smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)[C@@H]1CCC[C@@H](Nc2nc(N[C@H]3CCC[C@@H]([NH+](C)C)C3)sc2[N+](=O)[O-])C1 ZINC000301584924 970990456 /nfs/dbraw/zinc/99/04/56/970990456.db2.gz ONWWUBUKNPYARL-QKPAOTATSA-N 2 0 410.588 3.621 20 5 HHBDRP CC(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(NC3CC[NH+](C(C)C)CC3)n2)CC1 ZINC000302776833 971315617 /nfs/dbraw/zinc/31/56/17/971315617.db2.gz FUDQVYDVKFUMLS-UHFFFAOYSA-N 2 0 404.559 3.559 20 5 HHBDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000537841004 1013402142 /nfs/dbraw/zinc/40/21/42/1013402142.db2.gz IUCYMCHMDWVKCM-UHFFFAOYSA-N 2 0 422.489 3.778 20 5 HHBDRP CC(C)c1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000236719864 970162632 /nfs/dbraw/zinc/16/26/32/970162632.db2.gz LDIFFLUGZHTCLB-UHFFFAOYSA-N 2 0 424.545 3.834 20 5 HHBDRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236870980 970182920 /nfs/dbraw/zinc/18/29/20/970182920.db2.gz FVEDBLWQRCQKEA-GOSISDBHSA-N 2 0 405.502 3.879 20 5 HHBDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000237664481 970333367 /nfs/dbraw/zinc/33/33/67/970333367.db2.gz IAYQQAMQVYIXLI-MRXNPFEDSA-N 2 0 418.925 3.766 20 5 HHBDRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433284674 979215495 /nfs/dbraw/zinc/21/54/95/979215495.db2.gz FGIPTPIYPYOREZ-FQEVSTJZSA-N 2 0 416.566 3.534 20 5 HHBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C1CC1 ZINC000484489448 996811182 /nfs/dbraw/zinc/81/11/82/996811182.db2.gz WORFVSCNGYPZRM-QHCPKHFHSA-N 2 0 409.530 3.662 20 5 HHBDRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000480536952 999820977 /nfs/dbraw/zinc/82/09/77/999820977.db2.gz OSWWPDAUZWRJDF-MRXNPFEDSA-N 2 0 402.564 4.000 20 5 HHBDRP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)s1 ZINC000531759054 1006402574 /nfs/dbraw/zinc/40/25/74/1006402574.db2.gz DPWNTXWHOUMVBD-UXHICEINSA-N 2 0 401.532 3.791 20 5 HHBDRP CN1CCC([NH+]2CCC(CC[N@H+](C)C/C=C\c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000538723216 1007000368 /nfs/dbraw/zinc/00/03/68/1007000368.db2.gz PJVFUSHUTRKDHT-ALCCZGGFSA-N 2 0 400.567 3.736 20 5 HHBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000533409446 1007718065 /nfs/dbraw/zinc/71/80/65/1007718065.db2.gz XXKSQLDZSMMDLW-LJQANCHMSA-N 2 0 402.539 3.820 20 5 HHBDRP CC(C)[NH+]1CCC(Nc2nc(NC3CC[NH+](C(C)C)CC3)c([N+](=O)[O-])s2)CC1 ZINC000301275566 970845572 /nfs/dbraw/zinc/84/55/72/970845572.db2.gz IQQIFSXPUDWVCD-UHFFFAOYSA-N 2 0 410.588 3.621 20 5 HHBDRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000237233510 970245766 /nfs/dbraw/zinc/24/57/66/970245766.db2.gz QEJDSDZRSQPLEH-UHFFFAOYSA-N 2 0 408.424 3.655 20 5 HHBDRP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000237957682 970405133 /nfs/dbraw/zinc/40/51/33/970405133.db2.gz XOXOCGPMRJIQCN-MRXNPFEDSA-N 2 0 401.532 3.914 20 5 HHBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843956 989092183 /nfs/dbraw/zinc/09/21/83/989092183.db2.gz BJYBITUWUJIZKH-FQEVSTJZSA-N 2 0 410.518 3.686 20 5 HHBDRP C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000467874356 993103482 /nfs/dbraw/zinc/10/34/82/993103482.db2.gz LKBJBLXBVBPCFR-GOSISDBHSA-N 2 0 413.518 3.935 20 5 HHBDRP CCOc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000504930367 1000454786 /nfs/dbraw/zinc/45/47/86/1000454786.db2.gz PPTDDJDKLHQRIB-SFHVURJKSA-N 2 0 412.534 3.592 20 5 HHBDRP COc1cc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000513763111 1005114796 /nfs/dbraw/zinc/11/47/96/1005114796.db2.gz VWUWYQAYLBBOEH-UHFFFAOYSA-N 2 0 413.518 3.956 20 5 HHBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000533409444 1007719273 /nfs/dbraw/zinc/71/92/73/1007719273.db2.gz XXKSQLDZSMMDLW-IBGZPJMESA-N 2 0 402.539 3.820 20 5 HHBDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000536702148 1011872771 /nfs/dbraw/zinc/87/27/71/1011872771.db2.gz DZGJNQDLPNEJJD-UHFFFAOYSA-N 2 0 412.490 3.595 20 5 HHBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000541915647 1012773363 /nfs/dbraw/zinc/77/33/63/1012773363.db2.gz VCCDLKBCCNGMSM-VQTJNVASSA-N 2 0 415.559 3.822 20 5 HHBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000303670979 971949354 /nfs/dbraw/zinc/94/93/54/971949354.db2.gz GKCDTQLDEMLCHF-LJQANCHMSA-N 2 0 402.539 3.676 20 5 HHBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000236949217 970192817 /nfs/dbraw/zinc/19/28/17/970192817.db2.gz RNJTWHJQQGBHBK-INIZCTEOSA-N 2 0 420.941 3.871 20 5 HHBDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)cn2)CC1 ZINC000237109411 970223945 /nfs/dbraw/zinc/22/39/45/970223945.db2.gz CWZNJLZYIKCFDC-UHFFFAOYSA-N 2 0 423.542 3.760 20 5 HHBDRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000237234058 970246335 /nfs/dbraw/zinc/24/63/35/970246335.db2.gz FIJSJVKEUSTLIN-UHFFFAOYSA-N 2 0 408.424 3.655 20 5 HHBDRP COc1ccc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1[N+](=O)[O-] ZINC000237377526 970273815 /nfs/dbraw/zinc/27/38/15/970273815.db2.gz XQMMMKQNAWJAAA-UHFFFAOYSA-N 2 0 412.534 3.604 20 5 HHBDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237664533 970333462 /nfs/dbraw/zinc/33/34/62/970333462.db2.gz XUFGBAAZEGFJOP-MRXNPFEDSA-N 2 0 418.925 3.766 20 5 HHBDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000460367833 982144750 /nfs/dbraw/zinc/14/47/50/982144750.db2.gz WVJNFBNYGBVCCG-CYGODWOOSA-N 2 0 410.518 3.670 20 5 HHBDRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000439596284 983465297 /nfs/dbraw/zinc/46/52/97/983465297.db2.gz NVGYRVBETGHVIR-QGZVFWFLSA-N 2 0 422.485 3.937 20 5 HHBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443598916 985775168 /nfs/dbraw/zinc/77/51/68/985775168.db2.gz JGPCZCFJYUYIEO-UHFFFAOYSA-N 2 0 402.539 3.820 20 5 HHBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481180257 994010539 /nfs/dbraw/zinc/01/05/39/994010539.db2.gz KLQZKCRBBIXTFB-WIYYLYMNSA-N 2 0 410.518 3.732 20 5 HHBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481188952 994021261 /nfs/dbraw/zinc/02/12/61/994021261.db2.gz LMCLARCKMSEVIV-RXVVDRJESA-N 2 0 410.518 3.732 20 5 HHBDRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000485714229 998181741 /nfs/dbraw/zinc/18/17/41/998181741.db2.gz DUSDMPINGBDYIU-SFHVURJKSA-N 2 0 404.555 3.524 20 5 HHBDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000500131590 1003491786 /nfs/dbraw/zinc/49/17/86/1003491786.db2.gz WXOLGJSRMGNDAG-SFHVURJKSA-N 2 0 402.539 3.900 20 5 HHBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512281001 1004182947 /nfs/dbraw/zinc/18/29/47/1004182947.db2.gz XKCHNXNIMSJEPX-DEOSSOPVSA-N 2 0 422.529 3.830 20 5 HHBDRP Cn1cc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000540811646 1011472893 /nfs/dbraw/zinc/47/28/93/1011472893.db2.gz UXWOIUSUSKVFQD-UHFFFAOYSA-N 2 0 405.502 3.881 20 5 HHBDRP CC[NH+](CC)CC1CC[NH+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000047978360 968381325 /nfs/dbraw/zinc/38/13/25/968381325.db2.gz KHMJGCLXBVTPNO-UHFFFAOYSA-N 2 0 401.454 3.759 20 5 HHBDRP CC(C)[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)N1CC[NH+](C)CC1 ZINC000236690603 970156123 /nfs/dbraw/zinc/15/61/23/970156123.db2.gz KXYDWIBRPZFJGY-FQEVSTJZSA-N 2 0 402.564 3.685 20 5 HHBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000236949636 970192983 /nfs/dbraw/zinc/19/29/83/970192983.db2.gz KJNTWZZIIUQKDH-KRWDZBQOSA-N 2 0 402.564 3.687 20 5 HHBDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000236973943 970197765 /nfs/dbraw/zinc/19/77/65/970197765.db2.gz HAVSLWYPPLTKHG-HNNXBMFYSA-N 2 0 406.914 3.624 20 5 HHBDRP Cc1c(NC(=O)CC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000443590890 985765837 /nfs/dbraw/zinc/76/58/37/985765837.db2.gz JEPOYVBYMBGMLW-UHFFFAOYSA-N 2 0 402.539 3.820 20 5 HHBDRP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000471239802 989385616 /nfs/dbraw/zinc/38/56/16/989385616.db2.gz ZQGZINUGQZIAKE-IBGZPJMESA-N 2 0 424.545 3.616 20 5 HHBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481188948 994021350 /nfs/dbraw/zinc/02/13/50/994021350.db2.gz LMCLARCKMSEVIV-GHTZIAJQSA-N 2 0 410.518 3.732 20 5 HHBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506480162 1001431890 /nfs/dbraw/zinc/43/18/90/1001431890.db2.gz KUCPPCQIZFPWEQ-OALUTQOASA-N 2 0 402.539 3.818 20 5 HHBDRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)CC1 ZINC000513457224 1004975188 /nfs/dbraw/zinc/97/51/88/1004975188.db2.gz VQNLGCOOARMSHG-KRWDZBQOSA-N 2 0 418.925 3.720 20 5 HHBDRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)CC1 ZINC000513502702 1004993085 /nfs/dbraw/zinc/99/30/85/1004993085.db2.gz DFXDMEWPHDYBFN-QGZVFWFLSA-N 2 0 400.548 3.535 20 5 HHBDRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000521838915 1010651254 /nfs/dbraw/zinc/65/12/54/1010651254.db2.gz LUQNJVLMMXKWIY-JPYJTQIMSA-N 2 0 422.529 3.722 20 5 HHBDRP C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000552080659 1012097707 /nfs/dbraw/zinc/09/77/07/1012097707.db2.gz LRETXKXGCGGWKB-UWJYYQICSA-N 2 0 414.575 3.781 20 5 HHBDRP O=C(NCCC[NH2+]C1CC[NH+](CC2CC2)CC1)c1c2ccccc2nc2ccccc21 ZINC001168368784 1074162295 /nfs/dbraw/zinc/16/22/95/1074162295.db2.gz PGZOGTIAHXOZLU-UHFFFAOYSA-N 2 0 416.569 3.972 20 5 HHBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000537968962 1013545610 /nfs/dbraw/zinc/54/56/10/1013545610.db2.gz GISBRLKFIDXLLK-GOSISDBHSA-N 2 0 410.518 3.580 20 5 HHBDRP O=C(CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000433161504 979107663 /nfs/dbraw/zinc/10/76/63/979107663.db2.gz KDIPFMCCBPCBRW-UHFFFAOYSA-N 2 0 422.529 3.912 20 5 HHBDRP CCC[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000484299818 996688430 /nfs/dbraw/zinc/68/84/30/996688430.db2.gz HEYUVMJSNSLIII-HXUWFJFHSA-N 2 0 404.555 3.652 20 5 HHBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512277027 1004178321 /nfs/dbraw/zinc/17/83/21/1004178321.db2.gz MPBWQBBOBWRGTD-DEOSSOPVSA-N 2 0 422.529 3.830 20 5 HHBDRP COc1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000511520023 1005208919 /nfs/dbraw/zinc/20/89/19/1005208919.db2.gz BCZFBFOFTNWXNL-UHFFFAOYSA-N 2 0 419.444 3.708 20 5 HHBDRP O=C(CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000534965018 1007016620 /nfs/dbraw/zinc/01/66/20/1007016620.db2.gz IBVNIPYINROWIJ-UHFFFAOYSA-N 2 0 422.529 3.912 20 5 HHBDRP O=[N+]([O-])c1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c2c(c1)COCO2 ZINC000535680428 1007708447 /nfs/dbraw/zinc/70/84/47/1007708447.db2.gz MACLCMXMYAUANO-UHFFFAOYSA-N 2 0 423.513 3.949 20 5 HHBDRP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045660 1008255329 /nfs/dbraw/zinc/25/53/29/1008255329.db2.gz UFPJRVDETOVGDM-KRWDZBQOSA-N 2 0 411.506 3.555 20 5 HHBDRP O=[N+]([O-])c1cc(I)cc(C[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000549874611 1009496328 /nfs/dbraw/zinc/49/63/28/1009496328.db2.gz MPUIHMHXOXJBFQ-UHFFFAOYSA-N 2 0 417.291 3.555 20 5 HHBDRP Cc1c([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cccc1[N+](=O)[O-] ZINC000536856755 1012089717 /nfs/dbraw/zinc/08/97/17/1012089717.db2.gz HURBXUJMUTUFJA-GOSISDBHSA-N 2 0 410.518 3.580 20 5 HHBDRP CC[NH+](CC)CCCC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000542014632 1012900432 /nfs/dbraw/zinc/90/04/32/1012900432.db2.gz DGPDJKSSOSULDK-OAQYLSRUSA-N 2 0 402.539 3.534 20 5 HHBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000573965314 1074744972 /nfs/dbraw/zinc/74/49/72/1074744972.db2.gz NXWPYKUVZWAMBC-SFTDATJTSA-N 2 0 422.529 3.686 20 5 HHBDRP C[NH+](C)[C@@H]1CCC[C@H](Nc2nc(N[C@@H]3CCC[C@H]([NH+](C)C)C3)c([N+](=O)[O-])s2)C1 ZINC000301584921 970990605 /nfs/dbraw/zinc/99/06/05/970990605.db2.gz ONWWUBUKNPYARL-FXUDXRNXSA-N 2 0 410.588 3.621 20 5 HHBDRP Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000112648748 969820914 /nfs/dbraw/zinc/82/09/14/969820914.db2.gz NRAMISXSUPIWMK-LJQANCHMSA-N 2 0 402.539 3.676 20 5 HHBDRP Cc1ccc(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000237203076 970240619 /nfs/dbraw/zinc/24/06/19/970240619.db2.gz XLKZPMZWHUOJKE-UHFFFAOYSA-N 2 0 413.518 3.683 20 5 HHBDRP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237463864 970293121 /nfs/dbraw/zinc/29/31/21/970293121.db2.gz XVBIXJOJKBZVFM-LJQANCHMSA-N 2 0 411.502 3.756 20 5 HHBDRP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCC[N@H+]3CCC[C@H]3CO)o2)c(Cl)c1 ZINC000237964624 970406837 /nfs/dbraw/zinc/40/68/37/970406837.db2.gz FNYUESSBINWGJI-INIZCTEOSA-N 2 0 407.898 3.835 20 5 HHBDRP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCC[N@H+]3CCC[C@@H]3CO)o2)c(Cl)c1 ZINC000237977312 970409552 /nfs/dbraw/zinc/40/95/52/970409552.db2.gz FNYUESSBINWGJI-MRXNPFEDSA-N 2 0 407.898 3.835 20 5 HHBDRP C[NH+]1CCC(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)(N2CCCCC2)CC1 ZINC000433289065 979217887 /nfs/dbraw/zinc/21/78/87/979217887.db2.gz NWRRXVGTJCVUQO-OAQYLSRUSA-N 2 0 400.567 3.857 20 5 HHBDRP Cc1c(NC(=O)CC[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000460350354 982122119 /nfs/dbraw/zinc/12/21/19/982122119.db2.gz UEUUWLGINMYHSH-PFWHTEFJSA-N 2 0 424.545 3.978 20 5 HHBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000460353878 982127365 /nfs/dbraw/zinc/12/73/65/982127365.db2.gz RINFBBDIRDAIIR-OALUTQOASA-N 2 0 424.545 3.978 20 5 HHBDRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000479896692 999640037 /nfs/dbraw/zinc/64/00/37/999640037.db2.gz ZVBOHNFYNJJITF-UHFFFAOYSA-N 2 0 400.498 3.734 20 5 HHBDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000492835385 1000146004 /nfs/dbraw/zinc/14/60/04/1000146004.db2.gz TXGZJBBSWVBGGB-INIZCTEOSA-N 2 0 416.497 3.735 20 5 HHBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495368872 1000986999 /nfs/dbraw/zinc/98/69/99/1000986999.db2.gz LMKINPASAIMPBF-HBFSDRIKSA-N 2 0 410.518 3.812 20 5 HHBDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000500131589 1003491748 /nfs/dbraw/zinc/49/17/48/1003491748.db2.gz WXOLGJSRMGNDAG-GOSISDBHSA-N 2 0 402.539 3.900 20 5 HHBDRP O=C(CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000512247110 1004150749 /nfs/dbraw/zinc/15/07/49/1004150749.db2.gz WJRJURFMLJPOBR-HSZRJFAPSA-N 2 0 408.502 3.521 20 5 HHBDRP CN1CCC([NH+]2CCC(CC[N@H+](C)C/C=C/c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000538723217 1006999978 /nfs/dbraw/zinc/99/99/78/1006999978.db2.gz PJVFUSHUTRKDHT-FNORWQNLSA-N 2 0 400.567 3.736 20 5 HHBDRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000237164759 970234461 /nfs/dbraw/zinc/23/44/61/970234461.db2.gz XQWZLTRXUMQCGZ-UHFFFAOYSA-N 2 0 420.941 3.871 20 5 HHBDRP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237425939 970283175 /nfs/dbraw/zinc/28/31/75/970283175.db2.gz LZGRFKXQLYPLDQ-LJQANCHMSA-N 2 0 411.502 3.756 20 5 HHBDRP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000237957654 970405177 /nfs/dbraw/zinc/40/51/77/970405177.db2.gz XOXOCGPMRJIQCN-INIZCTEOSA-N 2 0 401.532 3.914 20 5 HHBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000460356239 982128852 /nfs/dbraw/zinc/12/88/52/982128852.db2.gz BCAPISVQUBNYRI-OALUTQOASA-N 2 0 424.545 3.978 20 5 HHBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460356238 982129132 /nfs/dbraw/zinc/12/91/32/982129132.db2.gz BCAPISVQUBNYRI-HROJSSOGSA-N 2 0 424.545 3.978 20 5 HHBDRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000442872137 985253426 /nfs/dbraw/zinc/25/34/26/985253426.db2.gz JFWGWYILBRPJFZ-MRXNPFEDSA-N 2 0 402.564 4.000 20 5 HHBDRP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000482633475 995627312 /nfs/dbraw/zinc/62/73/12/995627312.db2.gz QQVMCJGWVBETBG-RBBKRZOGSA-N 2 0 410.518 3.533 20 5 HHBDRP CCC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000482633559 995628440 /nfs/dbraw/zinc/62/84/40/995628440.db2.gz RAQLFLDZUOOPDA-GGAORHGYSA-N 2 0 424.545 3.923 20 5 HHBDRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000488693230 999575391 /nfs/dbraw/zinc/57/53/91/999575391.db2.gz LOHUPIZMQYAZBJ-UHFFFAOYSA-N 2 0 419.485 3.517 20 5 HHBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495433041 1001011040 /nfs/dbraw/zinc/01/10/40/1001011040.db2.gz MTUOQTAIYDHPRA-HBFSDRIKSA-N 2 0 410.518 3.812 20 5 HHBDRP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506030090 1001174984 /nfs/dbraw/zinc/17/49/84/1001174984.db2.gz FVSAXDPWEVGKHA-UHFFFAOYSA-N 2 0 405.539 3.706 20 5 HHBDRP O=C(CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)Nc1ccccc1[N+](=O)[O-] ZINC000500072423 1003423814 /nfs/dbraw/zinc/42/38/14/1003423814.db2.gz CHNMADDTSJLSRO-DEOSSOPVSA-N 2 0 422.529 3.912 20 5 HHBDRP COc1ccc(-c2ccc(C[NH2+]CC3(SC)CC[NH+](C)CC3)o2)c([N+](=O)[O-])c1 ZINC000515492946 1006497951 /nfs/dbraw/zinc/49/79/51/1006497951.db2.gz DKPFMHQVPKEFDI-UHFFFAOYSA-N 2 0 405.520 3.780 20 5 HHBDRP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843393 1013405090 /nfs/dbraw/zinc/40/50/90/1013405090.db2.gz QENYXIMYNWTBFX-QGZVFWFLSA-N 2 0 411.506 3.555 20 5 HHBDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000537843963 1013406768 /nfs/dbraw/zinc/40/67/68/1013406768.db2.gz ZPBLIVKJDCZDPO-UHFFFAOYSA-N 2 0 422.489 3.778 20 5 HHBDRP CC(C)[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)N1CC[NH+](C)CC1 ZINC000236704493 970159378 /nfs/dbraw/zinc/15/93/78/970159378.db2.gz KXYDWIBRPZFJGY-HXUWFJFHSA-N 2 0 402.564 3.685 20 5 HHBDRP CC(C)[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)N1CC[NH+](C)CC1 ZINC000236704816 970159500 /nfs/dbraw/zinc/15/95/00/970159500.db2.gz VRRIBWIXRIWHIZ-HXUWFJFHSA-N 2 0 402.564 3.685 20 5 HHBDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000236981757 970200449 /nfs/dbraw/zinc/20/04/49/970200449.db2.gz YYQGGSPROIWZFI-MRXNPFEDSA-N 2 0 416.497 3.735 20 5 HHBDRP CC1(C)C[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433153281 979103233 /nfs/dbraw/zinc/10/32/33/979103233.db2.gz OUCSGIYIHOGCOA-QFIPXVFZSA-N 2 0 409.534 3.514 20 5 HHBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000460353879 982127544 /nfs/dbraw/zinc/12/75/44/982127544.db2.gz RINFBBDIRDAIIR-RTBURBONSA-N 2 0 424.545 3.978 20 5 HHBDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000472154057 993206440 /nfs/dbraw/zinc/20/64/40/993206440.db2.gz JMOVNRIIIVUCNW-KRWDZBQOSA-N 2 0 416.497 3.642 20 5 HHBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481180256 994010344 /nfs/dbraw/zinc/01/03/44/994010344.db2.gz KLQZKCRBBIXTFB-RXVVDRJESA-N 2 0 410.518 3.732 20 5 HHBDRP CCC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000482633561 995628476 /nfs/dbraw/zinc/62/84/76/995628476.db2.gz RAQLFLDZUOOPDA-GMAHTHKFSA-N 2 0 424.545 3.923 20 5 HHBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000480624607 999844092 /nfs/dbraw/zinc/84/40/92/999844092.db2.gz KWGYDYFXCDXOEQ-IAGOWNOFSA-N 2 0 402.564 4.000 20 5 HHBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506480164 1001431658 /nfs/dbraw/zinc/43/16/58/1001431658.db2.gz KUCPPCQIZFPWEQ-RBUKOAKNSA-N 2 0 402.539 3.818 20 5 HHBDRP O=C(CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000512284824 1004187134 /nfs/dbraw/zinc/18/71/34/1004187134.db2.gz DRJQJIRPYNYIOQ-QHCPKHFHSA-N 2 0 408.502 3.521 20 5 HHBDRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)CC1 ZINC000513457225 1004974967 /nfs/dbraw/zinc/97/49/67/1004974967.db2.gz VQNLGCOOARMSHG-QGZVFWFLSA-N 2 0 418.925 3.720 20 5 HHBDRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)CC1 ZINC000513466956 1004979065 /nfs/dbraw/zinc/97/90/65/1004979065.db2.gz NHYPDGVKPASKTH-IBGZPJMESA-N 2 0 400.548 3.535 20 5 HHBDRP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)s2)cc1 ZINC000532269980 1006760470 /nfs/dbraw/zinc/76/04/70/1006760470.db2.gz KATPBEUOJBWIDS-UXHICEINSA-N 2 0 401.532 3.791 20 5 HHBDRP CC[N@H+](CCC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1)CC1CC1 ZINC000540049837 1008258872 /nfs/dbraw/zinc/25/88/72/1008258872.db2.gz JGELVLJUKRDBNY-JOCHJYFZSA-N 2 0 414.550 3.534 20 5 HHBDRP CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000543775198 1009343833 /nfs/dbraw/zinc/34/38/33/1009343833.db2.gz BBAYEZBEVXSJTJ-UWJYYQICSA-N 2 0 413.518 3.801 20 5 HHBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052713767 964960164 /nfs/dbraw/zinc/96/01/64/964960164.db2.gz LDZBZYBQAXFBEC-UHFFFAOYSA-N 2 0 418.538 3.520 20 5 HHBDRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000236941449 970192019 /nfs/dbraw/zinc/19/20/19/970192019.db2.gz DEUILILMZVNYLY-UHFFFAOYSA-N 2 0 402.564 3.831 20 5 HHBDRP Cc1ccc(Sc2ccc(C[NH2+]CCCN3CC[NH+](C)CC3)cc2[N+](=O)[O-])cc1 ZINC000237207668 970241557 /nfs/dbraw/zinc/24/15/57/970241557.db2.gz RXLGWEXXOAZFEW-UHFFFAOYSA-N 2 0 414.575 3.782 20 5 HHBDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000492835387 1000146106 /nfs/dbraw/zinc/14/61/06/1000146106.db2.gz TXGZJBBSWVBGGB-MRXNPFEDSA-N 2 0 416.497 3.735 20 5 HHBDRP CCOc1ccc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000504900086 1000435810 /nfs/dbraw/zinc/43/58/10/1000435810.db2.gz QVSOKXIVIAJEAC-GOSISDBHSA-N 2 0 404.555 3.594 20 5 HHBDRP O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)co2)cc1 ZINC000506021052 1001168031 /nfs/dbraw/zinc/16/80/31/1001168031.db2.gz AQIBDQZGVOHRIX-UHFFFAOYSA-N 2 0 414.506 3.574 20 5 HHBDRP C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501046544 1004147199 /nfs/dbraw/zinc/14/71/99/1004147199.db2.gz PTOIOIXCIVYQRD-UHFFFAOYSA-N 2 0 407.474 3.993 20 5 HHBDRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000538604274 1006876687 /nfs/dbraw/zinc/87/66/87/1006876687.db2.gz NQSZUXLOCFUSCG-UHFFFAOYSA-N 2 0 406.914 3.624 20 5 HHBDRP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045666 1008255157 /nfs/dbraw/zinc/25/51/57/1008255157.db2.gz UFPJRVDETOVGDM-QGZVFWFLSA-N 2 0 411.506 3.555 20 5 HHBDRP CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000543775194 1009343278 /nfs/dbraw/zinc/34/32/78/1009343278.db2.gz BBAYEZBEVXSJTJ-LAUBAEHRSA-N 2 0 413.518 3.801 20 5 HHBDRP Cc1cc(N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302404182 971233827 /nfs/dbraw/zinc/23/38/27/971233827.db2.gz FLXMZODRURFTOY-HSZRJFAPSA-N 2 0 406.486 3.525 20 5 HHBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000537621503 1013166550 /nfs/dbraw/zinc/16/65/50/1013166550.db2.gz UNSOQEFPUXUKMI-UHFFFAOYSA-N 2 0 418.582 3.622 20 5 HHBDRP Cc1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000237233047 970245700 /nfs/dbraw/zinc/24/57/00/970245700.db2.gz WEFZHXQBKPYRNI-UHFFFAOYSA-N 2 0 422.451 3.964 20 5 HHBDRP C[C@H](CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000237465829 970293271 /nfs/dbraw/zinc/29/32/71/970293271.db2.gz QMLRYXIEENOFKK-GOSISDBHSA-N 2 0 407.518 3.996 20 5 HHBDRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)cc2)CC1 ZINC000433171077 979115402 /nfs/dbraw/zinc/11/54/02/979115402.db2.gz CDHNPYOTARRKAS-HSZRJFAPSA-N 2 0 408.546 3.854 20 5 HHBDRP COc1ccc(OCC[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000441516329 984298433 /nfs/dbraw/zinc/29/84/33/984298433.db2.gz XZEKTGWGFKYAQE-UHFFFAOYSA-N 2 0 413.518 3.826 20 5 HHBDRP COc1ccc([C@@H](CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)[NH+](C)C)cc1OC ZINC000443450265 985616446 /nfs/dbraw/zinc/61/64/46/985616446.db2.gz VHJIVGHXHJUKFX-HXUWFJFHSA-N 2 0 410.474 3.605 20 5 HHBDRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000472131229 993183822 /nfs/dbraw/zinc/18/38/22/993183822.db2.gz WOLNUFKDPATWLM-UHFFFAOYSA-N 2 0 402.564 3.829 20 5 HHBDRP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C1CC1 ZINC000484489447 996811433 /nfs/dbraw/zinc/81/14/33/996811433.db2.gz WORFVSCNGYPZRM-HSZRJFAPSA-N 2 0 409.530 3.662 20 5 HHBDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000484495835 996821148 /nfs/dbraw/zinc/82/11/48/996821148.db2.gz RCNQZVOVKNOXFV-INIZCTEOSA-N 2 0 402.564 4.000 20 5 HHBDRP CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000504905744 1000439654 /nfs/dbraw/zinc/43/96/54/1000439654.db2.gz NGHVLFJGXSPOSI-QGZVFWFLSA-N 2 0 413.518 3.801 20 5 HHBDRP O=C1[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000497318817 1001289987 /nfs/dbraw/zinc/28/99/87/1001289987.db2.gz CFTJDNOSYFCPDD-HSZRJFAPSA-N 2 0 422.529 3.866 20 5 HHBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506480165 1001432238 /nfs/dbraw/zinc/43/22/38/1001432238.db2.gz KUCPPCQIZFPWEQ-RTBURBONSA-N 2 0 402.539 3.818 20 5 HHBDRP O=[N+]([O-])c1ccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(C(F)(F)F)c1 ZINC000498685270 1002073497 /nfs/dbraw/zinc/07/34/97/1002073497.db2.gz BRXVALDMFPDUNG-UHFFFAOYSA-N 2 0 409.412 3.633 20 5 HHBDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000517557737 1007768814 /nfs/dbraw/zinc/76/88/14/1007768814.db2.gz TUOGPDSBRADVJY-JPYJTQIMSA-N 2 0 422.529 3.864 20 5 HHBDRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000540172723 1008322225 /nfs/dbraw/zinc/32/22/25/1008322225.db2.gz UILQCESFUAGSRW-QFIPXVFZSA-N 2 0 410.518 3.661 20 5 HHBDRP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C1CC1 ZINC000543773499 1009341831 /nfs/dbraw/zinc/34/18/31/1009341831.db2.gz KBMXKONRMHOKDF-XZOQPEGZSA-N 2 0 409.530 3.662 20 5 HHBDRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000521838914 1010651427 /nfs/dbraw/zinc/65/14/27/1010651427.db2.gz LUQNJVLMMXKWIY-FDDCHVKYSA-N 2 0 422.529 3.722 20 5 HHBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000541915648 1012773665 /nfs/dbraw/zinc/77/36/65/1012773665.db2.gz VCCDLKBCCNGMSM-WOJBJXKFSA-N 2 0 415.559 3.822 20 5 HHBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000541915646 1012774329 /nfs/dbraw/zinc/77/43/29/1012774329.db2.gz VCCDLKBCCNGMSM-UXHICEINSA-N 2 0 415.559 3.822 20 5 HHBDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000236973557 970198133 /nfs/dbraw/zinc/19/81/33/970198133.db2.gz YTCRNSZDLDUUDK-KRWDZBQOSA-N 2 0 416.497 3.642 20 5 HHBDRP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)ccn2)CC1 ZINC000237105704 970223158 /nfs/dbraw/zinc/22/31/58/970223158.db2.gz UMJQXONLGURCJW-UHFFFAOYSA-N 2 0 423.542 3.760 20 5 HHBDRP C[C@H](C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000237577742 970315960 /nfs/dbraw/zinc/31/59/60/970315960.db2.gz FSVCVHFIQOAOGV-MRXNPFEDSA-N 2 0 418.925 3.766 20 5 HHBDRP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237766547 970360549 /nfs/dbraw/zinc/36/05/49/970360549.db2.gz UHGONBBFCNFETC-FQEVSTJZSA-N 2 0 419.529 3.650 20 5 HHBDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)cn2)CC1 ZINC000433151467 979101530 /nfs/dbraw/zinc/10/15/30/979101530.db2.gz NRCIXAXVBSXXPS-NRFANRHFSA-N 2 0 409.534 3.644 20 5 HHBDRP Cc1c(NC(=O)CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000481190787 994022939 /nfs/dbraw/zinc/02/29/39/994022939.db2.gz OYQWWLNINYHVPQ-YLJYHZDGSA-N 2 0 410.518 3.732 20 5 HHBDRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000485714228 998181357 /nfs/dbraw/zinc/18/13/57/998181357.db2.gz DUSDMPINGBDYIU-GOSISDBHSA-N 2 0 404.555 3.524 20 5 HHBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000480624608 999844115 /nfs/dbraw/zinc/84/41/15/999844115.db2.gz KWGYDYFXCDXOEQ-IRXDYDNUSA-N 2 0 402.564 4.000 20 5 HHBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495368874 1000986840 /nfs/dbraw/zinc/98/68/40/1000986840.db2.gz LMKINPASAIMPBF-WSTZPKSXSA-N 2 0 410.518 3.812 20 5 HHBDRP O=C(CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000512247111 1004150302 /nfs/dbraw/zinc/15/03/02/1004150302.db2.gz WJRJURFMLJPOBR-QHCPKHFHSA-N 2 0 408.502 3.521 20 5 HHBDRP C[C@@H](C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)CN1CC[NH+](C)CC1 ZINC000532487381 1006927980 /nfs/dbraw/zinc/92/79/80/1006927980.db2.gz JJXZWNKWPZNKNW-IRXDYDNUSA-N 2 0 402.564 3.857 20 5 HHBDRP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549868509 1009488909 /nfs/dbraw/zinc/48/89/09/1009488909.db2.gz XITAOFLAPAWBIJ-JOCHJYFZSA-N 2 0 409.530 3.922 20 5 HHBDRP CCc1ccc([C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541545430 1012331779 /nfs/dbraw/zinc/33/17/79/1012331779.db2.gz MWUKCALANACPHD-HSZRJFAPSA-N 2 0 414.550 3.703 20 5 HHBDRP C[NH+](C)C1(CNc2nc(NCC3([NH+](C)C)CCCC3)c([N+](=O)[O-])s2)CCCC1 ZINC000524005017 1012752019 /nfs/dbraw/zinc/75/20/19/1012752019.db2.gz PWGOUJYYPQFJRI-UHFFFAOYSA-N 2 0 410.588 3.624 20 5 HHBDRP CC[NH+]1CCN(c2ccc(CNc3cc(C)[nH+]c4ccc([N+](=O)[O-])cc34)cn2)CC1 ZINC000302184185 971200805 /nfs/dbraw/zinc/20/08/05/971200805.db2.gz OTTWVRPDLPJGSJ-UHFFFAOYSA-N 2 0 406.490 3.600 20 5 HHBDRP COc1ccc(NC(=O)CC[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000052713759 964960615 /nfs/dbraw/zinc/96/06/15/964960615.db2.gz LYNIWIOTXHKENE-UHFFFAOYSA-N 2 0 418.538 3.520 20 5 HHBDRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000236944343 970192201 /nfs/dbraw/zinc/19/22/01/970192201.db2.gz KYSIRCRHCHBMBD-UHFFFAOYSA-N 2 0 416.497 3.643 20 5 HHBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000236953295 970193600 /nfs/dbraw/zinc/19/36/00/970193600.db2.gz RNJTWHJQQGBHBK-MRXNPFEDSA-N 2 0 420.941 3.871 20 5 HHBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000236953583 970193853 /nfs/dbraw/zinc/19/38/53/970193853.db2.gz KJNTWZZIIUQKDH-QGZVFWFLSA-N 2 0 402.564 3.687 20 5 HHBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000460356240 982129012 /nfs/dbraw/zinc/12/90/12/982129012.db2.gz BCAPISVQUBNYRI-RTBURBONSA-N 2 0 424.545 3.978 20 5 HHBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000472154065 993206477 /nfs/dbraw/zinc/20/64/77/993206477.db2.gz JMOVNRIIIVUCNW-QGZVFWFLSA-N 2 0 416.497 3.642 20 5 HHBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C1CC1 ZINC000482546853 995554927 /nfs/dbraw/zinc/55/49/27/995554927.db2.gz HBFXFSNXTSFVKD-QHCPKHFHSA-N 2 0 409.530 3.662 20 5 HHBDRP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000482633477 995627391 /nfs/dbraw/zinc/62/73/91/995627391.db2.gz QQVMCJGWVBETBG-UNMCSNQZSA-N 2 0 410.518 3.533 20 5 HHBDRP CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1[N+](=O)[O-] ZINC000504899999 1000435875 /nfs/dbraw/zinc/43/58/75/1000435875.db2.gz PKINGZJLWYRUEL-KRWDZBQOSA-N 2 0 413.518 3.801 20 5 HHBDRP COc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000506880602 1001578167 /nfs/dbraw/zinc/57/81/67/1001578167.db2.gz JGXGEIHZMSYSLO-UHFFFAOYSA-N 2 0 413.518 3.956 20 5 HHBDRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000531142075 1006014811 /nfs/dbraw/zinc/01/48/11/1006014811.db2.gz IHECIKZCAFGCQL-UHFFFAOYSA-N 2 0 416.497 3.642 20 5 HHBDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)CC1 ZINC000538721607 1006995544 /nfs/dbraw/zinc/99/55/44/1006995544.db2.gz UGAMASBXIARCQI-SFHVURJKSA-N 2 0 414.575 3.924 20 5 HHBDRP CN1CC[NH+](CCCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000518761211 1008415892 /nfs/dbraw/zinc/41/58/92/1008415892.db2.gz CQBPIXYQNHWKNF-UHFFFAOYSA-N 2 0 416.497 3.643 20 5 HHBDRP Cc1c([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cccc1[N+](=O)[O-] ZINC000536856768 1012090484 /nfs/dbraw/zinc/09/04/84/1012090484.db2.gz HURBXUJMUTUFJA-SFHVURJKSA-N 2 0 410.518 3.580 20 5 HHBDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000110914783 969740433 /nfs/dbraw/zinc/74/04/33/969740433.db2.gz KDOCRSPZIIPMQP-UHFFFAOYSA-N 2 0 411.502 3.805 20 5 HHBDRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236870748 970183370 /nfs/dbraw/zinc/18/33/70/970183370.db2.gz FVEDBLWQRCQKEA-SFHVURJKSA-N 2 0 405.502 3.879 20 5 HHBDRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000236941123 970192130 /nfs/dbraw/zinc/19/21/30/970192130.db2.gz NNEUHNGEOTXZNW-UHFFFAOYSA-N 2 0 402.564 3.831 20 5 HHBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000236953266 970193738 /nfs/dbraw/zinc/19/37/38/970193738.db2.gz UBRGDCZTCAVCAE-QGZVFWFLSA-N 2 0 402.564 3.687 20 5 HHBDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000236984985 970200866 /nfs/dbraw/zinc/20/08/66/970200866.db2.gz YYQGGSPROIWZFI-INIZCTEOSA-N 2 0 416.497 3.735 20 5 HHBDRP Cc1ccc(Sc2ccc(C[NH2+]C[C@@H](C)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])cc1 ZINC000237578197 970315707 /nfs/dbraw/zinc/31/57/07/970315707.db2.gz OZJFRNVFOIEJKM-GOSISDBHSA-N 2 0 414.575 3.780 20 5 HHBDRP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)s2)cc1 ZINC000238000519 970414632 /nfs/dbraw/zinc/41/46/32/970414632.db2.gz SVPNOQVPZQDCSK-MRXNPFEDSA-N 2 0 401.532 3.914 20 5 HHBDRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433284676 979215585 /nfs/dbraw/zinc/21/55/85/979215585.db2.gz FGIPTPIYPYOREZ-HXUWFJFHSA-N 2 0 416.566 3.534 20 5 HHBDRP Cc1c(NC(=O)CC[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000460350356 982122309 /nfs/dbraw/zinc/12/23/09/982122309.db2.gz UEUUWLGINMYHSH-QZTJIDSGSA-N 2 0 424.545 3.978 20 5 HHBDRP Cc1c(NC(=O)CC[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000464837838 989081887 /nfs/dbraw/zinc/08/18/87/989081887.db2.gz VEKCFIRQSKZNJS-HXUWFJFHSA-N 2 0 410.518 3.686 20 5 HHBDRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000471604954 989808884 /nfs/dbraw/zinc/80/88/84/989808884.db2.gz YYOLUVGBXWMXNB-DLBZAZTESA-N 2 0 402.564 4.000 20 5 HHBDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000472135662 993189085 /nfs/dbraw/zinc/18/90/85/993189085.db2.gz BSJQMFPYXFPMBL-HNNXBMFYSA-N 2 0 406.914 3.624 20 5 HHBDRP Cn1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000475219868 996004971 /nfs/dbraw/zinc/00/49/71/996004971.db2.gz LVPZVKOIHUNALW-LJQANCHMSA-N 2 0 405.502 3.607 20 5 HHBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000480624609 999844035 /nfs/dbraw/zinc/84/40/35/999844035.db2.gz KWGYDYFXCDXOEQ-SJORKVTESA-N 2 0 402.564 4.000 20 5 HHBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495368873 1000986737 /nfs/dbraw/zinc/98/67/37/1000986737.db2.gz LMKINPASAIMPBF-QWFCFKBJSA-N 2 0 410.518 3.812 20 5 HHBDRP O=C(CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500119135 1003480565 /nfs/dbraw/zinc/48/05/65/1003480565.db2.gz VITAERLEXOTQIG-UNMCSNQZSA-N 2 0 422.529 3.910 20 5 HHBDRP COc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000513741476 1005105115 /nfs/dbraw/zinc/10/51/15/1005105115.db2.gz NTOVNYGXANXFJB-UHFFFAOYSA-N 2 0 413.518 3.956 20 5 HHBDRP COc1ccc(OCC[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000536724772 1011897037 /nfs/dbraw/zinc/89/70/37/1011897037.db2.gz STKYCMLOVCVJSL-UHFFFAOYSA-N 2 0 414.506 3.616 20 5 HHBDRP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000536855696 1012088935 /nfs/dbraw/zinc/08/89/35/1012088935.db2.gz BJSWFQJOXNTBTR-SFHVURJKSA-N 2 0 410.518 3.580 20 5 HHBDRP O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)c2c1 ZINC000588933662 1073349154 /nfs/dbraw/zinc/34/91/54/1073349154.db2.gz VEUQSYPEEABEPR-UHFFFAOYSA-N 2 0 408.502 3.883 20 5 HHBDRP C[NH+](C)[C@@H]1CCC[C@H](Nc2nc(N[C@H]3CCC[C@H]([NH+](C)C)C3)c([N+](=O)[O-])s2)C1 ZINC000301584928 970990729 /nfs/dbraw/zinc/99/07/29/970990729.db2.gz ONWWUBUKNPYARL-YHUYYLMFSA-N 2 0 410.588 3.621 20 5 HHBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000537968963 1013546091 /nfs/dbraw/zinc/54/60/91/1013546091.db2.gz GISBRLKFIDXLLK-SFHVURJKSA-N 2 0 410.518 3.580 20 5 HHBDRP C[NH+]1CCC(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237067510 970217468 /nfs/dbraw/zinc/21/74/68/970217468.db2.gz IWGKPZFAFZOUBX-UHFFFAOYSA-N 2 0 405.502 3.879 20 5 HHBDRP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237443371 970289306 /nfs/dbraw/zinc/28/93/06/970289306.db2.gz XVBIXJOJKBZVFM-IBGZPJMESA-N 2 0 411.502 3.756 20 5 HHBDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000237501491 970302951 /nfs/dbraw/zinc/30/29/51/970302951.db2.gz IAYQQAMQVYIXLI-INIZCTEOSA-N 2 0 418.925 3.766 20 5 HHBDRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1(C)C ZINC000441351341 984201802 /nfs/dbraw/zinc/20/18/02/984201802.db2.gz CVUJMLBWPQRAKB-UHFFFAOYSA-N 2 0 406.914 3.624 20 5 HHBDRP Cc1c(NC(=O)CC[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000464837837 989081292 /nfs/dbraw/zinc/08/12/92/989081292.db2.gz VEKCFIRQSKZNJS-FQEVSTJZSA-N 2 0 410.518 3.686 20 5 HHBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843131 989090122 /nfs/dbraw/zinc/09/01/22/989090122.db2.gz QKCSZKJDTVEIKY-HXUWFJFHSA-N 2 0 410.518 3.686 20 5 HHBDRP C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000482263113 995241185 /nfs/dbraw/zinc/24/11/85/995241185.db2.gz LFTLOTGJTBGWHZ-GOSISDBHSA-N 2 0 413.518 3.935 20 5 HHBDRP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000482633471 995627132 /nfs/dbraw/zinc/62/71/32/995627132.db2.gz QQVMCJGWVBETBG-IRLDBZIGSA-N 2 0 410.518 3.533 20 5 HHBDRP COc1ccc(CN(C)C[C@H]2CCC[N@H+](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508554704 1003026644 /nfs/dbraw/zinc/02/66/44/1003026644.db2.gz WEUVTUWMFDUBCO-FQEVSTJZSA-N 2 0 413.518 3.956 20 5 HHBDRP C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000500978225 1004091199 /nfs/dbraw/zinc/09/11/99/1004091199.db2.gz MTNRSGOOGOMISI-UHFFFAOYSA-N 2 0 411.506 3.557 20 5 HHBDRP Cc1c(NC(=O)CC[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cccc1[N+](=O)[O-] ZINC000512292938 1004195910 /nfs/dbraw/zinc/19/59/10/1004195910.db2.gz RBSKEPRJQLSIBO-XMMPIXPASA-N 2 0 422.529 3.830 20 5 HHBDRP COc1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000501780228 1004720036 /nfs/dbraw/zinc/72/00/36/1004720036.db2.gz YDIXCHZJAYVZFM-UHFFFAOYSA-N 2 0 401.454 3.759 20 5 HHBDRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)CC1 ZINC000513466957 1004979351 /nfs/dbraw/zinc/97/93/51/1004979351.db2.gz NHYPDGVKPASKTH-LJQANCHMSA-N 2 0 400.548 3.535 20 5 HHBDRP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)s1 ZINC000531759051 1006402507 /nfs/dbraw/zinc/40/25/07/1006402507.db2.gz DPWNTXWHOUMVBD-PMACEKPBSA-N 2 0 401.532 3.791 20 5 HHBDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000515519788 1006511646 /nfs/dbraw/zinc/51/16/46/1006511646.db2.gz YPJKVKOHKWADKM-QZTJIDSGSA-N 2 0 410.518 3.944 20 5 HHBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000532938830 1007310335 /nfs/dbraw/zinc/31/03/35/1007310335.db2.gz SXCANWODDYUMOE-LJQANCHMSA-N 2 0 402.539 3.676 20 5 HHBDRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000521838917 1010651564 /nfs/dbraw/zinc/65/15/64/1010651564.db2.gz LUQNJVLMMXKWIY-WZONZLPQSA-N 2 0 422.529 3.722 20 5 HHBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000573965311 1074744799 /nfs/dbraw/zinc/74/47/99/1074744799.db2.gz NXWPYKUVZWAMBC-LEWJYISDSA-N 2 0 422.529 3.686 20 5 HHBDRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000110463388 969672424 /nfs/dbraw/zinc/67/24/24/969672424.db2.gz ZAFRBJAEPKNPTL-UHFFFAOYSA-N 2 0 406.914 3.624 20 5 HHBDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000110797690 969724767 /nfs/dbraw/zinc/72/47/67/969724767.db2.gz SPCJYWGRHITHDC-UHFFFAOYSA-N 2 0 410.518 3.767 20 5 HHBDRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000237167356 970234427 /nfs/dbraw/zinc/23/44/27/970234427.db2.gz NVSIUXJSWBACPN-UHFFFAOYSA-N 2 0 406.914 3.624 20 5 HHBDRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000237167155 970234549 /nfs/dbraw/zinc/23/45/49/970234549.db2.gz KSURNECLZJNTTO-UHFFFAOYSA-N 2 0 416.497 3.642 20 5 HHBDRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000237172427 970235208 /nfs/dbraw/zinc/23/52/08/970235208.db2.gz QVYYPMHNOXUYNO-UHFFFAOYSA-N 2 0 416.497 3.643 20 5 HHBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481180254 994010385 /nfs/dbraw/zinc/01/03/85/994010385.db2.gz KLQZKCRBBIXTFB-GHTZIAJQSA-N 2 0 410.518 3.732 20 5 HHBDRP CCC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000484299817 996688507 /nfs/dbraw/zinc/68/85/07/996688507.db2.gz HEYUVMJSNSLIII-FQEVSTJZSA-N 2 0 404.555 3.652 20 5 HHBDRP CCOc1cc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000492628245 1000136009 /nfs/dbraw/zinc/13/60/09/1000136009.db2.gz GMJASIWSQFIMRK-QZTJIDSGSA-N 2 0 405.539 3.705 20 5 HHBDRP CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000504930366 1000454890 /nfs/dbraw/zinc/45/48/90/1000454890.db2.gz PPTDDJDKLHQRIB-GOSISDBHSA-N 2 0 412.534 3.592 20 5 HHBDRP O=C(CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000501019395 1004121496 /nfs/dbraw/zinc/12/14/96/1004121496.db2.gz DBHNDTBDXVGFNU-UHFFFAOYSA-N 2 0 422.529 3.912 20 5 HHBDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000515519787 1006510937 /nfs/dbraw/zinc/51/09/37/1006510937.db2.gz YPJKVKOHKWADKM-MSOLQXFVSA-N 2 0 410.518 3.944 20 5 HHBDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000515519790 1006511119 /nfs/dbraw/zinc/51/11/19/1006511119.db2.gz YPJKVKOHKWADKM-ZWKOTPCHSA-N 2 0 410.518 3.944 20 5 HHBDRP Cc1ccc(Sc2ccc(C[NH2+]CC3(O)CC[NH+](C)CC3)cc2[N+](=O)[O-])cc1 ZINC000538419280 1006688162 /nfs/dbraw/zinc/68/81/62/1006688162.db2.gz IBNZHYMAOYSVTJ-UHFFFAOYSA-N 2 0 401.532 3.601 20 5 HHBDRP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)s2)cc1 ZINC000532269982 1006760673 /nfs/dbraw/zinc/76/06/73/1006760673.db2.gz KATPBEUOJBWIDS-WOJBJXKFSA-N 2 0 401.532 3.791 20 5 HHBDRP C[C@H](C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)CN1CC[NH+](C)CC1 ZINC000532487382 1006927715 /nfs/dbraw/zinc/92/77/15/1006927715.db2.gz JJXZWNKWPZNKNW-SJORKVTESA-N 2 0 402.564 3.857 20 5 HHBDRP COc1cc(C[NH2+]C2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000533391630 1007703590 /nfs/dbraw/zinc/70/35/90/1007703590.db2.gz XYMBEKXJYXDVCN-UHFFFAOYSA-N 2 0 419.444 3.755 20 5 HHBDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000517557739 1007768855 /nfs/dbraw/zinc/76/88/55/1007768855.db2.gz TUOGPDSBRADVJY-WZONZLPQSA-N 2 0 422.529 3.864 20 5 HHBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000536854428 1012087176 /nfs/dbraw/zinc/08/71/76/1012087176.db2.gz VBOKAMRJTFMSKT-YVWKXTFCSA-N 2 0 407.580 3.823 20 5 HHBDRP Cc1c(NC(=O)CC[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)cccc1[N+](=O)[O-] ZINC000571687804 1072697283 /nfs/dbraw/zinc/69/72/83/1072697283.db2.gz QYSZMAGLEMFVSV-UHFFFAOYSA-N 2 0 419.485 3.602 20 5 HHBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000303670976 971949143 /nfs/dbraw/zinc/94/91/43/971949143.db2.gz GKCDTQLDEMLCHF-IBGZPJMESA-N 2 0 402.539 3.676 20 5 HHBDRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237075993 970218271 /nfs/dbraw/zinc/21/82/71/970218271.db2.gz KKDHUINZAKGQHZ-GOSISDBHSA-N 2 0 405.502 3.879 20 5 HHBDRP C[C@@H](C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000237406915 970279736 /nfs/dbraw/zinc/27/97/36/970279736.db2.gz MGCMVNJRYCHHNA-INIZCTEOSA-N 2 0 418.925 3.766 20 5 HHBDRP Cc1ccc(Sc2ccc(C[NH2+][C@@H](C)CN3CC[NH+](C)CC3)cc2[N+](=O)[O-])cc1 ZINC000237501640 970302780 /nfs/dbraw/zinc/30/27/80/970302780.db2.gz RJUIKVDBPLQOJG-SFHVURJKSA-N 2 0 414.575 3.780 20 5 HHBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000471604955 989809075 /nfs/dbraw/zinc/80/90/75/989809075.db2.gz YYOLUVGBXWMXNB-IAGOWNOFSA-N 2 0 402.564 4.000 20 5 HHBDRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000480536951 999821024 /nfs/dbraw/zinc/82/10/24/999821024.db2.gz OSWWPDAUZWRJDF-INIZCTEOSA-N 2 0 402.564 4.000 20 5 HHBDRP CCOc1cc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000492628243 1000135954 /nfs/dbraw/zinc/13/59/54/1000135954.db2.gz GMJASIWSQFIMRK-HDICACEKSA-N 2 0 405.539 3.705 20 5 HHBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506480148 1001431705 /nfs/dbraw/zinc/43/17/05/1001431705.db2.gz KUCPPCQIZFPWEQ-MOPGFXCFSA-N 2 0 402.539 3.818 20 5 HHBDRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cc2)CC1 ZINC000521668568 1010537308 /nfs/dbraw/zinc/53/73/08/1010537308.db2.gz SSXMICGAAGTXNC-LEWJYISDSA-N 2 0 413.522 3.538 20 5 HHBDRP C[N@H+]1CC=C(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000537343665 1012806777 /nfs/dbraw/zinc/80/67/77/1012806777.db2.gz LXKOJMZQYNVHLL-UHFFFAOYSA-N 2 0 403.486 3.799 20 5 HHBDRP CC[NH+](CC)CCCC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000542014631 1012900583 /nfs/dbraw/zinc/90/05/83/1012900583.db2.gz DGPDJKSSOSULDK-NRFANRHFSA-N 2 0 402.539 3.534 20 5 HHBDRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439601009 983466667 /nfs/dbraw/zinc/46/66/67/983466667.db2.gz ZHBFFAIRLFUEDF-QGZVFWFLSA-N 2 0 422.485 3.937 20 5 HHBDRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1(C)C ZINC000441368968 984212991 /nfs/dbraw/zinc/21/29/91/984212991.db2.gz LRCIDSKARXXDPF-UHFFFAOYSA-N 2 0 416.497 3.642 20 5 HHBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443587378 985762838 /nfs/dbraw/zinc/76/28/38/985762838.db2.gz AIJZDQBXVVGPGW-UHFFFAOYSA-N 2 0 402.539 3.820 20 5 HHBDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000531863953 1006484118 /nfs/dbraw/zinc/48/41/18/1006484118.db2.gz YNMYAEGZUDBLSC-UHFFFAOYSA-N 2 0 412.534 3.688 20 5 HHBDRP C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540044123 1008253267 /nfs/dbraw/zinc/25/32/67/1008253267.db2.gz RCEFLRPMFAMSLH-UHFFFAOYSA-N 2 0 411.506 3.557 20 5 HHBDRP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540046227 1008255700 /nfs/dbraw/zinc/25/57/00/1008255700.db2.gz YDYRJJQWUQVKTD-QGZVFWFLSA-N 2 0 411.506 3.555 20 5 HHBDRP CC[N@H+](CCC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1)CC1CC1 ZINC000540049839 1008258941 /nfs/dbraw/zinc/25/89/41/1008258941.db2.gz JGELVLJUKRDBNY-QFIPXVFZSA-N 2 0 414.550 3.534 20 5 HHBDRP CCC[NH+]1CCC(Nc2nc(NC3CC[NH+](CCC)CC3)c([N+](=O)[O-])s2)CC1 ZINC000522727332 1011180456 /nfs/dbraw/zinc/18/04/56/1011180456.db2.gz GDXKYMPPOHLTEI-UHFFFAOYSA-N 2 0 410.588 3.624 20 5 HHBDRP Cc1cc(N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302404185 971233767 /nfs/dbraw/zinc/23/37/67/971233767.db2.gz FLXMZODRURFTOY-QHCPKHFHSA-N 2 0 406.486 3.525 20 5 HHBDRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000237165050 970234367 /nfs/dbraw/zinc/23/43/67/970234367.db2.gz MSPHGDJJYQQWEQ-UHFFFAOYSA-N 2 0 402.564 3.687 20 5 HHBDRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000442872136 985253599 /nfs/dbraw/zinc/25/35/99/985253599.db2.gz JFWGWYILBRPJFZ-INIZCTEOSA-N 2 0 402.564 4.000 20 5 HHBDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000471604956 989809270 /nfs/dbraw/zinc/80/92/70/989809270.db2.gz YYOLUVGBXWMXNB-IRXDYDNUSA-N 2 0 402.564 4.000 20 5 HHBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481188954 994021004 /nfs/dbraw/zinc/02/10/04/994021004.db2.gz LMCLARCKMSEVIV-WIYYLYMNSA-N 2 0 410.518 3.732 20 5 HHBDRP Cc1c(NC(=O)CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000481190781 994023399 /nfs/dbraw/zinc/02/33/99/994023399.db2.gz OYQWWLNINYHVPQ-FXAWDEMLSA-N 2 0 410.518 3.732 20 5 HHBDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)CC1 ZINC000538762681 1007047619 /nfs/dbraw/zinc/04/76/19/1007047619.db2.gz CNCIYUNBSQARPO-HXUWFJFHSA-N 2 0 414.575 3.924 20 5 HHBDRP CN1CC[NH+](CCCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000539442969 1007754196 /nfs/dbraw/zinc/75/41/96/1007754196.db2.gz GIDGCHROSYRNGM-UHFFFAOYSA-N 2 0 406.914 3.625 20 5 HHBDRP CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000543775196 1009343737 /nfs/dbraw/zinc/34/37/37/1009343737.db2.gz BBAYEZBEVXSJTJ-UTKZUKDTSA-N 2 0 413.518 3.801 20 5 HHBDRP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843389 1013405360 /nfs/dbraw/zinc/40/53/60/1013405360.db2.gz QENYXIMYNWTBFX-KRWDZBQOSA-N 2 0 411.506 3.555 20 5 HHBDRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)CC1 ZINC000237072356 970218167 /nfs/dbraw/zinc/21/81/67/970218167.db2.gz VTMYIMNMMDLKKE-UHFFFAOYSA-N 2 0 414.575 3.972 20 5 HHBDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)cn2)CC1 ZINC000237109711 970224067 /nfs/dbraw/zinc/22/40/67/970224067.db2.gz KADQTYODZDWWLZ-UHFFFAOYSA-N 2 0 423.542 3.760 20 5 HHBDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)cn2)CC1 ZINC000433151468 979101122 /nfs/dbraw/zinc/10/11/22/979101122.db2.gz NRCIXAXVBSXXPS-OAQYLSRUSA-N 2 0 409.534 3.644 20 5 HHBDRP CC1(C)C[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433153280 979103378 /nfs/dbraw/zinc/10/33/78/979103378.db2.gz OUCSGIYIHOGCOA-JOCHJYFZSA-N 2 0 409.534 3.514 20 5 HHBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000471604957 989809041 /nfs/dbraw/zinc/80/90/41/989809041.db2.gz YYOLUVGBXWMXNB-SJORKVTESA-N 2 0 402.564 4.000 20 5 HHBDRP O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)s1 ZINC000506851290 1001564961 /nfs/dbraw/zinc/56/49/61/1001564961.db2.gz NBNVIJQSICEDOI-UHFFFAOYSA-N 2 0 401.532 3.868 20 5 HHBDRP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000538724085 1007002364 /nfs/dbraw/zinc/00/23/64/1007002364.db2.gz QWVQADXTUZXXQS-XLIONFOSSA-N 2 0 414.575 3.781 20 5 HHBDRP CC[N@H+](CCC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1)CC1CC1 ZINC000540049601 1008258779 /nfs/dbraw/zinc/25/87/79/1008258779.db2.gz GODVVUDODTWYBC-UHFFFAOYSA-N 2 0 403.523 3.795 20 5 HHBDRP Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000541770481 1012636414 /nfs/dbraw/zinc/63/64/14/1012636414.db2.gz DGAXMDIPFCEKFE-UHFFFAOYSA-N 2 0 413.518 3.683 20 5 HHBDRP Cc1c(NC(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000112648744 969821106 /nfs/dbraw/zinc/82/11/06/969821106.db2.gz NRAMISXSUPIWMK-IBGZPJMESA-N 2 0 402.539 3.676 20 5 HHBDRP Cc1ccc(Sc2ccc(C[NH2+]C[C@H](C)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])cc1 ZINC000237407860 970279645 /nfs/dbraw/zinc/27/96/45/970279645.db2.gz OZJFRNVFOIEJKM-SFHVURJKSA-N 2 0 414.575 3.780 20 5 HHBDRP Cc1c(NC(=O)CC[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000460350359 982121941 /nfs/dbraw/zinc/12/19/41/982121941.db2.gz UEUUWLGINMYHSH-ROUUACIJSA-N 2 0 424.545 3.978 20 5 HHBDRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000531703889 1006366392 /nfs/dbraw/zinc/36/63/92/1006366392.db2.gz RSTFREMJIGVOLF-HZPDHXFCSA-N 2 0 416.547 3.561 20 5 HHBDRP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000538724086 1007001766 /nfs/dbraw/zinc/00/17/66/1007001766.db2.gz QWVQADXTUZXXQS-YLJYHZDGSA-N 2 0 414.575 3.781 20 5 HHBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000532938829 1007310262 /nfs/dbraw/zinc/31/02/62/1007310262.db2.gz SXCANWODDYUMOE-IBGZPJMESA-N 2 0 402.539 3.676 20 5 HHBDRP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC000543773491 1009342375 /nfs/dbraw/zinc/34/23/75/1009342375.db2.gz KBMXKONRMHOKDF-DHIUTWEWSA-N 2 0 409.530 3.662 20 5 HHBDRP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000552080656 1012095660 /nfs/dbraw/zinc/09/56/60/1012095660.db2.gz LRETXKXGCGGWKB-DYESRHJHSA-N 2 0 414.575 3.781 20 5 HHBDRP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000590370407 1073771558 /nfs/dbraw/zinc/77/15/58/1073771558.db2.gz QCXLDZPCRRRRNJ-UHFFFAOYSA-N 2 0 423.513 3.870 20 5 HHBDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000537842678 1013404237 /nfs/dbraw/zinc/40/42/37/1013404237.db2.gz BOIIDRGPWWGTAE-UHFFFAOYSA-N 2 0 422.489 3.778 20 5 HHBDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000236977130 970197647 /nfs/dbraw/zinc/19/76/47/970197647.db2.gz YTCRNSZDLDUUDK-QGZVFWFLSA-N 2 0 416.497 3.642 20 5 HHBDRP C[C@@H](C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000237407342 970279465 /nfs/dbraw/zinc/27/94/65/970279465.db2.gz FSVCVHFIQOAOGV-INIZCTEOSA-N 2 0 418.925 3.766 20 5 HHBDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237501590 970303454 /nfs/dbraw/zinc/30/34/54/970303454.db2.gz XUFGBAAZEGFJOP-INIZCTEOSA-N 2 0 418.925 3.766 20 5 HHBDRP C[C@H](C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000237577389 970316227 /nfs/dbraw/zinc/31/62/27/970316227.db2.gz MGCMVNJRYCHHNA-MRXNPFEDSA-N 2 0 418.925 3.766 20 5 HHBDRP O=[N+]([O-])c1cc(C[NH2+]CCCC[NH+]2CCOCC2)ccc1Oc1ccc(F)cc1 ZINC000237880195 970387855 /nfs/dbraw/zinc/38/78/55/970387855.db2.gz KOSUOGFGFIRBHS-UHFFFAOYSA-N 2 0 403.454 3.728 20 5 HHBDRP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)s2)cc1 ZINC000238000484 970414883 /nfs/dbraw/zinc/41/48/83/970414883.db2.gz SVPNOQVPZQDCSK-INIZCTEOSA-N 2 0 401.532 3.914 20 5 HHBDRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000430919486 977887425 /nfs/dbraw/zinc/88/74/25/977887425.db2.gz QRKNREUIUMYTAQ-UHFFFAOYSA-N 2 0 408.974 3.876 20 5 HHBDRP C[NH+]1CCC(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)(N2CCCCC2)CC1 ZINC000433289062 979217919 /nfs/dbraw/zinc/21/79/19/979217919.db2.gz NWRRXVGTJCVUQO-NRFANRHFSA-N 2 0 400.567 3.857 20 5 HHBDRP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439601008 983466632 /nfs/dbraw/zinc/46/66/32/983466632.db2.gz ZHBFFAIRLFUEDF-KRWDZBQOSA-N 2 0 422.485 3.937 20 5 HHBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481180255 994010246 /nfs/dbraw/zinc/01/02/46/994010246.db2.gz KLQZKCRBBIXTFB-NQIIRXRSSA-N 2 0 410.518 3.732 20 5 HHBDRP CCC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000482633563 995628076 /nfs/dbraw/zinc/62/80/76/995628076.db2.gz RAQLFLDZUOOPDA-JTHBVZDNSA-N 2 0 424.545 3.923 20 5 HHBDRP C[NH+](C)C1CCN(c2ccc(N[C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)nc2)CC1 ZINC000539691001 1008009685 /nfs/dbraw/zinc/00/96/85/1008009685.db2.gz UEAVAWXMPUKRAA-OAQYLSRUSA-N 2 0 409.534 3.953 20 5 HHBDRP CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000543775174 1009343012 /nfs/dbraw/zinc/34/30/12/1009343012.db2.gz BBAYEZBEVXSJTJ-DYESRHJHSA-N 2 0 413.518 3.801 20 5 HHBDRP C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000552080657 1012096368 /nfs/dbraw/zinc/09/63/68/1012096368.db2.gz LRETXKXGCGGWKB-LAUBAEHRSA-N 2 0 414.575 3.781 20 5 HHBDRP C[NH+](C)C1CCC([NH2+]CCCNC(=O)c2c3ccccc3nc3ccccc32)CC1 ZINC001168312199 1072491738 /nfs/dbraw/zinc/49/17/38/1072491738.db2.gz KQRPGJTWDUDBJR-UHFFFAOYSA-N 2 0 404.558 3.970 20 5 HHBDRP CN(c1ccccc1)c1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000537630242 1013184306 /nfs/dbraw/zinc/18/43/06/1013184306.db2.gz OSDZCYIDAIKPPD-UHFFFAOYSA-N 2 0 412.534 3.905 20 5 HHBDRP COc1ccc(-c2ccc(C[NH2+]CCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000237425940 970283487 /nfs/dbraw/zinc/28/34/87/970283487.db2.gz DXUQOLZMYYDFFX-CALCHBBNSA-N 2 0 417.506 3.842 20 5 HHBDRP C[C@H]1C[NH+](CCCC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000237610873 970322373 /nfs/dbraw/zinc/32/23/73/970322373.db2.gz RXFXZJVYIPMDQD-HOTGVXAUSA-N 2 0 404.536 3.697 20 5 HHBDRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)cc2)CC1 ZINC000433171078 979115298 /nfs/dbraw/zinc/11/52/98/979115298.db2.gz CDHNPYOTARRKAS-QHCPKHFHSA-N 2 0 408.546 3.854 20 5 HHBDRP CCC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000482633556 995627432 /nfs/dbraw/zinc/62/74/32/995627432.db2.gz RAQLFLDZUOOPDA-FYYLOGMGSA-N 2 0 424.545 3.923 20 5 HHBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000492937971 1000150514 /nfs/dbraw/zinc/15/05/14/1000150514.db2.gz VTLIHGCIOZSJFZ-LJQANCHMSA-N 2 0 416.566 3.668 20 5 HHBDRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000538444068 1006711224 /nfs/dbraw/zinc/71/12/24/1006711224.db2.gz KJNQSLXRJSAGBJ-UHFFFAOYSA-N 2 0 406.280 3.969 20 5 HHBDRP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000538724083 1007001401 /nfs/dbraw/zinc/00/14/01/1007001401.db2.gz QWVQADXTUZXXQS-FXAWDEMLSA-N 2 0 414.575 3.781 20 5 HHBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000533408184 1007717108 /nfs/dbraw/zinc/71/71/08/1007717108.db2.gz RWTQVFHAARZYHV-LJQANCHMSA-N 2 0 402.539 3.820 20 5 HHBDRP Cn1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539416451 1007723957 /nfs/dbraw/zinc/72/39/57/1007723957.db2.gz QOXQJLWRUKWIEP-UHFFFAOYSA-N 2 0 405.502 3.881 20 5 HHBDRP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540046226 1008255912 /nfs/dbraw/zinc/25/59/12/1008255912.db2.gz YDYRJJQWUQVKTD-KRWDZBQOSA-N 2 0 411.506 3.555 20 5 HHBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C1CC1 ZINC000543773495 1009342578 /nfs/dbraw/zinc/34/25/78/1009342578.db2.gz KBMXKONRMHOKDF-GOTSBHOMSA-N 2 0 409.530 3.662 20 5 HHBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000536854411 1012087504 /nfs/dbraw/zinc/08/75/04/1012087504.db2.gz VBOKAMRJTFMSKT-IMFGXOCKSA-N 2 0 407.580 3.823 20 5 HHBDRP CC(C)[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)N1CC[NH+](C)CC1 ZINC000236691058 970156858 /nfs/dbraw/zinc/15/68/58/970156858.db2.gz VRRIBWIXRIWHIZ-FQEVSTJZSA-N 2 0 402.564 3.685 20 5 HHBDRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000237164714 970233509 /nfs/dbraw/zinc/23/35/09/970233509.db2.gz FVHBLNMRXQXMLZ-UHFFFAOYSA-N 2 0 402.564 3.687 20 5 HHBDRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000237207625 970241403 /nfs/dbraw/zinc/24/14/03/970241403.db2.gz OZLZGUHZPZWQTE-UHFFFAOYSA-N 2 0 418.925 3.768 20 5 HHBDRP C[C@@H](CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000237567689 970315260 /nfs/dbraw/zinc/31/52/60/970315260.db2.gz QMLRYXIEENOFKK-SFHVURJKSA-N 2 0 407.518 3.996 20 5 HHBDRP Cc1ccc(Sc2ccc(C[NH2+][C@H](C)CN3CC[NH+](C)CC3)cc2[N+](=O)[O-])cc1 ZINC000237664559 970333542 /nfs/dbraw/zinc/33/35/42/970333542.db2.gz RJUIKVDBPLQOJG-GOSISDBHSA-N 2 0 414.575 3.780 20 5 HHBDRP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433171169 979115427 /nfs/dbraw/zinc/11/54/27/979115427.db2.gz ABLCCNZYGPDSFO-LJQANCHMSA-N 2 0 422.529 3.910 20 5 HHBDRP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000439596283 983465212 /nfs/dbraw/zinc/46/52/12/983465212.db2.gz NVGYRVBETGHVIR-KRWDZBQOSA-N 2 0 422.485 3.937 20 5 HHBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443599619 985776176 /nfs/dbraw/zinc/77/61/76/985776176.db2.gz HDQDRXBPOTUTLF-UHFFFAOYSA-N 2 0 418.538 3.520 20 5 HHBDRP COc1ccc(OCC[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000469760440 987414333 /nfs/dbraw/zinc/41/43/33/987414333.db2.gz KIECTYHVGNUIGW-ROUUACIJSA-N 2 0 413.518 3.728 20 5 HHBDRP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000471239803 989385751 /nfs/dbraw/zinc/38/57/51/989385751.db2.gz ZQGZINUGQZIAKE-LJQANCHMSA-N 2 0 424.545 3.616 20 5 HHBDRP O=[N+]([O-])c1ccc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000478380782 998927656 /nfs/dbraw/zinc/92/76/56/998927656.db2.gz DBFAPMSUVZGQDJ-UHFFFAOYSA-N 2 0 401.482 3.895 20 5 HHBDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000489651062 999810233 /nfs/dbraw/zinc/81/02/33/999810233.db2.gz SMUKURPEWOLJKS-UHFFFAOYSA-N 2 0 410.518 3.767 20 5 HHBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000492937970 1000150430 /nfs/dbraw/zinc/15/04/30/1000150430.db2.gz VTLIHGCIOZSJFZ-IBGZPJMESA-N 2 0 416.566 3.668 20 5 HHBDRP CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1[N+](=O)[O-] ZINC000504900000 1000435983 /nfs/dbraw/zinc/43/59/83/1000435983.db2.gz PKINGZJLWYRUEL-QGZVFWFLSA-N 2 0 413.518 3.801 20 5 HHBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495433043 1001010538 /nfs/dbraw/zinc/01/05/38/1001010538.db2.gz MTUOQTAIYDHPRA-WSTZPKSXSA-N 2 0 410.518 3.812 20 5 HHBDRP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500119132 1003480505 /nfs/dbraw/zinc/48/05/05/1003480505.db2.gz VITAERLEXOTQIG-IFMALSPDSA-N 2 0 422.529 3.910 20 5 HHBDRP O=C(CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000512284823 1004186984 /nfs/dbraw/zinc/18/69/84/1004186984.db2.gz DRJQJIRPYNYIOQ-HSZRJFAPSA-N 2 0 408.502 3.521 20 5 HHBDRP Cc1c(NC(=O)CC[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cccc1[N+](=O)[O-] ZINC000512292936 1004196201 /nfs/dbraw/zinc/19/62/01/1004196201.db2.gz RBSKEPRJQLSIBO-DEOSSOPVSA-N 2 0 422.529 3.830 20 5 HHBDRP COc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513745534 1005106743 /nfs/dbraw/zinc/10/67/43/1005106743.db2.gz AJDUAWVMWKGISF-UHFFFAOYSA-N 2 0 413.518 3.956 20 5 HHBDRP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)s1 ZINC000531759056 1006402330 /nfs/dbraw/zinc/40/23/30/1006402330.db2.gz DPWNTXWHOUMVBD-WOJBJXKFSA-N 2 0 401.532 3.791 20 5 HHBDRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000540172722 1008322006 /nfs/dbraw/zinc/32/20/06/1008322006.db2.gz UILQCESFUAGSRW-JOCHJYFZSA-N 2 0 410.518 3.661 20 5 HHBDRP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549868510 1009488819 /nfs/dbraw/zinc/48/88/19/1009488819.db2.gz XITAOFLAPAWBIJ-QFIPXVFZSA-N 2 0 409.530 3.922 20 5 HHBDRP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)ccn1 ZINC000537508271 1013020912 /nfs/dbraw/zinc/02/09/12/1013020912.db2.gz FJKLFWAFILRKDE-UHFFFAOYSA-N 2 0 412.515 3.949 20 5 HHBDRP CC(C)c1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1[N+](=O)[O-] ZINC000236721531 970163177 /nfs/dbraw/zinc/16/31/77/970163177.db2.gz PZSIKJGOONTXAB-OAQYLSRUSA-N 2 0 424.545 3.705 20 5 HHBDRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000236944870 970192107 /nfs/dbraw/zinc/19/21/07/970192107.db2.gz YPONHVYGUCYJHE-UHFFFAOYSA-N 2 0 406.914 3.625 20 5 HHBDRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000460367835 982144629 /nfs/dbraw/zinc/14/46/29/982144629.db2.gz WVJNFBNYGBVCCG-ROUUACIJSA-N 2 0 410.518 3.670 20 5 HHBDRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000460367834 982144695 /nfs/dbraw/zinc/14/46/95/982144695.db2.gz WVJNFBNYGBVCCG-QZTJIDSGSA-N 2 0 410.518 3.670 20 5 HHBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000468628105 986345315 /nfs/dbraw/zinc/34/53/15/986345315.db2.gz DCVSEGFRXZRRBW-CYVLTUHYSA-N 2 0 422.529 3.614 20 5 HHBDRP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000471244597 989391073 /nfs/dbraw/zinc/39/10/73/989391073.db2.gz QTDNMGXGICUHEM-LJQANCHMSA-N 2 0 424.545 3.616 20 5 HHBDRP C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000482263114 995241253 /nfs/dbraw/zinc/24/12/53/995241253.db2.gz LFTLOTGJTBGWHZ-SFHVURJKSA-N 2 0 413.518 3.935 20 5 HHBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000480624606 999844132 /nfs/dbraw/zinc/84/41/32/999844132.db2.gz KWGYDYFXCDXOEQ-DLBZAZTESA-N 2 0 402.564 4.000 20 5 HHBDRP O=C(CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500119134 1003480722 /nfs/dbraw/zinc/48/07/22/1003480722.db2.gz VITAERLEXOTQIG-RBBKRZOGSA-N 2 0 422.529 3.910 20 5 HHBDRP CC(C)c1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000511657113 1005264453 /nfs/dbraw/zinc/26/44/53/1005264453.db2.gz PWAUVABXSMKWTF-UHFFFAOYSA-N 2 0 418.582 3.634 20 5 HHBDRP CC(C)c1ccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000514972177 1006229192 /nfs/dbraw/zinc/22/91/92/1006229192.db2.gz IDVUYQQPXFIACZ-UHFFFAOYSA-N 2 0 416.566 3.532 20 5 HHBDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000515519789 1006511173 /nfs/dbraw/zinc/51/11/73/1006511173.db2.gz YPJKVKOHKWADKM-ROUUACIJSA-N 2 0 410.518 3.944 20 5 HHBDRP CN1CCN([C@@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c2cccs2)CC1 ZINC000532441746 1006883807 /nfs/dbraw/zinc/88/38/07/1006883807.db2.gz IFXBTTSGZJOVAX-FPOVZHCZSA-N 2 0 414.575 3.556 20 5 HHBDRP C[C@H](C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)CN1CC[NH+](C)CC1 ZINC000532487380 1006927659 /nfs/dbraw/zinc/92/76/59/1006927659.db2.gz JJXZWNKWPZNKNW-IAGOWNOFSA-N 2 0 402.564 3.857 20 5 HHBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000536854425 1012086907 /nfs/dbraw/zinc/08/69/07/1012086907.db2.gz VBOKAMRJTFMSKT-POAQFYNOSA-N 2 0 407.580 3.823 20 5 HHBDRP CCc1ccc([C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541545432 1012331562 /nfs/dbraw/zinc/33/15/62/1012331562.db2.gz MWUKCALANACPHD-QHCPKHFHSA-N 2 0 414.550 3.703 20 5 HHBDRP Cc1cc(NC2CCN(CC(=O)Nc3ccccc3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302211954 971208643 /nfs/dbraw/zinc/20/86/43/971208643.db2.gz YWCGHGKERWXWLX-UHFFFAOYSA-N 2 0 419.485 3.966 20 5 HHBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052713758 964960114 /nfs/dbraw/zinc/96/01/14/964960114.db2.gz ALSDHTVHJVJMCS-UHFFFAOYSA-N 2 0 418.538 3.520 20 5 HHBDRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237075135 970218143 /nfs/dbraw/zinc/21/81/43/970218143.db2.gz KKDHUINZAKGQHZ-SFHVURJKSA-N 2 0 405.502 3.879 20 5 HHBDRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C)O1 ZINC000237405129 970278857 /nfs/dbraw/zinc/27/88/57/970278857.db2.gz RXFXZJVYIPMDQD-HZPDHXFCSA-N 2 0 404.536 3.697 20 5 HHBDRP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433171168 979115342 /nfs/dbraw/zinc/11/53/42/979115342.db2.gz ABLCCNZYGPDSFO-IBGZPJMESA-N 2 0 422.529 3.910 20 5 HHBDRP COc1ccc(NC(=O)CC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000443596762 985772868 /nfs/dbraw/zinc/77/28/68/985772868.db2.gz BJASTIZTNKVOFM-UHFFFAOYSA-N 2 0 418.538 3.520 20 5 HHBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843130 989090792 /nfs/dbraw/zinc/09/07/92/989090792.db2.gz QKCSZKJDTVEIKY-FQEVSTJZSA-N 2 0 410.518 3.686 20 5 HHBDRP CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000504905743 1000439568 /nfs/dbraw/zinc/43/95/68/1000439568.db2.gz NGHVLFJGXSPOSI-KRWDZBQOSA-N 2 0 413.518 3.801 20 5 HHBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495433040 1001010686 /nfs/dbraw/zinc/01/06/86/1001010686.db2.gz MTUOQTAIYDHPRA-GGPKGHCWSA-N 2 0 410.518 3.812 20 5 HHBDRP O=C(CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)Nc1ccccc1[N+](=O)[O-] ZINC000500072424 1003423760 /nfs/dbraw/zinc/42/37/60/1003423760.db2.gz CHNMADDTSJLSRO-XMMPIXPASA-N 2 0 422.529 3.912 20 5 HHBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512277029 1004178152 /nfs/dbraw/zinc/17/81/52/1004178152.db2.gz MPBWQBBOBWRGTD-XMMPIXPASA-N 2 0 422.529 3.830 20 5 HHBDRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000531703982 1006366889 /nfs/dbraw/zinc/36/68/89/1006366889.db2.gz RSTFREMJIGVOLF-JKSUJKDBSA-N 2 0 416.547 3.561 20 5 HHBDRP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCC[C@H]4O)CC3)s2)cc1 ZINC000532269981 1006760867 /nfs/dbraw/zinc/76/08/67/1006760867.db2.gz KATPBEUOJBWIDS-VQTJNVASSA-N 2 0 401.532 3.791 20 5 HHBDRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cc2)CC1 ZINC000521668574 1010538126 /nfs/dbraw/zinc/53/81/26/1010538126.db2.gz SSXMICGAAGTXNC-SFTDATJTSA-N 2 0 413.522 3.538 20 5 HHBDRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]CCC(=O)Nc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000548761150 1010724581 /nfs/dbraw/zinc/72/45/81/1010724581.db2.gz ISMKFCZIOSYDKP-GOSISDBHSA-N 2 0 410.518 3.945 20 5 HHBDRP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000536855670 1012088033 /nfs/dbraw/zinc/08/80/33/1012088033.db2.gz BJSWFQJOXNTBTR-GOSISDBHSA-N 2 0 410.518 3.580 20 5 HHBDRP C[NH+](C)[C@@H]1CCC[C@H](Nc2nc(N[C@H]3CCC[C@@H]([NH+](C)C)C3)c([N+](=O)[O-])s2)C1 ZINC000301584918 970990427 /nfs/dbraw/zinc/99/04/27/970990427.db2.gz ONWWUBUKNPYARL-CAOSSQGBSA-N 2 0 410.588 3.621 20 5 HHBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052713764 964959942 /nfs/dbraw/zinc/95/99/42/964959942.db2.gz BRNMUFZFPBQKGN-UHFFFAOYSA-N 2 0 402.539 3.820 20 5 HHBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052713765 964960299 /nfs/dbraw/zinc/96/02/99/964960299.db2.gz YPLDBFQHIFSJII-UHFFFAOYSA-N 2 0 402.539 3.820 20 5 HHBDRP Cc1c(NC(=O)CC[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000045807132 967557702 /nfs/dbraw/zinc/55/77/02/967557702.db2.gz YXKSUSXZWXOZGJ-UHFFFAOYSA-N 2 0 402.539 3.820 20 5 HHBDRP COc1ccc(-c2ccc(C[NH2+]CCCC[NH+]3C[C@@H](C)O[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000237425880 970282990 /nfs/dbraw/zinc/28/29/90/970282990.db2.gz DXUQOLZMYYDFFX-IAGOWNOFSA-N 2 0 417.506 3.842 20 5 HHBDRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000237610841 970322390 /nfs/dbraw/zinc/32/23/90/970322390.db2.gz RXFXZJVYIPMDQD-IYBDPMFKSA-N 2 0 404.536 3.697 20 5 HHBDRP Cn1cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237769635 970361768 /nfs/dbraw/zinc/36/17/68/970361768.db2.gz UHGONBBFCNFETC-HXUWFJFHSA-N 2 0 419.529 3.650 20 5 HHBDRP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439590103 983463312 /nfs/dbraw/zinc/46/33/12/983463312.db2.gz AASOBIUVPGIORP-KRWDZBQOSA-N 2 0 422.485 3.937 20 5 HHBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443600989 985777804 /nfs/dbraw/zinc/77/78/04/985777804.db2.gz GTEFVSBUPBVCCF-UHFFFAOYSA-N 2 0 418.538 3.520 20 5 HHBDRP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)o2)c1 ZINC000471008094 989077319 /nfs/dbraw/zinc/07/73/19/989077319.db2.gz SKXHJZWWCMUOKQ-OYRHEFFESA-N 2 0 418.497 3.856 20 5 HHBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000472135663 993188836 /nfs/dbraw/zinc/18/88/36/993188836.db2.gz BSJQMFPYXFPMBL-OAHLLOKOSA-N 2 0 406.914 3.624 20 5 HHBDRP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000482633467 995627480 /nfs/dbraw/zinc/62/74/80/995627480.db2.gz QQVMCJGWVBETBG-IFMALSPDSA-N 2 0 410.518 3.533 20 5 HHBDRP CCOc1cc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000492628248 1000136024 /nfs/dbraw/zinc/13/60/24/1000136024.db2.gz GMJASIWSQFIMRK-ROUUACIJSA-N 2 0 405.539 3.705 20 5 HHBDRP CCOc1cc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000492661005 1000137549 /nfs/dbraw/zinc/13/75/49/1000137549.db2.gz ZLTYTZRZSYOPOA-UHFFFAOYSA-N 2 0 418.582 3.622 20 5 HHBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495433042 1001010869 /nfs/dbraw/zinc/01/08/69/1001010869.db2.gz MTUOQTAIYDHPRA-QWFCFKBJSA-N 2 0 410.518 3.812 20 5 HHBDRP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000538724084 1007001587 /nfs/dbraw/zinc/00/15/87/1007001587.db2.gz QWVQADXTUZXXQS-PXNSSMCTSA-N 2 0 414.575 3.781 20 5 HHBDRP Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cccc1[N+](=O)[O-] ZINC000533408665 1007716946 /nfs/dbraw/zinc/71/69/46/1007716946.db2.gz FWEZFZKSDVFGSE-IBGZPJMESA-N 2 0 402.539 3.820 20 5 HHBDRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000517557738 1007769528 /nfs/dbraw/zinc/76/95/28/1007769528.db2.gz TUOGPDSBRADVJY-MBSDFSHPSA-N 2 0 422.529 3.864 20 5 HHBDRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000521838916 1010651391 /nfs/dbraw/zinc/65/13/91/1010651391.db2.gz LUQNJVLMMXKWIY-MBSDFSHPSA-N 2 0 422.529 3.722 20 5 HHBDRP O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC3(C1)CC[NH+](Cc1ccccc1)CC3)OCCO2 ZINC000590370430 1073771444 /nfs/dbraw/zinc/77/14/44/1073771444.db2.gz RWIXCBIBDIIMHL-UHFFFAOYSA-N 2 0 423.513 3.854 20 5 HHBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000573965313 1074744881 /nfs/dbraw/zinc/74/48/81/1074744881.db2.gz NXWPYKUVZWAMBC-RTWAWAEBSA-N 2 0 422.529 3.686 20 5 HHBDRP CC(C)c1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1[N+](=O)[O-] ZINC000236721567 970163225 /nfs/dbraw/zinc/16/32/25/970163225.db2.gz PZSIKJGOONTXAB-NRFANRHFSA-N 2 0 424.545 3.705 20 5 HHBDRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC2)CC1 ZINC000237072062 970217984 /nfs/dbraw/zinc/21/79/84/970217984.db2.gz KUBAWZMHRDNYCI-UHFFFAOYSA-N 2 0 414.575 3.972 20 5 HHBDRP CC1CC[NH+](Cc2ccc(C[NH2+]CCC(=O)Nc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000554527207 1013971850 /nfs/dbraw/zinc/97/18/50/1013971850.db2.gz HFXOXNWDFLPWEO-UHFFFAOYSA-N 2 0 410.518 3.945 20 5 HHBDRP C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000467874357 993103244 /nfs/dbraw/zinc/10/32/44/993103244.db2.gz LKBJBLXBVBPCFR-SFHVURJKSA-N 2 0 413.518 3.935 20 5 HHBDRP COc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000506877233 1001576594 /nfs/dbraw/zinc/57/65/94/1001576594.db2.gz UTANAXWZYJJHDC-UHFFFAOYSA-N 2 0 413.518 3.956 20 5 HHBDRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)CC1 ZINC000513502701 1004993164 /nfs/dbraw/zinc/99/31/64/1004993164.db2.gz DFXDMEWPHDYBFN-KRWDZBQOSA-N 2 0 400.548 3.535 20 5 HHBDRP COc1ccc(-c2ccc(CNc3c[nH+]ccc3N3CC[NH+](C)CC3)o2)c([N+](=O)[O-])c1 ZINC000533125196 1007467079 /nfs/dbraw/zinc/46/70/79/1007467079.db2.gz RDOQPQMDBVKTOT-UHFFFAOYSA-N 2 0 423.473 3.622 20 5 HHBDRP Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cccc1[N+](=O)[O-] ZINC000533408666 1007717206 /nfs/dbraw/zinc/71/72/06/1007717206.db2.gz FWEZFZKSDVFGSE-LJQANCHMSA-N 2 0 402.539 3.820 20 5 HHBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000533408182 1007717506 /nfs/dbraw/zinc/71/75/06/1007717506.db2.gz RWTQVFHAARZYHV-IBGZPJMESA-N 2 0 402.539 3.820 20 5 HHBDRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cc2)CC1 ZINC000521668570 1010537651 /nfs/dbraw/zinc/53/76/51/1010537651.db2.gz SSXMICGAAGTXNC-NHCUHLMSSA-N 2 0 413.522 3.538 20 5 HHBDRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cc2)CC1 ZINC000521668572 1010537877 /nfs/dbraw/zinc/53/78/77/1010537877.db2.gz SSXMICGAAGTXNC-RTWAWAEBSA-N 2 0 413.522 3.538 20 5 HHBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000573965312 1074744693 /nfs/dbraw/zinc/74/46/93/1074744693.db2.gz NXWPYKUVZWAMBC-NHCUHLMSSA-N 2 0 422.529 3.686 20 5 HHBDRP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)ccn2)CC1 ZINC000237106011 970223093 /nfs/dbraw/zinc/22/30/93/970223093.db2.gz NOYSSKVTYSTUNV-UHFFFAOYSA-N 2 0 423.542 3.760 20 5 HHBDRP COc1ccc([C@H](CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)[NH+](C)C)cc1OC ZINC000443450264 985616668 /nfs/dbraw/zinc/61/66/68/985616668.db2.gz VHJIVGHXHJUKFX-FQEVSTJZSA-N 2 0 410.474 3.605 20 5 HHBDRP COc1ccc(OCC[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000469760438 987413987 /nfs/dbraw/zinc/41/39/87/987413987.db2.gz KIECTYHVGNUIGW-CYGODWOOSA-N 2 0 413.518 3.728 20 5 HHBDRP COc1cc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])cc1F ZINC000464479575 988651579 /nfs/dbraw/zinc/65/15/79/988651579.db2.gz IZIUCGXTVIUKMZ-UHFFFAOYSA-N 2 0 402.470 3.876 20 5 HHBDRP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000471244596 989391304 /nfs/dbraw/zinc/39/13/04/989391304.db2.gz QTDNMGXGICUHEM-IBGZPJMESA-N 2 0 424.545 3.616 20 5 HHBDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000484495837 996820523 /nfs/dbraw/zinc/82/05/23/996820523.db2.gz RCNQZVOVKNOXFV-MRXNPFEDSA-N 2 0 402.564 4.000 20 5 HHBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495368871 1000987060 /nfs/dbraw/zinc/98/70/60/1000987060.db2.gz LMKINPASAIMPBF-GGPKGHCWSA-N 2 0 410.518 3.812 20 5 HHBDRP O=C1[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000497318819 1001290000 /nfs/dbraw/zinc/29/00/00/1001290000.db2.gz CFTJDNOSYFCPDD-QHCPKHFHSA-N 2 0 422.529 3.866 20 5 HHBDRP O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)s2)cc1 ZINC000506911155 1001590528 /nfs/dbraw/zinc/59/05/28/1001590528.db2.gz JQKJSMAEKYMKPP-UHFFFAOYSA-N 2 0 401.532 3.868 20 5 HHBDRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000531703887 1006366744 /nfs/dbraw/zinc/36/67/44/1006366744.db2.gz RSTFREMJIGVOLF-HOTGVXAUSA-N 2 0 416.547 3.561 20 5 HHBDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)CC1 ZINC000538721606 1006996252 /nfs/dbraw/zinc/99/62/52/1006996252.db2.gz UGAMASBXIARCQI-GOSISDBHSA-N 2 0 414.575 3.924 20 5 HHBDRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000517557736 1007769061 /nfs/dbraw/zinc/76/90/61/1007769061.db2.gz TUOGPDSBRADVJY-FDDCHVKYSA-N 2 0 422.529 3.864 20 5 HHBDRP CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000539850423 1008139127 /nfs/dbraw/zinc/13/91/27/1008139127.db2.gz NCUPTSZZYVRTCB-FQEVSTJZSA-N 2 0 413.518 3.956 20 5 HHBDRP Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000544591446 1010217118 /nfs/dbraw/zinc/21/71/18/1010217118.db2.gz BOYMIKTVEPTXRZ-UHFFFAOYSA-N 2 0 422.451 3.964 20 5 HHBDRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000729684410 1071807607 /nfs/dbraw/zinc/80/76/07/1071807607.db2.gz OPFPCBNNCFANLZ-UHFFFAOYSA-N 2 0 406.914 3.625 20 5 HHBDRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)CC1 ZINC000542689687 1013608942 /nfs/dbraw/zinc/60/89/42/1013608942.db2.gz PSHSCIFDTKJXMA-UHFFFAOYSA-N 2 0 412.534 3.704 20 5 HHBDRP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237412627 970280216 /nfs/dbraw/zinc/28/02/16/970280216.db2.gz LZGRFKXQLYPLDQ-IBGZPJMESA-N 2 0 411.502 3.756 20 5 HHBDRP COc1ccc(-c2ccc(C[NH2+]CCCC[NH+]3C[C@H](C)O[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000237425910 970283126 /nfs/dbraw/zinc/28/31/26/970283126.db2.gz DXUQOLZMYYDFFX-IRXDYDNUSA-N 2 0 417.506 3.842 20 5 HHBDRP O=C(CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1ccccc1[N+](=O)[O-] ZINC000433124482 979085601 /nfs/dbraw/zinc/08/56/01/979085601.db2.gz CTKZFIRQYGXPJL-UHFFFAOYSA-N 2 0 422.529 3.912 20 5 HHBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000468628107 986345035 /nfs/dbraw/zinc/34/50/35/986345035.db2.gz DCVSEGFRXZRRBW-XDJHFCHBSA-N 2 0 422.529 3.614 20 5 HHBDRP COc1ccc(OCC[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000469760439 987414258 /nfs/dbraw/zinc/41/42/58/987414258.db2.gz KIECTYHVGNUIGW-QZTJIDSGSA-N 2 0 413.518 3.728 20 5 HHBDRP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000475219866 996005039 /nfs/dbraw/zinc/00/50/39/996005039.db2.gz LVPZVKOIHUNALW-IBGZPJMESA-N 2 0 405.502 3.607 20 5 HHBDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000478053023 998737938 /nfs/dbraw/zinc/73/79/38/998737938.db2.gz JRWXTXBTSXZVCQ-GOSISDBHSA-N 2 0 402.539 3.900 20 5 HHBDRP CCOc1ccc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000504900087 1000435969 /nfs/dbraw/zinc/43/59/69/1000435969.db2.gz QVSOKXIVIAJEAC-SFHVURJKSA-N 2 0 404.555 3.594 20 5 HHBDRP COc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000506865210 1001571625 /nfs/dbraw/zinc/57/16/25/1001571625.db2.gz DROZCGCQAUHMKT-UHFFFAOYSA-N 2 0 413.518 3.956 20 5 HHBDRP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501044804 1004146414 /nfs/dbraw/zinc/14/64/14/1004146414.db2.gz KPJNEEPVLFJETJ-MRXNPFEDSA-N 2 0 422.489 3.949 20 5 HHBDRP COc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513741318 1005104956 /nfs/dbraw/zinc/10/49/56/1005104956.db2.gz KKBHINSLAWZOGQ-UHFFFAOYSA-N 2 0 413.518 3.956 20 5 HHBDRP COc1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000538715271 1006988381 /nfs/dbraw/zinc/98/83/81/1006988381.db2.gz BZTKWNQSWFDYHL-UHFFFAOYSA-N 2 0 415.481 3.800 20 5 HHBDRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)CC1 ZINC000543618199 1009223814 /nfs/dbraw/zinc/22/38/14/1009223814.db2.gz ALWQHDCZBIPAQO-UHFFFAOYSA-N 2 0 412.534 3.704 20 5 HHBDRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]CCC(=O)Nc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000548761151 1010724849 /nfs/dbraw/zinc/72/48/49/1010724849.db2.gz ISMKFCZIOSYDKP-SFHVURJKSA-N 2 0 410.518 3.945 20 5 HHBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000536854421 1012086792 /nfs/dbraw/zinc/08/67/92/1012086792.db2.gz VBOKAMRJTFMSKT-KPFFTGBYSA-N 2 0 407.580 3.823 20 5 HHBDRP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000552080658 1012096092 /nfs/dbraw/zinc/09/60/92/1012096092.db2.gz LRETXKXGCGGWKB-UTKZUKDTSA-N 2 0 414.575 3.781 20 5 HHBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000236949172 970193068 /nfs/dbraw/zinc/19/30/68/970193068.db2.gz UBRGDCZTCAVCAE-KRWDZBQOSA-N 2 0 402.564 3.687 20 5 HHBDRP Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469766667 987419256 /nfs/dbraw/zinc/41/92/56/987419256.db2.gz WWSDCRCWUGLKGH-OEWRPIJISA-N 2 0 410.518 3.588 20 5 HHBDRP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C1CC1 ZINC000482546850 995554834 /nfs/dbraw/zinc/55/48/34/995554834.db2.gz HBFXFSNXTSFVKD-HSZRJFAPSA-N 2 0 409.530 3.662 20 5 HHBDRP COc1ccc(CN(C)C[C@@H]2CCC[N@H+](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508554705 1003027126 /nfs/dbraw/zinc/02/71/26/1003027126.db2.gz WEUVTUWMFDUBCO-HXUWFJFHSA-N 2 0 413.518 3.956 20 5 HHBDRP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501044803 1004146444 /nfs/dbraw/zinc/14/64/44/1004146444.db2.gz KPJNEEPVLFJETJ-INIZCTEOSA-N 2 0 422.489 3.949 20 5 HHBDRP CN(c1ccccc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC[NH+](C)CC1 ZINC000516111519 1006888927 /nfs/dbraw/zinc/88/89/27/1006888927.db2.gz SWLUTCUGVMEABF-UHFFFAOYSA-N 2 0 421.545 3.939 20 5 HHBDRP CC[N@H+](C)C[C@H]1CCN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000539850427 1008139150 /nfs/dbraw/zinc/13/91/50/1008139150.db2.gz NCUPTSZZYVRTCB-HXUWFJFHSA-N 2 0 413.518 3.956 20 5 HHBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC000543773498 1009342717 /nfs/dbraw/zinc/34/27/17/1009342717.db2.gz KBMXKONRMHOKDF-PKTZIBPZSA-N 2 0 409.530 3.662 20 5 HHBDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000236977453 970198065 /nfs/dbraw/zinc/19/80/65/970198065.db2.gz HAVSLWYPPLTKHG-OAHLLOKOSA-N 2 0 406.914 3.624 20 5 HHBDRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439590108 983463452 /nfs/dbraw/zinc/46/34/52/983463452.db2.gz AASOBIUVPGIORP-QGZVFWFLSA-N 2 0 422.485 3.937 20 5 HHBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843957 989091787 /nfs/dbraw/zinc/09/17/87/989091787.db2.gz BJYBITUWUJIZKH-HXUWFJFHSA-N 2 0 410.518 3.686 20 5 HHBDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000478053024 998737934 /nfs/dbraw/zinc/73/79/34/998737934.db2.gz JRWXTXBTSXZVCQ-SFHVURJKSA-N 2 0 402.539 3.900 20 5 HHBDRP O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000498647650 1002047633 /nfs/dbraw/zinc/04/76/33/1002047633.db2.gz VCWOBKYVTBLJMH-UHFFFAOYSA-N 2 0 409.412 3.633 20 5 HHBDRP O=C(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500119133 1003480765 /nfs/dbraw/zinc/48/07/65/1003480765.db2.gz VITAERLEXOTQIG-IRLDBZIGSA-N 2 0 422.529 3.910 20 5 HHBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512281002 1004183168 /nfs/dbraw/zinc/18/31/68/1004183168.db2.gz XKCHNXNIMSJEPX-XMMPIXPASA-N 2 0 422.529 3.830 20 5 HHBDRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000531703885 1006366823 /nfs/dbraw/zinc/36/68/23/1006366823.db2.gz RSTFREMJIGVOLF-CVEARBPZSA-N 2 0 416.547 3.561 20 5 HHBDRP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)s1 ZINC000531759055 1006402203 /nfs/dbraw/zinc/40/22/03/1006402203.db2.gz DPWNTXWHOUMVBD-VQTJNVASSA-N 2 0 401.532 3.791 20 5 HHBDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000532374707 1006830669 /nfs/dbraw/zinc/83/06/69/1006830669.db2.gz SBOBNXVULHNXPI-UHFFFAOYSA-N 2 0 417.481 3.851 20 5 HHBDRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000532487379 1006927289 /nfs/dbraw/zinc/92/72/89/1006927289.db2.gz JJXZWNKWPZNKNW-DLBZAZTESA-N 2 0 402.564 3.857 20 5 HHBDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)CC1 ZINC000538762680 1007046814 /nfs/dbraw/zinc/04/68/14/1007046814.db2.gz CNCIYUNBSQARPO-FQEVSTJZSA-N 2 0 414.575 3.924 20 5 HHBDRP C[NH+](C)C1CCN(c2ccc(N[C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)nc2)CC1 ZINC000539691000 1008009510 /nfs/dbraw/zinc/00/95/10/1008009510.db2.gz UEAVAWXMPUKRAA-NRFANRHFSA-N 2 0 409.534 3.953 20 5 HHBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000541915645 1012773816 /nfs/dbraw/zinc/77/38/16/1012773816.db2.gz VCCDLKBCCNGMSM-PMACEKPBSA-N 2 0 415.559 3.822 20 5 HHBDRP Cc1cc(N2CC[NH+](CCCOCC(F)(F)F)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000542087673 1013010516 /nfs/dbraw/zinc/01/05/16/1013010516.db2.gz RMEPGTJRSCEISE-UHFFFAOYSA-N 2 0 412.412 3.542 20 5 HHBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460353877 982127485 /nfs/dbraw/zinc/12/74/85/982127485.db2.gz RINFBBDIRDAIIR-HROJSSOGSA-N 2 0 424.545 3.978 20 5 HHBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481188950 994021221 /nfs/dbraw/zinc/02/12/21/994021221.db2.gz LMCLARCKMSEVIV-NQIIRXRSSA-N 2 0 410.518 3.732 20 5 HHBDRP Cc1c(NC(=O)CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000481190783 994023357 /nfs/dbraw/zinc/02/33/57/994023357.db2.gz OYQWWLNINYHVPQ-PXNSSMCTSA-N 2 0 410.518 3.732 20 5 HHBDRP Cc1c(NC(=O)CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000481190785 994023714 /nfs/dbraw/zinc/02/37/14/994023714.db2.gz OYQWWLNINYHVPQ-XLIONFOSSA-N 2 0 410.518 3.732 20 5 HHBDRP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)s2)cc1 ZINC000532269979 1006760284 /nfs/dbraw/zinc/76/02/84/1006760284.db2.gz KATPBEUOJBWIDS-PMACEKPBSA-N 2 0 401.532 3.791 20 5 HHBDRP CN1CCN([C@@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c2cccs2)CC1 ZINC000532441745 1006883435 /nfs/dbraw/zinc/88/34/35/1006883435.db2.gz IFXBTTSGZJOVAX-CTNGQTDRSA-N 2 0 414.575 3.556 20 5 HHBDRP