smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000537841004 1013402152 /nfs/dbraw/zinc/40/21/52/1013402152.db2.gz IUCYMCHMDWVKCM-UHFFFAOYSA-N 2 1 422.489 3.778 20 5 HHBDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1 ZINC000542881595 1013730638 /nfs/dbraw/zinc/73/06/38/1013730638.db2.gz SBZBAHUCQAOBPD-OAHLLOKOSA-N 2 1 421.457 3.738 20 5 HHBDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236870980 970182934 /nfs/dbraw/zinc/18/29/34/970182934.db2.gz FVEDBLWQRCQKEA-GOSISDBHSA-N 2 1 405.502 3.879 20 5 HHBDMP CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000444682868 986863023 /nfs/dbraw/zinc/86/30/23/986863023.db2.gz VZIACUKTOWWSFK-UHFFFAOYSA-N 2 1 423.521 3.759 20 5 HHBDMP CCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000444682868 986863035 /nfs/dbraw/zinc/86/30/35/986863035.db2.gz VZIACUKTOWWSFK-UHFFFAOYSA-N 2 1 423.521 3.759 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000492913125 1000149428 /nfs/dbraw/zinc/14/94/28/1000149428.db2.gz RCXCHHMSCGTOHH-QRVBRYPASA-N 2 1 405.539 3.554 20 5 HHBDMP Cc1c(NC(=O)CC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000506482368 1001433300 /nfs/dbraw/zinc/43/33/00/1001433300.db2.gz SPQXFGGJRFAQKH-HKUYNNGSSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1c(NC(=O)CC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000506482368 1001433303 /nfs/dbraw/zinc/43/33/03/1001433303.db2.gz SPQXFGGJRFAQKH-HKUYNNGSSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1c(NC(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000506482368 1001433308 /nfs/dbraw/zinc/43/33/08/1001433308.db2.gz SPQXFGGJRFAQKH-HKUYNNGSSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000506482368 1001433310 /nfs/dbraw/zinc/43/33/10/1001433310.db2.gz SPQXFGGJRFAQKH-HKUYNNGSSA-N 2 1 402.539 3.818 20 5 HHBDMP CN(c1ccccc1)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000531759123 1006402535 /nfs/dbraw/zinc/40/25/35/1006402535.db2.gz GPASCISOVBWISD-VWNXMTODSA-N 2 1 424.545 3.830 20 5 HHBDMP C[NH+]1CCN([C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c2cccs2)CC1 ZINC000532441748 1006885888 /nfs/dbraw/zinc/88/58/88/1006885888.db2.gz IFXBTTSGZJOVAX-TZIWHRDSSA-N 2 1 414.575 3.556 20 5 HHBDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C/C=C\c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000538723216 1007000381 /nfs/dbraw/zinc/00/03/81/1007000381.db2.gz PJVFUSHUTRKDHT-ALCCZGGFSA-N 2 1 400.567 3.736 20 5 HHBDMP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000538723216 1007000393 /nfs/dbraw/zinc/00/03/93/1007000393.db2.gz PJVFUSHUTRKDHT-ALCCZGGFSA-N 3 1 400.567 3.736 20 5 HHBDMP C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000538723216 1007000405 /nfs/dbraw/zinc/00/04/05/1007000405.db2.gz PJVFUSHUTRKDHT-ALCCZGGFSA-N 3 1 400.567 3.736 20 5 HHBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000533275434 1007587621 /nfs/dbraw/zinc/58/76/21/1007587621.db2.gz ULUDMDSRJHHAPE-GOSISDBHSA-N 2 1 410.518 3.766 20 5 HHBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000533275434 1007587631 /nfs/dbraw/zinc/58/76/31/1007587631.db2.gz ULUDMDSRJHHAPE-GOSISDBHSA-N 2 1 410.518 3.766 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000533409446 1007718078 /nfs/dbraw/zinc/71/80/78/1007718078.db2.gz XXKSQLDZSMMDLW-LJQANCHMSA-N 2 1 402.539 3.820 20 5 HHBDMP C[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)([NH+]2CCCCC2)CC1 ZINC000301835257 971080336 /nfs/dbraw/zinc/08/03/36/971080336.db2.gz UFMZWKGKKXNQPC-UHFFFAOYSA-N 2 1 400.445 3.976 20 5 HHBDMP Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302055868 971164361 /nfs/dbraw/zinc/16/43/61/971164361.db2.gz ARMTXQZJFHWOCS-PKTZIBPZSA-N 2 1 404.470 3.541 20 5 HHBDMP Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302055868 971164365 /nfs/dbraw/zinc/16/43/65/971164365.db2.gz ARMTXQZJFHWOCS-PKTZIBPZSA-N 2 1 404.470 3.541 20 5 HHBDMP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1)CC1CC1 ZINC000537849713 1013416846 /nfs/dbraw/zinc/41/68/46/1013416846.db2.gz OMNYGSRQLBPVHR-QGZVFWFLSA-N 2 1 402.539 3.756 20 5 HHBDMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1)CC1CC1 ZINC000537849713 1013416855 /nfs/dbraw/zinc/41/68/55/1013416855.db2.gz OMNYGSRQLBPVHR-QGZVFWFLSA-N 2 1 402.539 3.756 20 5 HHBDMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000110798217 969724817 /nfs/dbraw/zinc/72/48/17/969724817.db2.gz FZOKTBVUVKMEEJ-UHFFFAOYSA-N 2 1 421.501 3.989 20 5 HHBDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000110798217 969724821 /nfs/dbraw/zinc/72/48/21/969724821.db2.gz FZOKTBVUVKMEEJ-UHFFFAOYSA-N 2 1 421.501 3.989 20 5 HHBDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1F ZINC000237651094 970330624 /nfs/dbraw/zinc/33/06/24/970330624.db2.gz QBYAQLXSHNOQBI-UHFFFAOYSA-N 2 1 420.448 3.918 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434694349 980344475 /nfs/dbraw/zinc/34/44/75/980344475.db2.gz RQWYJQMIRYOISK-UHFFFAOYSA-N 2 1 411.506 3.644 20 5 HHBDMP CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000470149524 988057523 /nfs/dbraw/zinc/05/75/23/988057523.db2.gz ATPGCGZTZUZZOM-PMACEKPBSA-N 2 1 421.517 3.535 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843956 989092192 /nfs/dbraw/zinc/09/21/92/989092192.db2.gz BJYBITUWUJIZKH-FQEVSTJZSA-N 2 1 410.518 3.686 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843956 989092201 /nfs/dbraw/zinc/09/22/01/989092201.db2.gz BJYBITUWUJIZKH-FQEVSTJZSA-N 2 1 410.518 3.686 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843956 989092209 /nfs/dbraw/zinc/09/22/09/989092209.db2.gz BJYBITUWUJIZKH-FQEVSTJZSA-N 2 1 410.518 3.686 20 5 HHBDMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000467874356 993103487 /nfs/dbraw/zinc/10/34/87/993103487.db2.gz LKBJBLXBVBPCFR-GOSISDBHSA-N 2 1 413.518 3.935 20 5 HHBDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)c2)CCO1 ZINC000481562663 994397609 /nfs/dbraw/zinc/39/76/09/994397609.db2.gz CNEMUYQVYHOCML-WZONZLPQSA-N 2 1 409.530 3.926 20 5 HHBDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)c2)CCO1 ZINC000481562663 994397611 /nfs/dbraw/zinc/39/76/11/994397611.db2.gz CNEMUYQVYHOCML-WZONZLPQSA-N 2 1 409.530 3.926 20 5 HHBDMP COC1CC[NH+](C2(C[NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)CCCC2)CC1 ZINC000482640283 995635039 /nfs/dbraw/zinc/63/50/39/995635039.db2.gz UUKAVYDLNFQRDZ-NRFANRHFSA-N 2 1 401.551 3.929 20 5 HHBDMP CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000504930367 1000454792 /nfs/dbraw/zinc/45/47/92/1000454792.db2.gz PPTDDJDKLHQRIB-SFHVURJKSA-N 2 1 412.534 3.592 20 5 HHBDMP COc1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000513763111 1005114801 /nfs/dbraw/zinc/11/48/01/1005114801.db2.gz VWUWYQAYLBBOEH-UHFFFAOYSA-N 2 1 413.518 3.956 20 5 HHBDMP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000539075581 1007365954 /nfs/dbraw/zinc/36/59/54/1007365954.db2.gz IIZCOBPXRHUUPK-TZIWHRDSSA-N 2 1 401.551 3.931 20 5 HHBDMP CC[N@H+](CCC1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1)CC(C)C ZINC000539099356 1007387510 /nfs/dbraw/zinc/38/75/10/1007387510.db2.gz BGVOJGMJEDHVSO-UHFFFAOYSA-N 2 1 416.566 3.564 20 5 HHBDMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1)CC(C)C ZINC000539099356 1007387523 /nfs/dbraw/zinc/38/75/23/1007387523.db2.gz BGVOJGMJEDHVSO-UHFFFAOYSA-N 2 1 416.566 3.564 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000533409444 1007719287 /nfs/dbraw/zinc/71/92/87/1007719287.db2.gz XXKSQLDZSMMDLW-IBGZPJMESA-N 2 1 402.539 3.820 20 5 HHBDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000536702148 1011872788 /nfs/dbraw/zinc/87/27/88/1011872788.db2.gz DZGJNQDLPNEJJD-UHFFFAOYSA-N 2 1 412.490 3.595 20 5 HHBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000541915647 1012773376 /nfs/dbraw/zinc/77/33/76/1012773376.db2.gz VCCDLKBCCNGMSM-VQTJNVASSA-N 2 1 415.559 3.822 20 5 HHBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(F)c1 ZINC000590192687 1073637589 /nfs/dbraw/zinc/63/75/89/1073637589.db2.gz YUOKLVKUTWVJCX-HXUWFJFHSA-N 2 1 413.493 3.752 20 5 HHBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c(F)c1 ZINC000590192687 1073637596 /nfs/dbraw/zinc/63/75/96/1073637596.db2.gz YUOKLVKUTWVJCX-HXUWFJFHSA-N 2 1 413.493 3.752 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000303546482 971846103 /nfs/dbraw/zinc/84/61/03/971846103.db2.gz GUZACXGXQMWKKM-RBUKOAKNSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000303546482 971846106 /nfs/dbraw/zinc/84/61/06/971846106.db2.gz GUZACXGXQMWKKM-RBUKOAKNSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000303546482 971846112 /nfs/dbraw/zinc/84/61/12/971846112.db2.gz GUZACXGXQMWKKM-RBUKOAKNSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000303546482 971846116 /nfs/dbraw/zinc/84/61/16/971846116.db2.gz GUZACXGXQMWKKM-RBUKOAKNSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000303670979 971949360 /nfs/dbraw/zinc/94/93/60/971949360.db2.gz GKCDTQLDEMLCHF-LJQANCHMSA-N 2 1 402.539 3.676 20 5 HHBDMP O=[N+]([O-])c1cc(C[NH2+]CCCN2CCC(O)CC2)ccc1Oc1ccccc1Cl ZINC000238150779 970450255 /nfs/dbraw/zinc/45/02/55/970450255.db2.gz GKSFSEAOILLRHF-UHFFFAOYSA-N 2 1 419.909 3.977 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433179666 979123032 /nfs/dbraw/zinc/12/30/32/979123032.db2.gz WGQQWFFAVBGAFH-UHFFFAOYSA-N 2 1 422.529 3.830 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433179666 979123039 /nfs/dbraw/zinc/12/30/39/979123039.db2.gz WGQQWFFAVBGAFH-UHFFFAOYSA-N 2 1 422.529 3.830 20 5 HHBDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000460367833 982144754 /nfs/dbraw/zinc/14/47/54/982144754.db2.gz WVJNFBNYGBVCCG-CYGODWOOSA-N 2 1 410.518 3.670 20 5 HHBDMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000439596284 983465300 /nfs/dbraw/zinc/46/53/00/983465300.db2.gz NVGYRVBETGHVIR-QGZVFWFLSA-N 2 1 422.485 3.937 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481180257 994010546 /nfs/dbraw/zinc/01/05/46/994010546.db2.gz KLQZKCRBBIXTFB-WIYYLYMNSA-N 2 1 410.518 3.732 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481188952 994021265 /nfs/dbraw/zinc/02/12/65/994021265.db2.gz LMCLARCKMSEVIV-RXVVDRJESA-N 2 1 410.518 3.732 20 5 HHBDMP C[C@H]1CCCC[N@H+]1CCC1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000478053705 998738629 /nfs/dbraw/zinc/73/86/29/998738629.db2.gz MUSOTOCRXMMJRR-SFHVURJKSA-N 2 1 402.539 3.534 20 5 HHBDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000478053705 998738633 /nfs/dbraw/zinc/73/86/33/998738633.db2.gz MUSOTOCRXMMJRR-SFHVURJKSA-N 2 1 402.539 3.534 20 5 HHBDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000478053705 998738636 /nfs/dbraw/zinc/73/86/36/998738636.db2.gz MUSOTOCRXMMJRR-SFHVURJKSA-N 2 1 402.539 3.534 20 5 HHBDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000494484861 1000517778 /nfs/dbraw/zinc/51/77/78/1000517778.db2.gz KZGSZNPBQBWBME-KSSFIOAISA-N 2 1 403.445 3.840 20 5 HHBDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000494484861 1000517785 /nfs/dbraw/zinc/51/77/85/1000517785.db2.gz KZGSZNPBQBWBME-KSSFIOAISA-N 2 1 403.445 3.840 20 5 HHBDMP C[NH+](C)CCOc1cc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000495028293 1000787707 /nfs/dbraw/zinc/78/77/07/1000787707.db2.gz MJQULLAFHUBLAV-QHCPKHFHSA-N 2 1 406.486 3.809 20 5 HHBDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000500131590 1003491789 /nfs/dbraw/zinc/49/17/89/1003491789.db2.gz WXOLGJSRMGNDAG-SFHVURJKSA-N 2 1 402.539 3.900 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512281001 1004182957 /nfs/dbraw/zinc/18/29/57/1004182957.db2.gz XKCHNXNIMSJEPX-DEOSSOPVSA-N 2 1 422.529 3.830 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512281001 1004182965 /nfs/dbraw/zinc/18/29/65/1004182965.db2.gz XKCHNXNIMSJEPX-DEOSSOPVSA-N 2 1 422.529 3.830 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512281001 1004182969 /nfs/dbraw/zinc/18/29/69/1004182969.db2.gz XKCHNXNIMSJEPX-DEOSSOPVSA-N 2 1 422.529 3.830 20 5 HHBDMP Cc1cccc(NC[C@H]2CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)[nH+]1 ZINC000532577766 1007010714 /nfs/dbraw/zinc/01/07/14/1007010714.db2.gz GMAPMALSUTWCLJ-QGZVFWFLSA-N 2 1 407.474 3.930 20 5 HHBDMP Cc1cccc(NC[C@H]2CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)[nH+]1 ZINC000532577766 1007010727 /nfs/dbraw/zinc/01/07/27/1007010727.db2.gz GMAPMALSUTWCLJ-QGZVFWFLSA-N 2 1 407.474 3.930 20 5 HHBDMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000540475153 1008446247 /nfs/dbraw/zinc/44/62/47/1008446247.db2.gz FSQKSZVQYPIHKC-HXUWFJFHSA-N 2 1 424.545 3.597 20 5 HHBDMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000540475153 1008446250 /nfs/dbraw/zinc/44/62/50/1008446250.db2.gz FSQKSZVQYPIHKC-HXUWFJFHSA-N 2 1 424.545 3.597 20 5 HHBDMP O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cs1 ZINC000549868539 1009489379 /nfs/dbraw/zinc/48/93/79/1009489379.db2.gz YSZUDHYGSASYTG-LJQANCHMSA-N 2 1 401.532 3.675 20 5 HHBDMP O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cs1 ZINC000549868539 1009489383 /nfs/dbraw/zinc/48/93/83/1009489383.db2.gz YSZUDHYGSASYTG-LJQANCHMSA-N 2 1 401.532 3.675 20 5 HHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000541026788 1011661381 /nfs/dbraw/zinc/66/13/81/1011661381.db2.gz GEHBWVHUFFWSOL-OAHLLOKOSA-N 2 1 423.473 3.777 20 5 HHBDMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)CC1 ZINC000536708686 1011881058 /nfs/dbraw/zinc/88/10/58/1011881058.db2.gz NNOBIESMPPCSLM-UHFFFAOYSA-N 2 1 412.534 3.845 20 5 HHBDMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)CC1 ZINC000537659472 1013220367 /nfs/dbraw/zinc/22/03/67/1013220367.db2.gz UXVGCEKUSVUFGW-UHFFFAOYSA-N 2 1 412.534 3.845 20 5 HHBDMP CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c([N+](=O)[O-])c1 ZINC000542881048 1013729654 /nfs/dbraw/zinc/72/96/54/1013729654.db2.gz LARBUHSDEXKXOX-HNNXBMFYSA-N 2 1 423.473 3.777 20 5 HHBDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000430681008 977691802 /nfs/dbraw/zinc/69/18/02/977691802.db2.gz ZVSKMZZMDBFKKB-UHFFFAOYSA-N 2 1 422.957 3.517 20 5 HHBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000471239802 989385626 /nfs/dbraw/zinc/38/56/26/989385626.db2.gz ZQGZINUGQZIAKE-IBGZPJMESA-N 2 1 424.545 3.616 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481188948 994021357 /nfs/dbraw/zinc/02/13/57/994021357.db2.gz LMCLARCKMSEVIV-GHTZIAJQSA-N 2 1 410.518 3.732 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000492913124 1000149372 /nfs/dbraw/zinc/14/93/72/1000149372.db2.gz RCXCHHMSCGTOHH-OTWHNJEPSA-N 2 1 405.539 3.554 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000492913124 1000149374 /nfs/dbraw/zinc/14/93/74/1000149374.db2.gz RCXCHHMSCGTOHH-OTWHNJEPSA-N 2 1 405.539 3.554 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000492912923 1000149394 /nfs/dbraw/zinc/14/93/94/1000149394.db2.gz RCXCHHMSCGTOHH-FHWLQOOXSA-N 2 1 405.539 3.554 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506480162 1001431892 /nfs/dbraw/zinc/43/18/92/1001431892.db2.gz KUCPPCQIZFPWEQ-OALUTQOASA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506480162 1001431896 /nfs/dbraw/zinc/43/18/96/1001431896.db2.gz KUCPPCQIZFPWEQ-OALUTQOASA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506480162 1001431900 /nfs/dbraw/zinc/43/19/00/1001431900.db2.gz KUCPPCQIZFPWEQ-OALUTQOASA-N 2 1 402.539 3.818 20 5 HHBDMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000500095003 1003456415 /nfs/dbraw/zinc/45/64/15/1003456415.db2.gz XEAKOYGVODPONO-QUCCMNQESA-N 2 1 410.518 3.908 20 5 HHBDMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000500095003 1003456422 /nfs/dbraw/zinc/45/64/22/1003456422.db2.gz XEAKOYGVODPONO-QUCCMNQESA-N 2 1 410.518 3.908 20 5 HHBDMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[NH+]1Cc1ccccc1 ZINC000500095003 1003456428 /nfs/dbraw/zinc/45/64/28/1003456428.db2.gz XEAKOYGVODPONO-QUCCMNQESA-N 2 1 410.518 3.908 20 5 HHBDMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[NH+]1Cc1ccccc1 ZINC000500095003 1003456433 /nfs/dbraw/zinc/45/64/33/1003456433.db2.gz XEAKOYGVODPONO-QUCCMNQESA-N 2 1 410.518 3.908 20 5 HHBDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)CC1 ZINC000513457224 1004975196 /nfs/dbraw/zinc/97/51/96/1004975196.db2.gz VQNLGCOOARMSHG-KRWDZBQOSA-N 2 1 418.925 3.720 20 5 HHBDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)CC1 ZINC000513502702 1004993090 /nfs/dbraw/zinc/99/30/90/1004993090.db2.gz DFXDMEWPHDYBFN-QGZVFWFLSA-N 2 1 400.548 3.535 20 5 HHBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000513828934 1005148945 /nfs/dbraw/zinc/14/89/45/1005148945.db2.gz SHSHNBZWMMVVPO-FJIJXJHWSA-N 2 1 409.530 3.533 20 5 HHBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000513828934 1005148947 /nfs/dbraw/zinc/14/89/47/1005148947.db2.gz SHSHNBZWMMVVPO-FJIJXJHWSA-N 2 1 409.530 3.533 20 5 HHBDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000521838915 1010651262 /nfs/dbraw/zinc/65/12/62/1010651262.db2.gz LUQNJVLMMXKWIY-JPYJTQIMSA-N 2 1 422.529 3.722 20 5 HHBDMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000552080659 1012097722 /nfs/dbraw/zinc/09/77/22/1012097722.db2.gz LRETXKXGCGGWKB-UWJYYQICSA-N 2 1 414.575 3.781 20 5 HHBDMP O=C(CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000433161504 979107669 /nfs/dbraw/zinc/10/76/69/979107669.db2.gz KDIPFMCCBPCBRW-UHFFFAOYSA-N 2 1 422.529 3.912 20 5 HHBDMP Cc1c(NC(=O)CC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000506482370 1001433516 /nfs/dbraw/zinc/43/35/16/1001433516.db2.gz SPQXFGGJRFAQKH-MJGOQNOKSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1c(NC(=O)CC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000506482370 1001433520 /nfs/dbraw/zinc/43/35/20/1001433520.db2.gz SPQXFGGJRFAQKH-MJGOQNOKSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1c(NC(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000506482370 1001433523 /nfs/dbraw/zinc/43/35/23/1001433523.db2.gz SPQXFGGJRFAQKH-MJGOQNOKSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000506482370 1001433527 /nfs/dbraw/zinc/43/35/27/1001433527.db2.gz SPQXFGGJRFAQKH-MJGOQNOKSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1c(NC(=O)CC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000506482369 1001433557 /nfs/dbraw/zinc/43/35/57/1001433557.db2.gz SPQXFGGJRFAQKH-IEBWSBKVSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1c(NC(=O)CC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000506482369 1001433559 /nfs/dbraw/zinc/43/35/59/1001433559.db2.gz SPQXFGGJRFAQKH-IEBWSBKVSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000506482369 1001433564 /nfs/dbraw/zinc/43/35/64/1001433564.db2.gz SPQXFGGJRFAQKH-IEBWSBKVSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000506482369 1001433569 /nfs/dbraw/zinc/43/35/69/1001433569.db2.gz SPQXFGGJRFAQKH-IEBWSBKVSA-N 2 1 402.539 3.818 20 5 HHBDMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000512184335 1004086123 /nfs/dbraw/zinc/08/61/23/1004086123.db2.gz XUKJVOMWMJIYHH-LJQANCHMSA-N 2 1 411.550 3.939 20 5 HHBDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000512184335 1004086132 /nfs/dbraw/zinc/08/61/32/1004086132.db2.gz XUKJVOMWMJIYHH-LJQANCHMSA-N 2 1 411.550 3.939 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512277027 1004178327 /nfs/dbraw/zinc/17/83/27/1004178327.db2.gz MPBWQBBOBWRGTD-DEOSSOPVSA-N 2 1 422.529 3.830 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512277027 1004178329 /nfs/dbraw/zinc/17/83/29/1004178329.db2.gz MPBWQBBOBWRGTD-DEOSSOPVSA-N 2 1 422.529 3.830 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512277027 1004178333 /nfs/dbraw/zinc/17/83/33/1004178333.db2.gz MPBWQBBOBWRGTD-DEOSSOPVSA-N 2 1 422.529 3.830 20 5 HHBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000513828234 1005148521 /nfs/dbraw/zinc/14/85/21/1005148521.db2.gz FYLXIQIKJLEJSZ-TWDDROGUSA-N 2 1 423.557 3.779 20 5 HHBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000513828234 1005148523 /nfs/dbraw/zinc/14/85/23/1005148523.db2.gz FYLXIQIKJLEJSZ-TWDDROGUSA-N 2 1 423.557 3.779 20 5 HHBDMP O=C(CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000534965018 1007016636 /nfs/dbraw/zinc/01/66/36/1007016636.db2.gz IBVNIPYINROWIJ-UHFFFAOYSA-N 2 1 422.529 3.912 20 5 HHBDMP O=[N+]([O-])c1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c2c(c1)COCO2 ZINC000535680428 1007708460 /nfs/dbraw/zinc/70/84/60/1007708460.db2.gz MACLCMXMYAUANO-UHFFFAOYSA-N 2 1 423.513 3.949 20 5 HHBDMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c2cccs2)CC1 ZINC000517675013 1007890473 /nfs/dbraw/zinc/89/04/73/1007890473.db2.gz MQASRCJNOJYKBX-WOJBJXKFSA-N 2 1 400.548 3.612 20 5 HHBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045660 1008255333 /nfs/dbraw/zinc/25/53/33/1008255333.db2.gz UFPJRVDETOVGDM-KRWDZBQOSA-N 2 1 411.506 3.555 20 5 HHBDMP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cc([N+](=O)[O-])ccc3OC(F)F)cc2)CC1 ZINC000551271220 1010486152 /nfs/dbraw/zinc/48/61/52/1010486152.db2.gz LUXFNAKDULITPE-UHFFFAOYSA-N 2 1 421.444 3.959 20 5 HHBDMP COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c([N+](=O)[O-])c1 ZINC000541023607 1011657797 /nfs/dbraw/zinc/65/77/97/1011657797.db2.gz DARCMBLABUOFQS-GJZGRUSLSA-N 2 1 423.473 3.775 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000573965314 1074744980 /nfs/dbraw/zinc/74/49/80/1074744980.db2.gz NXWPYKUVZWAMBC-SFTDATJTSA-N 2 1 422.529 3.686 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000573965314 1074744984 /nfs/dbraw/zinc/74/49/84/1074744984.db2.gz NXWPYKUVZWAMBC-SFTDATJTSA-N 2 1 422.529 3.686 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000573965314 1074744989 /nfs/dbraw/zinc/74/49/89/1074744989.db2.gz NXWPYKUVZWAMBC-SFTDATJTSA-N 2 1 422.529 3.686 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000303546479 971845950 /nfs/dbraw/zinc/84/59/50/971845950.db2.gz GUZACXGXQMWKKM-OALUTQOASA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000303546479 971845955 /nfs/dbraw/zinc/84/59/55/971845955.db2.gz GUZACXGXQMWKKM-OALUTQOASA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000303546479 971845956 /nfs/dbraw/zinc/84/59/56/971845956.db2.gz GUZACXGXQMWKKM-OALUTQOASA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000303546479 971845961 /nfs/dbraw/zinc/84/59/61/971845961.db2.gz GUZACXGXQMWKKM-OALUTQOASA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000112648748 969820924 /nfs/dbraw/zinc/82/09/24/969820924.db2.gz NRAMISXSUPIWMK-LJQANCHMSA-N 2 1 402.539 3.676 20 5 HHBDMP Cc1ccc(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000237203076 970240623 /nfs/dbraw/zinc/24/06/23/970240623.db2.gz XLKZPMZWHUOJKE-UHFFFAOYSA-N 2 1 413.518 3.683 20 5 HHBDMP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237463864 970293142 /nfs/dbraw/zinc/29/31/42/970293142.db2.gz XVBIXJOJKBZVFM-LJQANCHMSA-N 2 1 411.502 3.756 20 5 HHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCC[N@@H+]3CCC[C@H]3CO)o2)c(Cl)c1 ZINC000237964624 970406845 /nfs/dbraw/zinc/40/68/45/970406845.db2.gz FNYUESSBINWGJI-INIZCTEOSA-N 2 1 407.898 3.835 20 5 HHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCC[N@@H+]3CCC[C@@H]3CO)o2)c(Cl)c1 ZINC000237977312 970409564 /nfs/dbraw/zinc/40/95/64/970409564.db2.gz FNYUESSBINWGJI-MRXNPFEDSA-N 2 1 407.898 3.835 20 5 HHBDMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C[C@@H]2C1 ZINC000426000572 974114921 /nfs/dbraw/zinc/11/49/21/974114921.db2.gz HNPTWIRISBKTTA-BETUJISGSA-N 2 1 406.280 3.611 20 5 HHBDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C[C@@H]2C1 ZINC000426000572 974114930 /nfs/dbraw/zinc/11/49/30/974114930.db2.gz HNPTWIRISBKTTA-BETUJISGSA-N 2 1 406.280 3.611 20 5 HHBDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C[C@@H]2C1 ZINC000426000572 974114935 /nfs/dbraw/zinc/11/49/35/974114935.db2.gz HNPTWIRISBKTTA-BETUJISGSA-N 2 1 406.280 3.611 20 5 HHBDMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C[C@@H]2C1 ZINC000426000572 974114942 /nfs/dbraw/zinc/11/49/42/974114942.db2.gz HNPTWIRISBKTTA-BETUJISGSA-N 2 1 406.280 3.611 20 5 HHBDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000431838484 978546311 /nfs/dbraw/zinc/54/63/11/978546311.db2.gz SKSHVJQYXNWGID-UHFFFAOYSA-N 2 1 411.550 3.776 20 5 HHBDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432312958 978757144 /nfs/dbraw/zinc/75/71/44/978757144.db2.gz KUEZRZHQSRKSMN-UHFFFAOYSA-N 2 1 411.550 3.776 20 5 HHBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433108917 979076727 /nfs/dbraw/zinc/07/67/27/979076727.db2.gz BPNQRCOBTQVIKP-LJQANCHMSA-N 2 1 422.529 3.910 20 5 HHBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433108917 979076733 /nfs/dbraw/zinc/07/67/33/979076733.db2.gz BPNQRCOBTQVIKP-LJQANCHMSA-N 2 1 422.529 3.910 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434683249 980336962 /nfs/dbraw/zinc/33/69/62/980336962.db2.gz CILRAUZQQIUIKU-UHFFFAOYSA-N 2 1 411.506 3.644 20 5 HHBDMP Cc1c(NC(=O)CC[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000460350354 982122129 /nfs/dbraw/zinc/12/21/29/982122129.db2.gz UEUUWLGINMYHSH-PFWHTEFJSA-N 2 1 424.545 3.978 20 5 HHBDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000473528700 994385789 /nfs/dbraw/zinc/38/57/89/994385789.db2.gz VYEXWAVHPXRKDN-UHFFFAOYSA-N 2 1 411.550 3.776 20 5 HHBDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000478034237 998725596 /nfs/dbraw/zinc/72/55/96/998725596.db2.gz GGWOSKGOOBGYTD-GCJKJVERSA-N 2 1 414.550 3.677 20 5 HHBDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000478034237 998725601 /nfs/dbraw/zinc/72/56/01/998725601.db2.gz GGWOSKGOOBGYTD-GCJKJVERSA-N 2 1 414.550 3.677 20 5 HHBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000504899804 1000435748 /nfs/dbraw/zinc/43/57/48/1000435748.db2.gz MLFPVYURJKUGNL-UGKGYDQZSA-N 2 1 415.559 3.692 20 5 HHBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000504899804 1000435754 /nfs/dbraw/zinc/43/57/54/1000435754.db2.gz MLFPVYURJKUGNL-UGKGYDQZSA-N 2 1 415.559 3.692 20 5 HHBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495368872 1000987005 /nfs/dbraw/zinc/98/70/05/1000987005.db2.gz LMKINPASAIMPBF-HBFSDRIKSA-N 2 1 410.518 3.812 20 5 HHBDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000500131589 1003491753 /nfs/dbraw/zinc/49/17/53/1003491753.db2.gz WXOLGJSRMGNDAG-GOSISDBHSA-N 2 1 402.539 3.900 20 5 HHBDMP O=C(CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000512247110 1004150757 /nfs/dbraw/zinc/15/07/57/1004150757.db2.gz WJRJURFMLJPOBR-HSZRJFAPSA-N 2 1 408.502 3.521 20 5 HHBDMP O=C(CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000512247110 1004150766 /nfs/dbraw/zinc/15/07/66/1004150766.db2.gz WJRJURFMLJPOBR-HSZRJFAPSA-N 2 1 408.502 3.521 20 5 HHBDMP O=C(CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000512247110 1004150767 /nfs/dbraw/zinc/15/07/67/1004150767.db2.gz WJRJURFMLJPOBR-HSZRJFAPSA-N 2 1 408.502 3.521 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000510247706 1004423315 /nfs/dbraw/zinc/42/33/15/1004423315.db2.gz ZKKAUHDVRXIPKJ-UHFFFAOYSA-N 2 1 410.518 3.828 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000510247706 1004423320 /nfs/dbraw/zinc/42/33/20/1004423320.db2.gz ZKKAUHDVRXIPKJ-UHFFFAOYSA-N 2 1 410.518 3.828 20 5 HHBDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C/C=C/c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000538723217 1006999989 /nfs/dbraw/zinc/99/99/89/1006999989.db2.gz PJVFUSHUTRKDHT-FNORWQNLSA-N 2 1 400.567 3.736 20 5 HHBDMP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000538723217 1006999999 /nfs/dbraw/zinc/99/99/99/1006999999.db2.gz PJVFUSHUTRKDHT-FNORWQNLSA-N 3 1 400.567 3.736 20 5 HHBDMP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000538723217 1007000007 /nfs/dbraw/zinc/00/00/07/1007000007.db2.gz PJVFUSHUTRKDHT-FNORWQNLSA-N 3 1 400.567 3.736 20 5 HHBDMP CC[N@H+](CCC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1)CC1CC1 ZINC000538947413 1007233377 /nfs/dbraw/zinc/23/33/77/1007233377.db2.gz BZZKOEMAQDBSTJ-UHFFFAOYSA-N 2 1 413.522 3.979 20 5 HHBDMP CC[N@@H+](CCC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1)CC1CC1 ZINC000538947413 1007233391 /nfs/dbraw/zinc/23/33/91/1007233391.db2.gz BZZKOEMAQDBSTJ-UHFFFAOYSA-N 2 1 413.522 3.979 20 5 HHBDMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c2cccs2)CC1 ZINC000517675011 1007889653 /nfs/dbraw/zinc/88/96/53/1007889653.db2.gz MQASRCJNOJYKBX-UXHICEINSA-N 2 1 400.548 3.612 20 5 HHBDMP CC(C)c1ccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000550886347 1010242361 /nfs/dbraw/zinc/24/23/61/1010242361.db2.gz MITMPDXQJBJZQH-FQEVSTJZSA-N 2 1 402.564 3.858 20 5 HHBDMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000537107082 1012477043 /nfs/dbraw/zinc/47/70/43/1012477043.db2.gz HMVSCCLNYZGUPE-MRXNPFEDSA-N 2 1 416.497 3.735 20 5 HHBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000576029393 1071839717 /nfs/dbraw/zinc/83/97/17/1071839717.db2.gz KDJSFYAGXZDOFR-RDAIKCOWSA-N 2 1 417.550 3.588 20 5 HHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000303627424 971909401 /nfs/dbraw/zinc/90/94/01/971909401.db2.gz QDRWENCNVAHYIY-QZTJIDSGSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000303627424 971909406 /nfs/dbraw/zinc/90/94/06/971909406.db2.gz QDRWENCNVAHYIY-QZTJIDSGSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000303627424 971909408 /nfs/dbraw/zinc/90/94/08/971909408.db2.gz QDRWENCNVAHYIY-QZTJIDSGSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000303627424 971909411 /nfs/dbraw/zinc/90/94/11/971909411.db2.gz QDRWENCNVAHYIY-QZTJIDSGSA-N 2 1 418.538 3.518 20 5 HHBDMP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1)CC1CC1 ZINC000537847609 1013412969 /nfs/dbraw/zinc/41/29/69/1013412969.db2.gz UKNDXZPZDDBPGC-KRWDZBQOSA-N 2 1 402.539 3.756 20 5 HHBDMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1)CC1CC1 ZINC000537847609 1013412973 /nfs/dbraw/zinc/41/29/73/1013412973.db2.gz UKNDXZPZDDBPGC-KRWDZBQOSA-N 2 1 402.539 3.756 20 5 HHBDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000542885126 1013733068 /nfs/dbraw/zinc/73/30/68/1013733068.db2.gz PFQPMNZBVXZWSH-BTYIYWSLSA-N 2 1 405.458 3.545 20 5 HHBDMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000110790165 969723915 /nfs/dbraw/zinc/72/39/15/969723915.db2.gz QBJKVWOFWYWXAS-UHFFFAOYSA-N 2 1 421.501 3.989 20 5 HHBDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000110790165 969723921 /nfs/dbraw/zinc/72/39/21/969723921.db2.gz QBJKVWOFWYWXAS-UHFFFAOYSA-N 2 1 421.501 3.989 20 5 HHBDMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000237164759 970234469 /nfs/dbraw/zinc/23/44/69/970234469.db2.gz XQWZLTRXUMQCGZ-UHFFFAOYSA-N 2 1 420.941 3.871 20 5 HHBDMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237425939 970283183 /nfs/dbraw/zinc/28/31/83/970283183.db2.gz LZGRFKXQLYPLDQ-LJQANCHMSA-N 2 1 411.502 3.756 20 5 HHBDMP COc1ccc(OCC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430826622 977781703 /nfs/dbraw/zinc/78/17/03/977781703.db2.gz IHEWXUKBUDGDEF-UYAOXDASSA-N 2 1 413.518 3.967 20 5 HHBDMP COc1ccc(OCC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430826622 977781710 /nfs/dbraw/zinc/78/17/10/977781710.db2.gz IHEWXUKBUDGDEF-UYAOXDASSA-N 2 1 413.518 3.967 20 5 HHBDMP COc1ccc(OCC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430826622 977781718 /nfs/dbraw/zinc/78/17/18/977781718.db2.gz IHEWXUKBUDGDEF-UYAOXDASSA-N 2 1 413.518 3.967 20 5 HHBDMP COc1ccc(OCC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430826622 977781725 /nfs/dbraw/zinc/78/17/25/977781725.db2.gz IHEWXUKBUDGDEF-UYAOXDASSA-N 2 1 413.518 3.967 20 5 HHBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433176179 979119973 /nfs/dbraw/zinc/11/99/73/979119973.db2.gz PTKNGCVJZDSNHI-IBGZPJMESA-N 2 1 422.529 3.910 20 5 HHBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433176179 979119991 /nfs/dbraw/zinc/11/99/91/979119991.db2.gz PTKNGCVJZDSNHI-IBGZPJMESA-N 2 1 422.529 3.910 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460356238 982129138 /nfs/dbraw/zinc/12/91/38/982129138.db2.gz BCAPISVQUBNYRI-HROJSSOGSA-N 2 1 424.545 3.978 20 5 HHBDMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000442872137 985253439 /nfs/dbraw/zinc/25/34/39/985253439.db2.gz JFWGWYILBRPJFZ-MRXNPFEDSA-N 2 1 402.564 4.000 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469771211 987422966 /nfs/dbraw/zinc/42/29/66/987422966.db2.gz YMHMKPRNTCRYTM-CYGODWOOSA-N 2 1 410.518 3.588 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000469771211 987422972 /nfs/dbraw/zinc/42/29/72/987422972.db2.gz YMHMKPRNTCRYTM-CYGODWOOSA-N 2 1 410.518 3.588 20 5 HHBDMP Cc1cc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000473779945 994702100 /nfs/dbraw/zinc/70/21/00/994702100.db2.gz GUXONYQFVYECOD-UHFFFAOYSA-N 2 1 417.554 3.563 20 5 HHBDMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000482633475 995627318 /nfs/dbraw/zinc/62/73/18/995627318.db2.gz QQVMCJGWVBETBG-RBBKRZOGSA-N 2 1 410.518 3.533 20 5 HHBDMP CCC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000482633559 995628444 /nfs/dbraw/zinc/62/84/44/995628444.db2.gz RAQLFLDZUOOPDA-GGAORHGYSA-N 2 1 424.545 3.923 20 5 HHBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495433041 1001011047 /nfs/dbraw/zinc/01/10/47/1001011047.db2.gz MTUOQTAIYDHPRA-HBFSDRIKSA-N 2 1 410.518 3.812 20 5 HHBDMP Cc1c(NC(=O)CC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000506482371 1001433329 /nfs/dbraw/zinc/43/33/29/1001433329.db2.gz SPQXFGGJRFAQKH-PKOBYXMFSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1c(NC(=O)CC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000506482371 1001433332 /nfs/dbraw/zinc/43/33/32/1001433332.db2.gz SPQXFGGJRFAQKH-PKOBYXMFSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000506482371 1001433335 /nfs/dbraw/zinc/43/33/35/1001433335.db2.gz SPQXFGGJRFAQKH-PKOBYXMFSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000506482371 1001433341 /nfs/dbraw/zinc/43/33/41/1001433341.db2.gz SPQXFGGJRFAQKH-PKOBYXMFSA-N 2 1 402.539 3.818 20 5 HHBDMP O=C(CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)Nc1ccccc1[N+](=O)[O-] ZINC000500072423 1003423821 /nfs/dbraw/zinc/42/38/21/1003423821.db2.gz CHNMADDTSJLSRO-DEOSSOPVSA-N 2 1 422.529 3.912 20 5 HHBDMP O=C(CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)Nc1ccccc1[N+](=O)[O-] ZINC000500072423 1003423829 /nfs/dbraw/zinc/42/38/29/1003423829.db2.gz CHNMADDTSJLSRO-DEOSSOPVSA-N 2 1 422.529 3.912 20 5 HHBDMP O=C(CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)Nc1ccccc1[N+](=O)[O-] ZINC000500072423 1003423835 /nfs/dbraw/zinc/42/38/35/1003423835.db2.gz CHNMADDTSJLSRO-DEOSSOPVSA-N 2 1 422.529 3.912 20 5 HHBDMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000517544432 1007759545 /nfs/dbraw/zinc/75/95/45/1007759545.db2.gz LZVJWQBZUHHVAX-UHFFFAOYSA-N 2 1 405.252 3.912 20 5 HHBDMP CC[N@H+](CCC1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1)CC(C)C ZINC000540195496 1008331258 /nfs/dbraw/zinc/33/12/58/1008331258.db2.gz UUJRURIAQNZBTR-UHFFFAOYSA-N 2 1 416.566 3.564 20 5 HHBDMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1)CC(C)C ZINC000540195496 1008331259 /nfs/dbraw/zinc/33/12/59/1008331259.db2.gz UUJRURIAQNZBTR-UHFFFAOYSA-N 2 1 416.566 3.564 20 5 HHBDMP Cc1cc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301817205 971074492 /nfs/dbraw/zinc/07/44/92/971074492.db2.gz HRUITFQSFDTFGH-UHFFFAOYSA-N 2 1 424.549 3.722 20 5 HHBDMP COc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000537698780 1013264143 /nfs/dbraw/zinc/26/41/43/1013264143.db2.gz XTPFKLAMUKFXON-VQPPSCEASA-N 2 1 415.490 3.547 20 5 HHBDMP COc1ccc(-c2ccc(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000537698780 1013264147 /nfs/dbraw/zinc/26/41/47/1013264147.db2.gz XTPFKLAMUKFXON-VQPPSCEASA-N 2 1 415.490 3.547 20 5 HHBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843393 1013405106 /nfs/dbraw/zinc/40/51/06/1013405106.db2.gz QENYXIMYNWTBFX-QGZVFWFLSA-N 2 1 411.506 3.555 20 5 HHBDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000537843963 1013406779 /nfs/dbraw/zinc/40/67/79/1013406779.db2.gz ZPBLIVKJDCZDPO-UHFFFAOYSA-N 2 1 422.489 3.778 20 5 HHBDMP Cc1c(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000052713774 964960219 /nfs/dbraw/zinc/96/02/19/964960219.db2.gz CVGJCIMMTHEWLG-SFHVURJKSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1ccc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1[N+](=O)[O-] ZINC000431096623 978016420 /nfs/dbraw/zinc/01/64/20/978016420.db2.gz ZVCJJLKUQCNSIT-UHFFFAOYSA-N 2 1 417.554 3.563 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481180256 994010351 /nfs/dbraw/zinc/01/03/51/994010351.db2.gz KLQZKCRBBIXTFB-RXVVDRJESA-N 2 1 410.518 3.732 20 5 HHBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481190870 994023555 /nfs/dbraw/zinc/02/35/55/994023555.db2.gz PNVGGRCTIHZRIE-QAPCUYQASA-N 2 1 416.909 3.687 20 5 HHBDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481190869 994023664 /nfs/dbraw/zinc/02/36/64/994023664.db2.gz PNVGGRCTIHZRIE-MAUKXSAKSA-N 2 1 416.909 3.687 20 5 HHBDMP CCC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000482633561 995628477 /nfs/dbraw/zinc/62/84/77/995628477.db2.gz RAQLFLDZUOOPDA-GMAHTHKFSA-N 2 1 424.545 3.923 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506480164 1001431664 /nfs/dbraw/zinc/43/16/64/1001431664.db2.gz KUCPPCQIZFPWEQ-RBUKOAKNSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506480164 1001431666 /nfs/dbraw/zinc/43/16/66/1001431666.db2.gz KUCPPCQIZFPWEQ-RBUKOAKNSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506480164 1001431669 /nfs/dbraw/zinc/43/16/69/1001431669.db2.gz KUCPPCQIZFPWEQ-RBUKOAKNSA-N 2 1 402.539 3.818 20 5 HHBDMP O=C(CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000512284824 1004187140 /nfs/dbraw/zinc/18/71/40/1004187140.db2.gz DRJQJIRPYNYIOQ-QHCPKHFHSA-N 2 1 408.502 3.521 20 5 HHBDMP O=C(CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000512284824 1004187148 /nfs/dbraw/zinc/18/71/48/1004187148.db2.gz DRJQJIRPYNYIOQ-QHCPKHFHSA-N 2 1 408.502 3.521 20 5 HHBDMP O=C(CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000512284824 1004187154 /nfs/dbraw/zinc/18/71/54/1004187154.db2.gz DRJQJIRPYNYIOQ-QHCPKHFHSA-N 2 1 408.502 3.521 20 5 HHBDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)CC1 ZINC000513457225 1004974969 /nfs/dbraw/zinc/97/49/69/1004974969.db2.gz VQNLGCOOARMSHG-QGZVFWFLSA-N 2 1 418.925 3.720 20 5 HHBDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)CC1 ZINC000513466956 1004979071 /nfs/dbraw/zinc/97/90/71/1004979071.db2.gz NHYPDGVKPASKTH-IBGZPJMESA-N 2 1 400.548 3.535 20 5 HHBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534967713 1007021952 /nfs/dbraw/zinc/02/19/52/1007021952.db2.gz YUSFNNUUBGYHHH-IBGZPJMESA-N 2 1 422.529 3.910 20 5 HHBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534967713 1007021966 /nfs/dbraw/zinc/02/19/66/1007021966.db2.gz YUSFNNUUBGYHHH-IBGZPJMESA-N 2 1 422.529 3.910 20 5 HHBDMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1)CC1CC1 ZINC000540049837 1008258879 /nfs/dbraw/zinc/25/88/79/1008258879.db2.gz JGELVLJUKRDBNY-JOCHJYFZSA-N 2 1 414.550 3.534 20 5 HHBDMP CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000543775198 1009343852 /nfs/dbraw/zinc/34/38/52/1009343852.db2.gz BBAYEZBEVXSJTJ-UWJYYQICSA-N 2 1 413.518 3.801 20 5 HHBDMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)C[C@H](C)O1 ZINC000536366856 1011574656 /nfs/dbraw/zinc/57/46/56/1011574656.db2.gz BBRDMLRSDJRALX-CALCHBBNSA-N 2 1 414.506 3.571 20 5 HHBDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)C[C@H](C)O1 ZINC000536366856 1011574671 /nfs/dbraw/zinc/57/46/71/1011574671.db2.gz BBRDMLRSDJRALX-CALCHBBNSA-N 2 1 414.506 3.571 20 5 HHBDMP Cn1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537627352 1013178167 /nfs/dbraw/zinc/17/81/67/1013178167.db2.gz USJGLDBRCNHLNQ-FQEVSTJZSA-N 2 1 419.529 3.949 20 5 HHBDMP Cn1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537627352 1013178176 /nfs/dbraw/zinc/17/81/76/1013178176.db2.gz USJGLDBRCNHLNQ-FQEVSTJZSA-N 2 1 419.529 3.949 20 5 HHBDMP Cn1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537627352 1013178188 /nfs/dbraw/zinc/17/81/88/1013178188.db2.gz USJGLDBRCNHLNQ-FQEVSTJZSA-N 2 1 419.529 3.949 20 5 HHBDMP Cn1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537627352 1013178197 /nfs/dbraw/zinc/17/81/97/1013178197.db2.gz USJGLDBRCNHLNQ-FQEVSTJZSA-N 2 1 419.529 3.949 20 5 HHBDMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000236941449 970192023 /nfs/dbraw/zinc/19/20/23/970192023.db2.gz DEUILILMZVNYLY-UHFFFAOYSA-N 2 1 402.564 3.831 20 5 HHBDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000429256090 976544626 /nfs/dbraw/zinc/54/46/26/976544626.db2.gz PELMXAIGJLRDAU-AWEZNQCLSA-N 2 1 407.902 3.746 20 5 HHBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000429256090 976544638 /nfs/dbraw/zinc/54/46/38/976544638.db2.gz PELMXAIGJLRDAU-AWEZNQCLSA-N 2 1 407.902 3.746 20 5 HHBDMP COc1ccc(OCC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430826620 977781844 /nfs/dbraw/zinc/78/18/44/977781844.db2.gz IHEWXUKBUDGDEF-ICSRJNTNSA-N 2 1 413.518 3.967 20 5 HHBDMP COc1ccc(OCC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430826620 977781854 /nfs/dbraw/zinc/78/18/54/977781854.db2.gz IHEWXUKBUDGDEF-ICSRJNTNSA-N 2 1 413.518 3.967 20 5 HHBDMP COc1ccc(OCC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430826620 977781864 /nfs/dbraw/zinc/78/18/64/977781864.db2.gz IHEWXUKBUDGDEF-ICSRJNTNSA-N 2 1 413.518 3.967 20 5 HHBDMP COc1ccc(OCC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430826620 977781872 /nfs/dbraw/zinc/78/18/72/977781872.db2.gz IHEWXUKBUDGDEF-ICSRJNTNSA-N 2 1 413.518 3.967 20 5 HHBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433116533 979080528 /nfs/dbraw/zinc/08/05/28/979080528.db2.gz ROQCJRFGASDFAE-UHFFFAOYSA-N 2 1 422.529 3.830 20 5 HHBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433116533 979080535 /nfs/dbraw/zinc/08/05/35/979080535.db2.gz ROQCJRFGASDFAE-UHFFFAOYSA-N 2 1 422.529 3.830 20 5 HHBDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000478034240 998725580 /nfs/dbraw/zinc/72/55/80/998725580.db2.gz GGWOSKGOOBGYTD-XMSQKQJNSA-N 2 1 414.550 3.677 20 5 HHBDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000478034240 998725583 /nfs/dbraw/zinc/72/55/83/998725583.db2.gz GGWOSKGOOBGYTD-XMSQKQJNSA-N 2 1 414.550 3.677 20 5 HHBDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000494484859 1000517732 /nfs/dbraw/zinc/51/77/32/1000517732.db2.gz KZGSZNPBQBWBME-KBXCAEBGSA-N 2 1 403.445 3.840 20 5 HHBDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000494484859 1000517737 /nfs/dbraw/zinc/51/77/37/1000517737.db2.gz KZGSZNPBQBWBME-KBXCAEBGSA-N 2 1 403.445 3.840 20 5 HHBDMP C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501046544 1004147206 /nfs/dbraw/zinc/14/72/06/1004147206.db2.gz PTOIOIXCIVYQRD-UHFFFAOYSA-N 2 1 407.474 3.993 20 5 HHBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532187463 1006706554 /nfs/dbraw/zinc/70/65/54/1006706554.db2.gz SMIIOIIJNMJQPS-PXNSSMCTSA-N 2 1 402.564 3.556 20 5 HHBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000532545889 1006978264 /nfs/dbraw/zinc/97/82/64/1006978264.db2.gz ZSTPFCLSCUFKCX-GOSISDBHSA-N 2 1 410.518 3.766 20 5 HHBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000532545889 1006978276 /nfs/dbraw/zinc/97/82/76/1006978276.db2.gz ZSTPFCLSCUFKCX-GOSISDBHSA-N 2 1 410.518 3.766 20 5 HHBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000532950467 1007319773 /nfs/dbraw/zinc/31/97/73/1007319773.db2.gz MEPCZPPWVXLBAM-GOSISDBHSA-N 2 1 418.538 3.520 20 5 HHBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000532950467 1007319787 /nfs/dbraw/zinc/31/97/87/1007319787.db2.gz MEPCZPPWVXLBAM-GOSISDBHSA-N 2 1 418.538 3.520 20 5 HHBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045666 1008255158 /nfs/dbraw/zinc/25/51/58/1008255158.db2.gz UFPJRVDETOVGDM-QGZVFWFLSA-N 2 1 411.506 3.555 20 5 HHBDMP CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000543775194 1009343292 /nfs/dbraw/zinc/34/32/92/1009343292.db2.gz BBAYEZBEVXSJTJ-LAUBAEHRSA-N 2 1 413.518 3.801 20 5 HHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000541026787 1011661863 /nfs/dbraw/zinc/66/18/63/1011661863.db2.gz GEHBWVHUFFWSOL-HNNXBMFYSA-N 2 1 423.473 3.777 20 5 HHBDMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1)CC1CC1 ZINC000536736925 1011916287 /nfs/dbraw/zinc/91/62/87/1011916287.db2.gz HOJSMQBSRJZEKT-UHFFFAOYSA-N 2 1 402.539 3.676 20 5 HHBDMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1)CC1CC1 ZINC000536736925 1011916297 /nfs/dbraw/zinc/91/62/97/1011916297.db2.gz HOJSMQBSRJZEKT-UHFFFAOYSA-N 2 1 402.539 3.676 20 5 HHBDMP CC[N@H+](CCC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1)CC1CC1 ZINC000536738256 1011920156 /nfs/dbraw/zinc/92/01/56/1011920156.db2.gz NMCQBLTYZKGVLQ-UHFFFAOYSA-N 2 1 413.522 3.979 20 5 HHBDMP CC[N@@H+](CCC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1)CC1CC1 ZINC000536738256 1011920164 /nfs/dbraw/zinc/92/01/64/1011920164.db2.gz NMCQBLTYZKGVLQ-UHFFFAOYSA-N 2 1 413.522 3.979 20 5 HHBDMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000537107081 1012477178 /nfs/dbraw/zinc/47/71/78/1012477178.db2.gz HMVSCCLNYZGUPE-INIZCTEOSA-N 2 1 416.497 3.735 20 5 HHBDMP Cc1cc(N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302404182 971233848 /nfs/dbraw/zinc/23/38/48/971233848.db2.gz FLXMZODRURFTOY-HSZRJFAPSA-N 2 1 406.486 3.525 20 5 HHBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000537621503 1013166583 /nfs/dbraw/zinc/16/65/83/1013166583.db2.gz UNSOQEFPUXUKMI-UHFFFAOYSA-N 2 1 418.582 3.622 20 5 HHBDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000542885127 1013732679 /nfs/dbraw/zinc/73/26/79/1013732679.db2.gz PFQPMNZBVXZWSH-QVKFZJNVSA-N 2 1 405.458 3.545 20 5 HHBDMP COc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c([N+](=O)[O-])c1 ZINC000538262688 1013803763 /nfs/dbraw/zinc/80/37/63/1013803763.db2.gz GAWMSTOEWLXTLR-OAHLLOKOSA-N 2 1 423.473 3.777 20 5 HHBDMP C[C@H](CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000237465829 970293277 /nfs/dbraw/zinc/29/32/77/970293277.db2.gz QMLRYXIEENOFKK-GOSISDBHSA-N 2 1 407.518 3.996 20 5 HHBDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000429256091 976544382 /nfs/dbraw/zinc/54/43/82/976544382.db2.gz PELMXAIGJLRDAU-CQSZACIVSA-N 2 1 407.902 3.746 20 5 HHBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000429256091 976544393 /nfs/dbraw/zinc/54/43/93/976544393.db2.gz PELMXAIGJLRDAU-CQSZACIVSA-N 2 1 407.902 3.746 20 5 HHBDMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)cc2)CC1 ZINC000433171077 979115403 /nfs/dbraw/zinc/11/54/03/979115403.db2.gz CDHNPYOTARRKAS-HSZRJFAPSA-N 2 1 408.546 3.854 20 5 HHBDMP COc1ccc(OCC[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000441516329 984298438 /nfs/dbraw/zinc/29/84/38/984298438.db2.gz XZEKTGWGFKYAQE-UHFFFAOYSA-N 2 1 413.518 3.826 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506480165 1001432242 /nfs/dbraw/zinc/43/22/42/1001432242.db2.gz KUCPPCQIZFPWEQ-RTBURBONSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506480165 1001432244 /nfs/dbraw/zinc/43/22/44/1001432244.db2.gz KUCPPCQIZFPWEQ-RTBURBONSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506480165 1001432246 /nfs/dbraw/zinc/43/22/46/1001432246.db2.gz KUCPPCQIZFPWEQ-RTBURBONSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534963193 1007013925 /nfs/dbraw/zinc/01/39/25/1007013925.db2.gz URESVXAJNTWMQB-UHFFFAOYSA-N 2 1 422.529 3.830 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534963193 1007013936 /nfs/dbraw/zinc/01/39/36/1007013936.db2.gz URESVXAJNTWMQB-UHFFFAOYSA-N 2 1 422.529 3.830 20 5 HHBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000533275435 1007587135 /nfs/dbraw/zinc/58/71/35/1007587135.db2.gz ULUDMDSRJHHAPE-SFHVURJKSA-N 2 1 410.518 3.766 20 5 HHBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000533275435 1007587141 /nfs/dbraw/zinc/58/71/41/1007587141.db2.gz ULUDMDSRJHHAPE-SFHVURJKSA-N 2 1 410.518 3.766 20 5 HHBDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000517557737 1007768824 /nfs/dbraw/zinc/76/88/24/1007768824.db2.gz TUOGPDSBRADVJY-JPYJTQIMSA-N 2 1 422.529 3.864 20 5 HHBDMP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC000543773499 1009341849 /nfs/dbraw/zinc/34/18/49/1009341849.db2.gz KBMXKONRMHOKDF-XZOQPEGZSA-N 2 1 409.530 3.662 20 5 HHBDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544422570 1010043654 /nfs/dbraw/zinc/04/36/54/1010043654.db2.gz YKGYHIYIZLSJGQ-ILXRZTDVSA-N 2 1 408.930 3.818 20 5 HHBDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544422570 1010043667 /nfs/dbraw/zinc/04/36/67/1010043667.db2.gz YKGYHIYIZLSJGQ-ILXRZTDVSA-N 2 1 408.930 3.818 20 5 HHBDMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000521838914 1010651430 /nfs/dbraw/zinc/65/14/30/1010651430.db2.gz LUQNJVLMMXKWIY-FDDCHVKYSA-N 2 1 422.529 3.722 20 5 HHBDMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000540590513 1011246191 /nfs/dbraw/zinc/24/61/91/1011246191.db2.gz IPGNTBYHUSVSJP-FQEVSTJZSA-N 2 1 424.545 3.597 20 5 HHBDMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000540590513 1011246207 /nfs/dbraw/zinc/24/62/07/1011246207.db2.gz IPGNTBYHUSVSJP-FQEVSTJZSA-N 2 1 424.545 3.597 20 5 HHBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000541915648 1012773679 /nfs/dbraw/zinc/77/36/79/1012773679.db2.gz VCCDLKBCCNGMSM-WOJBJXKFSA-N 2 1 415.559 3.822 20 5 HHBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000541915646 1012774345 /nfs/dbraw/zinc/77/43/45/1012774345.db2.gz VCCDLKBCCNGMSM-UXHICEINSA-N 2 1 415.559 3.822 20 5 HHBDMP CN(c1ccccc1)c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000524067496 1012828349 /nfs/dbraw/zinc/82/83/49/1012828349.db2.gz VFOZBLTVMNHQIM-FQEVSTJZSA-N 2 1 424.545 3.953 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000303546486 971846197 /nfs/dbraw/zinc/84/61/97/971846197.db2.gz GUZACXGXQMWKKM-RTBURBONSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000303546486 971846211 /nfs/dbraw/zinc/84/62/11/971846211.db2.gz GUZACXGXQMWKKM-RTBURBONSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000303546486 971846218 /nfs/dbraw/zinc/84/62/18/971846218.db2.gz GUZACXGXQMWKKM-RTBURBONSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000303546486 971846237 /nfs/dbraw/zinc/84/62/37/971846237.db2.gz GUZACXGXQMWKKM-RTBURBONSA-N 2 1 402.539 3.818 20 5 HHBDMP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000303583845 971876456 /nfs/dbraw/zinc/87/64/56/971876456.db2.gz KWZWHAFFMLPYOS-ROUUACIJSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000303583845 971876462 /nfs/dbraw/zinc/87/64/62/971876462.db2.gz KWZWHAFFMLPYOS-ROUUACIJSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1ccc(NC(=O)CC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000303583845 971876464 /nfs/dbraw/zinc/87/64/64/971876464.db2.gz KWZWHAFFMLPYOS-ROUUACIJSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1ccc(NC(=O)CC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000303583845 971876474 /nfs/dbraw/zinc/87/64/74/971876474.db2.gz KWZWHAFFMLPYOS-ROUUACIJSA-N 2 1 418.538 3.518 20 5 HHBDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000542885128 1013732828 /nfs/dbraw/zinc/73/28/28/1013732828.db2.gz PFQPMNZBVXZWSH-VFNWGFHPSA-N 2 1 405.458 3.545 20 5 HHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000538269204 1013809531 /nfs/dbraw/zinc/80/95/31/1013809531.db2.gz VPOMLQOEZVRNBT-GJZGRUSLSA-N 2 1 423.473 3.775 20 5 HHBDMP CC(C)[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1CC[NH+](C)CC1 ZINC000236690648 970156098 /nfs/dbraw/zinc/15/60/98/970156098.db2.gz ZAVUBOFWCHRUNE-FQEVSTJZSA-N 2 1 420.941 3.870 20 5 HHBDMP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237766547 970360561 /nfs/dbraw/zinc/36/05/61/970360561.db2.gz UHGONBBFCNFETC-FQEVSTJZSA-N 2 1 419.529 3.650 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431097538 978017063 /nfs/dbraw/zinc/01/70/63/978017063.db2.gz BRNUOOWUGBSAMY-UHFFFAOYSA-N 2 1 417.554 3.563 20 5 HHBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495368874 1000986846 /nfs/dbraw/zinc/98/68/46/1000986846.db2.gz LMKINPASAIMPBF-WSTZPKSXSA-N 2 1 410.518 3.812 20 5 HHBDMP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508547105 1003022108 /nfs/dbraw/zinc/02/21/08/1003022108.db2.gz AGUDFXQZGPKJBO-HXUWFJFHSA-N 2 1 413.518 3.956 20 5 HHBDMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508547105 1003022126 /nfs/dbraw/zinc/02/21/26/1003022126.db2.gz AGUDFXQZGPKJBO-HXUWFJFHSA-N 2 1 413.518 3.956 20 5 HHBDMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508547105 1003022139 /nfs/dbraw/zinc/02/21/39/1003022139.db2.gz AGUDFXQZGPKJBO-HXUWFJFHSA-N 2 1 413.518 3.956 20 5 HHBDMP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508547105 1003022115 /nfs/dbraw/zinc/02/21/15/1003022115.db2.gz AGUDFXQZGPKJBO-HXUWFJFHSA-N 2 1 413.518 3.956 20 5 HHBDMP O=C(CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000512247111 1004150310 /nfs/dbraw/zinc/15/03/10/1004150310.db2.gz WJRJURFMLJPOBR-QHCPKHFHSA-N 2 1 408.502 3.521 20 5 HHBDMP O=C(CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000512247111 1004150318 /nfs/dbraw/zinc/15/03/18/1004150318.db2.gz WJRJURFMLJPOBR-QHCPKHFHSA-N 2 1 408.502 3.521 20 5 HHBDMP O=C(CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000512247111 1004150324 /nfs/dbraw/zinc/15/03/24/1004150324.db2.gz WJRJURFMLJPOBR-QHCPKHFHSA-N 2 1 408.502 3.521 20 5 HHBDMP CN(c1ccccc1)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000531759120 1006402610 /nfs/dbraw/zinc/40/26/10/1006402610.db2.gz GPASCISOVBWISD-ISKFKSNPSA-N 2 1 424.545 3.830 20 5 HHBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532187465 1006706161 /nfs/dbraw/zinc/70/61/61/1006706161.db2.gz SMIIOIIJNMJQPS-YLJYHZDGSA-N 2 1 402.564 3.556 20 5 HHBDMP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000532544301 1006977239 /nfs/dbraw/zinc/97/72/39/1006977239.db2.gz FXELOCHMAUANIH-HSZRJFAPSA-N 2 1 422.529 3.544 20 5 HHBDMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000532544301 1006977253 /nfs/dbraw/zinc/97/72/53/1006977253.db2.gz FXELOCHMAUANIH-HSZRJFAPSA-N 2 1 422.529 3.544 20 5 HHBDMP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000532544302 1006977416 /nfs/dbraw/zinc/97/74/16/1006977416.db2.gz FXELOCHMAUANIH-QHCPKHFHSA-N 2 1 422.529 3.544 20 5 HHBDMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000532544302 1006977434 /nfs/dbraw/zinc/97/74/34/1006977434.db2.gz FXELOCHMAUANIH-QHCPKHFHSA-N 2 1 422.529 3.544 20 5 HHBDMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000533242626 1007562667 /nfs/dbraw/zinc/56/26/67/1007562667.db2.gz XFWPQNKETSJHER-QFIPXVFZSA-N 2 1 410.518 3.857 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549868509 1009488922 /nfs/dbraw/zinc/48/89/22/1009488922.db2.gz XITAOFLAPAWBIJ-JOCHJYFZSA-N 2 1 409.530 3.922 20 5 HHBDMP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000536737700 1011918111 /nfs/dbraw/zinc/91/81/11/1011918111.db2.gz RBWLJSAOYBIDHZ-KRWDZBQOSA-N 2 1 402.539 3.756 20 5 HHBDMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000536737700 1011918121 /nfs/dbraw/zinc/91/81/21/1011918121.db2.gz RBWLJSAOYBIDHZ-KRWDZBQOSA-N 2 1 402.539 3.756 20 5 HHBDMP CCc1ccc([C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541545430 1012331794 /nfs/dbraw/zinc/33/17/94/1012331794.db2.gz MWUKCALANACPHD-HSZRJFAPSA-N 2 1 414.550 3.703 20 5 HHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000303627429 971909255 /nfs/dbraw/zinc/90/92/55/971909255.db2.gz QDRWENCNVAHYIY-ZWKOTPCHSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000303627429 971909260 /nfs/dbraw/zinc/90/92/60/971909260.db2.gz QDRWENCNVAHYIY-ZWKOTPCHSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000303627429 971909265 /nfs/dbraw/zinc/90/92/65/971909265.db2.gz QDRWENCNVAHYIY-ZWKOTPCHSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000303627429 971909270 /nfs/dbraw/zinc/90/92/70/971909270.db2.gz QDRWENCNVAHYIY-ZWKOTPCHSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c([N+](=O)[O-])c1 ZINC000538262685 1013803699 /nfs/dbraw/zinc/80/36/99/1013803699.db2.gz GAWMSTOEWLXTLR-HNNXBMFYSA-N 2 1 423.473 3.777 20 5 HHBDMP O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CNCCC[NH+]2CCC(O)CC2)cc1 ZINC000238150709 970450204 /nfs/dbraw/zinc/45/02/04/970450204.db2.gz NBXIIFGNLDAVGJ-UHFFFAOYSA-N 2 1 419.909 3.977 20 5 HHBDMP O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000238150709 970450207 /nfs/dbraw/zinc/45/02/07/970450207.db2.gz NBXIIFGNLDAVGJ-UHFFFAOYSA-N 2 1 419.909 3.977 20 5 HHBDMP CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000470149526 988057218 /nfs/dbraw/zinc/05/72/18/988057218.db2.gz ATPGCGZTZUZZOM-VQTJNVASSA-N 2 1 421.517 3.535 20 5 HHBDMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000482633477 995627396 /nfs/dbraw/zinc/62/73/96/995627396.db2.gz QQVMCJGWVBETBG-UNMCSNQZSA-N 2 1 410.518 3.533 20 5 HHBDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000487116541 999067465 /nfs/dbraw/zinc/06/74/65/999067465.db2.gz GWXMJLNJCYWECR-UHFFFAOYSA-N 2 1 411.550 3.776 20 5 HHBDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000488129054 999385878 /nfs/dbraw/zinc/38/58/78/999385878.db2.gz TWNCDWJOHUQXEF-UHFFFAOYSA-N 2 1 411.550 3.776 20 5 HHBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000504899802 1000436004 /nfs/dbraw/zinc/43/60/04/1000436004.db2.gz MLFPVYURJKUGNL-KNQAVFIVSA-N 2 1 415.559 3.692 20 5 HHBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000504899802 1000436010 /nfs/dbraw/zinc/43/60/10/1000436010.db2.gz MLFPVYURJKUGNL-KNQAVFIVSA-N 2 1 415.559 3.692 20 5 HHBDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)CC1 ZINC000538721607 1006995558 /nfs/dbraw/zinc/99/55/58/1006995558.db2.gz UGAMASBXIARCQI-SFHVURJKSA-N 2 1 414.575 3.924 20 5 HHBDMP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000533271751 1007586719 /nfs/dbraw/zinc/58/67/19/1007586719.db2.gz UQAWOBVJNUPACO-SFHVURJKSA-N 2 1 418.538 3.520 20 5 HHBDMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000533271751 1007586726 /nfs/dbraw/zinc/58/67/26/1007586726.db2.gz UQAWOBVJNUPACO-SFHVURJKSA-N 2 1 418.538 3.520 20 5 HHBDMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000533413274 1007719739 /nfs/dbraw/zinc/71/97/39/1007719739.db2.gz UXZIJIDRNBAINK-UHFFFAOYSA-N 2 1 421.501 3.989 20 5 HHBDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000533413274 1007719749 /nfs/dbraw/zinc/71/97/49/1007719749.db2.gz UXZIJIDRNBAINK-UHFFFAOYSA-N 2 1 421.501 3.989 20 5 HHBDMP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000303583848 971876405 /nfs/dbraw/zinc/87/64/05/971876405.db2.gz KWZWHAFFMLPYOS-ZWKOTPCHSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000303583848 971876411 /nfs/dbraw/zinc/87/64/11/971876411.db2.gz KWZWHAFFMLPYOS-ZWKOTPCHSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1ccc(NC(=O)CC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000303583848 971876416 /nfs/dbraw/zinc/87/64/16/971876416.db2.gz KWZWHAFFMLPYOS-ZWKOTPCHSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1ccc(NC(=O)CC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000303583848 971876427 /nfs/dbraw/zinc/87/64/27/971876427.db2.gz KWZWHAFFMLPYOS-ZWKOTPCHSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000537698782 1013264310 /nfs/dbraw/zinc/26/43/10/1013264310.db2.gz XTPFKLAMUKFXON-WQFQCULDSA-N 2 1 415.490 3.547 20 5 HHBDMP COc1ccc(-c2ccc(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000537698782 1013264318 /nfs/dbraw/zinc/26/43/18/1013264318.db2.gz XTPFKLAMUKFXON-WQFQCULDSA-N 2 1 415.490 3.547 20 5 HHBDMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1)CC(C)C ZINC000537996462 1013571236 /nfs/dbraw/zinc/57/12/36/1013571236.db2.gz ZYCJLYCDUQLHSB-UHFFFAOYSA-N 2 1 404.555 3.922 20 5 HHBDMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1)CC(C)C ZINC000537996462 1013571243 /nfs/dbraw/zinc/57/12/43/1013571243.db2.gz ZYCJLYCDUQLHSB-UHFFFAOYSA-N 2 1 404.555 3.922 20 5 HHBDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000110914783 969740444 /nfs/dbraw/zinc/74/04/44/969740444.db2.gz KDOCRSPZIIPMQP-UHFFFAOYSA-N 2 1 411.502 3.805 20 5 HHBDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236870748 970183379 /nfs/dbraw/zinc/18/33/79/970183379.db2.gz FVEDBLWQRCQKEA-SFHVURJKSA-N 2 1 405.502 3.879 20 5 HHBDMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000236941123 970192136 /nfs/dbraw/zinc/19/21/36/970192136.db2.gz NNEUHNGEOTXZNW-UHFFFAOYSA-N 2 1 402.564 3.831 20 5 HHBDMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000236973374 970197999 /nfs/dbraw/zinc/19/79/99/970197999.db2.gz VHSOUJNPVNOBNX-UHFFFAOYSA-N 2 1 412.515 3.949 20 5 HHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443601283 985777698 /nfs/dbraw/zinc/77/76/98/985777698.db2.gz MVPVHGSPVNMVJE-QGZVFWFLSA-N 2 1 418.538 3.518 20 5 HHBDMP Cc1c(NC(=O)CC[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000464837838 989081900 /nfs/dbraw/zinc/08/19/00/989081900.db2.gz VEKCFIRQSKZNJS-HXUWFJFHSA-N 2 1 410.518 3.686 20 5 HHBDMP Cc1c(NC(=O)CC[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000464837838 989081911 /nfs/dbraw/zinc/08/19/11/989081911.db2.gz VEKCFIRQSKZNJS-HXUWFJFHSA-N 2 1 410.518 3.686 20 5 HHBDMP Cc1c(NC(=O)CC[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000464837838 989081919 /nfs/dbraw/zinc/08/19/19/989081919.db2.gz VEKCFIRQSKZNJS-HXUWFJFHSA-N 2 1 410.518 3.686 20 5 HHBDMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000467171317 992490312 /nfs/dbraw/zinc/49/03/12/992490312.db2.gz SZWQCPXSBBCULA-INIZCTEOSA-N 2 1 417.510 3.529 20 5 HHBDMP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000475219868 996004972 /nfs/dbraw/zinc/00/49/72/996004972.db2.gz LVPZVKOIHUNALW-LJQANCHMSA-N 2 1 405.502 3.607 20 5 HHBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495368873 1000986750 /nfs/dbraw/zinc/98/67/50/1000986750.db2.gz LMKINPASAIMPBF-QWFCFKBJSA-N 2 1 410.518 3.812 20 5 HHBDMP O=C(CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500119135 1003480569 /nfs/dbraw/zinc/48/05/69/1003480569.db2.gz VITAERLEXOTQIG-UNMCSNQZSA-N 2 1 422.529 3.910 20 5 HHBDMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500119135 1003480575 /nfs/dbraw/zinc/48/05/75/1003480575.db2.gz VITAERLEXOTQIG-UNMCSNQZSA-N 2 1 422.529 3.910 20 5 HHBDMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500119135 1003480578 /nfs/dbraw/zinc/48/05/78/1003480578.db2.gz VITAERLEXOTQIG-UNMCSNQZSA-N 2 1 422.529 3.910 20 5 HHBDMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000513741476 1005105117 /nfs/dbraw/zinc/10/51/17/1005105117.db2.gz NTOVNYGXANXFJB-UHFFFAOYSA-N 2 1 413.518 3.956 20 5 HHBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534228444 1006227164 /nfs/dbraw/zinc/22/71/64/1006227164.db2.gz PZVCRUCYVQLHAG-IBGZPJMESA-N 2 1 422.529 3.910 20 5 HHBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534228444 1006227166 /nfs/dbraw/zinc/22/71/66/1006227166.db2.gz PZVCRUCYVQLHAG-IBGZPJMESA-N 2 1 422.529 3.910 20 5 HHBDMP COc1ccc(OCC[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000536724772 1011897053 /nfs/dbraw/zinc/89/70/53/1011897053.db2.gz STKYCMLOVCVJSL-UHFFFAOYSA-N 2 1 414.506 3.616 20 5 HHBDMP C[NH+](C)/C=C\c1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC001164626007 719096726 /nfs/dbraw/zinc/09/67/26/719096726.db2.gz HWKPKRFNTXTCKP-XXWPHYOCSA-N 2 1 407.518 3.623 20 5 HHBDMP C[NH+](C)/C=C\c1cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC001164626007 719096735 /nfs/dbraw/zinc/09/67/35/719096735.db2.gz HWKPKRFNTXTCKP-XXWPHYOCSA-N 2 1 407.518 3.623 20 5 HHBDMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1)CC(C)C ZINC000537995325 1013570293 /nfs/dbraw/zinc/57/02/93/1013570293.db2.gz NHXURIAXDUCCHB-UHFFFAOYSA-N 2 1 404.555 3.922 20 5 HHBDMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1)CC(C)C ZINC000537995325 1013570298 /nfs/dbraw/zinc/57/02/98/1013570298.db2.gz NHXURIAXDUCCHB-UHFFFAOYSA-N 2 1 404.555 3.922 20 5 HHBDMP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237443371 970289312 /nfs/dbraw/zinc/28/93/12/970289312.db2.gz XVBIXJOJKBZVFM-IBGZPJMESA-N 2 1 411.502 3.756 20 5 HHBDMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1(C)C ZINC000441351341 984201809 /nfs/dbraw/zinc/20/18/09/984201809.db2.gz CVUJMLBWPQRAKB-UHFFFAOYSA-N 2 1 406.914 3.624 20 5 HHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443601282 985777359 /nfs/dbraw/zinc/77/73/59/985777359.db2.gz MVPVHGSPVNMVJE-KRWDZBQOSA-N 2 1 418.538 3.518 20 5 HHBDMP Cc1c(NC(=O)CC[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000464837837 989081300 /nfs/dbraw/zinc/08/13/00/989081300.db2.gz VEKCFIRQSKZNJS-FQEVSTJZSA-N 2 1 410.518 3.686 20 5 HHBDMP Cc1c(NC(=O)CC[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000464837837 989081305 /nfs/dbraw/zinc/08/13/05/989081305.db2.gz VEKCFIRQSKZNJS-FQEVSTJZSA-N 2 1 410.518 3.686 20 5 HHBDMP Cc1c(NC(=O)CC[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000464837837 989081314 /nfs/dbraw/zinc/08/13/14/989081314.db2.gz VEKCFIRQSKZNJS-FQEVSTJZSA-N 2 1 410.518 3.686 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843131 989090136 /nfs/dbraw/zinc/09/01/36/989090136.db2.gz QKCSZKJDTVEIKY-HXUWFJFHSA-N 2 1 410.518 3.686 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843131 989090148 /nfs/dbraw/zinc/09/01/48/989090148.db2.gz QKCSZKJDTVEIKY-HXUWFJFHSA-N 2 1 410.518 3.686 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843131 989090161 /nfs/dbraw/zinc/09/01/61/989090161.db2.gz QKCSZKJDTVEIKY-HXUWFJFHSA-N 2 1 410.518 3.686 20 5 HHBDMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000482263113 995241209 /nfs/dbraw/zinc/24/12/09/995241209.db2.gz LFTLOTGJTBGWHZ-GOSISDBHSA-N 2 1 413.518 3.935 20 5 HHBDMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000482633471 995627139 /nfs/dbraw/zinc/62/71/39/995627139.db2.gz QQVMCJGWVBETBG-IRLDBZIGSA-N 2 1 410.518 3.533 20 5 HHBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506475688 1001429853 /nfs/dbraw/zinc/42/98/53/1001429853.db2.gz YIGJASHWVZFMMQ-ZWKOTPCHSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506475688 1001429856 /nfs/dbraw/zinc/42/98/56/1001429856.db2.gz YIGJASHWVZFMMQ-ZWKOTPCHSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506475688 1001429859 /nfs/dbraw/zinc/42/98/59/1001429859.db2.gz YIGJASHWVZFMMQ-ZWKOTPCHSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506475688 1001429861 /nfs/dbraw/zinc/42/98/61/1001429861.db2.gz YIGJASHWVZFMMQ-ZWKOTPCHSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1ccc(CN(C)C[C@H]2CCC[N@@H+](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508554704 1003026652 /nfs/dbraw/zinc/02/66/52/1003026652.db2.gz WEUVTUWMFDUBCO-FQEVSTJZSA-N 2 1 413.518 3.956 20 5 HHBDMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508554704 1003026693 /nfs/dbraw/zinc/02/66/93/1003026693.db2.gz WEUVTUWMFDUBCO-FQEVSTJZSA-N 2 1 413.518 3.956 20 5 HHBDMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508554704 1003026712 /nfs/dbraw/zinc/02/67/12/1003026712.db2.gz WEUVTUWMFDUBCO-FQEVSTJZSA-N 2 1 413.518 3.956 20 5 HHBDMP C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000500978225 1004091206 /nfs/dbraw/zinc/09/12/06/1004091206.db2.gz MTNRSGOOGOMISI-UHFFFAOYSA-N 2 1 411.506 3.557 20 5 HHBDMP Cc1c(NC(=O)CC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cccc1[N+](=O)[O-] ZINC000512292938 1004195917 /nfs/dbraw/zinc/19/59/17/1004195917.db2.gz RBSKEPRJQLSIBO-XMMPIXPASA-N 2 1 422.529 3.830 20 5 HHBDMP Cc1c(NC(=O)CC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cccc1[N+](=O)[O-] ZINC000512292938 1004195922 /nfs/dbraw/zinc/19/59/22/1004195922.db2.gz RBSKEPRJQLSIBO-XMMPIXPASA-N 2 1 422.529 3.830 20 5 HHBDMP Cc1c(NC(=O)CC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cccc1[N+](=O)[O-] ZINC000512292938 1004195926 /nfs/dbraw/zinc/19/59/26/1004195926.db2.gz RBSKEPRJQLSIBO-XMMPIXPASA-N 2 1 422.529 3.830 20 5 HHBDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)CC1 ZINC000513466957 1004979355 /nfs/dbraw/zinc/97/93/55/1004979355.db2.gz NHYPDGVKPASKTH-LJQANCHMSA-N 2 1 400.548 3.535 20 5 HHBDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000515519788 1006511655 /nfs/dbraw/zinc/51/16/55/1006511655.db2.gz YPJKVKOHKWADKM-QZTJIDSGSA-N 2 1 410.518 3.944 20 5 HHBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532187464 1006706697 /nfs/dbraw/zinc/70/66/97/1006706697.db2.gz SMIIOIIJNMJQPS-XLIONFOSSA-N 2 1 402.564 3.556 20 5 HHBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534967714 1007021831 /nfs/dbraw/zinc/02/18/31/1007021831.db2.gz YUSFNNUUBGYHHH-LJQANCHMSA-N 2 1 422.529 3.910 20 5 HHBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534967714 1007021842 /nfs/dbraw/zinc/02/18/42/1007021842.db2.gz YUSFNNUUBGYHHH-LJQANCHMSA-N 2 1 422.529 3.910 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000532938830 1007310352 /nfs/dbraw/zinc/31/03/52/1007310352.db2.gz SXCANWODDYUMOE-LJQANCHMSA-N 2 1 402.539 3.676 20 5 HHBDMP CC(C)c1ccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000550886348 1010241753 /nfs/dbraw/zinc/24/17/53/1010241753.db2.gz MITMPDXQJBJZQH-HXUWFJFHSA-N 2 1 402.564 3.858 20 5 HHBDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000521838917 1010651568 /nfs/dbraw/zinc/65/15/68/1010651568.db2.gz LUQNJVLMMXKWIY-WZONZLPQSA-N 2 1 422.529 3.722 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000573965311 1074744808 /nfs/dbraw/zinc/74/48/08/1074744808.db2.gz NXWPYKUVZWAMBC-LEWJYISDSA-N 2 1 422.529 3.686 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000573965311 1074744825 /nfs/dbraw/zinc/74/48/25/1074744825.db2.gz NXWPYKUVZWAMBC-LEWJYISDSA-N 2 1 422.529 3.686 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000573965311 1074744836 /nfs/dbraw/zinc/74/48/36/1074744836.db2.gz NXWPYKUVZWAMBC-LEWJYISDSA-N 2 1 422.529 3.686 20 5 HHBDMP COc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000537698783 1013264213 /nfs/dbraw/zinc/26/42/13/1013264213.db2.gz XTPFKLAMUKFXON-YIFZBPKDSA-N 2 1 415.490 3.547 20 5 HHBDMP COc1ccc(-c2ccc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000537698783 1013264217 /nfs/dbraw/zinc/26/42/17/1013264217.db2.gz XTPFKLAMUKFXON-YIFZBPKDSA-N 2 1 415.490 3.547 20 5 HHBDMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1)CC1CC1 ZINC000537845906 1013410487 /nfs/dbraw/zinc/41/04/87/1013410487.db2.gz HPZZFUNNOTVTMB-UHFFFAOYSA-N 2 1 402.539 3.676 20 5 HHBDMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1)CC1CC1 ZINC000537845906 1013410500 /nfs/dbraw/zinc/41/05/00/1013410500.db2.gz HPZZFUNNOTVTMB-UHFFFAOYSA-N 2 1 402.539 3.676 20 5 HHBDMP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1)CC1CC1 ZINC000537847612 1013412866 /nfs/dbraw/zinc/41/28/66/1013412866.db2.gz UKNDXZPZDDBPGC-QGZVFWFLSA-N 2 1 402.539 3.756 20 5 HHBDMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1)CC1CC1 ZINC000537847612 1013412870 /nfs/dbraw/zinc/41/28/70/1013412870.db2.gz UKNDXZPZDDBPGC-QGZVFWFLSA-N 2 1 402.539 3.756 20 5 HHBDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000110797690 969724771 /nfs/dbraw/zinc/72/47/71/969724771.db2.gz SPCJYWGRHITHDC-UHFFFAOYSA-N 2 1 410.518 3.767 20 5 HHBDMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000237172427 970235215 /nfs/dbraw/zinc/23/52/15/970235215.db2.gz QVYYPMHNOXUYNO-UHFFFAOYSA-N 2 1 416.497 3.643 20 5 HHBDMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000430124622 977332454 /nfs/dbraw/zinc/33/24/54/977332454.db2.gz AUPAXXBOOMVMRV-XMMPIXPASA-N 2 1 417.513 3.975 20 5 HHBDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000430124622 977332461 /nfs/dbraw/zinc/33/24/61/977332461.db2.gz AUPAXXBOOMVMRV-XMMPIXPASA-N 2 1 417.513 3.975 20 5 HHBDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000430124622 977332467 /nfs/dbraw/zinc/33/24/67/977332467.db2.gz AUPAXXBOOMVMRV-XMMPIXPASA-N 2 1 417.513 3.975 20 5 HHBDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000430124622 977332474 /nfs/dbraw/zinc/33/24/74/977332474.db2.gz AUPAXXBOOMVMRV-XMMPIXPASA-N 2 1 417.513 3.975 20 5 HHBDMP O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)nc2c1 ZINC000433127411 979087263 /nfs/dbraw/zinc/08/72/63/979087263.db2.gz SLGYHHYOUCLROH-UHFFFAOYSA-N 2 1 405.502 3.959 20 5 HHBDMP O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)nc2c1 ZINC000433127411 979087270 /nfs/dbraw/zinc/08/72/70/979087270.db2.gz SLGYHHYOUCLROH-UHFFFAOYSA-N 2 1 405.502 3.959 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433215432 979149042 /nfs/dbraw/zinc/14/90/42/979149042.db2.gz YKJBJUFGTNPFLP-UHFFFAOYSA-N 2 1 422.529 3.830 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433215432 979149046 /nfs/dbraw/zinc/14/90/46/979149046.db2.gz YKJBJUFGTNPFLP-UHFFFAOYSA-N 2 1 422.529 3.830 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481180254 994010400 /nfs/dbraw/zinc/01/04/00/994010400.db2.gz KLQZKCRBBIXTFB-GHTZIAJQSA-N 2 1 410.518 3.732 20 5 HHBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481190868 994023201 /nfs/dbraw/zinc/02/32/01/994023201.db2.gz PNVGGRCTIHZRIE-CRAIPNDOSA-N 2 1 416.909 3.687 20 5 HHBDMP CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000504930366 1000454891 /nfs/dbraw/zinc/45/48/91/1000454891.db2.gz PPTDDJDKLHQRIB-GOSISDBHSA-N 2 1 412.534 3.592 20 5 HHBDMP O=C(CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000501019395 1004121505 /nfs/dbraw/zinc/12/15/05/1004121505.db2.gz DBHNDTBDXVGFNU-UHFFFAOYSA-N 2 1 422.529 3.912 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000510233500 1004413148 /nfs/dbraw/zinc/41/31/48/1004413148.db2.gz LXLDLOVLZFSIFD-UHFFFAOYSA-N 2 1 410.518 3.828 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000510233500 1004413151 /nfs/dbraw/zinc/41/31/51/1004413151.db2.gz LXLDLOVLZFSIFD-UHFFFAOYSA-N 2 1 410.518 3.828 20 5 HHBDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000515519787 1006510950 /nfs/dbraw/zinc/51/09/50/1006510950.db2.gz YPJKVKOHKWADKM-MSOLQXFVSA-N 2 1 410.518 3.944 20 5 HHBDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000515519790 1006511130 /nfs/dbraw/zinc/51/11/30/1006511130.db2.gz YPJKVKOHKWADKM-ZWKOTPCHSA-N 2 1 410.518 3.944 20 5 HHBDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000517557739 1007768876 /nfs/dbraw/zinc/76/88/76/1007768876.db2.gz TUOGPDSBRADVJY-WZONZLPQSA-N 2 1 422.529 3.864 20 5 HHBDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544422572 1010042846 /nfs/dbraw/zinc/04/28/46/1010042846.db2.gz YKGYHIYIZLSJGQ-QLFBSQMISA-N 2 1 408.930 3.818 20 5 HHBDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544422572 1010042860 /nfs/dbraw/zinc/04/28/60/1010042860.db2.gz YKGYHIYIZLSJGQ-QLFBSQMISA-N 2 1 408.930 3.818 20 5 HHBDMP CC[NH+](CC)CCCC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000541088799 1011732553 /nfs/dbraw/zinc/73/25/53/1011732553.db2.gz HQZVEQVNOPSXPT-UHFFFAOYSA-N 2 1 401.511 3.979 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000303670976 971949147 /nfs/dbraw/zinc/94/91/47/971949147.db2.gz GKCDTQLDEMLCHF-IBGZPJMESA-N 2 1 402.539 3.676 20 5 HHBDMP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1)CC1CC1 ZINC000537849712 1013416584 /nfs/dbraw/zinc/41/65/84/1013416584.db2.gz OMNYGSRQLBPVHR-KRWDZBQOSA-N 2 1 402.539 3.756 20 5 HHBDMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1)CC1CC1 ZINC000537849712 1013416588 /nfs/dbraw/zinc/41/65/88/1013416588.db2.gz OMNYGSRQLBPVHR-KRWDZBQOSA-N 2 1 402.539 3.756 20 5 HHBDMP Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000052713773 964960028 /nfs/dbraw/zinc/96/00/28/964960028.db2.gz CVGJCIMMTHEWLG-GOSISDBHSA-N 2 1 402.539 3.818 20 5 HHBDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237075993 970218275 /nfs/dbraw/zinc/21/82/75/970218275.db2.gz KKDHUINZAKGQHZ-GOSISDBHSA-N 2 1 405.502 3.879 20 5 HHBDMP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1ccccc1[N+](=O)[O-] ZINC000433188468 979128965 /nfs/dbraw/zinc/12/89/65/979128965.db2.gz ACQXBMYSCUXWFW-UHFFFAOYSA-N 2 1 408.502 3.521 20 5 HHBDMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1ccccc1[N+](=O)[O-] ZINC000433188468 979128969 /nfs/dbraw/zinc/12/89/69/979128969.db2.gz ACQXBMYSCUXWFW-UHFFFAOYSA-N 2 1 408.502 3.521 20 5 HHBDMP Cc1c(NC(=O)CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cccc1[N+](=O)[O-] ZINC000434682849 980337008 /nfs/dbraw/zinc/33/70/08/980337008.db2.gz BGCOGTBIWKTIHP-UHFFFAOYSA-N 2 1 411.506 3.644 20 5 HHBDMP Cn1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435058912 980603824 /nfs/dbraw/zinc/60/38/24/980603824.db2.gz GFKAXJJATNDJBY-UHFFFAOYSA-N 2 1 420.517 3.908 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469790843 987435276 /nfs/dbraw/zinc/43/52/76/987435276.db2.gz MDEFIKYFHJHBNW-CYGODWOOSA-N 2 1 410.518 3.588 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000469790843 987435281 /nfs/dbraw/zinc/43/52/81/987435281.db2.gz MDEFIKYFHJHBNW-CYGODWOOSA-N 2 1 410.518 3.588 20 5 HHBDMP CCOc1cc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000492628243 1000135955 /nfs/dbraw/zinc/13/59/55/1000135955.db2.gz GMJASIWSQFIMRK-HDICACEKSA-N 2 1 405.539 3.705 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506480148 1001431708 /nfs/dbraw/zinc/43/17/08/1001431708.db2.gz KUCPPCQIZFPWEQ-MOPGFXCFSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506480148 1001431712 /nfs/dbraw/zinc/43/17/12/1001431712.db2.gz KUCPPCQIZFPWEQ-MOPGFXCFSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506480148 1001431717 /nfs/dbraw/zinc/43/17/17/1001431717.db2.gz KUCPPCQIZFPWEQ-MOPGFXCFSA-N 2 1 402.539 3.818 20 5 HHBDMP CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512278892 1004179854 /nfs/dbraw/zinc/17/98/54/1004179854.db2.gz DYFVVFZGRQGDRW-UHFFFAOYSA-N 2 1 413.522 3.761 20 5 HHBDMP CCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512278892 1004179862 /nfs/dbraw/zinc/17/98/62/1004179862.db2.gz DYFVVFZGRQGDRW-UHFFFAOYSA-N 2 1 413.522 3.761 20 5 HHBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000533413877 1007721623 /nfs/dbraw/zinc/72/16/23/1007721623.db2.gz UXZLVCQNTSMTRT-SFHVURJKSA-N 2 1 410.518 3.766 20 5 HHBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000533413877 1007721633 /nfs/dbraw/zinc/72/16/33/1007721633.db2.gz UXZLVCQNTSMTRT-SFHVURJKSA-N 2 1 410.518 3.766 20 5 HHBDMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000517901360 1008046212 /nfs/dbraw/zinc/04/62/12/1008046212.db2.gz ZLMQLMXGULAQQK-ROUUACIJSA-N 2 1 405.539 3.703 20 5 HHBDMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000517901358 1008046278 /nfs/dbraw/zinc/04/62/78/1008046278.db2.gz ZLMQLMXGULAQQK-HDICACEKSA-N 2 1 405.539 3.703 20 5 HHBDMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000517901358 1008046287 /nfs/dbraw/zinc/04/62/87/1008046287.db2.gz ZLMQLMXGULAQQK-HDICACEKSA-N 2 1 405.539 3.703 20 5 HHBDMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000540590517 1011245749 /nfs/dbraw/zinc/24/57/49/1011245749.db2.gz IPGNTBYHUSVSJP-HXUWFJFHSA-N 2 1 424.545 3.597 20 5 HHBDMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000540590517 1011245761 /nfs/dbraw/zinc/24/57/61/1011245761.db2.gz IPGNTBYHUSVSJP-HXUWFJFHSA-N 2 1 424.545 3.597 20 5 HHBDMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)C[C@@H](C)O1 ZINC000536366857 1011575016 /nfs/dbraw/zinc/57/50/16/1011575016.db2.gz BBRDMLRSDJRALX-IAGOWNOFSA-N 2 1 414.506 3.571 20 5 HHBDMP C[N@@H+]1CC=C(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000537343665 1012806790 /nfs/dbraw/zinc/80/67/90/1012806790.db2.gz LXKOJMZQYNVHLL-UHFFFAOYSA-N 2 1 403.486 3.799 20 5 HHBDMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000542840354 1013702108 /nfs/dbraw/zinc/70/21/08/1013702108.db2.gz MCHOKIAYPXISRU-SFHVURJKSA-N 2 1 405.502 3.831 20 5 HHBDMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000542840354 1013702113 /nfs/dbraw/zinc/70/21/13/1013702113.db2.gz MCHOKIAYPXISRU-SFHVURJKSA-N 2 1 405.502 3.831 20 5 HHBDMP CC[NH+](CC)CCCC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000542944812 1013777501 /nfs/dbraw/zinc/77/75/01/1013777501.db2.gz BXBWAWCXIRYJHU-UHFFFAOYSA-N 2 1 401.511 3.979 20 5 HHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000538269206 1013809831 /nfs/dbraw/zinc/80/98/31/1013809831.db2.gz VPOMLQOEZVRNBT-LSDHHAIUSA-N 2 1 423.473 3.775 20 5 HHBDMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439601009 983466668 /nfs/dbraw/zinc/46/66/68/983466668.db2.gz ZHBFFAIRLFUEDF-QGZVFWFLSA-N 2 1 422.485 3.937 20 5 HHBDMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1(C)C ZINC000441368968 984212999 /nfs/dbraw/zinc/21/29/99/984212999.db2.gz LRCIDSKARXXDPF-UHFFFAOYSA-N 2 1 416.497 3.642 20 5 HHBDMP CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000470149527 988057710 /nfs/dbraw/zinc/05/77/10/988057710.db2.gz ATPGCGZTZUZZOM-WOJBJXKFSA-N 2 1 421.517 3.535 20 5 HHBDMP C[C@@H]1CCCC[N@H+]1CCC1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000478053703 998738478 /nfs/dbraw/zinc/73/84/78/998738478.db2.gz MUSOTOCRXMMJRR-GOSISDBHSA-N 2 1 402.539 3.534 20 5 HHBDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000478053703 998738490 /nfs/dbraw/zinc/73/84/90/998738490.db2.gz MUSOTOCRXMMJRR-GOSISDBHSA-N 2 1 402.539 3.534 20 5 HHBDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000478053703 998738492 /nfs/dbraw/zinc/73/84/92/998738492.db2.gz MUSOTOCRXMMJRR-GOSISDBHSA-N 2 1 402.539 3.534 20 5 HHBDMP Cc1c(NC(=O)CC[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000510233647 1004413428 /nfs/dbraw/zinc/41/34/28/1004413428.db2.gz OBKWYGIZGKCSGO-UHFFFAOYSA-N 2 1 410.518 3.828 20 5 HHBDMP Cc1c(NC(=O)CC[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000510233647 1004413430 /nfs/dbraw/zinc/41/34/30/1004413430.db2.gz OBKWYGIZGKCSGO-UHFFFAOYSA-N 2 1 410.518 3.828 20 5 HHBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000513828933 1005148961 /nfs/dbraw/zinc/14/89/61/1005148961.db2.gz SHSHNBZWMMVVPO-BGWNEDDSSA-N 2 1 409.530 3.533 20 5 HHBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000513828933 1005148963 /nfs/dbraw/zinc/14/89/63/1005148963.db2.gz SHSHNBZWMMVVPO-BGWNEDDSSA-N 2 1 409.530 3.533 20 5 HHBDMP CN(c1ccccc1)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000531759122 1006402324 /nfs/dbraw/zinc/40/23/24/1006402324.db2.gz GPASCISOVBWISD-UPVQGACJSA-N 2 1 424.545 3.830 20 5 HHBDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000532419637 1006865443 /nfs/dbraw/zinc/86/54/43/1006865443.db2.gz VPCQWIQCUQJLGP-KRWDZBQOSA-N 2 1 403.523 3.938 20 5 HHBDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000532419637 1006865456 /nfs/dbraw/zinc/86/54/56/1006865456.db2.gz VPCQWIQCUQJLGP-KRWDZBQOSA-N 2 1 403.523 3.938 20 5 HHBDMP C[NH+]1CCN([C@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c2cccs2)CC1 ZINC000532441747 1006884778 /nfs/dbraw/zinc/88/47/78/1006884778.db2.gz IFXBTTSGZJOVAX-PZJWPPBQSA-N 2 1 414.575 3.556 20 5 HHBDMP CCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533057836 1007420361 /nfs/dbraw/zinc/42/03/61/1007420361.db2.gz VUFYVZATLYHHOM-UHFFFAOYSA-N 2 1 413.522 3.891 20 5 HHBDMP CCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533057836 1007420366 /nfs/dbraw/zinc/42/03/66/1007420366.db2.gz VUFYVZATLYHHOM-UHFFFAOYSA-N 2 1 413.522 3.891 20 5 HHBDMP C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540044123 1008253275 /nfs/dbraw/zinc/25/32/75/1008253275.db2.gz RCEFLRPMFAMSLH-UHFFFAOYSA-N 2 1 411.506 3.557 20 5 HHBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540046227 1008255708 /nfs/dbraw/zinc/25/57/08/1008255708.db2.gz YDYRJJQWUQVKTD-QGZVFWFLSA-N 2 1 411.506 3.555 20 5 HHBDMP CC[N@@H+](CCC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1)CC1CC1 ZINC000540049839 1008258944 /nfs/dbraw/zinc/25/89/44/1008258944.db2.gz JGELVLJUKRDBNY-QFIPXVFZSA-N 2 1 414.550 3.534 20 5 HHBDMP C[NH+](C)/C=C/c1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC001164626002 719095998 /nfs/dbraw/zinc/09/59/98/719095998.db2.gz HWKPKRFNTXTCKP-JULKJZNHSA-N 2 1 407.518 3.623 20 5 HHBDMP C[NH+](C)/C=C/c1cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC001164626002 719096008 /nfs/dbraw/zinc/09/60/08/719096008.db2.gz HWKPKRFNTXTCKP-JULKJZNHSA-N 2 1 407.518 3.623 20 5 HHBDMP Cc1cc(N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302404185 971233774 /nfs/dbraw/zinc/23/37/74/971233774.db2.gz FLXMZODRURFTOY-QHCPKHFHSA-N 2 1 406.486 3.525 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000303546474 971845903 /nfs/dbraw/zinc/84/59/03/971845903.db2.gz GUZACXGXQMWKKM-MOPGFXCFSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000303546474 971845907 /nfs/dbraw/zinc/84/59/07/971845907.db2.gz GUZACXGXQMWKKM-MOPGFXCFSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000303546474 971845911 /nfs/dbraw/zinc/84/59/11/971845911.db2.gz GUZACXGXQMWKKM-MOPGFXCFSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000303546474 971845914 /nfs/dbraw/zinc/84/59/14/971845914.db2.gz GUZACXGXQMWKKM-MOPGFXCFSA-N 2 1 402.539 3.818 20 5 HHBDMP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000303583841 971876340 /nfs/dbraw/zinc/87/63/40/971876340.db2.gz KWZWHAFFMLPYOS-MSOLQXFVSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000303583841 971876344 /nfs/dbraw/zinc/87/63/44/971876344.db2.gz KWZWHAFFMLPYOS-MSOLQXFVSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1ccc(NC(=O)CC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000303583841 971876347 /nfs/dbraw/zinc/87/63/47/971876347.db2.gz KWZWHAFFMLPYOS-MSOLQXFVSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1ccc(NC(=O)CC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000303583841 971876349 /nfs/dbraw/zinc/87/63/49/971876349.db2.gz KWZWHAFFMLPYOS-MSOLQXFVSA-N 2 1 418.538 3.518 20 5 HHBDMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000237165050 970234374 /nfs/dbraw/zinc/23/43/74/970234374.db2.gz MSPHGDJJYQQWEQ-UHFFFAOYSA-N 2 1 402.564 3.687 20 5 HHBDMP COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237337941 970266347 /nfs/dbraw/zinc/26/63/47/970266347.db2.gz FVRUSCCJXPFRGP-GOOCMWNKSA-N 2 1 417.428 3.649 20 5 HHBDMP COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237337941 970266354 /nfs/dbraw/zinc/26/63/54/970266354.db2.gz FVRUSCCJXPFRGP-GOOCMWNKSA-N 2 1 417.428 3.649 20 5 HHBDMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000442872136 985253608 /nfs/dbraw/zinc/25/36/08/985253608.db2.gz JFWGWYILBRPJFZ-INIZCTEOSA-N 2 1 402.564 4.000 20 5 HHBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000470176097 988092640 /nfs/dbraw/zinc/09/26/40/988092640.db2.gz IHZBLPBPSBRUBN-FXBPSFAMSA-N 2 1 408.546 3.748 20 5 HHBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000470176097 988092651 /nfs/dbraw/zinc/09/26/51/988092651.db2.gz IHZBLPBPSBRUBN-FXBPSFAMSA-N 2 1 408.546 3.748 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481188954 994021021 /nfs/dbraw/zinc/02/10/21/994021021.db2.gz LMCLARCKMSEVIV-WIYYLYMNSA-N 2 1 410.518 3.732 20 5 HHBDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)c2)CCO1 ZINC000481562660 994397714 /nfs/dbraw/zinc/39/77/14/994397714.db2.gz CNEMUYQVYHOCML-FDDCHVKYSA-N 2 1 409.530 3.926 20 5 HHBDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)c2)CCO1 ZINC000481562660 994397722 /nfs/dbraw/zinc/39/77/22/994397722.db2.gz CNEMUYQVYHOCML-FDDCHVKYSA-N 2 1 409.530 3.926 20 5 HHBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506475687 1001429890 /nfs/dbraw/zinc/42/98/90/1001429890.db2.gz YIGJASHWVZFMMQ-ROUUACIJSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506475687 1001429891 /nfs/dbraw/zinc/42/98/91/1001429891.db2.gz YIGJASHWVZFMMQ-ROUUACIJSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506475687 1001429892 /nfs/dbraw/zinc/42/98/92/1001429892.db2.gz YIGJASHWVZFMMQ-ROUUACIJSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506475687 1001429893 /nfs/dbraw/zinc/42/98/93/1001429893.db2.gz YIGJASHWVZFMMQ-ROUUACIJSA-N 2 1 418.538 3.518 20 5 HHBDMP Cc1cc(N2CCC([NH2+]Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)nc(C)[nH+]1 ZINC000531403547 1006175801 /nfs/dbraw/zinc/17/58/01/1006175801.db2.gz TUZSTZJQSCQZEP-UHFFFAOYSA-N 2 1 424.530 3.884 20 5 HHBDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)CC1 ZINC000538762681 1007047632 /nfs/dbraw/zinc/04/76/32/1007047632.db2.gz CNCIYUNBSQARPO-HXUWFJFHSA-N 2 1 414.575 3.924 20 5 HHBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000532950468 1007320315 /nfs/dbraw/zinc/32/03/15/1007320315.db2.gz MEPCZPPWVXLBAM-SFHVURJKSA-N 2 1 418.538 3.520 20 5 HHBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000532950468 1007320328 /nfs/dbraw/zinc/32/03/28/1007320328.db2.gz MEPCZPPWVXLBAM-SFHVURJKSA-N 2 1 418.538 3.520 20 5 HHBDMP C[NH+]1CCN(CCCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000539442969 1007754211 /nfs/dbraw/zinc/75/42/11/1007754211.db2.gz GIDGCHROSYRNGM-UHFFFAOYSA-N 2 1 406.914 3.625 20 5 HHBDMP CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000543775196 1009343754 /nfs/dbraw/zinc/34/37/54/1009343754.db2.gz BBAYEZBEVXSJTJ-UTKZUKDTSA-N 2 1 413.518 3.801 20 5 HHBDMP CCOc1ccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000536626123 1011781480 /nfs/dbraw/zinc/78/14/80/1011781480.db2.gz FEUFVRQQSLLFFD-LPHOPBHVSA-N 2 1 418.563 3.694 20 5 HHBDMP CCOc1ccc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000536626124 1011781690 /nfs/dbraw/zinc/78/16/90/1011781690.db2.gz FEUFVRQQSLLFFD-QFBILLFUSA-N 2 1 418.563 3.694 20 5 HHBDMP CN(c1ccccc1)c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000524067497 1012827908 /nfs/dbraw/zinc/82/79/08/1012827908.db2.gz VFOZBLTVMNHQIM-HXUWFJFHSA-N 2 1 424.545 3.953 20 5 HHBDMP C[NH+](C)/C=C/c1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ncc1[N+](=O)[O-] ZINC001164625998 719096155 /nfs/dbraw/zinc/09/61/55/719096155.db2.gz HWKPKRFNTXTCKP-GCWDSMLCSA-N 2 1 407.518 3.623 20 5 HHBDMP C[NH+](C)/C=C/c1cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ncc1[N+](=O)[O-] ZINC001164625998 719096159 /nfs/dbraw/zinc/09/61/59/719096159.db2.gz HWKPKRFNTXTCKP-GCWDSMLCSA-N 2 1 407.518 3.623 20 5 HHBDMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)CC1 ZINC000537658993 1013219235 /nfs/dbraw/zinc/21/92/35/1013219235.db2.gz FJJNPEABCZTCBF-UHFFFAOYSA-N 2 1 412.534 3.845 20 5 HHBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843389 1013405364 /nfs/dbraw/zinc/40/53/64/1013405364.db2.gz QENYXIMYNWTBFX-KRWDZBQOSA-N 2 1 411.506 3.555 20 5 HHBDMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000236981003 970199106 /nfs/dbraw/zinc/19/91/06/970199106.db2.gz LXGGIFVIILGSNL-UHFFFAOYSA-N 2 1 412.515 3.949 20 5 HHBDMP Cn1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237751754 970354210 /nfs/dbraw/zinc/35/42/10/970354210.db2.gz ABMRELHJVYVPAU-UHFFFAOYSA-N 2 1 405.502 3.750 20 5 HHBDMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000538724085 1007002380 /nfs/dbraw/zinc/00/23/80/1007002380.db2.gz QWVQADXTUZXXQS-XLIONFOSSA-N 2 1 414.575 3.781 20 5 HHBDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000538751537 1007036213 /nfs/dbraw/zinc/03/62/13/1007036213.db2.gz XFBSMJFOIUHGJK-IBGZPJMESA-N 2 1 404.536 3.651 20 5 HHBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000538751537 1007036229 /nfs/dbraw/zinc/03/62/29/1007036229.db2.gz XFBSMJFOIUHGJK-IBGZPJMESA-N 2 1 404.536 3.651 20 5 HHBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000533413876 1007720839 /nfs/dbraw/zinc/72/08/39/1007720839.db2.gz UXZLVCQNTSMTRT-GOSISDBHSA-N 2 1 410.518 3.766 20 5 HHBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000533413876 1007720848 /nfs/dbraw/zinc/72/08/48/1007720848.db2.gz UXZLVCQNTSMTRT-GOSISDBHSA-N 2 1 410.518 3.766 20 5 HHBDMP CC[N@H+](CCC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1)CC1CC1 ZINC000540046594 1008256119 /nfs/dbraw/zinc/25/61/19/1008256119.db2.gz GXFOHDGEUCALAZ-UHFFFAOYSA-N 2 1 413.522 3.979 20 5 HHBDMP CC[N@@H+](CCC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1)CC1CC1 ZINC000540046594 1008256123 /nfs/dbraw/zinc/25/61/23/1008256123.db2.gz GXFOHDGEUCALAZ-UHFFFAOYSA-N 2 1 413.522 3.979 20 5 HHBDMP CC[N@@H+](CCC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1)CC1CC1 ZINC000540049601 1008258783 /nfs/dbraw/zinc/25/87/83/1008258783.db2.gz GODVVUDODTWYBC-UHFFFAOYSA-N 2 1 403.523 3.795 20 5 HHBDMP CCc1ccc([C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544357273 1009983304 /nfs/dbraw/zinc/98/33/04/1009983304.db2.gz IWAKYWGIJCSSOV-JPYJTQIMSA-N 2 1 414.550 3.703 20 5 HHBDMP CC[NH+](CC)CCOC1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000536350495 1011557434 /nfs/dbraw/zinc/55/74/34/1011557434.db2.gz WUONCVHWZHGBIR-UHFFFAOYSA-N 2 1 402.495 3.573 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000541770481 1012636426 /nfs/dbraw/zinc/63/64/26/1012636426.db2.gz DGAXMDIPFCEKFE-UHFFFAOYSA-N 2 1 413.518 3.683 20 5 HHBDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000542885129 1013732650 /nfs/dbraw/zinc/73/26/50/1013732650.db2.gz PFQPMNZBVXZWSH-YCRPNKLZSA-N 2 1 405.458 3.545 20 5 HHBDMP Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000112648744 969821112 /nfs/dbraw/zinc/82/11/12/969821112.db2.gz NRAMISXSUPIWMK-IBGZPJMESA-N 2 1 402.539 3.676 20 5 HHBDMP COc1ccc(OCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c([N+](=O)[O-])c1 ZINC000554842492 1014071558 /nfs/dbraw/zinc/07/15/58/1014071558.db2.gz XFSBSGTUHYTFOF-QFIPXVFZSA-N 2 1 413.518 3.873 20 5 HHBDMP COc1ccc(OCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c([N+](=O)[O-])c1 ZINC000554842492 1014071562 /nfs/dbraw/zinc/07/15/62/1014071562.db2.gz XFSBSGTUHYTFOF-QFIPXVFZSA-N 2 1 413.518 3.873 20 5 HHBDMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430197658 977385986 /nfs/dbraw/zinc/38/59/86/977385986.db2.gz VWHLMUVXGSRXTI-MRXNPFEDSA-N 2 1 416.497 3.735 20 5 HHBDMP CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000430211083 977394370 /nfs/dbraw/zinc/39/43/70/977394370.db2.gz WVAJXTABCGNMBQ-UHFFFAOYSA-N 2 1 413.522 3.891 20 5 HHBDMP CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000430211083 977394378 /nfs/dbraw/zinc/39/43/78/977394378.db2.gz WVAJXTABCGNMBQ-UHFFFAOYSA-N 2 1 413.522 3.891 20 5 HHBDMP COc1ccc(OCC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430826619 977781566 /nfs/dbraw/zinc/78/15/66/977781566.db2.gz IHEWXUKBUDGDEF-AZUAARDMSA-N 2 1 413.518 3.967 20 5 HHBDMP COc1ccc(OCC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430826619 977781573 /nfs/dbraw/zinc/78/15/73/977781573.db2.gz IHEWXUKBUDGDEF-AZUAARDMSA-N 2 1 413.518 3.967 20 5 HHBDMP COc1ccc(OCC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430826619 977781586 /nfs/dbraw/zinc/78/15/86/977781586.db2.gz IHEWXUKBUDGDEF-AZUAARDMSA-N 2 1 413.518 3.967 20 5 HHBDMP COc1ccc(OCC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430826619 977781589 /nfs/dbraw/zinc/78/15/89/977781589.db2.gz IHEWXUKBUDGDEF-AZUAARDMSA-N 2 1 413.518 3.967 20 5 HHBDMP COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000443603915 985780893 /nfs/dbraw/zinc/78/08/93/985780893.db2.gz MYZOLHHUWZXPRT-KRWDZBQOSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508547102 1003021840 /nfs/dbraw/zinc/02/18/40/1003021840.db2.gz AGUDFXQZGPKJBO-FQEVSTJZSA-N 2 1 413.518 3.956 20 5 HHBDMP COc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508547102 1003021866 /nfs/dbraw/zinc/02/18/66/1003021866.db2.gz AGUDFXQZGPKJBO-FQEVSTJZSA-N 2 1 413.518 3.956 20 5 HHBDMP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508547102 1003021853 /nfs/dbraw/zinc/02/18/53/1003021853.db2.gz AGUDFXQZGPKJBO-FQEVSTJZSA-N 2 1 413.518 3.956 20 5 HHBDMP COc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508547102 1003021875 /nfs/dbraw/zinc/02/18/75/1003021875.db2.gz AGUDFXQZGPKJBO-FQEVSTJZSA-N 2 1 413.518 3.956 20 5 HHBDMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000500094999 1003456358 /nfs/dbraw/zinc/45/63/58/1003456358.db2.gz XEAKOYGVODPONO-AZUAARDMSA-N 2 1 410.518 3.908 20 5 HHBDMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000500094999 1003456361 /nfs/dbraw/zinc/45/63/61/1003456361.db2.gz XEAKOYGVODPONO-AZUAARDMSA-N 2 1 410.518 3.908 20 5 HHBDMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[NH+]1Cc1ccccc1 ZINC000500094999 1003456365 /nfs/dbraw/zinc/45/63/65/1003456365.db2.gz XEAKOYGVODPONO-AZUAARDMSA-N 2 1 410.518 3.908 20 5 HHBDMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[NH+]1Cc1ccccc1 ZINC000500094999 1003456371 /nfs/dbraw/zinc/45/63/71/1003456371.db2.gz XEAKOYGVODPONO-AZUAARDMSA-N 2 1 410.518 3.908 20 5 HHBDMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000531703889 1006366405 /nfs/dbraw/zinc/36/64/05/1006366405.db2.gz RSTFREMJIGVOLF-HZPDHXFCSA-N 2 1 416.547 3.561 20 5 HHBDMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000538724086 1007001782 /nfs/dbraw/zinc/00/17/82/1007001782.db2.gz QWVQADXTUZXXQS-YLJYHZDGSA-N 2 1 414.575 3.781 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000532938829 1007310278 /nfs/dbraw/zinc/31/02/78/1007310278.db2.gz SXCANWODDYUMOE-IBGZPJMESA-N 2 1 402.539 3.676 20 5 HHBDMP CCOc1cccc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC000545872443 1008961667 /nfs/dbraw/zinc/96/16/67/1008961667.db2.gz JHNUHQDNURFXJX-UHFFFAOYSA-N 2 1 404.555 3.626 20 5 HHBDMP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000543773491 1009342391 /nfs/dbraw/zinc/34/23/91/1009342391.db2.gz KBMXKONRMHOKDF-DHIUTWEWSA-N 2 1 409.530 3.662 20 5 HHBDMP C[C@H]1C[NH+](CC2CC[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)C[C@H](C)O1 ZINC000536366858 1011574811 /nfs/dbraw/zinc/57/48/11/1011574811.db2.gz BBRDMLRSDJRALX-IRXDYDNUSA-N 2 1 414.506 3.571 20 5 HHBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000541022659 1011656739 /nfs/dbraw/zinc/65/67/39/1011656739.db2.gz BMSFVVJKOWWSSJ-HNNXBMFYSA-N 2 1 423.473 3.777 20 5 HHBDMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000552080656 1012095674 /nfs/dbraw/zinc/09/56/74/1012095674.db2.gz LRETXKXGCGGWKB-DYESRHJHSA-N 2 1 414.575 3.781 20 5 HHBDMP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000590370407 1073771562 /nfs/dbraw/zinc/77/15/62/1073771562.db2.gz QCXLDZPCRRRRNJ-UHFFFAOYSA-N 2 1 423.513 3.870 20 5 HHBDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000537842678 1013404241 /nfs/dbraw/zinc/40/42/41/1013404241.db2.gz BOIIDRGPWWGTAE-UHFFFAOYSA-N 2 1 422.489 3.778 20 5 HHBDMP Cn1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538312879 1013844098 /nfs/dbraw/zinc/84/40/98/1013844098.db2.gz FNLFJTVTSLXFGE-UHFFFAOYSA-N 2 1 419.529 3.792 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000110911893 969740643 /nfs/dbraw/zinc/74/06/43/969740643.db2.gz JNGBHMJZIWEDTQ-UHFFFAOYSA-N 2 1 410.518 3.686 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000110911893 969740646 /nfs/dbraw/zinc/74/06/46/969740646.db2.gz JNGBHMJZIWEDTQ-UHFFFAOYSA-N 2 1 410.518 3.686 20 5 HHBDMP COc1ccc(OCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c([N+](=O)[O-])c1 ZINC000554842491 1014071475 /nfs/dbraw/zinc/07/14/75/1014071475.db2.gz XFSBSGTUHYTFOF-JOCHJYFZSA-N 2 1 413.518 3.873 20 5 HHBDMP COc1ccc(OCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c([N+](=O)[O-])c1 ZINC000554842491 1014071480 /nfs/dbraw/zinc/07/14/80/1014071480.db2.gz XFSBSGTUHYTFOF-JOCHJYFZSA-N 2 1 413.518 3.873 20 5 HHBDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000430919486 977887433 /nfs/dbraw/zinc/88/74/33/977887433.db2.gz QRKNREUIUMYTAQ-UHFFFAOYSA-N 2 1 408.974 3.876 20 5 HHBDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000431825793 978539511 /nfs/dbraw/zinc/53/95/11/978539511.db2.gz VMVXSEOUBWIBCN-UHFFFAOYSA-N 2 1 411.550 3.776 20 5 HHBDMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439601008 983466633 /nfs/dbraw/zinc/46/66/33/983466633.db2.gz ZHBFFAIRLFUEDF-KRWDZBQOSA-N 2 1 422.485 3.937 20 5 HHBDMP Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000443603465 985781193 /nfs/dbraw/zinc/78/11/93/985781193.db2.gz MRZYLENXZTWLFI-GOSISDBHSA-N 2 1 402.539 3.818 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000469790844 987435231 /nfs/dbraw/zinc/43/52/31/987435231.db2.gz MDEFIKYFHJHBNW-QZTJIDSGSA-N 2 1 410.518 3.588 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481180255 994010254 /nfs/dbraw/zinc/01/02/54/994010254.db2.gz KLQZKCRBBIXTFB-NQIIRXRSSA-N 2 1 410.518 3.732 20 5 HHBDMP CCC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000482633563 995628082 /nfs/dbraw/zinc/62/80/82/995628082.db2.gz RAQLFLDZUOOPDA-JTHBVZDNSA-N 2 1 424.545 3.923 20 5 HHBDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H](C)C1 ZINC000494484862 1000517688 /nfs/dbraw/zinc/51/76/88/1000517688.db2.gz KZGSZNPBQBWBME-RDTXWAMCSA-N 2 1 403.445 3.840 20 5 HHBDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H](C)C1 ZINC000494484862 1000517689 /nfs/dbraw/zinc/51/76/89/1000517689.db2.gz KZGSZNPBQBWBME-RDTXWAMCSA-N 2 1 403.445 3.840 20 5 HHBDMP C[NH+](C)CCOc1cc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000495028291 1000787921 /nfs/dbraw/zinc/78/79/21/1000787921.db2.gz MJQULLAFHUBLAV-HSZRJFAPSA-N 2 1 406.486 3.809 20 5 HHBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(CC[NH+]3CCCCC3)CC2)s1 ZINC000508200223 1002734835 /nfs/dbraw/zinc/73/48/35/1002734835.db2.gz VCWLNANYEIPNMS-UHFFFAOYSA-N 2 1 414.575 3.927 20 5 HHBDMP CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000543775174 1009343025 /nfs/dbraw/zinc/34/30/25/1009343025.db2.gz BBAYEZBEVXSJTJ-DYESRHJHSA-N 2 1 413.518 3.801 20 5 HHBDMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000552080657 1012096378 /nfs/dbraw/zinc/09/63/78/1012096378.db2.gz LRETXKXGCGGWKB-LAUBAEHRSA-N 2 1 414.575 3.781 20 5 HHBDMP COc1ccc(-c2ccc(C[NH2+]CCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000237425940 970283497 /nfs/dbraw/zinc/28/34/97/970283497.db2.gz DXUQOLZMYYDFFX-CALCHBBNSA-N 2 1 417.506 3.842 20 5 HHBDMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)cc2)CC1 ZINC000433171078 979115305 /nfs/dbraw/zinc/11/53/05/979115305.db2.gz CDHNPYOTARRKAS-QHCPKHFHSA-N 2 1 408.546 3.854 20 5 HHBDMP CCC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000482633556 995627441 /nfs/dbraw/zinc/62/74/41/995627441.db2.gz RAQLFLDZUOOPDA-FYYLOGMGSA-N 2 1 424.545 3.923 20 5 HHBDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000478034236 998725458 /nfs/dbraw/zinc/72/54/58/998725458.db2.gz GGWOSKGOOBGYTD-AVRDEDQJSA-N 2 1 414.550 3.677 20 5 HHBDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000478034236 998725460 /nfs/dbraw/zinc/72/54/60/998725460.db2.gz GGWOSKGOOBGYTD-AVRDEDQJSA-N 2 1 414.550 3.677 20 5 HHBDMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000500095001 1003456761 /nfs/dbraw/zinc/45/67/61/1003456761.db2.gz XEAKOYGVODPONO-ICSRJNTNSA-N 2 1 410.518 3.908 20 5 HHBDMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000500095001 1003456763 /nfs/dbraw/zinc/45/67/63/1003456763.db2.gz XEAKOYGVODPONO-ICSRJNTNSA-N 2 1 410.518 3.908 20 5 HHBDMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[NH+]1Cc1ccccc1 ZINC000500095001 1003456771 /nfs/dbraw/zinc/45/67/71/1003456771.db2.gz XEAKOYGVODPONO-ICSRJNTNSA-N 2 1 410.518 3.908 20 5 HHBDMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[NH+]1Cc1ccccc1 ZINC000500095001 1003456780 /nfs/dbraw/zinc/45/67/80/1003456780.db2.gz XEAKOYGVODPONO-ICSRJNTNSA-N 2 1 410.518 3.908 20 5 HHBDMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000538444068 1006711236 /nfs/dbraw/zinc/71/12/36/1006711236.db2.gz KJNQSLXRJSAGBJ-UHFFFAOYSA-N 2 1 406.280 3.969 20 5 HHBDMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000538724083 1007001416 /nfs/dbraw/zinc/00/14/16/1007001416.db2.gz QWVQADXTUZXXQS-FXAWDEMLSA-N 2 1 414.575 3.781 20 5 HHBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534965329 1007016693 /nfs/dbraw/zinc/01/66/93/1007016693.db2.gz QULAWTNDNFBMSA-LJQANCHMSA-N 2 1 422.529 3.910 20 5 HHBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534965329 1007016705 /nfs/dbraw/zinc/01/67/05/1007016705.db2.gz QULAWTNDNFBMSA-LJQANCHMSA-N 2 1 422.529 3.910 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000533408184 1007717125 /nfs/dbraw/zinc/71/71/25/1007717125.db2.gz RWTQVFHAARZYHV-LJQANCHMSA-N 2 1 402.539 3.820 20 5 HHBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540046226 1008255917 /nfs/dbraw/zinc/25/59/17/1008255917.db2.gz YDYRJJQWUQVKTD-KRWDZBQOSA-N 2 1 411.506 3.555 20 5 HHBDMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1)CC(C)C ZINC000540198591 1008332866 /nfs/dbraw/zinc/33/28/66/1008332866.db2.gz IARMZYHOMKDLOG-UHFFFAOYSA-N 2 1 404.555 3.922 20 5 HHBDMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1)CC(C)C ZINC000540198591 1008332870 /nfs/dbraw/zinc/33/28/70/1008332870.db2.gz IARMZYHOMKDLOG-UHFFFAOYSA-N 2 1 404.555 3.922 20 5 HHBDMP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC000543773495 1009342597 /nfs/dbraw/zinc/34/25/97/1009342597.db2.gz KBMXKONRMHOKDF-GOTSBHOMSA-N 2 1 409.530 3.662 20 5 HHBDMP CCOc1ccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000536626125 1011781861 /nfs/dbraw/zinc/78/18/61/1011781861.db2.gz FEUFVRQQSLLFFD-VQIMIIECSA-N 2 1 418.563 3.694 20 5 HHBDMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000542840353 1013702171 /nfs/dbraw/zinc/70/21/71/1013702171.db2.gz MCHOKIAYPXISRU-GOSISDBHSA-N 2 1 405.502 3.831 20 5 HHBDMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000542840353 1013702179 /nfs/dbraw/zinc/70/21/79/1013702179.db2.gz MCHOKIAYPXISRU-GOSISDBHSA-N 2 1 405.502 3.831 20 5 HHBDMP CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c([N+](=O)[O-])c1 ZINC000542881049 1013729551 /nfs/dbraw/zinc/72/95/51/1013729551.db2.gz LARBUHSDEXKXOX-OAHLLOKOSA-N 2 1 423.473 3.777 20 5 HHBDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1 ZINC000542881594 1013730338 /nfs/dbraw/zinc/73/03/38/1013730338.db2.gz SBZBAHUCQAOBPD-HNNXBMFYSA-N 2 1 421.457 3.738 20 5 HHBDMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000237164714 970233517 /nfs/dbraw/zinc/23/35/17/970233517.db2.gz FVHBLNMRXQXMLZ-UHFFFAOYSA-N 2 1 402.564 3.687 20 5 HHBDMP C[C@@H](CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000237567689 970315271 /nfs/dbraw/zinc/31/52/71/970315271.db2.gz QMLRYXIEENOFKK-SFHVURJKSA-N 2 1 407.518 3.996 20 5 HHBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433108916 979077037 /nfs/dbraw/zinc/07/70/37/979077037.db2.gz BPNQRCOBTQVIKP-IBGZPJMESA-N 2 1 422.529 3.910 20 5 HHBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433108916 979077045 /nfs/dbraw/zinc/07/70/45/979077045.db2.gz BPNQRCOBTQVIKP-IBGZPJMESA-N 2 1 422.529 3.910 20 5 HHBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433171169 979115430 /nfs/dbraw/zinc/11/54/30/979115430.db2.gz ABLCCNZYGPDSFO-LJQANCHMSA-N 2 1 422.529 3.910 20 5 HHBDMP CN(C(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000433174432 979119058 /nfs/dbraw/zinc/11/90/58/979119058.db2.gz JDGFXYVNEJBMOZ-UHFFFAOYSA-N 2 1 422.529 3.546 20 5 HHBDMP CN(C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000433174432 979119063 /nfs/dbraw/zinc/11/90/63/979119063.db2.gz JDGFXYVNEJBMOZ-UHFFFAOYSA-N 2 1 422.529 3.546 20 5 HHBDMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000439596283 983465215 /nfs/dbraw/zinc/46/52/15/983465215.db2.gz NVGYRVBETGHVIR-KRWDZBQOSA-N 2 1 422.485 3.937 20 5 HHBDMP CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000470149525 988056941 /nfs/dbraw/zinc/05/69/41/988056941.db2.gz ATPGCGZTZUZZOM-UXHICEINSA-N 2 1 421.517 3.535 20 5 HHBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000470176098 988092176 /nfs/dbraw/zinc/09/21/76/988092176.db2.gz IHZBLPBPSBRUBN-HEHNFIMWSA-N 2 1 408.546 3.748 20 5 HHBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000470176098 988092190 /nfs/dbraw/zinc/09/21/90/988092190.db2.gz IHZBLPBPSBRUBN-HEHNFIMWSA-N 2 1 408.546 3.748 20 5 HHBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000471239803 989385760 /nfs/dbraw/zinc/38/57/60/989385760.db2.gz ZQGZINUGQZIAKE-LJQANCHMSA-N 2 1 424.545 3.616 20 5 HHBDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000478034238 998725491 /nfs/dbraw/zinc/72/54/91/998725491.db2.gz GGWOSKGOOBGYTD-PGRDOPGGSA-N 2 1 414.550 3.677 20 5 HHBDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000478034238 998725493 /nfs/dbraw/zinc/72/54/93/998725493.db2.gz GGWOSKGOOBGYTD-PGRDOPGGSA-N 2 1 414.550 3.677 20 5 HHBDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000489651062 999810235 /nfs/dbraw/zinc/81/02/35/999810235.db2.gz SMUKURPEWOLJKS-UHFFFAOYSA-N 2 1 410.518 3.767 20 5 HHBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000504899803 1000435678 /nfs/dbraw/zinc/43/56/78/1000435678.db2.gz MLFPVYURJKUGNL-SIKLNZKXSA-N 2 1 415.559 3.692 20 5 HHBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000504899803 1000435685 /nfs/dbraw/zinc/43/56/85/1000435685.db2.gz MLFPVYURJKUGNL-SIKLNZKXSA-N 2 1 415.559 3.692 20 5 HHBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495433043 1001010555 /nfs/dbraw/zinc/01/05/55/1001010555.db2.gz MTUOQTAIYDHPRA-WSTZPKSXSA-N 2 1 410.518 3.812 20 5 HHBDMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000500095005 1003456691 /nfs/dbraw/zinc/45/66/91/1003456691.db2.gz XEAKOYGVODPONO-UYAOXDASSA-N 2 1 410.518 3.908 20 5 HHBDMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000500095005 1003456696 /nfs/dbraw/zinc/45/66/96/1003456696.db2.gz XEAKOYGVODPONO-UYAOXDASSA-N 2 1 410.518 3.908 20 5 HHBDMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[NH+]1Cc1ccccc1 ZINC000500095005 1003456701 /nfs/dbraw/zinc/45/67/01/1003456701.db2.gz XEAKOYGVODPONO-UYAOXDASSA-N 2 1 410.518 3.908 20 5 HHBDMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[NH+]1Cc1ccccc1 ZINC000500095005 1003456711 /nfs/dbraw/zinc/45/67/11/1003456711.db2.gz XEAKOYGVODPONO-UYAOXDASSA-N 2 1 410.518 3.908 20 5 HHBDMP O=C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500119132 1003480510 /nfs/dbraw/zinc/48/05/10/1003480510.db2.gz VITAERLEXOTQIG-IFMALSPDSA-N 2 1 422.529 3.910 20 5 HHBDMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500119132 1003480518 /nfs/dbraw/zinc/48/05/18/1003480518.db2.gz VITAERLEXOTQIG-IFMALSPDSA-N 2 1 422.529 3.910 20 5 HHBDMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500119132 1003480520 /nfs/dbraw/zinc/48/05/20/1003480520.db2.gz VITAERLEXOTQIG-IFMALSPDSA-N 2 1 422.529 3.910 20 5 HHBDMP O=C(CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000512284823 1004186992 /nfs/dbraw/zinc/18/69/92/1004186992.db2.gz DRJQJIRPYNYIOQ-HSZRJFAPSA-N 2 1 408.502 3.521 20 5 HHBDMP O=C(CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000512284823 1004186997 /nfs/dbraw/zinc/18/69/97/1004186997.db2.gz DRJQJIRPYNYIOQ-HSZRJFAPSA-N 2 1 408.502 3.521 20 5 HHBDMP O=C(CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000512284823 1004187005 /nfs/dbraw/zinc/18/70/05/1004187005.db2.gz DRJQJIRPYNYIOQ-HSZRJFAPSA-N 2 1 408.502 3.521 20 5 HHBDMP Cc1c(NC(=O)CC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cccc1[N+](=O)[O-] ZINC000512292936 1004196206 /nfs/dbraw/zinc/19/62/06/1004196206.db2.gz RBSKEPRJQLSIBO-DEOSSOPVSA-N 2 1 422.529 3.830 20 5 HHBDMP Cc1c(NC(=O)CC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cccc1[N+](=O)[O-] ZINC000512292936 1004196216 /nfs/dbraw/zinc/19/62/16/1004196216.db2.gz RBSKEPRJQLSIBO-DEOSSOPVSA-N 2 1 422.529 3.830 20 5 HHBDMP Cc1c(NC(=O)CC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cccc1[N+](=O)[O-] ZINC000512292936 1004196223 /nfs/dbraw/zinc/19/62/23/1004196223.db2.gz RBSKEPRJQLSIBO-DEOSSOPVSA-N 2 1 422.529 3.830 20 5 HHBDMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513745534 1005106747 /nfs/dbraw/zinc/10/67/47/1005106747.db2.gz AJDUAWVMWKGISF-UHFFFAOYSA-N 2 1 413.518 3.956 20 5 HHBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534228445 1006226931 /nfs/dbraw/zinc/22/69/31/1006226931.db2.gz PZVCRUCYVQLHAG-LJQANCHMSA-N 2 1 422.529 3.910 20 5 HHBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534228445 1006226940 /nfs/dbraw/zinc/22/69/40/1006226940.db2.gz PZVCRUCYVQLHAG-LJQANCHMSA-N 2 1 422.529 3.910 20 5 HHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000532537925 1006973330 /nfs/dbraw/zinc/97/33/30/1006973330.db2.gz XJDKMPTWOJDFQU-GOSISDBHSA-N 2 1 418.538 3.520 20 5 HHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000532537925 1006973351 /nfs/dbraw/zinc/97/33/51/1006973351.db2.gz XJDKMPTWOJDFQU-GOSISDBHSA-N 2 1 418.538 3.520 20 5 HHBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000539075578 1007365683 /nfs/dbraw/zinc/36/56/83/1007365683.db2.gz IIZCOBPXRHUUPK-PZJWPPBQSA-N 2 1 401.551 3.931 20 5 HHBDMP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000533271750 1007586258 /nfs/dbraw/zinc/58/62/58/1007586258.db2.gz UQAWOBVJNUPACO-GOSISDBHSA-N 2 1 418.538 3.520 20 5 HHBDMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000533271750 1007586267 /nfs/dbraw/zinc/58/62/67/1007586267.db2.gz UQAWOBVJNUPACO-GOSISDBHSA-N 2 1 418.538 3.520 20 5 HHBDMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000517901359 1008046408 /nfs/dbraw/zinc/04/64/08/1008046408.db2.gz ZLMQLMXGULAQQK-QZTJIDSGSA-N 2 1 405.539 3.703 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549868510 1009488842 /nfs/dbraw/zinc/48/88/42/1009488842.db2.gz XITAOFLAPAWBIJ-QFIPXVFZSA-N 2 1 409.530 3.922 20 5 HHBDMP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000303583843 971876286 /nfs/dbraw/zinc/87/62/86/971876286.db2.gz KWZWHAFFMLPYOS-QZTJIDSGSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000303583843 971876289 /nfs/dbraw/zinc/87/62/89/971876289.db2.gz KWZWHAFFMLPYOS-QZTJIDSGSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1ccc(NC(=O)CC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000303583843 971876292 /nfs/dbraw/zinc/87/62/92/971876292.db2.gz KWZWHAFFMLPYOS-QZTJIDSGSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1ccc(NC(=O)CC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000303583843 971876294 /nfs/dbraw/zinc/87/62/94/971876294.db2.gz KWZWHAFFMLPYOS-QZTJIDSGSA-N 2 1 418.538 3.518 20 5 HHBDMP O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cs2)c1 ZINC000537621106 1013164899 /nfs/dbraw/zinc/16/48/99/1013164899.db2.gz WBMUUAWGFFOWKF-UHFFFAOYSA-N 2 1 416.547 3.795 20 5 HHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000538269203 1013809661 /nfs/dbraw/zinc/80/96/61/1013809661.db2.gz VPOMLQOEZVRNBT-CABCVRRESA-N 2 1 423.473 3.775 20 5 HHBDMP CC(C)c1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1[N+](=O)[O-] ZINC000236721531 970163184 /nfs/dbraw/zinc/16/31/84/970163184.db2.gz PZSIKJGOONTXAB-OAQYLSRUSA-N 2 1 424.545 3.705 20 5 HHBDMP COc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237351602 970268302 /nfs/dbraw/zinc/26/83/02/970268302.db2.gz YOUFHPNOVFKQKR-UHFFFAOYSA-N 2 1 411.502 3.899 20 5 HHBDMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429233404 976525072 /nfs/dbraw/zinc/52/50/72/976525072.db2.gz CZXFSXLUOZGQGO-UHFFFAOYSA-N 2 1 424.545 3.509 20 5 HHBDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000431008172 977952209 /nfs/dbraw/zinc/95/22/09/977952209.db2.gz XMODJOUNBQUHMN-UHFFFAOYSA-N 2 1 422.957 3.517 20 5 HHBDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000431838248 978546273 /nfs/dbraw/zinc/54/62/73/978546273.db2.gz QOWODBCOMPPZBL-UHFFFAOYSA-N 2 1 411.550 3.776 20 5 HHBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433176181 979120191 /nfs/dbraw/zinc/12/01/91/979120191.db2.gz PTKNGCVJZDSNHI-LJQANCHMSA-N 2 1 422.529 3.910 20 5 HHBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433176181 979120195 /nfs/dbraw/zinc/12/01/95/979120195.db2.gz PTKNGCVJZDSNHI-LJQANCHMSA-N 2 1 422.529 3.910 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000469790845 987435375 /nfs/dbraw/zinc/43/53/75/987435375.db2.gz MDEFIKYFHJHBNW-ROUUACIJSA-N 2 1 410.518 3.588 20 5 HHBDMP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000471244597 989391084 /nfs/dbraw/zinc/39/10/84/989391084.db2.gz QTDNMGXGICUHEM-LJQANCHMSA-N 2 1 424.545 3.616 20 5 HHBDMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000482263114 995241264 /nfs/dbraw/zinc/24/12/64/995241264.db2.gz LFTLOTGJTBGWHZ-SFHVURJKSA-N 2 1 413.518 3.935 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000478054075 998738557 /nfs/dbraw/zinc/73/85/57/998738557.db2.gz PATPQNIZHWTTES-GOSISDBHSA-N 2 1 402.539 3.818 20 5 HHBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506475686 1001429734 /nfs/dbraw/zinc/42/97/34/1001429734.db2.gz YIGJASHWVZFMMQ-QZTJIDSGSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506475686 1001429740 /nfs/dbraw/zinc/42/97/40/1001429740.db2.gz YIGJASHWVZFMMQ-QZTJIDSGSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506475686 1001429742 /nfs/dbraw/zinc/42/97/42/1001429742.db2.gz YIGJASHWVZFMMQ-QZTJIDSGSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506475686 1001429744 /nfs/dbraw/zinc/42/97/44/1001429744.db2.gz YIGJASHWVZFMMQ-QZTJIDSGSA-N 2 1 418.538 3.518 20 5 HHBDMP O=C(CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500119134 1003480729 /nfs/dbraw/zinc/48/07/29/1003480729.db2.gz VITAERLEXOTQIG-RBBKRZOGSA-N 2 1 422.529 3.910 20 5 HHBDMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500119134 1003480734 /nfs/dbraw/zinc/48/07/34/1003480734.db2.gz VITAERLEXOTQIG-RBBKRZOGSA-N 2 1 422.529 3.910 20 5 HHBDMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500119134 1003480739 /nfs/dbraw/zinc/48/07/39/1003480739.db2.gz VITAERLEXOTQIG-RBBKRZOGSA-N 2 1 422.529 3.910 20 5 HHBDMP O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cs2)c1 ZINC000512427937 1004293691 /nfs/dbraw/zinc/29/36/91/1004293691.db2.gz OMEUAXHZGYMEAI-UHFFFAOYSA-N 2 1 416.547 3.653 20 5 HHBDMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000502708719 1005186874 /nfs/dbraw/zinc/18/68/74/1005186874.db2.gz YALSGBIOCVXLQB-UHFFFAOYSA-N 2 1 411.428 3.721 20 5 HHBDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000515519789 1006511183 /nfs/dbraw/zinc/51/11/83/1006511183.db2.gz YPJKVKOHKWADKM-ROUUACIJSA-N 2 1 410.518 3.944 20 5 HHBDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000532419638 1006864848 /nfs/dbraw/zinc/86/48/48/1006864848.db2.gz VPCQWIQCUQJLGP-QGZVFWFLSA-N 2 1 403.523 3.938 20 5 HHBDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000532419638 1006864856 /nfs/dbraw/zinc/86/48/56/1006864856.db2.gz VPCQWIQCUQJLGP-QGZVFWFLSA-N 2 1 403.523 3.938 20 5 HHBDMP C[NH+]1CCN([C@@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c2cccs2)CC1 ZINC000532441746 1006883822 /nfs/dbraw/zinc/88/38/22/1006883822.db2.gz IFXBTTSGZJOVAX-FPOVZHCZSA-N 2 1 414.575 3.556 20 5 HHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000532537926 1006973570 /nfs/dbraw/zinc/97/35/70/1006973570.db2.gz XJDKMPTWOJDFQU-SFHVURJKSA-N 2 1 418.538 3.520 20 5 HHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000532537926 1006973577 /nfs/dbraw/zinc/97/35/77/1006973577.db2.gz XJDKMPTWOJDFQU-SFHVURJKSA-N 2 1 418.538 3.520 20 5 HHBDMP O=[N+]([O-])c1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cs1 ZINC000549868538 1009489096 /nfs/dbraw/zinc/48/90/96/1009489096.db2.gz YSZUDHYGSASYTG-IBGZPJMESA-N 2 1 401.532 3.675 20 5 HHBDMP O=[N+]([O-])c1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cs1 ZINC000549868538 1009489100 /nfs/dbraw/zinc/48/91/00/1009489100.db2.gz YSZUDHYGSASYTG-IBGZPJMESA-N 2 1 401.532 3.675 20 5 HHBDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000544422573 1010043395 /nfs/dbraw/zinc/04/33/95/1010043395.db2.gz YKGYHIYIZLSJGQ-SOUVJXGZSA-N 2 1 408.930 3.818 20 5 HHBDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000544422573 1010043410 /nfs/dbraw/zinc/04/34/10/1010043410.db2.gz YKGYHIYIZLSJGQ-SOUVJXGZSA-N 2 1 408.930 3.818 20 5 HHBDMP COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c([N+](=O)[O-])c1 ZINC000541023606 1011658256 /nfs/dbraw/zinc/65/82/56/1011658256.db2.gz DARCMBLABUOFQS-CABCVRRESA-N 2 1 423.473 3.775 20 5 HHBDMP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000536737701 1011918424 /nfs/dbraw/zinc/91/84/24/1011918424.db2.gz RBWLJSAOYBIDHZ-QGZVFWFLSA-N 2 1 402.539 3.756 20 5 HHBDMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000536737701 1011918445 /nfs/dbraw/zinc/91/84/45/1011918445.db2.gz RBWLJSAOYBIDHZ-QGZVFWFLSA-N 2 1 402.539 3.756 20 5 HHBDMP CCc1ccc([C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541545432 1012331583 /nfs/dbraw/zinc/33/15/83/1012331583.db2.gz MWUKCALANACPHD-QHCPKHFHSA-N 2 1 414.550 3.703 20 5 HHBDMP CC[N@H+](CCC1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1)CC(C)C ZINC000537996445 1013570911 /nfs/dbraw/zinc/57/09/11/1013570911.db2.gz ZUJVVUAHAGOTML-UHFFFAOYSA-N 2 1 404.555 3.638 20 5 HHBDMP CC[N@@H+](CCC1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1)CC(C)C ZINC000537996445 1013570922 /nfs/dbraw/zinc/57/09/22/1013570922.db2.gz ZUJVVUAHAGOTML-UHFFFAOYSA-N 2 1 404.555 3.638 20 5 HHBDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237075135 970218151 /nfs/dbraw/zinc/21/81/51/970218151.db2.gz KKDHUINZAKGQHZ-SFHVURJKSA-N 2 1 405.502 3.879 20 5 HHBDMP COc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237353569 970268824 /nfs/dbraw/zinc/26/88/24/970268824.db2.gz DNFPXVVHMKPAII-UHFFFAOYSA-N 2 1 411.502 3.899 20 5 HHBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433171168 979115345 /nfs/dbraw/zinc/11/53/45/979115345.db2.gz ABLCCNZYGPDSFO-IBGZPJMESA-N 2 1 422.529 3.910 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843130 989090799 /nfs/dbraw/zinc/09/07/99/989090799.db2.gz QKCSZKJDTVEIKY-FQEVSTJZSA-N 2 1 410.518 3.686 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843130 989090806 /nfs/dbraw/zinc/09/08/06/989090806.db2.gz QKCSZKJDTVEIKY-FQEVSTJZSA-N 2 1 410.518 3.686 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843130 989090813 /nfs/dbraw/zinc/09/08/13/989090813.db2.gz QKCSZKJDTVEIKY-FQEVSTJZSA-N 2 1 410.518 3.686 20 5 HHBDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)c2)CCO1 ZINC000481562662 994397338 /nfs/dbraw/zinc/39/73/38/994397338.db2.gz CNEMUYQVYHOCML-MBSDFSHPSA-N 2 1 409.530 3.926 20 5 HHBDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)c2)CCO1 ZINC000481562662 994397347 /nfs/dbraw/zinc/39/73/47/994397347.db2.gz CNEMUYQVYHOCML-MBSDFSHPSA-N 2 1 409.530 3.926 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000492912922 1000149459 /nfs/dbraw/zinc/14/94/59/1000149459.db2.gz RCXCHHMSCGTOHH-CEXWTWQISA-N 2 1 405.539 3.554 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000492912922 1000149460 /nfs/dbraw/zinc/14/94/60/1000149460.db2.gz RCXCHHMSCGTOHH-CEXWTWQISA-N 2 1 405.539 3.554 20 5 HHBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495433040 1001010691 /nfs/dbraw/zinc/01/06/91/1001010691.db2.gz MTUOQTAIYDHPRA-GGPKGHCWSA-N 2 1 410.518 3.812 20 5 HHBDMP O=C(CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)Nc1ccccc1[N+](=O)[O-] ZINC000500072424 1003423766 /nfs/dbraw/zinc/42/37/66/1003423766.db2.gz CHNMADDTSJLSRO-XMMPIXPASA-N 2 1 422.529 3.912 20 5 HHBDMP O=C(CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)Nc1ccccc1[N+](=O)[O-] ZINC000500072424 1003423774 /nfs/dbraw/zinc/42/37/74/1003423774.db2.gz CHNMADDTSJLSRO-XMMPIXPASA-N 2 1 422.529 3.912 20 5 HHBDMP O=C(CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)Nc1ccccc1[N+](=O)[O-] ZINC000500072424 1003423782 /nfs/dbraw/zinc/42/37/82/1003423782.db2.gz CHNMADDTSJLSRO-XMMPIXPASA-N 2 1 422.529 3.912 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512277029 1004178159 /nfs/dbraw/zinc/17/81/59/1004178159.db2.gz MPBWQBBOBWRGTD-XMMPIXPASA-N 2 1 422.529 3.830 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512277029 1004178164 /nfs/dbraw/zinc/17/81/64/1004178164.db2.gz MPBWQBBOBWRGTD-XMMPIXPASA-N 2 1 422.529 3.830 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512277029 1004178169 /nfs/dbraw/zinc/17/81/69/1004178169.db2.gz MPBWQBBOBWRGTD-XMMPIXPASA-N 2 1 422.529 3.830 20 5 HHBDMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000531703982 1006366899 /nfs/dbraw/zinc/36/68/99/1006366899.db2.gz RSTFREMJIGVOLF-JKSUJKDBSA-N 2 1 416.547 3.561 20 5 HHBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534965328 1007016362 /nfs/dbraw/zinc/01/63/62/1007016362.db2.gz QULAWTNDNFBMSA-IBGZPJMESA-N 2 1 422.529 3.910 20 5 HHBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534965328 1007016366 /nfs/dbraw/zinc/01/63/66/1007016366.db2.gz QULAWTNDNFBMSA-IBGZPJMESA-N 2 1 422.529 3.910 20 5 HHBDMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c2cccs2)CC1 ZINC000517675010 1007890305 /nfs/dbraw/zinc/89/03/05/1007890305.db2.gz MQASRCJNOJYKBX-PMACEKPBSA-N 2 1 400.548 3.612 20 5 HHBDMP O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000549859813 1009478749 /nfs/dbraw/zinc/47/87/49/1009478749.db2.gz ARMNUUUNSGCDDV-UHFFFAOYSA-N 2 1 401.429 3.690 20 5 HHBDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]CCC(=O)Nc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000548761150 1010724592 /nfs/dbraw/zinc/72/45/92/1010724592.db2.gz ISMKFCZIOSYDKP-GOSISDBHSA-N 2 1 410.518 3.945 20 5 HHBDMP COc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000537698778 1013264368 /nfs/dbraw/zinc/26/43/68/1013264368.db2.gz XTPFKLAMUKFXON-QOEFQVSFSA-N 2 1 415.490 3.547 20 5 HHBDMP COc1ccc(-c2ccc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000537698778 1013264373 /nfs/dbraw/zinc/26/43/73/1013264373.db2.gz XTPFKLAMUKFXON-QOEFQVSFSA-N 2 1 415.490 3.547 20 5 HHBDMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000237610841 970322401 /nfs/dbraw/zinc/32/24/01/970322401.db2.gz RXFXZJVYIPMDQD-IYBDPMFKSA-N 2 1 404.536 3.697 20 5 HHBDMP Cn1cc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237757968 970356017 /nfs/dbraw/zinc/35/60/17/970356017.db2.gz AEPVRQDRORRBRM-UHFFFAOYSA-N 2 1 405.502 3.533 20 5 HHBDMP Cn1cc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237757968 970356027 /nfs/dbraw/zinc/35/60/27/970356027.db2.gz AEPVRQDRORRBRM-UHFFFAOYSA-N 2 1 405.502 3.533 20 5 HHBDMP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237769635 970361781 /nfs/dbraw/zinc/36/17/81/970361781.db2.gz UHGONBBFCNFETC-HXUWFJFHSA-N 2 1 419.529 3.650 20 5 HHBDMP Cc1c(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000431086439 978010424 /nfs/dbraw/zinc/01/04/24/978010424.db2.gz SWEJJNXZVCEOLG-UHFFFAOYSA-N 2 1 417.554 3.563 20 5 HHBDMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439590103 983463315 /nfs/dbraw/zinc/46/33/15/983463315.db2.gz AASOBIUVPGIORP-KRWDZBQOSA-N 2 1 422.485 3.937 20 5 HHBDMP CCOc1ccc(NC(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000443609220 985787390 /nfs/dbraw/zinc/78/73/90/985787390.db2.gz VDRLECJOARROCO-UHFFFAOYSA-N 2 1 418.538 3.520 20 5 HHBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)o2)c1 ZINC000471008094 989077328 /nfs/dbraw/zinc/07/73/28/989077328.db2.gz SKXHJZWWCMUOKQ-OYRHEFFESA-N 2 1 418.497 3.856 20 5 HHBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)o2)c1 ZINC000471008094 989077336 /nfs/dbraw/zinc/07/73/36/989077336.db2.gz SKXHJZWWCMUOKQ-OYRHEFFESA-N 2 1 418.497 3.856 20 5 HHBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)o2)c1 ZINC000471008094 989077344 /nfs/dbraw/zinc/07/73/44/989077344.db2.gz SKXHJZWWCMUOKQ-OYRHEFFESA-N 2 1 418.497 3.856 20 5 HHBDMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000482633467 995627485 /nfs/dbraw/zinc/62/74/85/995627485.db2.gz QQVMCJGWVBETBG-IFMALSPDSA-N 2 1 410.518 3.533 20 5 HHBDMP CCOc1cc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000492661005 1000137551 /nfs/dbraw/zinc/13/75/51/1000137551.db2.gz ZLTYTZRZSYOPOA-UHFFFAOYSA-N 2 1 418.582 3.622 20 5 HHBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495433042 1001010876 /nfs/dbraw/zinc/01/08/76/1001010876.db2.gz MTUOQTAIYDHPRA-QWFCFKBJSA-N 2 1 410.518 3.812 20 5 HHBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506475685 1001429780 /nfs/dbraw/zinc/42/97/80/1001429780.db2.gz YIGJASHWVZFMMQ-MSOLQXFVSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506475685 1001429784 /nfs/dbraw/zinc/42/97/84/1001429784.db2.gz YIGJASHWVZFMMQ-MSOLQXFVSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506475685 1001429789 /nfs/dbraw/zinc/42/97/89/1001429789.db2.gz YIGJASHWVZFMMQ-MSOLQXFVSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506475685 1001429791 /nfs/dbraw/zinc/42/97/91/1001429791.db2.gz YIGJASHWVZFMMQ-MSOLQXFVSA-N 2 1 418.538 3.518 20 5 HHBDMP CN(c1ccccc1)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000531759121 1006402489 /nfs/dbraw/zinc/40/24/89/1006402489.db2.gz GPASCISOVBWISD-LADGPHEKSA-N 2 1 424.545 3.830 20 5 HHBDMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000538724084 1007001604 /nfs/dbraw/zinc/00/16/04/1007001604.db2.gz QWVQADXTUZXXQS-PXNSSMCTSA-N 2 1 414.575 3.781 20 5 HHBDMP Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cccc1[N+](=O)[O-] ZINC000533408665 1007716960 /nfs/dbraw/zinc/71/69/60/1007716960.db2.gz FWEZFZKSDVFGSE-IBGZPJMESA-N 2 1 402.539 3.820 20 5 HHBDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000517557738 1007769545 /nfs/dbraw/zinc/76/95/45/1007769545.db2.gz TUOGPDSBRADVJY-MBSDFSHPSA-N 2 1 422.529 3.864 20 5 HHBDMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c2cccs2)CC1 ZINC000517675012 1007889975 /nfs/dbraw/zinc/88/99/75/1007889975.db2.gz MQASRCJNOJYKBX-VQTJNVASSA-N 2 1 400.548 3.612 20 5 HHBDMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000521838916 1010651398 /nfs/dbraw/zinc/65/13/98/1010651398.db2.gz LUQNJVLMMXKWIY-MBSDFSHPSA-N 2 1 422.529 3.722 20 5 HHBDMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000536626122 1011781974 /nfs/dbraw/zinc/78/19/74/1011781974.db2.gz FEUFVRQQSLLFFD-APWZRJJASA-N 2 1 418.563 3.694 20 5 HHBDMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000542000051 1012879762 /nfs/dbraw/zinc/87/97/62/1012879762.db2.gz JVPJLMZZOWVNTO-UHFFFAOYSA-N 2 1 408.974 3.876 20 5 HHBDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000542000051 1012879775 /nfs/dbraw/zinc/87/97/75/1012879775.db2.gz JVPJLMZZOWVNTO-UHFFFAOYSA-N 2 1 408.974 3.876 20 5 HHBDMP O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC3(C1)CC[NH+](Cc1ccccc1)CC3)OCCO2 ZINC000590370430 1073771450 /nfs/dbraw/zinc/77/14/50/1073771450.db2.gz RWIXCBIBDIIMHL-UHFFFAOYSA-N 2 1 423.513 3.854 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000573965313 1074744890 /nfs/dbraw/zinc/74/48/90/1074744890.db2.gz NXWPYKUVZWAMBC-RTWAWAEBSA-N 2 1 422.529 3.686 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000573965313 1074744897 /nfs/dbraw/zinc/74/48/97/1074744897.db2.gz NXWPYKUVZWAMBC-RTWAWAEBSA-N 2 1 422.529 3.686 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000573965313 1074744905 /nfs/dbraw/zinc/74/49/05/1074744905.db2.gz NXWPYKUVZWAMBC-RTWAWAEBSA-N 2 1 422.529 3.686 20 5 HHBDMP CC(C)c1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1[N+](=O)[O-] ZINC000236721567 970163230 /nfs/dbraw/zinc/16/32/30/970163230.db2.gz PZSIKJGOONTXAB-NRFANRHFSA-N 2 1 424.545 3.705 20 5 HHBDMP Cc1c(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000443603466 985780982 /nfs/dbraw/zinc/78/09/82/985780982.db2.gz MRZYLENXZTWLFI-SFHVURJKSA-N 2 1 402.539 3.818 20 5 HHBDMP COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000443603919 985781280 /nfs/dbraw/zinc/78/12/80/985781280.db2.gz MYZOLHHUWZXPRT-QGZVFWFLSA-N 2 1 418.538 3.518 20 5 HHBDMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000467874357 993103260 /nfs/dbraw/zinc/10/32/60/993103260.db2.gz LKBJBLXBVBPCFR-SFHVURJKSA-N 2 1 413.518 3.935 20 5 HHBDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)CC1 ZINC000513502701 1004993167 /nfs/dbraw/zinc/99/31/67/1004993167.db2.gz DFXDMEWPHDYBFN-KRWDZBQOSA-N 2 1 400.548 3.535 20 5 HHBDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000538751538 1007035954 /nfs/dbraw/zinc/03/59/54/1007035954.db2.gz XFBSMJFOIUHGJK-LJQANCHMSA-N 2 1 404.536 3.651 20 5 HHBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000538751538 1007035967 /nfs/dbraw/zinc/03/59/67/1007035967.db2.gz XFBSMJFOIUHGJK-LJQANCHMSA-N 2 1 404.536 3.651 20 5 HHBDMP Cc1c(NC(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cccc1[N+](=O)[O-] ZINC000533408666 1007717222 /nfs/dbraw/zinc/71/72/22/1007717222.db2.gz FWEZFZKSDVFGSE-LJQANCHMSA-N 2 1 402.539 3.820 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000533408182 1007717512 /nfs/dbraw/zinc/71/75/12/1007717512.db2.gz RWTQVFHAARZYHV-IBGZPJMESA-N 2 1 402.539 3.820 20 5 HHBDMP Cc1[nH+]ccn1CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000518274028 1008235561 /nfs/dbraw/zinc/23/55/61/1008235561.db2.gz USPGPIDNQGYZIU-UHFFFAOYSA-N 2 1 402.458 3.742 20 5 HHBDMP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000520962912 1010008481 /nfs/dbraw/zinc/00/84/81/1010008481.db2.gz ZJCDYSYQMZFJFM-UHFFFAOYSA-N 2 1 423.542 3.760 20 5 HHBDMP COCCC[NH+]1CCC([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000520964178 1010009211 /nfs/dbraw/zinc/00/92/11/1010009211.db2.gz KCBGPUJPRPVLBZ-UHFFFAOYSA-N 2 1 412.534 3.953 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000573965312 1074744700 /nfs/dbraw/zinc/74/47/00/1074744700.db2.gz NXWPYKUVZWAMBC-NHCUHLMSSA-N 2 1 422.529 3.686 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000573965312 1074744707 /nfs/dbraw/zinc/74/47/07/1074744707.db2.gz NXWPYKUVZWAMBC-NHCUHLMSSA-N 2 1 422.529 3.686 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000573965312 1074744715 /nfs/dbraw/zinc/74/47/15/1074744715.db2.gz NXWPYKUVZWAMBC-NHCUHLMSSA-N 2 1 422.529 3.686 20 5 HHBDMP C[NH+](C)/C=C\c1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ncc1[N+](=O)[O-] ZINC001164625994 719096611 /nfs/dbraw/zinc/09/66/11/719096611.db2.gz HWKPKRFNTXTCKP-AVVSJUPMSA-N 2 1 407.518 3.623 20 5 HHBDMP C[NH+](C)/C=C\c1cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ncc1[N+](=O)[O-] ZINC001164625994 719096615 /nfs/dbraw/zinc/09/66/15/719096615.db2.gz HWKPKRFNTXTCKP-AVVSJUPMSA-N 2 1 407.518 3.623 20 5 HHBDMP CC(C)[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350664 967151009 /nfs/dbraw/zinc/15/10/09/967151009.db2.gz BSFIJZBALRCTOO-UHFFFAOYSA-N 2 1 424.545 3.717 20 5 HHBDMP CC(C)[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350664 967151019 /nfs/dbraw/zinc/15/10/19/967151019.db2.gz BSFIJZBALRCTOO-UHFFFAOYSA-N 2 1 424.545 3.717 20 5 HHBDMP CC(C)[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1CC[NH+](C)CC1 ZINC000236704531 970159531 /nfs/dbraw/zinc/15/95/31/970159531.db2.gz ZAVUBOFWCHRUNE-HXUWFJFHSA-N 2 1 420.941 3.870 20 5 HHBDMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430197657 977386289 /nfs/dbraw/zinc/38/62/89/977386289.db2.gz VWHLMUVXGSRXTI-INIZCTEOSA-N 2 1 416.497 3.735 20 5 HHBDMP COc1ccc(OCC[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000469760438 987413997 /nfs/dbraw/zinc/41/39/97/987413997.db2.gz KIECTYHVGNUIGW-CYGODWOOSA-N 2 1 413.518 3.728 20 5 HHBDMP COc1cc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])cc1F ZINC000464479575 988651588 /nfs/dbraw/zinc/65/15/88/988651588.db2.gz IZIUCGXTVIUKMZ-UHFFFAOYSA-N 2 1 402.470 3.876 20 5 HHBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000471244596 989391314 /nfs/dbraw/zinc/39/13/14/989391314.db2.gz QTDNMGXGICUHEM-IBGZPJMESA-N 2 1 424.545 3.616 20 5 HHBDMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000467171319 992490464 /nfs/dbraw/zinc/49/04/64/992490464.db2.gz SZWQCPXSBBCULA-MRXNPFEDSA-N 2 1 417.510 3.529 20 5 HHBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495368871 1000987064 /nfs/dbraw/zinc/98/70/64/1000987064.db2.gz LMKINPASAIMPBF-GGPKGHCWSA-N 2 1 410.518 3.812 20 5 HHBDMP CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512276931 1004177970 /nfs/dbraw/zinc/17/79/70/1004177970.db2.gz AUTSTWFMJLQOEL-UHFFFAOYSA-N 2 1 413.522 3.761 20 5 HHBDMP CCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512276931 1004177974 /nfs/dbraw/zinc/17/79/74/1004177974.db2.gz AUTSTWFMJLQOEL-UHFFFAOYSA-N 2 1 413.522 3.761 20 5 HHBDMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000531703887 1006366755 /nfs/dbraw/zinc/36/67/55/1006366755.db2.gz RSTFREMJIGVOLF-HOTGVXAUSA-N 2 1 416.547 3.561 20 5 HHBDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)CC1 ZINC000538721606 1006996260 /nfs/dbraw/zinc/99/62/60/1006996260.db2.gz UGAMASBXIARCQI-GOSISDBHSA-N 2 1 414.575 3.924 20 5 HHBDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000517557736 1007769073 /nfs/dbraw/zinc/76/90/73/1007769073.db2.gz TUOGPDSBRADVJY-FDDCHVKYSA-N 2 1 422.529 3.864 20 5 HHBDMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000539850423 1008139132 /nfs/dbraw/zinc/13/91/32/1008139132.db2.gz NCUPTSZZYVRTCB-FQEVSTJZSA-N 2 1 413.518 3.956 20 5 HHBDMP CCc1ccc([C@H]([NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544357275 1009983702 /nfs/dbraw/zinc/98/37/02/1009983702.db2.gz IWAKYWGIJCSSOV-WZONZLPQSA-N 2 1 414.550 3.703 20 5 HHBDMP COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c([N+](=O)[O-])c1 ZINC000541023608 1011658065 /nfs/dbraw/zinc/65/80/65/1011658065.db2.gz DARCMBLABUOFQS-HUUCEWRRSA-N 2 1 423.473 3.775 20 5 HHBDMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000729684410 1071807611 /nfs/dbraw/zinc/80/76/11/1071807611.db2.gz OPFPCBNNCFANLZ-UHFFFAOYSA-N 2 1 406.914 3.625 20 5 HHBDMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237412627 970280223 /nfs/dbraw/zinc/28/02/23/970280223.db2.gz LZGRFKXQLYPLDQ-IBGZPJMESA-N 2 1 411.502 3.756 20 5 HHBDMP O=C(CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1ccccc1[N+](=O)[O-] ZINC000433124482 979085610 /nfs/dbraw/zinc/08/56/10/979085610.db2.gz CTKZFIRQYGXPJL-UHFFFAOYSA-N 2 1 422.529 3.912 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000469771212 987422896 /nfs/dbraw/zinc/42/28/96/987422896.db2.gz YMHMKPRNTCRYTM-QZTJIDSGSA-N 2 1 410.518 3.588 20 5 HHBDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481190871 994023288 /nfs/dbraw/zinc/02/32/88/994023288.db2.gz PNVGGRCTIHZRIE-YJBOKZPZSA-N 2 1 416.909 3.687 20 5 HHBDMP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000475219866 996005050 /nfs/dbraw/zinc/00/50/50/996005050.db2.gz LVPZVKOIHUNALW-IBGZPJMESA-N 2 1 405.502 3.607 20 5 HHBDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000478053023 998737943 /nfs/dbraw/zinc/73/79/43/998737943.db2.gz JRWXTXBTSXZVCQ-GOSISDBHSA-N 2 1 402.539 3.900 20 5 HHBDMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)CCc3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000509056616 1003520492 /nfs/dbraw/zinc/52/04/92/1003520492.db2.gz OGZBAUYZNZLFQG-UHFFFAOYSA-N 2 1 412.534 3.754 20 5 HHBDMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)CCc3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000509056616 1003520500 /nfs/dbraw/zinc/52/05/00/1003520500.db2.gz OGZBAUYZNZLFQG-UHFFFAOYSA-N 2 1 412.534 3.754 20 5 HHBDMP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501044804 1004146423 /nfs/dbraw/zinc/14/64/23/1004146423.db2.gz KPJNEEPVLFJETJ-MRXNPFEDSA-N 2 1 422.489 3.949 20 5 HHBDMP CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512278876 1004179826 /nfs/dbraw/zinc/17/98/26/1004179826.db2.gz DVFOMIRAFIBZIC-UHFFFAOYSA-N 2 1 413.522 3.761 20 5 HHBDMP CCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512278876 1004179834 /nfs/dbraw/zinc/17/98/34/1004179834.db2.gz DVFOMIRAFIBZIC-UHFFFAOYSA-N 2 1 413.522 3.761 20 5 HHBDMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513741318 1005104968 /nfs/dbraw/zinc/10/49/68/1005104968.db2.gz KKBHINSLAWZOGQ-UHFFFAOYSA-N 2 1 413.518 3.956 20 5 HHBDMP COc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000538715271 1006988393 /nfs/dbraw/zinc/98/83/93/1006988393.db2.gz BZTKWNQSWFDYHL-UHFFFAOYSA-N 2 1 415.481 3.800 20 5 HHBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000539075577 1007366330 /nfs/dbraw/zinc/36/63/30/1007366330.db2.gz IIZCOBPXRHUUPK-FPOVZHCZSA-N 2 1 401.551 3.931 20 5 HHBDMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000540475151 1008446138 /nfs/dbraw/zinc/44/61/38/1008446138.db2.gz FSQKSZVQYPIHKC-FQEVSTJZSA-N 2 1 424.545 3.597 20 5 HHBDMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000540475151 1008446142 /nfs/dbraw/zinc/44/61/42/1008446142.db2.gz FSQKSZVQYPIHKC-FQEVSTJZSA-N 2 1 424.545 3.597 20 5 HHBDMP CCc1ccc([C@@H]([NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544357274 1009983393 /nfs/dbraw/zinc/98/33/93/1009983393.db2.gz IWAKYWGIJCSSOV-MBSDFSHPSA-N 2 1 414.550 3.703 20 5 HHBDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000544422571 1010043228 /nfs/dbraw/zinc/04/32/28/1010043228.db2.gz YKGYHIYIZLSJGQ-KKUMJFAQSA-N 2 1 408.930 3.818 20 5 HHBDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000544422571 1010043245 /nfs/dbraw/zinc/04/32/45/1010043245.db2.gz YKGYHIYIZLSJGQ-KKUMJFAQSA-N 2 1 408.930 3.818 20 5 HHBDMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]CCC(=O)Nc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000548761151 1010724857 /nfs/dbraw/zinc/72/48/57/1010724857.db2.gz ISMKFCZIOSYDKP-SFHVURJKSA-N 2 1 410.518 3.945 20 5 HHBDMP COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c([N+](=O)[O-])c1 ZINC000541023609 1011657589 /nfs/dbraw/zinc/65/75/89/1011657589.db2.gz DARCMBLABUOFQS-LSDHHAIUSA-N 2 1 423.473 3.775 20 5 HHBDMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000552080658 1012096105 /nfs/dbraw/zinc/09/61/05/1012096105.db2.gz LRETXKXGCGGWKB-UTKZUKDTSA-N 2 1 414.575 3.781 20 5 HHBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)s1 ZINC000195632380 969920682 /nfs/dbraw/zinc/92/06/82/969920682.db2.gz NQUOGEISDBRSCF-UHFFFAOYSA-N 2 1 400.548 3.537 20 5 HHBDMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000430124621 977332573 /nfs/dbraw/zinc/33/25/73/977332573.db2.gz AUPAXXBOOMVMRV-DEOSSOPVSA-N 2 1 417.513 3.975 20 5 HHBDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000430124621 977332575 /nfs/dbraw/zinc/33/25/75/977332575.db2.gz AUPAXXBOOMVMRV-DEOSSOPVSA-N 2 1 417.513 3.975 20 5 HHBDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000430124621 977332583 /nfs/dbraw/zinc/33/25/83/977332583.db2.gz AUPAXXBOOMVMRV-DEOSSOPVSA-N 2 1 417.513 3.975 20 5 HHBDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000430124621 977332589 /nfs/dbraw/zinc/33/25/89/977332589.db2.gz AUPAXXBOOMVMRV-DEOSSOPVSA-N 2 1 417.513 3.975 20 5 HHBDMP O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)nc2c1 ZINC000444660596 986842895 /nfs/dbraw/zinc/84/28/95/986842895.db2.gz JWASIOPXPWGTEW-UHFFFAOYSA-N 2 1 405.502 3.959 20 5 HHBDMP O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)nc2c1 ZINC000444660596 986842907 /nfs/dbraw/zinc/84/29/07/986842907.db2.gz JWASIOPXPWGTEW-UHFFFAOYSA-N 2 1 405.502 3.959 20 5 HHBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000469766667 987419262 /nfs/dbraw/zinc/41/92/62/987419262.db2.gz WWSDCRCWUGLKGH-OEWRPIJISA-N 2 1 410.518 3.588 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000469771213 987422700 /nfs/dbraw/zinc/42/27/00/987422700.db2.gz YMHMKPRNTCRYTM-ROUUACIJSA-N 2 1 410.518 3.588 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000478054076 998738437 /nfs/dbraw/zinc/73/84/37/998738437.db2.gz PATPQNIZHWTTES-SFHVURJKSA-N 2 1 402.539 3.818 20 5 HHBDMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508554705 1003027185 /nfs/dbraw/zinc/02/71/85/1003027185.db2.gz WEUVTUWMFDUBCO-HXUWFJFHSA-N 2 1 413.518 3.956 20 5 HHBDMP COc1ccc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508554705 1003027139 /nfs/dbraw/zinc/02/71/39/1003027139.db2.gz WEUVTUWMFDUBCO-HXUWFJFHSA-N 2 1 413.518 3.956 20 5 HHBDMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508554705 1003027173 /nfs/dbraw/zinc/02/71/73/1003027173.db2.gz WEUVTUWMFDUBCO-HXUWFJFHSA-N 2 1 413.518 3.956 20 5 HHBDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000512184334 1004086451 /nfs/dbraw/zinc/08/64/51/1004086451.db2.gz XUKJVOMWMJIYHH-IBGZPJMESA-N 2 1 411.550 3.939 20 5 HHBDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000512184334 1004086456 /nfs/dbraw/zinc/08/64/56/1004086456.db2.gz XUKJVOMWMJIYHH-IBGZPJMESA-N 2 1 411.550 3.939 20 5 HHBDMP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501044803 1004146446 /nfs/dbraw/zinc/14/64/46/1004146446.db2.gz KPJNEEPVLFJETJ-INIZCTEOSA-N 2 1 422.489 3.949 20 5 HHBDMP CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512278050 1004178872 /nfs/dbraw/zinc/17/88/72/1004178872.db2.gz IOKIDUGWCOGFFA-UHFFFAOYSA-N 2 1 413.522 3.891 20 5 HHBDMP CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512278050 1004178874 /nfs/dbraw/zinc/17/88/74/1004178874.db2.gz IOKIDUGWCOGFFA-UHFFFAOYSA-N 2 1 413.522 3.891 20 5 HHBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000513828233 1005148543 /nfs/dbraw/zinc/14/85/43/1005148543.db2.gz FYLXIQIKJLEJSZ-KELGSRBJSA-N 2 1 423.557 3.779 20 5 HHBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000513828233 1005148547 /nfs/dbraw/zinc/14/85/47/1005148547.db2.gz FYLXIQIKJLEJSZ-KELGSRBJSA-N 2 1 423.557 3.779 20 5 HHBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532187462 1006706329 /nfs/dbraw/zinc/70/63/29/1006706329.db2.gz SMIIOIIJNMJQPS-FXAWDEMLSA-N 2 1 402.564 3.556 20 5 HHBDMP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000539075576 1007366016 /nfs/dbraw/zinc/36/60/16/1007366016.db2.gz IIZCOBPXRHUUPK-CTNGQTDRSA-N 2 1 401.551 3.931 20 5 HHBDMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000539850427 1008139154 /nfs/dbraw/zinc/13/91/54/1008139154.db2.gz NCUPTSZZYVRTCB-HXUWFJFHSA-N 2 1 413.518 3.956 20 5 HHBDMP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000543773498 1009342725 /nfs/dbraw/zinc/34/27/25/1009342725.db2.gz KBMXKONRMHOKDF-PKTZIBPZSA-N 2 1 409.530 3.662 20 5 HHBDMP CC[NH+](CC)CCCC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000542011927 1012896156 /nfs/dbraw/zinc/89/61/56/1012896156.db2.gz GVZTYGGKGIDQEL-UHFFFAOYSA-N 2 1 401.511 3.979 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000303152509 971531196 /nfs/dbraw/zinc/53/11/96/971531196.db2.gz FSDOIGGWKYTUAT-UHFFFAOYSA-N 2 1 410.518 3.686 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000303152509 971531204 /nfs/dbraw/zinc/53/12/04/971531204.db2.gz FSDOIGGWKYTUAT-UHFFFAOYSA-N 2 1 410.518 3.686 20 5 HHBDMP Cn1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537627357 1013177845 /nfs/dbraw/zinc/17/78/45/1013177845.db2.gz USJGLDBRCNHLNQ-HXUWFJFHSA-N 2 1 419.529 3.949 20 5 HHBDMP Cn1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537627357 1013177852 /nfs/dbraw/zinc/17/78/52/1013177852.db2.gz USJGLDBRCNHLNQ-HXUWFJFHSA-N 2 1 419.529 3.949 20 5 HHBDMP Cn1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537627357 1013177859 /nfs/dbraw/zinc/17/78/59/1013177859.db2.gz USJGLDBRCNHLNQ-HXUWFJFHSA-N 2 1 419.529 3.949 20 5 HHBDMP Cn1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537627357 1013177862 /nfs/dbraw/zinc/17/78/62/1013177862.db2.gz USJGLDBRCNHLNQ-HXUWFJFHSA-N 2 1 419.529 3.949 20 5 HHBDMP CCOc1cc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000431850240 978551540 /nfs/dbraw/zinc/55/15/40/978551540.db2.gz VNZSGDJFENPTIF-UHFFFAOYSA-N 2 1 404.555 3.626 20 5 HHBDMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439590108 983463456 /nfs/dbraw/zinc/46/34/56/983463456.db2.gz AASOBIUVPGIORP-QGZVFWFLSA-N 2 1 422.485 3.937 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843957 989091803 /nfs/dbraw/zinc/09/18/03/989091803.db2.gz BJYBITUWUJIZKH-HXUWFJFHSA-N 2 1 410.518 3.686 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843957 989091822 /nfs/dbraw/zinc/09/18/22/989091822.db2.gz BJYBITUWUJIZKH-HXUWFJFHSA-N 2 1 410.518 3.686 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843957 989091834 /nfs/dbraw/zinc/09/18/34/989091834.db2.gz BJYBITUWUJIZKH-HXUWFJFHSA-N 2 1 410.518 3.686 20 5 HHBDMP COC1CC[NH+](C2(C[NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)CCCC2)CC1 ZINC000482640284 995634969 /nfs/dbraw/zinc/63/49/69/995634969.db2.gz UUKAVYDLNFQRDZ-OAQYLSRUSA-N 2 1 401.551 3.929 20 5 HHBDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000478053024 998737935 /nfs/dbraw/zinc/73/79/35/998737935.db2.gz JRWXTXBTSXZVCQ-SFHVURJKSA-N 2 1 402.539 3.900 20 5 HHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)s2)cc1 ZINC000506011572 1001161871 /nfs/dbraw/zinc/16/18/71/1001161871.db2.gz DWUDWZSQRNRLLB-UHFFFAOYSA-N 2 1 400.548 3.537 20 5 HHBDMP O=C(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500119133 1003480771 /nfs/dbraw/zinc/48/07/71/1003480771.db2.gz VITAERLEXOTQIG-IRLDBZIGSA-N 2 1 422.529 3.910 20 5 HHBDMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500119133 1003480775 /nfs/dbraw/zinc/48/07/75/1003480775.db2.gz VITAERLEXOTQIG-IRLDBZIGSA-N 2 1 422.529 3.910 20 5 HHBDMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500119133 1003480780 /nfs/dbraw/zinc/48/07/80/1003480780.db2.gz VITAERLEXOTQIG-IRLDBZIGSA-N 2 1 422.529 3.910 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512281002 1004183174 /nfs/dbraw/zinc/18/31/74/1004183174.db2.gz XKCHNXNIMSJEPX-XMMPIXPASA-N 2 1 422.529 3.830 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512281002 1004183182 /nfs/dbraw/zinc/18/31/82/1004183182.db2.gz XKCHNXNIMSJEPX-XMMPIXPASA-N 2 1 422.529 3.830 20 5 HHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512281002 1004183192 /nfs/dbraw/zinc/18/31/92/1004183192.db2.gz XKCHNXNIMSJEPX-XMMPIXPASA-N 2 1 422.529 3.830 20 5 HHBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000513828936 1005149044 /nfs/dbraw/zinc/14/90/44/1005149044.db2.gz SHSHNBZWMMVVPO-SSPYTLHUSA-N 2 1 409.530 3.533 20 5 HHBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000513828936 1005149045 /nfs/dbraw/zinc/14/90/45/1005149045.db2.gz SHSHNBZWMMVVPO-SSPYTLHUSA-N 2 1 409.530 3.533 20 5 HHBDMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000531703885 1006366836 /nfs/dbraw/zinc/36/68/36/1006366836.db2.gz RSTFREMJIGVOLF-CVEARBPZSA-N 2 1 416.547 3.561 20 5 HHBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000532545890 1006978339 /nfs/dbraw/zinc/97/83/39/1006978339.db2.gz ZSTPFCLSCUFKCX-SFHVURJKSA-N 2 1 410.518 3.766 20 5 HHBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000532545890 1006978347 /nfs/dbraw/zinc/97/83/47/1006978347.db2.gz ZSTPFCLSCUFKCX-SFHVURJKSA-N 2 1 410.518 3.766 20 5 HHBDMP Cc1cccc(NC[C@@H]2CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)[nH+]1 ZINC000532577755 1007009999 /nfs/dbraw/zinc/00/99/99/1007009999.db2.gz GMAPMALSUTWCLJ-KRWDZBQOSA-N 2 1 407.474 3.930 20 5 HHBDMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)[nH+]1 ZINC000532577755 1007010015 /nfs/dbraw/zinc/01/00/15/1007010015.db2.gz GMAPMALSUTWCLJ-KRWDZBQOSA-N 2 1 407.474 3.930 20 5 HHBDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)CC1 ZINC000538762680 1007046828 /nfs/dbraw/zinc/04/68/28/1007046828.db2.gz CNCIYUNBSQARPO-FQEVSTJZSA-N 2 1 414.575 3.924 20 5 HHBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000541915645 1012773833 /nfs/dbraw/zinc/77/38/33/1012773833.db2.gz VCCDLKBCCNGMSM-PMACEKPBSA-N 2 1 415.559 3.822 20 5 HHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000303627426 971909114 /nfs/dbraw/zinc/90/91/14/971909114.db2.gz QDRWENCNVAHYIY-ROUUACIJSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000303627426 971909121 /nfs/dbraw/zinc/90/91/21/971909121.db2.gz QDRWENCNVAHYIY-ROUUACIJSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000303627426 971909124 /nfs/dbraw/zinc/90/91/24/971909124.db2.gz QDRWENCNVAHYIY-ROUUACIJSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000303627426 971909129 /nfs/dbraw/zinc/90/91/29/971909129.db2.gz QDRWENCNVAHYIY-ROUUACIJSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000303627423 971909221 /nfs/dbraw/zinc/90/92/21/971909221.db2.gz QDRWENCNVAHYIY-MSOLQXFVSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000303627423 971909230 /nfs/dbraw/zinc/90/92/30/971909230.db2.gz QDRWENCNVAHYIY-MSOLQXFVSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000303627423 971909236 /nfs/dbraw/zinc/90/92/36/971909236.db2.gz QDRWENCNVAHYIY-MSOLQXFVSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000303627423 971909240 /nfs/dbraw/zinc/90/92/40/971909240.db2.gz QDRWENCNVAHYIY-MSOLQXFVSA-N 2 1 418.538 3.518 20 5 HHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000538269205 1013810036 /nfs/dbraw/zinc/81/00/36/1013810036.db2.gz VPOMLQOEZVRNBT-HUUCEWRRSA-N 2 1 423.473 3.775 20 5 HHBDMP COc1ccc(OCC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430826621 977781495 /nfs/dbraw/zinc/78/14/95/977781495.db2.gz IHEWXUKBUDGDEF-QUCCMNQESA-N 2 1 413.518 3.967 20 5 HHBDMP COc1ccc(OCC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430826621 977781501 /nfs/dbraw/zinc/78/15/01/977781501.db2.gz IHEWXUKBUDGDEF-QUCCMNQESA-N 2 1 413.518 3.967 20 5 HHBDMP COc1ccc(OCC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430826621 977781510 /nfs/dbraw/zinc/78/15/10/977781510.db2.gz IHEWXUKBUDGDEF-QUCCMNQESA-N 2 1 413.518 3.967 20 5 HHBDMP COc1ccc(OCC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430826621 977781514 /nfs/dbraw/zinc/78/15/14/977781514.db2.gz IHEWXUKBUDGDEF-QUCCMNQESA-N 2 1 413.518 3.967 20 5 HHBDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000430994585 977940209 /nfs/dbraw/zinc/94/02/09/977940209.db2.gz WZVNSVZOPIZAKD-UHFFFAOYSA-N 2 1 422.957 3.517 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460353877 982127495 /nfs/dbraw/zinc/12/74/95/982127495.db2.gz RINFBBDIRDAIIR-HROJSSOGSA-N 2 1 424.545 3.978 20 5 HHBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481188950 994021232 /nfs/dbraw/zinc/02/12/32/994021232.db2.gz LMCLARCKMSEVIV-NQIIRXRSSA-N 2 1 410.518 3.732 20 5 HHBDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)c2)CCO1 ZINC000481562661 994397547 /nfs/dbraw/zinc/39/75/47/994397547.db2.gz CNEMUYQVYHOCML-JPYJTQIMSA-N 2 1 409.530 3.926 20 5 HHBDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)c2)CCO1 ZINC000481562661 994397558 /nfs/dbraw/zinc/39/75/58/994397558.db2.gz CNEMUYQVYHOCML-JPYJTQIMSA-N 2 1 409.530 3.926 20 5 HHBDMP CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000490015842 999878044 /nfs/dbraw/zinc/87/80/44/999878044.db2.gz WNQVXHHKBVWFMS-UHFFFAOYSA-N 2 1 413.522 3.891 20 5 HHBDMP CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000490015842 999878045 /nfs/dbraw/zinc/87/80/45/999878045.db2.gz WNQVXHHKBVWFMS-UHFFFAOYSA-N 2 1 413.522 3.891 20 5 HHBDMP COc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491064766 1000041631 /nfs/dbraw/zinc/04/16/31/1000041631.db2.gz HVOJSUUDDNGJII-UHFFFAOYSA-N 2 1 413.465 3.555 20 5 HHBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000504899801 1000436102 /nfs/dbraw/zinc/43/61/02/1000436102.db2.gz MLFPVYURJKUGNL-DENIHFKCSA-N 2 1 415.559 3.692 20 5 HHBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000504899801 1000436109 /nfs/dbraw/zinc/43/61/09/1000436109.db2.gz MLFPVYURJKUGNL-DENIHFKCSA-N 2 1 415.559 3.692 20 5 HHBDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H](C)C1 ZINC000494484860 1000518052 /nfs/dbraw/zinc/51/80/52/1000518052.db2.gz KZGSZNPBQBWBME-KDOFPFPSSA-N 2 1 403.445 3.840 20 5 HHBDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H](C)C1 ZINC000494484860 1000518059 /nfs/dbraw/zinc/51/80/59/1000518059.db2.gz KZGSZNPBQBWBME-KDOFPFPSSA-N 2 1 403.445 3.840 20 5 HHBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000513828232 1005148635 /nfs/dbraw/zinc/14/86/35/1005148635.db2.gz FYLXIQIKJLEJSZ-IGABQKFOSA-N 2 1 423.557 3.779 20 5 HHBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000513828232 1005148637 /nfs/dbraw/zinc/14/86/37/1005148637.db2.gz FYLXIQIKJLEJSZ-IGABQKFOSA-N 2 1 423.557 3.779 20 5 HHBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000513828231 1005148680 /nfs/dbraw/zinc/14/86/80/1005148680.db2.gz FYLXIQIKJLEJSZ-BIHRQFPBSA-N 2 1 423.557 3.779 20 5 HHBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000513828231 1005148683 /nfs/dbraw/zinc/14/86/83/1005148683.db2.gz FYLXIQIKJLEJSZ-BIHRQFPBSA-N 2 1 423.557 3.779 20 5 HHBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000513828935 1005149010 /nfs/dbraw/zinc/14/90/10/1005149010.db2.gz SHSHNBZWMMVVPO-ODGPQVTHSA-N 2 1 409.530 3.533 20 5 HHBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000513828935 1005149011 /nfs/dbraw/zinc/14/90/11/1005149011.db2.gz SHSHNBZWMMVVPO-ODGPQVTHSA-N 2 1 409.530 3.533 20 5 HHBDMP C[NH+]1CCN([C@@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c2cccs2)CC1 ZINC000532441745 1006883452 /nfs/dbraw/zinc/88/34/52/1006883452.db2.gz IFXBTTSGZJOVAX-CTNGQTDRSA-N 2 1 414.575 3.556 20 5 HHBDMP CN(C(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000534965414 1007017061 /nfs/dbraw/zinc/01/70/61/1007017061.db2.gz UGACPBDLPOOOOK-UHFFFAOYSA-N 2 1 422.529 3.546 20 5 HHBDMP CN(C(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000534965414 1007017076 /nfs/dbraw/zinc/01/70/76/1007017076.db2.gz UGACPBDLPOOOOK-UHFFFAOYSA-N 2 1 422.529 3.546 20 5 HHBDMP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000533242625 1007562351 /nfs/dbraw/zinc/56/23/51/1007562351.db2.gz XFWPQNKETSJHER-JOCHJYFZSA-N 2 1 410.518 3.857 20 5 HHBDMP CCc1ccc([C@H]([NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544357272 1009983706 /nfs/dbraw/zinc/98/37/06/1009983706.db2.gz IWAKYWGIJCSSOV-FDDCHVKYSA-N 2 1 414.550 3.703 20 5 HHBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000541022661 1011656693 /nfs/dbraw/zinc/65/66/93/1011656693.db2.gz BMSFVVJKOWWSSJ-OAHLLOKOSA-N 2 1 423.473 3.777 20 5 HHBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(F)c1 ZINC000590192686 1073637513 /nfs/dbraw/zinc/63/75/13/1073637513.db2.gz YUOKLVKUTWVJCX-FQEVSTJZSA-N 2 1 413.493 3.752 20 5 HHBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c(F)c1 ZINC000590192686 1073637517 /nfs/dbraw/zinc/63/75/17/1073637517.db2.gz YUOKLVKUTWVJCX-FQEVSTJZSA-N 2 1 413.493 3.752 20 5 HHBDMP