw/zinc/02/96/70/941029670.db2.gz ZAFYPDKNCRGUGD-STQMWFEESA-N 1 0 361.467 3.887 20 5 FHBDRO Cc1c([C@H](C)[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000180515823 941036127 /nfs/dbraw/zinc/03/61/27/941036127.db2.gz BGIKAOBFQOEYHA-JSGCOSHPSA-N 1 0 351.447 3.857 20 5 FHBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCCOC[C@H]2CCOC2)c2ccccc2)c1 ZINC000180604916 941052548 /nfs/dbraw/zinc/05/25/48/941052548.db2.gz ZNMZEBKAWYRDDV-DYESRHJHSA-N 1 0 370.449 3.717 20 5 FHBDRO CC(C)n1cnnc1[C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000180628613 941057004 /nfs/dbraw/zinc/05/70/04/941057004.db2.gz KMUAEPFKBIBOLH-AWEZNQCLSA-N 1 0 363.849 3.800 20 5 FHBDRO CC[C@@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000180729390 941069831 /nfs/dbraw/zinc/06/98/31/941069831.db2.gz QIXUGDNDCDFCFX-GOSISDBHSA-N 1 0 359.401 3.595 20 5 FHBDRO CC[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000180741441 941070794 /nfs/dbraw/zinc/07/07/94/941070794.db2.gz QLTUIDADNNMCDA-LJQANCHMSA-N 1 0 361.486 3.671 20 5 FHBDRO CC(C)N1CC[C@H]([NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)C1=O ZINC000180907589 941089995 /nfs/dbraw/zinc/08/99/95/941089995.db2.gz NMOAIRUXHABKGD-HIFRSBDPSA-N 1 0 373.478 3.983 20 5 FHBDRO CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000189077502 941146575 /nfs/dbraw/zinc/14/65/75/941146575.db2.gz YQQUMCPWIPYJFT-WOJBJXKFSA-N 1 0 367.449 3.745 20 5 FHBDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000189395685 941157166 /nfs/dbraw/zinc/15/71/66/941157166.db2.gz OQOIQSLBDLROAK-CHWSQXEVSA-N 1 0 361.467 3.841 20 5 FHBDRO CC(C)c1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000189692587 941260061 /nfs/dbraw/zinc/26/00/61/941260061.db2.gz GQBIMBMBWPOGCJ-QGZVFWFLSA-N 1 0 359.470 3.809 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000189783065 941276750 /nfs/dbraw/zinc/27/67/50/941276750.db2.gz UIHFGICMQLFUNF-QFBILLFUSA-N 1 0 368.437 3.779 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000189912494 941299295 /nfs/dbraw/zinc/29/92/95/941299295.db2.gz SUIWSZQKICJBRF-CQSZACIVSA-N 1 0 352.394 3.640 20 5 FHBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000066726501 941306393 /nfs/dbraw/zinc/30/63/93/941306393.db2.gz SXJBCDKWQCBUSY-UHFFFAOYSA-N 1 0 355.438 3.627 20 5 FHBDRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)cc1 ZINC000782954249 941331685 /nfs/dbraw/zinc/33/16/85/941331685.db2.gz LVJWEARFQWBSSY-GOEBONIOSA-N 1 0 367.405 3.647 20 5 FHBDRO Cc1nn(C)c(Cl)c1CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278809245 941371934 /nfs/dbraw/zinc/37/19/34/941371934.db2.gz SCWADGFYSVCNRW-UHFFFAOYSA-N 1 0 362.739 3.599 20 5 FHBDRO CC[NH2+]Cc1cccc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000414859000 941488212 /nfs/dbraw/zinc/48/82/12/941488212.db2.gz AFDXIPIFZKRXHR-UHFFFAOYSA-N 1 0 351.353 3.918 20 5 FHBDRO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)c1ccccc1 ZINC000181537900 941538288 /nfs/dbraw/zinc/53/82/88/941538288.db2.gz SMEDBFLIQFHWHV-ZIAGYGMSSA-N 1 0 352.394 3.927 20 5 FHBDRO CSc1cccc(NC(=O)[C@H](C)N(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000549170052 941571766 /nfs/dbraw/zinc/57/17/66/941571766.db2.gz GDCQDTVHUPREAM-AWEZNQCLSA-N 1 0 373.478 3.818 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)cs2)c1 ZINC000415055782 941575695 /nfs/dbraw/zinc/57/56/95/941575695.db2.gz RJZSCDLREDRFHX-YJBOKZPZSA-N 1 0 372.494 3.682 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@H](C4CCOCC4)C3)cs2)c1 ZINC000377247821 941592980 /nfs/dbraw/zinc/59/29/80/941592980.db2.gz CLKCZOMFXKIARZ-MRXNPFEDSA-N 1 0 373.478 3.967 20 5 FHBDRO C[NH+]1CCC2(CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000377393702 941686059 /nfs/dbraw/zinc/68/60/59/941686059.db2.gz TYEMBGFUHHMENW-UHFFFAOYSA-N 1 0 366.849 3.588 20 5 FHBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2ccccc2c1I ZINC001225385495 941696526 /nfs/dbraw/zinc/69/65/26/941696526.db2.gz VSTLZFBKRDFTGU-GFCCVEGCSA-N 1 0 370.254 3.918 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000122410622 941721526 /nfs/dbraw/zinc/72/15/26/941721526.db2.gz SOGVJNKFCBULEQ-LBPRGKRZSA-N 1 0 369.421 3.684 20 5 FHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473521426 941743901 /nfs/dbraw/zinc/74/39/01/941743901.db2.gz OVGAQXSBOOAPIU-HLLBOEOZSA-N 1 0 354.454 3.985 20 5 FHBDRO Cc1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)c(Br)cc1[N+](=O)[O-] ZINC000473525794 941765274 /nfs/dbraw/zinc/76/52/74/941765274.db2.gz ZYAXCYHZGUPWAL-CYBMUJFWSA-N 1 0 368.275 3.730 20 5 FHBDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000513231913 941788952 /nfs/dbraw/zinc/78/89/52/941788952.db2.gz LEJVTAGUQJKCKM-MDASCCDHSA-N 1 0 353.422 3.848 20 5 FHBDRO COc1cccc(C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C2CC2)c1 ZINC000513367612 941872893 /nfs/dbraw/zinc/87/28/93/941872893.db2.gz VKBPOMJKQMJIRX-IBGZPJMESA-N 1 0 356.422 3.723 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](Oc2ccccc2OC)C1 ZINC000513378226 941875175 /nfs/dbraw/zinc/87/51/75/941875175.db2.gz ZYMZIBPTWBMSTC-KRWDZBQOSA-N 1 0 372.421 3.655 20 5 FHBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000136812322 941875361 /nfs/dbraw/zinc/87/53/61/941875361.db2.gz SQIWBSINYUBDFB-GOSISDBHSA-N 1 0 367.405 3.649 20 5 FHBDRO C[C@@H](c1ccco1)[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000119269573 941875513 /nfs/dbraw/zinc/87/55/13/941875513.db2.gz WGIKVJXXPLKBLH-ZDUSSCGKSA-N 1 0 371.393 3.711 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000182620296 941947804 /nfs/dbraw/zinc/94/78/04/941947804.db2.gz PPZAUXGEEPQXGL-MRXNPFEDSA-N 1 0 367.449 3.859 20 5 FHBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000236797516 941961416 /nfs/dbraw/zinc/96/14/16/941961416.db2.gz DEZBQXULIBNKHG-BEFAXECRSA-N 1 0 355.438 3.668 20 5 FHBDRO Cc1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000182929695 942008817 /nfs/dbraw/zinc/00/88/17/942008817.db2.gz XAJJOZPHXUGESF-HUUCEWRRSA-N 1 0 360.458 3.678 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182931325 942009871 /nfs/dbraw/zinc/00/98/71/942009871.db2.gz WDROLWPSPLLOIP-CABCVRRESA-N 1 0 360.458 3.678 20 5 FHBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000513670901 942066899 /nfs/dbraw/zinc/06/68/99/942066899.db2.gz CZKAYXNZGYUOLW-UHFFFAOYSA-N 1 0 356.426 3.627 20 5 FHBDRO Cc1ccc(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000501836964 942085322 /nfs/dbraw/zinc/08/53/22/942085322.db2.gz NOJQITXEEYTRMA-SFHVURJKSA-N 1 0 368.437 3.862 20 5 FHBDRO CC[NH2+]Cc1cccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000415903482 942131680 /nfs/dbraw/zinc/13/16/80/942131680.db2.gz AADGSZRELJJUJY-UHFFFAOYSA-N 1 0 368.437 3.901 20 5 FHBDRO Cc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1[N+](=O)[O-] ZINC000103097153 942201603 /nfs/dbraw/zinc/20/16/03/942201603.db2.gz CZFKXPKXSVPKSU-QGZVFWFLSA-N 1 0 359.470 3.631 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103092957 942206631 /nfs/dbraw/zinc/20/66/31/942206631.db2.gz SKSWEGIJBAAJFL-KRWDZBQOSA-N 1 0 359.470 3.631 20 5 FHBDRO CC[N@@H+]1CCc2c(cccc2NC(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000366388412 942266323 /nfs/dbraw/zinc/26/63/23/942266323.db2.gz JYJNMLXUDXIYSX-UHFFFAOYSA-N 1 0 371.462 3.947 20 5 FHBDRO CC[C@@H]1C[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](CC)O1 ZINC000420950077 942271525 /nfs/dbraw/zinc/27/15/25/942271525.db2.gz FZYPQPPBGZONMT-IAGOWNOFSA-N 1 0 359.426 3.682 20 5 FHBDRO C[NH+](C)CCOc1ccccc1CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413095809 942285183 /nfs/dbraw/zinc/28/51/83/942285183.db2.gz SWZMQRLCPGRAKG-UHFFFAOYSA-N 1 0 366.421 3.696 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000481090282 942327107 /nfs/dbraw/zinc/32/71/07/942327107.db2.gz JVORJTHQALSUBE-UKRRQHHQSA-N 1 0 363.458 3.736 20 5 FHBDRO Cc1ccc([C@H](C)NC(=O)N2CCC([N@@H+]3CCC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000366433647 942335457 /nfs/dbraw/zinc/33/54/57/942335457.db2.gz DDPGGPHHNYSJNM-CVEARBPZSA-N 1 0 374.485 3.623 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000085634115 942339267 /nfs/dbraw/zinc/33/92/67/942339267.db2.gz KQXAMBLHPSWNCP-UHFFFAOYSA-N 1 0 362.474 3.845 20 5 FHBDRO COc1ccc(OCC[NH2+][C@@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000181580115 942341093 /nfs/dbraw/zinc/34/10/93/942341093.db2.gz GNUZCMJAHJEYGI-NSHDSACASA-N 1 0 352.337 3.611 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416105556 942351278 /nfs/dbraw/zinc/35/12/78/942351278.db2.gz LNVNYPCUUNQVMJ-UHFFFAOYSA-N 1 0 353.850 3.503 20 5 FHBDRO Cc1[nH+]c2cc(NCc3ccc([N+](=O)[O-])cc3C)ccc2n1[C@@H](C)CO ZINC000419756049 942368960 /nfs/dbraw/zinc/36/89/60/942368960.db2.gz AGWNYGJXLGZYAY-ZDUSSCGKSA-N 1 0 354.410 3.727 20 5 FHBDRO Cc1[nH+]c2cc(NCc3ccc([N+](=O)[O-])cc3C)ccc2n1[C@H](C)CO ZINC000419756047 942369078 /nfs/dbraw/zinc/36/90/78/942369078.db2.gz AGWNYGJXLGZYAY-CYBMUJFWSA-N 1 0 354.410 3.727 20 5 FHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000502339465 942369659 /nfs/dbraw/zinc/36/96/59/942369659.db2.gz JFYQKMUXCIYKEF-QWHCGFSZSA-N 1 0 355.385 3.727 20 5 FHBDRO C[NH+](C)[C@@H](CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000416169332 942428016 /nfs/dbraw/zinc/42/80/16/942428016.db2.gz DJWFSOHTEXXXQF-SFHVURJKSA-N 1 0 355.438 3.639 20 5 FHBDRO Cc1ccc([C@H](C)NC(=O)CC[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000416169252 942428609 /nfs/dbraw/zinc/42/86/09/942428609.db2.gz CYBLELSAKIAONP-INIZCTEOSA-N 1 0 367.449 3.529 20 5 FHBDRO CC[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000501385419 942454293 /nfs/dbraw/zinc/45/42/93/942454293.db2.gz DHSZODAGZLVTJI-SFHVURJKSA-N 1 0 368.437 3.553 20 5 FHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnc(-c2ccccn2)s1 ZINC000549408073 942475283 /nfs/dbraw/zinc/47/52/83/942475283.db2.gz KHKZANKNMZWRBQ-UHFFFAOYSA-N 1 0 354.435 3.788 20 5 FHBDRO CCCN1C[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1=O ZINC000421352866 942504750 /nfs/dbraw/zinc/50/47/50/942504750.db2.gz ONOAWWNFENOLAS-CQSZACIVSA-N 1 0 373.478 3.671 20 5 FHBDRO CCCN1C[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1=O ZINC000421355064 942505750 /nfs/dbraw/zinc/50/57/50/942505750.db2.gz TXPQTGIAELDTLC-CQSZACIVSA-N 1 0 373.478 3.671 20 5 FHBDRO CSc1ccccc1[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501494249 942508197 /nfs/dbraw/zinc/50/81/97/942508197.db2.gz GZIMUXWJEWAROS-CYBMUJFWSA-N 1 0 359.451 3.996 20 5 FHBDRO CN(c1ccccc1)c1ccc(CN2CC[C@@]23CCOC3)cc1[N+](=O)[O-] ZINC000421404271 942555295 /nfs/dbraw/zinc/55/52/95/942555295.db2.gz YQXABOHMVAARCJ-FQEVSTJZSA-N 1 0 353.422 3.728 20 5 FHBDRO COC1([C@H](C)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOCC1 ZINC000421407724 942557319 /nfs/dbraw/zinc/55/73/19/942557319.db2.gz WGRCQERZDMNPQI-AWEZNQCLSA-N 1 0 360.410 3.529 20 5 FHBDRO COC1([C@H](C)[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOCC1 ZINC000421408176 942558380 /nfs/dbraw/zinc/55/83/80/942558380.db2.gz XJWWLUADVAWWKQ-AWEZNQCLSA-N 1 0 360.410 3.529 20 5 FHBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000513871187 942568378 /nfs/dbraw/zinc/56/83/78/942568378.db2.gz MMILWRCPYKJRRY-UHFFFAOYSA-N 1 0 356.426 3.627 20 5 FHBDRO O=C(C[NH2+][C@H](c1ccccc1)C1CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000104698740 942597330 /nfs/dbraw/zinc/59/73/30/942597330.db2.gz KCFCHGQTUNUJPO-OAQYLSRUSA-N 1 0 365.433 3.615 20 5 FHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000541347799 942625516 /nfs/dbraw/zinc/62/55/16/942625516.db2.gz PSDNCCDOTXEKBO-OALUTQOASA-N 1 0 370.449 3.604 20 5 FHBDRO C[NH+](C)CCOc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000502733855 942703596 /nfs/dbraw/zinc/70/35/96/942703596.db2.gz DZYVPQTWHYHRNL-UHFFFAOYSA-N 1 0 369.377 3.534 20 5 FHBDRO COc1c(O)ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c1[N+](=O)[O-] ZINC000893223171 942708133 /nfs/dbraw/zinc/70/81/33/942708133.db2.gz XRWIVPQEMKLYBK-WMLDXEAASA-N 1 0 372.421 3.567 20 5 FHBDRO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000434495428 942712391 /nfs/dbraw/zinc/71/23/91/942712391.db2.gz VRLSBJIKRBJGPO-INIZCTEOSA-N 1 0 374.872 3.597 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000421742274 942792036 /nfs/dbraw/zinc/79/20/36/942792036.db2.gz RLHIITPRBDZFPS-QGZVFWFLSA-N 1 0 373.478 3.840 20 5 FHBDRO C[C@@H]([NH2+][C@@H](c1ccccn1)C1CCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000378466755 942796567 /nfs/dbraw/zinc/79/65/67/942796567.db2.gz MMILVWBCOUHMFW-AUUYWEPGSA-N 1 0 368.437 3.838 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000421756507 942800116 /nfs/dbraw/zinc/80/01/16/942800116.db2.gz KAXNUQGEHCDQQQ-ZACQAIPSSA-N 1 0 359.470 3.689 20 5 FHBDRO COc1cc(Br)ccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000514233525 942844798 /nfs/dbraw/zinc/84/47/98/942844798.db2.gz BIDRNYRYKJVISP-UHFFFAOYSA-N 1 0 365.227 3.698 20 5 FHBDRO NC(=O)[C@H]1CC[C@H](C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000421855514 942849151 /nfs/dbraw/zinc/84/91/51/942849151.db2.gz MFCDISFNODMUSB-WRWLIDTKSA-N 1 0 367.449 3.566 20 5 FHBDRO CON1CCC([NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000421875784 942860737 /nfs/dbraw/zinc/86/07/37/942860737.db2.gz KCTLXEHGOHKHRI-CYBMUJFWSA-N 1 0 361.467 4.000 20 5 FHBDRO CCn1nccc1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000434786928 942965785 /nfs/dbraw/zinc/96/57/85/942965785.db2.gz SLHYUKPBLDJTQA-UHFFFAOYSA-N 1 0 372.469 3.978 20 5 FHBDRO Cn1ccnc1[C@@H]([NH2+]CC1CCC(F)(F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000503086567 942969798 /nfs/dbraw/zinc/96/97/98/942969798.db2.gz IVNJNTJALYPYIW-INIZCTEOSA-N 1 0 364.396 3.833 20 5 FHBDRO COc1cccc(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000425245263 943049173 /nfs/dbraw/zinc/04/91/73/943049173.db2.gz WJBWBTPYGFRHKF-CQSZACIVSA-N 1 0 356.426 3.636 20 5 FHBDRO [NH3+]C1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCCCC1 ZINC000414858793 943054183 /nfs/dbraw/zinc/05/41/83/943054183.db2.gz LLPMGPJRQYIOGO-UHFFFAOYSA-N 1 0 360.483 3.860 20 5 FHBDRO Cc1ccc(Sc2ccc(CN3CC[C@H](C[NH3+])C3)cc2[N+](=O)[O-])cc1 ZINC000414650597 943095512 /nfs/dbraw/zinc/09/55/12/943095512.db2.gz DKDRKSCEXOUANZ-MRXNPFEDSA-N 1 0 357.479 3.835 20 5 FHBDRO COc1cc(C[N@H+](C)[C@@H](C)C2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505589324 943112001 /nfs/dbraw/zinc/11/20/01/943112001.db2.gz ZZZJQXASTNLABR-NSHDSACASA-N 1 0 358.385 3.868 20 5 FHBDRO COc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000312298641 943121142 /nfs/dbraw/zinc/12/11/42/943121142.db2.gz NGPRZZAERKTZGE-GDBMZVCRSA-N 1 0 371.437 3.687 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414661460 943140126 /nfs/dbraw/zinc/14/01/26/943140126.db2.gz XISJJOMNNOGUTA-INIZCTEOSA-N 1 0 372.425 3.548 20 5 FHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c2c(c1)COCO2 ZINC000503656153 943313486 /nfs/dbraw/zinc/31/34/86/943313486.db2.gz ZALBTOPFYPIEQP-CYBMUJFWSA-N 1 0 358.369 3.590 20 5 FHBDRO Cc1c(CC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cccc1[N+](=O)[O-] ZINC000120266174 943337538 /nfs/dbraw/zinc/33/75/38/943337538.db2.gz DQXKUYHDTDCRQT-SFHVURJKSA-N 1 0 373.497 3.560 20 5 FHBDRO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000435373478 943355319 /nfs/dbraw/zinc/35/53/19/943355319.db2.gz DRZGMXWPKYFLDA-HIFRSBDPSA-N 1 0 359.401 3.695 20 5 FHBDRO C[NH2+]C[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000435389971 943377376 /nfs/dbraw/zinc/37/73/76/943377376.db2.gz NQSFRDLLAGWZAQ-ZDUSSCGKSA-N 1 0 363.845 3.940 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425368362 943381751 /nfs/dbraw/zinc/38/17/51/943381751.db2.gz FBFYKSIWRQTHME-IBGZPJMESA-N 1 0 360.454 3.775 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1CN(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435439537 943417392 /nfs/dbraw/zinc/41/73/92/943417392.db2.gz SYGWFWNMTHLFGE-QGZVFWFLSA-N 1 0 372.494 3.504 20 5 FHBDRO C[C@H]([NH2+][C@H](Cn1ccccc1=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000503947463 943430973 /nfs/dbraw/zinc/43/09/73/943430973.db2.gz LUIDOJWFUXOCFM-OXJNMPFZSA-N 1 0 363.417 3.849 20 5 FHBDRO C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000504030849 943475147 /nfs/dbraw/zinc/47/51/47/943475147.db2.gz DWYDPQSNMVCOMC-YVARQFDVSA-N 1 0 351.406 3.844 20 5 FHBDRO CC(=O)Nc1ccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000417331042 943520730 /nfs/dbraw/zinc/52/07/30/943520730.db2.gz LMWYOALIIHILFG-SFHVURJKSA-N 1 0 354.410 3.506 20 5 FHBDRO COc1ccc([C@@H](CO)C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417361932 943541935 /nfs/dbraw/zinc/54/19/35/943541935.db2.gz KUOAAWNTNWSVKM-DYESRHJHSA-N 1 0 370.449 3.737 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000303040730 943640759 /nfs/dbraw/zinc/64/07/59/943640759.db2.gz STSBXEWSXRUTFX-GOSISDBHSA-N 1 0 367.449 3.939 20 5 FHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]([NH3+])c1ccccc1CC ZINC000423941365 943645459 /nfs/dbraw/zinc/64/54/59/943645459.db2.gz ORVXLISECDPVOI-KRWDZBQOSA-N 1 0 373.478 3.699 20 5 FHBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000423970416 943661117 /nfs/dbraw/zinc/66/11/17/943661117.db2.gz MVJGODBZYVTBRT-RDTXWAMCSA-N 1 0 373.478 3.672 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCc4cccnc4CC3)c2c1 ZINC000515298192 943781090 /nfs/dbraw/zinc/78/10/90/943781090.db2.gz ONWWABKZNCGZKQ-MRXNPFEDSA-N 1 0 350.422 3.551 20 5 FHBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C1(CCO)CCCCC1 ZINC000425422438 943880102 /nfs/dbraw/zinc/88/01/02/943880102.db2.gz XDZVTUGIRRLFSY-UHFFFAOYSA-N 1 0 357.248 3.532 20 5 FHBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000417821764 943896213 /nfs/dbraw/zinc/89/62/13/943896213.db2.gz DZMGQTDSYLALBZ-OALUTQOASA-N 1 0 370.453 3.608 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)COCC(F)(F)F)cc1[N+](=O)[O-] ZINC000504922060 943900881 /nfs/dbraw/zinc/90/08/81/943900881.db2.gz XDPJDMLXGSJJAB-MNOVXSKESA-N 1 0 350.337 3.612 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000504905243 943903277 /nfs/dbraw/zinc/90/32/77/943903277.db2.gz FTVZSUAEXPJTGY-OAGGEKHMSA-N 1 0 351.516 3.928 20 5 FHBDRO Cc1ccc([C@@H](C)NC(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000417847002 943908312 /nfs/dbraw/zinc/90/83/12/943908312.db2.gz JXTMURFAWCTEAN-CRAIPNDOSA-N 1 0 370.453 3.744 20 5 FHBDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(F)(F)F ZINC000893327707 944014710 /nfs/dbraw/zinc/01/47/10/944014710.db2.gz DVRKAYYTDFXPJO-YUELXQCFSA-N 1 0 374.359 3.595 20 5 FHBDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000425476996 944072362 /nfs/dbraw/zinc/07/23/62/944072362.db2.gz NUFZDTUUEOYHBE-BMIGLBTASA-N 1 0 357.248 3.651 20 5 FHBDRO COc1cc2c(cc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-])O[C@H](C)C2 ZINC000517202981 944099679 /nfs/dbraw/zinc/09/96/79/944099679.db2.gz HDSIGOOGELNIPN-CQSZACIVSA-N 1 0 356.422 3.601 20 5 FHBDRO O=C(CC[N@@H+](Cc1ccc(F)cc1)CC1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000500119609 944134640 /nfs/dbraw/zinc/13/46/40/944134640.db2.gz VLLRLOXAFIWOSO-UHFFFAOYSA-N 1 0 371.412 3.975 20 5 FHBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000437855824 944176407 /nfs/dbraw/zinc/17/64/07/944176407.db2.gz ZTEMAQMLMVGTOT-OAHLLOKOSA-N 1 0 365.861 3.775 20 5 FHBDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1(C)C ZINC000436376469 944245620 /nfs/dbraw/zinc/24/56/20/944245620.db2.gz HUWLGEYRIHQRQA-AZUAARDMSA-N 1 0 374.437 3.511 20 5 FHBDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000436379411 944265273 /nfs/dbraw/zinc/26/52/73/944265273.db2.gz XUFMKORLGJIRLG-UYAOXDASSA-N 1 0 374.437 3.511 20 5 FHBDRO CC[N@H+](CCC1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1)CC1CC1 ZINC000436412027 944284416 /nfs/dbraw/zinc/28/44/16/944284416.db2.gz NHULCSRLNCXYDC-UHFFFAOYSA-N 1 0 372.513 3.901 20 5 FHBDRO CSc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000500226119 944291730 /nfs/dbraw/zinc/29/17/30/944291730.db2.gz OXQWRXOYEJSNHP-STQMWFEESA-N 1 0 359.451 3.995 20 5 FHBDRO CSc1ccc([C@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000500228987 944304086 /nfs/dbraw/zinc/30/40/86/944304086.db2.gz DNNVKDTXALGIIR-ZDUSSCGKSA-N 1 0 371.462 3.557 20 5 FHBDRO O=[N+]([O-])c1cc(F)c(CN2CC3(CCC3)[C@H]2C2CCOCC2)c(F)c1 ZINC000425546486 944308435 /nfs/dbraw/zinc/30/84/35/944308435.db2.gz DXRBMXCSCPPZRD-QGZVFWFLSA-N 1 0 352.381 3.654 20 5 FHBDRO Cc1ccc(C[C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000500233465 944313223 /nfs/dbraw/zinc/31/32/23/944313223.db2.gz GHPIFBRQVLFZQU-QGZVFWFLSA-N 1 0 353.422 3.549 20 5 FHBDRO CCC[N@H+](CCc1cccc(F)c1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000500234918 944313937 /nfs/dbraw/zinc/31/39/37/944313937.db2.gz XRGWGWGRSFSVFA-UHFFFAOYSA-N 1 0 373.428 3.651 20 5 FHBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000515918635 944343082 /nfs/dbraw/zinc/34/30/82/944343082.db2.gz MRBKKVQTWPAFCW-INIZCTEOSA-N 1 0 371.437 3.736 20 5 FHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000426293035 944388537 /nfs/dbraw/zinc/38/85/37/944388537.db2.gz GMRUKAHOVKZDBA-WBVHZDCISA-N 1 0 357.429 3.924 20 5 FHBDRO Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425956851 944401259 /nfs/dbraw/zinc/40/12/59/944401259.db2.gz GCKDNWRXQAAIPH-UHFFFAOYSA-N 1 0 368.359 3.956 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)C1CC1 ZINC000426307748 944433171 /nfs/dbraw/zinc/43/31/71/944433171.db2.gz SRFKSNHPOCMNJV-IEBWSBKVSA-N 1 0 369.440 3.924 20 5 FHBDRO Cc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[NH+]2CCCC2)o1 ZINC000473779944 944440332 /nfs/dbraw/zinc/44/03/32/944440332.db2.gz RZILTMLRDKKREQ-KRWDZBQOSA-N 1 0 372.425 3.763 20 5 FHBDRO CCn1c(=O)c2cc3ccccc3cc2nc1SC[C@@H]1CC[N@H+](C)C1 ZINC000473781087 944444890 /nfs/dbraw/zinc/44/48/90/944444890.db2.gz MEMVIUFBWKBQGX-CQSZACIVSA-N 1 0 353.491 3.613 20 5 FHBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426333731 944478450 /nfs/dbraw/zinc/47/84/50/944478450.db2.gz JBGHENUBDKTKBI-IYBDPMFKSA-N 1 0 374.485 3.532 20 5 FHBDRO CC[C@H]([NH2+]Cc1cccc(S(=O)(=O)CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000467405709 944501589 /nfs/dbraw/zinc/50/15/89/944501589.db2.gz HCCYCCJJEWNWNT-SFHVURJKSA-N 1 0 362.451 3.629 20 5 FHBDRO COC[C@]1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)OCCc2ccccc21 ZINC000518623262 944552798 /nfs/dbraw/zinc/55/27/98/944552798.db2.gz BQCKJBVCCLEOFV-KKSFZXQISA-N 1 0 370.449 3.668 20 5 FHBDRO CCc1ccc([C@H](CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000843759034 944579965 /nfs/dbraw/zinc/57/99/65/944579965.db2.gz YUYDWJCIIZTHTM-SFHVURJKSA-N 1 0 373.428 3.637 20 5 FHBDRO CCc1oc2ccccc2c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000426003865 944606124 /nfs/dbraw/zinc/60/61/24/944606124.db2.gz UCFFUPPYNUNVNA-UHFFFAOYSA-N 1 0 354.410 3.937 20 5 FHBDRO O=c1[nH]ccc2c1C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)CC2 ZINC000426383528 944621973 /nfs/dbraw/zinc/62/19/73/944621973.db2.gz BHCHETMUYGSMDU-UHFFFAOYSA-N 1 0 367.430 3.982 20 5 FHBDRO CC(C)(C)CC[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000517806588 944654402 /nfs/dbraw/zinc/65/44/02/944654402.db2.gz QOXHRKDOCUVDKS-UHFFFAOYSA-N 1 0 368.865 3.834 20 5 FHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000507599326 944664204 /nfs/dbraw/zinc/66/42/04/944664204.db2.gz XBEGFPOATQHMPL-UKRRQHHQSA-N 1 0 373.840 3.814 20 5 FHBDRO C[C@]1(c2ccccc2)CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000438484259 944666378 /nfs/dbraw/zinc/66/63/78/944666378.db2.gz QMQBKBAMSMCTIG-FQEVSTJZSA-N 1 0 364.405 3.808 20 5 FHBDRO C[N@@H+]1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1ccccc1 ZINC000536261096 944671937 /nfs/dbraw/zinc/67/19/37/944671937.db2.gz BENVAAWMCKZWRI-VQIMIIECSA-N 1 0 365.389 3.516 20 5 FHBDRO CC[NH+](CC)CC1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000506911518 944736904 /nfs/dbraw/zinc/73/69/04/944736904.db2.gz RMCVTDLDWWNKFN-UHFFFAOYSA-N 1 0 371.428 3.750 20 5 FHBDRO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC[C@H]1CCCC[N@@H+]1C ZINC000072758969 944740800 /nfs/dbraw/zinc/74/08/00/944740800.db2.gz FBWXPGZUILUDIB-QGZVFWFLSA-N 1 0 372.469 3.599 20 5 FHBDRO O=C(C[N@@H+]1CC[C@@H]2CCC[C@H]21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000426455515 944839825 /nfs/dbraw/zinc/83/98/25/944839825.db2.gz TWROVJBEYWOWGE-BLLLJJGKSA-N 1 0 372.450 3.531 20 5 FHBDRO O=[N+]([O-])c1cc(C[N@@H+](CCO)C2CC2)ccc1Oc1ccccc1Cl ZINC000507132658 944975071 /nfs/dbraw/zinc/97/50/71/944975071.db2.gz OKRWTIRHDMSMRL-UHFFFAOYSA-N 1 0 362.813 3.997 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000507201146 945026205 /nfs/dbraw/zinc/02/62/05/945026205.db2.gz DPXSYJRDNSIDPR-MRXNPFEDSA-N 1 0 353.422 3.640 20 5 FHBDRO CSCc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000437107366 945028798 /nfs/dbraw/zinc/02/87/98/945028798.db2.gz KEMUDJCUMMYYNM-AWEZNQCLSA-N 1 0 373.478 3.965 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC000124038272 945059929 /nfs/dbraw/zinc/05/99/29/945059929.db2.gz UDEBOHOCIQSWKA-HOCLYGCPSA-N 1 0 353.422 3.639 20 5 FHBDRO CC(C)C1CCC([NH+]2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000440313526 945395156 /nfs/dbraw/zinc/39/51/56/945395156.db2.gz JCEBKMGNRDRWHK-UHFFFAOYSA-N 1 0 359.514 3.970 20 5 FHBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181751197 945648260 /nfs/dbraw/zinc/64/82/60/945648260.db2.gz RNLQGEDKFMWKEN-AUUYWEPGSA-N 1 0 351.410 3.977 20 5 FHBDRO C[NH+](C)CC[C@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C(C)(C)C ZINC001126031531 945715645 /nfs/dbraw/zinc/71/56/45/945715645.db2.gz LDNNYYUJJHGMEP-INIZCTEOSA-N 1 0 369.893 3.663 20 5 FHBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000281653385 945792939 /nfs/dbraw/zinc/79/29/39/945792939.db2.gz IHTLEDJWWDQXFJ-UHFFFAOYSA-N 1 0 363.461 3.652 20 5 FHBDRO CC[N@@H+](Cc1ccc(Cl)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000519908722 945873967 /nfs/dbraw/zinc/87/39/67/945873967.db2.gz LYFGQXWOQMCDKO-KRWDZBQOSA-N 1 0 364.829 3.510 20 5 FHBDRO Cc1cc(NCc2cccc([N+](=O)[O-])c2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000893450274 946010863 /nfs/dbraw/zinc/01/08/63/946010863.db2.gz ACLNEPJLXYTVII-UHFFFAOYSA-N 1 0 352.350 3.702 20 5 FHBDRO C/C(=C/C(=O)NCCCC[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785279465 946038584 /nfs/dbraw/zinc/03/85/84/946038584.db2.gz CDXJDLWZANHIDD-ICFOKQHNSA-N 1 0 359.470 3.626 20 5 FHBDRO Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC[NH+]1CCCC1 ZINC000522903542 946083125 /nfs/dbraw/zinc/08/31/25/946083125.db2.gz XDBSSQSGQHNUHN-UHFFFAOYSA-N 1 0 369.421 3.630 20 5 FHBDRO CC[N@H+](CCNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C(C)C ZINC000236879132 946169282 /nfs/dbraw/zinc/16/92/82/946169282.db2.gz BMQFPYBYBKCGBM-UHFFFAOYSA-N 1 0 361.442 3.683 20 5 FHBDRO CC[C@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000151778424 946226258 /nfs/dbraw/zinc/22/62/58/946226258.db2.gz FUEMQJPJOSGZOQ-ZDUSSCGKSA-N 1 0 369.347 3.556 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000043149794 946397648 /nfs/dbraw/zinc/39/76/48/946397648.db2.gz RGBBYPUEOMWVHP-QGZVFWFLSA-N 1 0 372.425 3.845 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000475142903 946489867 /nfs/dbraw/zinc/48/98/67/946489867.db2.gz BUVWWBDFJIAPDM-HOTGVXAUSA-N 1 0 363.458 3.736 20 5 FHBDRO CC1(C)O[C@@H]2C[C@@H]([NH2+]Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@@H]2O1 ZINC000897051204 946550826 /nfs/dbraw/zinc/55/08/26/946550826.db2.gz UYMNFCNXGNJFQZ-UOJUARBOSA-N 1 0 361.225 3.674 20 5 FHBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(N3CCCC3=O)cc2)cccc1[N+](=O)[O-] ZINC000178445277 946561833 /nfs/dbraw/zinc/56/18/33/946561833.db2.gz OCZCDLYBTNSOGQ-HNNXBMFYSA-N 1 0 353.422 3.881 20 5 FHBDRO CC(C)c1ccc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000473904412 946604639 /nfs/dbraw/zinc/60/46/39/946604639.db2.gz XCGCOIZNZKJHPU-MRXNPFEDSA-N 1 0 359.470 3.522 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000475555449 946639580 /nfs/dbraw/zinc/63/95/80/946639580.db2.gz MLKAMALXTUBHSW-UHFFFAOYSA-N 1 0 374.416 3.604 20 5 FHBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H]1C ZINC000475194483 946678231 /nfs/dbraw/zinc/67/82/31/946678231.db2.gz QPACKDCEPGXPRS-WDEREUQCSA-N 1 0 374.363 3.560 20 5 FHBDRO Cc1ccc(CN[C@@H](CO)c2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] ZINC000475566901 946679623 /nfs/dbraw/zinc/67/96/23/946679623.db2.gz JGHDJEFKGKIXQL-AWEZNQCLSA-N 1 0 370.327 3.625 20 5 FHBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000843767239 946688527 /nfs/dbraw/zinc/68/85/27/946688527.db2.gz CGJJPVWIBGLPIT-KBPBESRZSA-N 1 0 365.449 3.530 20 5 FHBDRO CC[N@@H+](Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])CC1CCC1 ZINC000475581281 946747111 /nfs/dbraw/zinc/74/71/11/946747111.db2.gz NURRKTGSITUFAK-UHFFFAOYSA-N 1 0 358.385 3.869 20 5 FHBDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000072790069 946773818 /nfs/dbraw/zinc/77/38/18/946773818.db2.gz GUEBXZUSKFBLDP-UHFFFAOYSA-N 1 0 354.410 3.512 20 5 FHBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000112560657 946902746 /nfs/dbraw/zinc/90/27/46/946902746.db2.gz JZAQICRJGOYUET-UHFFFAOYSA-N 1 0 367.877 3.832 20 5 FHBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1O ZINC000475339701 946907779 /nfs/dbraw/zinc/90/77/79/946907779.db2.gz RIXFBGUNPZBSIF-XJKSGUPXSA-N 1 0 360.385 3.874 20 5 FHBDRO CCCC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C)on1 ZINC000112532143 946908579 /nfs/dbraw/zinc/90/85/79/946908579.db2.gz NYVGBELPOFULNR-CZUORRHYSA-N 1 0 360.414 3.739 20 5 FHBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H]1C ZINC000475361810 946954144 /nfs/dbraw/zinc/95/41/44/946954144.db2.gz KMUAUHQSUQNRBX-UKRRQHHQSA-N 1 0 374.462 3.954 20 5 FHBDRO COCCOCC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000153986958 946960153 /nfs/dbraw/zinc/96/01/53/946960153.db2.gz JJUWZCRCYBSTSJ-ZDUSSCGKSA-N 1 0 350.440 3.637 20 5 FHBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000523178707 946969562 /nfs/dbraw/zinc/96/95/62/946969562.db2.gz GRRBKFCEOSPLEU-OAHLLOKOSA-N 1 0 360.458 3.546 20 5 FHBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000112918666 946992250 /nfs/dbraw/zinc/99/22/50/946992250.db2.gz IVHUKYISHGQSSX-UHFFFAOYSA-N 1 0 367.877 3.832 20 5 FHBDRO CC(C)(C)c1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000049073229 947007133 /nfs/dbraw/zinc/00/71/33/947007133.db2.gz LKPMNWYIUKOBQI-UHFFFAOYSA-N 1 0 373.497 3.840 20 5 FHBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@H](COC(N)=O)Cc1ccccc1 ZINC000840961126 947045005 /nfs/dbraw/zinc/04/50/05/947045005.db2.gz QYAXTSWBFLIWFF-BXBOZWQASA-N 1 0 369.421 3.708 20 5 FHBDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000475430765 947075284 /nfs/dbraw/zinc/07/52/84/947075284.db2.gz VVJRKTFPQNINIS-HNNXBMFYSA-N 1 0 373.478 3.671 20 5 FHBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186367868 947075719 /nfs/dbraw/zinc/07/57/19/947075719.db2.gz GGKOGLUYWNCXRY-QZTJIDSGSA-N 1 0 359.426 3.933 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCC[C@@H]3Cc3ccccc3)nc2c1 ZINC000444685581 947087013 /nfs/dbraw/zinc/08/70/13/947087013.db2.gz SSLJPZPWZHQJIF-WBVHZDCISA-N 1 0 350.422 3.972 20 5 FHBDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000444667134 947094347 /nfs/dbraw/zinc/09/43/47/947094347.db2.gz AVMJRXBPSITRKX-RHSMWYFYSA-N 1 0 363.458 3.833 20 5 FHBDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444674866 947098789 /nfs/dbraw/zinc/09/87/89/947098789.db2.gz LYLWCWILYDLRIS-ZMZPIMSZSA-N 1 0 374.828 3.990 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000444704421 947132693 /nfs/dbraw/zinc/13/26/93/947132693.db2.gz LBOJKZWXWJAYSB-UHFFFAOYSA-N 1 0 371.437 3.681 20 5 FHBDRO C[C@H](c1cc2ccccc2o1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248374643 947231010 /nfs/dbraw/zinc/23/10/10/947231010.db2.gz SERZMLUVYYJUGY-GDBMZVCRSA-N 1 0 370.405 3.774 20 5 FHBDRO Cc1ccc(C)c([C@@H](C)[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000523438729 947268547 /nfs/dbraw/zinc/26/85/47/947268547.db2.gz NOURIPQRZBVXRG-AEFFLSMTSA-N 1 0 358.438 3.644 20 5 FHBDRO CCOC[C@H]1CC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000093839059 947368632 /nfs/dbraw/zinc/36/86/32/947368632.db2.gz WEFBPKIFMBPHMC-AWEZNQCLSA-N 1 0 360.410 3.722 20 5 FHBDRO C[C@H]1C[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000150781150 947531939 /nfs/dbraw/zinc/53/19/39/947531939.db2.gz ZVILIDPPHKKONY-WMLDXEAASA-N 1 0 371.412 3.517 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2c(F)cccc2Br)cc1 ZINC000394693452 947560479 /nfs/dbraw/zinc/56/04/79/947560479.db2.gz COOARCNOGRYTCI-UHFFFAOYSA-N 1 0 353.191 3.829 20 5 FHBDRO CC[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@]2(CCOC2)O1 ZINC000475624992 947611682 /nfs/dbraw/zinc/61/16/82/947611682.db2.gz LTADRPBIGRDERJ-QRWLVFNGSA-N 1 0 372.421 3.625 20 5 FHBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001167808569 948002945 /nfs/dbraw/zinc/00/29/45/948002945.db2.gz SAUBNMNBVIFGOA-OAHLLOKOSA-N 1 0 369.421 3.601 20 5 FHBDRO [NH3+]C1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 ZINC000178503871 948006527 /nfs/dbraw/zinc/00/65/27/948006527.db2.gz GQBNFIWELAMPLF-UHFFFAOYSA-N 1 0 371.462 3.746 20 5 FHBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000131468729 948010569 /nfs/dbraw/zinc/01/05/69/948010569.db2.gz KGKSPPYBMRCBQM-OAHLLOKOSA-N 1 0 365.499 3.509 20 5 FHBDRO CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]Cc2c3ccccc3cc3ccccc32)O1 ZINC000182042126 948377770 /nfs/dbraw/zinc/37/77/70/948377770.db2.gz INOJJJIOOMXHGE-XMSQKQJNSA-N 1 0 362.473 3.718 20 5 FHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000182077267 948537136 /nfs/dbraw/zinc/53/71/36/948537136.db2.gz KZVJBYFHEDZAAO-CQSZACIVSA-N 1 0 373.478 3.567 20 5 FHBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000571126212 948588411 /nfs/dbraw/zinc/58/84/11/948588411.db2.gz VOERSEVBRXXUDP-YURUWKFZSA-N 1 0 354.406 3.710 20 5 FHBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000571333375 948607714 /nfs/dbraw/zinc/60/77/14/948607714.db2.gz FVPORMGAKXJSPJ-UHFFFAOYSA-N 1 0 360.458 3.639 20 5 FHBDRO C[N@H+](CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000571479541 948623206 /nfs/dbraw/zinc/62/32/06/948623206.db2.gz PEBRGBZKNDWPJZ-UHFFFAOYSA-N 1 0 367.877 3.562 20 5 FHBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC[C@@H]21 ZINC000090112785 948666648 /nfs/dbraw/zinc/66/66/48/948666648.db2.gz DOQNLBLJZWOFEU-IRXDYDNUSA-N 1 0 352.438 3.577 20 5 FHBDRO CN(C(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000053617785 221047598 /nfs/dbraw/zinc/04/75/98/221047598.db2.gz ZMSKQYMTSQPGJS-IBGZPJMESA-N 1 0 355.438 3.935 20 5 FHBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000568130131 567910855 /nfs/dbraw/zinc/91/08/55/567910855.db2.gz JQXIHVFKNVCSOG-UHFFFAOYSA-N 1 0 365.522 3.704 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCSc4ccccc43)CC2)cn1 ZINC000602505110 567988626 /nfs/dbraw/zinc/98/86/26/567988626.db2.gz SLEPRFIQCOQFPG-KRWDZBQOSA-N 1 0 370.478 3.785 20 5 FHBDRO CCC[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000481582672 568059816 /nfs/dbraw/zinc/05/98/16/568059816.db2.gz OUBXAUBAHOMQOU-PKOBYXMFSA-N 1 0 362.401 3.605 20 5 FHBDRO Cc1sc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000265004327 568060629 /nfs/dbraw/zinc/06/06/29/568060629.db2.gz FGYPQLXIQWPJTK-UKRRQHHQSA-N 1 0 365.499 3.691 20 5 FHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000291228321 568084181 /nfs/dbraw/zinc/08/41/81/568084181.db2.gz PLWICQZRNFYSRV-LSDHHAIUSA-N 1 0 368.437 3.926 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000481990156 568215894 /nfs/dbraw/zinc/21/58/94/568215894.db2.gz IMRIFKHGDOQNAD-OALUTQOASA-N 1 0 366.465 3.789 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccn(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000482033043 568232955 /nfs/dbraw/zinc/23/29/55/568232955.db2.gz NEQWLVURLICECO-MRXNPFEDSA-N 1 0 350.422 3.982 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000541932659 568242656 /nfs/dbraw/zinc/24/26/56/568242656.db2.gz TZRIWKFBGWKMNX-UHFFFAOYSA-N 1 0 369.469 3.745 20 5 FHBDRO Cc1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000569658948 568416441 /nfs/dbraw/zinc/41/64/41/568416441.db2.gz NEBUTHDWKMEQSZ-UHFFFAOYSA-N 1 0 365.227 3.834 20 5 FHBDRO COc1ncccc1CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000569771869 568422884 /nfs/dbraw/zinc/42/28/84/568422884.db2.gz DMAYMILCWCSAHD-FUHWJXTLSA-N 1 0 355.438 3.542 20 5 FHBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000570248028 568466231 /nfs/dbraw/zinc/46/62/31/568466231.db2.gz HOEHNFIBCAIBQF-SHRNQRGKSA-N 1 0 367.453 3.873 20 5 FHBDRO CC(C)c1ccc(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000820192328 599396183 /nfs/dbraw/zinc/39/61/83/599396183.db2.gz JXISZFRVPHFGPT-ZDUSSCGKSA-N 1 0 366.425 3.749 20 5 FHBDRO CC(C)c1ccc(C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000824347731 608526096 /nfs/dbraw/zinc/52/60/96/608526096.db2.gz LTUJXRXYWWGCLM-UHFFFAOYSA-N 1 0 366.425 3.530 20 5 FHBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(Cl)c1 ZINC001164624680 719055504 /nfs/dbraw/zinc/05/55/04/719055504.db2.gz OUGUICJUVQIIQE-QAPCUYQASA-N 1 0 372.856 3.744 20 5 FHBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164618863 719056528 /nfs/dbraw/zinc/05/65/28/719056528.db2.gz BZQUXJUVAZULQO-WBVHZDCISA-N 1 0 372.856 3.744 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164623614 719083174 /nfs/dbraw/zinc/08/31/74/719083174.db2.gz JXYCFZIVGROJFT-RBUKOAKNSA-N 1 0 366.465 3.707 20 5 FHBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277989558 936320806 /nfs/dbraw/zinc/32/08/06/936320806.db2.gz WPWDLSZLZMOYNZ-HNNXBMFYSA-N 1 0 363.461 3.698 20 5 FHBDRO Cc1c([C@@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000162246054 936363277 /nfs/dbraw/zinc/36/32/77/936363277.db2.gz BRNUHVJRBXWBMA-MRXNPFEDSA-N 1 0 354.454 3.613 20 5 FHBDRO C[C@@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000110698459 945063951 /nfs/dbraw/zinc/06/39/51/945063951.db2.gz XMKZXPQYNIEUBB-AWEZNQCLSA-N 1 0 368.437 3.551 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000471136921 927725231 /nfs/dbraw/zinc/72/52/31/927725231.db2.gz OIHIRSVULZFOMU-JXFKEZNVSA-N 1 0 369.465 3.941 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000430209132 928090663 /nfs/dbraw/zinc/09/06/63/928090663.db2.gz XASVUWOPBIRQPC-QGZVFWFLSA-N 1 0 366.421 3.618 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000430215035 928203513 /nfs/dbraw/zinc/20/35/13/928203513.db2.gz CUOXSDFPGBDXDN-INIZCTEOSA-N 1 0 372.396 3.837 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000430217779 928258100 /nfs/dbraw/zinc/25/81/00/928258100.db2.gz IJQUYZBAGDUBIC-KRWDZBQOSA-N 1 0 356.422 3.642 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H]([S@@](=O)CC)C2)cc1[N+](=O)[O-] ZINC000154154081 928265181 /nfs/dbraw/zinc/26/51/81/928265181.db2.gz YWEQGWQNEFUFHQ-QLKJIBSISA-N 1 0 368.499 3.724 20 5 FHBDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000248136802 937256350 /nfs/dbraw/zinc/25/63/50/937256350.db2.gz PDFXHRYZPTYBKT-TWOQFEAHSA-N 1 0 354.454 3.551 20 5 FHBDRO Cc1cccc(C[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000471184869 928706348 /nfs/dbraw/zinc/70/63/48/928706348.db2.gz CMXUQNGNFCNSOU-UHFFFAOYSA-N 1 0 352.394 3.628 20 5 FHBDRO COc1ccc(NC(=O)CC[N@H+](C)C[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000066854663 929233814 /nfs/dbraw/zinc/23/38/14/929233814.db2.gz BZPJBQFLHPDSHM-OAHLLOKOSA-N 1 0 371.437 3.668 20 5 FHBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@H]1CCCc1ccccc1 ZINC000535628474 929309868 /nfs/dbraw/zinc/30/98/68/929309868.db2.gz WBSXMXFDXSQESX-IBGZPJMESA-N 1 0 369.465 3.634 20 5 FHBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000278191733 937328706 /nfs/dbraw/zinc/32/87/06/937328706.db2.gz OSKWMQNIBIIYNN-HUUCEWRRSA-N 1 0 363.461 3.696 20 5 FHBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000134014670 929639939 /nfs/dbraw/zinc/63/99/39/929639939.db2.gz UFWSWYKWNVBLOH-QUCCMNQESA-N 1 0 365.433 3.660 20 5 FHBDRO O=C(NC1CCCCC1)OC[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000796681990 937347440 /nfs/dbraw/zinc/34/74/40/937347440.db2.gz FZGITFWZOLVJKB-GOSISDBHSA-N 1 0 361.442 3.618 20 5 FHBDRO CC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000023677913 929693257 /nfs/dbraw/zinc/69/32/57/929693257.db2.gz LGHXCVDRPYCYGQ-WMZOPIPTSA-N 1 0 364.829 3.729 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000118850473 929763812 /nfs/dbraw/zinc/76/38/12/929763812.db2.gz HXWGOGHTMDVQDL-KEYYUXOJSA-N 1 0 361.442 3.585 20 5 FHBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1[N+](=O)[O-] ZINC000175851047 929968534 /nfs/dbraw/zinc/96/85/34/929968534.db2.gz LLQCAZKZUXKZGQ-ZBFHGGJFSA-N 1 0 362.451 3.753 20 5 FHBDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000610420568 930494790 /nfs/dbraw/zinc/49/47/90/930494790.db2.gz XTOTWQKIBLSMTM-AFAVFJNCSA-N 1 0 368.355 3.780 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3(CO)CCCC3)o2)c(Cl)c1 ZINC000083475440 930575661 /nfs/dbraw/zinc/57/56/61/930575661.db2.gz HNHVUCPCPMFLBL-UHFFFAOYSA-N 1 0 350.802 3.903 20 5 FHBDRO CCC[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000126942299 937433229 /nfs/dbraw/zinc/43/32/29/937433229.db2.gz BLRIQBFFDJDIQM-MJGOQNOKSA-N 1 0 359.470 3.817 20 5 FHBDRO CC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(Cl)c1 ZINC000537023252 930763197 /nfs/dbraw/zinc/76/31/97/930763197.db2.gz RKEPTXYJKOHQAI-QGZVFWFLSA-N 1 0 373.840 3.878 20 5 FHBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275898679 930765307 /nfs/dbraw/zinc/76/53/07/930765307.db2.gz SZADFKSEOKXXDK-CCEZHUSRSA-N 1 0 353.422 3.741 20 5 FHBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000261900831 930893189 /nfs/dbraw/zinc/89/31/89/930893189.db2.gz WOQLTRAPJWWICJ-ZIAGYGMSSA-N 1 0 371.462 3.555 20 5 FHBDRO COc1ccc(CN2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000610451946 931018363 /nfs/dbraw/zinc/01/83/63/931018363.db2.gz PRTYLTXLSYCDLV-KRWDZBQOSA-N 1 0 369.465 3.700 20 5 FHBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001167434214 931140176 /nfs/dbraw/zinc/14/01/76/931140176.db2.gz SQXMKFXKBGSAOM-TYNCELHUSA-N 1 0 351.834 3.840 20 5 FHBDRO CC[C@H]([NH2+]CC(=O)Nc1cc(C)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000177815324 931194060 /nfs/dbraw/zinc/19/40/60/931194060.db2.gz ZDYJXDXEHHMRQD-INIZCTEOSA-N 1 0 357.410 3.591 20 5 FHBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000610468832 931379260 /nfs/dbraw/zinc/37/92/60/931379260.db2.gz IGRCNLOXCRUILQ-CQSZACIVSA-N 1 0 360.845 3.744 20 5 FHBDRO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000126114179 931402426 /nfs/dbraw/zinc/40/24/26/931402426.db2.gz WGKLTCQHOOQNOM-KRWDZBQOSA-N 1 0 371.481 3.740 20 5 FHBDRO CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000177875428 931430789 /nfs/dbraw/zinc/43/07/89/931430789.db2.gz AOXBFOXNXIWJGZ-HNAYVOBHSA-N 1 0 355.438 3.773 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000157013819 931774491 /nfs/dbraw/zinc/77/44/91/931774491.db2.gz FHKWAZUECAGZIG-CQSZACIVSA-N 1 0 374.466 3.568 20 5 FHBDRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1[N+](=O)[O-] ZINC000127175505 931864001 /nfs/dbraw/zinc/86/40/01/931864001.db2.gz NPPXZNRZTPZVRO-HNNXBMFYSA-N 1 0 351.410 3.677 20 5 FHBDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)CCS2 ZINC000276169287 931966314 /nfs/dbraw/zinc/96/63/14/931966314.db2.gz SHHUKBGUBZTYCL-HNNXBMFYSA-N 1 0 360.435 3.939 20 5 FHBDRO COc1ccc(NC(=O)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000135227876 932078250 /nfs/dbraw/zinc/07/82/50/932078250.db2.gz SWCAFPKUDZZHBB-UHFFFAOYSA-N 1 0 369.421 3.597 20 5 FHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](OCc2c(C)noc2C)C1 ZINC000581456162 932089948 /nfs/dbraw/zinc/08/99/48/932089948.db2.gz SHWNALZQUFYSCG-JNMQVBFRSA-N 1 0 371.437 3.894 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCc4nc[nH]c4C3)s2)cc1 ZINC000581517918 932195453 /nfs/dbraw/zinc/19/54/53/932195453.db2.gz CWMHRIJLWKCBMD-ZDUSSCGKSA-N 1 0 354.435 3.694 20 5 FHBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1 ZINC000276340681 932212648 /nfs/dbraw/zinc/21/26/48/932212648.db2.gz MJNQVGZNGKSMRR-UHFFFAOYSA-N 1 0 359.430 3.535 20 5 FHBDRO Cc1cc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000581679246 932475926 /nfs/dbraw/zinc/47/59/26/932475926.db2.gz NXNXJPIUIQHFCV-INIZCTEOSA-N 1 0 357.376 3.844 20 5 FHBDRO COc1ccc(OC)c(CN(Cc2ccc(OC)c([N+](=O)[O-])c2)C2CC2)c1 ZINC000051184202 932536305 /nfs/dbraw/zinc/53/63/05/932536305.db2.gz QXNILFZFSJNBBJ-UHFFFAOYSA-N 1 0 372.421 3.785 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430660554 932696683 /nfs/dbraw/zinc/69/66/83/932696683.db2.gz DSKJYRQMZDZCEX-WMZOPIPTSA-N 1 0 367.449 3.686 20 5 FHBDRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000891566146 932767296 /nfs/dbraw/zinc/76/72/96/932767296.db2.gz BBXIFNIUQHHHLC-CQSZACIVSA-N 1 0 361.467 3.870 20 5 FHBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C)[NH+](C)C ZINC000510519700 933185112 /nfs/dbraw/zinc/18/51/12/933185112.db2.gz CUIBEFFSMRNDBV-BEFAXECRSA-N 1 0 355.438 3.633 20 5 FHBDRO C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582295 933328949 /nfs/dbraw/zinc/32/89/49/933328949.db2.gz BWQLQIPDGYHDLL-RYZVSIALSA-N 1 0 373.434 3.666 20 5 FHBDRO CN(C(=O)[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000430879223 933357891 /nfs/dbraw/zinc/35/78/91/933357891.db2.gz MXWBXLVXWVZGDG-YPLUBFQTSA-N 1 0 365.433 3.593 20 5 FHBDRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])CC3 ZINC000548394907 933372113 /nfs/dbraw/zinc/37/21/13/933372113.db2.gz FZMZWWSNMKYPCJ-HNNXBMFYSA-N 1 0 365.433 3.774 20 5 FHBDRO CCC1([NH+]2CCC2)CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000924380564 933531368 /nfs/dbraw/zinc/53/13/68/933531368.db2.gz AJXQENWOSJXFOK-UHFFFAOYSA-N 1 0 359.470 3.611 20 5 FHBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1)OCCO2 ZINC000610613336 933534780 /nfs/dbraw/zinc/53/47/80/933534780.db2.gz WXXOBGLKJMZPRS-AAEUAGOBSA-N 1 0 374.359 3.824 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000121607157 933652176 /nfs/dbraw/zinc/65/21/76/933652176.db2.gz UAVCIXIAOYFLOE-OAHLLOKOSA-N 1 0 374.485 3.554 20 5 FHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000477862701 933783300 /nfs/dbraw/zinc/78/33/00/933783300.db2.gz ORILFCZPVUCEMD-CQSZACIVSA-N 1 0 353.422 3.979 20 5 FHBDRO CC(C)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000538099403 934066652 /nfs/dbraw/zinc/06/66/52/934066652.db2.gz YBAVVLLJYXVGPC-GOSISDBHSA-N 1 0 355.394 3.971 20 5 FHBDRO CCC[C@H]1CCCC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000548487498 934159284 /nfs/dbraw/zinc/15/92/84/934159284.db2.gz FIODHOUUMZYRLN-GOEBONIOSA-N 1 0 361.442 3.841 20 5 FHBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000458206284 934376767 /nfs/dbraw/zinc/37/67/67/934376767.db2.gz UCNYHAQTRRNCMT-UHFFFAOYSA-N 1 0 367.858 3.514 20 5 FHBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000277129128 934539971 /nfs/dbraw/zinc/53/99/71/934539971.db2.gz GGUUJARWHVRIDJ-INIZCTEOSA-N 1 0 363.461 3.650 20 5 FHBDRO CCOC(=O)CCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OCC)CC1 ZINC000610997731 934737250 /nfs/dbraw/zinc/73/72/50/934737250.db2.gz CWVOKZXOENKRFB-UHFFFAOYSA-N 1 0 364.442 3.549 20 5 FHBDRO COc1c(O)ccc(CN(C)[C@H](C)c2sc(C)nc2C)c1[N+](=O)[O-] ZINC000891991446 934812797 /nfs/dbraw/zinc/81/27/97/934812797.db2.gz BZENVHHJVXBLEZ-SNVBAGLBSA-N 1 0 351.428 3.575 20 5 FHBDRO C[NH+](C)CCOc1ccc(CNc2nccc3c2cccc3[N+](=O)[O-])cc1 ZINC000450260363 934878651 /nfs/dbraw/zinc/87/86/51/934878651.db2.gz JJOHHCSUBLPXSK-UHFFFAOYSA-N 1 0 366.421 3.696 20 5 FHBDRO C[C@]1(O)CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000538718667 934897931 /nfs/dbraw/zinc/89/79/31/934897931.db2.gz GRQGBTMNVMOJRI-IBGZPJMESA-N 1 0 360.385 3.873 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)C1CC1 ZINC000539067280 935008612 /nfs/dbraw/zinc/00/86/12/935008612.db2.gz DTCULVISJGHQLB-HXUWFJFHSA-N 1 0 362.433 3.891 20 5 FHBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000539084201 935015787 /nfs/dbraw/zinc/01/57/87/935015787.db2.gz PRXALRXVOQXNRC-UHFFFAOYSA-N 1 0 360.376 3.743 20 5 FHBDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000119690198 935032586 /nfs/dbraw/zinc/03/25/86/935032586.db2.gz ANBOTQKGNMLOHR-FUHWJXTLSA-N 1 0 355.438 3.923 20 5 FHBDRO C[C@@H]([NH2+][C@H](C)C(C)(C)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000539254707 935116460 /nfs/dbraw/zinc/11/64/60/935116460.db2.gz RCFISNJMGNEZHB-HUUCEWRRSA-N 1 0 355.438 3.878 20 5 FHBDRO CC[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(C)cc1 ZINC000539255819 935117044 /nfs/dbraw/zinc/11/70/44/935117044.db2.gz QZFHCXWFQZBJEQ-MOPGFXCFSA-N 1 0 353.422 3.749 20 5 FHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000582032594 935150622 /nfs/dbraw/zinc/15/06/22/935150622.db2.gz PUPWNUSMYMUILY-LREMZREWSA-N 1 0 352.434 3.754 20 5 FHBDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000157729823 935171309 /nfs/dbraw/zinc/17/13/09/935171309.db2.gz YPUCAXWRGQCGSC-GXTWGEPZSA-N 1 0 373.457 3.533 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1cn(C)c2ccccc12 ZINC001203156465 935202270 /nfs/dbraw/zinc/20/22/70/935202270.db2.gz ZOHANUSPZMOHMX-UHFFFAOYSA-N 1 0 353.422 3.818 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000539490097 935216123 /nfs/dbraw/zinc/21/61/23/935216123.db2.gz ICTJSXUAQVIHPY-HXUWFJFHSA-N 1 0 354.406 3.649 20 5 FHBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000511080214 935314697 /nfs/dbraw/zinc/31/46/97/935314697.db2.gz HUGVMLURDGMEDP-CQSZACIVSA-N 1 0 368.359 3.690 20 5 FHBDRO COc1ccc(NC(=O)C[NH2+][C@H](CC2CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000611395108 935354238 /nfs/dbraw/zinc/35/42/38/935354238.db2.gz BQCBMJRQJKERQI-GOSISDBHSA-N 1 0 369.421 3.673 20 5 FHBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000051502430 935388305 /nfs/dbraw/zinc/38/83/05/935388305.db2.gz XGECIWCTQKHXFA-UHFFFAOYSA-N 1 0 362.433 3.855 20 5 FHBDRO Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000540474927 935464614 /nfs/dbraw/zinc/46/46/14/935464614.db2.gz HFRBGIUWAOQLIY-AEFFLSMTSA-N 1 0 358.438 3.611 20 5 FHBDRO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000507280674 945104952 /nfs/dbraw/zinc/10/49/52/945104952.db2.gz RHRCTPWVCSMSTL-UHFFFAOYSA-N 1 0 357.385 3.585 20 5 FHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOc2ncc(Cl)cc2Cl)c(F)c1 ZINC000478248078 935597267 /nfs/dbraw/zinc/59/72/67/935597267.db2.gz DUZVQOQZCZNHSB-UHFFFAOYSA-N 1 0 360.172 3.604 20 5 FHBDRO COCC[NH+](CCOC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000158181839 935617148 /nfs/dbraw/zinc/61/71/48/935617148.db2.gz IPJCIOIIHCAFBS-UHFFFAOYSA-N 1 0 368.817 3.603 20 5 FHBDRO CCC(CC)[C@@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[NH+](C)C ZINC000127746599 935767737 /nfs/dbraw/zinc/76/77/37/935767737.db2.gz WPYSTBYMITWKSL-MRXNPFEDSA-N 1 0 350.463 3.700 20 5 FHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(NC(=O)N(C)C)cc1 ZINC000479070430 935781027 /nfs/dbraw/zinc/78/10/27/935781027.db2.gz YQQGDSLXIMABHQ-RVDMUPIBSA-N 1 0 368.437 3.881 20 5 FHBDRO COc1ccc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1F ZINC000178593733 935808596 /nfs/dbraw/zinc/80/85/96/935808596.db2.gz WCAWQHADWBAOJD-GOSISDBHSA-N 1 0 358.413 3.896 20 5 FHBDRO CCc1ccc([C@@H](CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000176683203 935843807 /nfs/dbraw/zinc/84/38/07/935843807.db2.gz QOVFDWRJNCDCRG-GOSISDBHSA-N 1 0 373.428 3.637 20 5 FHBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000176350241 935918691 /nfs/dbraw/zinc/91/86/91/935918691.db2.gz GVWGOUNRCPPTIP-CYBMUJFWSA-N 1 0 361.467 3.517 20 5 FHBDRO CCOc1cccc2cc([C@H](C)[NH2+]CCn3c(C)ncc3[N+](=O)[O-])oc21 ZINC000611696696 935936141 /nfs/dbraw/zinc/93/61/41/935936141.db2.gz KAWPVOMKBMXSSS-LBPRGKRZSA-N 1 0 358.398 3.595 20 5 FHBDRO COc1ccc(OCC[N@H+](C)Cc2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000472255594 936068080 /nfs/dbraw/zinc/06/80/80/936068080.db2.gz HFCQAOJMUXCVPO-UHFFFAOYSA-N 1 0 356.378 3.860 20 5 FHBDRO C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611713908 936075664 /nfs/dbraw/zinc/07/56/64/936075664.db2.gz LGZQLGOLEXVYSL-UONOGXRCSA-N 1 0 355.442 3.603 20 5 FHBDRO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178679355 936165304 /nfs/dbraw/zinc/16/53/04/936165304.db2.gz HYJCQCYHSHJUEG-CABCVRRESA-N 1 0 371.437 3.898 20 5 FHBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178682410 936174132 /nfs/dbraw/zinc/17/41/32/936174132.db2.gz ZDJOOJUYTXTUPG-ZIAGYGMSSA-N 1 0 357.410 3.590 20 5 FHBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(CO)CCC2)ccc1Oc1ccc(F)cc1 ZINC000612204328 936195081 /nfs/dbraw/zinc/19/50/81/936195081.db2.gz ZPDMKPSYBAZMHH-UHFFFAOYSA-N 1 0 360.385 3.778 20 5 FHBDRO C[C@H]1C[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(C)(C)C1 ZINC000472269353 936206289 /nfs/dbraw/zinc/20/62/89/936206289.db2.gz VCCBZBPDCASUDE-GFCCVEGCSA-N 1 0 374.466 3.777 20 5 FHBDRO COc1cccc2c1CC[C@H]2[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000121968786 936223401 /nfs/dbraw/zinc/22/34/01/936223401.db2.gz MVBHWVIWBGGPHS-HXUWFJFHSA-N 1 0 367.449 3.849 20 5 FHBDRO CCOc1cc(C[N@@H+]2CC[C@@H]2Cc2ccc(OC)cc2)ccc1[N+](=O)[O-] ZINC001167636449 936274023 /nfs/dbraw/zinc/27/40/23/936274023.db2.gz SVMCEUOTZSPJET-QGZVFWFLSA-N 1 0 356.422 3.819 20 5 FHBDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000466912734 938275094 /nfs/dbraw/zinc/27/50/94/938275094.db2.gz MZGYIXUQPCIMLZ-KRWDZBQOSA-N 1 0 366.417 3.856 20 5 FHBDRO C[C@H](C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000583787052 938408421 /nfs/dbraw/zinc/40/84/21/938408421.db2.gz YOLLNAGSLIFXNE-RCJHGTSTSA-N 1 0 359.470 3.562 20 5 FHBDRO C[C@@H](CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C[NH+](C)C ZINC000583803555 938419472 /nfs/dbraw/zinc/41/94/72/938419472.db2.gz DOGKGHFYOYYLIJ-AWEZNQCLSA-N 1 0 373.478 3.674 20 5 FHBDRO C[C@H](CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C[NH+](C)C ZINC000583803556 938419526 /nfs/dbraw/zinc/41/95/26/938419526.db2.gz DOGKGHFYOYYLIJ-CQSZACIVSA-N 1 0 373.478 3.674 20 5 FHBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H]1C ZINC000437260266 945174620 /nfs/dbraw/zinc/17/46/20/945174620.db2.gz SXLIOFPPOQULSH-RISCZKNCSA-N 1 0 373.375 3.558 20 5 FHBDRO COc1ccc(CNCc2[nH+]c(C(C)C)n3ccccc23)cc1[N+](=O)[O-] ZINC000573212448 938721921 /nfs/dbraw/zinc/72/19/21/938721921.db2.gz YREYTBWHASOSBM-UHFFFAOYSA-N 1 0 354.410 3.664 20 5 FHBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000584434023 938867978 /nfs/dbraw/zinc/86/79/78/938867978.db2.gz ZYQPNIMPMRFBHG-UHFFFAOYSA-N 1 0 366.437 3.854 20 5 FHBDRO CC1(C)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1[C@@H]1CCCO1 ZINC000289936110 938909313 /nfs/dbraw/zinc/90/93/13/938909313.db2.gz VKYJSOPIIQKAPB-QFBILLFUSA-N 1 0 371.437 3.682 20 5 FHBDRO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000573282384 938968852 /nfs/dbraw/zinc/96/88/52/938968852.db2.gz ICJPVOQQSIPMHK-DNVCBOLYSA-N 1 0 359.470 3.612 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000162236291 938974070 /nfs/dbraw/zinc/97/40/70/938974070.db2.gz CHQOTEVMGGXVLF-MRXNPFEDSA-N 1 0 354.454 3.613 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCOCC(F)(F)F)s2)cc1 ZINC000102425186 939018575 /nfs/dbraw/zinc/01/85/75/939018575.db2.gz MSTFUXBPWKLYIR-UHFFFAOYSA-N 1 0 360.357 3.992 20 5 FHBDRO CC[C@@H](C)[N@H+](C)Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000179323860 939085927 /nfs/dbraw/zinc/08/59/27/939085927.db2.gz KLMAXHOXGDKJEX-SNVBAGLBSA-N 1 0 350.337 3.775 20 5 FHBDRO CSc1cccc(C(=O)N2CCC(CCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000188266304 939126131 /nfs/dbraw/zinc/12/61/31/939126131.db2.gz ZDUMEYFPWNIAJO-UHFFFAOYSA-N 1 0 365.499 3.511 20 5 FHBDRO COc1ccc(C)cc1[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000102692014 939185139 /nfs/dbraw/zinc/18/51/39/939185139.db2.gz AGAACPKZAATLMZ-CQSZACIVSA-N 1 0 357.410 3.510 20 5 FHBDRO O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000511845874 945265956 /nfs/dbraw/zinc/26/59/56/945265956.db2.gz XUFOPIZIRRQYCI-ZHALLVOQSA-N 1 0 365.433 3.801 20 5 FHBDRO CC(C)Oc1ccc([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000179529055 939882223 /nfs/dbraw/zinc/88/22/23/939882223.db2.gz FTFWVRMWYZRKOZ-HNNXBMFYSA-N 1 0 371.437 3.696 20 5 FHBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000614235856 939902170 /nfs/dbraw/zinc/90/21/70/939902170.db2.gz KVMRCZMCQMREOQ-OAHLLOKOSA-N 1 0 368.412 3.996 20 5 FHBDRO Cc1noc([C@H]2CCC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000179712358 939924680 /nfs/dbraw/zinc/92/46/80/939924680.db2.gz SOYNYNGOXJXHHZ-HNNXBMFYSA-N 1 0 368.393 3.926 20 5 FHBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000411140527 940002366 /nfs/dbraw/zinc/00/23/66/940002366.db2.gz XNINBSOKNMMUKT-CQSZACIVSA-N 1 0 357.410 3.625 20 5 FHBDRO COc1ccc(NC(=O)CC[NH2+]C2(c3ccccc3)CCC2)c([N+](=O)[O-])c1 ZINC000411327773 940031488 /nfs/dbraw/zinc/03/14/88/940031488.db2.gz QPYFJVFYVZALRN-UHFFFAOYSA-N 1 0 369.421 3.601 20 5 FHBDRO Cc1cc(C(=O)CN(C)CCc2cccc([N+](=O)[O-])c2)c(C)n1C1CC1 ZINC000548927693 940044785 /nfs/dbraw/zinc/04/47/85/940044785.db2.gz LCOXNVJWCFHZHB-UHFFFAOYSA-N 1 0 355.438 3.705 20 5 FHBDRO CC(C)([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000411469884 940051475 /nfs/dbraw/zinc/05/14/75/940051475.db2.gz BJDQCRKJVKLPSF-UHFFFAOYSA-N 1 0 363.364 3.727 20 5 FHBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)c21 ZINC000612443340 940071486 /nfs/dbraw/zinc/07/14/86/940071486.db2.gz SNWNLVXUQMPTQP-INIZCTEOSA-N 1 0 369.469 3.630 20 5 FHBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC(CCC[NH+]4CCCC4)CC3)c21 ZINC000612448978 940074941 /nfs/dbraw/zinc/07/49/41/940074941.db2.gz ATDGGOCZPWYLBJ-UHFFFAOYSA-N 1 0 369.469 3.630 20 5 FHBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000065936655 940079760 /nfs/dbraw/zinc/07/97/60/940079760.db2.gz PGOMCQKIOGWIQZ-UHFFFAOYSA-N 1 0 367.858 3.514 20 5 FHBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3cccc4ccccc43)CC2)c1 ZINC000472434472 940098012 /nfs/dbraw/zinc/09/80/12/940098012.db2.gz VPCNQECYPJFWIZ-UHFFFAOYSA-N 1 0 350.422 3.824 20 5 FHBDRO CN(c1ccccc1)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000065956275 940106814 /nfs/dbraw/zinc/10/68/14/940106814.db2.gz DALJWLRQDREJIW-UHFFFAOYSA-N 1 0 355.438 3.574 20 5 FHBDRO CCOc1ccccc1NC(=O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000411756665 940113301 /nfs/dbraw/zinc/11/33/01/940113301.db2.gz JONGPXBKECYCST-UHFFFAOYSA-N 1 0 371.437 3.847 20 5 FHBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCSC3(CCC3)CC2)cccc1[N+](=O)[O-] ZINC000411873256 940145731 /nfs/dbraw/zinc/14/57/31/940145731.db2.gz XRXSRIVOEUDMNG-CQSZACIVSA-N 1 0 363.483 3.592 20 5 FHBDRO CC(C)[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccnn1C ZINC000615966829 940151435 /nfs/dbraw/zinc/15/14/35/940151435.db2.gz JMNVCADJRAHWBS-QZTJIDSGSA-N 1 0 356.470 3.679 20 5 FHBDRO C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376033061 940219259 /nfs/dbraw/zinc/21/92/59/940219259.db2.gz BJNBJLYLCISJPL-LBPRGKRZSA-N 1 0 366.368 3.791 20 5 FHBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCC2(O)CCC2)cc1[N+](=O)[O-] ZINC000570266703 940227609 /nfs/dbraw/zinc/22/76/09/940227609.db2.gz FHBNRWVETGCMJP-UHFFFAOYSA-N 1 0 355.438 3.757 20 5 FHBDRO COc1cc(C[N@H+](C)C(C2CC2)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180014954 940248610 /nfs/dbraw/zinc/24/86/10/940248610.db2.gz DCRVADDPAUDRQV-UHFFFAOYSA-N 1 0 370.396 3.868 20 5 FHBDRO C[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1)c1ccc([N+](=O)[O-])cc1F ZINC000612954627 940358099 /nfs/dbraw/zinc/35/80/99/940358099.db2.gz LWJPDURPTUTYMR-ODWCKFRGSA-N 1 0 360.389 3.609 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000177845878 940462592 /nfs/dbraw/zinc/46/25/92/940462592.db2.gz WSZLGFNVSRPFPT-INIZCTEOSA-N 1 0 367.449 3.990 20 5 FHBDRO COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000580577477 940479603 /nfs/dbraw/zinc/47/96/03/940479603.db2.gz YIGDZELLDFVIQC-GDBMZVCRSA-N 1 0 364.442 3.595 20 5 FHBDRO COc1cccc([C@H](C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)N(C)C)c1 ZINC000120112634 940485094 /nfs/dbraw/zinc/48/50/94/940485094.db2.gz HCCOKFGXRXIHMJ-YWZLYKJASA-N 1 0 357.454 3.865 20 5 FHBDRO Cc1ccccc1C[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000160516431 940494092 /nfs/dbraw/zinc/49/40/92/940494092.db2.gz QNYMAIYJFOVRGI-UHFFFAOYSA-N 1 0 350.422 3.936 20 5 FHBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](O)CC2)ccc1Oc1ccc(F)cc1 ZINC000581623602 940508399 /nfs/dbraw/zinc/50/83/99/940508399.db2.gz UIBGLNSMFYFEMS-MRXNPFEDSA-N 1 0 360.385 3.873 20 5 FHBDRO COc1ccc([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])c(C)c1OC ZINC000581744259 940511121 /nfs/dbraw/zinc/51/11/21/940511121.db2.gz KUGSATIGJIBBLY-CQSZACIVSA-N 1 0 360.410 3.650 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000581962869 940635507 /nfs/dbraw/zinc/63/55/07/940635507.db2.gz BQMFMFZLYQEQPP-SFHVURJKSA-N 1 0 354.454 3.583 20 5 FHBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000582320442 940665325 /nfs/dbraw/zinc/66/53/25/940665325.db2.gz CWTUXEVHWYMWJV-PBHICJAKSA-N 1 0 373.453 3.711 20 5 FHBDRO C[C@@H](C1CC1)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000582565519 940727186 /nfs/dbraw/zinc/72/71/86/940727186.db2.gz AOXDKAJUXYFZND-INIZCTEOSA-N 1 0 367.449 3.858 20 5 FHBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)ccc1[N+](=O)[O-] ZINC000540911491 940743775 /nfs/dbraw/zinc/74/37/75/940743775.db2.gz BJIVMHFCBGXGRS-ZDUSSCGKSA-N 1 0 369.421 3.803 20 5 FHBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)c1ccccc1 ZINC000170823684 940835823 /nfs/dbraw/zinc/83/58/23/940835823.db2.gz OEGSOUVPINEHMO-AWEZNQCLSA-N 1 0 356.422 3.917 20 5 FHBDRO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000414261514 940849209 /nfs/dbraw/zinc/84/92/09/940849209.db2.gz IECDJKPIXHWRTO-BXUZGUMPSA-N 1 0 356.348 3.596 20 5 FHBDRO Cc1sc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000507607230 945354455 /nfs/dbraw/zinc/35/44/55/945354455.db2.gz RZIXWSSWHAXWKH-DOMZBBRYSA-N 1 0 359.451 3.530 20 5 FHBDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180251595 940876298 /nfs/dbraw/zinc/87/62/98/940876298.db2.gz ZBTRWSLCEILTBM-FOIQADDNSA-N 1 0 355.438 3.579 20 5 FHBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000376389556 940899178 /nfs/dbraw/zinc/89/91/78/940899178.db2.gz XMESOZZRRGCTPB-AWEZNQCLSA-N 1 0 371.462 3.618 20 5 FHBDRO CCCOC1(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CCCCC1 ZINC000582897239 940932897 /nfs/dbraw/zinc/93/28/97/940932897.db2.gz BWJXWILBLKBWDI-UHFFFAOYSA-N 1 0 366.458 3.831 20 5 FHBDRO CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180393372 941003555 /nfs/dbraw/zinc/00/35/55/941003555.db2.gz QNVDRWPZZYSFBA-CRAIPNDOSA-N 1 0 358.438 3.809 20 5 FHBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000180407728 941005767 /nfs/dbraw/zinc/00/57/67/941005767.db2.gz VEFUVCYJAVUMJZ-NSHDSACASA-N 1 0 363.801 3.546 20 5 FHBDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000511507694 941033771 /nfs/dbraw/zinc/03/37/71/941033771.db2.gz QXOIJGQPDCJCQZ-QJWRSFSASA-N 1 0 359.470 3.625 20 5 FHBDRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C12CCCC2 ZINC000472599693 941058649 /nfs/dbraw/zinc/05/86/49/941058649.db2.gz NZPPLCAKJKXUMM-VVLHAWIVSA-N 1 0 362.474 3.602 20 5 FHBDRO O=C(CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000472607939 941084664 /nfs/dbraw/zinc/08/46/64/941084664.db2.gz OAFGGDDRAUTIDD-ROUUACIJSA-N 1 0 367.449 3.924 20 5 FHBDRO C[C@H]([NH2+]CC(=O)NCC1CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000181297377 941120521 /nfs/dbraw/zinc/12/05/21/941120521.db2.gz TZDJSYCVEHPHEX-LBPRGKRZSA-N 1 0 359.451 3.500 20 5 FHBDRO COc1cc(C[NH2+][C@@H](C)[C@@H](C)OC)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000189126353 941146934 /nfs/dbraw/zinc/14/69/34/941146934.db2.gz BOIJVILZZVPGNN-LSDHHAIUSA-N 1 0 374.437 3.695 20 5 FHBDRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000189498476 941159378 /nfs/dbraw/zinc/15/93/78/941159378.db2.gz JBPWMNNWNXGYRK-CABCVRRESA-N 1 0 362.455 3.799 20 5 FHBDRO CC(C)CCSc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000236602049 941220844 /nfs/dbraw/zinc/22/08/44/941220844.db2.gz XPSPPJPIYRGQIT-DZGCQCFKSA-N 1 0 365.499 3.685 20 5 FHBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)c1 ZINC000181445356 941260389 /nfs/dbraw/zinc/26/03/89/941260389.db2.gz PQXDPDDEGUBXHB-IBGZPJMESA-N 1 0 372.375 3.643 20 5 FHBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311465243 941300735 /nfs/dbraw/zinc/30/07/35/941300735.db2.gz MYSRKQCZIKBVSM-HNNXBMFYSA-N 1 0 373.840 3.595 20 5 FHBDRO CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311464361 941301769 /nfs/dbraw/zinc/30/17/69/941301769.db2.gz MUGQGEPPJRMSNN-INIZCTEOSA-N 1 0 373.840 3.595 20 5 FHBDRO CC(C)c1ccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000189922186 941303899 /nfs/dbraw/zinc/30/38/99/941303899.db2.gz CDMXEWUFLYEGHP-MRXNPFEDSA-N 1 0 359.470 3.666 20 5 FHBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cnc(C4CCCC4)s3)CC2)n1 ZINC000376654657 941372588 /nfs/dbraw/zinc/37/25/88/941372588.db2.gz YNFREMDRUMBHDL-UHFFFAOYSA-N 1 0 361.471 3.743 20 5 FHBDRO COc1cc(N2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)ccc1F ZINC000549119335 941399804 /nfs/dbraw/zinc/39/98/04/941399804.db2.gz SDFQZVHFJNYBTM-AWEZNQCLSA-N 1 0 359.401 3.626 20 5 FHBDRO CCC[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000181523991 941424654 /nfs/dbraw/zinc/42/46/54/941424654.db2.gz VDTNVFOIFMKMNX-LSDHHAIUSA-N 1 0 373.375 3.579 20 5 FHBDRO C[C@@H]1CN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000414660873 941429891 /nfs/dbraw/zinc/42/98/91/941429891.db2.gz ORDJCCRZUIDIRE-QAPCUYQASA-N 1 0 354.454 3.532 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000414948943 941524660 /nfs/dbraw/zinc/52/46/60/941524660.db2.gz MXRQDQXRMQCFIA-IPHHBTQASA-N 1 0 373.403 3.622 20 5 FHBDRO [NH3+]CC[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(F)(F)F ZINC000415062351 941579483 /nfs/dbraw/zinc/57/94/83/941579483.db2.gz YJLLUUPNHAAGTM-AWEZNQCLSA-N 1 0 359.373 3.693 20 5 FHBDRO CCc1ccccc1[C@H]([NH3+])CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000415068223 941583738 /nfs/dbraw/zinc/58/37/38/941583738.db2.gz QSRRLYRTCRPABG-MRXNPFEDSA-N 1 0 365.380 3.548 20 5 FHBDRO C[C@](C[NH3+])(NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000415194334 941662566 /nfs/dbraw/zinc/66/25/66/941662566.db2.gz MXTANRIMTLRAIS-LJQANCHMSA-N 1 0 370.409 3.636 20 5 FHBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000415190688 941665077 /nfs/dbraw/zinc/66/50/77/941665077.db2.gz IPXONKVMSJFKEC-KBPBESRZSA-N 1 0 370.409 3.588 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000472761588 941695418 /nfs/dbraw/zinc/69/54/18/941695418.db2.gz GBLUUWCLRDEDRD-MRXNPFEDSA-N 1 0 370.453 3.935 20 5 FHBDRO O=[N+]([O-])c1c(Nc2cccc(C[NH+]3CCSCC3)c2)nc2ccccn21 ZINC000729263852 941704128 /nfs/dbraw/zinc/70/41/28/941704128.db2.gz MEFMPDWVLAVWOE-UHFFFAOYSA-N 1 0 369.450 3.535 20 5 FHBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000729333244 941720744 /nfs/dbraw/zinc/72/07/44/941720744.db2.gz SSKNQOSLUKMTRO-JLHYYAGUSA-N 1 0 359.470 3.579 20 5 FHBDRO Cc1c(NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000472767652 941721555 /nfs/dbraw/zinc/72/15/55/941721555.db2.gz WFMNVWKMQFDILM-HNNXBMFYSA-N 1 0 370.453 3.935 20 5 FHBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415293206 941734128 /nfs/dbraw/zinc/73/41/28/941734128.db2.gz IOXBFTPXVUVOFV-MRXNPFEDSA-N 1 0 356.426 3.596 20 5 FHBDRO CCC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCCO1 ZINC000093132319 941753815 /nfs/dbraw/zinc/75/38/15/941753815.db2.gz ZEPJURZQKYOQSS-IBGZPJMESA-N 1 0 372.469 3.776 20 5 FHBDRO CC(C)c1nnc([C@H]2CC23CC[NH+](Cc2ccccc2[N+](=O)[O-])CC3)o1 ZINC000377617025 941846568 /nfs/dbraw/zinc/84/65/68/941846568.db2.gz VQADHBVBYIYBRV-OAHLLOKOSA-N 1 0 356.426 3.871 20 5 FHBDRO COc1ccc(OC)c(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)c1 ZINC000541173446 941995235 /nfs/dbraw/zinc/99/52/35/941995235.db2.gz PHEPIQUMADMWCR-UHFFFAOYSA-N 1 0 353.378 3.503 20 5 FHBDRO Cc1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000182929714 942008668 /nfs/dbraw/zinc/00/86/68/942008668.db2.gz XAJJOZPHXUGESF-GJZGRUSLSA-N 1 0 360.458 3.678 20 5 FHBDRO Cc1ccc([C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)[NH+]2CCCC2)o1 ZINC000101735423 942012060 /nfs/dbraw/zinc/01/20/60/942012060.db2.gz PKRDYHCDWPXZPL-QGZVFWFLSA-N 1 0 372.425 3.763 20 5 FHBDRO O=C(CC[NH2+][C@H]1CCc2cc(Cl)ccc21)Nc1ccccc1[N+](=O)[O-] ZINC000584541362 942070651 /nfs/dbraw/zinc/07/06/51/942070651.db2.gz FGRMIPXZTAPLKR-HNNXBMFYSA-N 1 0 359.813 3.854 20 5 FHBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412311544 942149150 /nfs/dbraw/zinc/14/91/50/942149150.db2.gz OAVCZVYXAAEGQA-SLFFLAALSA-N 1 0 371.481 3.612 20 5 FHBDRO Cc1sc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1[N+](=O)[O-] ZINC000103093932 942215012 /nfs/dbraw/zinc/21/50/12/942215012.db2.gz VLGSPLDXTGXMQX-HNNXBMFYSA-N 1 0 365.499 3.693 20 5 FHBDRO CO[C@@]1(C)CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000280636413 942224250 /nfs/dbraw/zinc/22/42/50/942224250.db2.gz XUCHGMNWIOCNKL-IBGZPJMESA-N 1 0 359.426 3.683 20 5 FHBDRO C[NH2+]Cc1ccc(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000415986602 942228706 /nfs/dbraw/zinc/22/87/06/942228706.db2.gz VBMXIELQPPELPY-QGZVFWFLSA-N 1 0 368.437 3.726 20 5 FHBDRO C[NH2+]Cc1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000415986614 942229016 /nfs/dbraw/zinc/22/90/16/942229016.db2.gz VCRCVLRPBKRJRC-UHFFFAOYSA-N 1 0 354.410 3.511 20 5 FHBDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000237008751 942235783 /nfs/dbraw/zinc/23/57/83/942235783.db2.gz ONLWSICZWSPSEJ-ORAYPTAESA-N 1 0 362.426 3.750 20 5 FHBDRO CCC1(CC)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000501030063 942261955 /nfs/dbraw/zinc/26/19/55/942261955.db2.gz UACLJUIUGWHEJI-UHFFFAOYSA-N 1 0 351.472 3.531 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420938957 942264563 /nfs/dbraw/zinc/26/45/63/942264563.db2.gz BGOOVAHRQPNEPB-ZDUSSCGKSA-N 1 0 373.375 3.896 20 5 FHBDRO O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000416017751 942266574 /nfs/dbraw/zinc/26/65/74/942266574.db2.gz VTEUODXFCVDUQI-INIZCTEOSA-N 1 0 366.421 3.610 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420955620 942275325 /nfs/dbraw/zinc/27/53/25/942275325.db2.gz WRGAUXNDMODLAX-ZDUSSCGKSA-N 1 0 373.375 3.896 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000420990151 942293035 /nfs/dbraw/zinc/29/30/35/942293035.db2.gz DQCZQVCLWHKAOS-MRXNPFEDSA-N 1 0 363.364 3.828 20 5 FHBDRO O=C(CC[NH2+][C@H](CC(F)F)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000420992957 942294126 /nfs/dbraw/zinc/29/41/26/942294126.db2.gz LLYMYHGGSLHYGV-OAHLLOKOSA-N 1 0 363.364 3.910 20 5 FHBDRO Cc1ccc(C)n1C1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000501102428 942308491 /nfs/dbraw/zinc/30/84/91/942308491.db2.gz RXRGLQSVFKJAAF-UHFFFAOYSA-N 1 0 370.453 3.679 20 5 FHBDRO CCC[N@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)CC(C)(C)O ZINC000513707506 942318018 /nfs/dbraw/zinc/31/80/18/942318018.db2.gz DOTFMKFISDDJAK-UHFFFAOYSA-N 1 0 362.426 3.846 20 5 FHBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188075450 942327000 /nfs/dbraw/zinc/32/70/00/942327000.db2.gz MUODZACKFMNHDE-CYBMUJFWSA-N 1 0 353.488 3.557 20 5 FHBDRO CSc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000188090225 942333896 /nfs/dbraw/zinc/33/38/96/942333896.db2.gz WXHUBDYYUNPXGC-MRXNPFEDSA-N 1 0 373.478 3.658 20 5 FHBDRO Cc1ccc(C[NH+]2CCC(N3CCc4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000502306188 942345649 /nfs/dbraw/zinc/34/56/49/942345649.db2.gz ZQLYGULJULDLDK-UHFFFAOYSA-N 1 0 351.450 3.930 20 5 FHBDRO COc1cc(C)c(C[C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1OC ZINC000502289014 942347354 /nfs/dbraw/zinc/34/73/54/942347354.db2.gz WFGIHOOCVUTBIZ-HNNXBMFYSA-N 1 0 358.438 3.684 20 5 FHBDRO CCCn1nccc1C1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000502317696 942350667 /nfs/dbraw/zinc/35/06/67/942350667.db2.gz GBCKOIYKHNGHRB-UHFFFAOYSA-N 1 0 358.442 3.590 20 5 FHBDRO C[NH+](C)[C@H](CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000416155696 942404824 /nfs/dbraw/zinc/40/48/24/942404824.db2.gz MXQDPEJNRYFLPU-HXUWFJFHSA-N 1 0 369.465 3.727 20 5 FHBDRO CC[C@@H]1C[C@]1([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000502525158 942498854 /nfs/dbraw/zinc/49/88/54/942498854.db2.gz UUYFJDUNFLDRQS-FOIQADDNSA-N 1 0 353.422 3.757 20 5 FHBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000412336325 942501081 /nfs/dbraw/zinc/50/10/81/942501081.db2.gz OUTZBJHDDDJGNL-RNJTYBCJSA-N 1 0 371.437 3.537 20 5 FHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2CC23CCSCC3)c1 ZINC000421354699 942504814 /nfs/dbraw/zinc/50/48/14/942504814.db2.gz SFEIXYZUPYPUNG-GFCCVEGCSA-N 1 0 358.410 3.819 20 5 FHBDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000421365287 942517347 /nfs/dbraw/zinc/51/73/47/942517347.db2.gz BBEOGGDTYUOPQG-DGCLKSJQSA-N 1 0 350.802 3.853 20 5 FHBDRO CSc1ccccc1[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000501532691 942534811 /nfs/dbraw/zinc/53/48/11/942534811.db2.gz HDDXNPZJKUPGKJ-CYBMUJFWSA-N 1 0 359.451 3.996 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000421459350 942581395 /nfs/dbraw/zinc/58/13/95/942581395.db2.gz NCJSKKOFFGFLTL-UHFFFAOYSA-N 1 0 371.437 3.794 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000104701862 942617762 /nfs/dbraw/zinc/61/77/62/942617762.db2.gz HQTQOYBNODFHEN-HXUWFJFHSA-N 1 0 369.421 3.673 20 5 FHBDRO CN(C(=O)C[NH2+][C@H](c1ccc(F)cc1)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000104704234 942618307 /nfs/dbraw/zinc/61/83/07/942618307.db2.gz HAXNYPUDLGFUPS-FQEVSTJZSA-N 1 0 371.412 3.828 20 5 FHBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(NC(N)=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000278971708 942632425 /nfs/dbraw/zinc/63/24/25/942632425.db2.gz CCEGSGJGOVFGAO-QGZVFWFLSA-N 1 0 354.410 3.598 20 5 FHBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000501758454 942661897 /nfs/dbraw/zinc/66/18/97/942661897.db2.gz YFKMFJZVKTXITG-CHWSQXEVSA-N 1 0 368.865 3.738 20 5 FHBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000557635415 942672272 /nfs/dbraw/zinc/67/22/72/942672272.db2.gz ZUEXUMVRPSJYQD-UHFFFAOYSA-N 1 0 353.850 3.586 20 5 FHBDRO COc1c(O)ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c1[N+](=O)[O-] ZINC000893223170 942707865 /nfs/dbraw/zinc/70/78/65/942707865.db2.gz XRWIVPQEMKLYBK-RHSMWYFYSA-N 1 0 372.421 3.567 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000181589727 942776549 /nfs/dbraw/zinc/77/65/49/942776549.db2.gz IGPXOWXJCGCEQJ-LBPRGKRZSA-N 1 0 363.364 3.861 20 5 FHBDRO CCOC(=O)CC1([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCCC1 ZINC000434611720 942797048 /nfs/dbraw/zinc/79/70/48/942797048.db2.gz JZJNXRLANNVHLX-UHFFFAOYSA-N 1 0 373.409 3.605 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000421761137 942802531 /nfs/dbraw/zinc/80/25/31/942802531.db2.gz YWXUJFUZPKBPJJ-SFHVURJKSA-N 1 0 373.497 3.796 20 5 FHBDRO COCCC[NH+]1CCC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000514201307 942810897 /nfs/dbraw/zinc/81/08/97/942810897.db2.gz DTLMJERWUIRIII-UHFFFAOYSA-N 1 0 361.364 3.526 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC2(C[C@@H]2C(=O)N2CCCC2)CC1 ZINC000378501878 942831995 /nfs/dbraw/zinc/83/19/95/942831995.db2.gz ZUWCKJFFSJEGLD-QFBILLFUSA-N 1 0 371.481 3.689 20 5 FHBDRO COc1ccc([C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C2CC2)c(F)c1 ZINC000421827652 942835412 /nfs/dbraw/zinc/83/54/12/942835412.db2.gz YSWISCHBROMCTC-IBGZPJMESA-N 1 0 360.385 3.992 20 5 FHBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000412379075 942863926 /nfs/dbraw/zinc/86/39/26/942863926.db2.gz NJKIZGFDRJPJOD-ZCNNSNEGSA-N 1 0 365.433 3.886 20 5 FHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000434733738 942900749 /nfs/dbraw/zinc/90/07/49/942900749.db2.gz CVOBMNWWNQFKRI-KNBMTAEXSA-N 1 0 354.454 3.676 20 5 FHBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCCC2)n1 ZINC000505502961 942922048 /nfs/dbraw/zinc/92/20/48/942922048.db2.gz JBZJONWQUKOTCY-UHFFFAOYSA-N 1 0 368.359 3.869 20 5 FHBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000510012527 942926111 /nfs/dbraw/zinc/92/61/11/942926111.db2.gz NLFNBFYRBUVFLZ-UHFFFAOYSA-N 1 0 371.437 3.705 20 5 FHBDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000434892327 943022383 /nfs/dbraw/zinc/02/23/83/943022383.db2.gz QJXMTNJSLLAQLB-CDHQVMDDSA-N 1 0 365.433 3.578 20 5 FHBDRO C[C@]1(CCc2ccccc2)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000434910867 943046135 /nfs/dbraw/zinc/04/61/35/943046135.db2.gz WJVPVQZZZYLENP-NRFANRHFSA-N 1 0 367.449 3.539 20 5 FHBDRO Cc1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c2ccccc2n1 ZINC000505571414 943050114 /nfs/dbraw/zinc/05/01/14/943050114.db2.gz ZFNPPDHJLMHWSA-UHFFFAOYSA-N 1 0 362.433 3.774 20 5 FHBDRO C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000505574830 943062914 /nfs/dbraw/zinc/06/29/14/943062914.db2.gz LUULZZUTCKPPDD-DNVCBOLYSA-N 1 0 369.465 3.680 20 5 FHBDRO COc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000312298644 943121237 /nfs/dbraw/zinc/12/12/37/943121237.db2.gz NGPRZZAERKTZGE-GOEBONIOSA-N 1 0 371.437 3.687 20 5 FHBDRO C[C@H]1C[C@@]1([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000503368735 943143514 /nfs/dbraw/zinc/14/35/14/943143514.db2.gz NVMHDBRYOQQMED-DJJJIMSYSA-N 1 0 373.840 3.736 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000503399846 943162018 /nfs/dbraw/zinc/16/20/18/943162018.db2.gz WIEIMCQSWXJRKR-UHFFFAOYSA-N 1 0 374.466 3.806 20 5 FHBDRO O=[N+]([O-])c1cccc2c1ccn2C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000514635227 943166658 /nfs/dbraw/zinc/16/66/58/943166658.db2.gz NENOWJUAICTHQJ-GOSISDBHSA-N 1 0 365.433 3.841 20 5 FHBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000417140082 943367473 /nfs/dbraw/zinc/36/74/73/943367473.db2.gz PHEFYBFZJPNJSO-AUUYWEPGSA-N 1 0 370.453 3.778 20 5 FHBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000417140084 943367747 /nfs/dbraw/zinc/36/77/47/943367747.db2.gz PHEFYBFZJPNJSO-KUHUBIRLSA-N 1 0 370.453 3.778 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]CC[C@H]3CCCCO3)o2)c([N+](=O)[O-])c1 ZINC000503929402 943421025 /nfs/dbraw/zinc/42/10/25/943421025.db2.gz QOEYZYXYKAXZPD-CQSZACIVSA-N 1 0 360.410 3.912 20 5 FHBDRO CC(C)[C@H](C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H](C)[NH3+] ZINC000423217172 943446499 /nfs/dbraw/zinc/44/64/99/943446499.db2.gz TUPICGJVPAMDLD-UGSOOPFHSA-N 1 0 357.410 3.945 20 5 FHBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000423337698 943483616 /nfs/dbraw/zinc/48/36/16/943483616.db2.gz RIWCJSACRXWAAR-XPGWFJOJSA-N 1 0 369.465 3.708 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1cnc(C3CC3)nc1)CCCC2 ZINC000417308943 943507148 /nfs/dbraw/zinc/50/71/48/943507148.db2.gz IJSFBRGIDPJEMF-LJQANCHMSA-N 1 0 352.438 3.862 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)CCCC2 ZINC000417322081 943514714 /nfs/dbraw/zinc/51/47/14/943514714.db2.gz MNKBKYBBTJDHLY-SUMWQHHRSA-N 1 0 371.403 3.836 20 5 FHBDRO O=C([C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1)N1CCCCC1 ZINC000435736223 943589378 /nfs/dbraw/zinc/58/93/78/943589378.db2.gz VETXPXOYUZRBAO-HIFRSBDPSA-N 1 0 365.861 3.519 20 5 FHBDRO CC(C)CCSc1ccc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423949260 943654131 /nfs/dbraw/zinc/65/41/31/943654131.db2.gz LTKXZSNIPCOBQR-INIZCTEOSA-N 1 0 365.499 3.542 20 5 FHBDRO [NH3+]C[C@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000584837856 943743916 /nfs/dbraw/zinc/74/39/16/943743916.db2.gz AFWDGCAITLCYFM-CQSZACIVSA-N 1 0 371.462 3.557 20 5 FHBDRO CC(C)NC(=O)CC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000133783429 943761353 /nfs/dbraw/zinc/76/13/53/943761353.db2.gz SPUNLGVCUMXSOF-CYBMUJFWSA-N 1 0 361.467 3.889 20 5 FHBDRO C[NH+](C)CCCOc1cnccc1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000516889146 943798282 /nfs/dbraw/zinc/79/82/82/943798282.db2.gz WVIMWQHVIPAPNK-UHFFFAOYSA-N 1 0 364.833 3.586 20 5 FHBDRO CC(C)(C)c1ccc(CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000516942157 943834829 /nfs/dbraw/zinc/83/48/29/943834829.db2.gz CUJKYUOAVDEFOQ-UHFFFAOYSA-N 1 0 356.470 3.968 20 5 FHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@]1(F)c1ccccc1 ZINC000424319101 943842409 /nfs/dbraw/zinc/84/24/09/943842409.db2.gz DPSIYWTZXQGTBS-FMEYXAORSA-N 1 0 357.385 3.539 20 5 FHBDRO [NH3+]C1(c2noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)CCCCC1 ZINC000424340361 943871470 /nfs/dbraw/zinc/87/14/70/943871470.db2.gz GLKXXCKWCYXRAX-UHFFFAOYSA-N 1 0 356.304 3.782 20 5 FHBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C ZINC000425422342 943880597 /nfs/dbraw/zinc/88/05/97/943880597.db2.gz NASWEWKOUNNZGK-IUODEOHRSA-N 1 0 370.291 3.662 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn2ccsc2n1 ZINC000504896233 943894980 /nfs/dbraw/zinc/89/49/80/943894980.db2.gz XJVDARKJFHQSMF-LBPRGKRZSA-N 1 0 362.480 3.965 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]CCc2cc(OC)ccc2OC)cc1[N+](=O)[O-] ZINC000504911592 943907868 /nfs/dbraw/zinc/90/78/68/943907868.db2.gz ISCOORGTFWTXAT-AWEZNQCLSA-N 1 0 374.437 3.904 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]CCN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000504931556 943928099 /nfs/dbraw/zinc/92/80/99/943928099.db2.gz ZDZJTEMRLLOSMG-MRXNPFEDSA-N 1 0 357.454 3.776 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccccc2OCc2ccccn2)cc1 ZINC000105448299 943953899 /nfs/dbraw/zinc/95/38/99/943953899.db2.gz HLCJOBDKINTFFY-UHFFFAOYSA-N 1 0 363.417 3.901 20 5 FHBDRO COc1cccc(C[C@H]2CCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000515552708 943988506 /nfs/dbraw/zinc/98/85/06/943988506.db2.gz WIHXDDNYWDGVAW-QGZVFWFLSA-N 1 0 356.422 3.689 20 5 FHBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500098344 944094234 /nfs/dbraw/zinc/09/42/34/944094234.db2.gz LMEIFHXOYKPBDE-KRWDZBQOSA-N 1 0 355.438 3.877 20 5 FHBDRO CCS[C@H]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000500116438 944124449 /nfs/dbraw/zinc/12/44/49/944124449.db2.gz OCYKLPUKLDXYNB-KGLIPLIRSA-N 1 0 351.472 3.529 20 5 FHBDRO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000382118478 944180800 /nfs/dbraw/zinc/18/08/00/944180800.db2.gz WHPUQBONQMIPHN-SCLBCKFNSA-N 1 0 373.840 3.641 20 5 FHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000436299320 944184038 /nfs/dbraw/zinc/18/40/38/944184038.db2.gz JLDYHNPSQITDOU-ZVZYQTTQSA-N 1 0 353.422 3.848 20 5 FHBDRO Nc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414917757 944213192 /nfs/dbraw/zinc/21/31/92/944213192.db2.gz RFNHTGGSGNMSGY-INIZCTEOSA-N 1 0 363.364 3.946 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000438999110 944255533 /nfs/dbraw/zinc/25/55/33/944255533.db2.gz LNPPODSVBBEYLJ-FZDIXFNVSA-N 1 0 362.470 3.755 20 5 FHBDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000515847023 944270844 /nfs/dbraw/zinc/27/08/44/944270844.db2.gz RMQUJRSQGJRILQ-CRAIPNDOSA-N 1 0 364.490 3.712 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000506474080 944300562 /nfs/dbraw/zinc/30/05/62/944300562.db2.gz LAXOAUKUYWJTCY-MSOLQXFVSA-N 1 0 361.486 3.560 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)Cc3ccc(F)cc3)o2)cc1 ZINC000500241402 944325577 /nfs/dbraw/zinc/32/55/77/944325577.db2.gz HLXJOHILTFKWHY-KRWDZBQOSA-N 1 0 370.380 3.687 20 5 FHBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC4(CCC4)[C@H]3C3CCOCC3)nc2c1 ZINC000425558223 944337919 /nfs/dbraw/zinc/33/79/19/944337919.db2.gz XJQFGISEOSIIIL-GOSISDBHSA-N 1 0 357.410 3.517 20 5 FHBDRO COc1ccc([C@H]2CC[N@H+](Cc3cc(OC)c(F)cc3[N+](=O)[O-])C2)cc1 ZINC000184259172 944355192 /nfs/dbraw/zinc/35/51/92/944355192.db2.gz UKGMASHPZDJGSU-AWEZNQCLSA-N 1 0 360.385 3.741 20 5 FHBDRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CC3 ZINC000123402695 944356803 /nfs/dbraw/zinc/35/68/03/944356803.db2.gz IBGBTJDRRODOKN-AWEZNQCLSA-N 1 0 351.406 3.732 20 5 FHBDRO CC1CC[NH+]([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000515981465 944394140 /nfs/dbraw/zinc/39/41/40/944394140.db2.gz VVLOBCAIEOWNQJ-FQEVSTJZSA-N 1 0 367.449 3.798 20 5 FHBDRO COC(=O)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000425962409 944417282 /nfs/dbraw/zinc/41/72/82/944417282.db2.gz YCNSRVGVYBHMPR-UHFFFAOYSA-N 1 0 368.311 3.690 20 5 FHBDRO Cc1cccc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000506191650 944430913 /nfs/dbraw/zinc/43/09/13/944430913.db2.gz QUFHFMLFWQBCON-UHFFFAOYSA-N 1 0 350.422 3.936 20 5 FHBDRO Cn1c2ccccc2cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1=O ZINC000426314130 944441740 /nfs/dbraw/zinc/44/17/40/944441740.db2.gz WKJJNGAYIFITGR-IBGZPJMESA-N 1 0 363.417 3.614 20 5 FHBDRO Cc1ccc2[nH]c(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2c1C ZINC000425968191 944444546 /nfs/dbraw/zinc/44/45/46/944444546.db2.gz QYXPAFMDVMCYOX-UHFFFAOYSA-N 1 0 353.426 3.727 20 5 FHBDRO COc1ccc2ccccc2c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425981421 944508646 /nfs/dbraw/zinc/50/86/46/944508646.db2.gz NQCDIMXINMDINP-UHFFFAOYSA-N 1 0 366.421 3.790 20 5 FHBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000438325624 944510174 /nfs/dbraw/zinc/51/01/74/944510174.db2.gz NJSJBNMBPPUNFI-HXUWFJFHSA-N 1 0 369.465 3.956 20 5 FHBDRO CC1(C)CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000729469293 944517846 /nfs/dbraw/zinc/51/78/46/944517846.db2.gz CHOZDUNGONOMLE-UHFFFAOYSA-N 1 0 370.409 3.604 20 5 FHBDRO C[C@H]1C[C@H](c2ccccc2)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000439315545 944521820 /nfs/dbraw/zinc/52/18/20/944521820.db2.gz JKCJOVRDEKBADC-DOTOQJQBSA-N 1 0 353.422 3.801 20 5 FHBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@@H](COc4ccccc4)C3)nc2c1 ZINC000505875342 944580768 /nfs/dbraw/zinc/58/07/68/944580768.db2.gz VILNLLFEKXMPMV-CQSZACIVSA-N 1 0 353.378 3.637 20 5 FHBDRO C[C@@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000517796724 944622952 /nfs/dbraw/zinc/62/29/52/944622952.db2.gz QLQPKNCEVOLXDR-MRXNPFEDSA-N 1 0 367.449 3.975 20 5 FHBDRO CSc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000439481944 944681783 /nfs/dbraw/zinc/68/17/83/944681783.db2.gz OUGXCCZYODMLJZ-CYBMUJFWSA-N 1 0 359.451 3.996 20 5 FHBDRO CC[N@@H+]1CCC[C@@H](CN(C)c2cccc(C)c2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000509606759 944754376 /nfs/dbraw/zinc/75/43/76/944754376.db2.gz CRPNVLRFVTVYAK-OXJNMPFZSA-N 1 0 371.485 3.546 20 5 FHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000053749552 944853025 /nfs/dbraw/zinc/85/30/25/944853025.db2.gz AFFOJSCNKWILQL-YOEHRIQHSA-N 1 0 354.410 3.552 20 5 FHBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000500426355 944876380 /nfs/dbraw/zinc/87/63/80/944876380.db2.gz VVRKCAKPQWQDAD-QGZVFWFLSA-N 1 0 374.485 3.507 20 5 FHBDRO CCN1CCCC[C@H]1C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000518981178 945004726 /nfs/dbraw/zinc/00/47/26/945004726.db2.gz NAZAZSZTOHKNHX-HNNXBMFYSA-N 1 0 373.453 3.827 20 5 FHBDRO O=[N+]([O-])c1cccc(CN(Cc2cnn(CC(F)(F)F)c2)C2CC2)c1 ZINC000507173477 945021882 /nfs/dbraw/zinc/02/18/82/945021882.db2.gz NDEJACUNMSVGBU-UHFFFAOYSA-N 1 0 354.332 3.518 20 5 FHBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(C)cc1 ZINC000181710270 945377863 /nfs/dbraw/zinc/37/78/63/945377863.db2.gz KWVBYUMRQLDARC-KRWDZBQOSA-N 1 0 371.437 3.981 20 5 FHBDRO CC[C@@H](C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000519488683 945460998 /nfs/dbraw/zinc/46/09/98/945460998.db2.gz RXCNQWVYMHQSPN-QAPCUYQASA-N 1 0 355.438 3.683 20 5 FHBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000280940622 945470243 /nfs/dbraw/zinc/47/02/43/945470243.db2.gz JFROTLXRAWQYGX-CQSZACIVSA-N 1 0 365.861 3.775 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000107071805 945480014 /nfs/dbraw/zinc/48/00/14/945480014.db2.gz OYAGAJWLVGMTJW-LSDHHAIUSA-N 1 0 371.437 3.898 20 5 FHBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)o1 ZINC000473619731 945581210 /nfs/dbraw/zinc/58/12/10/945581210.db2.gz RQYVAFJYYNUJBK-UHFFFAOYSA-N 1 0 373.453 3.824 20 5 FHBDRO CC[NH+]1CCC(N(C)Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000125245644 945690207 /nfs/dbraw/zinc/69/02/07/945690207.db2.gz FJZDBOBPYDUVPT-UHFFFAOYSA-N 1 0 373.453 3.780 20 5 FHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2CCC(C)CC2)c1 ZINC000107598247 945733557 /nfs/dbraw/zinc/73/35/57/945733557.db2.gz FSQYGIZSUXGMQS-UHFFFAOYSA-N 1 0 365.499 3.559 20 5 FHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000107602196 945736379 /nfs/dbraw/zinc/73/63/79/945736379.db2.gz LZPVKOPYOUIEEV-AWEZNQCLSA-N 1 0 365.499 3.701 20 5 FHBDRO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000549535363 945823600 /nfs/dbraw/zinc/82/36/00/945823600.db2.gz FDXZJUBZFPCPHZ-IQUTYRLHSA-N 1 0 371.412 3.747 20 5 FHBDRO C[NH+](C)Cc1ccc(-c2noc(/C=C\c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000546244923 945834113 /nfs/dbraw/zinc/83/41/13/945834113.db2.gz DQVBFOMDFDJEGW-GHXNOFRVSA-N 1 0 350.378 3.877 20 5 FHBDRO C[N@H+](CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CCCCC1 ZINC000519995771 945993019 /nfs/dbraw/zinc/99/30/19/945993019.db2.gz OEBMLHNEQCQOIO-UHFFFAOYSA-N 1 0 361.467 3.804 20 5 FHBDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000522878096 946050651 /nfs/dbraw/zinc/05/06/51/946050651.db2.gz RTWWSWUEODYKKI-KRWDZBQOSA-N 1 0 373.840 3.643 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)o2)c1 ZINC000121239926 946102257 /nfs/dbraw/zinc/10/22/57/946102257.db2.gz PPTRQCPRLZYJEV-HNNXBMFYSA-N 1 0 352.394 3.958 20 5 FHBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000045959999 946264208 /nfs/dbraw/zinc/26/42/08/946264208.db2.gz QZGYHCQIBRJPLD-ZDUSSCGKSA-N 1 0 368.865 3.882 20 5 FHBDRO Cc1sc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000109504137 946311439 /nfs/dbraw/zinc/31/14/39/946311439.db2.gz UNEDCWHJYKEGPB-KRWDZBQOSA-N 1 0 373.478 3.840 20 5 FHBDRO CSc1cccc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000186485357 946396240 /nfs/dbraw/zinc/39/62/40/946396240.db2.gz BLUOLLWYMMSNGP-AWEZNQCLSA-N 1 0 373.478 3.567 20 5 FHBDRO CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000052968310 946462299 /nfs/dbraw/zinc/46/22/99/946462299.db2.gz SPHHXEVTYUGKAY-UHFFFAOYSA-N 1 0 361.829 3.751 20 5 FHBDRO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000475153460 946511491 /nfs/dbraw/zinc/51/14/91/946511491.db2.gz NPUSKXHSNLTCBJ-AAEUAGOBSA-N 1 0 358.385 3.916 20 5 FHBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000475153461 946511802 /nfs/dbraw/zinc/51/18/02/946511802.db2.gz NPUSKXHSNLTCBJ-DGCLKSJQSA-N 1 0 358.385 3.916 20 5 FHBDRO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)n1 ZINC000897044431 946517301 /nfs/dbraw/zinc/51/73/01/946517301.db2.gz OLVXGVLSCIBRFE-NWDGAFQWSA-N 1 0 350.806 3.620 20 5 FHBDRO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000897040113 946530584 /nfs/dbraw/zinc/53/05/84/946530584.db2.gz FSSKAPQKDXRTAH-GWCFXTLKSA-N 1 0 350.806 3.620 20 5 FHBDRO CC[C@@H](NC(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000129510138 946585732 /nfs/dbraw/zinc/58/57/32/946585732.db2.gz UBBQBIXIRMBKMY-HNAYVOBHSA-N 1 0 374.485 3.704 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000475544091 946630024 /nfs/dbraw/zinc/63/00/24/946630024.db2.gz FJGGFWSNEHKVOZ-UHFFFAOYSA-N 1 0 362.474 3.797 20 5 FHBDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051377076 946690852 /nfs/dbraw/zinc/69/08/52/946690852.db2.gz FJJHRIIHCDKLNF-UHFFFAOYSA-N 1 0 360.410 3.643 20 5 FHBDRO CC[C@H](C)[C@@H](C)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000112600073 946917952 /nfs/dbraw/zinc/91/79/52/946917952.db2.gz MZIKSXRJCUJWAU-UONOGXRCSA-N 1 0 363.458 3.831 20 5 FHBDRO Cc1cc(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000487386272 946919641 /nfs/dbraw/zinc/91/96/41/946919641.db2.gz GLKKGAOOGVUPJV-WMZOPIPTSA-N 1 0 367.449 3.544 20 5 FHBDRO CCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000475356202 946937062 /nfs/dbraw/zinc/93/70/62/946937062.db2.gz SEDSLKGWPGXTKI-IAGOWNOFSA-N 1 0 364.490 3.668 20 5 FHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@H](CCO)c1ccccc1 ZINC000441429577 947089767 /nfs/dbraw/zinc/08/97/67/947089767.db2.gz OHQYSPNOAXSJQE-LJQANCHMSA-N 1 0 358.438 3.938 20 5 FHBDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444674864 947099380 /nfs/dbraw/zinc/09/93/80/947099380.db2.gz LYLWCWILYDLRIS-BBATYDOGSA-N 1 0 374.828 3.990 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)nc2c1 ZINC000444689786 947113571 /nfs/dbraw/zinc/11/35/71/947113571.db2.gz PGAMTSYEWTVBGW-KDOFPFPSSA-N 1 0 366.421 3.729 20 5 FHBDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000441431945 947157393 /nfs/dbraw/zinc/15/73/93/947157393.db2.gz DSQNGUYJOCXXCJ-HXUWFJFHSA-N 1 0 355.438 3.877 20 5 FHBDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c2ccc(F)cc2C1 ZINC000184527838 947298015 /nfs/dbraw/zinc/29/80/15/947298015.db2.gz BQBCCKHPRKHMTJ-RNODOKPDSA-N 1 0 371.412 3.878 20 5 FHBDRO CSc1ccccc1[C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000440634183 947458045 /nfs/dbraw/zinc/45/80/45/947458045.db2.gz HDDXNPZJKUPGKJ-ZDUSSCGKSA-N 1 0 359.451 3.996 20 5 FHBDRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000523701378 947526895 /nfs/dbraw/zinc/52/68/95/947526895.db2.gz NWTWZYMYVRPRID-IBGZPJMESA-N 1 0 356.422 3.992 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(Oc3ccc(F)cc3F)CC2)cc1 ZINC000523702124 947528048 /nfs/dbraw/zinc/52/80/48/947528048.db2.gz QLQDXOVBMZOZCD-UHFFFAOYSA-N 1 0 362.376 3.959 20 5 FHBDRO COc1ccc(OCC[N@@H+]2CC[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000441459193 947571469 /nfs/dbraw/zinc/57/14/69/947571469.db2.gz AFLLNBUVJWXPIK-QGZVFWFLSA-N 1 0 356.422 3.547 20 5 FHBDRO CC[N@H+](CCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C1CC1 ZINC000523894341 947697843 /nfs/dbraw/zinc/69/78/43/947697843.db2.gz YZPBETUYGVKOCM-UHFFFAOYSA-N 1 0 368.437 3.553 20 5 FHBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCCCC3)CCOCC2)c2ncccc12 ZINC000081001137 948107584 /nfs/dbraw/zinc/10/75/84/948107584.db2.gz WVOREFPDQOUWKE-UHFFFAOYSA-N 1 0 370.453 3.590 20 5 FHBDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000485008709 948190223 /nfs/dbraw/zinc/19/02/23/948190223.db2.gz NLZLCJWQGQVTPT-HOCLYGCPSA-N 1 0 370.405 3.740 20 5 FHBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCC2CC(O)C2)cc1[N+](=O)[O-] ZINC000432351483 948195925 /nfs/dbraw/zinc/19/59/25/948195925.db2.gz NIRHZFQFXHCEDF-UHFFFAOYSA-N 1 0 355.438 3.613 20 5 FHBDRO Cc1nc2scc(C3CC3)n2c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000432366315 948231292 /nfs/dbraw/zinc/23/12/92/948231292.db2.gz ABDJEFJJGZAFDL-UHFFFAOYSA-N 1 0 356.451 3.822 20 5 FHBDRO COc1ccc([C@@H](C[NH+](C)C)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000585744636 948249550 /nfs/dbraw/zinc/24/95/50/948249550.db2.gz VNMKCBDPQVAZDE-GOSISDBHSA-N 1 0 363.845 3.649 20 5 FHBDRO C[C@@H](c1noc(-c2ccccc2)n1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000585753967 948264134 /nfs/dbraw/zinc/26/41/34/948264134.db2.gz XBTMWWFTYPUMIA-AWEZNQCLSA-N 1 0 352.394 3.880 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)cc1[N+](=O)[O-] ZINC000585765586 948277118 /nfs/dbraw/zinc/27/71/18/948277118.db2.gz XJJLRCNQVMBNNT-CYBMUJFWSA-N 1 0 354.410 3.763 20 5 FHBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1c[nH]c2ccccc12 ZINC000190454877 948314489 /nfs/dbraw/zinc/31/44/89/948314489.db2.gz FKXXEPANTWNZPG-UHFFFAOYSA-N 1 0 366.421 3.845 20 5 FHBDRO COc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c(OC)c1OC ZINC000164560865 948339490 /nfs/dbraw/zinc/33/94/90/948339490.db2.gz CIDJETBALMWYSK-ZDUSSCGKSA-N 1 0 360.410 3.780 20 5 FHBDRO CCCC[NH+]1CCC(NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000184776874 948427239 /nfs/dbraw/zinc/42/72/39/948427239.db2.gz IDYHTNOWZAXWKZ-KRWDZBQOSA-N 1 0 361.486 3.544 20 5 FHBDRO CN(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000129589652 948607081 /nfs/dbraw/zinc/60/70/81/948607081.db2.gz NCIFEIMMWYSBGK-HHXXYDBFSA-N 1 0 357.454 3.792 20 5 FHBDRO CC1(C)C[C@H]([NH2+][C@H]2CCO[C@]3(CCSC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000279209415 948618958 /nfs/dbraw/zinc/61/89/58/948618958.db2.gz XZIKERXGXWFGTM-SOVGHPHASA-N 1 0 362.495 3.962 20 5 FHBDRO CCc1cc(NC2CC[NH+](C3CC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053555736 221047176 /nfs/dbraw/zinc/04/71/76/221047176.db2.gz UGLNCFIPRVTCKH-UHFFFAOYSA-N 1 0 367.453 3.653 20 5 FHBDRO Cc1cccc(C[NH+]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)c1 ZINC000108099828 132242841 /nfs/dbraw/zinc/24/28/41/132242841.db2.gz VOBAZVKYRKYERH-UHFFFAOYSA-N 1 0 362.433 3.774 20 5 FHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000481406689 567904055 /nfs/dbraw/zinc/90/40/55/567904055.db2.gz PLJGDRPEMVINMY-ZDUSSCGKSA-N 1 0 361.829 3.798 20 5 FHBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000541834962 567955207 /nfs/dbraw/zinc/95/52/07/567955207.db2.gz UYBFNPXBIYHCQL-CYBMUJFWSA-N 1 0 366.437 3.756 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1noc2c1CCCC2 ZINC000568446987 568039084 /nfs/dbraw/zinc/03/90/84/568039084.db2.gz XLOUPARTFQRBFB-WMLDXEAASA-N 1 0 355.438 3.963 20 5 FHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CCN(CCC(F)(F)F)CC2)c1 ZINC000291160032 568067220 /nfs/dbraw/zinc/06/72/20/568067220.db2.gz MABCYGFYILMCAT-UHFFFAOYSA-N 1 0 365.783 3.755 20 5 FHBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000568675639 568120026 /nfs/dbraw/zinc/12/00/26/568120026.db2.gz QTJGJGLMIFQWCF-HNNXBMFYSA-N 1 0 365.499 3.700 20 5 FHBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000481802257 568127338 /nfs/dbraw/zinc/12/73/38/568127338.db2.gz XCCNCXZEXYZGGW-CQSZACIVSA-N 1 0 373.478 3.818 20 5 FHBDRO [NH3+]CCN(Cc1csc(-c2cccs2)n1)c1ccccc1[N+](=O)[O-] ZINC000568696698 568127428 /nfs/dbraw/zinc/12/74/28/568127428.db2.gz RECDKZWNWLBHRF-UHFFFAOYSA-N 1 0 360.464 3.745 20 5 FHBDRO CCCc1cccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 ZINC000481888355 568153477 /nfs/dbraw/zinc/15/34/77/568153477.db2.gz FLWYJDIMZHJPQC-UHFFFAOYSA-N 1 0 373.478 3.567 20 5 FHBDRO C[C@@H](C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000568942304 568256389 /nfs/dbraw/zinc/25/63/89/568256389.db2.gz RHMIUAFFFILDEX-OWCLPIDISA-N 1 0 361.486 3.571 20 5 FHBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000569155858 568300119 /nfs/dbraw/zinc/30/01/19/568300119.db2.gz MITYEKJPTBALHD-KBXCAEBGSA-N 1 0 372.494 3.777 20 5 FHBDRO C[C@H]1[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000291770469 568304541 /nfs/dbraw/zinc/30/45/41/568304541.db2.gz MOYCIVSTPBPCLJ-XJKSGUPXSA-N 1 0 373.840 3.641 20 5 FHBDRO CC[NH+](CC)[C@@H](C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000541992095 568311555 /nfs/dbraw/zinc/31/15/55/568311555.db2.gz MMFSCFMTAOHYCY-GOSISDBHSA-N 1 0 357.410 3.625 20 5 FHBDRO CC[N@H+](Cc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)cc1)C1CC1 ZINC000604568571 568314375 /nfs/dbraw/zinc/31/43/75/568314375.db2.gz HZKJWPHXFVBSIH-UHFFFAOYSA-N 1 0 353.422 3.509 20 5 FHBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000031766889 568337234 /nfs/dbraw/zinc/33/72/34/568337234.db2.gz IAPWZNRDNQIURK-UHFFFAOYSA-N 1 0 367.449 3.560 20 5 FHBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000569741556 568417207 /nfs/dbraw/zinc/41/72/07/568417207.db2.gz PSLXFCPSTNLPGG-HZPDHXFCSA-N 1 0 355.438 3.913 20 5 FHBDRO COC(=O)CC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000570106466 568451342 /nfs/dbraw/zinc/45/13/42/568451342.db2.gz JGSLCAPHXVCIPI-ROUUACIJSA-N 1 0 354.406 3.866 20 5 FHBDRO CN(Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000570093044 568458513 /nfs/dbraw/zinc/45/85/13/568458513.db2.gz FGBIYGDUTGARNP-CQSZACIVSA-N 1 0 361.829 3.834 20 5 FHBDRO CC(=O)c1cc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccc1[N+](=O)[O-] ZINC000570591781 568489738 /nfs/dbraw/zinc/48/97/38/568489738.db2.gz QRZZTOLZEDJCBW-KRWDZBQOSA-N 1 0 359.470 3.890 20 5 FHBDRO Cc1c(NC(=O)CC[N@H+]2Cc3ccccc3OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000542012740 568542162 /nfs/dbraw/zinc/54/21/62/568542162.db2.gz KVEMOZBOVUTRBS-CQSZACIVSA-N 1 0 369.421 3.515 20 5 FHBDRO C[C@H]([NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000824544932 608503237 /nfs/dbraw/zinc/50/32/37/608503237.db2.gz ANFAOUPKILXZNU-KPZWWZAWSA-N 1 0 364.409 3.503 20 5 FHBDRO O=[N+]([O-])c1cc(C(F)(F)N2CCCC[C@@H]2C2CC[NH2+]CC2)cnc1Cl ZINC001164417130 718891440 /nfs/dbraw/zinc/89/14/40/718891440.db2.gz IIAWKDSFCSVHEQ-CYBMUJFWSA-N 1 0 374.819 3.547 20 5 FHBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164618858 719056209 /nfs/dbraw/zinc/05/62/09/719056209.db2.gz BZQUXJUVAZULQO-DOTOQJQBSA-N 1 0 372.856 3.744 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCCC3)CC2)nc1-c1ccccc1 ZINC000301873017 721862207 /nfs/dbraw/zinc/86/22/07/721862207.db2.gz LBGHVIOFJSHSNC-UHFFFAOYSA-N 1 0 352.438 3.721 20 5 FHBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165048642 721973101 /nfs/dbraw/zinc/97/31/01/721973101.db2.gz JXOOWYXGZJZEML-KRWDZBQOSA-N 1 0 354.454 3.988 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCc1ccc3c(c1)OC(F)(F)O3)CC2 ZINC001167648352 936374727 /nfs/dbraw/zinc/37/47/27/936374727.db2.gz TUZMKMFVHJJSPN-UHFFFAOYSA-N 1 0 362.332 3.517 20 5 FHBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000573140121 936378823 /nfs/dbraw/zinc/37/88/23/936378823.db2.gz AWKNVJDQVVDCBE-MAUKXSAKSA-N 1 0 355.438 3.913 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162540691 937159874 /nfs/dbraw/zinc/15/98/74/937159874.db2.gz UFKJYSBZNXYHAA-UHFFFAOYSA-N 1 0 363.458 3.511 20 5 FHBDRO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000248012195 937174215 /nfs/dbraw/zinc/17/42/15/937174215.db2.gz LIVYFSNAYIQICZ-WDYCEAGBSA-N 1 0 363.502 3.691 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1CN(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000430193777 927826226 /nfs/dbraw/zinc/82/62/26/927826226.db2.gz AUYWKEZYLYDGLR-UHFFFAOYSA-N 1 0 369.465 3.700 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000120303364 928047276 /nfs/dbraw/zinc/04/72/76/928047276.db2.gz RZRQJNIGOZFDRA-OAHLLOKOSA-N 1 0 362.455 3.698 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000430207012 928060442 /nfs/dbraw/zinc/06/04/42/928060442.db2.gz YCUVATHQCXGWKC-UHFFFAOYSA-N 1 0 360.385 3.538 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1CC(=O)c1cccs1 ZINC000430206808 928063168 /nfs/dbraw/zinc/06/31/68/928063168.db2.gz LFRKGHRKMYIJFQ-AWEZNQCLSA-N 1 0 360.435 3.902 20 5 FHBDRO O=[N+]([O-])c1cccc2nc(N3CC4(CC[NH2+]CC4)c4ccccc43)ccc21 ZINC001167068989 928161092 /nfs/dbraw/zinc/16/10/92/928161092.db2.gz HMTVBOFOQAJEPW-UHFFFAOYSA-N 1 0 360.417 3.916 20 5 FHBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000510096425 928221897 /nfs/dbraw/zinc/22/18/97/928221897.db2.gz ZOQXGPQSJDBDRX-CQSZACIVSA-N 1 0 360.458 3.546 20 5 FHBDRO COc1cccc(N2CC[C@H](C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000157567674 928266850 /nfs/dbraw/zinc/26/68/50/928266850.db2.gz IFHSRPTVGAEXFQ-HZPDHXFCSA-N 1 0 355.438 3.781 20 5 FHBDRO Cn1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(-c2cccnc2)n1 ZINC000154257452 928646079 /nfs/dbraw/zinc/64/60/79/928646079.db2.gz KEHTYJPGKIYMLB-UHFFFAOYSA-N 1 0 363.421 3.555 20 5 FHBDRO CCCc1ccc([C@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC(N)=O)cc1 ZINC000609120941 928986688 /nfs/dbraw/zinc/98/66/88/928986688.db2.gz BDYIWHSPMMMUBA-INIZCTEOSA-N 1 0 369.465 3.638 20 5 FHBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000175771600 929040035 /nfs/dbraw/zinc/04/00/35/929040035.db2.gz QTLAXPOJMLOSJF-BETUJISGSA-N 1 0 367.877 3.735 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000120640749 929163927 /nfs/dbraw/zinc/16/39/27/929163927.db2.gz FQFWTOWYLIEUMQ-DYESRHJHSA-N 1 0 369.465 3.627 20 5 FHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000609634038 929288386 /nfs/dbraw/zinc/28/83/86/929288386.db2.gz APBBFRIOTSDFEC-HXUWFJFHSA-N 1 0 369.465 3.748 20 5 FHBDRO CN(C(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)c1ccccc1 ZINC000430295858 929387798 /nfs/dbraw/zinc/38/77/98/929387798.db2.gz BQLYBEJJBNZWJA-HNNXBMFYSA-N 1 0 373.840 3.733 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430301016 929546236 /nfs/dbraw/zinc/54/62/36/929546236.db2.gz PNOPZOWHSMIXRL-IAGOWNOFSA-N 1 0 367.449 3.949 20 5 FHBDRO O=C(NC1CCCCC1)OC[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000796681991 937348933 /nfs/dbraw/zinc/34/89/33/937348933.db2.gz FZGITFWZOLVJKB-SFHVURJKSA-N 1 0 361.442 3.618 20 5 FHBDRO Cc1ccc(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000471450699 929686942 /nfs/dbraw/zinc/68/69/42/929686942.db2.gz IAAUUKSIYIFLCJ-INIZCTEOSA-N 1 0 355.438 3.544 20 5 FHBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000610296331 929714398 /nfs/dbraw/zinc/71/43/98/929714398.db2.gz AJCIOWRZARMCHN-KRWDZBQOSA-N 1 0 373.840 3.595 20 5 FHBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H]2CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000063492134 929717651 /nfs/dbraw/zinc/71/76/51/929717651.db2.gz KLUCOSDGZWQULB-IBGZPJMESA-N 1 0 353.422 3.851 20 5 FHBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275661573 929765253 /nfs/dbraw/zinc/76/52/53/929765253.db2.gz OBGMBHZHGXBEJM-AWEZNQCLSA-N 1 0 373.478 3.818 20 5 FHBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175831846 929776037 /nfs/dbraw/zinc/77/60/37/929776037.db2.gz ORZPYRAUJGHGIM-WBMJQRKESA-N 1 0 350.415 3.884 20 5 FHBDRO Cc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3C)C2=O)cc1 ZINC000580023614 929906653 /nfs/dbraw/zinc/90/66/53/929906653.db2.gz ZMQUSZSDDJVPRU-OXQOHEQNSA-N 1 0 367.449 3.663 20 5 FHBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)n1 ZINC000134105402 930038724 /nfs/dbraw/zinc/03/87/24/930038724.db2.gz ASBWZNBOYUTMIZ-HIFRSBDPSA-N 1 0 368.359 3.736 20 5 FHBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275733663 930069878 /nfs/dbraw/zinc/06/98/78/930069878.db2.gz YCPSTSVBVAMPGM-CVEARBPZSA-N 1 0 363.461 3.696 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000165508716 930207416 /nfs/dbraw/zinc/20/74/16/930207416.db2.gz QJXUVKKCGBFBBP-ZDUSSCGKSA-N 1 0 361.829 3.637 20 5 FHBDRO CCC[N@H+](CC)CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275813734 930435505 /nfs/dbraw/zinc/43/55/05/930435505.db2.gz RDWFXPCPAJNFEH-UHFFFAOYSA-N 1 0 351.450 3.555 20 5 FHBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1OCC(=O)NC ZINC000610420422 930489584 /nfs/dbraw/zinc/48/95/84/930489584.db2.gz ZNMUEYACHMDNHQ-KBXCAEBGSA-N 1 0 371.437 3.522 20 5 FHBDRO CCCC[N@H+](C)C[C@@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000583410539 937424294 /nfs/dbraw/zinc/42/42/94/937424294.db2.gz SAPGWRIKHCAQCC-CQSZACIVSA-N 1 0 362.499 3.928 20 5 FHBDRO C[C@H](CCNc1ncnc2sc([N+](=O)[O-])cc21)[N@H+](C)Cc1ccccc1 ZINC000379667531 930517943 /nfs/dbraw/zinc/51/79/43/930517943.db2.gz BJLZPSHVRURSQL-CYBMUJFWSA-N 1 0 371.466 3.922 20 5 FHBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379666728 930517996 /nfs/dbraw/zinc/51/79/96/930517996.db2.gz XFMQBKIFRHJLFD-WMLDXEAASA-N 1 0 357.458 3.585 20 5 FHBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275908174 930823263 /nfs/dbraw/zinc/82/32/63/930823263.db2.gz SBSXPEMMRHHVRS-UHFFFAOYSA-N 1 0 363.461 3.650 20 5 FHBDRO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000580577478 930873479 /nfs/dbraw/zinc/87/34/79/930873479.db2.gz YIGDZELLDFVIQC-GOEBONIOSA-N 1 0 364.442 3.595 20 5 FHBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001167424388 930940550 /nfs/dbraw/zinc/94/05/50/930940550.db2.gz HZOOFHALJXFVFX-CABCVRRESA-N 1 0 363.458 3.689 20 5 FHBDRO C[C@@H](C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000580758360 931114857 /nfs/dbraw/zinc/11/48/57/931114857.db2.gz YLYOTYULRDSNNO-BFUOFWGJSA-N 1 0 353.422 3.886 20 5 FHBDRO CCCCN(CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000091950215 931274880 /nfs/dbraw/zinc/27/48/80/931274880.db2.gz XZNOFDNHOTWHHE-UHFFFAOYSA-N 1 0 365.817 3.596 20 5 FHBDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000610468831 931379117 /nfs/dbraw/zinc/37/91/17/931379117.db2.gz IGRCNLOXCRUILQ-AWEZNQCLSA-N 1 0 360.845 3.744 20 5 FHBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000175872819 931425908 /nfs/dbraw/zinc/42/59/08/931425908.db2.gz ORTLDCMCEPEXLR-HOTGVXAUSA-N 1 0 352.456 3.615 20 5 FHBDRO O=[N+]([O-])c1ccc(OCC[N@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1 ZINC000581361835 931894748 /nfs/dbraw/zinc/89/47/48/931894748.db2.gz UKGZPLSXQLDCMJ-UHFFFAOYSA-N 1 0 374.412 3.794 20 5 FHBDRO O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000933211215 931930697 /nfs/dbraw/zinc/93/06/97/931930697.db2.gz KWAYBQUCIOGKMI-UHFFFAOYSA-N 1 0 369.421 3.767 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN(C(=O)C1CCC1)C1CC1 ZINC000537966870 932179576 /nfs/dbraw/zinc/17/95/76/932179576.db2.gz IOLCUZXFKNGLDQ-HNNXBMFYSA-N 1 0 359.470 3.735 20 5 FHBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000119396941 932195636 /nfs/dbraw/zinc/19/56/36/932195636.db2.gz WALYTCWCUQEKDM-CQSZACIVSA-N 1 0 371.437 3.500 20 5 FHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178043213 932217403 /nfs/dbraw/zinc/21/74/03/932217403.db2.gz VQJBPLNAMOLDAQ-DLBZAZTESA-N 1 0 367.449 3.798 20 5 FHBDRO Cc1c(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000178051105 932223288 /nfs/dbraw/zinc/22/32/88/932223288.db2.gz NXLIBKFVYBMKLP-KRWDZBQOSA-N 1 0 367.449 3.545 20 5 FHBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1N1CCCC1 ZINC000051120799 932338639 /nfs/dbraw/zinc/33/86/39/932338639.db2.gz SJJBBBDEVYNDEA-UHFFFAOYSA-N 1 0 355.438 3.706 20 5 FHBDRO CC(C)[NH+](CCS[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000160976579 932356401 /nfs/dbraw/zinc/35/64/01/932356401.db2.gz YHHKDJLDZHREGE-AWEZNQCLSA-N 1 0 353.488 3.774 20 5 FHBDRO Cc1cc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000581679247 932476259 /nfs/dbraw/zinc/47/62/59/932476259.db2.gz NXNXJPIUIQHFCV-MRXNPFEDSA-N 1 0 357.376 3.844 20 5 FHBDRO C[C@@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000090910157 932603011 /nfs/dbraw/zinc/60/30/11/932603011.db2.gz XXCNKTONXUBEGE-XLIONFOSSA-N 1 0 353.466 3.780 20 5 FHBDRO COc1cc(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000302060178 932656671 /nfs/dbraw/zinc/65/66/71/932656671.db2.gz SONFQCFTBAQNBL-UONOGXRCSA-N 1 0 363.458 3.677 20 5 FHBDRO C[C@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000430659816 932683730 /nfs/dbraw/zinc/68/37/30/932683730.db2.gz CATYOHAGYVHAFG-KSSFIOAISA-N 1 0 371.412 3.517 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000276627308 932811120 /nfs/dbraw/zinc/81/11/20/932811120.db2.gz RYGFBQMDVUWCSF-UHFFFAOYSA-N 1 0 361.829 3.548 20 5 FHBDRO O=C(C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000178206659 932880095 /nfs/dbraw/zinc/88/00/95/932880095.db2.gz IXZNUFPXKXBYNY-IRXDYDNUSA-N 1 0 353.422 3.534 20 5 FHBDRO O=C(NCc1ccccc1C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000610560147 932992083 /nfs/dbraw/zinc/99/20/83/932992083.db2.gz DUNYBJYQPMXFNS-UHFFFAOYSA-N 1 0 368.437 3.902 20 5 FHBDRO COc1cccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1OC ZINC000165944177 933413065 /nfs/dbraw/zinc/41/30/65/933413065.db2.gz PPCHKRYKZZMAPB-KRWDZBQOSA-N 1 0 356.422 3.723 20 5 FHBDRO CN1CCC([N@H+](CCc2ccc([N+](=O)[O-])cc2)Cc2ccccc2)CC1 ZINC000611191034 933670113 /nfs/dbraw/zinc/67/01/13/933670113.db2.gz SZWDBEIJGKIZHZ-UHFFFAOYSA-N 1 0 353.466 3.734 20 5 FHBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458209707 934380430 /nfs/dbraw/zinc/38/04/30/934380430.db2.gz KOUJZUNXKRHTRY-CQSZACIVSA-N 1 0 365.499 3.559 20 5 FHBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000247661541 934553341 /nfs/dbraw/zinc/55/33/41/934553341.db2.gz XOPRFIIBLCYHOX-UOIKSKOESA-N 1 0 373.478 3.543 20 5 FHBDRO CCOc1ccccc1[C@@H](CC)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000538152693 934611154 /nfs/dbraw/zinc/61/11/54/934611154.db2.gz FZGRTEFWMSFBNY-MRXNPFEDSA-N 1 0 371.437 3.981 20 5 FHBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000084251021 934753651 /nfs/dbraw/zinc/75/36/51/934753651.db2.gz AMYZVYOHXMJGGY-UHFFFAOYSA-N 1 0 367.858 3.514 20 5 FHBDRO C[C@H](CN1CCCC1=O)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000178489287 934837512 /nfs/dbraw/zinc/83/75/12/934837512.db2.gz HVYRWKRCTLTXOO-ZIAGYGMSSA-N 1 0 373.478 3.985 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380702556 934879775 /nfs/dbraw/zinc/87/97/75/934879775.db2.gz HBHLHMRYSQRFSH-WMZOPIPTSA-N 1 0 369.465 3.604 20 5 FHBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000119560007 934882811 /nfs/dbraw/zinc/88/28/11/934882811.db2.gz NXPKPXMIXAVYNL-UHFFFAOYSA-N 1 0 369.465 3.556 20 5 FHBDRO Cn1cc(C[N@@H+]2CC[C@H]2Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538723406 934897665 /nfs/dbraw/zinc/89/76/65/934897665.db2.gz AVZNNUUJITYALR-FQEVSTJZSA-N 1 0 362.433 3.812 20 5 FHBDRO O=[N+]([O-])c1ccc(OCC[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000065536249 934961985 /nfs/dbraw/zinc/96/19/85/934961985.db2.gz FNZGHBLVANTQCM-FQEVSTJZSA-N 1 0 356.422 3.655 20 5 FHBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(Cn3cccn3)cc2)cccc1[N+](=O)[O-] ZINC000178503844 934968004 /nfs/dbraw/zinc/96/80/04/934968004.db2.gz LVCPTBJDKGVKRY-INIZCTEOSA-N 1 0 350.422 3.999 20 5 FHBDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000472143745 935182025 /nfs/dbraw/zinc/18/20/25/935182025.db2.gz HFUKUTQKOGSXJI-REMYHPOOSA-N 1 0 355.438 3.779 20 5 FHBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000472143744 935182289 /nfs/dbraw/zinc/18/22/89/935182289.db2.gz HFUKUTQKOGSXJI-LIMHQNJXSA-N 1 0 355.438 3.779 20 5 FHBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511061334 935188256 /nfs/dbraw/zinc/18/82/56/935188256.db2.gz ABZJGCWGIXWXOG-CYBMUJFWSA-N 1 0 368.359 3.727 20 5 FHBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000072034666 935225246 /nfs/dbraw/zinc/22/52/46/935225246.db2.gz VVONLIKTOJFBIY-UHFFFAOYSA-N 1 0 367.877 3.832 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)cc1[N+](=O)[O-] ZINC000119957107 935361634 /nfs/dbraw/zinc/36/16/34/935361634.db2.gz WBFPTSZSAXOCKQ-DZGCQCFKSA-N 1 0 360.845 3.881 20 5 FHBDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1cccc([N+](=O)[O-])c1 ZINC000119995965 935426579 /nfs/dbraw/zinc/42/65/79/935426579.db2.gz NCZSNHDORIIZOO-RHSMWYFYSA-N 1 0 360.845 3.963 20 5 FHBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000051560292 935476700 /nfs/dbraw/zinc/47/67/00/935476700.db2.gz KTQDRGZXBAQUGU-MRXNPFEDSA-N 1 0 370.405 3.582 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000127568989 935627011 /nfs/dbraw/zinc/62/70/11/935627011.db2.gz XZRXWOQFKCVNHP-MRXNPFEDSA-N 1 0 360.458 3.598 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000051650055 935636705 /nfs/dbraw/zinc/63/67/05/935636705.db2.gz NSHHVFGCGUJQPZ-SFHVURJKSA-N 1 0 354.406 3.746 20 5 FHBDRO Cc1noc(C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)c2ccccc2)n1 ZINC000277700767 935834143 /nfs/dbraw/zinc/83/41/43/935834143.db2.gz RHFPOUYWRLFVNO-GOSISDBHSA-N 1 0 352.394 3.668 20 5 FHBDRO [NH3+]Cc1cccn1-c1nc2ccsc2c(Oc2cccc([N+](=O)[O-])c2)n1 ZINC001167586952 935856526 /nfs/dbraw/zinc/85/65/26/935856526.db2.gz WFUHTROJDNEUOH-UHFFFAOYSA-N 1 0 367.390 3.641 20 5 FHBDRO Cc1noc(C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c2ccccc2)n1 ZINC000563419877 935882680 /nfs/dbraw/zinc/88/26/80/935882680.db2.gz ZVOQMGJWUZTKAS-MSOLQXFVSA-N 1 0 364.405 3.847 20 5 FHBDRO Cc1ccc([C@@H]2CCCCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])o1 ZINC000158655850 935887789 /nfs/dbraw/zinc/88/77/89/935887789.db2.gz LYFXTDFANZBTRY-INIZCTEOSA-N 1 0 357.410 3.712 20 5 FHBDRO CN(C)[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccc(F)c1 ZINC000479878072 935911562 /nfs/dbraw/zinc/91/15/62/935911562.db2.gz YNVJZJMPAMZZPD-CTNGQTDRSA-N 1 0 371.456 3.948 20 5 FHBDRO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CC2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC000582664604 935920696 /nfs/dbraw/zinc/92/06/96/935920696.db2.gz JRKCSHJARGGAAH-XVDPQKCLSA-N 1 0 354.454 3.834 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611707496 935948917 /nfs/dbraw/zinc/94/89/17/935948917.db2.gz NOZJBGQAKMMFRM-HOTGVXAUSA-N 1 0 369.469 3.629 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(Cn3ccnc3)c2)cc1[N+](=O)[O-] ZINC000151327906 945135529 /nfs/dbraw/zinc/13/55/29/945135529.db2.gz IBTPWUHKVXQFHV-MRXNPFEDSA-N 1 0 350.422 3.999 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)cc1[N+](=O)[O-] ZINC000160455306 936069901 /nfs/dbraw/zinc/06/99/01/936069901.db2.gz DXKWPXLEKFUEHM-KRWDZBQOSA-N 1 0 369.465 3.586 20 5 FHBDRO Cc1ccnc(NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000582807985 936149664 /nfs/dbraw/zinc/14/96/64/936149664.db2.gz NEADVSXAIJKERF-QGZVFWFLSA-N 1 0 358.442 3.800 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2nc(CN[C@@H](c3ccncc3)C3CC3)co2)cc1 ZINC000934695501 936185527 /nfs/dbraw/zinc/18/55/27/936185527.db2.gz ONTOQVPABZHPOC-GOSISDBHSA-N 1 0 350.378 3.886 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000178686964 936203798 /nfs/dbraw/zinc/20/37/98/936203798.db2.gz KEWGUOGNBVXSOS-NWDGAFQWSA-N 1 0 363.364 3.859 20 5 FHBDRO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178684284 936205744 /nfs/dbraw/zinc/20/57/44/936205744.db2.gz IJAZYVDFZGFLLV-HOTGVXAUSA-N 1 0 355.438 3.567 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000178689182 936210949 /nfs/dbraw/zinc/21/09/49/936210949.db2.gz CWTKBNPIYPNQBJ-KBPBESRZSA-N 1 0 373.478 3.589 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccnc2Cl)cc1[N+](=O)[O-] ZINC000178690066 936212546 /nfs/dbraw/zinc/21/25/46/936212546.db2.gz LHPVCBAANQMLBJ-NWDGAFQWSA-N 1 0 362.817 3.629 20 5 FHBDRO Cc1cccc(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000161518995 936263146 /nfs/dbraw/zinc/26/31/46/936263146.db2.gz AJEGONZNYWRNEZ-UHFFFAOYSA-N 1 0 359.470 3.676 20 5 FHBDRO COc1cc(C[NH2+]CCc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1O ZINC000509584203 945156765 /nfs/dbraw/zinc/15/67/65/945156765.db2.gz QFRQFYAWRLZDFI-UHFFFAOYSA-N 1 0 358.438 3.939 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000246125284 938340178 /nfs/dbraw/zinc/34/01/78/938340178.db2.gz HXWGOGHTMDVQDL-CKEIUWERSA-N 1 0 361.442 3.585 20 5 FHBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000278373097 938359054 /nfs/dbraw/zinc/35/90/54/938359054.db2.gz RTUBUQSQOYDHBH-HNNXBMFYSA-N 1 0 363.461 3.650 20 5 FHBDRO CN(CCC[N@H+](C)Cc1ccco1)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432138157 945178986 /nfs/dbraw/zinc/17/89/86/945178986.db2.gz KIQSKAHVSSQYCL-UHFFFAOYSA-N 1 0 354.410 3.694 20 5 FHBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCC[C@H]1O ZINC000584021377 938553611 /nfs/dbraw/zinc/55/36/11/938553611.db2.gz ROFQHJCYVQUORL-HZPDHXFCSA-N 1 0 350.802 3.853 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000584032568 938558704 /nfs/dbraw/zinc/55/87/04/938558704.db2.gz CHBNSJYRTRGVFJ-UHFFFAOYSA-N 1 0 353.850 3.551 20 5 FHBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000437869696 945200839 /nfs/dbraw/zinc/20/08/39/945200839.db2.gz NLKXGOGFQVDKBP-INIZCTEOSA-N 1 0 370.453 3.603 20 5 FHBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCc1ccccc1 ZINC000053048039 938852390 /nfs/dbraw/zinc/85/23/90/938852390.db2.gz WJLZKUIZRZZVKU-AWEZNQCLSA-N 1 0 352.394 3.880 20 5 FHBDRO Cc1c(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cccc1[N+](=O)[O-] ZINC000140194011 938945423 /nfs/dbraw/zinc/94/54/23/938945423.db2.gz GZEYNYUEIGEPPT-HNNXBMFYSA-N 1 0 373.478 3.607 20 5 FHBDRO COC(=O)c1ccc2c(c1)CN(c1cc(C)[nH+]c3ccc([N+](=O)[O-])cc31)C2 ZINC000611925132 938989351 /nfs/dbraw/zinc/98/93/51/938989351.db2.gz OSYVPWAUEYEQHC-UHFFFAOYSA-N 1 0 363.373 3.758 20 5 FHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1F ZINC000278780392 938991674 /nfs/dbraw/zinc/99/16/74/938991674.db2.gz ZKSXLBYQVAOGCQ-IBGZPJMESA-N 1 0 358.369 3.746 20 5 FHBDRO COc1cc(CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000611935388 938993050 /nfs/dbraw/zinc/99/30/50/938993050.db2.gz WSNUEBSUFQDRGH-IBGZPJMESA-N 1 0 369.465 3.920 20 5 FHBDRO C[C@@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1cccc(F)c1 ZINC000472336820 938994704 /nfs/dbraw/zinc/99/47/04/938994704.db2.gz OCBJDELNGCUIPC-BFUOFWGJSA-N 1 0 357.385 3.756 20 5 FHBDRO C[C@@H]([NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000187593282 938994747 /nfs/dbraw/zinc/99/47/47/938994747.db2.gz MTKNFCRUBGWWKK-CQSZACIVSA-N 1 0 361.442 3.813 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000472341972 939001072 /nfs/dbraw/zinc/00/10/72/939001072.db2.gz IBFIPHMORVLIFN-AEFFLSMTSA-N 1 0 367.449 3.795 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000472352523 939015930 /nfs/dbraw/zinc/01/59/30/939015930.db2.gz ZPMLZUMIXUQGGH-WMZOPIPTSA-N 1 0 367.449 3.795 20 5 FHBDRO NC(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000102420627 939018600 /nfs/dbraw/zinc/01/86/00/939018600.db2.gz LVCPGPUBFIAQCN-UHFFFAOYSA-N 1 0 367.430 3.712 20 5 FHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000612101620 939050768 /nfs/dbraw/zinc/05/07/68/939050768.db2.gz BVSGEGREFYXELJ-YTQUADARSA-N 1 0 352.438 3.702 20 5 FHBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000511826876 945223739 /nfs/dbraw/zinc/22/37/39/945223739.db2.gz SXGGBWQUQRPNML-GJZGRUSLSA-N 1 0 368.359 3.736 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000179426577 939155690 /nfs/dbraw/zinc/15/56/90/939155690.db2.gz XTEYAZGZLHRNKQ-MAUKXSAKSA-N 1 0 358.438 3.810 20 5 FHBDRO COc1cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000511844851 945261650 /nfs/dbraw/zinc/26/16/50/945261650.db2.gz TVUGWBPCKSFLNP-AAEUAGOBSA-N 1 0 356.369 3.969 20 5 FHBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000437356097 945268883 /nfs/dbraw/zinc/26/88/83/945268883.db2.gz WPURXDNTPBRDEQ-CABCVRRESA-N 1 0 358.394 3.676 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCc2ccc3c(c2)OCO3)o1 ZINC000518272077 945277541 /nfs/dbraw/zinc/27/75/41/945277541.db2.gz ZZIAYBUVQMAGMI-UHFFFAOYSA-N 1 0 366.373 3.916 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000179527278 939882148 /nfs/dbraw/zinc/88/21/48/939882148.db2.gz SHBSFTGUKMBONU-OAHLLOKOSA-N 1 0 371.437 3.980 20 5 FHBDRO Cc1cccc2oc(CC[NH2+][C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)nc21 ZINC000410358296 939913293 /nfs/dbraw/zinc/91/32/93/939913293.db2.gz IDVKQWHUWDPWRZ-CABCVRRESA-N 1 0 369.425 3.557 20 5 FHBDRO CC(C)Oc1cccc([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000179675014 939917533 /nfs/dbraw/zinc/91/75/33/939917533.db2.gz FFJNSEDQYZLWLE-OAHLLOKOSA-N 1 0 371.437 3.696 20 5 FHBDRO CSc1ccccc1NC(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000411459056 940049575 /nfs/dbraw/zinc/04/95/75/940049575.db2.gz PBNFZDLUGMKPST-CYBMUJFWSA-N 1 0 359.451 3.996 20 5 FHBDRO COc1ccc(C[NH2+]CCc2coc(-c3ccc(F)cc3)n2)cc1[N+](=O)[O-] ZINC000106469709 945292368 /nfs/dbraw/zinc/29/23/68/945292368.db2.gz MTPVHMBQPFARAO-UHFFFAOYSA-N 1 0 371.368 3.730 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000612444843 940072785 /nfs/dbraw/zinc/07/27/85/940072785.db2.gz WSXNTSGQJGPOAB-JKSUJKDBSA-N 1 0 369.469 3.629 20 5 FHBDRO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411809093 940123687 /nfs/dbraw/zinc/12/36/87/940123687.db2.gz SYTJKRCVKGCSDO-NWDGAFQWSA-N 1 0 359.348 3.586 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCSC2(CCC2)CC1 ZINC000411872308 940146151 /nfs/dbraw/zinc/14/61/51/940146151.db2.gz VAJOFMJCCDUXTK-UHFFFAOYSA-N 1 0 363.483 3.593 20 5 FHBDRO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000612577368 940158547 /nfs/dbraw/zinc/15/85/47/940158547.db2.gz AWWARUUZMKMJBA-NRFANRHFSA-N 1 0 373.497 3.906 20 5 FHBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000612955432 940358755 /nfs/dbraw/zinc/35/87/55/940358755.db2.gz ZMEXLEBVZSWZIP-RQIDDLAKSA-N 1 0 354.410 3.879 20 5 FHBDRO CC(C)OCc1ccccc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000580814101 940486191 /nfs/dbraw/zinc/48/61/91/940486191.db2.gz UICQXHPTFNNLGU-RBUKOAKNSA-N 1 0 372.469 3.990 20 5 FHBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000685869018 940507794 /nfs/dbraw/zinc/50/77/94/940507794.db2.gz PWIRTNIPEHBQAL-HNNXBMFYSA-N 1 0 365.477 3.532 20 5 FHBDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000582328340 940666338 /nfs/dbraw/zinc/66/63/38/940666338.db2.gz UYAAYUZSPXUCNC-HXUWFJFHSA-N 1 0 374.437 3.848 20 5 FHBDRO O=C(CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000180157491 940719669 /nfs/dbraw/zinc/71/96/69/940719669.db2.gz NTWLZFIMQIFBDQ-OAQYLSRUSA-N 1 0 367.449 3.676 20 5 FHBDRO Cn1ccnc1[C@H]([NH2+]C1CCC(C(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000414193300 940740005 /nfs/dbraw/zinc/74/00/05/940740005.db2.gz SZTBOIOCNLUQGX-ZBCRRDGASA-N 1 0 364.396 3.831 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CCC1CCCCC1 ZINC000507605610 945352312 /nfs/dbraw/zinc/35/23/12/945352312.db2.gz AYWQQTVJALHTHO-AWEZNQCLSA-N 1 0 363.458 3.833 20 5 FHBDRO CC[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000414260695 940854271 /nfs/dbraw/zinc/85/42/71/940854271.db2.gz IQZGVBFSNHHUEH-NEPJUHHUSA-N 1 0 361.364 3.880 20 5 FHBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000452032523 940870955 /nfs/dbraw/zinc/87/09/55/940870955.db2.gz NZADXFXXKLNTIR-UHFFFAOYSA-N 1 0 365.783 3.707 20 5 FHBDRO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000414338952 941000292 /nfs/dbraw/zinc/00/02/92/941000292.db2.gz LECBEWFWBFHWTP-KANFNMMFSA-N 1 0 370.453 3.677 20 5 FHBDRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180427659 941012744 /nfs/dbraw/zinc/01/27/44/941012744.db2.gz BTXYYZKKDBBFIZ-OLZOCXBDSA-N 1 0 361.829 3.776 20 5 FHBDRO C[C@@H]([NH2+]CCCc1nc(-c2ccccc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000180429068 941013287 /nfs/dbraw/zinc/01/32/87/941013287.db2.gz BPRKAUGOXZGNCP-CQSZACIVSA-N 1 0 352.394 3.928 20 5 FHBDRO C[C@@H]([NH2+]CC(=O)N1c2ccccc2CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180442155 941015043 /nfs/dbraw/zinc/01/50/43/941015043.db2.gz JVABHUOSSPSJCX-LSDHHAIUSA-N 1 0 353.422 3.613 20 5 FHBDRO C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000180441595 941015061 /nfs/dbraw/zinc/01/50/61/941015061.db2.gz VWRVXFQLUHYITD-LRDDRELGSA-N 1 0 368.355 3.868 20 5 FHBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H](O)Cc2ccccc2)c2ccccc2)c1 ZINC000180471471 941019694 /nfs/dbraw/zinc/01/96/94/941019694.db2.gz XLBRUAXEBFACSV-FGZHOGPDSA-N 1 0 362.429 3.877 20 5 FHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000363798175 941047536 /nfs/dbraw/zinc/04/75/36/941047536.db2.gz PSOVTQZASRHDON-FUHWJXTLSA-N 1 0 373.497 3.639 20 5 FHBDRO CCOc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000180696240 941064752 /nfs/dbraw/zinc/06/47/52/941064752.db2.gz YHMGQTHIWBQSTE-AWEZNQCLSA-N 1 0 357.410 3.591 20 5 FHBDRO CC[N@@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C[C@H]1CCCO1 ZINC000511510333 941086015 /nfs/dbraw/zinc/08/60/15/941086015.db2.gz YDEDTDIDZXROQN-OAHLLOKOSA-N 1 0 360.410 3.864 20 5 FHBDRO C[N@H+](CCCOc1ccc(F)cc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177008738 941092892 /nfs/dbraw/zinc/09/28/92/941092892.db2.gz HZNKLINCGDABII-UHFFFAOYSA-N 1 0 359.357 3.776 20 5 FHBDRO COCCO[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000188814418 941095817 /nfs/dbraw/zinc/09/58/17/941095817.db2.gz XAWAHTXJBRUITO-CQSZACIVSA-N 1 0 362.451 3.561 20 5 FHBDRO CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311108633 941105628 /nfs/dbraw/zinc/10/56/28/941105628.db2.gz LZLOSCYIARZODN-KRWDZBQOSA-N 1 0 359.857 3.955 20 5 FHBDRO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H]1CCCC[C@@H]1O ZINC000181099100 941108703 /nfs/dbraw/zinc/10/87/03/941108703.db2.gz ZNJYXJVWLCGWMK-YOEHRIQHSA-N 1 0 361.467 3.701 20 5 FHBDRO Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)cc1 ZINC000189099189 941145375 /nfs/dbraw/zinc/14/53/75/941145375.db2.gz PWFKSOUXWBGABM-LPHOPBHVSA-N 1 0 367.449 3.663 20 5 FHBDRO COc1cc(Br)ccc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000189188994 941151227 /nfs/dbraw/zinc/15/12/27/941151227.db2.gz ZHEQMWKUKGOZCE-UHFFFAOYSA-N 1 0 365.227 3.964 20 5 FHBDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000189395713 941157056 /nfs/dbraw/zinc/15/70/56/941157056.db2.gz OQOIQSLBDLROAK-OLZOCXBDSA-N 1 0 361.467 3.841 20 5 FHBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c(Cl)c1 ZINC000189456916 941158304 /nfs/dbraw/zinc/15/83/04/941158304.db2.gz WNNCDLLSYKSQDH-UHFFFAOYSA-N 1 0 365.783 3.612 20 5 FHBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000189492452 941159134 /nfs/dbraw/zinc/15/91/34/941159134.db2.gz POJQVPKJNLTDHU-HUUCEWRRSA-N 1 0 362.455 3.799 20 5 FHBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000189495817 941159243 /nfs/dbraw/zinc/15/92/43/941159243.db2.gz ABAMJKIRVDYPMH-GDBMZVCRSA-N 1 0 351.472 3.577 20 5 FHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000189595585 941213308 /nfs/dbraw/zinc/21/33/08/941213308.db2.gz DTZNRPCLCZHDIO-RISCZKNCSA-N 1 0 366.767 3.821 20 5 FHBDRO CC[C@@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000311299173 941225542 /nfs/dbraw/zinc/22/55/42/941225542.db2.gz GXOZOSRHNQQLBX-IAGOWNOFSA-N 1 0 363.458 3.939 20 5 FHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2c[nH]c3ccccc23)n1 ZINC000472632879 941291391 /nfs/dbraw/zinc/29/13/91/941291391.db2.gz WIGPGDJWNSDTFG-ZWKOTPCHSA-N 1 0 353.426 3.589 20 5 FHBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000178678071 941294480 /nfs/dbraw/zinc/29/44/80/941294480.db2.gz OSODXPWGBDTNGC-DYESRHJHSA-N 1 0 359.473 3.944 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCCO[C@H](CF)C3)s2)cc1 ZINC000414479634 941330329 /nfs/dbraw/zinc/33/03/29/941330329.db2.gz SGJSNIHQMJBGKV-OAHLLOKOSA-N 1 0 350.415 3.884 20 5 FHBDRO Cc1sc(NC(=O)C23CCC[NH+]2CCC3)nc1-c1cccc([N+](=O)[O-])c1 ZINC000414979060 941531965 /nfs/dbraw/zinc/53/19/65/941531965.db2.gz UMIKYCGWUZJOKK-UHFFFAOYSA-N 1 0 372.450 3.594 20 5 FHBDRO [NH3+]CC[C@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(F)F ZINC000414985048 941533041 /nfs/dbraw/zinc/53/30/41/941533041.db2.gz FGIVSZKPPOAEHS-AWEZNQCLSA-N 1 0 369.343 3.598 20 5 FHBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181536939 941537003 /nfs/dbraw/zinc/53/70/03/941537003.db2.gz PHMCFVRVJZPJOO-LSDHHAIUSA-N 1 0 371.437 3.714 20 5 FHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000136157100 941566685 /nfs/dbraw/zinc/56/66/85/941566685.db2.gz HGXXHQMGKCZYDG-HNNXBMFYSA-N 1 0 359.184 3.864 20 5 FHBDRO CCc1ccccc1[C@@H]([NH3+])CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000415068222 941583884 /nfs/dbraw/zinc/58/38/84/941583884.db2.gz QSRRLYRTCRPABG-INIZCTEOSA-N 1 0 365.380 3.548 20 5 FHBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415201107 941670624 /nfs/dbraw/zinc/67/06/24/941670624.db2.gz YGIPHZGCXKORRC-KGLIPLIRSA-N 1 0 370.409 3.588 20 5 FHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000468604974 941821004 /nfs/dbraw/zinc/82/10/04/941821004.db2.gz FISWDXNHRYDMRL-IZZDOVSWSA-N 1 0 354.332 3.540 20 5 FHBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000236766056 941840765 /nfs/dbraw/zinc/84/07/65/941840765.db2.gz VYDMRWJSQPECFG-GOSISDBHSA-N 1 0 373.478 3.627 20 5 FHBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1C(F)(F)F)C[C@@H]1CCn2ccnc2C1 ZINC000377657324 941874448 /nfs/dbraw/zinc/87/44/48/941874448.db2.gz XPLYDNHPVVBPOA-GFCCVEGCSA-N 1 0 368.359 3.505 20 5 FHBDRO COc1ccccc1O[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000513395838 941890076 /nfs/dbraw/zinc/89/00/76/941890076.db2.gz AIMIUIUSSDPROG-SFHVURJKSA-N 1 0 372.421 3.526 20 5 FHBDRO CC(C)N(CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1ccc([N+](=O)[O-])cc1 ZINC000513405268 941898978 /nfs/dbraw/zinc/89/89/78/941898978.db2.gz FVVMCOACRVHKQX-AZUAARDMSA-N 1 0 373.497 3.986 20 5 FHBDRO C[NH+](C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000377686937 941900161 /nfs/dbraw/zinc/90/01/61/941900161.db2.gz DLCMUISBOYSTTF-SJLPKXTDSA-N 1 0 373.840 3.596 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000513407095 941901319 /nfs/dbraw/zinc/90/13/19/941901319.db2.gz BDWXEXCWBMMSJP-KRWDZBQOSA-N 1 0 361.442 3.587 20 5 FHBDRO CO[C@@H](CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(F)(F)F ZINC000468618152 941947744 /nfs/dbraw/zinc/94/77/44/941947744.db2.gz KQSCCCHMJNTIBN-HNNXBMFYSA-N 1 0 358.316 3.912 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000182618874 941947995 /nfs/dbraw/zinc/94/79/95/941947995.db2.gz QOHLBEJDFYZGGE-QGZVFWFLSA-N 1 0 369.465 3.933 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](O)C3CCCCC3)o2)c([N+](=O)[O-])c1 ZINC000517551426 941953253 /nfs/dbraw/zinc/95/32/53/941953253.db2.gz GLTWMXGZNVYLGC-IBGZPJMESA-N 1 0 374.437 3.894 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000182785401 941966777 /nfs/dbraw/zinc/96/67/77/941966777.db2.gz QYKRCNSOVZTPNQ-HZPDHXFCSA-N 1 0 361.486 3.839 20 5 FHBDRO CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000433956618 942016675 /nfs/dbraw/zinc/01/66/75/942016675.db2.gz DONOTCZBRCHROM-MOXGXCLJSA-N 1 0 372.469 3.642 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000085619945 942027356 /nfs/dbraw/zinc/02/73/56/942027356.db2.gz CRAXRRYFWFZQSV-KRWDZBQOSA-N 1 0 370.453 3.506 20 5 FHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)c2c(c1)COCO2 ZINC000513637118 942049256 /nfs/dbraw/zinc/04/92/56/942049256.db2.gz FTWYOBDLKXJPLI-QGZVFWFLSA-N 1 0 368.433 3.916 20 5 FHBDRO C[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000513678020 942070139 /nfs/dbraw/zinc/07/01/39/942070139.db2.gz GXBOVHFKGBZIAB-AUUYWEPGSA-N 1 0 368.412 3.950 20 5 FHBDRO Cc1cccc(NC(=O)C2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000053163659 942072391 /nfs/dbraw/zinc/07/23/91/942072391.db2.gz TVDGLXWWUYYFNJ-OAHLLOKOSA-N 1 0 368.437 3.710 20 5 FHBDRO Cc1ccc(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000501836963 942085285 /nfs/dbraw/zinc/08/52/85/942085285.db2.gz NOJQITXEEYTRMA-GOSISDBHSA-N 1 0 368.437 3.862 20 5 FHBDRO CSc1ccccc1C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501913775 942120827 /nfs/dbraw/zinc/12/08/27/942120827.db2.gz FJAAXJBLSQCCSX-UHFFFAOYSA-N 1 0 359.451 3.777 20 5 FHBDRO CC[NH2+]Cc1ccccc1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000415959251 942191369 /nfs/dbraw/zinc/19/13/69/942191369.db2.gz SRHAHBNPZYZHJI-UHFFFAOYSA-N 1 0 370.453 3.849 20 5 FHBDRO Cc1cccc([C@H]2CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000501010164 942256609 /nfs/dbraw/zinc/25/66/09/942256609.db2.gz IIOKVKKAEQWRAP-KRWDZBQOSA-N 1 0 353.422 3.721 20 5 FHBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)c(F)c1 ZINC000501031935 942262443 /nfs/dbraw/zinc/26/24/43/942262443.db2.gz ZYXVNVWLLDKNAQ-UHFFFAOYSA-N 1 0 365.792 3.848 20 5 FHBDRO CCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCc1cccs1 ZINC000501035307 942278571 /nfs/dbraw/zinc/27/85/71/942278571.db2.gz HMEHTSLRXSPQFZ-UHFFFAOYSA-N 1 0 361.467 3.940 20 5 FHBDRO CC[C@H]1Cc2ccccc2C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501054376 942280216 /nfs/dbraw/zinc/28/02/16/942280216.db2.gz NCSQJXCWYIQAHL-KRWDZBQOSA-N 1 0 353.422 3.760 20 5 FHBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686271522 942295325 /nfs/dbraw/zinc/29/53/25/942295325.db2.gz JHCLRUMRLKSEOY-NSHDSACASA-N 1 0 369.849 3.593 20 5 FHBDRO CSc1cccc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000188070332 942325212 /nfs/dbraw/zinc/32/52/12/942325212.db2.gz WVIJNQBIYURGFO-UHFFFAOYSA-N 1 0 365.499 3.653 20 5 FHBDRO C[NH+](C)Cc1cc(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)ccc1F ZINC000413140888 942338815 /nfs/dbraw/zinc/33/88/15/942338815.db2.gz LZGGZLKOVSSMLU-UHFFFAOYSA-N 1 0 372.322 3.821 20 5 FHBDRO C[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2F)[C@H]1c1cccs1 ZINC000413157583 942353230 /nfs/dbraw/zinc/35/32/30/942353230.db2.gz IAIATGJJXBPDMH-ABAIWWIYSA-N 1 0 350.419 3.685 20 5 FHBDRO C[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2F)[C@@H]1c1cccs1 ZINC000413157585 942353391 /nfs/dbraw/zinc/35/33/91/942353391.db2.gz IAIATGJJXBPDMH-IAQYHMDHSA-N 1 0 350.419 3.685 20 5 FHBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000501240793 942357099 /nfs/dbraw/zinc/35/70/99/942357099.db2.gz BCPXDMFAPYPPQG-LJQANCHMSA-N 1 0 370.453 3.669 20 5 FHBDRO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000502337856 942368105 /nfs/dbraw/zinc/36/81/05/942368105.db2.gz YKQNKCBUJSBXMQ-XJKSGUPXSA-N 1 0 364.396 3.833 20 5 FHBDRO COc1c(O)ccc(C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000893170578 942368150 /nfs/dbraw/zinc/36/81/50/942368150.db2.gz YIZHWNAFCWBXCS-AWEZNQCLSA-N 1 0 371.437 3.760 20 5 FHBDRO Cc1ccc(C(=O)N(CCCc2ccccc2)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000502361937 942380335 /nfs/dbraw/zinc/38/03/35/942380335.db2.gz WNNNRHROKSJNII-UHFFFAOYSA-N 1 0 369.465 3.540 20 5 FHBDRO COc1ccc(-c2ccc(CN3CCC[N@@H+](C(C)C)CC3)o2)c([N+](=O)[O-])c1 ZINC000505268053 942437134 /nfs/dbraw/zinc/43/71/34/942437134.db2.gz YAJQTKXQEYYSQY-UHFFFAOYSA-N 1 0 373.453 3.780 20 5 FHBDRO COc1ccc(C[NH2+]C[C@H](C)Oc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000237192361 942478238 /nfs/dbraw/zinc/47/82/38/942478238.db2.gz SJGOSMFODNEPCS-LBPRGKRZSA-N 1 0 350.802 3.814 20 5 FHBDRO CCCC[NH+](CCCC)CCNc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001167733349 942481939 /nfs/dbraw/zinc/48/19/39/942481939.db2.gz QWWGDIUPCPOUOV-UHFFFAOYSA-N 1 0 363.437 3.991 20 5 FHBDRO COc1cccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1OC(F)F ZINC000549407723 942488534 /nfs/dbraw/zinc/48/85/34/942488534.db2.gz IOWDKVYIJPFAJS-UHFFFAOYSA-N 1 0 366.364 3.879 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)cc1 ZINC000502530130 942504000 /nfs/dbraw/zinc/50/40/00/942504000.db2.gz PCAHKNNUFMHWDQ-LJQANCHMSA-N 1 0 360.841 3.782 20 5 FHBDRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000421362060 942513760 /nfs/dbraw/zinc/51/37/60/942513760.db2.gz MHMPPSJPUYHOMC-CTYIDZIISA-N 1 0 373.478 3.705 20 5 FHBDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000421362927 942516268 /nfs/dbraw/zinc/51/62/68/942516268.db2.gz OJDUGCIMDHAVNZ-STQMWFEESA-N 1 0 364.829 3.959 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000421415610 942561669 /nfs/dbraw/zinc/56/16/69/942561669.db2.gz CTMCMVDXJUMMCE-UHFFFAOYSA-N 1 0 367.449 3.606 20 5 FHBDRO Cc1cc(NCCC[NH2+]Cc2cccnc2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420188980 942568614 /nfs/dbraw/zinc/56/86/14/942568614.db2.gz UOUIBEXPVXGJIM-UHFFFAOYSA-N 1 0 368.359 3.909 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000104700336 942597221 /nfs/dbraw/zinc/59/72/21/942597221.db2.gz DQTYLGZEMUIQMX-HXUWFJFHSA-N 1 0 353.422 3.973 20 5 FHBDRO O=C(C[NH2+]C1(c2ccc(Cl)cc2)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000104708081 942618477 /nfs/dbraw/zinc/61/84/77/942618477.db2.gz MVHHNZJGBAUNEH-UHFFFAOYSA-N 1 0 359.813 3.856 20 5 FHBDRO CC(C)C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000501698158 942620062 /nfs/dbraw/zinc/62/00/62/942620062.db2.gz DJYLIWJPNLIHIT-AZUAARDMSA-N 1 0 358.438 3.712 20 5 FHBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000434427049 942654529 /nfs/dbraw/zinc/65/45/29/942654529.db2.gz YADORGGGVQREAO-OAHLLOKOSA-N 1 0 359.451 3.556 20 5 FHBDRO COc1c(O)ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c1[N+](=O)[O-] ZINC000893223169 942707931 /nfs/dbraw/zinc/70/79/31/942707931.db2.gz XRWIVPQEMKLYBK-PBHICJAKSA-N 1 0 372.421 3.567 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000408076510 942792286 /nfs/dbraw/zinc/79/22/86/942792286.db2.gz JVWDRBHRADDBSI-UHFFFAOYSA-N 1 0 359.470 3.611 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000421756505 942800314 /nfs/dbraw/zinc/80/03/14/942800314.db2.gz KAXNUQGEHCDQQQ-IXDOHACOSA-N 1 0 359.470 3.689 20 5 FHBDRO CCC[C@H](C)[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000434639134 942830926 /nfs/dbraw/zinc/83/09/26/942830926.db2.gz UWALPEYVZQOFTB-LBPRGKRZSA-N 1 0 362.455 3.777 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC2(C[C@@H]2C(=O)N2CCCC2)CC1 ZINC000378501879 942832265 /nfs/dbraw/zinc/83/22/65/942832265.db2.gz ZUWCKJFFSJEGLD-VQIMIIECSA-N 1 0 371.481 3.689 20 5 FHBDRO COc1ccc([C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C2CC2)c(F)c1 ZINC000421827653 942835671 /nfs/dbraw/zinc/83/56/71/942835671.db2.gz YSWISCHBROMCTC-LJQANCHMSA-N 1 0 360.385 3.992 20 5 FHBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000190206197 942857946 /nfs/dbraw/zinc/85/79/46/942857946.db2.gz UMGOVCAZAHMVCZ-CQSZACIVSA-N 1 0 373.375 3.834 20 5 FHBDRO Cc1cccc2c1C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000429592669 942866000 /nfs/dbraw/zinc/86/60/00/942866000.db2.gz UGKKKLXQSKMDHV-UHFFFAOYSA-N 1 0 353.422 3.599 20 5 FHBDRO COc1cc(C[N@H+](C)[C@H](C)C2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505589323 943111947 /nfs/dbraw/zinc/11/19/47/943111947.db2.gz ZZZJQXASTNLABR-LLVKDONJSA-N 1 0 358.385 3.868 20 5 FHBDRO Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513784867 943115790 /nfs/dbraw/zinc/11/57/90/943115790.db2.gz ARVJRLMBXGGOPD-WBAXXEDZSA-N 1 0 354.454 3.707 20 5 FHBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000016779970 943137513 /nfs/dbraw/zinc/13/75/13/943137513.db2.gz JVXYQQDEOQHPEI-UHFFFAOYSA-N 1 0 355.438 3.675 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000503414069 943171382 /nfs/dbraw/zinc/17/13/82/943171382.db2.gz WDSYCDBDQGSYHF-UHFFFAOYSA-N 1 0 367.449 3.631 20 5 FHBDRO CCS[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000503455484 943191890 /nfs/dbraw/zinc/19/18/90/943191890.db2.gz UFLQXNSWKWEPHI-WKPIXPDZSA-N 1 0 371.890 3.839 20 5 FHBDRO O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000510023405 943222810 /nfs/dbraw/zinc/22/28/10/943222810.db2.gz MAKJMVAEPCGFKD-XOWYPZSQSA-N 1 0 366.421 3.504 20 5 FHBDRO C[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000423016863 943365750 /nfs/dbraw/zinc/36/57/50/943365750.db2.gz NMECIBXSDWMTBJ-GZRFBZBPSA-N 1 0 353.422 3.501 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncnn1C(C)(C)C ZINC000503920985 943410289 /nfs/dbraw/zinc/41/02/89/943410289.db2.gz QKKXNJZKFRUTEV-ZDUSSCGKSA-N 1 0 363.487 3.602 20 5 FHBDRO C[NH+](C)CCc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000566440516 943420416 /nfs/dbraw/zinc/42/04/16/943420416.db2.gz KRPLENAJAGDZBU-UHFFFAOYSA-N 1 0 367.449 3.504 20 5 FHBDRO CC(C)c1ccc([C@H](N)C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000423234310 943442897 /nfs/dbraw/zinc/44/28/97/943442897.db2.gz FOCNFGNTAONNRR-QYZOEREBSA-N 1 0 371.485 3.688 20 5 FHBDRO Cc1cccc(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000162376797 943492284 /nfs/dbraw/zinc/49/22/84/943492284.db2.gz FYEGMDDGEBDUIC-OAQYLSRUSA-N 1 0 367.449 3.688 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3cncn3)cc1)CCCC2 ZINC000417302146 943495956 /nfs/dbraw/zinc/49/59/56/943495956.db2.gz CCRYMYNVZOXJKS-HXUWFJFHSA-N 1 0 363.421 3.733 20 5 FHBDRO CSC1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000417303283 943496028 /nfs/dbraw/zinc/49/60/28/943496028.db2.gz AEWPIAINHPDKHM-KRWDZBQOSA-N 1 0 350.484 3.864 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3c(c1)OCCO3)CCCC2 ZINC000417329536 943511695 /nfs/dbraw/zinc/51/16/95/943511695.db2.gz UPVNAJYIMBTBFK-SFHVURJKSA-N 1 0 354.406 3.923 20 5 FHBDRO CCOc1ccc([C@H](C)NC[C@@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000423446944 943513502 /nfs/dbraw/zinc/51/35/02/943513502.db2.gz ZMFAAWHZXQBFDB-KSSFIOAISA-N 1 0 355.438 3.531 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1cn3ccccc3n1)CCCC2 ZINC000417323102 943515570 /nfs/dbraw/zinc/51/55/70/943515570.db2.gz NYGVUSXNZKJCRZ-LJQANCHMSA-N 1 0 350.422 3.842 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1-n1cccn1)CCCC2 ZINC000417326136 943517983 /nfs/dbraw/zinc/51/79/83/943517983.db2.gz QZTXDXBPYODJQW-LJQANCHMSA-N 1 0 363.421 3.733 20 5 FHBDRO O=C([C@@H]1CC[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1)N1CCCC1 ZINC000417331986 943521404 /nfs/dbraw/zinc/52/14/04/943521404.db2.gz NEQZHXZRZQKPQY-UWVAXJGDSA-N 1 0 371.481 3.743 20 5 FHBDRO CN(C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000435740328 943591263 /nfs/dbraw/zinc/59/12/63/943591263.db2.gz JXOZTURITYZYOV-QGZVFWFLSA-N 1 0 368.437 3.553 20 5 FHBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000515254602 943605259 /nfs/dbraw/zinc/60/52/59/943605259.db2.gz URBGPUMOLIDDLP-MRXNPFEDSA-N 1 0 360.376 3.998 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000423959644 943658051 /nfs/dbraw/zinc/65/80/51/943658051.db2.gz CMUFHKCTBVKYMR-UHFFFAOYSA-N 1 0 374.466 3.696 20 5 FHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@]1(F)c1ccccc1 ZINC000424331271 943848251 /nfs/dbraw/zinc/84/82/51/943848251.db2.gz RXDXUDAVWNGGBL-XVSDVWIESA-N 1 0 357.385 3.539 20 5 FHBDRO [NH3+]C1(c2noc(-c3ccnc(-c4ccccc4)c3[N+](=O)[O-])n2)CCCCC1 ZINC000424349373 943856667 /nfs/dbraw/zinc/85/66/67/943856667.db2.gz QTNHAILHPIHPRR-UHFFFAOYSA-N 1 0 365.393 3.825 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000504900308 943877065 /nfs/dbraw/zinc/87/70/65/943877065.db2.gz VKXPQBQLDKOIOJ-SJORKVTESA-N 1 0 360.479 3.659 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn2ccccc2n1 ZINC000504900313 943877323 /nfs/dbraw/zinc/87/73/23/943877323.db2.gz VNJPEFPHSWMHOX-HNNXBMFYSA-N 1 0 370.478 3.946 20 5 FHBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C ZINC000425422341 943880392 /nfs/dbraw/zinc/88/03/92/943880392.db2.gz NASWEWKOUNNZGK-DOMZBBRYSA-N 1 0 370.291 3.662 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1c2ccccc2C[C@H]1O ZINC000504893609 943891349 /nfs/dbraw/zinc/89/13/49/943891349.db2.gz GYMKNYLEDGXIBD-LSBZLQRGSA-N 1 0 358.463 3.713 20 5 FHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(C(=O)NC)c1 ZINC000504899782 943897134 /nfs/dbraw/zinc/89/71/34/943897134.db2.gz MCPBHXIZYDAMLL-INIZCTEOSA-N 1 0 373.478 3.615 20 5 FHBDRO Cc1ccc([C@H](C)NC(=O)N(CCC[NH3+])CC2CCCC2)cc1[N+](=O)[O-] ZINC000417841553 943897979 /nfs/dbraw/zinc/89/79/79/943897979.db2.gz GDRXIYVHYNZLLH-HNNXBMFYSA-N 1 0 362.474 3.515 20 5 FHBDRO COc1ccc([C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(OC)c1 ZINC000516994558 943899638 /nfs/dbraw/zinc/89/96/38/943899638.db2.gz RCQBAPHUCSINDV-CYBMUJFWSA-N 1 0 369.421 3.987 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000504915375 943910781 /nfs/dbraw/zinc/91/07/81/943910781.db2.gz SRPPQRKKTIDXJM-KRWDZBQOSA-N 1 0 368.437 3.689 20 5 FHBDRO [NH3+][C@H](CCC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000515483398 943922215 /nfs/dbraw/zinc/92/22/15/943922215.db2.gz CUUCLTBQMVKZNW-LJQANCHMSA-N 1 0 355.438 3.514 20 5 FHBDRO CCOc1ccc([C@@H](C)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000504929773 943926686 /nfs/dbraw/zinc/92/66/86/943926686.db2.gz LGUJRZGSXRCMAH-QAPCUYQASA-N 1 0 361.486 3.909 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000517048566 943951532 /nfs/dbraw/zinc/95/15/32/943951532.db2.gz SKBISJHGFCHDGZ-HOTGVXAUSA-N 1 0 358.438 3.590 20 5 FHBDRO Cc1nccn1C[C@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000105442839 943953907 /nfs/dbraw/zinc/95/39/07/943953907.db2.gz UPCFJNLRUQXEFQ-CQSZACIVSA-N 1 0 354.410 3.786 20 5 FHBDRO CC[C@H](C)c1ccc([C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)cc1 ZINC000437636094 943981310 /nfs/dbraw/zinc/98/13/10/943981310.db2.gz MXLIEVWMIJZYSY-BEVDRBHNSA-N 1 0 374.485 3.653 20 5 FHBDRO C[C@@H](c1ccccc1)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCC1 ZINC000425460830 944005091 /nfs/dbraw/zinc/00/50/91/944005091.db2.gz TZDRJXXMKHXIME-INIZCTEOSA-N 1 0 355.438 3.762 20 5 FHBDRO Cc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000584517520 944052817 /nfs/dbraw/zinc/05/28/17/944052817.db2.gz PVJPJTSYUWZMDN-INIZCTEOSA-N 1 0 367.449 3.990 20 5 FHBDRO Cc1cc([N+](=O)[O-])cnc1Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000092649846 944117726 /nfs/dbraw/zinc/11/77/26/944117726.db2.gz PPKNUSYJLNMUPQ-UHFFFAOYSA-N 1 0 373.432 3.711 20 5 FHBDRO O=C(CC[N@@H+]1CCSC[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000500115841 944120944 /nfs/dbraw/zinc/12/09/44/944120944.db2.gz MNNHBRDUEMABEX-GOSISDBHSA-N 1 0 371.462 3.714 20 5 FHBDRO O=C(CC[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500113361 944128897 /nfs/dbraw/zinc/12/88/97/944128897.db2.gz GMTPFXNMVRFFIM-INIZCTEOSA-N 1 0 371.412 3.627 20 5 FHBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000436270921 944170081 /nfs/dbraw/zinc/17/00/81/944170081.db2.gz CELDLCTVSLOJOD-CYBMUJFWSA-N 1 0 370.331 3.851 20 5 FHBDRO C[NH+](C)[C@@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000436272453 944170121 /nfs/dbraw/zinc/17/01/21/944170121.db2.gz HKUPQZYWMVQDAA-CYBMUJFWSA-N 1 0 368.359 3.593 20 5 FHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000436317064 944196210 /nfs/dbraw/zinc/19/62/10/944196210.db2.gz KFUOOFLZZGCGHT-HOCLYGCPSA-N 1 0 352.438 3.810 20 5 FHBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000436390324 944260547 /nfs/dbraw/zinc/26/05/47/944260547.db2.gz ODMISAKFGBZYRL-GFCCVEGCSA-N 1 0 358.364 3.685 20 5 FHBDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000436379410 944265679 /nfs/dbraw/zinc/26/56/79/944265679.db2.gz XUFMKORLGJIRLG-QUCCMNQESA-N 1 0 374.437 3.511 20 5 FHBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000126508469 944334933 /nfs/dbraw/zinc/33/49/33/944334933.db2.gz DEZDBAYOTVWJPA-ZIAGYGMSSA-N 1 0 367.877 3.736 20 5 FHBDRO COc1ccccc1CC[N@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000729464483 944365157 /nfs/dbraw/zinc/36/51/57/944365157.db2.gz WUNDBHGSCVRLJU-UHFFFAOYSA-N 1 0 366.421 3.599 20 5 FHBDRO CC(C)c1ccc(C[NH2+]CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000517542965 944373035 /nfs/dbraw/zinc/37/30/35/944373035.db2.gz MMCNFCPYLIMSGD-IYBDPMFKSA-N 1 0 363.502 3.696 20 5 FHBDRO CC(C)c1ccc(C[NH2+][C@H](Cc2ccccc2)CN(C)C)cc1[N+](=O)[O-] ZINC000517536429 944381812 /nfs/dbraw/zinc/38/18/12/944381812.db2.gz HMLYXHJEWDDZDL-LJQANCHMSA-N 1 0 355.482 3.981 20 5 FHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)c1 ZINC000505844002 944411616 /nfs/dbraw/zinc/41/16/16/944411616.db2.gz CRPOKQMRXVUZMK-IACUCBDGSA-N 1 0 368.433 3.512 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)C1CC1 ZINC000426307750 944432967 /nfs/dbraw/zinc/43/29/67/944432967.db2.gz SRFKSNHPOCMNJV-PKOBYXMFSA-N 1 0 369.440 3.924 20 5 FHBDRO CC[N+](C)(C)Cc1ccccc1Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC001167979228 944436212 /nfs/dbraw/zinc/43/62/12/944436212.db2.gz VJOXDDUQPGWQOQ-UHFFFAOYSA-N 1 0 365.501 3.824 20 5 FHBDRO Cc1cc(NC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000473789233 944468937 /nfs/dbraw/zinc/46/89/37/944468937.db2.gz RTDBPIHMKOOCLY-MAUKXSAKSA-N 1 0 368.437 3.860 20 5 FHBDRO Cc1nc2cc(CNc3ccc([N+](=O)[O-])c(OCC[NH+](C)C)c3)ccc2o1 ZINC001167757982 944474552 /nfs/dbraw/zinc/47/45/52/944474552.db2.gz JBIXUHMMKBJTFC-UHFFFAOYSA-N 1 0 370.409 3.597 20 5 FHBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)c1ccco1 ZINC000473787136 944481968 /nfs/dbraw/zinc/48/19/68/944481968.db2.gz MLPKOKAQWPBKLV-INIZCTEOSA-N 1 0 360.414 3.701 20 5 FHBDRO CC[C@H]([NH2+]CCc1cc(F)cc2c1OCOC2)c1cccc([N+](=O)[O-])c1 ZINC000120733246 944519789 /nfs/dbraw/zinc/51/97/89/944519789.db2.gz GOZNRBQMRYQGRC-SFHVURJKSA-N 1 0 360.385 3.884 20 5 FHBDRO C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000439333700 944544325 /nfs/dbraw/zinc/54/43/25/944544325.db2.gz WGCCDSLQFYTIRV-POAQFYNOSA-N 1 0 370.449 3.603 20 5 FHBDRO COc1ccc([C@H]([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000184317075 944591247 /nfs/dbraw/zinc/59/12/47/944591247.db2.gz ZPVLLXUHNBLAHF-LJQANCHMSA-N 1 0 360.385 3.992 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+](CCO)Cc3cccc(F)c3)o2)cc1 ZINC000426384322 944608629 /nfs/dbraw/zinc/60/86/29/944608629.db2.gz GKXMCSXXFLGZCW-UHFFFAOYSA-N 1 0 370.380 3.988 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000438482131 944662578 /nfs/dbraw/zinc/66/25/78/944662578.db2.gz KGKGINGPDNQEDF-OAQYLSRUSA-N 1 0 367.449 3.895 20 5 FHBDRO C[C@@H]1CCC[C@](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)([NH+](C)C)C1 ZINC000518782459 944737642 /nfs/dbraw/zinc/73/76/42/944737642.db2.gz ZEHZHIWUBCOQNV-YJYMSZOUSA-N 1 0 359.426 3.581 20 5 FHBDRO CC[N@@H+]1CCC[C@@H](CN(C)c2ccc([N+](=O)[O-])c(C)c2)[C@@H]1c1cnn(C)c1 ZINC000509598572 944761574 /nfs/dbraw/zinc/76/15/74/944761574.db2.gz BSLDZLXWYNSJFC-OXJNMPFZSA-N 1 0 371.485 3.546 20 5 FHBDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000506947111 944787574 /nfs/dbraw/zinc/78/75/74/944787574.db2.gz SKDZJATXMVPWPX-KHDYIWLOSA-N 1 0 373.840 3.871 20 5 FHBDRO C[NH+](C)CCCCNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000426769282 944788330 /nfs/dbraw/zinc/78/83/30/944788330.db2.gz HMPKVSKQSQJKMO-UHFFFAOYSA-N 1 0 373.478 3.818 20 5 FHBDRO C[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@@H+]1CCCC[C@H]1C ZINC000437933601 944811758 /nfs/dbraw/zinc/81/17/58/944811758.db2.gz PPHIJZNIOYNVMB-CVEARBPZSA-N 1 0 374.485 3.532 20 5 FHBDRO Cc1ccccc1-n1cc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000518826318 944836439 /nfs/dbraw/zinc/83/64/39/944836439.db2.gz YIKIECYPACYCIX-UHFFFAOYSA-N 1 0 365.437 3.596 20 5 FHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)c1 ZINC000500425789 944875598 /nfs/dbraw/zinc/87/55/98/944875598.db2.gz FHPVLRZAOMNBHR-OAHLLOKOSA-N 1 0 363.211 3.971 20 5 FHBDRO Cc1ccccc1[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000507179747 945010639 /nfs/dbraw/zinc/01/06/39/945010639.db2.gz HTKCHEOATPUHGB-HOTGVXAUSA-N 1 0 353.422 3.720 20 5 FHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@](O)(C4CC4)C3)o2)c(Cl)c1 ZINC000426524973 945055095 /nfs/dbraw/zinc/05/50/95/945055095.db2.gz QKTQILVVMVCFKS-SFHVURJKSA-N 1 0 362.813 3.855 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000106862476 945418825 /nfs/dbraw/zinc/41/88/25/945418825.db2.gz KIAIRRRDHQJKEE-AWEZNQCLSA-N 1 0 369.421 3.551 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCc2ccccc2C1 ZINC000106888507 945424493 /nfs/dbraw/zinc/42/44/93/945424493.db2.gz QUXDLBFKZWQFGQ-UHFFFAOYSA-N 1 0 353.422 3.680 20 5 FHBDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000507697628 945461281 /nfs/dbraw/zinc/46/12/81/945461281.db2.gz KMDIKMHVPJBVEZ-DZGCQCFKSA-N 1 0 360.385 3.729 20 5 FHBDRO CC[NH+](CC)[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000440412060 945514442 /nfs/dbraw/zinc/51/44/42/945514442.db2.gz UQPWTAIQCVKVPU-LJQANCHMSA-N 1 0 353.422 3.567 20 5 FHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3nccs3)CC1)CCC2 ZINC000281585601 945779497 /nfs/dbraw/zinc/77/94/97/945779497.db2.gz LINBPRWVHMYQQO-KRWDZBQOSA-N 1 0 358.467 3.687 20 5 FHBDRO CC[NH+](CC)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccsc1 ZINC000052877937 946015949 /nfs/dbraw/zinc/01/59/49/946015949.db2.gz XQIRTVMWOAETML-CYBMUJFWSA-N 1 0 353.469 3.531 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487354427 946096410 /nfs/dbraw/zinc/09/64/10/946096410.db2.gz MEHHIFSZBVSROT-AEFFLSMTSA-N 1 0 367.449 3.544 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000520094803 946110505 /nfs/dbraw/zinc/11/05/05/946110505.db2.gz RDSQSOZAXMSCIK-INIZCTEOSA-N 1 0 371.412 3.893 20 5 FHBDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000444243414 946118050 /nfs/dbraw/zinc/11/80/50/946118050.db2.gz PVRAIWVYEYNBFU-QGZVFWFLSA-N 1 0 355.438 3.795 20 5 FHBDRO CC(C)Cc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC001167779216 946147165 /nfs/dbraw/zinc/14/71/65/946147165.db2.gz QKFJWHGIIGULOC-SFHVURJKSA-N 1 0 354.454 3.875 20 5 FHBDRO CC(C)Cc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC001167779214 946157787 /nfs/dbraw/zinc/15/77/87/946157787.db2.gz QKFJWHGIIGULOC-GOSISDBHSA-N 1 0 354.454 3.875 20 5 FHBDRO CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000438485023 946270635 /nfs/dbraw/zinc/27/06/35/946270635.db2.gz CKSOVYSFEMKRKB-STQMWFEESA-N 1 0 374.466 3.777 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](CO)CC3CCC3)o2)c([N+](=O)[O-])c1 ZINC000475497483 946437754 /nfs/dbraw/zinc/43/77/54/946437754.db2.gz UBBWCBXEICEPJO-CQSZACIVSA-N 1 0 360.410 3.504 20 5 FHBDRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000441344597 946492883 /nfs/dbraw/zinc/49/28/83/946492883.db2.gz IWMLTNZXGFFXHP-HEFCMCLBSA-N 1 0 374.412 3.557 20 5 FHBDRO COc1cc(C[NH2+][C@@H]2CCCc3ccc(F)cc32)c([N+](=O)[O-])cc1OC ZINC000475500360 946500641 /nfs/dbraw/zinc/50/06/41/946500641.db2.gz FDMHMILYAWNXAW-MRXNPFEDSA-N 1 0 360.385 3.918 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+](CCO)[C@H]2CCCSC2)o1 ZINC000475510254 946522634 /nfs/dbraw/zinc/52/26/34/946522634.db2.gz NDVCTOAEKWFCCL-AWEZNQCLSA-N 1 0 362.451 3.545 20 5 FHBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000475155680 946531458 /nfs/dbraw/zinc/53/14/58/946531458.db2.gz OHFANWQZYBARLV-NUEKZKHPSA-N 1 0 363.458 3.735 20 5 FHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441395415 946549895 /nfs/dbraw/zinc/54/98/95/946549895.db2.gz MLQQQZSJKVFQJN-OXQOHEQNSA-N 1 0 373.497 3.831 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)c3cn(C)nc3C)o2)c([N+](=O)[O-])c1 ZINC000237438544 946552007 /nfs/dbraw/zinc/55/20/07/946552007.db2.gz AMZDBWRVPQBBIA-LBPRGKRZSA-N 1 0 370.409 3.756 20 5 FHBDRO CCS[C@H]1CCCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000441396867 946554152 /nfs/dbraw/zinc/55/41/52/946554152.db2.gz DLBGYARSFPGGHQ-HNNXBMFYSA-N 1 0 354.472 3.590 20 5 FHBDRO COc1ccc(OCC[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000441400617 946556932 /nfs/dbraw/zinc/55/69/32/946556932.db2.gz WWSNLTVYHAGFNT-DOTOQJQBSA-N 1 0 356.422 3.860 20 5 FHBDRO Cc1cc(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000487386681 946563966 /nfs/dbraw/zinc/56/39/66/946563966.db2.gz HDOGKKOBVISNMI-QFBILLFUSA-N 1 0 367.449 3.544 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001126143143 946619201 /nfs/dbraw/zinc/61/92/01/946619201.db2.gz QPJJXAQZEQNBEN-UHFFFAOYSA-N 1 0 359.470 3.548 20 5 FHBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000475569920 946689860 /nfs/dbraw/zinc/68/98/60/946689860.db2.gz YHAVCDRZNMAZBQ-VXGBXAGGSA-N 1 0 358.385 3.773 20 5 FHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCc1ccccc1F ZINC000475575580 946722453 /nfs/dbraw/zinc/72/24/53/946722453.db2.gz RSNGYETUARQFQS-AWEZNQCLSA-N 1 0 359.401 3.673 20 5 FHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000151978091 946733001 /nfs/dbraw/zinc/73/30/01/946733001.db2.gz IWQNGNZPJUFJLI-KRWDZBQOSA-N 1 0 373.478 3.870 20 5 FHBDRO COC(=O)COc1ccc(C[N@H+](C)[C@@H](C)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000475580873 946746006 /nfs/dbraw/zinc/74/60/06/946746006.db2.gz GSBAALDLMLQGBG-HNNXBMFYSA-N 1 0 372.421 3.648 20 5 FHBDRO CSc1cccc(C(=O)Nc2ccc(C[NH+](C)C)cc2C)c1[N+](=O)[O-] ZINC000909601011 946747201 /nfs/dbraw/zinc/74/72/01/946747201.db2.gz PTDSHDAGOIYPEQ-UHFFFAOYSA-N 1 0 359.451 3.939 20 5 FHBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@](C)(OC)C3)o2)c([N+](=O)[O-])c1 ZINC000475269435 946785019 /nfs/dbraw/zinc/78/50/19/946785019.db2.gz LNNQPDZRQKUZDK-LJQANCHMSA-N 1 0 360.410 3.864 20 5 FHBDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)CCO2 ZINC000475290045 946829134 /nfs/dbraw/zinc/82/91/34/946829134.db2.gz DZDOLGIFHGLJRA-IFXJQAMLSA-N 1 0 374.462 3.703 20 5 FHBDRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000129763850 946907990 /nfs/dbraw/zinc/90/79/90/946907990.db2.gz LNBHZBMWFZWFBW-QAPCUYQASA-N 1 0 373.478 3.778 20 5 FHBDRO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000458886791 946916911 /nfs/dbraw/zinc/91/69/11/946916911.db2.gz IRZPMMPAWDTFDK-INIZCTEOSA-N 1 0 362.474 3.563 20 5 FHBDRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444649437 947070717 /nfs/dbraw/zinc/07/07/17/947070717.db2.gz JLRMIIOHTFVTFX-GOEBONIOSA-N 1 0 350.422 3.924 20 5 FHBDRO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCCC[C@@H]1C ZINC000444675379 947100453 /nfs/dbraw/zinc/10/04/53/947100453.db2.gz LXEPIGKOAFYVTH-HOCLYGCPSA-N 1 0 361.442 3.793 20 5 FHBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc2ncsc2c1 ZINC000444690740 947115399 /nfs/dbraw/zinc/11/53/99/947115399.db2.gz UZFRRUPVABDDBT-JTQLQIEISA-N 1 0 353.407 3.932 20 5 FHBDRO COC1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCC(C)CC1 ZINC000475439808 947120719 /nfs/dbraw/zinc/12/07/19/947120719.db2.gz LUFOQIVHCNBMBT-UHFFFAOYSA-N 1 0 372.469 3.680 20 5 FHBDRO CC(C)O[C@H](C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000428387521 947440842 /nfs/dbraw/zinc/44/08/42/947440842.db2.gz YLJQXMYMCMJZTK-IEBWSBKVSA-N 1 0 370.453 3.642 20 5 FHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441451898 947490749 /nfs/dbraw/zinc/49/07/49/947490749.db2.gz WLRHXXAYNMQQGT-KRWDZBQOSA-N 1 0 361.486 3.690 20 5 FHBDRO CCS[C@@H]1CC[C@H]([N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072837718 947569947 /nfs/dbraw/zinc/56/99/47/947569947.db2.gz FUGNIRBMROGDQI-LSDHHAIUSA-N 1 0 365.499 3.838 20 5 FHBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072837722 947570568 /nfs/dbraw/zinc/57/05/68/947570568.db2.gz FUGNIRBMROGDQI-HUUCEWRRSA-N 1 0 365.499 3.838 20 5 FHBDRO CC[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000165150579 947679569 /nfs/dbraw/zinc/67/95/69/947679569.db2.gz LEUJHMXGIOGKJG-LJQANCHMSA-N 1 0 355.438 3.580 20 5 FHBDRO CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000166054098 948088694 /nfs/dbraw/zinc/08/86/94/948088694.db2.gz GMZKDVUXUAXDCB-HNNXBMFYSA-N 1 0 361.486 3.981 20 5 FHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000184665861 948119021 /nfs/dbraw/zinc/11/90/21/948119021.db2.gz YIMBRTJIXGWIHU-LJQANCHMSA-N 1 0 369.465 3.542 20 5 FHBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000054032581 948229536 /nfs/dbraw/zinc/22/95/36/948229536.db2.gz IBKRLZITOFSUJE-UHFFFAOYSA-N 1 0 361.467 3.737 20 5 FHBDRO COc1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000512054403 948316909 /nfs/dbraw/zinc/31/69/09/948316909.db2.gz UNKPWSKXYISFPI-UHFFFAOYSA-N 1 0 365.227 3.698 20 5 FHBDRO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000512082677 948380964 /nfs/dbraw/zinc/38/09/64/948380964.db2.gz KNQCKRJBQWRQEF-SFHVURJKSA-N 1 0 371.437 3.688 20 5 FHBDRO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000512082676 948381506 /nfs/dbraw/zinc/38/15/06/948381506.db2.gz KNQCKRJBQWRQEF-GOSISDBHSA-N 1 0 371.437 3.688 20 5 FHBDRO COc1ccc([C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1O ZINC000574729428 948399436 /nfs/dbraw/zinc/39/94/36/948399436.db2.gz SBFGTAIKFHQWNI-GFCCVEGCSA-N 1 0 355.394 3.684 20 5 FHBDRO CN(C(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000053617782 221047050 /nfs/dbraw/zinc/04/70/50/221047050.db2.gz ZMSKQYMTSQPGJS-LJQANCHMSA-N 1 0 355.438 3.935 20 5 FHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000481406687 567904383 /nfs/dbraw/zinc/90/43/83/567904383.db2.gz PLJGDRPEMVINMY-CYBMUJFWSA-N 1 0 361.829 3.798 20 5 FHBDRO C[C@H](C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)c1ccncc1 ZINC000602562235 567991799 /nfs/dbraw/zinc/99/17/99/567991799.db2.gz ITJYJAJOQDGXAK-SECBINFHSA-N 1 0 356.245 3.707 20 5 FHBDRO O=c1c(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cccn1C(F)F ZINC000602686473 568011378 /nfs/dbraw/zinc/01/13/78/568011378.db2.gz VMOSNNUVPQFMPE-AWEZNQCLSA-N 1 0 363.364 3.531 20 5 FHBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCC4(CC4(F)F)CC3)CC2)cn1 ZINC000602718731 568014939 /nfs/dbraw/zinc/01/49/39/568014939.db2.gz KDNVLRFGOGMDFH-UHFFFAOYSA-N 1 0 366.412 3.516 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000568532987 568047878 /nfs/dbraw/zinc/04/78/78/568047878.db2.gz MJUVOMLWLLMYJZ-ZDUSSCGKSA-N 1 0 374.268 3.593 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000481571046 568057869 /nfs/dbraw/zinc/05/78/69/568057869.db2.gz LHAYSZUCFSWYMA-YJBOKZPZSA-N 1 0 355.438 3.773 20 5 FHBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(N2CCCNC2=O)cc1 ZINC000291200078 568075817 /nfs/dbraw/zinc/07/58/17/568075817.db2.gz MYDPPFUDEYNGEV-CABCVRRESA-N 1 0 368.437 3.926 20 5 FHBDRO COc1cccc([C@@H](CNc2nc(C)ccc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000481708276 568090421 /nfs/dbraw/zinc/09/04/21/568090421.db2.gz ADNZOUKNCUVDHJ-GOSISDBHSA-N 1 0 356.426 3.556 20 5 FHBDRO C[NH+](C)[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000603871824 568174312 /nfs/dbraw/zinc/17/43/12/568174312.db2.gz WDFNRCAVASPVGK-SFHVURJKSA-N 1 0 354.385 3.997 20 5 FHBDRO Cc1c([C@H](C)[NH2+]CCc2ccn(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000482030485 568232871 /nfs/dbraw/zinc/23/28/71/568232871.db2.gz GBSDKKDBMVHOIK-INIZCTEOSA-N 1 0 350.422 3.982 20 5 FHBDRO O=[N+]([O-])c1ccc2nc(NCC3([NH+]4CCSCC4)CCCC3)ccc2c1 ZINC000302941393 568242668 /nfs/dbraw/zinc/24/26/68/568242668.db2.gz LHJLJQOHBZNVAI-UHFFFAOYSA-N 1 0 372.494 3.917 20 5 FHBDRO CNC(=O)C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000482065269 568253482 /nfs/dbraw/zinc/25/34/82/568253482.db2.gz CUTMRRGTZHPOKO-OALUTQOASA-N 1 0 367.449 3.784 20 5 FHBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC3(CCC3)[C@H]2c2ccccc2)c1 ZINC000453023920 568255505 /nfs/dbraw/zinc/25/55/05/568255505.db2.gz SBTLSFZKNYHGDU-UYAOXDASSA-N 1 0 368.433 3.562 20 5 FHBDRO Cc1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])ccc1-n1cncn1 ZINC000291706029 568278283 /nfs/dbraw/zinc/27/82/83/568278283.db2.gz KRDDLQKBUFCXCE-UHFFFAOYSA-N 1 0 351.410 3.509 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000604484471 568300965 /nfs/dbraw/zinc/30/09/65/568300965.db2.gz RFWMLRFVLYXINA-LJQANCHMSA-N 1 0 369.421 3.775 20 5 FHBDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000569219206 568313444 /nfs/dbraw/zinc/31/34/44/568313444.db2.gz ZEPDPWKNXBVGNP-MZMPOYLWSA-N 1 0 368.433 3.618 20 5 FHBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000569273464 568324824 /nfs/dbraw/zinc/32/48/24/568324824.db2.gz MVQQALXCBHHSAT-UHFFFAOYSA-N 1 0 365.499 3.655 20 5 FHBDRO O=C(CN1CCc2ccc([N+](=O)[O-])cc2C1)C12CC3CC(CC(C3)C1)C2 ZINC000570236905 568465039 /nfs/dbraw/zinc/46/50/39/568465039.db2.gz BQJYHPJSXNOTHZ-UHFFFAOYSA-N 1 0 354.450 3.738 20 5 FHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000570816825 568536308 /nfs/dbraw/zinc/53/63/08/568536308.db2.gz WPBPHXRUDSLSJH-SCTDSRPQSA-N 1 0 360.360 3.980 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccc2c(c1)OCCCO2)C1CC1 ZINC000482259897 568538777 /nfs/dbraw/zinc/53/87/77/568538777.db2.gz HSWAJLXUWSMCQC-SFHVURJKSA-N 1 0 368.433 3.867 20 5 FHBDRO COCOc1ccc(OC)cc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000120403685 568540177 /nfs/dbraw/zinc/54/01/77/568540177.db2.gz SWZBVTOQOLZLPH-AWEZNQCLSA-N 1 0 360.410 3.745 20 5 FHBDRO COC[C@]1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)OCCc2ccccc21 ZINC000570889116 568620571 /nfs/dbraw/zinc/62/05/71/568620571.db2.gz JROOOTLGDWQAAN-IERDGZPVSA-N 1 0 370.449 3.668 20 5 FHBDRO CC[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820926897 607088177 /nfs/dbraw/zinc/08/81/77/607088177.db2.gz XIHIMUAAKKXDRL-SJKOYZFVSA-N 1 0 352.398 3.577 20 5 FHBDRO Cc1c(C)c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ncc1[N+](=O)[O-] ZINC001164621039 719083140 /nfs/dbraw/zinc/08/31/40/719083140.db2.gz GLTZIUXGEJYSQZ-QUCCMNQESA-N 1 0 366.465 3.707 20 5 FHBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[NH+](C4CCCC4)CC3)c2c1 ZINC001165032355 721860170 /nfs/dbraw/zinc/86/01/70/721860170.db2.gz RHMVMFCFNCTWTG-UHFFFAOYSA-N 1 0 360.845 3.861 20 5 FHBDRO CC[NH+](CC)C1CCN(c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)nn2)CC1 ZINC001165054116 722004558 /nfs/dbraw/zinc/00/45/58/722004558.db2.gz ZPVNXBCKSVQIDA-UHFFFAOYSA-N 1 0 369.469 3.671 20 5 FHBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994854 722192144 /nfs/dbraw/zinc/19/21/44/722192144.db2.gz QHAUADWYKPRFAP-FQEVSTJZSA-N 1 0 370.428 3.682 20 5 FHBDRO Cc1cnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC001164992848 722192451 /nfs/dbraw/zinc/19/24/51/722192451.db2.gz BFLSODHNXDDRAT-HXUWFJFHSA-N 1 0 370.428 3.682 20 5 FHBDRO O=[N+]([O-])c1cc(F)cnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995346 722195935 /nfs/dbraw/zinc/19/59/35/722195935.db2.gz UWIKRXLHSPEMNL-IBGZPJMESA-N 1 0 374.391 3.513 20 5 FHBDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000582992558 936349558 /nfs/dbraw/zinc/34/95/58/936349558.db2.gz GSANUKFMCFIHPQ-INIZCTEOSA-N 1 0 371.437 3.593 20 5 FHBDRO CC(C)[N@H+](C)CC1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000564701392 936355557 /nfs/dbraw/zinc/35/55/57/936355557.db2.gz XYFDZTOMDUYINI-UHFFFAOYSA-N 1 0 360.380 3.565 20 5 FHBDRO CCOc1c(OC)cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1OC ZINC000582991806 936350717 /nfs/dbraw/zinc/35/07/17/936350717.db2.gz GVDXSJSRLYDNHY-UHFFFAOYSA-N 1 0 374.437 3.685 20 5 FHBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])c2C1 ZINC000162182898 936353396 /nfs/dbraw/zinc/35/33/96/936353396.db2.gz GPZQIETYMBIFDI-UHFFFAOYSA-N 1 0 357.385 3.958 20 5 FHBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000178746640 936379986 /nfs/dbraw/zinc/37/99/86/936379986.db2.gz GXCHBLSZLXCREV-INIZCTEOSA-N 1 0 368.355 3.649 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000079557410 937133723 /nfs/dbraw/zinc/13/37/23/937133723.db2.gz UJWGOGGQRDSHBE-AEFFLSMTSA-N 1 0 367.449 3.686 20 5 FHBDRO CC1CC[NH+]([C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000027573500 937138001 /nfs/dbraw/zinc/13/80/01/937138001.db2.gz HZFSXJDNMQJXDK-KRWDZBQOSA-N 1 0 373.478 3.859 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3COc4ccccc43)cs2)c1 ZINC000579757860 927308236 /nfs/dbraw/zinc/30/82/36/927308236.db2.gz LBCMNDOZLARELS-AWEZNQCLSA-N 1 0 367.430 3.984 20 5 FHBDRO C[C@@H]1C[C@@H](CCNC(=O)c2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000510083415 927939397 /nfs/dbraw/zinc/93/93/97/927939397.db2.gz HRBWTPGIMDQVAC-SJLPKXTDSA-N 1 0 367.449 3.625 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000120303195 928047164 /nfs/dbraw/zinc/04/71/64/928047164.db2.gz RZRQJNIGOZFDRA-HNNXBMFYSA-N 1 0 362.455 3.698 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1CNC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000430210720 928137501 /nfs/dbraw/zinc/13/75/01/928137501.db2.gz VKORHRVLDKKJCJ-UHFFFAOYSA-N 1 0 357.454 3.604 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([S@@](=O)CC)C2)cc1[N+](=O)[O-] ZINC000154154033 928265194 /nfs/dbraw/zinc/26/51/94/928265194.db2.gz YWEQGWQNEFUFHQ-PGFQFVBMSA-N 1 0 368.499 3.724 20 5 FHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000430232317 928349685 /nfs/dbraw/zinc/34/96/85/928349685.db2.gz MBCKHMSVGQEDIY-FUHWJXTLSA-N 1 0 362.813 3.877 20 5 FHBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ncc(Br)cc1F ZINC000467982022 928742873 /nfs/dbraw/zinc/74/28/73/928742873.db2.gz UXLHNAWKXXPPNX-JTQLQIEISA-N 1 0 368.206 3.785 20 5 FHBDRO COc1ccc(CN(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000509548448 928929601 /nfs/dbraw/zinc/92/96/01/928929601.db2.gz HNJUWKGLLQIVMR-IBGZPJMESA-N 1 0 369.465 3.700 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000133752806 928944869 /nfs/dbraw/zinc/94/48/69/928944869.db2.gz DETRMDIZENPYQQ-MSOLQXFVSA-N 1 0 353.422 3.768 20 5 FHBDRO CSc1ccc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000609062885 928974042 /nfs/dbraw/zinc/97/40/42/928974042.db2.gz LFLCZKPHVRQYJG-UHFFFAOYSA-N 1 0 359.451 3.673 20 5 FHBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000609187691 929061122 /nfs/dbraw/zinc/06/11/22/929061122.db2.gz HIVYXJWITCRZHF-UHFFFAOYSA-N 1 0 370.453 3.752 20 5 FHBDRO CS[C@H]1CCCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000134576826 929069564 /nfs/dbraw/zinc/06/95/64/929069564.db2.gz ZKWGSLHECFMAJR-WFASDCNBSA-N 1 0 362.455 3.923 20 5 FHBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@@H]1CCCc1ccccc1 ZINC000535628475 929310546 /nfs/dbraw/zinc/31/05/46/929310546.db2.gz WBSXMXFDXSQESX-LJQANCHMSA-N 1 0 369.465 3.634 20 5 FHBDRO CCOc1cc(NC[C@@H](c2ccccc2OC)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000471241509 929595170 /nfs/dbraw/zinc/59/51/70/929595170.db2.gz QKTQPKCPFKDDAW-KRWDZBQOSA-N 1 0 359.426 3.717 20 5 FHBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275661578 929765905 /nfs/dbraw/zinc/76/59/05/929765905.db2.gz OBGMBHZHGXBEJM-CQSZACIVSA-N 1 0 373.478 3.818 20 5 FHBDRO COc1ccc(C)cc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000610370990 930174934 /nfs/dbraw/zinc/17/49/34/930174934.db2.gz KVVGKZYCAPZVRO-UHFFFAOYSA-N 1 0 356.422 3.955 20 5 FHBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000583388506 937394103 /nfs/dbraw/zinc/39/41/03/937394103.db2.gz KIYGGWLXRWAKSV-HNNXBMFYSA-N 1 0 371.462 3.570 20 5 FHBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N1c2ccccc2C[C@@H]1C ZINC000583390921 937398168 /nfs/dbraw/zinc/39/81/68/937398168.db2.gz FGOLROAQOLUINA-SUNYJGFJSA-N 1 0 365.433 3.538 20 5 FHBDRO O=C(C[N@@H+]1CCC[C@H]1C1CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000610390812 930304848 /nfs/dbraw/zinc/30/48/48/930304848.db2.gz FRPAXEIHTCCEFE-INIZCTEOSA-N 1 0 372.450 3.531 20 5 FHBDRO C[C@@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000580273546 930428907 /nfs/dbraw/zinc/42/89/07/930428907.db2.gz CSRBORKKQZGQJF-CRAIPNDOSA-N 1 0 371.437 3.635 20 5 FHBDRO C[C@@H]([NH2+][C@H](Cc1nccn1C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610422084 930498763 /nfs/dbraw/zinc/49/87/63/930498763.db2.gz XEULFMMEMJFTLS-DNVCBOLYSA-N 1 0 350.422 3.963 20 5 FHBDRO Cc1c([C@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000165512740 930538748 /nfs/dbraw/zinc/53/87/48/930538748.db2.gz HBLJFRZTMTVIMG-ZDUSSCGKSA-N 1 0 361.829 3.637 20 5 FHBDRO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000134245216 930767600 /nfs/dbraw/zinc/76/76/00/930767600.db2.gz QRQBNUALGGTREC-KZULUSFZSA-N 1 0 353.378 3.560 20 5 FHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](CO)C2CC2)ccc1Oc1ccc(F)cc1 ZINC000580679621 931006423 /nfs/dbraw/zinc/00/64/23/931006423.db2.gz GSYPMNQTOSMQED-OAHLLOKOSA-N 1 0 360.385 3.634 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(N3CCc4ccccc43)CC2)cc1 ZINC000146212297 931046146 /nfs/dbraw/zinc/04/61/46/931046146.db2.gz CMEPAPZCHUJVSL-UHFFFAOYSA-N 1 0 351.450 3.664 20 5 FHBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000728305825 931079791 /nfs/dbraw/zinc/07/97/91/931079791.db2.gz FBIYVLWUYIMDQO-KAMYIIQDSA-N 1 0 367.449 3.766 20 5 FHBDRO CC1(C(=O)Nc2cc3oc4cc(=[NH2+])ccc-4nc3c3ccccc23)COC1 ZINC001143388900 931571970 /nfs/dbraw/zinc/57/19/70/931571970.db2.gz ZTXINKZSFDAPMO-UHFFFAOYSA-N 1 0 359.385 3.540 20 5 FHBDRO CC(C)Oc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000581171248 931638524 /nfs/dbraw/zinc/63/85/24/931638524.db2.gz SPUZQBXAAXPTGQ-MOPGFXCFSA-N 1 0 372.469 3.895 20 5 FHBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000477045902 931741956 /nfs/dbraw/zinc/74/19/56/931741956.db2.gz FZCARQMPEVTKBD-IFXJQAMLSA-N 1 0 372.425 3.598 20 5 FHBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000157014290 931774435 /nfs/dbraw/zinc/77/44/35/931774435.db2.gz CTSMVEIZGORGIU-AWEZNQCLSA-N 1 0 374.466 3.568 20 5 FHBDRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000157056087 931810351 /nfs/dbraw/zinc/81/03/51/931810351.db2.gz NOBOIPAQEVFPDG-ZIAGYGMSSA-N 1 0 355.394 3.963 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505499 932026669 /nfs/dbraw/zinc/02/66/69/932026669.db2.gz MRBMEFNETYRKEY-QGZVFWFLSA-N 1 0 373.384 3.518 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000477282039 932445211 /nfs/dbraw/zinc/44/52/11/932445211.db2.gz WIXQQJYBPVVIAP-FQEVSTJZSA-N 1 0 367.449 3.544 20 5 FHBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000126755069 932496907 /nfs/dbraw/zinc/49/69/07/932496907.db2.gz DEEGQIZOQGZOSI-UHFFFAOYSA-N 1 0 367.515 3.946 20 5 FHBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000477619368 932734871 /nfs/dbraw/zinc/73/48/71/932734871.db2.gz BSUBQTNRGBYVCM-LBPRGKRZSA-N 1 0 367.877 3.797 20 5 FHBDRO C/C(=C/C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000785071714 932834222 /nfs/dbraw/zinc/83/42/22/932834222.db2.gz XNTXJNRLVGMSLN-RNUYOQPASA-N 1 0 371.412 3.556 20 5 FHBDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000134661789 932836024 /nfs/dbraw/zinc/83/60/24/932836024.db2.gz HOIXBUXLJMBWCL-ZBFHGGJFSA-N 1 0 363.458 3.515 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000178201800 932842113 /nfs/dbraw/zinc/84/21/13/932842113.db2.gz RYCHXFMDRCQJLL-SNVBAGLBSA-N 1 0 367.327 3.610 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)n1 ZINC000178224990 932921124 /nfs/dbraw/zinc/92/11/24/932921124.db2.gz SMIZDAGHGGFEAR-INIZCTEOSA-N 1 0 370.453 3.610 20 5 FHBDRO CCc1ccc(C(=O)NCc2cccc(C[N@@H+](C)CC)c2)cc1[N+](=O)[O-] ZINC000471791227 932933960 /nfs/dbraw/zinc/93/39/60/932933960.db2.gz IGLBKBRMUFSSHE-UHFFFAOYSA-N 1 0 355.438 3.539 20 5 FHBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000135343530 932976288 /nfs/dbraw/zinc/97/62/88/932976288.db2.gz BMGJTQDRCSBKDS-ZDUSSCGKSA-N 1 0 359.401 3.593 20 5 FHBDRO CN(C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000187571314 933005275 /nfs/dbraw/zinc/00/52/75/933005275.db2.gz MUAOBHYTJXVMCF-UHFFFAOYSA-N 1 0 367.449 3.860 20 5 FHBDRO COC(=O)COc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000544006684 933187229 /nfs/dbraw/zinc/18/72/29/933187229.db2.gz PDWPREKWGNQILM-UHFFFAOYSA-N 1 0 372.421 3.557 20 5 FHBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000430904366 933386711 /nfs/dbraw/zinc/38/67/11/933386711.db2.gz QVCQHYGYJWIGSC-UHFFFAOYSA-N 1 0 372.469 3.564 20 5 FHBDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000471924741 933798209 /nfs/dbraw/zinc/79/82/09/933798209.db2.gz WNQHAAPRIZKPEX-UHFFFAOYSA-N 1 0 359.426 3.740 20 5 FHBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCCCO1 ZINC000610717462 933930182 /nfs/dbraw/zinc/93/01/82/933930182.db2.gz WUZLOJGFDLATST-HNNXBMFYSA-N 1 0 358.385 3.881 20 5 FHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccsc1 ZINC000510891150 933963928 /nfs/dbraw/zinc/96/39/28/933963928.db2.gz BOOSKPCGGPAUSN-KRWDZBQOSA-N 1 0 361.467 3.778 20 5 FHBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c(F)c1 ZINC000134812824 934338320 /nfs/dbraw/zinc/33/83/20/934338320.db2.gz JCYFSBAJHLSNBO-QFBILLFUSA-N 1 0 362.376 3.961 20 5 FHBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000934022198 934438211 /nfs/dbraw/zinc/43/82/11/934438211.db2.gz UWQZIXZDXKYBGK-UXHICEINSA-N 1 0 371.481 3.612 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCN1Cc2ccccc2C1)C1CC1 ZINC000610805591 934439918 /nfs/dbraw/zinc/43/99/18/934439918.db2.gz SESWYCYIHCXYDI-HXUWFJFHSA-N 1 0 351.450 3.521 20 5 FHBDRO Cc1cc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)ccc1C[NH+](C)C ZINC000458273529 934575563 /nfs/dbraw/zinc/57/55/63/934575563.db2.gz XATNUQYVXZTIML-UHFFFAOYSA-N 1 0 369.421 3.566 20 5 FHBDRO C[C@H](CCSc1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000610899977 934583535 /nfs/dbraw/zinc/58/35/35/934583535.db2.gz ABGGVKJEBXSKFI-MRXNPFEDSA-N 1 0 372.494 3.683 20 5 FHBDRO COc1ccc(C[NH2+]Cc2ccc(C)c(Br)c2)cc1[N+](=O)[O-] ZINC000611243512 934765066 /nfs/dbraw/zinc/76/50/66/934765066.db2.gz YKTKVLBBHXGUDX-UHFFFAOYSA-N 1 0 365.227 3.964 20 5 FHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000582013507 934773839 /nfs/dbraw/zinc/77/38/39/934773839.db2.gz OBKJQUHQWXSUQP-BSLVTKGXSA-N 1 0 352.434 3.728 20 5 FHBDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000510996779 934827641 /nfs/dbraw/zinc/82/76/41/934827641.db2.gz UOJRIXHUNXZIEQ-WBAXXEDZSA-N 1 0 354.454 3.707 20 5 FHBDRO C[NH2+]C(C)(C)CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000538357471 934833205 /nfs/dbraw/zinc/83/32/05/934833205.db2.gz IXNBBLYIHWZAGY-UHFFFAOYSA-N 1 0 358.398 3.507 20 5 FHBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000538792720 934904668 /nfs/dbraw/zinc/90/46/68/934904668.db2.gz FNWVOUBDELRHCA-MNOVXSKESA-N 1 0 362.348 3.775 20 5 FHBDRO Cc1cccc(CN(CC[NH+](C)C)C(=S)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000728449715 934998683 /nfs/dbraw/zinc/99/86/83/934998683.db2.gz MWIGHWSTEUWHMG-UHFFFAOYSA-N 1 0 372.494 3.664 20 5 FHBDRO CC[C@@H](c1ccccc1)[NH+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001167509547 935027524 /nfs/dbraw/zinc/02/75/24/935027524.db2.gz PAUVFLYHHSXOHY-NRFANRHFSA-N 1 0 369.465 3.743 20 5 FHBDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000119689741 935030100 /nfs/dbraw/zinc/03/01/00/935030100.db2.gz ANBOTQKGNMLOHR-AEFFLSMTSA-N 1 0 355.438 3.923 20 5 FHBDRO CC(=O)c1cc(N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000383089975 945073990 /nfs/dbraw/zinc/07/39/90/945073990.db2.gz QTNQCEBWRVTNRN-MRXNPFEDSA-N 1 0 367.449 3.898 20 5 FHBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000539254708 935118502 /nfs/dbraw/zinc/11/85/02/935118502.db2.gz RCFISNJMGNEZHB-LSDHHAIUSA-N 1 0 355.438 3.878 20 5 FHBDRO COc1cccc(NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1[N+](=O)[O-] ZINC000582020391 935134917 /nfs/dbraw/zinc/13/49/17/935134917.db2.gz ICXMWBMQIQPDDX-UHFFFAOYSA-N 1 0 371.437 3.689 20 5 FHBDRO C[C@H](c1ccncc1)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000091989727 935204121 /nfs/dbraw/zinc/20/41/21/935204121.db2.gz RZIQDPJSSATBFN-CQSZACIVSA-N 1 0 352.394 3.880 20 5 FHBDRO CC(C)c1ccccc1OC[C@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511073658 935250422 /nfs/dbraw/zinc/25/04/22/935250422.db2.gz PZDQPECXKXNTFV-GOSISDBHSA-N 1 0 372.465 3.632 20 5 FHBDRO CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511074537 935267231 /nfs/dbraw/zinc/26/72/31/935267231.db2.gz VHAHWHOQIQMTPZ-FQEVSTJZSA-N 1 0 369.465 3.679 20 5 FHBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000439921231 945091577 /nfs/dbraw/zinc/09/15/77/945091577.db2.gz YOYYMXRKEANQNL-CJNGLKHVSA-N 1 0 372.400 3.691 20 5 FHBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccco1 ZINC000582201302 935396159 /nfs/dbraw/zinc/39/61/59/935396159.db2.gz NNQUBAWLGJRXMD-NHYWBVRUSA-N 1 0 365.817 3.700 20 5 FHBDRO C[C@H](NCc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381711592 935544436 /nfs/dbraw/zinc/54/44/36/935544436.db2.gz JIBHNNDYKMFFCG-MAUKXSAKSA-N 1 0 357.429 3.734 20 5 FHBDRO C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)CCc1ccccc1[N+](=O)[O-] ZINC000511121922 935681048 /nfs/dbraw/zinc/68/10/48/935681048.db2.gz GAZWPMBRAYJRGP-UHFFFAOYSA-N 1 0 361.829 3.751 20 5 FHBDRO C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[S@](=O)C1 ZINC000277599704 935704067 /nfs/dbraw/zinc/70/40/67/935704067.db2.gz VNUNYYQFMIYSFM-RZFZLAGVSA-N 1 0 364.492 3.524 20 5 FHBDRO C[NH+]1CCC(CCNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000277664832 935793286 /nfs/dbraw/zinc/79/32/86/935793286.db2.gz GWJOSGUVOFMSBC-UHFFFAOYSA-N 1 0 363.461 3.555 20 5 FHBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000480078835 935959192 /nfs/dbraw/zinc/95/91/92/935959192.db2.gz BEUMPFUQLRYTOQ-CRAIPNDOSA-N 1 0 371.485 3.832 20 5 FHBDRO CC(C)[NH+]1CCC(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000277811885 935970274 /nfs/dbraw/zinc/97/02/74/935970274.db2.gz PPMSVJWCKHMFAH-UHFFFAOYSA-N 1 0 363.461 3.696 20 5 FHBDRO C[C@@H]([NH2+]C(C)(C)CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000611711027 935988603 /nfs/dbraw/zinc/98/86/03/935988603.db2.gz QZQUAMPNCSKXJI-CQSZACIVSA-N 1 0 365.437 3.501 20 5 FHBDRO C[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178649356 936031703 /nfs/dbraw/zinc/03/17/03/936031703.db2.gz DDOKKKKEQVVBHZ-MRXNPFEDSA-N 1 0 363.417 3.656 20 5 FHBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCCCC3)CCOCC2)c2ccncc21 ZINC000076688370 936032929 /nfs/dbraw/zinc/03/29/29/936032929.db2.gz HFAUZLUQIHUBPD-UHFFFAOYSA-N 1 0 370.453 3.590 20 5 FHBDRO CCCOc1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000548761717 936050737 /nfs/dbraw/zinc/05/07/37/936050737.db2.gz BXGIPVMZAKESID-UHFFFAOYSA-N 1 0 357.410 3.502 20 5 FHBDRO C[NH+](C)CC1CCN(c2ccc(Nc3ccc([N+](=O)[O-])cn3)cc2)CC1 ZINC000077992357 936056077 /nfs/dbraw/zinc/05/60/77/936056077.db2.gz VXAHHEVKBREHNR-UHFFFAOYSA-N 1 0 355.442 3.511 20 5 FHBDRO C[C@@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178657971 936089291 /nfs/dbraw/zinc/08/92/91/936089291.db2.gz QXWWYUJORGNLMZ-MRXNPFEDSA-N 1 0 367.449 3.798 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000178681673 936173469 /nfs/dbraw/zinc/17/34/69/936173469.db2.gz POAWLTMAKRLTRA-IKGGRYGDSA-N 1 0 369.465 3.862 20 5 FHBDRO Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178684300 936205685 /nfs/dbraw/zinc/20/56/85/936205685.db2.gz IJAZYVDFZGFLLV-HZPDHXFCSA-N 1 0 355.438 3.567 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000178690591 936207146 /nfs/dbraw/zinc/20/71/46/936207146.db2.gz RIVMUVJABRSDDA-LSDHHAIUSA-N 1 0 373.428 3.740 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000178691583 936208314 /nfs/dbraw/zinc/20/83/14/936208314.db2.gz CFHALJNWSZTMMQ-NEPJUHHUSA-N 1 0 363.364 3.859 20 5 FHBDRO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178691652 936208818 /nfs/dbraw/zinc/20/88/18/936208818.db2.gz QZBRDUZQLAVTGH-HUUCEWRRSA-N 1 0 371.437 3.980 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000178689166 936210962 /nfs/dbraw/zinc/21/09/62/936210962.db2.gz CWTKBNPIYPNQBJ-KGLIPLIRSA-N 1 0 373.478 3.589 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000178689193 936211077 /nfs/dbraw/zinc/21/10/77/936211077.db2.gz CWTKBNPIYPNQBJ-ZIAGYGMSSA-N 1 0 373.478 3.589 20 5 FHBDRO Cc1cnc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000078658391 936227359 /nfs/dbraw/zinc/22/73/59/936227359.db2.gz RMXJXQNIPLKYHF-UHFFFAOYSA-N 1 0 354.454 3.647 20 5 FHBDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000466912735 938275145 /nfs/dbraw/zinc/27/51/45/938275145.db2.gz MZGYIXUQPCIMLZ-QGZVFWFLSA-N 1 0 366.417 3.856 20 5 FHBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000278278866 938276496 /nfs/dbraw/zinc/27/64/96/938276496.db2.gz YVHRHCJKYLQXHC-OAHLLOKOSA-N 1 0 363.461 3.650 20 5 FHBDRO O=[N+]([O-])c1cc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1Oc1ccc(F)cc1 ZINC000583500148 938281335 /nfs/dbraw/zinc/28/13/35/938281335.db2.gz OINBKAGCYVJBJM-HZPDHXFCSA-N 1 0 371.412 3.568 20 5 FHBDRO C[NH+](C)CCCOc1cccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC000255569043 938284035 /nfs/dbraw/zinc/28/40/35/938284035.db2.gz VWZHJGHWSOSJNB-XFXZXTDPSA-N 1 0 369.421 3.577 20 5 FHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000178957693 938357682 /nfs/dbraw/zinc/35/76/82/938357682.db2.gz LLSJTYHGMHJXRL-HNAYVOBHSA-N 1 0 356.422 3.861 20 5 FHBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C[NH+](C)C ZINC000583726940 938378980 /nfs/dbraw/zinc/37/89/80/938378980.db2.gz QBPPMGNXUZVQEP-MRXNPFEDSA-N 1 0 355.438 3.864 20 5 FHBDRO Cc1ccnc(OC2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000611802966 938579428 /nfs/dbraw/zinc/57/94/28/938579428.db2.gz BCULKPLAVKKMMZ-UHFFFAOYSA-N 1 0 371.437 3.611 20 5 FHBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000437864169 945197642 /nfs/dbraw/zinc/19/76/42/945197642.db2.gz AAFRNRUMWJMGHV-OAHLLOKOSA-N 1 0 370.453 3.603 20 5 FHBDRO O=C(CC[NH2+][C@@H]1CCCOc2ccc(F)cc21)Nc1ccccc1[N+](=O)[O-] ZINC000548825412 938713736 /nfs/dbraw/zinc/71/37/36/938713736.db2.gz ALRCEKHSUSAJEZ-OAHLLOKOSA-N 1 0 373.384 3.566 20 5 FHBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000077523896 938801922 /nfs/dbraw/zinc/80/19/22/938801922.db2.gz YUFKHPKIFDKTSQ-INIZCTEOSA-N 1 0 374.485 3.507 20 5 FHBDRO C[NH+](C)CCCOc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000108429929 945207536 /nfs/dbraw/zinc/20/75/36/945207536.db2.gz PITMCZJKQHCRMM-UHFFFAOYSA-N 1 0 358.398 3.569 20 5 FHBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCc1ccccc1 ZINC000053048041 938852203 /nfs/dbraw/zinc/85/22/03/938852203.db2.gz WJLZKUIZRZZVKU-CQSZACIVSA-N 1 0 352.394 3.880 20 5 FHBDRO Cc1c(NC(=O)CC[NH2+][C@@H](c2ccccc2)C2CC2)cccc1[N+](=O)[O-] ZINC000179102003 938894356 /nfs/dbraw/zinc/89/43/56/938894356.db2.gz GLUZOUBCDHZJHU-FQEVSTJZSA-N 1 0 353.422 3.973 20 5 FHBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000158849357 938898525 /nfs/dbraw/zinc/89/85/25/938898525.db2.gz UDJMDFMYFUWPNB-AUUYWEPGSA-N 1 0 351.410 3.977 20 5 FHBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCC[C@H]3O)o2)c([N+](=O)[O-])c1 ZINC000124280708 945215762 /nfs/dbraw/zinc/21/57/62/945215762.db2.gz DKRRMZVHTDAVCO-SCLBCKFNSA-N 1 0 360.410 3.504 20 5 FHBDRO COc1ccc(-c2ccc(C[N@H+](C)CCc3nccs3)o2)c([N+](=O)[O-])c1 ZINC000093843937 938930729 /nfs/dbraw/zinc/93/07/29/938930729.db2.gz FBGONIXMWVVWMW-UHFFFAOYSA-N 1 0 373.434 3.994 20 5 FHBDRO CC[N@H+](Cc1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1)C1CC1 ZINC000511824658 945218158 /nfs/dbraw/zinc/21/81/58/945218158.db2.gz SESHVJKXNJEOIM-UHFFFAOYSA-N 1 0 353.422 3.509 20 5 FHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000136085660 938991286 /nfs/dbraw/zinc/99/12/86/938991286.db2.gz BMWYYCJBXWVZOF-QAPCUYQASA-N 1 0 358.442 3.662 20 5 FHBDRO O=[N+]([O-])c1ccc2oc(CN[C@@H](C[NH+]3CCCC3)c3ccccc3)nc2c1 ZINC000611935211 938993031 /nfs/dbraw/zinc/99/30/31/938993031.db2.gz CVZGKTWPICLVAU-SFHVURJKSA-N 1 0 366.421 3.663 20 5 FHBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c2ccncc21 ZINC000480578698 938996044 /nfs/dbraw/zinc/99/60/44/938996044.db2.gz KLOPTHAIKLAPMC-HDICACEKSA-N 1 0 374.444 3.711 20 5 FHBDRO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](OC)CC3)o2)c([N+](=O)[O-])c1 ZINC000611984182 939013651 /nfs/dbraw/zinc/01/36/51/939013651.db2.gz PUQIKBNDNFLMFU-CQSZACIVSA-N 1 0 360.410 3.864 20 5 FHBDRO COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](OC)CC3)o2)c([N+](=O)[O-])c1 ZINC000611984180 939013671 /nfs/dbraw/zinc/01/36/71/939013671.db2.gz PUQIKBNDNFLMFU-AWEZNQCLSA-N 1 0 360.410 3.864 20 5 FHBDRO NC(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000102419689 939017805 /nfs/dbraw/zinc/01/78/05/939017805.db2.gz PBZOHNWYLHPQSH-UHFFFAOYSA-N 1 0 367.430 3.712 20 5 FHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)s1 ZINC000179370177 939105298 /nfs/dbraw/zinc/10/52/98/939105298.db2.gz DRYWOZRCRORVBH-CQSZACIVSA-N 1 0 374.462 3.908 20 5 FHBDRO Cc1cccc([C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)c1 ZINC000612172530 939188462 /nfs/dbraw/zinc/18/84/62/939188462.db2.gz ZDGBJWCLTJSYGM-INIZCTEOSA-N 1 0 354.406 3.759 20 5 FHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC[C@@H]1COc2ccccc2O1)C1CC1 ZINC000516776114 945244655 /nfs/dbraw/zinc/24/46/55/945244655.db2.gz RABRRKQMUYVCJD-MSOLQXFVSA-N 1 0 368.433 3.736 20 5 FHBDRO CC(=O)c1cc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000383102675 945245822 /nfs/dbraw/zinc/24/58/22/945245822.db2.gz CARDLVGZNILVID-MRXNPFEDSA-N 1 0 367.449 3.898 20 5 FHBDRO Cc1cccc(C2([NH2+]CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CCCC2)c1 ZINC000506450977 945265022 /nfs/dbraw/zinc/26/50/22/945265022.db2.gz AOPOHSLPKILPHX-UHFFFAOYSA-N 1 0 367.449 3.925 20 5 FHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188509261 939971611 /nfs/dbraw/zinc/97/16/11/939971611.db2.gz JZOODUAOWUAJIU-AWEZNQCLSA-N 1 0 373.419 3.780 20 5 FHBDRO CC[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000188509139 939971654 /nfs/dbraw/zinc/97/16/54/939971654.db2.gz NWVWLJMZYQOHFP-INIZCTEOSA-N 1 0 359.392 3.910 20 5 FHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188509282 939971685 /nfs/dbraw/zinc/97/16/85/939971685.db2.gz JZOODUAOWUAJIU-CQSZACIVSA-N 1 0 373.419 3.780 20 5 FHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000364694657 939983295 /nfs/dbraw/zinc/98/32/95/939983295.db2.gz HSXJNVNIMYPJIC-MMOPVJDHSA-N 1 0 368.481 3.984 20 5 FHBDRO CC(C)Oc1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000411283945 940027399 /nfs/dbraw/zinc/02/73/99/940027399.db2.gz LXVJMXLOZGLPBI-UHFFFAOYSA-N 1 0 357.410 3.696 20 5 FHBDRO COc1ccc(NC(=O)CC[N@H+]([C@@H](C)c2ccco2)C2CC2)c([N+](=O)[O-])c1 ZINC000411394514 940037381 /nfs/dbraw/zinc/03/73/81/940037381.db2.gz UGWIKPCTGUPOIT-ZDUSSCGKSA-N 1 0 373.409 3.751 20 5 FHBDRO CCc1ccc([C@@H](N[C@@H]2CC[N@H+](CC3CC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612410060 940054144 /nfs/dbraw/zinc/05/41/44/940054144.db2.gz YCVUASLUDRINSX-UTKZUKDTSA-N 1 0 369.465 3.914 20 5 FHBDRO CCc1ccc([C@H](N[C@H]2CC[N@H+](CC3CC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612410058 940054171 /nfs/dbraw/zinc/05/41/71/940054171.db2.gz YCVUASLUDRINSX-LAUBAEHRSA-N 1 0 369.465 3.914 20 5 FHBDRO O=[N+]([O-])c1c(NC2CC[NH+](CC3CCCCC3)CC2)nc2sccn21 ZINC000065946441 940088978 /nfs/dbraw/zinc/08/89/78/940088978.db2.gz AODFCAHAOBOWIC-UHFFFAOYSA-N 1 0 363.487 3.761 20 5 FHBDRO Cc1c(F)cccc1NC(=O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000411760199 940113250 /nfs/dbraw/zinc/11/32/50/940113250.db2.gz RKBIFSSVGDMRCS-UHFFFAOYSA-N 1 0 359.401 3.896 20 5 FHBDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000158935543 940114628 /nfs/dbraw/zinc/11/46/28/940114628.db2.gz RFRFXPPYVOOGAR-HOCLYGCPSA-N 1 0 371.437 3.542 20 5 FHBDRO CCC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)(C)C ZINC000411810641 940123744 /nfs/dbraw/zinc/12/37/44/940123744.db2.gz WDEKPBWDQRMXME-INIZCTEOSA-N 1 0 351.447 3.736 20 5 FHBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000411891973 940150871 /nfs/dbraw/zinc/15/08/71/940150871.db2.gz LSAZLTMAWWORGK-MRXNPFEDSA-N 1 0 357.410 3.673 20 5 FHBDRO CCC(CC)[C@@H](O)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000236687206 940152867 /nfs/dbraw/zinc/15/28/67/940152867.db2.gz HOCGIXKOBVZCMW-SFHVURJKSA-N 1 0 362.426 3.750 20 5 FHBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000111056407 945305817 /nfs/dbraw/zinc/30/58/17/945305817.db2.gz IHVIDGXRJRGCOC-HUUCEWRRSA-N 1 0 363.458 3.736 20 5 FHBDRO COC(=O)c1cnc([C@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000414081071 940487064 /nfs/dbraw/zinc/48/70/64/940487064.db2.gz AYYGIUKSWFIVHK-LBPRGKRZSA-N 1 0 363.439 3.511 20 5 FHBDRO COc1cccc([C@@H](C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)N(C)C)c1 ZINC000120112926 940506848 /nfs/dbraw/zinc/50/68/48/940506848.db2.gz HCCOKFGXRXIHMJ-MGPUTAFESA-N 1 0 357.454 3.865 20 5 FHBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000582143522 940650543 /nfs/dbraw/zinc/65/05/43/940650543.db2.gz WITSEHQMIKCIHH-OAHLLOKOSA-N 1 0 371.485 3.964 20 5 FHBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000582143521 940650572 /nfs/dbraw/zinc/65/05/72/940650572.db2.gz WITSEHQMIKCIHH-HNNXBMFYSA-N 1 0 371.485 3.964 20 5 FHBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccco1 ZINC000582201300 940653314 /nfs/dbraw/zinc/65/33/14/940653314.db2.gz NNQUBAWLGJRXMD-ABAIWWIYSA-N 1 0 365.817 3.700 20 5 FHBDRO C[NH+]1CCC(N(C/C=C/c2ccccc2[N+](=O)[O-])Cc2ccco2)CC1 ZINC000582573982 940731891 /nfs/dbraw/zinc/73/18/91/940731891.db2.gz XXFUMTNDKWBEEA-QPJJXVBHSA-N 1 0 355.438 3.797 20 5 FHBDRO CCC[C@@H]([NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000310826843 940907070 /nfs/dbraw/zinc/90/70/70/940907070.db2.gz IFUHWGNQOMQPNX-CZUORRHYSA-N 1 0 351.447 3.939 20 5 FHBDRO COC(=O)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000188688061 940967408 /nfs/dbraw/zinc/96/74/08/940967408.db2.gz YDSZRTKICMTUGY-UHFFFAOYSA-N 1 0 364.785 3.551 20 5 FHBDRO CCN(C(=O)c1cc([N+](=O)[O-])ccc1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186302200 940971938 /nfs/dbraw/zinc/97/19/38/940971938.db2.gz XDBIGIYKYNIBPQ-LJQANCHMSA-N 1 0 367.449 3.640 20 5 FHBDRO C[C@@H]([NH2+]CC(=O)N(C)[C@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000180420435 941009588 /nfs/dbraw/zinc/00/95/88/941009588.db2.gz CLKLMPCIVQKJIA-QRWLVFNGSA-N 1 0 367.449 3.781 20 5 FHBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](c2cccs2)C2(CO)CCC2)c1 ZINC000452059390 941013491 /nfs/dbraw/zinc/01/34/91/941013491.db2.gz KCQPZEZEKQURSE-QGZVFWFLSA-N 1 0 362.451 3.529 20 5 FHBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C12CCCC2 ZINC000472599691 941058573 /nfs/dbraw/zinc/05/85/73/941058573.db2.gz NZPPLCAKJKXUMM-LTIDMASMSA-N 1 0 362.474 3.602 20 5 FHBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000176721189 941073729 /nfs/dbraw/zinc/07/37/29/941073729.db2.gz ZTPMHTJAFDLQCT-PBHICJAKSA-N 1 0 371.412 3.517 20 5 FHBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)[C@H](C)C1 ZINC000115521331 941114820 /nfs/dbraw/zinc/11/48/20/941114820.db2.gz PWOAROJLHYNZJJ-QAPCUYQASA-N 1 0 372.469 3.692 20 5 FHBDRO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000181297398 941120429 /nfs/dbraw/zinc/12/04/29/941120429.db2.gz TZDJSYCVEHPHEX-GFCCVEGCSA-N 1 0 359.451 3.500 20 5 FHBDRO CC[NH+]1CCN(c2cccc(NC/C=C\c3ccccc3[N+](=O)[O-])c2)CC1 ZINC000472617216 941122232 /nfs/dbraw/zinc/12/22/32/941122232.db2.gz HSPYICNKBHZLSL-VURMDHGXSA-N 1 0 366.465 3.862 20 5 FHBDRO COc1cc(C[NH2+]Cc2ccc(C(F)(F)F)cc2C)c([N+](=O)[O-])cc1O ZINC000188915783 941130852 /nfs/dbraw/zinc/13/08/52/941130852.db2.gz CKWOYUNLXHCHPM-UHFFFAOYSA-N 1 0 370.327 3.926 20 5 FHBDRO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000189077482 941146554 /nfs/dbraw/zinc/14/65/54/941146554.db2.gz YQQUMCPWIPYJFT-VQTJNVASSA-N 1 0 367.449 3.745 20 5 FHBDRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000189395662 941157144 /nfs/dbraw/zinc/15/71/44/941157144.db2.gz OQOIQSLBDLROAK-STQMWFEESA-N 1 0 361.467 3.841 20 5 FHBDRO Cn1ncc2c1CCC[N@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000414470257 941288570 /nfs/dbraw/zinc/28/85/70/941288570.db2.gz IFNPSIQXJBISEW-UHFFFAOYSA-N 1 0 352.394 3.537 20 5 FHBDRO Cc1ccc([C@@H](C)[NH2+]CCOCC(F)(F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000189861761 941290017 /nfs/dbraw/zinc/29/00/17/941290017.db2.gz CTRRRBYKTDABMA-SNVBAGLBSA-N 1 0 356.291 3.768 20 5 FHBDRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)cc1 ZINC000782954248 941331265 /nfs/dbraw/zinc/33/12/65/941331265.db2.gz LVJWEARFQWBSSY-GDBMZVCRSA-N 1 0 367.405 3.647 20 5 FHBDRO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)cc1 ZINC000782954251 941331831 /nfs/dbraw/zinc/33/18/31/941331831.db2.gz LVJWEARFQWBSSY-ZBFHGGJFSA-N 1 0 367.405 3.647 20 5 FHBDRO CC(C)c1ccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000190020911 941346844 /nfs/dbraw/zinc/34/68/44/941346844.db2.gz FGFICJDNEXLUBS-UHFFFAOYSA-N 1 0 359.470 3.855 20 5 FHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(C[NH+](C)C)cc1F ZINC000414493057 941368569 /nfs/dbraw/zinc/36/85/69/941368569.db2.gz BJFOJPUFSFOBKP-ZDUSSCGKSA-N 1 0 374.416 3.625 20 5 FHBDRO C[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000414522282 941371880 /nfs/dbraw/zinc/37/18/80/941371880.db2.gz GMZNAFHSJUKHIO-YPMHNXCESA-N 1 0 350.802 3.711 20 5 FHBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)cc1[N+](=O)[O-] ZINC000414552499 941378038 /nfs/dbraw/zinc/37/80/38/941378038.db2.gz QICGTHPDWDGWRR-QGZVFWFLSA-N 1 0 359.470 3.695 20 5 FHBDRO CC(C)[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@H]1CCC(=O)N1 ZINC000414557788 941378647 /nfs/dbraw/zinc/37/86/47/941378647.db2.gz MCCUOBXWEAKRHT-OAHLLOKOSA-N 1 0 373.478 3.812 20 5 FHBDRO CC(C)C[C@H]([NH3+])c1noc(-c2ccnc(-c3ccccc3)c2[N+](=O)[O-])n1 ZINC000414621775 941415824 /nfs/dbraw/zinc/41/58/24/941415824.db2.gz MDNFJAUBNPGZRL-AWEZNQCLSA-N 1 0 353.382 3.753 20 5 FHBDRO C[C@H]([NH3+])c1ccc(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000414811258 941472628 /nfs/dbraw/zinc/47/26/28/941472628.db2.gz PNNJOQBPEMLULE-NSHDSACASA-N 1 0 351.353 3.506 20 5 FHBDRO C[C@@H]1C[C@@H](NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414951298 941524960 /nfs/dbraw/zinc/52/49/60/941524960.db2.gz POJUYLVUEZJMPL-WBVHZDCISA-N 1 0 354.454 3.593 20 5 FHBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181536982 941537107 /nfs/dbraw/zinc/53/71/07/941537107.db2.gz PHMCFVRVJZPJOO-GJZGRUSLSA-N 1 0 371.437 3.714 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000377185970 941542320 /nfs/dbraw/zinc/54/23/20/941542320.db2.gz UWGQXEHJZIMHDZ-FUHWJXTLSA-N 1 0 367.449 3.544 20 5 FHBDRO Cc1ccc(NC(=O)[C@H](C)N(C)CCc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000549156392 941549494 /nfs/dbraw/zinc/54/94/94/941549494.db2.gz CTUYAUKYIASHBM-INIZCTEOSA-N 1 0 355.438 3.713 20 5 FHBDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000549227261 941678789 /nfs/dbraw/zinc/67/87/89/941678789.db2.gz DDBGLDSEBFYKAZ-PMACEKPBSA-N 1 0 368.433 3.909 20 5 FHBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3cncc4ccccc43)CC2)cc1 ZINC000472760942 941691051 /nfs/dbraw/zinc/69/10/51/941691051.db2.gz BOKGMNNBMLVQKW-UHFFFAOYSA-N 1 0 362.433 3.508 20 5 FHBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH+](CCc2cccs2)CC1 ZINC000473523018 941762664 /nfs/dbraw/zinc/76/26/64/941762664.db2.gz RAISUWNJCJAWOF-UHFFFAOYSA-N 1 0 368.462 3.569 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000513233530 941790412 /nfs/dbraw/zinc/79/04/12/941790412.db2.gz YPHSHKNPZDKDCX-RDTXWAMCSA-N 1 0 353.422 3.925 20 5 FHBDRO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412124795 941808507 /nfs/dbraw/zinc/80/85/07/941808507.db2.gz PEBLLYNEIPIZFQ-VQTJNVASSA-N 1 0 373.497 3.669 20 5 FHBDRO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1c(F)cncc1F ZINC000513247068 941813138 /nfs/dbraw/zinc/81/31/38/941813138.db2.gz IXJRQDJRJMHDFH-LLVKDONJSA-N 1 0 374.347 3.816 20 5 FHBDRO C[C@H]1C[C@H](c2ccccc2)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000513272577 941825056 /nfs/dbraw/zinc/82/50/56/941825056.db2.gz RKIDHVOLXQOYOJ-HNAYVOBHSA-N 1 0 365.433 3.567 20 5 FHBDRO CCOC(=O)c1cc(NC[C@@H](c2ccco2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000433689689 941842228 /nfs/dbraw/zinc/84/22/28/941842228.db2.gz KBPSAHWODCBQGL-KRWDZBQOSA-N 1 0 373.409 3.614 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000415484848 941850100 /nfs/dbraw/zinc/85/01/00/941850100.db2.gz ORKRDVURIVVDAR-INIZCTEOSA-N 1 0 356.426 3.813 20 5 FHBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000415480567 941851183 /nfs/dbraw/zinc/85/11/83/941851183.db2.gz HPFIYELVWIQSBZ-INIZCTEOSA-N 1 0 356.426 3.596 20 5 FHBDRO C[C@@H](NCc1c(Cl)cccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000119636157 941892030 /nfs/dbraw/zinc/89/20/30/941892030.db2.gz SUOGYBNLQXIVFT-GFCCVEGCSA-N 1 0 357.801 3.680 20 5 FHBDRO CCc1ccc([C@H]2CCC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000513400103 941895749 /nfs/dbraw/zinc/89/57/49/941895749.db2.gz AWCUHOFTASWZEH-SFHVURJKSA-N 1 0 367.449 3.636 20 5 FHBDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000182553982 941943385 /nfs/dbraw/zinc/94/33/85/941943385.db2.gz DEOJNRBINNCQGA-AWEZNQCLSA-N 1 0 357.410 3.673 20 5 FHBDRO C[C@H](Cn1ccnc1)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000517538155 941947621 /nfs/dbraw/zinc/94/76/21/941947621.db2.gz NXMSDCFEAFQCJX-CQSZACIVSA-N 1 0 370.384 3.901 20 5 FHBDRO C[C@@H](Cn1ccnc1)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000517538154 941947784 /nfs/dbraw/zinc/94/77/84/941947784.db2.gz NXMSDCFEAFQCJX-AWEZNQCLSA-N 1 0 370.384 3.901 20 5 FHBDRO C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000574216179 942011078 /nfs/dbraw/zinc/01/10/78/942011078.db2.gz SHMPAITURWIAOG-OXJNMPFZSA-N 1 0 373.497 3.859 20 5 FHBDRO O=C(Nc1ccc(F)cc1)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000101917027 942019914 /nfs/dbraw/zinc/01/99/14/942019914.db2.gz KSRCMNMFLMPEMG-UHFFFAOYSA-N 1 0 371.412 3.627 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000085619943 942024444 /nfs/dbraw/zinc/02/44/44/942024444.db2.gz CRAXRRYFWFZQSV-QGZVFWFLSA-N 1 0 370.453 3.506 20 5 FHBDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)c(C)o1 ZINC000183326962 942081848 /nfs/dbraw/zinc/08/18/48/942081848.db2.gz VUYCBCHDVRJXDU-UHFFFAOYSA-N 1 0 371.437 3.507 20 5 FHBDRO CC[NH2+]Cc1ccccc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000237104077 942092836 /nfs/dbraw/zinc/09/28/36/942092836.db2.gz VDVQRYLJFKIARJ-UHFFFAOYSA-N 1 0 354.410 3.531 20 5 FHBDRO CCc1cnccc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000541193643 942152140 /nfs/dbraw/zinc/15/21/40/942152140.db2.gz UARNBUGJWHPUBG-ZIAGYGMSSA-N 1 0 356.426 3.538 20 5 FHBDRO C[NH2+]Cc1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000415945538 942179763 /nfs/dbraw/zinc/17/97/63/942179763.db2.gz RGIAYZGUNPHUJL-UHFFFAOYSA-N 1 0 354.410 3.511 20 5 FHBDRO C[C@@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000063331818 942193998 /nfs/dbraw/zinc/19/39/98/942193998.db2.gz YTCLMKVWAHXMRL-OAHLLOKOSA-N 1 0 374.485 3.610 20 5 FHBDRO Cc1cc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc([N+](=O)[O-])c1 ZINC000103092018 942215299 /nfs/dbraw/zinc/21/52/99/942215299.db2.gz FZIUOJBHZJQJFM-KRWDZBQOSA-N 1 0 359.470 3.631 20 5 FHBDRO CCc1ccc(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000237135724 942218552 /nfs/dbraw/zinc/21/85/52/942218552.db2.gz HEVHAFOTZBOKDH-UHFFFAOYSA-N 1 0 364.449 3.890 20 5 FHBDRO C[NH2+]Cc1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000415981291 942224366 /nfs/dbraw/zinc/22/43/66/942224366.db2.gz IVUNAARZSDDXKN-UHFFFAOYSA-N 1 0 354.410 3.511 20 5 FHBDRO Cc1ccc(NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1[N+](=O)[O-] ZINC000103231876 942237491 /nfs/dbraw/zinc/23/74/91/942237491.db2.gz HBROIFQJYXMHMS-QGZVFWFLSA-N 1 0 374.485 3.879 20 5 FHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413075097 942259818 /nfs/dbraw/zinc/25/98/18/942259818.db2.gz KEQCRHXGWCFCEW-RKVPGOIHSA-N 1 0 354.454 3.985 20 5 FHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000420995536 942295593 /nfs/dbraw/zinc/29/55/93/942295593.db2.gz OUVVNLCLEINYRJ-CQSZACIVSA-N 1 0 363.364 3.828 20 5 FHBDRO CSc1cccc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000188078174 942327494 /nfs/dbraw/zinc/32/74/94/942327494.db2.gz BEHBGUVCSQGGBQ-FZKQIMNGSA-N 1 0 365.499 3.557 20 5 FHBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2CCC(C)(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000481107527 942345509 /nfs/dbraw/zinc/34/55/09/942345509.db2.gz KJQLLDKHKOJXTK-ZFWWWQNUSA-N 1 0 363.458 3.736 20 5 FHBDRO Cc1ccc([C@@H](C)NC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000416169549 942427999 /nfs/dbraw/zinc/42/79/99/942427999.db2.gz FPFCLXONVLFSDP-DNVCBOLYSA-N 1 0 355.438 3.773 20 5 FHBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1C ZINC001269735153 942444851 /nfs/dbraw/zinc/44/48/51/942444851.db2.gz VEQPAWBJGYQXCX-BEFAXECRSA-N 1 0 355.438 3.633 20 5 FHBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000549405456 942463284 /nfs/dbraw/zinc/46/32/84/942463284.db2.gz RPIMPIODGQBFRQ-OAHLLOKOSA-N 1 0 357.376 3.674 20 5 FHBDRO COc1cc(C[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000505318940 942475084 /nfs/dbraw/zinc/47/50/84/942475084.db2.gz DRSGPRQMYKMBJW-NSHDSACASA-N 1 0 362.348 3.776 20 5 FHBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000146944961 942524470 /nfs/dbraw/zinc/52/44/70/942524470.db2.gz FHWOAHXFBXOGJO-UHFFFAOYSA-N 1 0 369.421 3.842 20 5 FHBDRO O=C(c1cc(F)ccc1F)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000047797621 942545801 /nfs/dbraw/zinc/54/58/01/942545801.db2.gz MMLAFDQPGITRAH-UHFFFAOYSA-N 1 0 360.360 3.968 20 5 FHBDRO COC1([C@H](C)[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCOCC1 ZINC000421406877 942555497 /nfs/dbraw/zinc/55/54/97/942555497.db2.gz UXYXEHFSZCXRKV-AWEZNQCLSA-N 1 0 360.410 3.529 20 5 FHBDRO COc1ccccc1C[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104661970 942566671 /nfs/dbraw/zinc/56/66/71/942566671.db2.gz NWQLQSMZICIBSQ-UHFFFAOYSA-N 1 0 367.405 3.933 20 5 FHBDRO C[NH+](C)CCc1ccc(CNc2ccc([N+](=O)[O-])c3ncccc23)cc1 ZINC000413265139 942584279 /nfs/dbraw/zinc/58/42/79/942584279.db2.gz XIPHCHGPBHKNPL-UHFFFAOYSA-N 1 0 350.422 3.859 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000104700343 942598401 /nfs/dbraw/zinc/59/84/01/942598401.db2.gz HFPZHKJAKFWDMF-HXUWFJFHSA-N 1 0 353.422 3.973 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000421491116 942605726 /nfs/dbraw/zinc/60/57/26/942605726.db2.gz NKFYXTXHWDWJBP-SFHVURJKSA-N 1 0 367.449 3.558 20 5 FHBDRO CN(CCC[N@H+](C)Cc1ccco1)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413293549 942613934 /nfs/dbraw/zinc/61/39/34/942613934.db2.gz NKAALTCDIBAAKD-UHFFFAOYSA-N 1 0 372.347 3.560 20 5 FHBDRO CN(C(=O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000104704231 942618447 /nfs/dbraw/zinc/61/84/47/942618447.db2.gz HAXNYPUDLGFUPS-HXUWFJFHSA-N 1 0 371.412 3.828 20 5 FHBDRO CN(C(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC[NH2+]CC1 ZINC000237097138 942663579 /nfs/dbraw/zinc/66/35/79/942663579.db2.gz PGYNLEPQJDMZKJ-VQHVLOKHSA-N 1 0 371.462 3.547 20 5 FHBDRO Cc1ccc([C@H]2CC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)cc1 ZINC000541393248 942671415 /nfs/dbraw/zinc/67/14/15/942671415.db2.gz MJPNIJQCJBFJAC-KRWDZBQOSA-N 1 0 353.422 3.640 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000181589747 942776655 /nfs/dbraw/zinc/77/66/55/942776655.db2.gz IGPXOWXJCGCEQJ-GFCCVEGCSA-N 1 0 363.364 3.861 20 5 FHBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000421756504 942800037 /nfs/dbraw/zinc/80/00/37/942800037.db2.gz KAXNUQGEHCDQQQ-BBWFWOEESA-N 1 0 359.470 3.689 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000502876159 942807370 /nfs/dbraw/zinc/80/73/70/942807370.db2.gz HDQZVSQFTRXPJC-UHFFFAOYSA-N 1 0 371.412 3.738 20 5 FHBDRO C[NH+](C)[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1 ZINC000016599501 942883627 /nfs/dbraw/zinc/88/36/27/942883627.db2.gz UBVDMBHWXJNSAJ-MRXNPFEDSA-N 1 0 369.446 3.842 20 5 FHBDRO Cc1cc(C)c2c(c1)[C@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCO2 ZINC000365804335 942917272 /nfs/dbraw/zinc/91/72/72/942917272.db2.gz DQPADXKIODSOIP-MRXNPFEDSA-N 1 0 357.366 3.733 20 5 FHBDRO CCc1ccc([C@H](CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000514510962 943073481 /nfs/dbraw/zinc/07/34/81/943073481.db2.gz FYCBLAILXOBIAM-IBGZPJMESA-N 1 0 370.453 3.890 20 5 FHBDRO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414666308 943158996 /nfs/dbraw/zinc/15/89/96/943158996.db2.gz WOYWNSAOYQDNSN-NVXWUHKLSA-N 1 0 354.454 3.532 20 5 FHBDRO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000423016864 943365788 /nfs/dbraw/zinc/36/57/88/943365788.db2.gz NMECIBXSDWMTBJ-JNAXZKDPSA-N 1 0 353.422 3.501 20 5 FHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2cccc3[nH]ccc32)n1 ZINC000503944474 943429053 /nfs/dbraw/zinc/42/90/53/943429053.db2.gz CUSMZSJFCFCMPC-ROUUACIJSA-N 1 0 353.426 3.589 20 5 FHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2cccc3[nH]ccc32)n1 ZINC000503944475 943429231 /nfs/dbraw/zinc/42/92/31/943429231.db2.gz CUSMZSJFCFCMPC-ZWKOTPCHSA-N 1 0 353.426 3.589 20 5 FHBDRO Cc1ccc([C@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423277807 943469969 /nfs/dbraw/zinc/46/99/69/943469969.db2.gz OYEKFXKHKBZZHE-KSSFIOAISA-N 1 0 355.438 3.807 20 5 FHBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000504030848 943475450 /nfs/dbraw/zinc/47/54/50/943475450.db2.gz DWYDPQSNMVCOMC-SDQPKGBYSA-N 1 0 351.406 3.844 20 5 FHBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000467208879 943480443 /nfs/dbraw/zinc/48/04/43/943480443.db2.gz VGAUTCRMPMPBDD-JSGCOSHPSA-N 1 0 374.466 3.777 20 5 FHBDRO Cc1ccccc1[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000584736939 943504976 /nfs/dbraw/zinc/50/49/76/943504976.db2.gz IIKLTGNBKCCUJD-HXUWFJFHSA-N 1 0 353.422 3.973 20 5 FHBDRO NC(=O)Nc1ccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417320415 943513073 /nfs/dbraw/zinc/51/30/73/943513073.db2.gz JQMGXNVUDQKRAL-GOSISDBHSA-N 1 0 354.410 3.643 20 5 FHBDRO Cc1c(CN(Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000435690173 943559239 /nfs/dbraw/zinc/55/92/39/943559239.db2.gz BSPYHFITFMYDHG-KRWDZBQOSA-N 1 0 372.494 3.504 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000364119881 943606057 /nfs/dbraw/zinc/60/60/57/943606057.db2.gz HTHSLHOBJZXBIL-DYVFJYSZSA-N 1 0 374.466 3.779 20 5 FHBDRO CC(C)(C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH3+])c1ccccc1 ZINC000423840488 943626993 /nfs/dbraw/zinc/62/69/93/943626993.db2.gz IUQBZMGJZNWJRD-INIZCTEOSA-N 1 0 361.829 3.591 20 5 FHBDRO COc1cc(C[NH2+][C@@H]2CC23CC3)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000424182712 943763950 /nfs/dbraw/zinc/76/39/50/943763950.db2.gz HGDQAXBBSHLSDE-LJQANCHMSA-N 1 0 354.406 3.825 20 5 FHBDRO COc1cccc([C@@H]2[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)CCN2C2CC2)c1 ZINC000549476715 943813593 /nfs/dbraw/zinc/81/35/93/943813593.db2.gz HBGSBJBLAVKBIA-NHCUHLMSSA-N 1 0 367.449 3.671 20 5 FHBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1C(=O)N(C)C ZINC000417709611 943844830 /nfs/dbraw/zinc/84/48/30/943844830.db2.gz CMALVHMYCMHXSJ-UHFFFAOYSA-N 1 0 355.438 3.707 20 5 FHBDRO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000425416286 943857746 /nfs/dbraw/zinc/85/77/46/943857746.db2.gz GBWAEGAYXHIQSH-OCCSQVGLSA-N 1 0 369.259 3.606 20 5 FHBDRO [NH3+]C1(c2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)CCCCC1 ZINC000424339639 943870504 /nfs/dbraw/zinc/87/05/04/943870504.db2.gz DLRJELFUSNPFRX-UHFFFAOYSA-N 1 0 371.422 3.886 20 5 FHBDRO Cc1ccc([C@H](C)[NH2+]CCCn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000319106432 943877347 /nfs/dbraw/zinc/87/73/47/943877347.db2.gz QQYGNKQZTCYBSG-LBPRGKRZSA-N 1 0 367.247 3.603 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1c2ccccc2C[C@H]1O ZINC000504893606 943890860 /nfs/dbraw/zinc/89/08/60/943890860.db2.gz GYMKNYLEDGXIBD-BJZITVGISA-N 1 0 358.463 3.713 20 5 FHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000504905821 943903078 /nfs/dbraw/zinc/90/30/78/943903078.db2.gz OFPVANYEWIMMOD-HNAYVOBHSA-N 1 0 357.454 3.947 20 5 FHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccnc1N(C)C ZINC000504911912 943908131 /nfs/dbraw/zinc/90/81/31/943908131.db2.gz NMIBJESTTDSCON-OAHLLOKOSA-N 1 0 360.483 3.716 20 5 FHBDRO CCOc1ccc([C@@H](C)[NH2+]CCn2cnc3ccccc32)cc1[N+](=O)[O-] ZINC000504912103 943908866 /nfs/dbraw/zinc/90/88/66/943908866.db2.gz QGNZTBCCGJNKRU-CQSZACIVSA-N 1 0 354.410 3.694 20 5 FHBDRO Cc1c(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000504913348 943909361 /nfs/dbraw/zinc/90/93/61/943909361.db2.gz DRKQOXMEZUOVAP-KRWDZBQOSA-N 1 0 368.437 3.689 20 5 FHBDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000893327701 944014382 /nfs/dbraw/zinc/01/43/82/944014382.db2.gz DVRKAYYTDFXPJO-BPLDGKMQSA-N 1 0 374.359 3.595 20 5 FHBDRO O=[N+]([O-])c1cccc2c(N3CC[NH+](Cc4ccsc4)CC3)ccnc21 ZINC000517115155 944021670 /nfs/dbraw/zinc/02/16/70/944021670.db2.gz AUCVDPQKGCAQFD-UHFFFAOYSA-N 1 0 354.435 3.527 20 5 FHBDRO CCCNc1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000517215724 944110364 /nfs/dbraw/zinc/11/03/64/944110364.db2.gz WEHQCSYVXBKSCY-OAHLLOKOSA-N 1 0 370.453 3.924 20 5 FHBDRO CC1(C)[C@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC000425493507 944112334 /nfs/dbraw/zinc/11/23/34/944112334.db2.gz OYGUHUDHCGULEB-BPLDGKMQSA-N 1 0 369.259 3.651 20 5 FHBDRO Cc1c(CNC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)cccc1[N+](=O)[O-] ZINC000418074272 944124282 /nfs/dbraw/zinc/12/42/82/944124282.db2.gz CSENAFXISCSUSK-GOSISDBHSA-N 1 0 370.453 3.526 20 5 FHBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000500116440 944124566 /nfs/dbraw/zinc/12/45/66/944124566.db2.gz OCYKLPUKLDXYNB-ZIAGYGMSSA-N 1 0 351.472 3.529 20 5 FHBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1Cl ZINC000500154684 944178177 /nfs/dbraw/zinc/17/81/77/944178177.db2.gz LZUBJGOIENPURS-UHFFFAOYSA-N 1 0 365.792 3.848 20 5 FHBDRO CCC[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000436313902 944193698 /nfs/dbraw/zinc/19/36/98/944193698.db2.gz XWEODWKKMKZNKP-AOIWGVFYSA-N 1 0 359.470 3.817 20 5 FHBDRO CSc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000436315097 944193882 /nfs/dbraw/zinc/19/38/82/944193882.db2.gz OVZURVJMHPENGQ-IAGOWNOFSA-N 1 0 360.483 3.829 20 5 FHBDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000515847024 944270741 /nfs/dbraw/zinc/27/07/41/944270741.db2.gz RMQUJRSQGJRILQ-MAUKXSAKSA-N 1 0 364.490 3.712 20 5 FHBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(F)c1 ZINC000518336045 944282889 /nfs/dbraw/zinc/28/28/89/944282889.db2.gz OZHKIBZPKFHQFI-LPHOPBHVSA-N 1 0 370.428 3.620 20 5 FHBDRO COc1cc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000184224007 944286693 /nfs/dbraw/zinc/28/66/93/944286693.db2.gz RCDDXJTXRRACLY-MRXNPFEDSA-N 1 0 374.412 3.781 20 5 FHBDRO O=C(NCCC[NH2+]C1CC1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000518391401 944345699 /nfs/dbraw/zinc/34/56/99/944345699.db2.gz ZIDDYLPJFAGTBR-UHFFFAOYSA-N 1 0 371.462 3.618 20 5 FHBDRO Cc1c([C@H](C)[NH2+]Cc2cc3ccccc3n(C)c2=O)cccc1[N+](=O)[O-] ZINC000426287560 944370265 /nfs/dbraw/zinc/37/02/65/944370265.db2.gz AGDISJJGJNUZKO-AWEZNQCLSA-N 1 0 351.406 3.606 20 5 FHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cc(-c3ccccc3)on2)n1 ZINC000425955360 944391295 /nfs/dbraw/zinc/39/12/95/944391295.db2.gz ZDOUIHXMCCBVAH-DLBZAZTESA-N 1 0 367.409 3.720 20 5 FHBDRO COc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1OC(F)F ZINC000327687288 944452883 /nfs/dbraw/zinc/45/28/83/944452883.db2.gz QTOQPPAIDBBJQM-UHFFFAOYSA-N 1 0 352.337 3.803 20 5 FHBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000110355451 944455819 /nfs/dbraw/zinc/45/58/19/944455819.db2.gz DSVZQHUKULCLRS-CQSZACIVSA-N 1 0 373.478 3.567 20 5 FHBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000110386007 944475257 /nfs/dbraw/zinc/47/52/57/944475257.db2.gz PTYVVQJKRZYPMS-YQQQUEKLSA-N 1 0 365.433 3.520 20 5 FHBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)c1ccco1 ZINC000473787138 944481606 /nfs/dbraw/zinc/48/16/06/944481606.db2.gz MLPKOKAQWPBKLV-MRXNPFEDSA-N 1 0 360.414 3.701 20 5 FHBDRO Cc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000473787768 944485052 /nfs/dbraw/zinc/48/50/52/944485052.db2.gz POFWPCWZSJMEJY-GOSISDBHSA-N 1 0 368.437 3.641 20 5 FHBDRO CC(C)[C@@H](C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[NH+](C)C ZINC000426349295 944524979 /nfs/dbraw/zinc/52/49/79/944524979.db2.gz UHPDIZCXDRTAAY-SFHVURJKSA-N 1 0 357.410 3.912 20 5 FHBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000843757850 944544021 /nfs/dbraw/zinc/54/40/21/944544021.db2.gz FVLFXQCLIBOXKW-SFHVURJKSA-N 1 0 371.412 3.609 20 5 FHBDRO C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000439333698 944544679 /nfs/dbraw/zinc/54/46/79/944544679.db2.gz WGCCDSLQFYTIRV-IMFGXOCKSA-N 1 0 370.449 3.603 20 5 FHBDRO CC1(C)CCc2cc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)ccc2O1 ZINC000426001534 944583554 /nfs/dbraw/zinc/58/35/54/944583554.db2.gz LJAILEOJNFUZNR-UHFFFAOYSA-N 1 0 370.453 3.732 20 5 FHBDRO [NH3+]CCc1cn(-c2ncnc3cc4ccccc4cc32)c2ccc(O)cc12 ZINC001167983128 944591967 /nfs/dbraw/zinc/59/19/67/944591967.db2.gz QKXLBGMNBAQFHT-UHFFFAOYSA-N 1 0 354.413 3.934 20 5 FHBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@](C)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000438502354 944699518 /nfs/dbraw/zinc/69/95/18/944699518.db2.gz VZRGSXSQYBQZNK-IERDGZPVSA-N 1 0 367.449 3.894 20 5 FHBDRO CC(=O)c1cc(N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000383074065 944707859 /nfs/dbraw/zinc/70/78/59/944707859.db2.gz RYGSGQJSPNNAGV-UHFFFAOYSA-N 1 0 367.449 3.898 20 5 FHBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCC1 ZINC000438521767 944724842 /nfs/dbraw/zinc/72/48/42/944724842.db2.gz APQNDHJYMCTOGL-UHFFFAOYSA-N 1 0 365.499 3.701 20 5 FHBDRO CCCC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCC1 ZINC000541593231 944803688 /nfs/dbraw/zinc/80/36/88/944803688.db2.gz XPFPUZXZUKUOFB-CZUORRHYSA-N 1 0 363.458 3.879 20 5 FHBDRO C[C@H]1C[C@H]1c1noc(CC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000593077200 944822979 /nfs/dbraw/zinc/82/29/79/944822979.db2.gz OUHXNXYRKOEQFZ-XJKSGUPXSA-N 1 0 356.426 3.556 20 5 FHBDRO CC(C)(C)[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000506994011 944845512 /nfs/dbraw/zinc/84/55/12/944845512.db2.gz CKLXHWOIICWFCA-HKUYNNGSSA-N 1 0 358.438 3.712 20 5 FHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000053749272 944853075 /nfs/dbraw/zinc/85/30/75/944853075.db2.gz OGFFDDHMQVIXOR-PBHICJAKSA-N 1 0 354.410 3.552 20 5 FHBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000541601998 944889059 /nfs/dbraw/zinc/88/90/59/944889059.db2.gz AVKWZWCLINSRJK-ZIAGYGMSSA-N 1 0 363.458 3.736 20 5 FHBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH+](CCc2cccs2)CC1 ZINC000507064968 944926099 /nfs/dbraw/zinc/92/60/99/944926099.db2.gz PICCZPBWRACDIB-ZZXKWVIFSA-N 1 0 357.479 3.530 20 5 FHBDRO CC(C)c1ccc(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000439742337 944938295 /nfs/dbraw/zinc/93/82/95/944938295.db2.gz UBXNBYOCJRHXHP-RBUKOAKNSA-N 1 0 367.449 3.546 20 5 FHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000437098883 945018618 /nfs/dbraw/zinc/01/86/18/945018618.db2.gz STNGDOUFGSBJTL-SJKOYZFVSA-N 1 0 373.384 3.564 20 5 FHBDRO CSCc1cccc(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000437107370 945028688 /nfs/dbraw/zinc/02/86/88/945028688.db2.gz KEMUDJCUMMYYNM-CQSZACIVSA-N 1 0 373.478 3.965 20 5 FHBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(Nc3ccc(F)cc3)CC2)c1 ZINC000507219474 945038925 /nfs/dbraw/zinc/03/89/25/945038925.db2.gz PCSRBGBJMZRGBA-UHFFFAOYSA-N 1 0 359.401 3.689 20 5 FHBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ncc(Br)cc1F ZINC000427534233 945485917 /nfs/dbraw/zinc/48/59/17/945485917.db2.gz ORUDJRDMFSGDPL-JTQLQIEISA-N 1 0 368.206 3.785 20 5 FHBDRO CCCCO[C@H]1C[C@@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000519725690 945676755 /nfs/dbraw/zinc/67/67/55/945676755.db2.gz PQPSKPHAOYZDQO-CVEARBPZSA-N 1 0 374.441 3.718 20 5 FHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000181759904 945750017 /nfs/dbraw/zinc/75/00/17/945750017.db2.gz YFGHPHCFJVJCMU-ZDUSSCGKSA-N 1 0 353.378 3.939 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000281764817 945840937 /nfs/dbraw/zinc/84/09/37/945840937.db2.gz CWMIQWYQCHATHP-LBPRGKRZSA-N 1 0 361.833 3.560 20 5 FHBDRO C[C@@H]1C[NH+](CCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H](C)O1 ZINC000108931078 946086002 /nfs/dbraw/zinc/08/60/02/946086002.db2.gz RWNXBGABIFRIRA-VXGBXAGGSA-N 1 0 361.364 3.525 20 5 FHBDRO COc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2C)[NH+]2CCCCC2)cc1 ZINC000111178718 946377532 /nfs/dbraw/zinc/37/75/32/946377532.db2.gz UWYLGIWDFNYMPY-IBGZPJMESA-N 1 0 370.453 3.946 20 5 FHBDRO Cc1ccc(C(C)(C)C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000441346567 946498200 /nfs/dbraw/zinc/49/82/00/946498200.db2.gz NMQJQBDUSSCPCK-LJQANCHMSA-N 1 0 372.465 3.553 20 5 FHBDRO COc1ccc(OCC[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000441383423 946506438 /nfs/dbraw/zinc/50/64/38/946506438.db2.gz LOCBRUWFVYPIGM-MRXNPFEDSA-N 1 0 374.412 3.686 20 5 FHBDRO Cc1cccc(CC2(O)CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000475515234 946561337 /nfs/dbraw/zinc/56/13/37/946561337.db2.gz AUDGDQWGBGQBKV-UHFFFAOYSA-N 1 0 354.450 3.781 20 5 FHBDRO Cc1cc(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000487386679 946564113 /nfs/dbraw/zinc/56/41/13/946564113.db2.gz HDOGKKOBVISNMI-APWZRJJASA-N 1 0 367.449 3.544 20 5 FHBDRO COc1ccc(OCC[N@@H+]2CCSC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000441410237 946565458 /nfs/dbraw/zinc/56/54/58/946565458.db2.gz KYMWPYVHVRCDJR-SFHVURJKSA-N 1 0 374.462 3.772 20 5 FHBDRO CC1CCC([NH+]2CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001126142545 946600252 /nfs/dbraw/zinc/60/02/52/946600252.db2.gz GHXUQLLDALGDME-UHFFFAOYSA-N 1 0 373.497 3.595 20 5 FHBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000475567716 946683199 /nfs/dbraw/zinc/68/31/99/946683199.db2.gz LYIOGLAELMSIKN-UHFFFAOYSA-N 1 0 374.416 3.734 20 5 FHBDRO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000121450076 946744931 /nfs/dbraw/zinc/74/49/31/946744931.db2.gz LWSHVICCDJNXKG-QGZVFWFLSA-N 1 0 371.462 3.566 20 5 FHBDRO CCn1nc(C)c(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1C ZINC000278849998 946769614 /nfs/dbraw/zinc/76/96/14/946769614.db2.gz WVXJQGWZNLBQAL-UHFFFAOYSA-N 1 0 356.348 3.737 20 5 FHBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 ZINC000181816399 946865454 /nfs/dbraw/zinc/86/54/54/946865454.db2.gz XUQXNFBQXLSGNC-GOSISDBHSA-N 1 0 357.410 3.673 20 5 FHBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 ZINC000181816381 946865795 /nfs/dbraw/zinc/86/57/95/946865795.db2.gz XUQXNFBQXLSGNC-SFHVURJKSA-N 1 0 357.410 3.673 20 5 FHBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]3Cc3ccccc3)n2)c1 ZINC000025938032 946905354 /nfs/dbraw/zinc/90/53/54/946905354.db2.gz CKFGGDKKEMXXHD-QGZVFWFLSA-N 1 0 364.405 3.852 20 5 FHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000112629327 946911360 /nfs/dbraw/zinc/91/13/60/946911360.db2.gz XZBSHSWVDJYMLC-CQSZACIVSA-N 1 0 366.343 3.695 20 5 FHBDRO COc1cccc(NC2CC[NH+](Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000475356762 946936084 /nfs/dbraw/zinc/93/60/84/946936084.db2.gz NNTZDMUFKXVZLP-UHFFFAOYSA-N 1 0 355.438 3.988 20 5 FHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2ncccc2c1 ZINC000475355274 946936266 /nfs/dbraw/zinc/93/62/66/946936266.db2.gz ZLVINMWQZOAWRZ-AWEZNQCLSA-N 1 0 364.405 3.650 20 5 FHBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@H+]2C[C@@H](O)C3(CC3)C2)cc1 ZINC000428370902 947044297 /nfs/dbraw/zinc/04/42/97/947044297.db2.gz CEYZROSQPLWZML-GOSISDBHSA-N 1 0 374.824 3.997 20 5 FHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCCc3ccc(Cl)cc3)C2)nc1 ZINC000440495516 947049309 /nfs/dbraw/zinc/04/93/09/947049309.db2.gz CAONQPGBWROHQH-MRXNPFEDSA-N 1 0 360.845 3.762 20 5 FHBDRO CC(C)COc1ccccc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440494813 947065260 /nfs/dbraw/zinc/06/52/60/947065260.db2.gz NNDMRZJBPZTKLP-QGZVFWFLSA-N 1 0 370.453 3.711 20 5 FHBDRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444642154 947085049 /nfs/dbraw/zinc/08/50/49/947085049.db2.gz RADZKOOVUCNFID-INIZCTEOSA-N 1 0 350.422 3.987 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@H](c4c(F)cccc4F)C3)nc2c1 ZINC000444685924 947087116 /nfs/dbraw/zinc/08/71/16/947087116.db2.gz BKORLXNFZXFQPV-NSHDSACASA-N 1 0 358.348 3.739 20 5 FHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCO[C@@H]3c3ccc(Cl)cc3)nc2c1 ZINC000444707339 947135388 /nfs/dbraw/zinc/13/53/88/947135388.db2.gz PVIJXOBENUASBA-CRAIPNDOSA-N 1 0 372.812 3.744 20 5 FHBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000523343650 947163389 /nfs/dbraw/zinc/16/33/89/947163389.db2.gz UGBDOZQSKYJMLW-CQSZACIVSA-N 1 0 365.499 3.701 20 5 FHBDRO Cc1c(Br)c(NC2CC[NH+](C(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC000544395487 947434486 /nfs/dbraw/zinc/43/44/86/947434486.db2.gz XWTAMUPNPLKWMC-UHFFFAOYSA-N 1 0 371.279 3.736 20 5 FHBDRO COc1ccc([C@@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000121554700 947747566 /nfs/dbraw/zinc/74/75/66/947747566.db2.gz COBMSQZFWHEGFK-FQEVSTJZSA-N 1 0 371.437 3.553 20 5 FHBDRO CCCCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(F)cc1 ZINC000536378960 947850389 /nfs/dbraw/zinc/85/03/89/947850389.db2.gz QTMLRJUUKLLVAZ-UHFFFAOYSA-N 1 0 361.417 3.588 20 5 FHBDRO CCCCNC(=O)c1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000236798941 948044653 /nfs/dbraw/zinc/04/46/53/948044653.db2.gz ZSEXXVPECCTOJM-UHFFFAOYSA-N 1 0 355.438 3.723 20 5 FHBDRO Cc1sc(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000053968306 948067560 /nfs/dbraw/zinc/06/75/60/948067560.db2.gz YZVMGVRGBZNKFZ-UHFFFAOYSA-N 1 0 373.478 3.668 20 5 FHBDRO COc1ccccc1[C@H](CNc1ccnc2c1cccc2[N+](=O)[O-])[NH+](C)C ZINC000432330059 948100769 /nfs/dbraw/zinc/10/07/69/948100769.db2.gz XCUCSWVFUGODTE-SFHVURJKSA-N 1 0 366.421 3.866 20 5 FHBDRO C[C@@H]1C[C@H]1[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000585729249 948237235 /nfs/dbraw/zinc/23/72/35/948237235.db2.gz ZHZZLXAHICBWTN-SSKCKEOISA-N 1 0 359.813 3.926 20 5 FHBDRO COc1ccc(OCC[N@H+](C)Cc2cc(C)c(OC)c(C)c2)c([N+](=O)[O-])c1 ZINC000441545527 948242112 /nfs/dbraw/zinc/24/21/12/948242112.db2.gz LHHGNDGWIHEQQB-UHFFFAOYSA-N 1 0 374.437 3.740 20 5 FHBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)CCCOC4)o2)c([N+](=O)[O-])c1 ZINC000585767913 948278892 /nfs/dbraw/zinc/27/88/92/948278892.db2.gz FGUTZPABFHLIPH-HXUWFJFHSA-N 1 0 372.421 3.866 20 5 FHBDRO COc1ccc(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)cc1[N+](=O)[O-] ZINC000278971592 948347200 /nfs/dbraw/zinc/34/72/00/948347200.db2.gz XXYQYIRFCNJFFY-UHFFFAOYSA-N 1 0 370.453 3.516 20 5 FHBDRO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000512081862 948375988 /nfs/dbraw/zinc/37/59/88/948375988.db2.gz FIWMXPYLJIAYPF-SFHVURJKSA-N 1 0 371.437 3.688 20 5 FHBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000574735025 948420097 /nfs/dbraw/zinc/42/00/97/948420097.db2.gz LCQDRPPFQANUEC-LRHNDGHRSA-N 1 0 372.469 3.623 20 5 FHBDRO CC1(C)C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2Br)C(C)(C)O1 ZINC000839562520 948603784 /nfs/dbraw/zinc/60/37/84/948603784.db2.gz YXIPPNDHJWWZSG-GFCCVEGCSA-N 1 0 357.248 3.793 20 5 FHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000536481628 948726245 /nfs/dbraw/zinc/72/62/45/948726245.db2.gz LMTJOKHROZDTSD-ZNMIVQPWSA-N 1 0 370.453 3.554 20 5 FHBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000481414154 567915706 /nfs/dbraw/zinc/91/57/06/567915706.db2.gz OEVMLQBTLVJKSX-YPMHNXCESA-N 1 0 358.385 3.868 20 5 FHBDRO C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H](c1ccccc1)[NH+](C)C ZINC000602619503 567998389 /nfs/dbraw/zinc/99/83/89/567998389.db2.gz OGTIPRKKZQLXAX-DJJJIMSYSA-N 1 0 354.410 3.517 20 5 FHBDRO C[C@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000128581843 568027872 /nfs/dbraw/zinc/02/78/72/568027872.db2.gz PQDWPYZXKAGWPQ-HNNXBMFYSA-N 1 0 353.422 3.568 20 5 FHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000568532003 568047333 /nfs/dbraw/zinc/04/73/33/568047333.db2.gz WGTNWSGUBGMDFE-HXUWFJFHSA-N 1 0 369.440 3.975 20 5 FHBDRO O=[N+]([O-])c1ccc([C@@H](NC2CC[NH+](CC3CC3)CC2)C(F)(F)F)cc1 ZINC000568641195 568103784 /nfs/dbraw/zinc/10/37/84/568103784.db2.gz GTKMYBSYSJDHPO-MRXNPFEDSA-N 1 0 357.376 3.662 20 5 FHBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccccc1 ZINC000043745260 568217701 /nfs/dbraw/zinc/21/77/01/568217701.db2.gz FUBPEKHVSKNBSX-INIZCTEOSA-N 1 0 361.467 3.778 20 5 FHBDRO Cc1ccc(C[NH2+]CC2(N3CCSCC3)CCCCC2)cc1[N+](=O)[O-] ZINC000482017837 568231017 /nfs/dbraw/zinc/23/10/17/568231017.db2.gz WJLPABXJIREWAM-UHFFFAOYSA-N 1 0 363.527 3.745 20 5 FHBDRO CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000482049263 568238804 /nfs/dbraw/zinc/23/88/04/568238804.db2.gz NJOJCQWZXRAOEB-MRXNPFEDSA-N 1 0 362.474 3.563 20 5 FHBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000604473328 568298795 /nfs/dbraw/zinc/29/87/95/568298795.db2.gz QBZIKHOPBQIPSR-OAHLLOKOSA-N 1 0 367.405 3.994 20 5 FHBDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000569219207 568313505 /nfs/dbraw/zinc/31/35/05/568313505.db2.gz ZEPDPWKNXBVGNP-VWUUPROJSA-N 1 0 368.433 3.618 20 5 FHBDRO COC(=O)CC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000570106469 568451397 /nfs/dbraw/zinc/45/13/97/568451397.db2.gz JGSLCAPHXVCIPI-ZWKOTPCHSA-N 1 0 354.406 3.866 20 5 FHBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000570178770 568459541 /nfs/dbraw/zinc/45/95/41/568459541.db2.gz DKNLVWXMRIVLJS-CQSZACIVSA-N 1 0 370.384 3.649 20 5 FHBDRO Cc1c(C[NH+]2CCC(Oc3cncc(Cl)c3)CC2)cccc1[N+](=O)[O-] ZINC000570270092 568471416 /nfs/dbraw/zinc/47/14/16/568471416.db2.gz YPBQWULYDHVKKP-UHFFFAOYSA-N 1 0 361.829 3.995 20 5 FHBDRO