smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCC[NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000004057370 194373123 /nfs/dbraw/zinc/37/31/23/194373123.db2.gz XXLBWYXKDSBOCQ-LJQANCHMSA-N 1 1 454.612 1.906 50 0 JDAAMO C[N@@H+](CCCNC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1)Cc1ccccc1 ZINC000004079372 194375465 /nfs/dbraw/zinc/37/54/65/194375465.db2.gz RCZVUPQXIQLYGF-UHFFFAOYSA-N 1 1 494.658 1.420 50 0 JDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1cnc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O ZINC000004104106 194378083 /nfs/dbraw/zinc/37/80/83/194378083.db2.gz QWMKKLVOTXJBIM-GOSISDBHSA-N 1 1 475.615 1.418 50 0 JDAAMO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000012681092 195084159 /nfs/dbraw/zinc/08/41/59/195084159.db2.gz YYTHXWAKJUZVPU-LJQANCHMSA-N 1 1 463.556 1.876 50 0 JDAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012683654 195085112 /nfs/dbraw/zinc/08/51/12/195085112.db2.gz NBWYQIWRTJKLTO-UHFFFAOYSA-N 1 1 484.622 1.888 50 0 JDAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000012780908 195124583 /nfs/dbraw/zinc/12/45/83/195124583.db2.gz FRMKVOKKZXEFJW-GHTZIAJQSA-N 1 1 451.589 1.898 50 0 JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@]32c3cc(Cl)cc(C)c3NC2=O)cc1 ZINC000020610532 195183579 /nfs/dbraw/zinc/18/35/79/195183579.db2.gz RTLALERPMMDQFG-SYSFZUQMSA-N 1 1 482.924 1.453 50 0 biogenic JDAAMO CC[NH+]1CCN(C(=O)CN2c3cc(S(=O)(=O)N4CCCC4)ccc3SCC2=O)CC1 ZINC000020724543 195206968 /nfs/dbraw/zinc/20/69/68/195206968.db2.gz FWGJAJWFSULKOI-UHFFFAOYSA-N 1 1 452.602 1.074 50 0 JDAAMO Cc1sc2ncn(CC(=O)NCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)c2c1C ZINC000020757228 195216193 /nfs/dbraw/zinc/21/61/93/195216193.db2.gz SZWMGJAWHYQOFZ-UHFFFAOYSA-N 1 1 453.568 1.535 50 0 JDAAMO Nc1ncc(Br)cc1S(=O)(=O)NCCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020761661 195218220 /nfs/dbraw/zinc/21/82/20/195218220.db2.gz LNWYIFOWMBSUKA-UHFFFAOYSA-N 1 1 482.404 1.439 50 0 JDAAMO CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2C[C@@H]1C ZINC000020922437 195248306 /nfs/dbraw/zinc/24/83/06/195248306.db2.gz YHHFTHCIGCGNKD-IBGZPJMESA-N 1 1 484.622 1.949 50 0 JDAAMO CC[NH+]1CCN(C(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCCCCC4)cc32)CC1 ZINC000020923368 195248594 /nfs/dbraw/zinc/24/85/94/195248594.db2.gz MIXAWTBDCVGRQZ-UHFFFAOYSA-N 1 1 464.588 1.141 50 0 JDAAMO CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000021022483 195267802 /nfs/dbraw/zinc/26/78/02/195267802.db2.gz ZLWIMQKHCQHEFB-XMMPIXPASA-N 1 1 484.622 1.997 50 0 JDAAMO CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000021022472 195267856 /nfs/dbraw/zinc/26/78/56/195267856.db2.gz ZLWIMQKHCQHEFB-DEOSSOPVSA-N 1 1 484.622 1.997 50 0 JDAAMO CCCc1cc(=O)n2nc(N3CCC(C(=O)NCCC[NH+]4CCN(C)CC4)CC3)sc2n1 ZINC000021166042 195288827 /nfs/dbraw/zinc/28/88/27/195288827.db2.gz HRHBJSIAMODRSN-UHFFFAOYSA-N 1 1 461.636 1.074 50 0 JDAAMO Cc1noc(C)c1S(=O)(=O)N1CCCN(CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000021901076 195328904 /nfs/dbraw/zinc/32/89/04/195328904.db2.gz BQDSKRXXUICAIC-UHFFFAOYSA-N 1 1 489.642 1.641 50 0 JDAAMO CN1CC[NH+](CCCNC(=O)CN2c3cc(C(=O)N4CCCC4)ccc3N3CCCC[C@@H]3C2=O)CC1 ZINC000021942350 195339508 /nfs/dbraw/zinc/33/95/08/195339508.db2.gz YZNGRYXXCKUTKG-HSZRJFAPSA-N 1 1 496.656 1.382 50 0 JDAAMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000058392419 195378953 /nfs/dbraw/zinc/37/89/53/195378953.db2.gz JXMZEAQEZFELPE-KRWDZBQOSA-N 1 1 453.381 1.628 50 0 JDAAMO COC(=O)CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C1CCCC1 ZINC000058065719 195364008 /nfs/dbraw/zinc/36/40/08/195364008.db2.gz GPCYHJHBEYOLIN-UHFFFAOYSA-N 1 1 477.627 1.816 50 0 JDAAMO CCOc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCC[N@@H+](CC)C3)CC2)cc1OCC ZINC000058155731 195367175 /nfs/dbraw/zinc/36/71/75/195367175.db2.gz OPHDRGGHXYJMRU-SFHVURJKSA-N 1 1 468.620 1.984 50 0 JDAAMO CC(C)Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCN2CCCC2)cc1 ZINC000045944082 519441097 /nfs/dbraw/zinc/44/10/97/519441097.db2.gz FZXGICPCKKZCLO-UHFFFAOYSA-N 1 1 450.649 1.794 50 0 JDAAMO CCCn1nnc2cc(S(=O)(=O)N3CCCC[C@H]3C(=O)NCCC[NH+]3CCOCC3)ccc21 ZINC000033263071 519896499 /nfs/dbraw/zinc/89/64/99/519896499.db2.gz OPPKHXMRZQLQRH-NRFANRHFSA-N 1 1 478.619 1.223 50 0 JDAAMO CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000014800291 520051973 /nfs/dbraw/zinc/05/19/73/520051973.db2.gz JQWRCKQMUQSQOD-UHFFFAOYSA-N 1 1 467.588 1.293 50 0 JDAAMO CC(C)n1nnc2cc(S(=O)(=O)N3CCC[C@H]3C(=O)NCCC[NH+]3CCOCC3)ccc21 ZINC000033262941 520139644 /nfs/dbraw/zinc/13/96/44/520139644.db2.gz JILMMAHHHMDRQB-FQEVSTJZSA-N 1 1 464.592 1.004 50 0 JDAAMO CCOC(=O)N1CCC([N@@H+]2CCc3nnc(CNC(=O)c4ccccc4OC)n3CC2)CC1 ZINC000012329226 520925217 /nfs/dbraw/zinc/92/52/17/520925217.db2.gz AKJOKANCINHJRH-UHFFFAOYSA-N 1 1 456.547 1.696 50 0 JDAAMO CCN(CC[NH+](C)C)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000033032984 521043030 /nfs/dbraw/zinc/04/30/30/521043030.db2.gz YSXJVDJSASHNFT-UHFFFAOYSA-N 1 1 489.642 1.929 50 0 JDAAMO CCCCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@]32c3cc(F)ccc3NC2=O)cc1 ZINC000020518236 521274653 /nfs/dbraw/zinc/27/46/53/521274653.db2.gz PCOQEQSJMJJEIL-BINBFKAUSA-N 1 1 464.497 1.969 50 0 JDAAMO CCOc1cccc(C[N@H+]2CCc3c(C(=O)OC)c(OC[C@@H]4CC(=O)N(C)C4)cc(=O)n3CC2)c1 ZINC000014969803 521344071 /nfs/dbraw/zinc/34/40/71/521344071.db2.gz GIKFPSCEESZSMO-LJQANCHMSA-N 1 1 483.565 1.949 50 0 JDAAMO CCOc1cccc(C[N@@H+]2CCc3c(C(=O)OC)c(OC[C@@H]4CC(=O)N(C)C4)cc(=O)n3CC2)c1 ZINC000014969803 521344079 /nfs/dbraw/zinc/34/40/79/521344079.db2.gz GIKFPSCEESZSMO-LJQANCHMSA-N 1 1 483.565 1.949 50 0 JDAAMO CCCCn1c(CN2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)nc2cc(S(N)(=O)=O)ccc21 ZINC000022799801 521360915 /nfs/dbraw/zinc/36/09/15/521360915.db2.gz WRLFINLWAAGINB-UHFFFAOYSA-N 1 1 478.663 1.906 50 0 JDAAMO CCCCn1c(CN2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)nc2cc(S(N)(=O)=O)ccc21 ZINC000022799801 521360928 /nfs/dbraw/zinc/36/09/28/521360928.db2.gz WRLFINLWAAGINB-UHFFFAOYSA-N 1 1 478.663 1.906 50 0 JDAAMO CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC(C(=O)NCCC[NH+]3CCN(C)CC3)CC2)c1C ZINC000046046264 521364951 /nfs/dbraw/zinc/36/49/51/521364951.db2.gz NFRFWVJSMPQOEN-UHFFFAOYSA-N 1 1 489.661 1.733 50 0 JDAAMO CCCCn1c(N)c(N(CCOC)C(=O)C[N@H+](C)Cc2ccc(OCC)c(OC)c2)c(=O)[nH]c1=O ZINC000009508466 521368480 /nfs/dbraw/zinc/36/84/80/521368480.db2.gz DNTXCXYBLOOGKG-UHFFFAOYSA-N 1 1 491.589 1.438 50 0 JDAAMO CCCCn1c(N)c(N(CCOC)C(=O)C[N@@H+](C)Cc2ccc(OCC)c(OC)c2)c(=O)[nH]c1=O ZINC000009508466 521368491 /nfs/dbraw/zinc/36/84/91/521368491.db2.gz DNTXCXYBLOOGKG-UHFFFAOYSA-N 1 1 491.589 1.438 50 0 JDAAMO CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)NCCC[NH+]3CCN(CC)CC3)C2)c1C ZINC000035482212 521377194 /nfs/dbraw/zinc/37/71/94/521377194.db2.gz FGQVEJCABLMPLT-FQEVSTJZSA-N 1 1 475.634 1.804 50 0 JDAAMO CCOC(=O)c1c(C)oc(NC(=O)CN2CC[NH+](CCOc3ccc(OC)cc3)CC2)c1C(N)=O ZINC000022809932 521399146 /nfs/dbraw/zinc/39/91/46/521399146.db2.gz RTEKFHXKWPBERZ-UHFFFAOYSA-N 1 1 488.541 1.507 50 0 JDAAMO CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)NC(N3CC[NH+](Cc4ccccc4)CC3)=N2)cc1 ZINC000022572366 521510560 /nfs/dbraw/zinc/51/05/60/521510560.db2.gz BGKGSSNARHGMAE-OAQYLSRUSA-N 1 1 463.538 1.864 50 0 JDAAMO CC[N@@H+]1CCC[C@@H]1CNCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000022809395 521639637 /nfs/dbraw/zinc/63/96/37/521639637.db2.gz AKUZIUAZUFEOMO-LJQANCHMSA-N 1 1 479.647 1.320 50 0 JDAAMO CC[N@H+]1CCC[C@@H]1CNCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000022809395 521639641 /nfs/dbraw/zinc/63/96/41/521639641.db2.gz AKUZIUAZUFEOMO-LJQANCHMSA-N 1 1 479.647 1.320 50 0 JDAAMO CC[NH+]1CCN(C(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)c3c2=O)CC1 ZINC000020116932 521664475 /nfs/dbraw/zinc/66/44/75/521664475.db2.gz FDVCJPKQKOSRMW-IYBDPMFKSA-N 1 1 495.671 1.597 50 0 JDAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccc(OC)cc4)s3)C2)CC1 ZINC000033263510 521666295 /nfs/dbraw/zinc/66/62/95/521666295.db2.gz GWJZZVHBMKZFBQ-MRXNPFEDSA-N 1 1 486.598 1.815 50 0 JDAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)cs3)C2)CC1 ZINC000033279270 521668698 /nfs/dbraw/zinc/66/86/98/521668698.db2.gz MPUURHWZDNANPO-HNNXBMFYSA-N 1 1 453.590 1.671 50 0 JDAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccc(OC)cc4)s3)C2)CC1 ZINC000033263511 521669154 /nfs/dbraw/zinc/66/91/54/521669154.db2.gz GWJZZVHBMKZFBQ-INIZCTEOSA-N 1 1 486.598 1.815 50 0 JDAAMO CC[NH+]1CCN(C(=O)c2ccc(Cn3c(=O)[nH]c4cc(OC)c(OC)cc4c3=O)cc2)CC1 ZINC000004792734 521669867 /nfs/dbraw/zinc/66/98/67/521669867.db2.gz NKPRTEJKQPHEST-UHFFFAOYSA-N 1 1 452.511 1.533 50 0 JDAAMO CC[NH+]1CCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)CC1 ZINC000067337180 521670848 /nfs/dbraw/zinc/67/08/48/521670848.db2.gz BQGPTZKIDSJASL-UHFFFAOYSA-N 1 1 481.022 1.362 50 0 JDAAMO CCN1CC[NH+](CCCNC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)cn2C)CC1 ZINC000020487916 521680660 /nfs/dbraw/zinc/68/06/60/521680660.db2.gz QKKINGQNGWGMCL-UHFFFAOYSA-N 1 1 459.616 1.534 50 0 JDAAMO CCN1CC[NH+](CCCNC(=O)c2ccc(Cn3c4ccccc4n(CC)c(=O)c3=O)cc2)CC1 ZINC000033272615 521681187 /nfs/dbraw/zinc/68/11/87/521681187.db2.gz SUAMMUXNNRQYOI-UHFFFAOYSA-N 1 1 477.609 1.989 50 0 JDAAMO COc1cc(C(=O)N(CC[N@@H+]2CCCC[C@H]2C)CC(=O)N2CCNCC2)cc(OC)c1OC ZINC000033032731 522062786 /nfs/dbraw/zinc/06/27/86/522062786.db2.gz RKZVULAIDZFENW-GOSISDBHSA-N 1 1 462.591 1.461 50 0 JDAAMO COc1cc(C(=O)N(CC[N@H+]2CCCC[C@H]2C)CC(=O)N2CCNCC2)cc(OC)c1OC ZINC000033032731 522062796 /nfs/dbraw/zinc/06/27/96/522062796.db2.gz RKZVULAIDZFENW-GOSISDBHSA-N 1 1 462.591 1.461 50 0 JDAAMO COC(=O)c1nnn([C@H]2C[C@@H](C(=O)NCc3ccco3)[N@@H+](CC3CCCCC3)C2)c1C(=O)OC ZINC000014989107 522398721 /nfs/dbraw/zinc/39/87/21/522398721.db2.gz VHLAPDLFTQYWSB-WMZOPIPTSA-N 1 1 473.530 1.956 50 0 JDAAMO COc1cc(C[N@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)cc(OC)c1OC ZINC000012279682 522401800 /nfs/dbraw/zinc/40/18/00/522401800.db2.gz UTLQRSLGRBASAA-LJQANCHMSA-N 1 1 467.592 1.609 50 0 JDAAMO COc1cc(C[N@@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)cc(OC)c1OC ZINC000012279682 522401811 /nfs/dbraw/zinc/40/18/11/522401811.db2.gz UTLQRSLGRBASAA-LJQANCHMSA-N 1 1 467.592 1.609 50 0 JDAAMO CCn1c(=O)c(-c2noc(C(=O)NCCC[N@@H+](C)C3CCCCC3)n2)nn(-c2ccc(F)cc2)c1=O ZINC000045946050 523096341 /nfs/dbraw/zinc/09/63/41/523096341.db2.gz UZLWPLAIQZIVSQ-UHFFFAOYSA-N 1 1 499.547 1.988 50 0 JDAAMO CCn1c(=O)c(-c2noc(C(=O)NCC[N@@H+](C)C3CCCCC3)n2)nn(-c2ccc(C)cc2)c1=O ZINC000045946470 523098214 /nfs/dbraw/zinc/09/82/14/523098214.db2.gz YQNHKVQLWRJBFE-UHFFFAOYSA-N 1 1 481.557 1.767 50 0 JDAAMO CCn1c(=O)c(-c2noc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)n2)nn(-c2ccc(F)cc2)c1=O ZINC000045946005 523099578 /nfs/dbraw/zinc/09/95/78/523099578.db2.gz KOYWVJCYKFPRMK-AWEZNQCLSA-N 1 1 471.493 1.207 50 0 JDAAMO COc1ccc(-c2nnc3ccc(N4CCC(C(=O)NCCC[NH+]5CCN(C)CC5)CC4)nn32)cc1 ZINC000033260072 523266444 /nfs/dbraw/zinc/26/64/44/523266444.db2.gz VLJOSUBRTDCDEK-UHFFFAOYSA-N 1 1 492.628 1.770 50 0 JDAAMO CCn1c2ccccc2n(Cc2ccc(C(=O)NCCC[NH+]3CCN(C)CC3)cc2)c(=O)c1=O ZINC000033272608 523281720 /nfs/dbraw/zinc/28/17/20/523281720.db2.gz LKLDNNQEESNFAL-UHFFFAOYSA-N 1 1 463.582 1.599 50 0 JDAAMO COCCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CC[NH+](CCOC)CC2)c1 ZINC000016839170 523502079 /nfs/dbraw/zinc/50/20/79/523502079.db2.gz KKWGBXOZHACGBQ-UHFFFAOYSA-N 1 1 453.543 1.580 50 0 JDAAMO CN1C(=O)c2cc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021874409 523727441 /nfs/dbraw/zinc/72/74/41/523727441.db2.gz NACYSNABTZYOLR-MHZLTWQESA-N 1 1 492.624 1.964 50 0 JDAAMO COCCN1C(=O)C[C@](CC(=O)N(C)CCC[NH+]2CCOCC2)(c2ccccc2Cl)C1=O ZINC000020452385 523800250 /nfs/dbraw/zinc/80/02/50/523800250.db2.gz VIGKKTGHDYNJGB-HSZRJFAPSA-N 1 1 465.978 1.554 50 0 JDAAMO COCC[NH+]1CCN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(CCCOc3cccnc3)C2=O)CC1 ZINC000019228533 523842579 /nfs/dbraw/zinc/84/25/79/523842579.db2.gz UCVHRGIZFDGFHP-HHHXNRCGSA-N 1 1 494.592 1.728 50 0 JDAAMO C[NH+]1CCN(C(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(=O)n(Cc3ccc(F)cc3)c2=O)CC1 ZINC000036088158 523884788 /nfs/dbraw/zinc/88/47/88/523884788.db2.gz SLASYUJWMNXOBK-UHFFFAOYSA-N 1 1 491.445 1.988 50 0 JDAAMO C[NH+]1CCN(C(=O)c2nn(-c3cccc(Cl)c3)c(=O)n(Cc3cccc(F)c3)c2=O)CC1 ZINC000036087528 523884806 /nfs/dbraw/zinc/88/48/06/523884806.db2.gz OGCIIKCSUHVROA-UHFFFAOYSA-N 1 1 457.893 1.623 50 0 JDAAMO COc1ccc(CCNC(=O)C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1OC ZINC000022784905 523954177 /nfs/dbraw/zinc/95/41/77/523954177.db2.gz VQDKGVXWIPNKQB-JTSKRJEESA-N 1 1 474.627 1.917 50 0 JDAAMO CCc1ccc(S(=O)(=O)N(CCC[NH+]2CCCCC2)CCC(=O)N2CCNCC2)cc1 ZINC000045945135 524010649 /nfs/dbraw/zinc/01/06/49/524010649.db2.gz QDQZBNUWWAHLFE-UHFFFAOYSA-N 1 1 450.649 1.938 50 0 JDAAMO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000022804137 524273353 /nfs/dbraw/zinc/27/33/53/524273353.db2.gz PTLSSKIAKONZSR-SFHVURJKSA-N 1 1 478.640 1.914 50 0 JDAAMO Cc1cccc(C)c1NC(=O)CN1CC[NH+](CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000022913073 524274772 /nfs/dbraw/zinc/27/47/72/524274772.db2.gz JVCYWIMSPNNKDY-UHFFFAOYSA-N 1 1 473.599 1.536 50 0 JDAAMO COc1ccccc1CN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cccs1 ZINC000033114854 524439048 /nfs/dbraw/zinc/43/90/48/524439048.db2.gz MYGHHRAYEWFCBA-UHFFFAOYSA-N 1 1 459.615 1.183 50 0 JDAAMO Cc1cccc(Cn2c(=O)c(C(=O)N3CC[NH+](C)CC3)nn(-c3ccc(Cl)cc3)c2=O)c1 ZINC000036085739 524488647 /nfs/dbraw/zinc/48/86/47/524488647.db2.gz SQFXDCMDJNRDHT-UHFFFAOYSA-N 1 1 453.930 1.792 50 0 JDAAMO C[C@@H](CN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cccs1)c1ccccc1 ZINC000033114859 524580429 /nfs/dbraw/zinc/58/04/29/524580429.db2.gz YWABQMUTRZRLAC-KRWDZBQOSA-N 1 1 457.643 1.778 50 0 JDAAMO Cc1cccc(NC(=O)CN2CCN(C(=O)C3CC[NH+]([C@H]4CCS(=O)(=O)C4)CC3)CC2)c1C ZINC000024987978 524592073 /nfs/dbraw/zinc/59/20/73/524592073.db2.gz RNMWWIRXEOEJFE-NRFANRHFSA-N 1 1 476.643 1.285 50 0 JDAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)CCn2c3ccccc3n(C)c(=O)c2=O)CC1 ZINC000033272406 524735351 /nfs/dbraw/zinc/73/53/51/524735351.db2.gz MXCGUOCRYCZPRV-UHFFFAOYSA-N 1 1 484.000 1.991 50 0 JDAAMO COc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000045945393 525012674 /nfs/dbraw/zinc/01/26/74/525012674.db2.gz WKZJXTWYJWYUIV-WOJBJXKFSA-N 1 1 466.648 1.486 50 0 JDAAMO COc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000045945239 525012726 /nfs/dbraw/zinc/01/27/26/525012726.db2.gz FYSLLKDFTWGSEC-LJQANCHMSA-N 1 1 452.621 1.382 50 0 JDAAMO COc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2CCCC[C@H]2C)cc1 ZINC000045945239 525012739 /nfs/dbraw/zinc/01/27/39/525012739.db2.gz FYSLLKDFTWGSEC-LJQANCHMSA-N 1 1 452.621 1.382 50 0 JDAAMO COc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000045945386 525013328 /nfs/dbraw/zinc/01/33/28/525013328.db2.gz WKZJXTWYJWYUIV-BGYRXZFFSA-N 1 1 466.648 1.486 50 0 JDAAMO COc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000045945386 525013338 /nfs/dbraw/zinc/01/33/38/525013338.db2.gz WKZJXTWYJWYUIV-BGYRXZFFSA-N 1 1 466.648 1.486 50 0 JDAAMO COc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000045945242 525014284 /nfs/dbraw/zinc/01/42/84/525014284.db2.gz FYSLLKDFTWGSEC-IBGZPJMESA-N 1 1 452.621 1.382 50 0 JDAAMO COc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000045945242 525014292 /nfs/dbraw/zinc/01/42/92/525014292.db2.gz FYSLLKDFTWGSEC-IBGZPJMESA-N 1 1 452.621 1.382 50 0 JDAAMO COc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000045945482 525014639 /nfs/dbraw/zinc/01/46/39/525014639.db2.gz OYSGDORYLMQTIY-BGYRXZFFSA-N 1 1 466.648 1.771 50 0 JDAAMO COc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000045945482 525014650 /nfs/dbraw/zinc/01/46/50/525014650.db2.gz OYSGDORYLMQTIY-BGYRXZFFSA-N 1 1 466.648 1.771 50 0 JDAAMO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)N2CC[NH+](C)CC2)C1 ZINC000020356777 525212328 /nfs/dbraw/zinc/21/23/28/525212328.db2.gz PNLSILFVMSUWQW-HZPDHXFCSA-N 1 1 450.561 1.035 50 0 JDAAMO Cc1ccccc1S(=O)(=O)N(CCC(=O)N1CCNCC1)CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000045945465 525328151 /nfs/dbraw/zinc/32/81/51/525328151.db2.gz VVIYOPPPDUWUDA-PMACEKPBSA-N 1 1 450.649 1.786 50 0 JDAAMO CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000023702260 525595082 /nfs/dbraw/zinc/59/50/82/525595082.db2.gz UFKGYJLYWYISOL-ICSRJNTNSA-N 1 1 455.646 1.718 50 0 JDAAMO Cc1ccc(-n2nc(-c3noc(C(=O)NCC[N@@H+](C)Cc4ccccc4)n3)c(=O)n(C)c2=O)cc1 ZINC000045946707 525922600 /nfs/dbraw/zinc/92/26/00/525922600.db2.gz CQNNDFJXINGNQF-UHFFFAOYSA-N 1 1 475.509 1.151 50 0 JDAAMO Cc1c2c(ccc1Cl)[C@]1([NH2+][C@@H]([C@@H](C)O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000035363881 525932496 /nfs/dbraw/zinc/93/24/96/525932496.db2.gz BWMVPJNRGUQRFV-CUUFRBISSA-N 1 1 483.908 1.679 50 0 biogenic JDAAMO Cc1c2c(ccc1Cl)[C@]1([NH2+][C@H]([C@@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000035363895 525933379 /nfs/dbraw/zinc/93/33/79/525933379.db2.gz GOLGTBLFHKRDDP-VBXZMTOYSA-N 1 1 453.926 1.992 50 0 biogenic JDAAMO Cc1c2cnn(CC(=O)NCCC[NH+]3CCOCC3)c(=O)c2c(C)n1Cc1ccccc1F ZINC000020417485 525993427 /nfs/dbraw/zinc/99/34/27/525993427.db2.gz AWWFNGQULCXMNM-UHFFFAOYSA-N 1 1 455.534 1.841 50 0 JDAAMO Cc1c2cnn(CC(=O)NCCC[NH+]3CCN(C)CC3)c(=O)c2c(C)n1Cc1ccc(C)cc1 ZINC000020417150 525993497 /nfs/dbraw/zinc/99/34/97/525993497.db2.gz YYQNEHUCYLYCDJ-UHFFFAOYSA-N 1 1 464.614 1.925 50 0 JDAAMO COc1cccc(Cn2c(=O)c(C(=O)N3CC[NH+](C)CC3)nn(-c3ccc(C)c(C)c3)c2=O)c1 ZINC000036086452 526106973 /nfs/dbraw/zinc/10/69/73/526106973.db2.gz GYCUFUWCOHERMR-UHFFFAOYSA-N 1 1 463.538 1.456 50 0 JDAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CCC(=O)N1CCc2c(c(C(=O)N3CCCCC3)nn2C)C1 ZINC000035457790 526248551 /nfs/dbraw/zinc/24/85/51/526248551.db2.gz LXTJTDPALKHHGK-IBGZPJMESA-N 1 1 472.634 1.702 50 0 JDAAMO O=C(CCN(CCC[NH+]1CCCCC1)S(=O)(=O)c1ccc(F)c(F)c1)N1CCNCC1 ZINC000045945149 526473953 /nfs/dbraw/zinc/47/39/53/526473953.db2.gz IKGLKGKBNMPBOH-UHFFFAOYSA-N 1 1 458.575 1.653 50 0 JDAAMO Cn1c2ccc(S(=O)(=O)N3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)cc2n(C)c(=O)c1=O ZINC000012428037 527103618 /nfs/dbraw/zinc/10/36/18/527103618.db2.gz SLFCXUMWZCYUJY-UHFFFAOYSA-N 1 1 499.980 1.950 50 0 JDAAMO Cn1cc(-c2cc3n(n2)CCC(=O)N3CC(=O)NCCC[NH+]2CCN(C)CC2)c2ccccc21 ZINC000021645630 527130913 /nfs/dbraw/zinc/13/09/13/527130913.db2.gz QDQIAIVRDRIZCU-UHFFFAOYSA-N 1 1 463.586 1.532 50 0 JDAAMO Cn1nc(C(=O)NCCC[NH+]2CCOCC2)c2c1CCN(C(=O)c1cc3ccccc3[nH]1)C2 ZINC000014749580 527543351 /nfs/dbraw/zinc/54/33/51/527543351.db2.gz HAOVSEJIQQQROU-UHFFFAOYSA-N 1 1 450.543 1.552 50 0 JDAAMO Cn1nc(C(=O)NCCC[NH+]2CCOCC2)c2c1CCN(C(=O)c1ccc3cc[nH]c3c1)C2 ZINC000014754120 527543498 /nfs/dbraw/zinc/54/34/98/527543498.db2.gz BVYGEQGXUWRXJM-UHFFFAOYSA-N 1 1 450.543 1.552 50 0 JDAAMO Nn1c(Cc2ccccc2F)nnc1SCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000014780233 527582540 /nfs/dbraw/zinc/58/25/40/527582540.db2.gz FCCPAMJOXFIIRR-UHFFFAOYSA-N 1 1 462.595 1.965 50 0 JDAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 ZINC000022808688 527669917 /nfs/dbraw/zinc/66/99/17/527669917.db2.gz LVXWFGMGMIEJMU-IBGZPJMESA-N 1 1 483.587 1.357 50 0 JDAAMO C[N@H+](CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)Cc1ccccc1N1CCOCC1 ZINC000008747333 554650310 /nfs/dbraw/zinc/65/03/10/554650310.db2.gz JFDHBAZFRXTODU-UHFFFAOYSA-N 1 1 483.588 1.877 50 0 JDAAMO C[N@@H+](CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)Cc1ccccc1N1CCOCC1 ZINC000008747333 554650311 /nfs/dbraw/zinc/65/03/11/554650311.db2.gz JFDHBAZFRXTODU-UHFFFAOYSA-N 1 1 483.588 1.877 50 0 JDAAMO CCn1c(SCC(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@@H]32)nc2c1c(=O)n(C)c(=O)n2C ZINC000008779830 554677294 /nfs/dbraw/zinc/67/72/94/554677294.db2.gz APLKBJAQBJRJIP-AEFFLSMTSA-N 1 1 482.610 1.689 50 0 JDAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000008812315 554693493 /nfs/dbraw/zinc/69/34/93/554693493.db2.gz NYVGLFOMNZUDKZ-QGZVFWFLSA-N 1 1 496.655 1.137 50 0 JDAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)C2CCN(S(=O)(=O)N3CCC4(CC3)OCCO4)CC2)C1 ZINC000008812536 554693931 /nfs/dbraw/zinc/69/39/31/554693931.db2.gz SONHWSGVLCAPOA-IBGZPJMESA-N 1 1 472.652 1.020 50 0 JDAAMO Cn1c2[nH]c(=NN3CC[NH+](C)CC3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000009192564 554965601 /nfs/dbraw/zinc/96/56/01/554965601.db2.gz DTVKSUDPBSDXDZ-UHFFFAOYSA-N 1 1 452.346 1.363 50 0 JDAAMO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)Cc1ccc(F)cc1 ZINC000009217844 554986593 /nfs/dbraw/zinc/98/65/93/554986593.db2.gz PFSGDLZQQKPUDQ-UHFFFAOYSA-N 1 1 477.558 1.952 50 0 JDAAMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)Cc1ccc(F)cc1 ZINC000009217844 554986595 /nfs/dbraw/zinc/98/65/95/554986595.db2.gz PFSGDLZQQKPUDQ-UHFFFAOYSA-N 1 1 477.558 1.952 50 0 JDAAMO CC1CC[NH+](CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)CC1 ZINC000009220781 554989847 /nfs/dbraw/zinc/98/98/47/554989847.db2.gz NJIBNASFPNAWSX-UHFFFAOYSA-N 1 1 450.605 1.978 50 0 JDAAMO CN(C(=O)C[N@H+](C)Cc1ccc(OC(F)F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009283364 555054352 /nfs/dbraw/zinc/05/43/52/555054352.db2.gz JCQPLWFZISHSRB-UHFFFAOYSA-N 1 1 473.480 1.863 50 0 JDAAMO CN(C(=O)C[N@@H+](C)Cc1ccc(OC(F)F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009283364 555054356 /nfs/dbraw/zinc/05/43/56/555054356.db2.gz JCQPLWFZISHSRB-UHFFFAOYSA-N 1 1 473.480 1.863 50 0 JDAAMO CCn1cnc2c1c(=O)n(CC(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)C1)c(=O)n2Cc1ccccc1 ZINC000009313909 555089354 /nfs/dbraw/zinc/08/93/54/555089354.db2.gz LXUNEVUPUAYQOK-JOCHJYFZSA-N 1 1 486.576 1.819 50 0 JDAAMO Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1 ZINC000009365404 555126215 /nfs/dbraw/zinc/12/62/15/555126215.db2.gz MDQIEDMDVLPJDD-UHFFFAOYSA-N 1 1 493.651 1.913 50 0 JDAAMO Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1 ZINC000009365404 555126218 /nfs/dbraw/zinc/12/62/18/555126218.db2.gz MDQIEDMDVLPJDD-UHFFFAOYSA-N 1 1 493.651 1.913 50 0 JDAAMO COc1ccc(OC)c(CCNC(=O)CCc2nnc3ccc(N4CC[NH+](C)CC4)nn32)c1 ZINC000009431036 555199734 /nfs/dbraw/zinc/19/97/34/555199734.db2.gz GNWKHHFFDSIAON-UHFFFAOYSA-N 1 1 453.547 1.185 50 0 JDAAMO COc1cccc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CC[NH+](C)CC2)c1 ZINC000009509026 555296221 /nfs/dbraw/zinc/29/62/21/555296221.db2.gz DLMZPLGLLKQNJQ-UHFFFAOYSA-N 1 1 488.610 1.649 50 0 JDAAMO COc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000009641947 555353485 /nfs/dbraw/zinc/35/34/85/555353485.db2.gz SGELDASMIFCTLD-FQEVSTJZSA-N 1 1 459.568 1.720 50 0 JDAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000013164385 555364910 /nfs/dbraw/zinc/36/49/10/555364910.db2.gz FXFCRSCTGYVHNF-VWLOTQADSA-N 1 1 450.583 1.863 50 0 JDAAMO Cc1ccccc1OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CC[NH+](C)CC1 ZINC000009661908 555366311 /nfs/dbraw/zinc/36/63/11/555366311.db2.gz FSGGHTIUESDAHC-UHFFFAOYSA-N 1 1 488.610 1.785 50 0 JDAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)NCCN4CCOCC4)C3)n2)cc1OC ZINC000013367182 555389371 /nfs/dbraw/zinc/38/93/71/555389371.db2.gz FBHOIJAPTVECTE-SFHVURJKSA-N 1 1 459.547 1.414 50 0 JDAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)NCCN4CCOCC4)C3)n2)cc1OC ZINC000013367182 555389374 /nfs/dbraw/zinc/38/93/74/555389374.db2.gz FBHOIJAPTVECTE-SFHVURJKSA-N 1 1 459.547 1.414 50 0 JDAAMO CCOC(=O)N1CCC([NH2+][C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(F)c(C)c2)CC1 ZINC000013371899 555392588 /nfs/dbraw/zinc/39/25/88/555392588.db2.gz DANHYHMHZDIHOU-ROUUACIJSA-N 1 1 462.565 1.284 50 0 JDAAMO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)Cc1ccccc1N1CCOCC1 ZINC000009605921 555432192 /nfs/dbraw/zinc/43/21/92/555432192.db2.gz ILODYZGODCEKDC-UHFFFAOYSA-N 1 1 472.611 1.488 50 0 JDAAMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)Cc1ccccc1N1CCOCC1 ZINC000009605921 555432196 /nfs/dbraw/zinc/43/21/96/555432196.db2.gz ILODYZGODCEKDC-UHFFFAOYSA-N 1 1 472.611 1.488 50 0 JDAAMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)[NH2+][C@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000013541298 555489260 /nfs/dbraw/zinc/48/92/60/555489260.db2.gz NIYWENHKSUWDEC-YWTZNMIMSA-N 1 1 469.925 1.958 50 0 JDAAMO CN1CCN(C(=O)COCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000019841067 555509025 /nfs/dbraw/zinc/50/90/25/555509025.db2.gz JTENCZZKQDUTNJ-UHFFFAOYSA-N 1 1 450.583 1.711 50 0 JDAAMO CC[NH+]1CCN(C(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)CC1 ZINC000019856583 555516568 /nfs/dbraw/zinc/51/65/68/555516568.db2.gz RAPJHTVBFWILBX-UHFFFAOYSA-N 1 1 451.330 1.221 50 0 JDAAMO COCCCN1C(=O)[C@H]2[C@H]([C@H](O)c3ccc(Cl)cc3)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000013591672 555526221 /nfs/dbraw/zinc/52/62/21/555526221.db2.gz RWDBWHJLHHTLTG-UFUUVDDWSA-N 1 1 469.925 1.831 50 0 JDAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000020004049 555577757 /nfs/dbraw/zinc/57/77/57/555577757.db2.gz TWDGJPMWLJSWML-UHFFFAOYSA-N 1 1 456.568 1.536 50 0 JDAAMO Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(c1ccccc1)=NN3CC[N@@H+](C)Cc1ccccc1 ZINC000010109017 555618743 /nfs/dbraw/zinc/61/87/43/555618743.db2.gz DSBPOXMEBBSVLQ-UHFFFAOYSA-N 1 1 457.538 1.790 50 0 JDAAMO Cc1ccc(CC2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000020112113 555649294 /nfs/dbraw/zinc/64/92/94/555649294.db2.gz PNQMKQHEWLVLHB-VQTJNVASSA-N 1 1 462.550 1.855 50 0 biogenic JDAAMO CCN1CC[NH+](CCCNC(=O)c2ccc3c(c2)[nH]c(=O)n(CCc2ccccc2)c3=O)CC1 ZINC000020117012 555654617 /nfs/dbraw/zinc/65/46/17/555654617.db2.gz XOPJYMUWBFSOMX-UHFFFAOYSA-N 1 1 463.582 1.690 50 0 JDAAMO CCOC(=O)C1=C(C[NH+]2CCC(C(N)=O)CC2)NC(=O)N[C@H]1c1ccc(OC)c(COC)c1 ZINC000013960842 555664836 /nfs/dbraw/zinc/66/48/36/555664836.db2.gz WKKGTZGGFPAHLY-FQEVSTJZSA-N 1 1 460.531 1.210 50 0 JDAAMO O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000014108363 555689532 /nfs/dbraw/zinc/68/95/32/555689532.db2.gz RCYIVPTVQYAWNW-OAQYLSRUSA-N 1 1 496.589 1.412 50 0 JDAAMO O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000014113336 555691250 /nfs/dbraw/zinc/69/12/50/555691250.db2.gz BFXXLMAAWMSDFU-GOSISDBHSA-N 1 1 455.602 1.309 50 0 JDAAMO COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CC[NH+](Cc4ccccc4)CC3)=C2)cc1 ZINC000020219972 555716527 /nfs/dbraw/zinc/71/65/27/555716527.db2.gz DACCHAWGZSJLFT-UHFFFAOYSA-N 1 1 454.552 1.903 50 0 JDAAMO O=C(C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000014167651 555719713 /nfs/dbraw/zinc/71/97/13/555719713.db2.gz UUNXORHQQTUJOV-SFHVURJKSA-N 1 1 462.641 1.840 50 0 JDAAMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1 ZINC000014167739 555720023 /nfs/dbraw/zinc/72/00/23/555720023.db2.gz UYXRRONYSMAJBF-GCJKJVERSA-N 1 1 463.534 1.990 50 0 JDAAMO CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000014232694 555737887 /nfs/dbraw/zinc/73/78/87/555737887.db2.gz LPYABDQERNYMLN-GOSISDBHSA-N 1 1 458.584 1.965 50 0 JDAAMO CCN1c2cc(C(=O)NCCC[NH+]3CCOCC3)ccc2S(=O)(=O)c2ccccc2C1=O ZINC000020242976 555739920 /nfs/dbraw/zinc/73/99/20/555739920.db2.gz QRJWDDTYLOBPGK-UHFFFAOYSA-N 1 1 457.552 1.952 50 0 JDAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCCC4)cc32)C1 ZINC000020279696 555750586 /nfs/dbraw/zinc/75/05/86/555750586.db2.gz HVCSYSQDWVLKND-KDURUIRLSA-N 1 1 492.642 1.681 50 0 JDAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000020287953 555756390 /nfs/dbraw/zinc/75/63/90/555756390.db2.gz KAZOMSNGDQBDIN-IERDGZPVSA-N 1 1 458.584 1.977 50 0 JDAAMO C[C@H](NC(=O)C(=O)NCCN1CCOCC1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288263 555757046 /nfs/dbraw/zinc/75/70/46/555757046.db2.gz MSCZGDYLEVUKRP-REWPJTCUSA-N 1 1 485.654 1.565 50 0 JDAAMO C[C@@H](NC(=O)C(=O)N1CCOCC1)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020288548 555758002 /nfs/dbraw/zinc/75/80/02/555758002.db2.gz NJSMPXQJCIRFPT-DENIHFKCSA-N 1 1 456.612 1.971 50 0 JDAAMO Cn1c(NCCC[NH+]2CCOCC2)nc2c1c(=O)n(Cc1ccc(Cl)cc1Cl)c(=O)n2C ZINC000020328577 555774500 /nfs/dbraw/zinc/77/45/00/555774500.db2.gz KNKVLSZPBXRYLA-UHFFFAOYSA-N 1 1 481.384 1.923 50 0 JDAAMO CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CC[NH+](CC)CC1)C(=O)CS2 ZINC000020355659 555784174 /nfs/dbraw/zinc/78/41/74/555784174.db2.gz VUCKVHLHWXMFLK-UHFFFAOYSA-N 1 1 454.618 1.320 50 0 JDAAMO COc1cccc(N2CCN(c3ccc4nnc(CCC(=O)N5CC[NH+](C)CC5)n4n3)CC2)c1 ZINC000020530475 555797583 /nfs/dbraw/zinc/79/75/83/555797583.db2.gz NVPPTLCKPKIJFX-UHFFFAOYSA-N 1 1 464.574 1.166 50 0 JDAAMO O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000020555924 555808096 /nfs/dbraw/zinc/80/80/96/555808096.db2.gz VHDBZDKWMUNQHX-QFIPXVFZSA-N 1 1 467.545 1.299 50 0 JDAAMO C[NH+]1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000020555906 555808102 /nfs/dbraw/zinc/80/81/02/555808102.db2.gz QVOWBANTKWTUGG-QFIPXVFZSA-N 1 1 465.554 1.382 50 0 JDAAMO CN1C(=O)N(C)C(=O)C2(Cc3ccccc3N3CC[N@H+](Cc4ccc5c(c4)OCO5)C[C@@H]32)C1=O ZINC000020566225 555820587 /nfs/dbraw/zinc/82/05/87/555820587.db2.gz KYYNHGHVZPJXQA-OAQYLSRUSA-N 1 1 462.506 1.699 50 0 JDAAMO CN1C(=O)N(C)C(=O)C2(Cc3ccccc3N3CC[N@@H+](Cc4ccc5c(c4)OCO5)C[C@@H]32)C1=O ZINC000020566225 555820591 /nfs/dbraw/zinc/82/05/91/555820591.db2.gz KYYNHGHVZPJXQA-OAQYLSRUSA-N 1 1 462.506 1.699 50 0 JDAAMO COCCN1C(=O)[C@H]2[C@H]([C@H](O)c3ccc(Cl)cc3)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000020572469 555824234 /nfs/dbraw/zinc/82/42/34/555824234.db2.gz KEECINBCUAKNDE-RRFSAMJTSA-N 1 1 455.898 1.440 50 0 JDAAMO O=C(NCCN1CCNC1=O)[C@@H]1C[C@H](CN2CCOCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014536921 555826090 /nfs/dbraw/zinc/82/60/90/555826090.db2.gz FCNRLSKRNUMQCT-RCZVLFRGSA-N 1 1 479.625 1.752 50 0 JDAAMO C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CC[N@H+](Cc1cccc(OCCO)c1)CC2 ZINC000011812732 555828539 /nfs/dbraw/zinc/82/85/39/555828539.db2.gz ZXCAUFZIQXLWFT-LJQANCHMSA-N 1 1 465.554 1.964 50 0 JDAAMO C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CC[N@H+](Cc1cccc(OCCO)c1)CC2 ZINC000011812733 555828554 /nfs/dbraw/zinc/82/85/54/555828554.db2.gz ZXCAUFZIQXLWFT-IBGZPJMESA-N 1 1 465.554 1.964 50 0 JDAAMO O=C(CNC(=O)c1ccccc1)N1CCC(C(=O)N2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC000020591883 555838381 /nfs/dbraw/zinc/83/83/81/555838381.db2.gz RFNKPUXHOIKRNN-UHFFFAOYSA-N 1 1 463.582 1.437 50 0 JDAAMO CCOC(=O)[C@H]1CCC[N@H+](C2CCN(c3ccc(C(=O)NCCN4CCOCC4)cc3)CC2)C1 ZINC000011913653 555863658 /nfs/dbraw/zinc/86/36/58/555863658.db2.gz YKARJDFHORWQKE-QFIPXVFZSA-N 1 1 472.630 1.993 50 0 JDAAMO O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000011997572 555879481 /nfs/dbraw/zinc/87/94/81/555879481.db2.gz ZRYVEUXIJISFSA-QGZVFWFLSA-N 1 1 453.542 1.462 50 0 JDAAMO Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000011997766 555879654 /nfs/dbraw/zinc/87/96/54/555879654.db2.gz YXOXSTYCYNFRBV-QGZVFWFLSA-N 1 1 467.569 1.770 50 0 JDAAMO CCc1ccc([C@H](CNS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)[NH+](C)C)cc1 ZINC000011997629 555879657 /nfs/dbraw/zinc/87/96/57/555879657.db2.gz JWHZTBLSUKXXHE-FQEVSTJZSA-N 1 1 465.597 1.897 50 0 JDAAMO Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000011997752 555879664 /nfs/dbraw/zinc/87/96/64/555879664.db2.gz XEBAOGBHMWATHR-GOSISDBHSA-N 1 1 451.570 1.643 50 0 JDAAMO CCN(CC)C(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000015276286 555891918 /nfs/dbraw/zinc/89/19/18/555891918.db2.gz FYPKLJZUFDBZSY-UOWZRNCZSA-N 1 1 474.561 1.890 50 0 JDAAMO C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023257408 556035997 /nfs/dbraw/zinc/03/59/97/556035997.db2.gz XILOLHHNUYLBFJ-OAQYLSRUSA-N 1 1 456.612 1.726 50 0 JDAAMO COc1ccccc1CN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000015868801 556046682 /nfs/dbraw/zinc/04/66/82/556046682.db2.gz QHEKPXMSQRJWHJ-UHFFFAOYSA-N 1 1 471.576 1.260 50 0 JDAAMO COc1ccc(S(=O)(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)Cc2ccccc2Cl)cc1 ZINC000015868809 556046774 /nfs/dbraw/zinc/04/67/74/556046774.db2.gz PFWLXVAUEZOTTR-UHFFFAOYSA-N 1 1 488.031 1.775 50 0 JDAAMO O=C(c1ccc(Br)cc1)N(CCS(=O)(=O)N1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000015868781 556046853 /nfs/dbraw/zinc/04/68/53/556046853.db2.gz WZUOMKBOPUDRKR-QGZVFWFLSA-N 1 1 460.394 1.305 50 0 JDAAMO CCCCCN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000015868887 556047065 /nfs/dbraw/zinc/04/70/65/556047065.db2.gz ISSBDCXIDWOPHM-UHFFFAOYSA-N 1 1 482.466 1.865 50 0 JDAAMO COc1ccc(S(=O)(=O)N(CCc2ccccc2)CCS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000015868864 556047071 /nfs/dbraw/zinc/04/70/71/556047071.db2.gz UKHZADKAARTGFQ-UHFFFAOYSA-N 1 1 467.613 1.164 50 0 JDAAMO CC(C)CCN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000015868855 556047087 /nfs/dbraw/zinc/04/70/87/556047087.db2.gz SXMGZDSNTAGJTQ-UHFFFAOYSA-N 1 1 482.466 1.721 50 0 JDAAMO CCCCN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000015868990 556047664 /nfs/dbraw/zinc/04/76/64/556047664.db2.gz KDRWFVNEAWGIAM-UHFFFAOYSA-N 1 1 468.439 1.475 50 0 JDAAMO C[C@@H]1CCCC[N@H+]1CCN(CCS(=O)(=O)N1CCNCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000015868997 556047959 /nfs/dbraw/zinc/04/79/59/556047959.db2.gz OYRAWTYZJPIGBR-GOSISDBHSA-N 1 1 493.095 1.440 50 0 JDAAMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2nc3nccc(C)n3n2)c1 ZINC000012563725 556058859 /nfs/dbraw/zinc/05/88/59/556058859.db2.gz YNXUDKWFGVGURQ-UHFFFAOYSA-N 1 1 486.602 1.467 50 0 JDAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000015890456 556061119 /nfs/dbraw/zinc/06/11/19/556061119.db2.gz PMXGGNXBMDGUKL-OAQYLSRUSA-N 1 1 486.679 1.553 50 0 JDAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1[C@H]2C=C[C@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@@H]13)O2 ZINC000015894247 556061676 /nfs/dbraw/zinc/06/16/76/556061676.db2.gz HUGRUTFDHAQGMM-ZGXDEKTJSA-N 1 1 464.566 1.331 50 0 JDAAMO O=C(CN1CCN(C(=O)C2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)CC1)Nc1ccccc1Cl ZINC000012568945 556070378 /nfs/dbraw/zinc/07/03/78/556070378.db2.gz VRZFEJQKRAZPCB-SFHVURJKSA-N 1 1 483.034 1.322 50 0 JDAAMO CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000023702264 556084145 /nfs/dbraw/zinc/08/41/45/556084145.db2.gz UFKGYJLYWYISOL-UYAOXDASSA-N 1 1 455.646 1.718 50 0 JDAAMO COc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000023762662 556087822 /nfs/dbraw/zinc/08/78/22/556087822.db2.gz FFPZSKZPBCHKDL-UHFFFAOYSA-N 1 1 481.615 1.481 50 0 JDAAMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)[NH2+][C@@]21c2cc(C)cc(C)c2NC1=O ZINC000015959142 556090630 /nfs/dbraw/zinc/09/06/30/556090630.db2.gz UVLDJCCGURYQSV-OIBPMIBVSA-N 1 1 462.506 1.108 50 0 biogenic JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000015958953 556090694 /nfs/dbraw/zinc/09/06/94/556090694.db2.gz PMFKKVJEXDPCGE-UJAPCULTSA-N 1 1 462.506 1.108 50 0 biogenic JDAAMO NC(=O)C[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015959919 556092072 /nfs/dbraw/zinc/09/20/72/556092072.db2.gz ARFUMZSKJWYODQ-QYUDBREXSA-N 1 1 452.898 1.179 50 0 biogenic JDAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)Cc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000023846546 556092092 /nfs/dbraw/zinc/09/20/92/556092092.db2.gz BIMTYHBJKFPDAA-UHFFFAOYSA-N 1 1 486.638 1.484 50 0 JDAAMO NC(=O)C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015959917 556092158 /nfs/dbraw/zinc/09/21/58/556092158.db2.gz ARFUMZSKJWYODQ-FAODYONGSA-N 1 1 452.898 1.179 50 0 biogenic JDAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015967762 556094182 /nfs/dbraw/zinc/09/41/82/556094182.db2.gz IXDSTUKBLMMVOC-DJVOCCORSA-N 1 1 496.907 1.173 50 0 biogenic JDAAMO NC(=O)C[C@@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015968242 556094616 /nfs/dbraw/zinc/09/46/16/556094616.db2.gz FOXOTUJWTVHLJC-XITLKHQFSA-N 1 1 452.898 1.179 50 0 biogenic JDAAMO Cc1c2c(ccc1Cl)[C@]1([NH2+][C@@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000016009780 556108513 /nfs/dbraw/zinc/10/85/13/556108513.db2.gz OQIFGHCCGGCTNG-XQNUDUSMSA-N 1 1 452.898 1.444 50 0 JDAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016009734 556108670 /nfs/dbraw/zinc/10/86/70/556108670.db2.gz POBTUOSSPLAQCR-VGHKVXAASA-N 1 1 470.888 1.584 50 0 JDAAMO Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]31)C(=O)N2 ZINC000016010202 556109686 /nfs/dbraw/zinc/10/96/86/556109686.db2.gz BDRYVDPONKBAAI-XITLKHQFSA-N 1 1 470.888 1.584 50 0 JDAAMO Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]31)C(=O)N2 ZINC000016010204 556109752 /nfs/dbraw/zinc/10/97/52/556109752.db2.gz BDRYVDPONKBAAI-VGHKVXAASA-N 1 1 470.888 1.584 50 0 JDAAMO NC(=O)C[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000016013137 556111992 /nfs/dbraw/zinc/11/19/92/556111992.db2.gz VSKSPZHWNJAIFH-XNGFIGEISA-N 1 1 456.861 1.275 50 0 JDAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016013101 556112066 /nfs/dbraw/zinc/11/20/66/556112066.db2.gz SRVZEVYTLGSSDP-VGHKVXAASA-N 1 1 470.888 1.584 50 0 JDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)[NH2+][C@]32C(=O)Nc3ccc(Cl)cc32)cc1OC ZINC000016022095 556114665 /nfs/dbraw/zinc/11/46/65/556114665.db2.gz XHTCCVSZASATDB-WEFZHDDSSA-N 1 1 499.951 1.701 50 0 JDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)[NH2+][C@]32C(=O)Nc3c2cccc3Cl)cc1OC ZINC000016024681 556115329 /nfs/dbraw/zinc/11/53/29/556115329.db2.gz DGURENURTFDDPW-CHASEMBWSA-N 1 1 499.951 1.701 50 0 JDAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(S(=O)(=O)NCCCN2CCCC2=O)ccc1Cl ZINC000023995121 556115426 /nfs/dbraw/zinc/11/54/26/556115426.db2.gz KXGZKQOYQJXQKJ-UHFFFAOYSA-N 1 1 487.022 1.083 50 0 JDAAMO CN(C)C(=O)C[N@@H+]1CCCN(CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000024676860 556145061 /nfs/dbraw/zinc/14/50/61/556145061.db2.gz KNVUMXOYVBOXSI-UHFFFAOYSA-N 1 1 481.553 1.702 50 0 JDAAMO CN(C)C(=O)C[N@H+]1CCCN(CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000024676860 556145065 /nfs/dbraw/zinc/14/50/65/556145065.db2.gz KNVUMXOYVBOXSI-UHFFFAOYSA-N 1 1 481.553 1.702 50 0 JDAAMO O=C(NCCC[NH+]1CCOCC1)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000024748326 556148393 /nfs/dbraw/zinc/14/83/93/556148393.db2.gz DLSQGGZFWDKUPG-UHFFFAOYSA-N 1 1 472.611 1.650 50 0 JDAAMO COc1ccccc1N1CC[NH+](C[C@H](O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000025329410 556208939 /nfs/dbraw/zinc/20/89/39/556208939.db2.gz OJMJBUWNCPCVSW-FQEVSTJZSA-N 1 1 491.610 1.278 50 0 JDAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000017169502 556230798 /nfs/dbraw/zinc/23/07/98/556230798.db2.gz ASGCDKJZHZIQQM-XMMPIXPASA-N 1 1 498.603 1.039 50 0 JDAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@H](c1cccnc1)N1CCN(c2ccccc2F)CC1 ZINC000017177870 556232739 /nfs/dbraw/zinc/23/27/39/556232739.db2.gz SFWKMNZYDBNPAS-XMMPIXPASA-N 1 1 498.603 1.039 50 0 JDAAMO COC(=O)c1ccc([C@H](c2c(N)n(C)c(=O)n(C)c2=O)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000025784907 556236461 /nfs/dbraw/zinc/23/64/61/556236461.db2.gz HHRINUUNAGLUJG-OAQYLSRUSA-N 1 1 481.528 1.504 50 0 JDAAMO CCOc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H](CC(C)C)[NH+]3CCOCC3)CC2)cc1 ZINC000026304366 556252145 /nfs/dbraw/zinc/25/21/45/556252145.db2.gz WYZFPOCGBWCTJF-HXUWFJFHSA-N 1 1 482.647 1.848 50 0 JDAAMO CCOc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H](CC(C)C)[NH+]3CCOCC3)CC2)cc1 ZINC000026304369 556252155 /nfs/dbraw/zinc/25/21/55/556252155.db2.gz WYZFPOCGBWCTJF-FQEVSTJZSA-N 1 1 482.647 1.848 50 0 JDAAMO CC1(C)C(=O)N(CN2CCCCC2)C(=O)N1CN1C(=O)N(C[NH+]2CCCCC2)C(=O)C1(C)C ZINC000027573087 556299605 /nfs/dbraw/zinc/29/96/05/556299605.db2.gz YJUJXWJFEMCJPW-UHFFFAOYSA-N 1 1 462.595 1.916 50 0 JDAAMO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000013108118 556304815 /nfs/dbraw/zinc/30/48/15/556304815.db2.gz KHKWJTOBDCTMDW-HXUWFJFHSA-N 1 1 459.568 1.991 50 0 JDAAMO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000013108118 556304818 /nfs/dbraw/zinc/30/48/18/556304818.db2.gz KHKWJTOBDCTMDW-HXUWFJFHSA-N 1 1 459.568 1.991 50 0 JDAAMO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000013108120 556304962 /nfs/dbraw/zinc/30/49/62/556304962.db2.gz KHKWJTOBDCTMDW-FQEVSTJZSA-N 1 1 459.568 1.991 50 0 JDAAMO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000013108120 556304965 /nfs/dbraw/zinc/30/49/65/556304965.db2.gz KHKWJTOBDCTMDW-FQEVSTJZSA-N 1 1 459.568 1.991 50 0 JDAAMO CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC[C@@H](C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000029879396 556359703 /nfs/dbraw/zinc/35/97/03/556359703.db2.gz MVDDUEDJYQUFAW-ZACQAIPSSA-N 1 1 478.615 1.786 50 0 JDAAMO CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC[C@@H](C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000029879396 556359706 /nfs/dbraw/zinc/35/97/06/556359706.db2.gz MVDDUEDJYQUFAW-ZACQAIPSSA-N 1 1 478.615 1.786 50 0 JDAAMO COC(=O)c1c(OCCN2CCCC2=O)cc(=O)n2c1CC[N@H+](Cc1cccc(F)c1)CC2 ZINC000019740893 556364098 /nfs/dbraw/zinc/36/40/98/556364098.db2.gz GHCJFSMDKZBLHM-UHFFFAOYSA-N 1 1 457.502 1.834 50 0 JDAAMO COC(=O)c1c(OCCN2CCCC2=O)cc(=O)n2c1CC[N@@H+](Cc1cccc(F)c1)CC2 ZINC000019740893 556364100 /nfs/dbraw/zinc/36/41/00/556364100.db2.gz GHCJFSMDKZBLHM-UHFFFAOYSA-N 1 1 457.502 1.834 50 0 JDAAMO COC(=O)c1ccc(C[N@H+]2CCc3c(C(=O)N4CCC[C@H](O)C4)c(OC)cc(=O)n3CC2)cc1 ZINC000019742445 556365202 /nfs/dbraw/zinc/36/52/02/556365202.db2.gz VVXKTUQABNCINQ-IBGZPJMESA-N 1 1 469.538 1.299 50 0 JDAAMO COC(=O)c1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC[C@H](O)C4)c(OC)cc(=O)n3CC2)cc1 ZINC000019742445 556365206 /nfs/dbraw/zinc/36/52/06/556365206.db2.gz VVXKTUQABNCINQ-IBGZPJMESA-N 1 1 469.538 1.299 50 0 JDAAMO COc1ccccc1C[N@H+]1CCc2c(C(=O)NCCCn3ccnc3)c(OC)cc(=O)n2CC1 ZINC000019745637 556365795 /nfs/dbraw/zinc/36/57/95/556365795.db2.gz NAQZAAHCVFOESE-UHFFFAOYSA-N 1 1 465.554 1.940 50 0 JDAAMO COc1ccccc1C[N@@H+]1CCc2c(C(=O)NCCCn3ccnc3)c(OC)cc(=O)n2CC1 ZINC000019745637 556365799 /nfs/dbraw/zinc/36/57/99/556365799.db2.gz NAQZAAHCVFOESE-UHFFFAOYSA-N 1 1 465.554 1.940 50 0 JDAAMO COc1ccc(N2C[C@H](C(=O)NCC(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2=O)cc1 ZINC000031808713 556405591 /nfs/dbraw/zinc/40/55/91/556405591.db2.gz QSZYKUJUFDWHBS-HXUWFJFHSA-N 1 1 450.539 1.509 50 0 JDAAMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)CC1 ZINC000032666637 556467178 /nfs/dbraw/zinc/46/71/78/556467178.db2.gz YWPLQWFZCHCGMN-MAUKXSAKSA-N 1 1 459.996 1.739 50 0 JDAAMO C[C@@H](OC(=O)c1ccccc1CN1C(=O)CNC1=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000032893210 556524517 /nfs/dbraw/zinc/52/45/17/556524517.db2.gz FLIKXWBCPOODJP-GOSISDBHSA-N 1 1 464.522 1.628 50 0 JDAAMO C[C@@H](OC(=O)c1cccc(CN2C(=O)CNC2=O)c1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000032901758 556529078 /nfs/dbraw/zinc/52/90/78/556529078.db2.gz SSLBSQCCEIOLKR-GOSISDBHSA-N 1 1 464.522 1.628 50 0 JDAAMO Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)CC1)OCC(=O)N2 ZINC000032958670 556573323 /nfs/dbraw/zinc/57/33/23/556573323.db2.gz BDYWRIBOMMVVHZ-QGZVFWFLSA-N 1 1 492.642 1.965 50 0 JDAAMO COc1ccc(N2C[C@@H](NC(=O)NCC[NH+]3CCN(c4ccccc4)CC3)CC2=O)cc1OC ZINC000056946406 569593045 /nfs/dbraw/zinc/59/30/45/569593045.db2.gz URPVSZLTZSFLJI-IBGZPJMESA-N 1 1 467.570 1.931 50 0 JDAAMO CCOC(=O)C1=C(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000057414353 569599736 /nfs/dbraw/zinc/59/97/36/569599736.db2.gz AWBLEXKAZWAXEA-OAQYLSRUSA-N 1 1 469.586 1.664 50 0 JDAAMO CCc1ccc([C@@H]2NC(=O)NC(CN3CCC(C(N)=O)([NH+]4CCCCC4)CC3)=C2C(=O)OC)cc1 ZINC000057415184 569600682 /nfs/dbraw/zinc/60/06/82/569600682.db2.gz JRZYICUGGKKURK-QFIPXVFZSA-N 1 1 483.613 1.836 50 0 JDAAMO CN1C(=O)N(C)C(=O)C(Cc2ccsc2)(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C1=O ZINC000061991209 569609651 /nfs/dbraw/zinc/60/96/51/569609651.db2.gz YNVVPCSYJMWAJB-SJORKVTESA-N 1 1 454.552 1.608 50 0 biogenic JDAAMO CCN1CC[NH+](CCCNC(=O)COCc2nnc(C(=O)Nc3cccc(F)c3)s2)CC1 ZINC000032987742 569609700 /nfs/dbraw/zinc/60/97/00/569609700.db2.gz OLJGUIYUFGKPGC-UHFFFAOYSA-N 1 1 464.567 1.590 50 0 JDAAMO CCn1c(=O)c(N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)c(C)n(-c2ccccc2)c1=O ZINC000032999326 569613671 /nfs/dbraw/zinc/61/36/71/569613671.db2.gz JSSOOFRVUNHWMV-UHFFFAOYSA-N 1 1 483.613 1.382 50 0 JDAAMO NC(=O)C1CC[NH+]([C@@H](C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c2ccccc2)CC1 ZINC000062728326 569614698 /nfs/dbraw/zinc/61/46/98/569614698.db2.gz GBVGVMCOFCKUIG-JOCHJYFZSA-N 1 1 486.594 1.585 50 0 JDAAMO CCOC(=O)CCNC(=O)c1ccc(C[N@@H+]2CCc3c(c(C(=O)N4CCCC4)nn3C)C2)cc1 ZINC000064565648 569619149 /nfs/dbraw/zinc/61/91/49/569619149.db2.gz HJJVKRAEDTXGMY-UHFFFAOYSA-N 1 1 467.570 1.897 50 0 JDAAMO CCOC(=O)CCNC(=O)c1ccc(C[N@H+]2CCc3c(c(C(=O)N4CCCC4)nn3C)C2)cc1 ZINC000064565648 569619150 /nfs/dbraw/zinc/61/91/50/569619150.db2.gz HJJVKRAEDTXGMY-UHFFFAOYSA-N 1 1 467.570 1.897 50 0 JDAAMO COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]c(C)n3)CC2)c(C)c1C ZINC000033318442 569623107 /nfs/dbraw/zinc/62/31/07/569623107.db2.gz QWUPYIOBWYQVAN-UHFFFAOYSA-N 1 1 461.588 1.758 50 0 JDAAMO CCn1c2c(C(=O)NCCCN3CCOCC3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835929 569636584 /nfs/dbraw/zinc/63/65/84/569636584.db2.gz WECCNNLZJKZZFN-UHFFFAOYSA-N 1 1 478.597 1.526 50 0 JDAAMO 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XVUSDMNHIQCVFO-SFHVURJKSA-N 1 1 472.658 1.265 50 0 JDAAMO CCOC(=O)C1=C(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318473 569851737 /nfs/dbraw/zinc/85/17/37/569851737.db2.gz XYKOFNOFXBFVGT-JOCHJYFZSA-N 1 1 483.613 1.972 50 0 JDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](C)O)[NH2+][C@@]32C(=O)Nc3ccc(Cl)cc32)cc1OC ZINC000105351512 569852856 /nfs/dbraw/zinc/85/28/56/569852856.db2.gz XHTCCVSZASATDB-PXLNBCAGSA-N 1 1 499.951 1.701 50 0 JDAAMO Cc1cc2c(c(C)c1)NC(=O)[C@@]21[NH2+][C@@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000105381621 569853001 /nfs/dbraw/zinc/85/30/01/569853001.db2.gz ZOBOOOFWKKFYKT-FYNOMUEKSA-N 1 1 463.490 1.334 50 0 biogenic JDAAMO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000105380894 569853018 /nfs/dbraw/zinc/85/30/18/569853018.db2.gz CPBSHRHZWWGOEB-XYWGMNTOSA-N 1 1 463.490 1.279 50 0 biogenic JDAAMO Cc1cccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000105852023 569853540 /nfs/dbraw/zinc/85/35/40/569853540.db2.gz KLMCRELQORFCRD-NHCUHLMSSA-N 1 1 450.649 1.786 50 0 JDAAMO CCOC(=O)[C@@H]1CCCN(CC2=NC(=O)N[C@@H](c3ccc(O)c(OCC)c3)C2C(=O)OC)C1 ZINC000106615322 569854417 /nfs/dbraw/zinc/85/44/17/569854417.db2.gz RQISWKNEJFQDEQ-QRWLVFNGSA-N 1 1 461.515 1.847 50 0 JDAAMO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccc(C)cc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000107913727 569857886 /nfs/dbraw/zinc/85/78/86/569857886.db2.gz YJFZFCJZWKCSLL-BOCITWAFSA-N 1 1 461.518 1.898 50 0 JDAAMO CCOC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000107913804 569857946 /nfs/dbraw/zinc/85/79/46/569857946.db2.gz SELFMECKQZVAPJ-BOCITWAFSA-N 1 1 461.518 1.979 50 0 JDAAMO CC[C@]12CCC[N@H+]3CC[C@@]4(c5ccc(OC)cc5N(C)[C@@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000108473722 569859501 /nfs/dbraw/zinc/85/95/01/569859501.db2.gz ZMQCYQNIMQXFOW-GHAMSANTSA-N 1 1 458.555 1.865 50 0 biogenic JDAAMO CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CC(=O)N3CCOCC3)C[C@@H]12 ZINC000169678692 569869223 /nfs/dbraw/zinc/86/92/23/569869223.db2.gz ZLXSPTXKUFKJKE-MJGOQNOKSA-N 1 1 454.493 1.363 50 0 JDAAMO CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CC(=O)N3CCOCC3)C[C@@H]12 ZINC000169678692 569869224 /nfs/dbraw/zinc/86/92/24/569869224.db2.gz ZLXSPTXKUFKJKE-MJGOQNOKSA-N 1 1 454.493 1.363 50 0 JDAAMO CC(C)CNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CC(=O)N3CCOCC3)C[C@@H]12 ZINC000169681941 569870941 /nfs/dbraw/zinc/87/09/41/569870941.db2.gz PDKQGTSHJBPYET-CTNGQTDRSA-N 1 1 482.547 1.999 50 0 JDAAMO CC(C)CNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CC(=O)N3CCOCC3)C[C@@H]12 ZINC000169681941 569870942 /nfs/dbraw/zinc/87/09/42/569870942.db2.gz PDKQGTSHJBPYET-CTNGQTDRSA-N 1 1 482.547 1.999 50 0 JDAAMO CCN(CC)C(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](C)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000169697297 569871518 /nfs/dbraw/zinc/87/15/18/569871518.db2.gz FYPKLJZUFDBZSY-ATCQHAHASA-N 1 1 474.561 1.890 50 0 JDAAMO O=C1C=CC(=O)N1CCCCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2ccccc21 ZINC000170621912 569873198 /nfs/dbraw/zinc/87/31/98/569873198.db2.gz PQSTZTIMEYBVQA-GDNALLQQSA-N 1 1 476.533 1.399 50 0 JDAAMO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc1)C2=O ZINC000229764274 570041098 /nfs/dbraw/zinc/04/10/98/570041098.db2.gz KAFPOWARYRQOOT-OSWMTFESSA-N 1 1 455.559 1.823 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]1[C@H](C(=O)NCc1ccccc1)C2 ZINC000230129060 570045475 /nfs/dbraw/zinc/04/54/75/570045475.db2.gz VDSCJVSHDLZWIS-NOZRDPDXSA-N 1 1 478.593 1.533 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@H]1[C@H](C(=O)NCc1ccccc1)C2 ZINC000230129060 570045477 /nfs/dbraw/zinc/04/54/77/570045477.db2.gz VDSCJVSHDLZWIS-NOZRDPDXSA-N 1 1 478.593 1.533 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]1[C@@H](C(=O)Nc1ccc(F)cc1)C2 ZINC000230138182 570045812 /nfs/dbraw/zinc/04/58/12/570045812.db2.gz KAORKOQGGDJJJJ-UPVQGACJSA-N 1 1 482.556 1.995 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@H]1[C@@H](C(=O)Nc1ccc(F)cc1)C2 ZINC000230138182 570045814 /nfs/dbraw/zinc/04/58/14/570045814.db2.gz KAORKOQGGDJJJJ-UPVQGACJSA-N 1 1 482.556 1.995 50 0 JDAAMO CCC[C@@H]1C[C@H](C(=O)N[C@]2([C@H](C)OC(C)=O)O[C@H](SC)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[N@@H+](C)C1 ZINC000239038374 570048597 /nfs/dbraw/zinc/04/85/97/570048597.db2.gz DARVXQDVSMWTSV-MICGPWRUSA-N 1 1 560.666 1.385 50 0 biogenic JDAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000247975099 570071871 /nfs/dbraw/zinc/07/18/71/570071871.db2.gz IHKYZFYUTZQNTO-HZPDHXFCSA-N 1 1 454.556 1.885 50 0 JDAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000247975099 570071873 /nfs/dbraw/zinc/07/18/73/570071873.db2.gz IHKYZFYUTZQNTO-HZPDHXFCSA-N 1 1 454.556 1.885 50 0 JDAAMO CCOC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 ZINC000248121646 570074595 /nfs/dbraw/zinc/07/45/95/570074595.db2.gz SELFMECKQZVAPJ-IFOBJOEFSA-N 1 1 461.518 1.979 50 0 JDAAMO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000250986847 570079272 /nfs/dbraw/zinc/07/92/72/570079272.db2.gz HFCUDACRNPYGEU-JSJNYSNDSA-N 1 1 468.620 1.792 50 0 JDAAMO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000250986847 570079273 /nfs/dbraw/zinc/07/92/73/570079273.db2.gz HFCUDACRNPYGEU-JSJNYSNDSA-N 1 1 468.620 1.792 50 0 JDAAMO NC(=O)C[C@@H](c1cccnc1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000253414431 570098492 /nfs/dbraw/zinc/09/84/92/570098492.db2.gz XMFCRMUCPGWGBS-AYBZRNKSSA-N 1 1 462.506 1.529 50 0 biogenic JDAAMO NC(=O)C[C@@H](c1cccnc1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000253414431 570098493 /nfs/dbraw/zinc/09/84/93/570098493.db2.gz XMFCRMUCPGWGBS-AYBZRNKSSA-N 1 1 462.506 1.529 50 0 biogenic JDAAMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 ZINC000253427015 570098780 /nfs/dbraw/zinc/09/87/80/570098780.db2.gz KJQIKCQWRXCUEZ-SFHVURJKSA-N 1 1 474.023 1.546 50 0 JDAAMO CCOc1ccc(CC2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000263586087 570171500 /nfs/dbraw/zinc/17/15/00/570171500.db2.gz PWNCOATXLAOFTP-VQTJNVASSA-N 1 1 492.576 1.946 50 0 JDAAMO COCC[NH+]1CCN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(Cc3cccnc3)C2=O)CC1 ZINC000299765288 570175182 /nfs/dbraw/zinc/17/51/82/570175182.db2.gz DZGNDAZLEYGORI-RUZDIDTESA-N 1 1 450.539 1.459 50 0 JDAAMO COc1cc(C[N@H+]2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)cc(OC)c1O ZINC000299779115 570176261 /nfs/dbraw/zinc/17/62/61/570176261.db2.gz JUCJFYKHMFPZJR-UHFFFAOYSA-N 1 1 481.553 1.797 50 0 JDAAMO COc1cc(C[N@@H+]2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)cc(OC)c1O ZINC000299779115 570176262 /nfs/dbraw/zinc/17/62/62/570176262.db2.gz JUCJFYKHMFPZJR-UHFFFAOYSA-N 1 1 481.553 1.797 50 0 JDAAMO CC[C@]12CCC[N@H+]3CC[C@@]4(c5ccc(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32 ZINC000390822469 570185393 /nfs/dbraw/zinc/18/53/93/570185393.db2.gz ZMQCYQNIMQXFOW-YHGKRWFNSA-N 1 1 458.555 1.865 50 0 JDAAMO CCCCn1c(N)c(N(CCOC)C(=O)C[N@H+]2CC=C(c3ccccc3)CC2)c(=O)[nH]c1=O ZINC000003290839 194267183 /nfs/dbraw/zinc/26/71/83/194267183.db2.gz DKDSJNKWHJMBQP-UHFFFAOYSA-N 1 1 455.559 1.688 50 0 JDAAMO CCCCn1c(N)c(N(CCOC)C(=O)C[N@@H+]2CC=C(c3ccccc3)CC2)c(=O)[nH]c1=O ZINC000003290839 194267185 /nfs/dbraw/zinc/26/71/85/194267185.db2.gz DKDSJNKWHJMBQP-UHFFFAOYSA-N 1 1 455.559 1.688 50 0 JDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c2c1=O ZINC000004110501 194379118 /nfs/dbraw/zinc/37/91/18/194379118.db2.gz LSJYKAZFZRVSTK-QGZVFWFLSA-N 1 1 495.671 1.788 50 0 JDAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)C1CCN(C(=O)c2ccco2)CC1 ZINC000012594427 195042946 /nfs/dbraw/zinc/04/29/46/195042946.db2.gz VNEGLFNAPPYAJG-UHFFFAOYSA-N 1 1 452.555 1.935 50 0 JDAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000012780903 195124480 /nfs/dbraw/zinc/12/44/80/195124480.db2.gz FRMKVOKKZXEFJW-NQIIRXRSSA-N 1 1 451.589 1.898 50 0 JDAAMO O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000012793443 195133954 /nfs/dbraw/zinc/13/39/54/195133954.db2.gz VXKZFPHIDQVDEN-SFHVURJKSA-N 1 1 455.602 1.309 50 0 JDAAMO CN(CC(=O)N1CCN(C(=O)c2cccs2)CC1)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012810239 195144020 /nfs/dbraw/zinc/14/40/20/195144020.db2.gz SCHZGEYXTBFZTM-UHFFFAOYSA-N 1 1 483.638 1.309 50 0 JDAAMO O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012882668 195169188 /nfs/dbraw/zinc/16/91/88/195169188.db2.gz AEMKCJOUUUNURC-VHFIJRQBSA-N 1 1 468.623 1.995 50 0 JDAAMO CC[NH+]1CCN(C(=O)CNC(=O)C2CCC(CNS(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000020646927 195195220 /nfs/dbraw/zinc/19/52/20/195195220.db2.gz LCRVDUJYACBPFO-UHFFFAOYSA-N 1 1 485.050 1.705 50 0 JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@]32c3cc(Cl)cc(C)c3NC2=O)cc1 ZINC000020610534 195183662 /nfs/dbraw/zinc/18/36/62/195183662.db2.gz RTLALERPMMDQFG-NARGUJOISA-N 1 1 482.924 1.453 50 0 biogenic JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@]32c3ccc(Cl)c(C)c3NC2=O)cc1 ZINC000020611756 195185888 /nfs/dbraw/zinc/18/58/88/195185888.db2.gz BMDTUJQSZRATGT-SYSFZUQMSA-N 1 1 482.924 1.453 50 0 biogenic JDAAMO CCN1CC[NH+](CCCNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCCCC4)cc32)CC1 ZINC000020683532 195204493 /nfs/dbraw/zinc/20/44/93/195204493.db2.gz NJISSFGXJKOTAC-UHFFFAOYSA-N 1 1 489.642 1.460 50 0 JDAAMO Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC[NH+]1CCN(Cc2ccccc2F)CC1 ZINC000020816380 195229468 /nfs/dbraw/zinc/22/94/68/195229468.db2.gz MXTSMACBPWDSMN-UHFFFAOYSA-N 1 1 453.522 1.250 50 0 JDAAMO COc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)cc1 ZINC000020765756 195221049 /nfs/dbraw/zinc/22/10/49/195221049.db2.gz SMYHFOLFUTTZAA-UHFFFAOYSA-N 1 1 453.605 1.618 50 0 JDAAMO COCCC[N@@H+](CCNC(=O)CN(C)c1nnc(N2CCCC2=O)s1)Cc1ccco1 ZINC000021026173 195268673 /nfs/dbraw/zinc/26/86/73/195268673.db2.gz FARJUEYXGRRDSV-UHFFFAOYSA-N 1 1 450.565 1.349 50 0 JDAAMO COc1ccc(-c2noc(N3CCC(C(=O)NCCC[NH+]4CCOCC4)CC3)n2)cc1OC ZINC000021103388 195276874 /nfs/dbraw/zinc/27/68/74/195276874.db2.gz RSMFMZULVDSVID-UHFFFAOYSA-N 1 1 459.547 1.809 50 0 JDAAMO O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021146506 195281385 /nfs/dbraw/zinc/28/13/85/195281385.db2.gz LAFOIALMXRLCDO-UHFFFAOYSA-N 1 1 484.578 1.723 50 0 JDAAMO CC[N@@H+](CCCNC(=O)C1=C(C)C(=O)OC12CCN(S(C)(=O)=O)CC2)Cc1ccccc1 ZINC000021887570 195325180 /nfs/dbraw/zinc/32/51/80/195325180.db2.gz RQTZUHKWZAFOLO-UHFFFAOYSA-N 1 1 463.600 1.682 50 0 biogenic JDAAMO C[N@@H+](CCCN1CCOCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)CC1 ZINC000021888027 195325603 /nfs/dbraw/zinc/32/56/03/195325603.db2.gz NAKQORFKHFSBCB-UHFFFAOYSA-N 1 1 464.632 1.769 50 0 JDAAMO CCC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000021926078 195334456 /nfs/dbraw/zinc/33/44/56/195334456.db2.gz HYXYCVHHZIRZTK-JOCHJYFZSA-N 1 1 492.642 1.367 50 0 JDAAMO O=C(CN1C(=O)CN(C(=O)NCc2ccccc2)c2ccccc21)NCCC[NH+]1CCOCC1 ZINC000021943335 195339740 /nfs/dbraw/zinc/33/97/40/195339740.db2.gz PUKDIQMJKZDCSI-UHFFFAOYSA-N 1 1 465.554 1.588 50 0 JDAAMO CCn1c2ccccc2n(CC(=O)NCC[NH+]2CCN(c3cccc(C)c3C)CC2)c(=O)c1=O ZINC000021944102 195339907 /nfs/dbraw/zinc/33/99/07/195339907.db2.gz QDZFLZQGVKAFAA-UHFFFAOYSA-N 1 1 463.582 1.738 50 0 JDAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)Cn3c4ccccc4n(C)c(=O)c3=O)C[C@@H]2C)c1 ZINC000021943820 195340035 /nfs/dbraw/zinc/34/00/35/195340035.db2.gz ZKTSICPCGASZTL-FQEVSTJZSA-N 1 1 463.582 1.726 50 0 JDAAMO Cn1c2ccccc2n(CC(=O)NCCC[N@H+](Cc2cccs2)C[C@H]2CCCO2)c(=O)c1=O ZINC000021943833 195340061 /nfs/dbraw/zinc/34/00/61/195340061.db2.gz GSEIMRFLFYDBQJ-GOSISDBHSA-N 1 1 470.595 1.949 50 0 JDAAMO COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CC[NH+](C4CCCC4)CC3)cc21 ZINC000057997421 195361530 /nfs/dbraw/zinc/36/15/30/195361530.db2.gz COYJBTMQGOSMJU-UHFFFAOYSA-N 1 1 453.586 1.547 50 0 JDAAMO CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2C[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000058310240 195377033 /nfs/dbraw/zinc/37/70/33/195377033.db2.gz XUUJNJOEDYANFC-OAQYLSRUSA-N 1 1 474.583 1.842 50 0 JDAAMO CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2C[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000058310240 195377035 /nfs/dbraw/zinc/37/70/35/195377035.db2.gz XUUJNJOEDYANFC-OAQYLSRUSA-N 1 1 474.583 1.842 50 0 JDAAMO CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2C[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000058310246 195377077 /nfs/dbraw/zinc/37/70/77/195377077.db2.gz XUUJNJOEDYANFC-NRFANRHFSA-N 1 1 474.583 1.842 50 0 JDAAMO CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2C[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000058310246 195377078 /nfs/dbraw/zinc/37/70/78/195377078.db2.gz XUUJNJOEDYANFC-NRFANRHFSA-N 1 1 474.583 1.842 50 0 JDAAMO CC(C)C(=O)N1CCC2(CC1)OC[C@H](C(=O)N1CC[NH+](C)CC1)N2C(=O)c1ccc(F)cc1 ZINC000096277574 130017949 /nfs/dbraw/zinc/01/79/49/130017949.db2.gz LHQJMABGHBOLRA-HXUWFJFHSA-N 1 1 460.550 1.415 50 0 JDAAMO CC(C)OC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3ccc4c(c3)OCO4)co2)CC1 ZINC000034677201 519772263 /nfs/dbraw/zinc/77/22/63/519772263.db2.gz GDDUBBHVLUBABQ-SFHVURJKSA-N 1 1 460.531 1.237 50 0 JDAAMO CCCC[N@@H+](C)CCCNC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000008812599 520401975 /nfs/dbraw/zinc/40/19/75/520401975.db2.gz NRRJYHMVALQMIP-UHFFFAOYSA-N 1 1 460.641 1.020 50 0 JDAAMO CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1CCCCN21 ZINC000064966467 520811446 /nfs/dbraw/zinc/81/14/46/520811446.db2.gz SOYBWMBBGAMRHU-FQEVSTJZSA-N 1 1 477.631 1.197 50 0 JDAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)CC1 ZINC000033263196 521666311 /nfs/dbraw/zinc/66/63/11/521666311.db2.gz FXPFYZHCOKYUCD-OAHLLOKOSA-N 1 1 474.562 1.946 50 0 JDAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)cs3)C2)CC1 ZINC000033279269 521668347 /nfs/dbraw/zinc/66/83/47/521668347.db2.gz MPUURHWZDNANPO-OAHLLOKOSA-N 1 1 453.590 1.671 50 0 JDAAMO CCN1CC[NH+](CCCNC(=O)C2CCN(c3c(C)n(-c4ccccc4)c(=O)n(C)c3=O)CC2)CC1 ZINC000033258760 521680365 /nfs/dbraw/zinc/68/03/65/521680365.db2.gz DXZLZIXSGDPTCS-UHFFFAOYSA-N 1 1 496.656 1.205 50 0 JDAAMO CCN1CC[NH+](CCCNC(=O)[C@@H]2CCCN(c3nn4c(nc5c(c4=O)CCCC5)s3)C2)CC1 ZINC000021664019 521680725 /nfs/dbraw/zinc/68/07/25/521680725.db2.gz AECKSHSLSFXGAT-GOSISDBHSA-N 1 1 487.674 1.390 50 0 JDAAMO CC[N@@H+]1CCc2c(sc(NC(=S)NC(=O)c3c(Br)cnn3C)c2C(N)=O)C1 ZINC000002100376 521724682 /nfs/dbraw/zinc/72/46/82/521724682.db2.gz ZAYBVMVNKZEOTF-UHFFFAOYSA-N 1 1 471.406 1.848 50 0 JDAAMO CC[N@H+]1CCc2c(sc(NC(=S)NC(=O)c3c(Br)cnn3C)c2C(N)=O)C1 ZINC000002100376 521724684 /nfs/dbraw/zinc/72/46/84/521724684.db2.gz ZAYBVMVNKZEOTF-UHFFFAOYSA-N 1 1 471.406 1.848 50 0 JDAAMO COC(=O)c1c(OC[C@H]2CC(=O)N(C)C2)cc(=O)n2c1CC[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000014960376 521780244 /nfs/dbraw/zinc/78/02/44/521780244.db2.gz QCOAGSMHTNEUGI-IBGZPJMESA-N 1 1 453.539 1.859 50 0 JDAAMO CC[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064971032 521836903 /nfs/dbraw/zinc/83/69/03/521836903.db2.gz GMDHEZVYPCLWPG-NRFANRHFSA-N 1 1 465.602 1.904 50 0 JDAAMO COc1cc(/C=C/C(=O)OCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)ccc1OCC(N)=O ZINC000023995681 521934940 /nfs/dbraw/zinc/93/49/40/521934940.db2.gz KYIVWGCQPMOAJR-VQHVLOKHSA-N 1 1 497.548 1.264 50 0 JDAAMO COc1cc(C(=O)N(CC[N@@H+]2CCCC[C@@H]2C)CC(=O)N2CCNCC2)cc(OC)c1OC ZINC000033032728 522062314 /nfs/dbraw/zinc/06/23/14/522062314.db2.gz RKZVULAIDZFENW-SFHVURJKSA-N 1 1 462.591 1.461 50 0 JDAAMO COc1cc(C(=O)N(CC[N@H+]2CCCC[C@@H]2C)CC(=O)N2CCNCC2)cc(OC)c1OC ZINC000033032728 522062328 /nfs/dbraw/zinc/06/23/28/522062328.db2.gz RKZVULAIDZFENW-SFHVURJKSA-N 1 1 462.591 1.461 50 0 JDAAMO COC(=O)c1ccc(N2C(=O)C[C@H](N3CC[NH+](CCc4ccc(OC)cc4)CC3)C2=O)cc1 ZINC000022818951 522079726 /nfs/dbraw/zinc/07/97/26/522079726.db2.gz NWGPDALHWGJNRU-QFIPXVFZSA-N 1 1 451.523 1.974 50 0 JDAAMO COC(=O)c1nnn([C@H]2C[C@@H](C(=O)NCc3ccco3)[N@H+](C3CCCCC3)C2)c1C(=O)OC ZINC000014978547 522400368 /nfs/dbraw/zinc/40/03/68/522400368.db2.gz QVJKRNIBBMPMJE-RDJZCZTQSA-N 1 1 459.503 1.709 50 0 JDAAMO C[N@@H+](CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc21)Cc1ccccc1 ZINC000008662042 522860081 /nfs/dbraw/zinc/86/00/81/522860081.db2.gz NCKZRXWFDHWMMT-UHFFFAOYSA-N 1 1 484.578 1.411 50 0 JDAAMO CCn1c(=O)c(-c2noc(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)n2)nn(-c2ccc(C)cc2)c1=O ZINC000045946462 523096885 /nfs/dbraw/zinc/09/68/85/523096885.db2.gz IBPVEUMWOWWTBU-QGZVFWFLSA-N 1 1 481.557 1.624 50 0 JDAAMO COc1ccc(-c2cc3c(=O)n(CC(=O)N4CC[NH+](Cc5ccccc5)CC4)ncn3n2)cc1 ZINC000020466341 523119096 /nfs/dbraw/zinc/11/90/96/523119096.db2.gz XOEVKSBQTWCRGR-UHFFFAOYSA-N 1 1 458.522 1.911 50 0 JDAAMO CCn1c2c(C(=O)N3CCOCC3)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000064967769 523252198 /nfs/dbraw/zinc/25/21/98/523252198.db2.gz FWJDPPGOLKECSO-UHFFFAOYSA-N 1 1 451.527 1.555 50 0 JDAAMO CCn1c2c(C(=O)N3CCOCC3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000064967769 523252211 /nfs/dbraw/zinc/25/22/11/523252211.db2.gz FWJDPPGOLKECSO-UHFFFAOYSA-N 1 1 451.527 1.555 50 0 JDAAMO CCn1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CC[NH+](CC)CC4)CC3)cc2sc1=O ZINC000065022183 523267205 /nfs/dbraw/zinc/26/72/05/523267205.db2.gz HQTYVIIOLYDMHR-UHFFFAOYSA-N 1 1 466.629 1.648 50 0 JDAAMO COCCCNC(=O)c1cnc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000033278228 523371559 /nfs/dbraw/zinc/37/15/59/523371559.db2.gz PHRXBSBHGPOZCG-UHFFFAOYSA-N 1 1 451.524 1.197 50 0 JDAAMO CC[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064971035 523774440 /nfs/dbraw/zinc/77/44/40/523774440.db2.gz GMDHEZVYPCLWPG-OAQYLSRUSA-N 1 1 465.602 1.904 50 0 JDAAMO C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCCCCC4)cs3)CC2)CC1 ZINC000064946728 523866604 /nfs/dbraw/zinc/86/66/04/523866604.db2.gz QJCNENZKNKTMJF-UHFFFAOYSA-N 1 1 482.672 1.939 50 0 JDAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(=O)NCCO)CC3)[C@@H](c3ccco3)C2)cc1 ZINC000048302714 523874916 /nfs/dbraw/zinc/87/49/16/523874916.db2.gz UMVIYEXVBLAJTP-OAQYLSRUSA-N 1 1 454.527 1.786 50 0 JDAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(=O)NCCO)CC3)[C@H](c3ccco3)C2)cc1 ZINC000048302713 523875069 /nfs/dbraw/zinc/87/50/69/523875069.db2.gz UMVIYEXVBLAJTP-NRFANRHFSA-N 1 1 454.527 1.786 50 0 JDAAMO C[NH+]1CCN(C(=O)c2nn(-c3ccccc3)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)CC1 ZINC000036085971 523885497 /nfs/dbraw/zinc/88/54/97/523885497.db2.gz BULHUBZKMPIGPL-UHFFFAOYSA-N 1 1 473.455 1.849 50 0 JDAAMO C[NH+]1CCN([C@@H](CNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c2cccs2)CC1 ZINC000048324739 523918898 /nfs/dbraw/zinc/91/88/98/523918898.db2.gz SACNHRWNTBFGJQ-CYFREDJKSA-N 1 1 467.595 1.546 50 0 JDAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)Cc2cccc(F)c2)CC1 ZINC000014868802 523928390 /nfs/dbraw/zinc/92/83/90/523928390.db2.gz ANPDCBBEKFIOKL-UHFFFAOYSA-N 1 1 476.574 1.780 50 0 JDAAMO COc1ccc(C[N@H+]2C[C@@H](CN3CCOCC3)C[C@@H](C(=O)NC[C@@H]3CCCO3)C2)cc1OC ZINC000014744603 524041842 /nfs/dbraw/zinc/04/18/42/524041842.db2.gz DVQKVQTWLVRJFW-VSKRKVRLSA-N 1 1 461.603 1.769 50 0 JDAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CCC(=O)N1CCc2c(c(C(=O)N3CCCCC3)nn2C)C1 ZINC000035457786 524108236 /nfs/dbraw/zinc/10/82/36/524108236.db2.gz LXTJTDPALKHHGK-LJQANCHMSA-N 1 1 472.634 1.702 50 0 JDAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022788793 524259263 /nfs/dbraw/zinc/25/92/63/524259263.db2.gz BPOFNVJFGZCGNM-IBGZPJMESA-N 1 1 493.674 1.721 50 0 JDAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022788793 524259270 /nfs/dbraw/zinc/25/92/70/524259270.db2.gz BPOFNVJFGZCGNM-IBGZPJMESA-N 1 1 493.674 1.721 50 0 JDAAMO Cc1cc(C)c(S(=O)(=O)N(CCC[NH+]2CCCC2)CCC(=O)N2CCNCC2)cc1C ZINC000045945220 524313858 /nfs/dbraw/zinc/31/38/58/524313858.db2.gz JHWZJASNSCLMIN-UHFFFAOYSA-N 1 1 450.649 1.910 50 0 JDAAMO COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000011904190 524386997 /nfs/dbraw/zinc/38/69/97/524386997.db2.gz PUXAFPOZFKTIIE-SFHVURJKSA-N 1 1 481.596 1.651 50 0 JDAAMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)[NH2+][C@]21c2ccc(Cl)c(C)c2NC1=O ZINC000020519588 524444601 /nfs/dbraw/zinc/44/46/01/524444601.db2.gz MAGHCENZLGOWSY-PAXILDSZSA-N 1 1 482.924 1.453 50 0 JDAAMO Cc1ccc(Cn2c(=O)c(C(=O)N3CC[NH+](C)CC3)nn(-c3cccc(Cl)c3)c2=O)cc1 ZINC000036087426 524762007 /nfs/dbraw/zinc/76/20/07/524762007.db2.gz DAXMBZVQPQBKMN-UHFFFAOYSA-N 1 1 453.930 1.792 50 0 JDAAMO Cc1ccc(N(CC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)S(=O)(=O)N(C)C)cc1 ZINC000033269477 524892134 /nfs/dbraw/zinc/89/21/34/524892134.db2.gz GSTXNDSPWCHDFA-UHFFFAOYSA-N 1 1 487.670 1.932 50 0 JDAAMO COc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000045945389 525013098 /nfs/dbraw/zinc/01/30/98/525013098.db2.gz WKZJXTWYJWYUIV-PMACEKPBSA-N 1 1 466.648 1.486 50 0 JDAAMO C[C@@H]1C[C@@H](C)C[NH+](CCN(CCC(=O)N2CCNCC2)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000045945376 525211180 /nfs/dbraw/zinc/21/11/80/525211180.db2.gz OXABUWHYFTZZKZ-RTBURBONSA-N 1 1 454.612 1.616 50 0 JDAAMO C[C@@H]1C[C@H](C)C[N@@H+](CCN(CCC(=O)N2CCNCC2)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000045945369 525383775 /nfs/dbraw/zinc/38/37/75/525383775.db2.gz OXABUWHYFTZZKZ-KDURUIRLSA-N 1 1 454.612 1.616 50 0 JDAAMO C[C@@H]1C[C@H](C)C[N@H+](CCN(CCC(=O)N2CCNCC2)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000045945369 525383780 /nfs/dbraw/zinc/38/37/80/525383780.db2.gz OXABUWHYFTZZKZ-KDURUIRLSA-N 1 1 454.612 1.616 50 0 JDAAMO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000045945411 525511336 /nfs/dbraw/zinc/51/13/36/525511336.db2.gz AXIAISIXUGHTTL-SFTDATJTSA-N 1 1 450.649 1.786 50 0 JDAAMO 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/nfs/dbraw/zinc/65/41/58/555654158.db2.gz FDVCJPKQKOSRMW-HZPDHXFCSA-N 1 1 495.671 1.597 50 0 JDAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)CC[C@H]1N1CCOCC1 ZINC000020149160 555664675 /nfs/dbraw/zinc/66/46/75/555664675.db2.gz JPBJLROXUFDCAE-NZQKXSOJSA-N 1 1 456.587 1.960 50 0 JDAAMO C[N@@H+](CCNC(=O)C1CCN(S(=O)(=O)c2cccc3nonc32)CC1)Cc1ccccc1 ZINC000020152635 555670505 /nfs/dbraw/zinc/67/05/05/555670505.db2.gz KBIGMAPBMVZKFR-UHFFFAOYSA-N 1 1 457.556 1.872 50 0 JDAAMO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)Cc1ccccc1 ZINC000014186293 555727573 /nfs/dbraw/zinc/72/75/73/555727573.db2.gz LZSBRQUAMOUQBW-UHFFFAOYSA-N 1 1 459.568 1.813 50 0 JDAAMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)Cc1ccccc1 ZINC000014186293 555727575 /nfs/dbraw/zinc/72/75/75/555727575.db2.gz LZSBRQUAMOUQBW-UHFFFAOYSA-N 1 1 459.568 1.813 50 0 JDAAMO CC[NH+]1CCN(CCNC(=O)C[S@@](=O)Cc2nc(-c3ccc(OC)c(OC)c3)oc2C)CC1 ZINC000020241744 555737263 /nfs/dbraw/zinc/73/72/63/555737263.db2.gz ACSJEVNGXQRTQP-MGBGTMOVSA-N 1 1 478.615 1.670 50 0 JDAAMO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000014232698 555737843 /nfs/dbraw/zinc/73/78/43/555737843.db2.gz LPYABDQERNYMLN-SFHVURJKSA-N 1 1 458.584 1.965 50 0 JDAAMO Cc1cc(=O)c(C(=O)N2CCN(C)CC2)c(Cc2cccc(F)c2)n1CCC[NH+]1CCOCC1 ZINC000020272126 555749283 /nfs/dbraw/zinc/74/92/83/555749283.db2.gz PUQCWWWJMYWCMK-UHFFFAOYSA-N 1 1 470.589 1.997 50 0 JDAAMO COc1ccc(CC(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000014247808 555751311 /nfs/dbraw/zinc/75/13/11/555751311.db2.gz KTVBDWQRUIJGFJ-SFHVURJKSA-N 1 1 453.605 1.639 50 0 JDAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000020287961 555756485 /nfs/dbraw/zinc/75/64/85/555756485.db2.gz KAZOMSNGDQBDIN-HRAATJIYSA-N 1 1 458.584 1.977 50 0 JDAAMO CCOc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2CC[NH+]2CCOCC2)cc1Cl ZINC000020312374 555769846 /nfs/dbraw/zinc/76/98/46/555769846.db2.gz CUOWDSVLNIWUAO-UHFFFAOYSA-N 1 1 486.960 1.738 50 0 JDAAMO Cn1c2nc(NCCC[NH+]3CCOCC3)n(Cc3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000020331043 555776266 /nfs/dbraw/zinc/77/62/66/555776266.db2.gz JCNPPYPLAIDCAI-UHFFFAOYSA-N 1 1 491.390 1.379 50 0 JDAAMO CC[NH+]1CCN(C(=O)CN2c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3SCC2=O)CC1 ZINC000020355667 555784482 /nfs/dbraw/zinc/78/44/82/555784482.db2.gz BTQIASHDICBEOZ-UHFFFAOYSA-N 1 1 480.656 1.710 50 0 JDAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)C[C@H](C)O1 ZINC000014334637 555795098 /nfs/dbraw/zinc/79/50/98/555795098.db2.gz JDJFNHHOEMLBSN-CALCHBBNSA-N 1 1 479.647 1.760 50 0 JDAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)C[C@H](C)O1 ZINC000014334637 555795100 /nfs/dbraw/zinc/79/51/00/555795100.db2.gz JDJFNHHOEMLBSN-CALCHBBNSA-N 1 1 479.647 1.760 50 0 JDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](C)O)[NH2+][C@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000020548499 555806684 /nfs/dbraw/zinc/80/66/84/555806684.db2.gz FTFKQTHVMIFSQO-UWIPCYHJSA-N 1 1 483.496 1.187 50 0 JDAAMO COc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020555930 555808092 /nfs/dbraw/zinc/80/80/92/555808092.db2.gz TYXVMKBWMFTWCW-QHCPKHFHSA-N 1 1 479.581 1.169 50 0 JDAAMO COc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020555933 555808106 /nfs/dbraw/zinc/80/81/06/555808106.db2.gz TYXVMKBWMFTWCW-HSZRJFAPSA-N 1 1 479.581 1.169 50 0 JDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1CN(C(=O)Cc1ccc(OC)cc1)CC2 ZINC000014531413 555818650 /nfs/dbraw/zinc/81/86/50/555818650.db2.gz GAUUEZOEVNXSBB-FQEVSTJZSA-N 1 1 483.613 1.880 50 0 JDAAMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)CC2)CC1 ZINC000020578095 555832802 /nfs/dbraw/zinc/83/28/02/555832802.db2.gz IFQPRFYMMDLGQD-OAHLLOKOSA-N 1 1 466.629 1.684 50 0 JDAAMO O=C(Cn1c(=O)c2cccnc2[nH]c1=S)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000020618273 555845558 /nfs/dbraw/zinc/84/55/58/555845558.db2.gz JSALYQVMCWXZAJ-UHFFFAOYSA-N 1 1 456.547 1.548 50 0 JDAAMO Cc1ccc([C@H](CNS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)[NH+](C)C)cc1 ZINC000011904122 555852590 /nfs/dbraw/zinc/85/25/90/555852590.db2.gz UVOHWENGIUVNFM-IBGZPJMESA-N 1 1 451.570 1.643 50 0 JDAAMO COc1ccc([C@H](CNS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)[NH+](C)C)cc1 ZINC000011997593 555879280 /nfs/dbraw/zinc/87/92/80/555879280.db2.gz GITWVKMQNKJQMA-IBGZPJMESA-N 1 1 467.569 1.343 50 0 JDAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000011997609 555879459 /nfs/dbraw/zinc/87/94/59/555879459.db2.gz MRUAFNAGSBCBAO-GOSISDBHSA-N 1 1 471.988 1.988 50 0 JDAAMO COc1ccc([C@@H](CNS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)[NH+](C)C)cc1OC ZINC000011997612 555879773 /nfs/dbraw/zinc/87/97/73/555879773.db2.gz JVPVBLMAVWRWEF-GOSISDBHSA-N 1 1 497.595 1.352 50 0 JDAAMO COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000011997900 555880100 /nfs/dbraw/zinc/88/01/00/555880100.db2.gz SZWYWWIXSAIBTA-QGZVFWFLSA-N 1 1 467.569 1.343 50 0 JDAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1)c1ccccc1 ZINC000011997961 555880324 /nfs/dbraw/zinc/88/03/24/555880324.db2.gz XCJCRNZBFJCFHH-IBGZPJMESA-N 1 1 465.597 1.970 50 0 JDAAMO COc1ccc([C@H](CNS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2OC)[NH+](C)C)cc1 ZINC000011997947 555880447 /nfs/dbraw/zinc/88/04/47/555880447.db2.gz WWPGDNVNSACDJP-SFHVURJKSA-N 1 1 497.595 1.352 50 0 JDAAMO COc1ccc([C@@H](CNS(=O)(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)[NH+](C)C)cc1 ZINC000011997993 555880492 /nfs/dbraw/zinc/88/04/92/555880492.db2.gz XSOJWZURADIOIY-HXUWFJFHSA-N 1 1 495.623 1.979 50 0 JDAAMO COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N4CC[NH+](C)CC4)cc1)N(C)CC3)OCO2 ZINC000015414748 555906172 /nfs/dbraw/zinc/90/61/72/555906172.db2.gz YCNZDDKPUKKUQJ-NRFANRHFSA-N 1 1 491.552 1.365 50 0 biogenic JDAAMO COCc1ccc(C(=O)NCc2nnc3n2CC[N@H+](Cc2ccc(OCCO)cc2)CC3)o1 ZINC000012150039 555922118 /nfs/dbraw/zinc/92/21/18/555922118.db2.gz WKEBOJUMOAWNTF-UHFFFAOYSA-N 1 1 455.515 1.377 50 0 JDAAMO Cc1cn2c(nc3c2c(=O)n(Cc2ccccc2Cl)c(=O)n3C)n1CC[NH+]1CCOCC1 ZINC000022406109 555929233 /nfs/dbraw/zinc/92/92/33/555929233.db2.gz XKCMNCRCLCOGJP-UHFFFAOYSA-N 1 1 456.934 1.492 50 0 JDAAMO COc1cc(OC)c(OC)cc1CN1CCc2nnc([C@H](C)NC(=O)C3CC[NH+](C)CC3)n2CC1 ZINC000012195253 555941343 /nfs/dbraw/zinc/94/13/43/555941343.db2.gz LTQKUESUQVLXFF-KRWDZBQOSA-N 1 1 486.617 1.881 50 0 JDAAMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)CC1 ZINC000022912223 555967536 /nfs/dbraw/zinc/96/75/36/555967536.db2.gz BEXKUUZZQLJWNT-QGZVFWFLSA-N 1 1 472.659 1.534 50 0 JDAAMO CC[NH+]1CCN(C(=O)C2=C(C)C(=O)OC23CCN(S(=O)(=O)c2cccs2)CC3)CC1 ZINC000015731396 555974669 /nfs/dbraw/zinc/97/46/69/555974669.db2.gz LHSTWNJEASURAL-UHFFFAOYSA-N 1 1 453.586 1.309 50 0 biogenic JDAAMO Cn1cnc2c1c(=O)n(CCC[NH+]1CCN(CCOc3ccc(Cl)cc3)CC1)c(=O)n2C ZINC000022926938 555978137 /nfs/dbraw/zinc/97/81/37/555978137.db2.gz JYTUPEBRLHFSQM-UHFFFAOYSA-N 1 1 460.966 1.174 50 0 JDAAMO Cn1cnc2c1c(=O)n(CCCN1CC[NH+](CCOc3ccc(Cl)cc3)CC1)c(=O)n2C ZINC000022926938 555978140 /nfs/dbraw/zinc/97/81/40/555978140.db2.gz JYTUPEBRLHFSQM-UHFFFAOYSA-N 1 1 460.966 1.174 50 0 JDAAMO O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022928514 555979351 /nfs/dbraw/zinc/97/93/51/555979351.db2.gz VJECBQFACYZBCJ-UHFFFAOYSA-N 1 1 466.582 1.682 50 0 JDAAMO O=C(CN1CCN(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)Nc1ccc(F)cc1 ZINC000022934175 555986589 /nfs/dbraw/zinc/98/65/89/555986589.db2.gz MOFIHLXJDJXPIY-QHCPKHFHSA-N 1 1 453.562 1.773 50 0 JDAAMO CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)NCCC[NH+]1CCN(CC)CC1)N2C(C)=O ZINC000022937778 555990691 /nfs/dbraw/zinc/99/06/91/555990691.db2.gz ORFPBARWSDEKQZ-HSZRJFAPSA-N 1 1 493.674 1.139 50 0 JDAAMO Cc1ccccc1[C@@]1(CC(=O)N2CC[NH+](CCO)CC2)CC(=O)N(Cc2ccncc2)C1=O ZINC000023129272 556018445 /nfs/dbraw/zinc/01/84/45/556018445.db2.gz FSRFXXVSOHVTEN-RUZDIDTESA-N 1 1 450.539 1.114 50 0 JDAAMO COC(=O)c1c(OCCN2CCCC2=O)cc(=O)n2c1CC[N@@H+](Cc1cccc3nccnc13)CC2 ZINC000023129858 556018837 /nfs/dbraw/zinc/01/88/37/556018837.db2.gz SQIWVSYVXMHNFB-UHFFFAOYSA-N 1 1 491.548 1.638 50 0 JDAAMO C[C@H](NC(=O)C(=O)N1CCOCC1)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023181166 556027660 /nfs/dbraw/zinc/02/76/60/556027660.db2.gz NJSMPXQJCIRFPT-UGKGYDQZSA-N 1 1 456.612 1.971 50 0 JDAAMO Cc1cccc(N2CC[NH+](CCNC(=O)/C=C/c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c1 ZINC000023194319 556030621 /nfs/dbraw/zinc/03/06/21/556030621.db2.gz RYSCRWCDIZCGJM-JXMROGBWSA-N 1 1 498.649 1.968 50 0 JDAAMO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000023236654 556032994 /nfs/dbraw/zinc/03/29/94/556032994.db2.gz JMFBIHKKNNKMLL-UHFFFAOYSA-N 1 1 468.620 1.843 50 0 JDAAMO C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CC[NH+](CCOc3ccccc3)CC2)C1=O ZINC000023247710 556033598 /nfs/dbraw/zinc/03/35/98/556033598.db2.gz LHJUPMWMEWNRCB-XMMPIXPASA-N 1 1 451.527 1.181 50 0 JDAAMO CC[N@@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1cc(OC)ccc1OC ZINC000015862690 556035845 /nfs/dbraw/zinc/03/58/45/556035845.db2.gz RYALVKQIVMPHDD-GOSISDBHSA-N 1 1 468.620 1.001 50 0 JDAAMO CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1cc(OC)ccc1OC ZINC000015862690 556035848 /nfs/dbraw/zinc/03/58/48/556035848.db2.gz RYALVKQIVMPHDD-GOSISDBHSA-N 1 1 468.620 1.001 50 0 JDAAMO COc1ccc(C[NH+]2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1OC ZINC000023296203 556038673 /nfs/dbraw/zinc/03/86/73/556038673.db2.gz NFNZRLGILWLBFR-UHFFFAOYSA-N 1 1 462.572 1.442 50 0 JDAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C ZINC000012556666 556043201 /nfs/dbraw/zinc/04/32/01/556043201.db2.gz VUICGMKPSIHIEH-LJQANCHMSA-N 1 1 491.658 1.908 50 0 JDAAMO O=S(=O)(CCN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000015868808 556046690 /nfs/dbraw/zinc/04/66/90/556046690.db2.gz PXJNFXSFUCBRBK-UHFFFAOYSA-N 1 1 475.995 1.905 50 0 JDAAMO COc1ccc(S(=O)(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)Cc2ccc(F)cc2)cc1 ZINC000015868919 556047107 /nfs/dbraw/zinc/04/71/07/556047107.db2.gz AINGVZCLSQTCFG-UHFFFAOYSA-N 1 1 471.576 1.260 50 0 JDAAMO O=S(=O)(CCN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000015868863 556047130 /nfs/dbraw/zinc/04/71/30/556047130.db2.gz GISPBGWJMWKXTE-UHFFFAOYSA-N 1 1 472.032 1.808 50 0 JDAAMO Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CCS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000015868865 556047152 /nfs/dbraw/zinc/04/71/52/556047152.db2.gz POHAWSKKOGLHFN-UHFFFAOYSA-N 1 1 451.614 1.463 50 0 JDAAMO CN(CCC[NH+]1CCOCC1)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O ZINC000023338150 556047271 /nfs/dbraw/zinc/04/72/71/556047271.db2.gz KNUMISIZOHLHAW-MHZLTWQESA-N 1 1 478.593 1.892 50 0 JDAAMO CC[N@H+]1CCC[C@@H]1CN(CCS(=O)(=O)N1CCNCC1)S(=O)(=O)c1ccc(C)cc1C ZINC000015868946 556047555 /nfs/dbraw/zinc/04/75/55/556047555.db2.gz XNWBFBHSZVQGPN-HXUWFJFHSA-N 1 1 472.677 1.013 50 0 JDAAMO Cc1ccc(S(=O)(=O)N(CC[N@@H+]2CCCC[C@@H]2C)CCS(=O)(=O)N2CCNCC2)c(C)c1 ZINC000015869006 556048112 /nfs/dbraw/zinc/04/81/12/556048112.db2.gz KMYAXCQUKNOBRP-NRFANRHFSA-N 1 1 486.704 1.404 50 0 JDAAMO CN1CCN(C[C@H]2C[C@@H](C(=O)NCCN3CCNC3=O)C[N@H+](Cc3ccc4ccccc4c3)C2)CC1 ZINC000023353951 556048385 /nfs/dbraw/zinc/04/83/85/556048385.db2.gz VTBMOZFNVBZNLK-ZEQKJWHPSA-N 1 1 492.668 1.667 50 0 JDAAMO CN1CCN(C[C@H]2C[C@@H](C(=O)NCCN3CCNC3=O)C[N@@H+](Cc3ccc4ccccc4c3)C2)CC1 ZINC000023353951 556048387 /nfs/dbraw/zinc/04/83/87/556048387.db2.gz VTBMOZFNVBZNLK-ZEQKJWHPSA-N 1 1 492.668 1.667 50 0 JDAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 ZINC000023718538 556085308 /nfs/dbraw/zinc/08/53/08/556085308.db2.gz QNHLQWZXQCMKRZ-QHCPKHFHSA-N 1 1 492.686 1.345 50 0 JDAAMO Cn1nnnc1SCC(=O)Nc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000023736983 556086919 /nfs/dbraw/zinc/08/69/19/556086919.db2.gz QIBUJZNVCBEXQA-UHFFFAOYSA-N 1 1 473.603 1.706 50 0 JDAAMO CCc1cccc2c1NC(=O)[C@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3OC)C(=O)[C@H]21 ZINC000015956619 556088366 /nfs/dbraw/zinc/08/83/66/556088366.db2.gz IJINYSAVVXFPFF-HOKASXAUSA-N 1 1 462.506 1.054 50 0 biogenic JDAAMO CCc1cccc2c1NC(=O)[C@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3OC)C(=O)[C@H]21 ZINC000015956621 556088379 /nfs/dbraw/zinc/08/83/79/556088379.db2.gz IJINYSAVVXFPFF-OIBPMIBVSA-N 1 1 462.506 1.054 50 0 biogenic JDAAMO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3OC)C(=O)[C@H]21 ZINC000015956618 556088426 /nfs/dbraw/zinc/08/84/26/556088426.db2.gz IJINYSAVVXFPFF-KHTISZTLSA-N 1 1 462.506 1.054 50 0 biogenic JDAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000015957926 556089559 /nfs/dbraw/zinc/08/95/59/556089559.db2.gz XCDFFUTZDOEVTN-FGFYRLLUSA-N 1 1 490.516 1.281 50 0 biogenic JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@@]32c3cc(C)cc(Cl)c3NC2=O)cc1 ZINC000015958591 556090198 /nfs/dbraw/zinc/09/01/98/556090198.db2.gz FKNYZLPNAVUPGM-DOGKRZLPSA-N 1 1 482.924 1.453 50 0 biogenic JDAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000015958834 556090743 /nfs/dbraw/zinc/09/07/43/556090743.db2.gz IDYAUYJHCDEREF-XITLKHQFSA-N 1 1 452.898 1.444 50 0 biogenic JDAAMO Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000015959585 556091345 /nfs/dbraw/zinc/09/13/45/556091345.db2.gz YNIQIZNRUKXHJG-FRLSHVLYSA-N 1 1 496.907 1.173 50 0 biogenic JDAAMO Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@H](CC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959821 556092079 /nfs/dbraw/zinc/09/20/79/556092079.db2.gz SUTBASSTIJUPRM-BKJGLDIHSA-N 1 1 466.925 1.487 50 0 biogenic JDAAMO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015968158 556094089 /nfs/dbraw/zinc/09/40/89/556094089.db2.gz CPBSHRHZWWGOEB-MCYZMOQXSA-N 1 1 463.490 1.279 50 0 biogenic JDAAMO NC(=O)C[C@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015968244 556094580 /nfs/dbraw/zinc/09/45/80/556094580.db2.gz FOXOTUJWTVHLJC-VGHKVXAASA-N 1 1 452.898 1.179 50 0 biogenic JDAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969631 556095653 /nfs/dbraw/zinc/09/56/53/556095653.db2.gz IBJQJMXXEBRGSG-SYSFZUQMSA-N 1 1 466.925 1.487 50 0 biogenic JDAAMO NC(=O)C[C@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 ZINC000016009696 556108093 /nfs/dbraw/zinc/10/80/93/556108093.db2.gz CPDZJNFKRQNLFI-PPSDVSMJSA-N 1 1 473.316 1.789 50 0 JDAAMO Cc1c2c(ccc1Cl)[C@]1([NH2+][C@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000016009782 556108711 /nfs/dbraw/zinc/10/87/11/556108711.db2.gz OQIFGHCCGGCTNG-SAQZZPNQSA-N 1 1 452.898 1.444 50 0 JDAAMO CCCCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@@]32c3cc(F)ccc3NC2=O)cc1 ZINC000016010213 556109893 /nfs/dbraw/zinc/10/98/93/556109893.db2.gz PCOQEQSJMJJEIL-ZHBILRMLSA-N 1 1 464.497 1.969 50 0 JDAAMO NC(=O)C[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000016013139 556112032 /nfs/dbraw/zinc/11/20/32/556112032.db2.gz VSKSPZHWNJAIFH-KANGHSEISA-N 1 1 456.861 1.275 50 0 JDAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016013188 556112156 /nfs/dbraw/zinc/11/21/56/556112156.db2.gz SBLZMJXTOYBWAV-NARGUJOISA-N 1 1 450.470 1.239 50 0 JDAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016013194 556112360 /nfs/dbraw/zinc/11/23/60/556112360.db2.gz SBLZMJXTOYBWAV-BKJGLDIHSA-N 1 1 450.470 1.239 50 0 JDAAMO Cc1cccc2c1NC(=O)[C@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016021293 556113731 /nfs/dbraw/zinc/11/37/31/556113731.db2.gz DJFORABKBRCNIF-XITLKHQFSA-N 1 1 452.898 1.444 50 0 JDAAMO NC(=O)C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016022294 556115034 /nfs/dbraw/zinc/11/50/34/556115034.db2.gz NDQQAFYXYIQWJA-FAODYONGSA-N 1 1 497.349 1.288 50 0 JDAAMO NC(=O)C[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016022296 556115086 /nfs/dbraw/zinc/11/50/86/556115086.db2.gz NDQQAFYXYIQWJA-QYUDBREXSA-N 1 1 497.349 1.288 50 0 JDAAMO NC(=O)C[C@@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000016033839 556118034 /nfs/dbraw/zinc/11/80/34/556118034.db2.gz GDKHVNLGHXSZDG-DYXJYMTDSA-N 1 1 456.861 1.275 50 0 JDAAMO NC(=O)C[C@@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000016033841 556118080 /nfs/dbraw/zinc/11/80/80/556118080.db2.gz GDKHVNLGHXSZDG-RPWDQDSNSA-N 1 1 456.861 1.275 50 0 JDAAMO CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000016043563 556123050 /nfs/dbraw/zinc/12/30/50/556123050.db2.gz RTBFBQPFJFLGFZ-UHFFFAOYSA-N 1 1 474.583 1.641 50 0 JDAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000024748156 556148379 /nfs/dbraw/zinc/14/83/79/556148379.db2.gz FWLHNURCCSJVRK-LJQANCHMSA-N 1 1 460.556 1.357 50 0 JDAAMO O=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012934018 556149945 /nfs/dbraw/zinc/14/99/45/556149945.db2.gz RYAMFLXQTVYPNJ-HSZRJFAPSA-N 1 1 456.612 1.525 50 0 JDAAMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000012945856 556157298 /nfs/dbraw/zinc/15/72/98/556157298.db2.gz WYWJHHRPNDJHKP-HNNXBMFYSA-N 1 1 463.431 1.852 50 0 JDAAMO CC(C)[C@H](CNC(=O)CCn1c2ccc(S(=O)(=O)N3CCCC3)cc2oc1=O)[NH+]1CCOCC1 ZINC000012976285 556169001 /nfs/dbraw/zinc/16/90/01/556169001.db2.gz PFXGMNWVDYOCMF-FQEVSTJZSA-N 1 1 494.614 1.242 50 0 JDAAMO O=C(CN1CCN(C(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)CC1)N1CCOCC1 ZINC000012985708 556179346 /nfs/dbraw/zinc/17/93/46/556179346.db2.gz SCMMSIWFAKYWIP-IBGZPJMESA-N 1 1 471.627 1.479 50 0 JDAAMO COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4ccccc4N4CC[N@@H+](C)C[C@@H]43)C2=O)cc1OC ZINC000017015727 556204598 /nfs/dbraw/zinc/20/45/98/556204598.db2.gz OBSBAIOQIIZYQT-GJZUVCINSA-N 1 1 478.549 1.892 50 0 JDAAMO COc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000025329408 556209047 /nfs/dbraw/zinc/20/90/47/556209047.db2.gz OJMJBUWNCPCVSW-HXUWFJFHSA-N 1 1 491.610 1.278 50 0 JDAAMO CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)cc1 ZINC000017171321 556231606 /nfs/dbraw/zinc/23/16/06/556231606.db2.gz FNAHZNAUKQPUOM-UHFFFAOYSA-N 1 1 467.588 1.103 50 0 JDAAMO COCCN(C(=O)C[N@H+](C)Cc1ccc(Cl)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013040451 556243518 /nfs/dbraw/zinc/24/35/18/556243518.db2.gz ARNAVWJFUQWTLE-UHFFFAOYSA-N 1 1 451.955 1.540 50 0 JDAAMO COCCN(C(=O)C[N@@H+](C)Cc1ccc(Cl)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013040451 556243521 /nfs/dbraw/zinc/24/35/21/556243521.db2.gz ARNAVWJFUQWTLE-UHFFFAOYSA-N 1 1 451.955 1.540 50 0 JDAAMO CCC(CC)[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[NH+]1CCOCC1 ZINC000026307623 556252118 /nfs/dbraw/zinc/25/21/18/556252118.db2.gz DOAMWPPIURFCCN-OAQYLSRUSA-N 1 1 452.621 1.840 50 0 JDAAMO COc1ccc(C[N@H+](C)CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC ZINC000013058138 556253522 /nfs/dbraw/zinc/25/35/22/556253522.db2.gz JCTRWURLQVPZGY-UHFFFAOYSA-N 1 1 461.584 1.977 50 0 JDAAMO COc1ccc(C[N@@H+](C)CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC ZINC000013058138 556253524 /nfs/dbraw/zinc/25/35/24/556253524.db2.gz JCTRWURLQVPZGY-UHFFFAOYSA-N 1 1 461.584 1.977 50 0 JDAAMO COCCN(C(=O)C[N@@H+](C)Cc1ccccc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013058555 556253949 /nfs/dbraw/zinc/25/39/49/556253949.db2.gz UPWODLVGZVIWIU-UHFFFAOYSA-N 1 1 465.554 1.587 50 0 JDAAMO COCCN(C(=O)C[N@H+](C)Cc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013060999 556256568 /nfs/dbraw/zinc/25/65/68/556256568.db2.gz KPRBEVIAUNNENG-UHFFFAOYSA-N 1 1 451.527 1.279 50 0 JDAAMO COCCN(C(=O)C[N@@H+](C)Cc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013060999 556256571 /nfs/dbraw/zinc/25/65/71/556256571.db2.gz KPRBEVIAUNNENG-UHFFFAOYSA-N 1 1 451.527 1.279 50 0 JDAAMO CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013062894 556258330 /nfs/dbraw/zinc/25/83/30/556258330.db2.gz RZKAXUDSWIGPAX-IBGZPJMESA-N 1 1 491.548 1.738 50 0 JDAAMO CN(C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013062894 556258333 /nfs/dbraw/zinc/25/83/33/556258333.db2.gz RZKAXUDSWIGPAX-IBGZPJMESA-N 1 1 491.548 1.738 50 0 JDAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1[C@H]2C=C[C@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 ZINC000026690432 556259861 /nfs/dbraw/zinc/25/98/61/556259861.db2.gz HUGRUTFDHAQGMM-QTZVNIFKSA-N 1 1 464.566 1.331 50 0 JDAAMO COc1ccc(CN2C(=O)C[C@@H]([NH+]3CCC(Nc4ccc(F)cc4)(C(N)=O)CC3)C2=O)cc1 ZINC000018217991 556312535 /nfs/dbraw/zinc/31/25/35/556312535.db2.gz JFSVKUJFHINTCE-HXUWFJFHSA-N 1 1 454.502 1.894 50 0 JDAAMO Cc1cnc(C)c(-c2cc(F)cc3c2O[C@H](CNC(=O)CC[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)C3)n1 ZINC000019739972 556363640 /nfs/dbraw/zinc/36/36/40/556363640.db2.gz OJRISDRGVPLZLI-MOPGFXCFSA-N 1 1 476.574 1.828 50 0 JDAAMO Cc1cnc(C)c(-c2cc(F)cc3c2O[C@H](CNC(=O)CC[N@H+](C)[C@@H]2CCS(=O)(=O)C2)C3)n1 ZINC000019739972 556363643 /nfs/dbraw/zinc/36/36/43/556363643.db2.gz OJRISDRGVPLZLI-MOPGFXCFSA-N 1 1 476.574 1.828 50 0 JDAAMO CN(CCC[NH+]1CCOCC1)C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O ZINC000019795267 556373941 /nfs/dbraw/zinc/37/39/41/556373941.db2.gz RWXKMIHDRLQXKA-AREMUKBSSA-N 1 1 482.556 1.988 50 0 JDAAMO CN(CCC[NH+]1CCOCC1)C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O ZINC000019795266 556373997 /nfs/dbraw/zinc/37/39/97/556373997.db2.gz RWXKMIHDRLQXKA-SANMLTNESA-N 1 1 482.556 1.988 50 0 JDAAMO CCN(CC)C(=O)C[N@@H+]1CCCN(CC(=O)NCc2cc(OC)c(OC)cc2OC)CC1 ZINC000031578066 556399847 /nfs/dbraw/zinc/39/98/47/556399847.db2.gz BFJHAEMQJQNZOW-UHFFFAOYSA-N 1 1 450.580 1.205 50 0 JDAAMO CCN(CC)C(=O)C[N@H+]1CCCN(CC(=O)NCc2cc(OC)c(OC)cc2OC)CC1 ZINC000031578066 556399850 /nfs/dbraw/zinc/39/98/50/556399850.db2.gz BFJHAEMQJQNZOW-UHFFFAOYSA-N 1 1 450.580 1.205 50 0 JDAAMO CCCC[N@@H+](CC)CCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000008598056 562944979 /nfs/dbraw/zinc/94/49/79/562944979.db2.gz RNKGBLLZSQETLR-UHFFFAOYSA-N 1 1 466.604 1.435 50 0 JDAAMO CCOC(=O)O[C@@H](C)OC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccccc3)[C@H]2SC1(C)C ZINC000036378574 563127401 /nfs/dbraw/zinc/12/74/01/563127401.db2.gz PFOLLRNADZZWEX-XIJZRVNUSA-N 1 1 465.528 1.296 50 0 world JDAAMO CCc1ccc([C@H]2NC(=O)NC(CN3CCC(C(N)=O)([NH+]4CCCCC4)CC3)=C2C(=O)OC)cc1 ZINC000057415181 569600639 /nfs/dbraw/zinc/60/06/39/569600639.db2.gz JRZYICUGGKKURK-JOCHJYFZSA-N 1 1 483.613 1.836 50 0 JDAAMO CN1CC[NH+](CCCNC(=O)CSCc2nnc(C(=O)Nc3cccc(F)c3)s2)CC1 ZINC000032987277 569609404 /nfs/dbraw/zinc/60/94/04/569609404.db2.gz OCVQBEZEMULKNY-UHFFFAOYSA-N 1 1 466.608 1.916 50 0 JDAAMO Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(c1ccccc1)=NN3CC[NH+]1CCN(c2ccccc2)CC1 ZINC000061971127 569609589 /nfs/dbraw/zinc/60/95/89/569609589.db2.gz CZPKXTGOKBUOSZ-UHFFFAOYSA-N 1 1 498.591 1.480 50 0 JDAAMO O=C(C[NH+]1CCC(CCN2CCOCC2)CC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000062592070 569612578 /nfs/dbraw/zinc/61/25/78/569612578.db2.gz OLQJLVQUYRZVHC-UHFFFAOYSA-N 1 1 499.077 1.607 50 0 JDAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CCC(=O)N1CCc2c(c(C(=O)N3CCCC3)nn2C)C1 ZINC000064565466 569618968 /nfs/dbraw/zinc/61/89/68/569618968.db2.gz DCVIMCCSNGRJJU-IBGZPJMESA-N 1 1 472.634 1.702 50 0 JDAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CCC(=O)N1CCc2c(c(C(=O)N3CCCC3)nn2C)C1 ZINC000064565470 569618987 /nfs/dbraw/zinc/61/89/87/569618987.db2.gz TWOMIUHAMYKJML-GOSISDBHSA-N 1 1 458.607 1.312 50 0 JDAAMO COc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]c(C)n3)CC2)cc1C ZINC000033318429 569623169 /nfs/dbraw/zinc/62/31/69/569623169.db2.gz JLDAUOFNPGEQKS-UHFFFAOYSA-N 1 1 461.588 1.758 50 0 JDAAMO CCN1CC[NH+](CCCNC(=O)C2CCN(c3nc4ccccc4n(CC)c3=O)CC2)CC1 ZINC000064873692 569641193 /nfs/dbraw/zinc/64/11/93/569641193.db2.gz CXXXZDFFVOWSEY-UHFFFAOYSA-N 1 1 454.619 1.777 50 0 JDAAMO 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/nfs/dbraw/zinc/16/92/72/195169272.db2.gz AEMKCJOUUUNURC-IRUWDQCASA-N 1 1 468.623 1.995 50 0 JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](C)O)[NH2+][C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000020610765 195183790 /nfs/dbraw/zinc/18/37/90/195183790.db2.gz RBPAMSGCBPOMDZ-DNGYDEBPSA-N 1 1 455.898 1.650 50 0 biogenic JDAAMO Cc1c(C)n(CC[NH+]2CCOCC2)c2ncn3nc(CCN4C(=O)c5ccccc5C4=O)nc3c12 ZINC000020623939 195190683 /nfs/dbraw/zinc/19/06/83/195190683.db2.gz IFDOEZJTULUPTQ-UHFFFAOYSA-N 1 1 473.537 1.867 50 0 JDAAMO CN1CC[NH+](CCCNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCCCCC4)cc32)CC1 ZINC000020683162 195204405 /nfs/dbraw/zinc/20/44/05/195204405.db2.gz WAJJTGGJUGMNET-UHFFFAOYSA-N 1 1 489.642 1.460 50 0 JDAAMO O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020728320 195208994 /nfs/dbraw/zinc/20/89/94/195208994.db2.gz YKCCDXVUFINELW-IBGZPJMESA-N 1 1 450.495 1.775 50 0 JDAAMO Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000020664877 195198112 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NBQFPWTZGLYRDQ-UHFFFAOYSA-N 1 1 452.621 1.753 50 0 JDAAMO CCc1ccc(-c2cc3c(=O)n(CC(=O)NCCC[NH+]4CCN(C)CC4)nc(C)n3n2)cc1 ZINC000021017907 195267042 /nfs/dbraw/zinc/26/70/42/195267042.db2.gz VSUWTNXBMIDUMA-UHFFFAOYSA-N 1 1 451.575 1.183 50 0 JDAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)C[C@H](C)O1 ZINC000021526812 195305459 /nfs/dbraw/zinc/30/54/59/195305459.db2.gz JDJFNHHOEMLBSN-IRXDYDNUSA-N 1 1 479.647 1.760 50 0 JDAAMO CN1C(=O)c2cc(C(=O)NCCC[NH+]3CCOCC3)nn2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021530853 195309215 /nfs/dbraw/zinc/30/92/15/195309215.db2.gz HQYSECBFDNJYMA-XMMPIXPASA-N 1 1 474.606 1.019 50 0 JDAAMO CC[N@@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1cc(C)c(C)cc1C ZINC000021534330 195310539 /nfs/dbraw/zinc/31/05/39/195310539.db2.gz DZHHXACJVZSUJN-OAQYLSRUSA-N 1 1 450.649 1.909 50 0 JDAAMO CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1cc(C)c(C)cc1C ZINC000021534330 195310542 /nfs/dbraw/zinc/31/05/42/195310542.db2.gz DZHHXACJVZSUJN-OAQYLSRUSA-N 1 1 450.649 1.909 50 0 JDAAMO CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000021887792 195325458 /nfs/dbraw/zinc/32/54/58/195325458.db2.gz BEVQRXHIXLZZCC-UHFFFAOYSA-N 1 1 455.621 1.815 50 0 biogenic JDAAMO Cn1c2ccccc2n(CC(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c(=O)c1=O ZINC000021943794 195339988 /nfs/dbraw/zinc/33/99/88/195339988.db2.gz GGGHPYSGNVKNKG-UHFFFAOYSA-N 1 1 455.946 1.292 50 0 JDAAMO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc1)C2=O ZINC000058427340 195379349 /nfs/dbraw/zinc/37/93/49/195379349.db2.gz KAFPOWARYRQOOT-YLNUKYHNSA-N 1 1 455.559 1.823 50 0 JDAAMO CCOC(=O)C1=C(NC(=O)CSc2nnnn2-c2ccccc2)S[C@@H]2C[N@@H+](C)CC[C@H]12 ZINC000058480072 195379888 /nfs/dbraw/zinc/37/98/88/195379888.db2.gz YLHRPANQHFAHMR-LSDHHAIUSA-N 1 1 460.585 1.712 50 0 JDAAMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)CC2)cc1C ZINC000058186089 195372640 /nfs/dbraw/zinc/37/26/40/195372640.db2.gz QIYNQDRMPKAJRI-HXUWFJFHSA-N 1 1 452.621 1.676 50 0 JDAAMO 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MFNYURHYRKLVAR-UHFFFAOYSA-N 1 1 455.515 1.928 50 0 JDAAMO CCN1CC[NH+](CCCNC(=O)CCc2nc3c(C)nn(-c4ccccc4)c3n(C)c2=O)CC1 ZINC000021640912 555855612 /nfs/dbraw/zinc/85/56/12/555855612.db2.gz ADNUFMUKXFRICU-UHFFFAOYSA-N 1 1 465.602 1.504 50 0 JDAAMO COc1cc(CN2CCc3nnc([C@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)cc(OC)c1 ZINC000011970214 555873595 /nfs/dbraw/zinc/87/35/95/555873595.db2.gz QZBIOYRTZWLHHS-KRWDZBQOSA-N 1 1 456.591 1.873 50 0 JDAAMO CCc1ccc([C@@H](CNS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)[NH+](C)C)cc1 ZINC000011997626 555879749 /nfs/dbraw/zinc/87/97/49/555879749.db2.gz JWHZTBLSUKXXHE-HXUWFJFHSA-N 1 1 465.597 1.897 50 0 JDAAMO COc1ccc([C@H](CNS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)[NH+](C)C)cc1OC ZINC000011997616 555879785 /nfs/dbraw/zinc/87/97/85/555879785.db2.gz JVPVBLMAVWRWEF-SFHVURJKSA-N 1 1 497.595 1.352 50 0 JDAAMO COc1ccc([C@H](CNS(=O)(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)[NH+](C)C)cc1 ZINC000011997995 555880477 /nfs/dbraw/zinc/88/04/77/555880477.db2.gz XSOJWZURADIOIY-FQEVSTJZSA-N 1 1 495.623 1.979 50 0 JDAAMO CCCCn1c(N)c(N(CC)C(=O)C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c(=O)[nH]c1=O ZINC000015544266 555914157 /nfs/dbraw/zinc/91/41/57/555914157.db2.gz ZCPCMACWPCJIRW-UHFFFAOYSA-N 1 1 476.622 1.386 50 0 JDAAMO Cc1cn2c(nc3c2c(=O)n(Cc2cc(C)ccc2C)c(=O)n3C)n1CC[NH+]1CCOCC1 ZINC000022406468 555929621 /nfs/dbraw/zinc/92/96/21/555929621.db2.gz PXMRIBURYRJHPK-UHFFFAOYSA-N 1 1 450.543 1.455 50 0 JDAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000015678612 555944266 /nfs/dbraw/zinc/94/42/66/555944266.db2.gz CMMBWDMHORDEDB-UHFFFAOYSA-N 1 1 454.552 1.493 50 0 JDAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)NCCN4CCOCC4)CC3)n2)cc1OC ZINC000015726318 555964308 /nfs/dbraw/zinc/96/43/08/555964308.db2.gz RPDVKAXUIFHBFI-UHFFFAOYSA-N 1 1 459.547 1.414 50 0 JDAAMO CCN(CC(=O)NCc1cccs1)C(=O)CN1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022913441 555969052 /nfs/dbraw/zinc/96/90/52/555969052.db2.gz ZJBVIMDLYRUCLX-UHFFFAOYSA-N 1 1 451.637 1.135 50 0 JDAAMO CCN(CC(=O)NCc1cccs1)C(=O)CN1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022913441 555969055 /nfs/dbraw/zinc/96/90/55/555969055.db2.gz ZJBVIMDLYRUCLX-UHFFFAOYSA-N 1 1 451.637 1.135 50 0 JDAAMO CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+]3CCCN(CC(=O)NC(C)(C)C)CC3)CC2)c(F)c1 ZINC000022924033 555976610 /nfs/dbraw/zinc/97/66/10/555976610.db2.gz PEGSXFOEFYECML-UHFFFAOYSA-N 1 1 475.609 1.599 50 0 JDAAMO CC(=O)c1ccc(N2CCN(C(=O)C[N@H+]3CCCN(CC(=O)NC(C)(C)C)CC3)CC2)c(F)c1 ZINC000022924033 555976613 /nfs/dbraw/zinc/97/66/13/555976613.db2.gz PEGSXFOEFYECML-UHFFFAOYSA-N 1 1 475.609 1.599 50 0 JDAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3nn(-c4ccc(C)cc4)c(=O)n(C)c3=O)cc2)CC1 ZINC000022938039 555991031 /nfs/dbraw/zinc/99/10/31/555991031.db2.gz JUVOWYIYUXWIPD-UHFFFAOYSA-N 1 1 462.554 1.629 50 0 JDAAMO Cc1nn(CCC(=O)NCC[N@H+]2CCc3ccccc3C2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000015777540 555997145 /nfs/dbraw/zinc/99/71/45/555997145.db2.gz AHXYCVMLNKPXMJ-UHFFFAOYSA-N 1 1 459.616 1.849 50 0 JDAAMO CCOCC[NH+]1CCN(C(=O)c2cn(CCOC)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 ZINC000023108637 556009469 /nfs/dbraw/zinc/00/94/69/556009469.db2.gz OXVICBPBKKTKKL-UHFFFAOYSA-N 1 1 453.543 1.580 50 0 JDAAMO C[C@@H](NC(=O)C(=O)N1CCOCC1)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023181163 556027626 /nfs/dbraw/zinc/02/76/26/556027626.db2.gz NJSMPXQJCIRFPT-KNQAVFIVSA-N 1 1 456.612 1.971 50 0 JDAAMO C[C@H](NC(=O)C(=O)NCCN1CCOCC1)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023181179 556027696 /nfs/dbraw/zinc/02/76/96/556027696.db2.gz IXSCCTHVLGDIGQ-URXFXBBRSA-N 1 1 499.681 1.560 50 0 JDAAMO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023257412 556035854 /nfs/dbraw/zinc/03/58/54/556035854.db2.gz XILOLHHNUYLBFJ-NRFANRHFSA-N 1 1 456.612 1.726 50 0 JDAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 ZINC000015868747 556046443 /nfs/dbraw/zinc/04/64/43/556046443.db2.gz QSJYZMIHJCZFLF-UHFFFAOYSA-N 1 1 479.624 1.888 50 0 JDAAMO O=S(=O)(CCN(Cc1ccccc1Cl)S(=O)(=O)c1ccccc1)N1CC[NH2+]CC1 ZINC000015868810 556046705 /nfs/dbraw/zinc/04/67/05/556046705.db2.gz KWFMZGDPWWBWHC-UHFFFAOYSA-N 1 1 458.005 1.766 50 0 JDAAMO CC(C)N(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000015868832 556047061 /nfs/dbraw/zinc/04/70/61/556047061.db2.gz MNYZNKYBOVGUHN-UHFFFAOYSA-N 1 1 454.412 1.083 50 0 JDAAMO COc1ccc(OC)c(S(=O)(=O)N(CCc2ccccc2)CCS(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000015868867 556047069 /nfs/dbraw/zinc/04/70/69/556047069.db2.gz QEFKJBSMXWPTJX-UHFFFAOYSA-N 1 1 497.639 1.172 50 0 JDAAMO COc1cccc(CN(CCS(=O)(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000015868916 556047075 /nfs/dbraw/zinc/04/70/75/556047075.db2.gz LKJVPGBMNRWZNP-UHFFFAOYSA-N 1 1 481.640 1.738 50 0 JDAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1[C@H]2C=C[C@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@@H]13)O2 ZINC000015894246 556061727 /nfs/dbraw/zinc/06/17/27/556061727.db2.gz HUGRUTFDHAQGMM-ICLZECGLSA-N 1 1 464.566 1.331 50 0 JDAAMO O=C(CN1CCN(C(=O)C2CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC2)CC1)Nc1ccccc1Cl ZINC000012568944 556070248 /nfs/dbraw/zinc/07/02/48/556070248.db2.gz VRZFEJQKRAZPCB-GOSISDBHSA-N 1 1 483.034 1.322 50 0 JDAAMO Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(CC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)CC2)c1C ZINC000023731064 556085705 /nfs/dbraw/zinc/08/57/05/556085705.db2.gz KTWXOZOQSCHHNI-HSZRJFAPSA-N 1 1 494.702 1.700 50 0 JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@@]32c3cc(Cl)ccc3NC2=O)cc1 ZINC000015957550 556089059 /nfs/dbraw/zinc/08/90/59/556089059.db2.gz TULIUXKYVWOXJD-NZQNYPKQSA-N 1 1 468.897 1.145 50 0 biogenic JDAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@@]32c3cc(Cl)ccc3NC2=O)cc1 ZINC000015958632 556090201 /nfs/dbraw/zinc/09/02/01/556090201.db2.gz GTSCOLQJGCZSNV-DOGKRZLPSA-N 1 1 496.907 1.317 50 0 biogenic JDAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000015958836 556090811 /nfs/dbraw/zinc/09/08/11/556090811.db2.gz IDYAUYJHCDEREF-VGHKVXAASA-N 1 1 452.898 1.444 50 0 biogenic JDAAMO Cc1c2c(ccc1Cl)[C@]1([NH2+][C@@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000015959582 556091399 /nfs/dbraw/zinc/09/13/99/556091399.db2.gz YNIQIZNRUKXHJG-HVXFUGBPSA-N 1 1 496.907 1.173 50 0 biogenic JDAAMO Cc1c2c(ccc1Cl)[C@]1([NH2+][C@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000015959584 556091499 /nfs/dbraw/zinc/09/14/99/556091499.db2.gz YNIQIZNRUKXHJG-DJVOCCORSA-N 1 1 496.907 1.173 50 0 biogenic JDAAMO Cc1c2c(ccc1Cl)[C@]1([NH2+][C@H](CC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959820 556091989 /nfs/dbraw/zinc/09/19/89/556091989.db2.gz SUTBASSTIJUPRM-SYSFZUQMSA-N 1 1 466.925 1.487 50 0 biogenic JDAAMO O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023846802 556092067 /nfs/dbraw/zinc/09/20/67/556092067.db2.gz YMSLJLVHSNVJLY-UHFFFAOYSA-N 1 1 478.640 1.203 50 0 JDAAMO Cn1cnc2c1c(=O)n(CC(=O)N1CC[NH+](C(c3ccccc3)c3ccccc3)CC1)c(=O)n2C ZINC000023936748 556102967 /nfs/dbraw/zinc/10/29/67/556102967.db2.gz PICZTKQGEHQHNT-UHFFFAOYSA-N 1 1 472.549 1.368 50 0 JDAAMO CCCCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@@]32c3cc(F)ccc3NC2=O)cc1 ZINC000016010214 556109793 /nfs/dbraw/zinc/10/97/93/556109793.db2.gz PCOQEQSJMJJEIL-HOSCZWGSSA-N 1 1 464.497 1.969 50 0 JDAAMO Cc1c2c(ccc1Cl)[C@]1([NH2+][C@@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]31)C(=O)N2 ZINC000016010201 556109800 /nfs/dbraw/zinc/10/98/00/556109800.db2.gz BDRYVDPONKBAAI-XQNUDUSMSA-N 1 1 470.888 1.584 50 0 JDAAMO NC(=O)C[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 ZINC000016011870 556110582 /nfs/dbraw/zinc/11/05/82/556110582.db2.gz VVTBSMYAGVVXCF-XNGFIGEISA-N 1 1 473.316 1.789 50 0 JDAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016013168 556112149 /nfs/dbraw/zinc/11/21/49/556112149.db2.gz LPKBYCXQBOYVBB-BKJGLDIHSA-N 1 1 466.925 1.753 50 0 JDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)[NH2+][C@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000016021975 556114441 /nfs/dbraw/zinc/11/44/41/556114441.db2.gz FTFKQTHVMIFSQO-WEFZHDDSSA-N 1 1 483.496 1.187 50 0 JDAAMO NC(=O)C[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016022297 556115074 /nfs/dbraw/zinc/11/50/74/556115074.db2.gz NDQQAFYXYIQWJA-YQYRJILISA-N 1 1 497.349 1.288 50 0 JDAAMO C[C@H](O)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016024997 556115724 /nfs/dbraw/zinc/11/57/24/556115724.db2.gz KMYUCEWSWQJKDB-YLSATLEASA-N 1 1 484.350 1.793 50 0 JDAAMO CN(CCS(=O)(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000024706687 556146259 /nfs/dbraw/zinc/14/62/59/556146259.db2.gz JIPZMIFBWYCUFT-UHFFFAOYSA-N 1 1 485.603 1.398 50 0 JDAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000024748162 556148387 /nfs/dbraw/zinc/14/83/87/556148387.db2.gz FWLHNURCCSJVRK-IBGZPJMESA-N 1 1 460.556 1.357 50 0 JDAAMO Cc1cc(N2CC[NH+](CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)CC2)nc(C(C)C)n1 ZINC000024881159 556162099 /nfs/dbraw/zinc/16/20/99/556162099.db2.gz PEWBULGVQWLYJI-UHFFFAOYSA-N 1 1 457.579 1.706 50 0 JDAAMO O=S(=O)(c1ccc(N2CC[NH+](C[C@H](O)c3ccc(F)cc3)CC2)nc1)N1CCOCC1 ZINC000025306720 556207941 /nfs/dbraw/zinc/20/79/41/556207941.db2.gz WYZDPNXXCOELFR-FQEVSTJZSA-N 1 1 450.536 1.097 50 0 JDAAMO O=S(=O)(c1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1)N1CCOCC1 ZINC000025329676 556209064 /nfs/dbraw/zinc/20/90/64/556209064.db2.gz ITKOZGDHUUYTFG-OAQYLSRUSA-N 1 1 479.574 1.409 50 0 JDAAMO CN1CCN(CC(=O)Nc2ccc(Oc3ccc(NC(=O)CN4CC[NH+](C)CC4)cc3)cc2)CC1 ZINC000025389198 556211602 /nfs/dbraw/zinc/21/16/02/556211602.db2.gz XUWXLGAUFFSPSY-UHFFFAOYSA-N 1 1 480.613 1.851 50 0 JDAAMO COCCN(C(=O)C[N@H+](C)Cc1ccc(C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013031564 556228276 /nfs/dbraw/zinc/22/82/76/556228276.db2.gz HNSHGYZVPWSSFV-UHFFFAOYSA-N 1 1 465.554 1.587 50 0 JDAAMO 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C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000027365252 556277313 /nfs/dbraw/zinc/27/73/13/556277313.db2.gz IHKYZFYUTZQNTO-HOTGVXAUSA-N 1 1 454.556 1.885 50 0 JDAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000028724956 556340254 /nfs/dbraw/zinc/34/02/54/556340254.db2.gz MFWIFRYVGVFSDO-IBGZPJMESA-N 1 1 498.609 1.597 50 0 JDAAMO COCCN1C(=O)C[C@](CC(=O)N2CC[NH+](CCOC)CC2)(c2ccccc2Cl)C1=O ZINC000019743000 556364918 /nfs/dbraw/zinc/36/49/18/556364918.db2.gz XDHUIYHANHIBAH-JOCHJYFZSA-N 1 1 451.951 1.164 50 0 JDAAMO COc1cc(OC)c(C[N@H+]2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)c(OC)c1 ZINC000019742520 556365191 /nfs/dbraw/zinc/36/51/91/556365191.db2.gz FZYJMMQLQZNJSZ-GOSISDBHSA-N 1 1 459.547 1.200 50 0 JDAAMO COc1cc(OC)c(C[N@@H+]2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)c(OC)c1 ZINC000019742520 556365193 /nfs/dbraw/zinc/36/51/93/556365193.db2.gz FZYJMMQLQZNJSZ-GOSISDBHSA-N 1 1 459.547 1.200 50 0 JDAAMO 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CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(=O)N(CC2CCOCC2)C[C@@H](OCc2cccnc2)C1 ZINC000039344649 569809320 /nfs/dbraw/zinc/80/93/20/569809320.db2.gz NHAMPNLVCMYLHW-DHIUTWEWSA-N 1 1 458.603 1.939 50 0 JDAAMO O=C(C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)CC1)N1CCCC1 ZINC000040087839 569815922 /nfs/dbraw/zinc/81/59/22/569815922.db2.gz PJRKFCOEWJOVJH-KRWDZBQOSA-N 1 1 477.403 1.959 50 0 JDAAMO O=C(C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)CC1)N1CCCC1 ZINC000040087839 569815923 /nfs/dbraw/zinc/81/59/23/569815923.db2.gz PJRKFCOEWJOVJH-KRWDZBQOSA-N 1 1 477.403 1.959 50 0 JDAAMO O=C1N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1CN1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000048326256 569845834 /nfs/dbraw/zinc/84/58/34/569845834.db2.gz UCABWUCKHHSRGT-RUZDIDTESA-N 1 1 497.621 1.537 50 0 JDAAMO C[C@H](O)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000105352785 569852824 /nfs/dbraw/zinc/85/28/24/569852824.db2.gz KMYUCEWSWQJKDB-SRPXWDDNSA-N 1 1 484.350 1.793 50 0 JDAAMO 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MONVDJVZLAKMNR-OAQYLSRUSA-N 1 1 450.649 1.990 50 0 JDAAMO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2CCCC[C@H]2C)cc1C ZINC000106319568 569853952 /nfs/dbraw/zinc/85/39/52/569853952.db2.gz MONVDJVZLAKMNR-OAQYLSRUSA-N 1 1 450.649 1.990 50 0 JDAAMO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 ZINC000107913773 569857917 /nfs/dbraw/zinc/85/79/17/569857917.db2.gz XIORALMPLAEYAS-SMOZNVCYSA-N 1 1 467.909 1.934 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@@H](C(=O)NCc1cccc(F)c1)C2 ZINC000169677446 569868578 /nfs/dbraw/zinc/86/85/78/569868578.db2.gz NNEALUWLKFKBNI-UKILVPOCSA-N 1 1 496.583 1.672 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@@H](C(=O)NCc1cccc(F)c1)C2 ZINC000169677446 569868579 /nfs/dbraw/zinc/86/85/79/569868579.db2.gz NNEALUWLKFKBNI-UKILVPOCSA-N 1 1 496.583 1.672 50 0 JDAAMO COc1ccc2c(c1)N1CCN(c3cnccn3)C[C@@H]1[C@@H](C(=O)NCCC[NH+]1CCOCC1)C2 ZINC000169677601 569868822 /nfs/dbraw/zinc/86/88/22/569868822.db2.gz 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ZINC000252693877 570094621 /nfs/dbraw/zinc/09/46/21/570094621.db2.gz GOLGTBLFHKRDDP-MGXIVBFVSA-N 1 1 453.926 1.992 50 0 biogenic JDAAMO COc1ccc(CN2C(=O)N[C@H](CC(=O)N3CC[NH+](CCc4ccncc4)CC3)C2=O)cc1 ZINC000253535678 570103523 /nfs/dbraw/zinc/10/35/23/570103523.db2.gz AYYIFSADPQRUGA-OAQYLSRUSA-N 1 1 451.527 1.492 50 0 JDAAMO CN1C(=O)N(C)C(=O)C(Cc2cccs2)(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C1=O ZINC000263586746 570172031 /nfs/dbraw/zinc/17/20/31/570172031.db2.gz XMTILPPLYRGQKH-JKSUJKDBSA-N 1 1 454.552 1.608 50 0 JDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cn1cnc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O ZINC000004104111 194378194 /nfs/dbraw/zinc/37/81/94/194378194.db2.gz QWMKKLVOTXJBIM-SFHVURJKSA-N 1 1 475.615 1.418 50 0 JDAAMO CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)CC2)cc1 ZINC000012601287 195046561 /nfs/dbraw/zinc/04/65/61/195046561.db2.gz SUNQFEAPQHSMLP-JTHBVZDNSA-N 1 1 494.702 1.979 50 0 JDAAMO CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)CC2)cc1 ZINC000012601284 195046591 /nfs/dbraw/zinc/04/65/91/195046591.db2.gz SUNQFEAPQHSMLP-FYYLOGMGSA-N 1 1 494.702 1.979 50 0 JDAAMO CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000012693252 195089383 /nfs/dbraw/zinc/08/93/83/195089383.db2.gz UFKGYJLYWYISOL-AZUAARDMSA-N 1 1 455.646 1.718 50 0 JDAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1)N1CCCN(C(=O)c2ccco2)CC1 ZINC000012713861 195096445 /nfs/dbraw/zinc/09/64/45/195096445.db2.gz NAIRCSHYVWPCQR-OAQYLSRUSA-N 1 1 450.539 1.312 50 0 JDAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1)N1CCCN(C(=O)c2ccco2)CC1 ZINC000012713861 195096447 /nfs/dbraw/zinc/09/64/47/195096447.db2.gz NAIRCSHYVWPCQR-OAQYLSRUSA-N 1 1 450.539 1.312 50 0 JDAAMO Cc1cccc(C[NH+]2CCN(C(=O)CN(C)C(=O)CN3c4ccccc4OCCC3=O)CC2)c1 ZINC000012762742 195111662 /nfs/dbraw/zinc/11/16/62/195111662.db2.gz LKKCWTUZQMPBAM-UHFFFAOYSA-N 1 1 464.566 1.913 50 0 JDAAMO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CC[NH+](Cc4ccccc4C)CC3)CC2)cc1 ZINC000012766821 195114294 /nfs/dbraw/zinc/11/42/94/195114294.db2.gz RCXZYMVQAOYHGQ-UHFFFAOYSA-N 1 1 470.639 1.954 50 0 JDAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000012780914 195124599 /nfs/dbraw/zinc/12/45/99/195124599.db2.gz FRMKVOKKZXEFJW-RXVVDRJESA-N 1 1 451.589 1.898 50 0 JDAAMO O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000012793441 195134014 /nfs/dbraw/zinc/13/40/14/195134014.db2.gz VXKZFPHIDQVDEN-GOSISDBHSA-N 1 1 455.602 1.309 50 0 JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](C)O)[NH2+][C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000020610606 195183586 /nfs/dbraw/zinc/18/35/86/195183586.db2.gz WDHLJWGPWDLVFW-BWCBDTGESA-N 1 1 455.898 1.650 50 0 biogenic JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@]32c3cc(Cl)ccc3NC2=O)cc1 ZINC000020610967 195184282 /nfs/dbraw/zinc/18/42/82/195184282.db2.gz TULIUXKYVWOXJD-QYUDBREXSA-N 1 1 468.897 1.145 50 0 biogenic JDAAMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@]21c2cc(Cl)ccc2NC1=O ZINC000020611037 195184658 /nfs/dbraw/zinc/18/46/58/195184658.db2.gz QKFJHLVMRDNTRF-NSNOHRKYSA-N 1 1 468.897 1.145 50 0 biogenic JDAAMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@]21c2cc(C)cc(C)c2NC1=O ZINC000020611766 195186018 /nfs/dbraw/zinc/18/60/18/195186018.db2.gz UVLDJCCGURYQSV-KHTISZTLSA-N 1 1 462.506 1.108 50 0 biogenic JDAAMO COc1ccc(CCn2c(=O)[nH]c3cc(C(=O)NCCC[NH+]4CCOCC4)ccc3c2=O)cc1OC ZINC000020616884 195188672 /nfs/dbraw/zinc/18/86/72/195188672.db2.gz LULLTNDUJFTZMM-UHFFFAOYSA-N 1 1 496.564 1.402 50 0 JDAAMO CC1CCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NCCC[NH+]4CCOCC4)c3c2)CC1 ZINC000020682224 195204165 /nfs/dbraw/zinc/20/41/65/195204165.db2.gz RZJYDXOBFSOROS-UHFFFAOYSA-N 1 1 476.599 1.401 50 0 JDAAMO CCN1CC[NH+](CCCNC(=O)c2oc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C)CC1 ZINC000020683136 195204313 /nfs/dbraw/zinc/20/43/13/195204313.db2.gz XAKLVGZNMWRDAS-UHFFFAOYSA-N 1 1 478.615 1.520 50 0 JDAAMO O=C(C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020688732 195205571 /nfs/dbraw/zinc/20/55/71/195205571.db2.gz FCFPVAOERAXOCM-UHFFFAOYSA-N 1 1 492.642 1.127 50 0 JDAAMO COc1cc(OC)cc(-n2nc(C(=O)NCCC[NH+]3CCOCC3)c3ccccc3c2=O)c1 ZINC000020804625 195228307 /nfs/dbraw/zinc/22/83/07/195228307.db2.gz KUPOOBULUNINCZ-UHFFFAOYSA-N 1 1 452.511 1.855 50 0 JDAAMO CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(=O)NCCC[NH+]2CCOCC2)C(C)C)cc1 ZINC000020766201 195221688 /nfs/dbraw/zinc/22/16/88/195221688.db2.gz LQIGXJYORYKIBM-HXUWFJFHSA-N 1 1 454.593 1.177 50 0 JDAAMO CCc1ccc(-c2cc3c(=O)n(CC(=O)NCCC[NH+]4CCN(CC)CC4)nc(C)n3n2)cc1 ZINC000021017912 195266891 /nfs/dbraw/zinc/26/68/91/195266891.db2.gz FNJQDTCDPFHQNL-UHFFFAOYSA-N 1 1 465.602 1.573 50 0 JDAAMO CC[N@@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000021534309 195310461 /nfs/dbraw/zinc/31/04/61/195310461.db2.gz GRSGLTAYQDWEQD-NRFANRHFSA-N 1 1 450.649 1.909 50 0 JDAAMO CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000021534309 195310464 /nfs/dbraw/zinc/31/04/64/195310464.db2.gz GRSGLTAYQDWEQD-NRFANRHFSA-N 1 1 450.649 1.909 50 0 JDAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1=C(C)C(=O)OC12CCN(S(=O)(=O)CC)CC2 ZINC000021887758 195325426 /nfs/dbraw/zinc/32/54/26/195325426.db2.gz QSAVLZPYYYTPQC-GOSISDBHSA-N 1 1 455.621 1.815 50 0 biogenic JDAAMO C=C1C(N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)=NS(=O)(=O)C1c1ccc(OC)cc1 ZINC000021913601 195331296 /nfs/dbraw/zinc/33/12/96/195331296.db2.gz YAEDOXZQFPDCEL-UHFFFAOYSA-N 1 1 490.626 1.719 50 0 JDAAMO CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCC[NH+]4CCOCC4)C3)ccc21 ZINC000021937951 195337505 /nfs/dbraw/zinc/33/75/05/195337505.db2.gz ACYZOWYSOJTWLL-HXUWFJFHSA-N 1 1 462.616 1.900 50 0 JDAAMO CCN1CC[NH+](CCCNC(=O)CN2c3cc(C(=O)N(C)C)ccc3N3CCCC[C@H]3C2=O)CC1 ZINC000021942148 195339366 /nfs/dbraw/zinc/33/93/66/195339366.db2.gz BJASCURTEMRILC-QFIPXVFZSA-N 1 1 484.645 1.238 50 0 JDAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)Cn3c4ccccc4n(C)c(=O)c3=O)C[C@H]2C)c1 ZINC000021943817 195339943 /nfs/dbraw/zinc/33/99/43/195339943.db2.gz ZKTSICPCGASZTL-HXUWFJFHSA-N 1 1 463.582 1.726 50 0 JDAAMO C[C@@H]1C[N@H+](CC2CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)C[C@H](C)O1 ZINC000058393970 195378857 /nfs/dbraw/zinc/37/88/57/195378857.db2.gz UODLUPLAZORZIV-KDURUIRLSA-N 1 1 465.616 1.669 50 0 JDAAMO Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(CC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)C2)cc1 ZINC000058298255 195376387 /nfs/dbraw/zinc/37/63/87/195376387.db2.gz XKNQTAUMAYCPTD-FGZHOGPDSA-N 1 1 480.675 1.458 50 0 JDAAMO CC(C)(C)NC(=O)CN1CCC[N@H+](CC(=O)N2CCN(c3ccccc3Cl)CC2)CC1 ZINC000022784186 518728562 /nfs/dbraw/zinc/72/85/62/518728562.db2.gz QISSEHOAEOYIEM-UHFFFAOYSA-N 1 1 450.027 1.911 50 0 JDAAMO CC(C)(C)NC(=O)CN1CCC[N@@H+](CC(=O)N2CCN(c3ccccc3Cl)CC2)CC1 ZINC000022784186 518728570 /nfs/dbraw/zinc/72/85/70/518728570.db2.gz QISSEHOAEOYIEM-UHFFFAOYSA-N 1 1 450.027 1.911 50 0 JDAAMO CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCC[NH+]3CCOCC3)CC2)cc1 ZINC000045921272 519730175 /nfs/dbraw/zinc/73/01/75/519730175.db2.gz IBAIVSIRPXBYBS-UHFFFAOYSA-N 1 1 466.604 1.274 50 0 JDAAMO CC(C)CN1CCO[C@H](CNC(=O)c2ccc(C(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)cc2)C1 ZINC000022694278 519730424 /nfs/dbraw/zinc/73/04/24/519730424.db2.gz AFZVDOCHYCRZHR-DNQXCXABSA-N 1 1 474.646 1.860 50 0 JDAAMO CC(C)CN1CCO[C@H](CNC(=O)c2ccc(C(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)cc2)C1 ZINC000022694278 519730425 /nfs/dbraw/zinc/73/04/25/519730425.db2.gz AFZVDOCHYCRZHR-DNQXCXABSA-N 1 1 474.646 1.860 50 0 JDAAMO CCC[NH+]1CCN(C(=O)c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCCC2)N(C)C3=O)CC1 ZINC000021875582 519856847 /nfs/dbraw/zinc/85/68/47/519856847.db2.gz NGUUIUPCXPDIHZ-XMMPIXPASA-N 1 1 458.607 1.734 50 0 JDAAMO CCCn1nnc2cc(S(=O)(=O)N3CCCC[C@@H]3C(=O)NCCC[NH+]3CCOCC3)ccc21 ZINC000033263070 519896645 /nfs/dbraw/zinc/89/66/45/519896645.db2.gz OPPKHXMRZQLQRH-OAQYLSRUSA-N 1 1 478.619 1.223 50 0 JDAAMO CCCC[N@@H+](C)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 ZINC000008603726 520408217 /nfs/dbraw/zinc/40/82/17/520408217.db2.gz XOOMFNKBMNTCKI-INIZCTEOSA-N 1 1 452.577 1.380 50 0 JDAAMO CC[NH+](CC)CCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1cc(Cl)ccc1OC ZINC000045944185 520644854 /nfs/dbraw/zinc/64/48/54/520644854.db2.gz GGXSSGGHYLPLEX-UHFFFAOYSA-N 1 1 461.028 1.503 50 0 JDAAMO CCOc1ccc(S(=O)(=O)N(CCC[NH+]2CCCCC2)CCC(=O)N2CCNCC2)cc1 ZINC000045945146 521190195 /nfs/dbraw/zinc/19/01/95/521190195.db2.gz WSCCYWZVSUZROL-UHFFFAOYSA-N 1 1 466.648 1.774 50 0 JDAAMO CCCCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@]32c3cc(F)ccc3NC2=O)cc1 ZINC000020518233 521274570 /nfs/dbraw/zinc/27/45/70/521274570.db2.gz PCOQEQSJMJJEIL-MASGSYHESA-N 1 1 464.497 1.969 50 0 JDAAMO CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)c1C ZINC000046046187 521365127 /nfs/dbraw/zinc/36/51/27/521365127.db2.gz PQCRDNYFTMJZRE-UHFFFAOYSA-N 1 1 476.618 1.818 50 0 JDAAMO CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(=O)NCCC[NH+]3CCN(CC)CC3)C2)c1C ZINC000035482211 521377959 /nfs/dbraw/zinc/37/79/59/521377959.db2.gz FGQVEJCABLMPLT-HXUWFJFHSA-N 1 1 475.634 1.804 50 0 JDAAMO CC[N@@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000045966807 521632950 /nfs/dbraw/zinc/63/29/50/521632950.db2.gz TYPXEBMTGDSAIM-LJQANCHMSA-N 1 1 462.591 1.461 50 0 JDAAMO CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000045966807 521632952 /nfs/dbraw/zinc/63/29/52/521632952.db2.gz TYPXEBMTGDSAIM-LJQANCHMSA-N 1 1 462.591 1.461 50 0 JDAAMO CCN1CCC[C@H]1CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000045974517 521653688 /nfs/dbraw/zinc/65/36/88/521653688.db2.gz WDINELULRMPZKN-NRFANRHFSA-N 1 1 450.649 1.792 50 0 JDAAMO CC[NH+]1CCN(C(=O)CN(C)C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)CC1 ZINC000034676309 521663133 /nfs/dbraw/zinc/66/31/33/521663133.db2.gz WGHCYGJXZCNAEJ-UHFFFAOYSA-N 1 1 452.559 1.165 50 0 JDAAMO CCN1CC[NH+](CCCNC(=O)C2CCN(c3nc4cccnc4n(CC)c3=O)CC2)CC1 ZINC000033258967 521680255 /nfs/dbraw/zinc/68/02/55/521680255.db2.gz PMVANTVUPIRDFJ-UHFFFAOYSA-N 1 1 455.607 1.172 50 0 JDAAMO CCN1CC[NH+](CCCNC(=O)c2cc3n(n2)CCCN(Cc2cccc(C)c2)C3=O)CC1 ZINC000064959758 521680808 /nfs/dbraw/zinc/68/08/08/521680808.db2.gz SVCMBDNQTROZFU-UHFFFAOYSA-N 1 1 452.603 1.995 50 0 JDAAMO CCN1CC[NH+](CCCNC(=O)c2cc(S(=O)(=O)N3CCSCC3)ccc2Cl)CC1 ZINC000033131487 521681407 /nfs/dbraw/zinc/68/14/07/521681407.db2.gz AUDLTYNKOPUAER-UHFFFAOYSA-N 1 1 475.080 1.835 50 0 JDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)NCc4ccc5c(c4)OCO5)c(=O)c3s2)CC1 ZINC000021886476 521700671 /nfs/dbraw/zinc/70/06/71/521700671.db2.gz ABGQOLZXTZVXBW-UHFFFAOYSA-N 1 1 456.528 1.040 50 0 JDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4ccc(NC(C)=O)cc4)c(=O)c3s2)CC1 ZINC000067225981 521701975 /nfs/dbraw/zinc/70/19/75/521701975.db2.gz DRDLDUMOZOOMTC-UHFFFAOYSA-N 1 1 455.544 1.592 50 0 JDAAMO CCCN1C(=O)c2cc(C(=O)NCCC[NH+]3CCOCC3)nn2C[C@]1(C)C(=O)NC1CCCC1 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Cn1c(NCCC[NH+]2CCOCC2)nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C ZINC000020291440 555762002 /nfs/dbraw/zinc/76/20/02/555762002.db2.gz PHUGGZNWYMIDTI-UHFFFAOYSA-N 1 1 481.384 1.923 50 0 JDAAMO CC[NH+]1CCN(C(=O)CCc2nnc3ccc(N4CCN(c5cccc(OC)c5)CC4)nn32)CC1 ZINC000020530479 555797551 /nfs/dbraw/zinc/79/75/51/555797551.db2.gz JRRFMCTXZJCFRL-UHFFFAOYSA-N 1 1 478.601 1.556 50 0 JDAAMO Cn1nc(C(=O)NCCC[NH+]2CCOCC2)c2c1CCN(C(=O)c1sccc1Cl)C2 ZINC000014530647 555817673 /nfs/dbraw/zinc/81/76/73/555817673.db2.gz JEOKHNXZSAWGGR-UHFFFAOYSA-N 1 1 451.980 1.786 50 0 JDAAMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)CC2)CC1 ZINC000020578092 555832728 /nfs/dbraw/zinc/83/27/28/555832728.db2.gz IFQPRFYMMDLGQD-HNNXBMFYSA-N 1 1 466.629 1.684 50 0 JDAAMO Cc1cn2c(nc3c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n3C)n1CC[NH+]1CCOCC1 ZINC000020590173 555837959 /nfs/dbraw/zinc/83/79/59/555837959.db2.gz LQTKLZNPKXUBOT-UHFFFAOYSA-N 1 1 474.924 1.631 50 0 JDAAMO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(c3ccc(C(=O)NCCN4CCOCC4)cc3)CC2)C1 ZINC000011913652 555863458 /nfs/dbraw/zinc/86/34/58/555863458.db2.gz YKARJDFHORWQKE-JOCHJYFZSA-N 1 1 472.630 1.993 50 0 JDAAMO COc1ccc([C@@H](CNS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)[NH+](C)C)cc1 ZINC000011997590 555879353 /nfs/dbraw/zinc/87/93/53/555879353.db2.gz GITWVKMQNKJQMA-LJQANCHMSA-N 1 1 467.569 1.343 50 0 JDAAMO O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000011997575 555879429 /nfs/dbraw/zinc/87/94/29/555879429.db2.gz ZRYVEUXIJISFSA-KRWDZBQOSA-N 1 1 453.542 1.462 50 0 JDAAMO Cc1ccc([C@@H](CNS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)[NH+](C)C)cc1 ZINC000011997813 555880020 /nfs/dbraw/zinc/88/00/20/555880020.db2.gz GSTQBQGBIOOVLW-LJQANCHMSA-N 1 1 465.597 1.951 50 0 JDAAMO COc1ccc([C@@H](CNS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2OC)[NH+](C)C)cc1 ZINC000011997944 555880484 /nfs/dbraw/zinc/88/04/84/555880484.db2.gz WWPGDNVNSACDJP-GOSISDBHSA-N 1 1 497.595 1.352 50 0 JDAAMO COc1cc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]c(C)n3)CC2)cc(OC)c1OC ZINC000015671204 555927740 /nfs/dbraw/zinc/92/77/40/555927740.db2.gz RDHRXJAQSWGXDM-UHFFFAOYSA-N 1 1 457.531 1.610 50 0 JDAAMO Cc1cn2c(nc3c2c(=O)n(CCCc2ccccc2)c(=O)n3C)n1CC[NH+]1CCOCC1 ZINC000022409215 555930211 /nfs/dbraw/zinc/93/02/11/555930211.db2.gz RJIFHQGFGTVARD-UHFFFAOYSA-N 1 1 450.543 1.423 50 0 JDAAMO COCCN1C(=O)C[C@@](CC(=O)N2CCN(c3cccc(C)[nH+]3)CC2)(c2cccc(OC)c2)C1=O ZINC000012167529 555933445 /nfs/dbraw/zinc/93/34/45/555933445.db2.gz QETRTCOJJDBVNJ-SANMLTNESA-N 1 1 480.565 1.781 50 0 JDAAMO O=C1C[C@@H](N2CC[NH+](CCO)CC2)C(=O)N1c1ccc(Br)cc1Br ZINC000022874513 555963285 /nfs/dbraw/zinc/96/32/85/555963285.db2.gz HBXAKHHHJOBTGD-CQSZACIVSA-N 1 1 461.154 1.453 50 0 JDAAMO CN1CC[NH+](CCCNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCCC4)ccc32)CC1 ZINC000022937027 555989916 /nfs/dbraw/zinc/98/99/16/555989916.db2.gz GORSSZRZZDAMAI-UHFFFAOYSA-N 1 1 461.632 1.570 50 0 JDAAMO CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)NCCC[NH+]1CCN(CC)CC1)N2C(C)=O ZINC000022937777 555990559 /nfs/dbraw/zinc/99/05/59/555990559.db2.gz ORFPBARWSDEKQZ-QHCPKHFHSA-N 1 1 493.674 1.139 50 0 JDAAMO Cc1cccc(N2CC[NH+](CCNC(=O)CN(C)c3nnc(N4CCCC4=O)s3)CC2)c1C ZINC000015777299 555996866 /nfs/dbraw/zinc/99/68/66/555996866.db2.gz LCSKGAQIOWDHHE-UHFFFAOYSA-N 1 1 471.631 1.656 50 0 JDAAMO COc1cccc(C[N@H+]2CCc3c(C(=O)NCc4nonc4C)c(OC)cc(=O)n3CC2)c1 ZINC000023128449 556017548 /nfs/dbraw/zinc/01/75/48/556017548.db2.gz QDGRGXVTPFIHQQ-UHFFFAOYSA-N 1 1 453.499 1.545 50 0 JDAAMO COc1cccc(C[N@@H+]2CCc3c(C(=O)NCc4nonc4C)c(OC)cc(=O)n3CC2)c1 ZINC000023128449 556017551 /nfs/dbraw/zinc/01/75/51/556017551.db2.gz QDGRGXVTPFIHQQ-UHFFFAOYSA-N 1 1 453.499 1.545 50 0 JDAAMO COCC[NH+]1CCN(C(=O)C[C@@]2(c3ccccc3C)CC(=O)N(Cc3cccnc3)C2=O)CC1 ZINC000023128894 556017967 /nfs/dbraw/zinc/01/79/67/556017967.db2.gz MMOMMQWURLBFGE-SANMLTNESA-N 1 1 464.566 1.768 50 0 JDAAMO CCCCn1c(N)c(N(CC)C(=O)CN2CCC[N@@H+](Cc3ccccc3)CC2)c(=O)[nH]c1=O ZINC000023254008 556035198 /nfs/dbraw/zinc/03/51/98/556035198.db2.gz DZRJPQKXMUVTRJ-UHFFFAOYSA-N 1 1 456.591 1.480 50 0 JDAAMO COc1ccc(OC)c(S(=O)(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C2CCCCCC2)c1 ZINC000015868823 556046745 /nfs/dbraw/zinc/04/67/45/556046745.db2.gz AXPOJWNZRPOMTH-UHFFFAOYSA-N 1 1 489.660 1.652 50 0 JDAAMO COc1cccc(CN(CCS(=O)(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000015868910 556047206 /nfs/dbraw/zinc/04/72/06/556047206.db2.gz NPAKJJJYKDVERW-UHFFFAOYSA-N 1 1 488.031 1.775 50 0 JDAAMO CCCN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000015868958 556047630 /nfs/dbraw/zinc/04/76/30/556047630.db2.gz UHMKZIGFOOHKLZ-UHFFFAOYSA-N 1 1 454.412 1.085 50 0 JDAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000015890458 556061124 /nfs/dbraw/zinc/06/11/24/556061124.db2.gz PMXGGNXBMDGUKL-NRFANRHFSA-N 1 1 486.679 1.553 50 0 JDAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 ZINC000023718541 556085378 /nfs/dbraw/zinc/08/53/78/556085378.db2.gz QNHLQWZXQCMKRZ-HSZRJFAPSA-N 1 1 492.686 1.345 50 0 JDAAMO NC(=O)C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 ZINC000015953554 556087199 /nfs/dbraw/zinc/08/71/99/556087199.db2.gz CYQDZXIVJYKOBF-CCFTVXDOSA-N 1 1 469.295 1.250 50 0 biogenic JDAAMO Cc1cccc(C[NH+]2CCN(C(=O)CN(C)[C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)CC2)c1 ZINC000023762903 556087855 /nfs/dbraw/zinc/08/78/55/556087855.db2.gz AHMRCWBMIWJBDS-IBGZPJMESA-N 1 1 451.571 1.697 50 0 JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)[NH2+][C@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000015956631 556088438 /nfs/dbraw/zinc/08/84/38/556088438.db2.gz HAZDICSIAPABTK-LBGIPMNZSA-N 1 1 469.925 1.958 50 0 biogenic JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)[NH2+][C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000015956864 556088816 /nfs/dbraw/zinc/08/88/16/556088816.db2.gz WDHLJWGPWDLVFW-HOTVIMPFSA-N 1 1 455.898 1.650 50 0 biogenic JDAAMO C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000023817120 556089263 /nfs/dbraw/zinc/08/92/63/556089263.db2.gz KUZBWSDLWGZFFX-HXUWFJFHSA-N 1 1 474.602 1.865 50 0 JDAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@@]32c3cc(Cl)ccc3NC2=O)cc1 ZINC000015958631 556090239 /nfs/dbraw/zinc/09/02/39/556090239.db2.gz GTSCOLQJGCZSNV-BKJGLDIHSA-N 1 1 496.907 1.317 50 0 biogenic JDAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000015958835 556090734 /nfs/dbraw/zinc/09/07/34/556090734.db2.gz IDYAUYJHCDEREF-SAQZZPNQSA-N 1 1 452.898 1.444 50 0 biogenic JDAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969627 556095693 /nfs/dbraw/zinc/09/56/93/556095693.db2.gz IBJQJMXXEBRGSG-NARGUJOISA-N 1 1 466.925 1.487 50 0 biogenic JDAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969633 556095709 /nfs/dbraw/zinc/09/57/09/556095709.db2.gz IBJQJMXXEBRGSG-BKJGLDIHSA-N 1 1 466.925 1.487 50 0 biogenic JDAAMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000023873232 556096800 /nfs/dbraw/zinc/09/68/00/556096800.db2.gz GRFJDMMVFOOPIL-UHFFFAOYSA-N 1 1 470.595 1.280 50 0 JDAAMO NC(=O)C[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@@H]21 ZINC000016011871 556110594 /nfs/dbraw/zinc/11/05/94/556110594.db2.gz VVTBSMYAGVVXCF-KANGHSEISA-N 1 1 473.316 1.789 50 0 JDAAMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)[NH2+][C@@]21c2ccc(Cl)c(C)c2NC1=O ZINC000016012013 556111006 /nfs/dbraw/zinc/11/10/06/556111006.db2.gz MAGHCENZLGOWSY-RSOWOLOUSA-N 1 1 482.924 1.453 50 0 JDAAMO NC(=O)C[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 ZINC000016012637 556111306 /nfs/dbraw/zinc/11/13/06/556111306.db2.gz OQMFCUJHSQGUCN-XNGFIGEISA-N 1 1 456.861 1.275 50 0 JDAAMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000016012846 556111718 /nfs/dbraw/zinc/11/17/18/556111718.db2.gz NIYWENHKSUWDEC-LBGIPMNZSA-N 1 1 469.925 1.958 50 0 JDAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016013166 556112012 /nfs/dbraw/zinc/11/20/12/556112012.db2.gz LPKBYCXQBOYVBB-SYSFZUQMSA-N 1 1 466.925 1.753 50 0 JDAAMO NC(=O)C[C@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000016033842 556117943 /nfs/dbraw/zinc/11/79/43/556117943.db2.gz GDKHVNLGHXSZDG-PPSDVSMJSA-N 1 1 456.861 1.275 50 0 JDAAMO O=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000024836006 556159063 /nfs/dbraw/zinc/15/90/63/556159063.db2.gz WSEVYKCKPYCYAV-IBGZPJMESA-N 1 1 476.624 1.585 50 0 JDAAMO CC(C)[C@@H](CNC(=O)CCn1c2ccc(S(=O)(=O)N3CCCC3)cc2oc1=O)[NH+]1CCOCC1 ZINC000012976282 556169101 /nfs/dbraw/zinc/16/91/01/556169101.db2.gz PFXGMNWVDYOCMF-HXUWFJFHSA-N 1 1 494.614 1.242 50 0 JDAAMO Cc1cccc(NC(=O)CN2CCN(C(=O)C3CC[NH+]([C@@H]4CCS(=O)(=O)C4)CC3)CC2)c1C ZINC000024987975 556170042 /nfs/dbraw/zinc/17/00/42/556170042.db2.gz RNMWWIRXEOEJFE-OAQYLSRUSA-N 1 1 476.643 1.285 50 0 JDAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 ZINC000025139869 556180756 /nfs/dbraw/zinc/18/07/56/556180756.db2.gz FAILHCROPVIOQL-JOCHJYFZSA-N 1 1 478.659 1.938 50 0 JDAAMO COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CC[N@@H+](C)C[C@@H]43)C2=O)cc1OC ZINC000017015729 556204539 /nfs/dbraw/zinc/20/45/39/556204539.db2.gz OBSBAIOQIIZYQT-ATIYNZHBSA-N 1 1 478.549 1.892 50 0 JDAAMO O=S(=O)(c1ccc(N2CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC2)nc1)N1CCOCC1 ZINC000025306723 556207929 /nfs/dbraw/zinc/20/79/29/556207929.db2.gz WYZDPNXXCOELFR-HXUWFJFHSA-N 1 1 450.536 1.097 50 0 JDAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000025330433 556209526 /nfs/dbraw/zinc/20/95/26/556209526.db2.gz LDLQWSKECBWBBB-UHFFFAOYSA-N 1 1 466.387 1.466 50 0 JDAAMO Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=S)NCCC[NH+]3CCOCC3)CC2)c1C ZINC000025460975 556217084 /nfs/dbraw/zinc/21/70/84/556217084.db2.gz JIZWMPVLEKRXPQ-UHFFFAOYSA-N 1 1 468.689 1.823 50 0 JDAAMO CC(C)C[C@@H](CNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[NH+]1CCOCC1 ZINC000026304040 556252124 /nfs/dbraw/zinc/25/21/24/556252124.db2.gz MZEAGNSHLWCMQI-FQEVSTJZSA-N 1 1 468.620 1.254 50 0 JDAAMO CCC(CC)[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[NH+]1CCOCC1 ZINC000026307627 556252132 /nfs/dbraw/zinc/25/21/32/556252132.db2.gz DOAMWPPIURFCCN-NRFANRHFSA-N 1 1 452.621 1.840 50 0 JDAAMO COc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CC[NH+](C)CC2)cc1 ZINC000013095271 556287123 /nfs/dbraw/zinc/28/71/23/556287123.db2.gz XNULLCNXNKVFAW-UHFFFAOYSA-N 1 1 488.610 1.649 50 0 JDAAMO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)cc1 ZINC000018250370 556316243 /nfs/dbraw/zinc/31/62/43/556316243.db2.gz SUXBCJKUIIPOLI-OAHLLOKOSA-N 1 1 485.303 1.360 50 0 JDAAMO CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC[C@H](C)[NH+]3C[C@H](C)O[C@@H](C)C3)c2c1 ZINC000029879399 556359674 /nfs/dbraw/zinc/35/96/74/556359674.db2.gz MVDDUEDJYQUFAW-ULQDDVLXSA-N 1 1 478.615 1.786 50 0 JDAAMO COc1ccc(CC2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000019703048 556360664 /nfs/dbraw/zinc/36/06/64/556360664.db2.gz MPSIKNFPTHKSLH-MOPGFXCFSA-N 1 1 478.549 1.556 50 0 biogenic JDAAMO Cc1cnc(C)c(-c2cc(F)cc3c2O[C@@H](CNC(=O)CC[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)C3)n1 ZINC000019739974 556363672 /nfs/dbraw/zinc/36/36/72/556363672.db2.gz OJRISDRGVPLZLI-RTBURBONSA-N 1 1 476.574 1.828 50 0 JDAAMO Cc1cnc(C)c(-c2cc(F)cc3c2O[C@@H](CNC(=O)CC[N@H+](C)[C@@H]2CCS(=O)(=O)C2)C3)n1 ZINC000019739974 556363675 /nfs/dbraw/zinc/36/36/75/556363675.db2.gz OJRISDRGVPLZLI-RTBURBONSA-N 1 1 476.574 1.828 50 0 JDAAMO COc1ccc(OC)c(CC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(F)cc2)c1 ZINC000031773607 556403750 /nfs/dbraw/zinc/40/37/50/556403750.db2.gz ZHCREOJGPUBBQR-ICSRJNTNSA-N 1 1 457.545 1.615 50 0 JDAAMO COc1ccc(OC)c(CC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000031773609 556403767 /nfs/dbraw/zinc/40/37/67/556403767.db2.gz BMAPOLSVAMMMTE-FPOVZHCZSA-N 1 1 471.572 1.923 50 0 JDAAMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)CC1 ZINC000032666635 556467027 /nfs/dbraw/zinc/46/70/27/556467027.db2.gz YWPLQWFZCHCGMN-YJBOKZPZSA-N 1 1 459.996 1.739 50 0 JDAAMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)CC1 ZINC000032666634 556467159 /nfs/dbraw/zinc/46/71/59/556467159.db2.gz YWPLQWFZCHCGMN-QAPCUYQASA-N 1 1 459.996 1.739 50 0 JDAAMO COc1ccc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cc1S(=O)(=O)NC(C)C ZINC000032809969 556500161 /nfs/dbraw/zinc/50/01/61/556500161.db2.gz AQWZEPXVDPCLCE-UHFFFAOYSA-N 1 1 460.600 1.934 50 0 JDAAMO CCCC[N@H+](CCO)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C ZINC000032819350 556503872 /nfs/dbraw/zinc/50/38/72/556503872.db2.gz IVDXHMHHTNHDCE-UHFFFAOYSA-N 1 1 457.593 1.528 50 0 JDAAMO CCCC[N@@H+](CCO)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C ZINC000032819350 556503877 /nfs/dbraw/zinc/50/38/77/556503877.db2.gz IVDXHMHHTNHDCE-UHFFFAOYSA-N 1 1 457.593 1.528 50 0 JDAAMO O=C(CC[N@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000032870922 556518207 /nfs/dbraw/zinc/51/82/07/556518207.db2.gz XWNUJUQGFNNBBB-UHFFFAOYSA-N 1 1 461.519 1.721 50 0 JDAAMO O=C(CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000032870922 556518209 /nfs/dbraw/zinc/51/82/09/556518209.db2.gz XWNUJUQGFNNBBB-UHFFFAOYSA-N 1 1 461.519 1.721 50 0 JDAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CSc2nc(C3CC3)nc3c2c(=O)[nH]c(=O)n3C2CC2)C1 ZINC000032899338 556526983 /nfs/dbraw/zinc/52/69/83/556526983.db2.gz OLDWJBALNCHKAN-INIZCTEOSA-N 1 1 488.614 1.257 50 0 JDAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CSc2nc(C3CC3)nc3c2c(=O)[nH]c(=O)n3C2CC2)C1 ZINC000032899339 556527056 /nfs/dbraw/zinc/52/70/56/556527056.db2.gz OLDWJBALNCHKAN-MRXNPFEDSA-N 1 1 488.614 1.257 50 0 JDAAMO CC(=O)N1CCSc2ccc(S(=O)(=O)N3CCC([N@@H+](C)CCN4CCOCC4)CC3)cc21 ZINC000032943771 556555975 /nfs/dbraw/zinc/55/59/75/556555975.db2.gz XHOWYRKUSPTXSP-UHFFFAOYSA-N 1 1 482.672 1.562 50 0 JDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)CC1 ZINC000032958617 556573055 /nfs/dbraw/zinc/57/30/55/556573055.db2.gz ZQQPLGCVOAWBRA-KRWDZBQOSA-N 1 1 464.588 1.327 50 0 JDAAMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)CC1 ZINC000032958822 556573798 /nfs/dbraw/zinc/57/37/98/556573798.db2.gz QBHJFLFNKBDJHN-UHFFFAOYSA-N 1 1 470.979 1.236 50 0 JDAAMO COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccc(C(=O)NCCC[NH+]3CCOCC3)cc1)c2=O ZINC000032959280 556575876 /nfs/dbraw/zinc/57/58/76/556575876.db2.gz GVNJKSUWDOFGKY-UHFFFAOYSA-N 1 1 482.562 1.913 50 0 JDAAMO CC(=O)NCCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CC[NH+](C)CC1 ZINC000008723630 562954762 /nfs/dbraw/zinc/95/47/62/562954762.db2.gz NRXIAGDYQRQMPV-UHFFFAOYSA-N 1 1 451.593 1.078 50 0 JDAAMO COc1ccc(N2C[C@H](NC(=O)NCC[NH+]3CCN(c4ccccc4)CC3)CC2=O)cc1OC ZINC000056946403 569593072 /nfs/dbraw/zinc/59/30/72/569593072.db2.gz URPVSZLTZSFLJI-LJQANCHMSA-N 1 1 467.570 1.931 50 0 JDAAMO CC1=[NH+]N(CCN2CCN(c3ccccc3)CC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C ZINC000056979788 569593725 /nfs/dbraw/zinc/59/37/25/569593725.db2.gz UEAGSNQCQYTUHG-QGZVFWFLSA-N 1 1 450.547 1.013 50 0 JDAAMO CC1=NN(CC[NH+]2CCN(c3ccccc3)CC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C ZINC000056979788 569593726 /nfs/dbraw/zinc/59/37/26/569593726.db2.gz UEAGSNQCQYTUHG-QGZVFWFLSA-N 1 1 450.547 1.013 50 0 JDAAMO CC1=[NH+]N(CCN2CCN(c3ccccc3)CC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C ZINC000056979790 569593780 /nfs/dbraw/zinc/59/37/80/569593780.db2.gz UEAGSNQCQYTUHG-KRWDZBQOSA-N 1 1 450.547 1.013 50 0 JDAAMO CC1=NN(CC[NH+]2CCN(c3ccccc3)CC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C ZINC000056979790 569593781 /nfs/dbraw/zinc/59/37/81/569593781.db2.gz UEAGSNQCQYTUHG-KRWDZBQOSA-N 1 1 450.547 1.013 50 0 JDAAMO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CC(N)=O)[NH2+][C@@]23c2cc(Cl)ccc2NC3=O)c1 ZINC000057093559 569594426 /nfs/dbraw/zinc/59/44/26/569594426.db2.gz DTLASVUMNJUMTB-SIMDFCGZSA-N 1 1 458.902 1.997 50 0 JDAAMO CN1CC[NH+](CCCNC(=O)CC2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000032974056 569605361 /nfs/dbraw/zinc/60/53/61/569605361.db2.gz BUHJUIJGUIZYHO-UHFFFAOYSA-N 1 1 457.040 1.885 50 0 JDAAMO CN1CC[NH+](CCCNC(=O)COCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1 ZINC000032987551 569609505 /nfs/dbraw/zinc/60/95/05/569609505.db2.gz CPBYRKOLAIDDDD-UHFFFAOYSA-N 1 1 466.995 1.714 50 0 JDAAMO NC(=O)C1CC[NH+]([C@H](C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c2ccccc2)CC1 ZINC000062728325 569614700 /nfs/dbraw/zinc/61/47/00/569614700.db2.gz GBVGVMCOFCKUIG-QFIPXVFZSA-N 1 1 486.594 1.585 50 0 JDAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)CCC(=O)N2CCc3c(c(C(=O)N4CCCC4)nn3C)C2)C1 ZINC000064565474 569618905 /nfs/dbraw/zinc/61/89/05/569618905.db2.gz ZLLWEZHXICLNPW-LJQANCHMSA-N 1 1 472.634 1.559 50 0 JDAAMO CC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCC[N@H+]3CCC[C@H](C)C3)ccc21 ZINC000033023991 569619760 /nfs/dbraw/zinc/61/97/60/569619760.db2.gz UTMNXZMCYMKGPC-KRWDZBQOSA-N 1 1 450.609 1.871 50 0 JDAAMO CC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCC[N@H+]3CCC[C@@H](C)C3)ccc21 ZINC000033023988 569619776 /nfs/dbraw/zinc/61/97/76/569619776.db2.gz UTMNXZMCYMKGPC-QGZVFWFLSA-N 1 1 450.609 1.871 50 0 JDAAMO CCN(CCC(=O)N1CC[NH+](CC)CC1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O ZINC000034676315 569641483 /nfs/dbraw/zinc/64/14/83/569641483.db2.gz DYCQZLCISJPCAU-UHFFFAOYSA-N 1 1 480.613 1.946 50 0 JDAAMO CC(C)[N@@H+](C)C[C@H](O)CN1CCN(Cc2nc(C(=O)NCc3ccc4c(c3)OCO4)co2)CC1 ZINC000034677222 569641710 /nfs/dbraw/zinc/64/17/10/569641710.db2.gz UCXNMDTUSGAQCD-IBGZPJMESA-N 1 1 473.574 1.152 50 0 JDAAMO Cc1ccc(F)c(NC(=O)c2coc(CN3CC[NH+](C[C@H](O)CN4CCOCC4)CC3)n2)c1 ZINC000034677344 569641858 /nfs/dbraw/zinc/64/18/58/569641858.db2.gz AXBUTFKEYUJYHV-SFHVURJKSA-N 1 1 461.538 1.185 50 0 JDAAMO O=C(Nc1ccc(F)c(Cl)c1)c1coc(CN2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)n1 ZINC000034677516 569641876 /nfs/dbraw/zinc/64/18/76/569641876.db2.gz PCSFXFSNAZFNEJ-KRWDZBQOSA-N 1 1 481.956 1.530 50 0 JDAAMO Cc1ccc(NC(=O)c2coc(CN3CC[NH+](C[C@H](O)CN4CCOCC4)CC3)n2)cc1Cl ZINC000034677570 569641926 /nfs/dbraw/zinc/64/19/26/569641926.db2.gz YTNDOKQMSPERPI-IBGZPJMESA-N 1 1 477.993 1.699 50 0 JDAAMO Cc1ccc(NC(=O)c2coc(CN3CC[NH+](C[C@@H](O)CN4CCOCC4)CC3)n2)cc1Cl ZINC000034677571 569641945 /nfs/dbraw/zinc/64/19/45/569641945.db2.gz YTNDOKQMSPERPI-LJQANCHMSA-N 1 1 477.993 1.699 50 0 JDAAMO Cc1ccc(NC(=O)c2coc(CN3CC[NH+](C[C@H](O)CN4CCOCC4)CC3)n2)cc1F ZINC000034677472 569642035 /nfs/dbraw/zinc/64/20/35/569642035.db2.gz LUIZYBVDQSOHQZ-IBGZPJMESA-N 1 1 461.538 1.185 50 0 JDAAMO CC(C)OC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)N3CCN(c4ccccc4)CC3)co2)CC1 ZINC000034677722 569642183 /nfs/dbraw/zinc/64/21/83/569642183.db2.gz MLFZJQPQGHHQSK-JOCHJYFZSA-N 1 1 471.602 1.541 50 0 JDAAMO CCOC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)N3CCN(c4ccccc4CC)CC3)co2)CC1 ZINC000034677805 569642196 /nfs/dbraw/zinc/64/21/96/569642196.db2.gz WXPHGJLKRMCLLQ-JOCHJYFZSA-N 1 1 485.629 1.714 50 0 JDAAMO O=C(CCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000064889197 569642554 /nfs/dbraw/zinc/64/25/54/569642554.db2.gz TXUYMXZJRYTMHP-UHFFFAOYSA-N 1 1 482.610 1.950 50 0 JDAAMO CC[C@H]1Oc2ccc(S(=O)(=O)N3CCC(C(=O)N4CC[NH+](CC)CC4)CC3)cc2NC1=O ZINC000064921963 569645956 /nfs/dbraw/zinc/64/59/56/569645956.db2.gz XUWINBDKFOJGHL-LJQANCHMSA-N 1 1 464.588 1.361 50 0 JDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)CC1 ZINC000065022061 569648667 /nfs/dbraw/zinc/64/86/67/569648667.db2.gz GFLQEMQGKRHVML-INIZCTEOSA-N 1 1 466.629 1.601 50 0 JDAAMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)sc(=O)n4C)CC2)CC1 ZINC000065022072 569648682 /nfs/dbraw/zinc/64/86/82/569648682.db2.gz JSLRYJQMAIGKBT-UHFFFAOYSA-N 1 1 452.602 1.165 50 0 JDAAMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc2c(cc1Cl)N(Cc1noc(C)n1)C(=O)CO2 ZINC000065022440 569649108 /nfs/dbraw/zinc/64/91/08/569649108.db2.gz UXVJDEJLDQLJHQ-ZDUSSCGKSA-N 1 1 469.951 1.720 50 0 JDAAMO COc1cccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)NC3CCCC3)c2)c1 ZINC000065025325 569650812 /nfs/dbraw/zinc/65/08/12/569650812.db2.gz FXQJRWQWOZOHIS-UHFFFAOYSA-N 1 1 459.572 1.973 50 0 JDAAMO CCN1CC[NH+](CCCNC(=O)[C@H](C)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1 ZINC000065061528 569655463 /nfs/dbraw/zinc/65/54/63/569655463.db2.gz BDCGNHVYCOYVOB-QGZVFWFLSA-N 1 1 469.652 1.472 50 0 JDAAMO CC1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000065078774 569659088 /nfs/dbraw/zinc/65/90/88/569659088.db2.gz GCHHWSOAIDSMDO-UHFFFAOYSA-N 1 1 462.616 1.551 50 0 JDAAMO CC[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)CC2)CC1 ZINC000065085675 569660402 /nfs/dbraw/zinc/66/04/02/569660402.db2.gz OGODWADPHAZTDI-UHFFFAOYSA-N 1 1 462.616 1.551 50 0 JDAAMO CC(C)n1c2ccc(S(=O)(=O)N3CCC(CC(=O)N4CC[NH+](C)CC4)CC3)cc2oc1=O ZINC000065086091 569660623 /nfs/dbraw/zinc/66/06/23/569660623.db2.gz PRCYPGUASVSXDV-UHFFFAOYSA-N 1 1 464.588 1.740 50 0 JDAAMO Cn1cc(C[NH+]2CCN(C(=O)C3CCN(S(=O)(=O)N4CCOCC4)CC3)CC2)c2ccccc21 ZINC000065330083 569674874 /nfs/dbraw/zinc/67/48/74/569674874.db2.gz HNZQLKUKHAQRHY-UHFFFAOYSA-N 1 1 489.642 1.112 50 0 JDAAMO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000065494780 569675641 /nfs/dbraw/zinc/67/56/41/569675641.db2.gz VMEUNRVWMXUCRU-KDURUIRLSA-N 1 1 495.642 1.678 50 0 JDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4ccc(OC)cc4OC)c(=O)c3s2)CC1 ZINC000067225872 569680988 /nfs/dbraw/zinc/68/09/88/569680988.db2.gz IPHXGRSRCUMBBU-UHFFFAOYSA-N 1 1 458.544 1.651 50 0 JDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)N4CCN(c5ccccc5OC)CC4)c(=O)c3s2)CC1 ZINC000067225876 569681000 /nfs/dbraw/zinc/68/10/00/569681000.db2.gz WOFBNDUJAHVFMX-UHFFFAOYSA-N 1 1 497.625 1.352 50 0 JDAAMO Cc1cc2c(c(C)c1)NC(=O)[C@@]21[NH2+][C@@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000035363898 569682699 /nfs/dbraw/zinc/68/26/99/569682699.db2.gz ZOBOOOFWKKFYKT-IOYZJNKASA-N 1 1 463.490 1.334 50 0 biogenic JDAAMO Cc1c2c(ccc1Cl)[C@]1([NH2+][C@H]([C@@H](C)O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000035363882 569682751 /nfs/dbraw/zinc/68/27/51/569682751.db2.gz BWMVPJNRGUQRFV-WRMMMVKGSA-N 1 1 483.908 1.679 50 0 biogenic JDAAMO COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]c(C)n3)CC2)cc1Cl ZINC000067603782 569688639 /nfs/dbraw/zinc/68/86/39/569688639.db2.gz JTUQSJPIPGVRGZ-UHFFFAOYSA-N 1 1 467.979 1.795 50 0 JDAAMO CCOc1ccc([C@@H]2NC(=O)NC(CN3CCC(C(N)=O)([NH+]4CCCCC4)CC3)=C2C(=O)OC)cc1 ZINC000067689667 569690009 /nfs/dbraw/zinc/69/00/09/569690009.db2.gz ISNHGLOIJYDJGJ-QFIPXVFZSA-N 1 1 499.612 1.672 50 0 JDAAMO CCOc1ccccc1[C@H]1NC(=O)N=C(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1C(=O)OC ZINC000067689710 569690181 /nfs/dbraw/zinc/69/01/81/569690181.db2.gz DNDYQSLRQSZQSO-JOCHJYFZSA-N 1 1 499.612 1.672 50 0 JDAAMO CC[N@@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000035401393 569690792 /nfs/dbraw/zinc/69/07/92/569690792.db2.gz LFSAGJQIAFNNSU-SFHVURJKSA-N 1 1 468.620 1.001 50 0 JDAAMO CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000035401393 569690793 /nfs/dbraw/zinc/69/07/93/569690793.db2.gz LFSAGJQIAFNNSU-SFHVURJKSA-N 1 1 468.620 1.001 50 0 JDAAMO C[C@@H]1CCC[C@H](C)[N@H+]1CCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1cccc(F)c1 ZINC000035401602 569690944 /nfs/dbraw/zinc/69/09/44/569690944.db2.gz ZCLBSVHXKLJMNR-KDURUIRLSA-N 1 1 454.612 1.901 50 0 JDAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1cccc(F)c1 ZINC000035401602 569690945 /nfs/dbraw/zinc/69/09/45/569690945.db2.gz ZCLBSVHXKLJMNR-KDURUIRLSA-N 1 1 454.612 1.901 50 0 JDAAMO C[C@H]1CCC[C@H](C)[NH+]1CCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1cccc(F)c1 ZINC000035401607 569690969 /nfs/dbraw/zinc/69/09/69/569690969.db2.gz ZCLBSVHXKLJMNR-OALUTQOASA-N 1 1 454.612 1.901 50 0 JDAAMO C[C@@H]1C[C@H](C)C[N@@H+](CCN(CCC(=O)N2CCNCC2)S(=O)(=O)c2cccc(F)c2)C1 ZINC000035401549 569690974 /nfs/dbraw/zinc/69/09/74/569690974.db2.gz AQAUWILMXHFTBH-KDURUIRLSA-N 1 1 454.612 1.616 50 0 JDAAMO C[C@@H]1C[C@H](C)C[N@H+](CCN(CCC(=O)N2CCNCC2)S(=O)(=O)c2cccc(F)c2)C1 ZINC000035401549 569690975 /nfs/dbraw/zinc/69/09/75/569690975.db2.gz AQAUWILMXHFTBH-KDURUIRLSA-N 1 1 454.612 1.616 50 0 JDAAMO C[C@@H]1C[C@@H](C)C[NH+](CCN(CCC(=O)N2CCNCC2)S(=O)(=O)c2cccc(F)c2)C1 ZINC000035401558 569691025 /nfs/dbraw/zinc/69/10/25/569691025.db2.gz AQAUWILMXHFTBH-RTBURBONSA-N 1 1 454.612 1.616 50 0 JDAAMO CNc1nn2c(nc(C)c(CCC(=O)N3CC[NH+](C)CC3)c2C)c1S(=O)(=O)c1ccccc1 ZINC000085393560 569710134 /nfs/dbraw/zinc/71/01/34/569710134.db2.gz VPQBBCSZQUYDLV-UHFFFAOYSA-N 1 1 470.599 1.927 50 0 JDAAMO COc1ccc(NC(=O)[C@H]2Cc3ccc(OC)cc3N3CC[N@H+](CC(=O)N4CCOCC4)C[C@H]23)cc1 ZINC000035871778 569719045 /nfs/dbraw/zinc/71/90/45/569719045.db2.gz DEBFIQKVEWCRTI-UKILVPOCSA-N 1 1 494.592 1.864 50 0 JDAAMO COc1ccc(NC(=O)[C@H]2Cc3ccc(OC)cc3N3CC[N@@H+](CC(=O)N4CCOCC4)C[C@H]23)cc1 ZINC000035871778 569719046 /nfs/dbraw/zinc/71/90/46/569719046.db2.gz DEBFIQKVEWCRTI-UKILVPOCSA-N 1 1 494.592 1.864 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@H](C(=O)Nc1ccccc1)C2 ZINC000035871772 569719114 /nfs/dbraw/zinc/71/91/14/569719114.db2.gz QSRLKPYFDVPYRQ-ISKFKSNPSA-N 1 1 464.566 1.856 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@H](C(=O)Nc1ccccc1)C2 ZINC000035871772 569719116 /nfs/dbraw/zinc/71/91/16/569719116.db2.gz QSRLKPYFDVPYRQ-ISKFKSNPSA-N 1 1 464.566 1.856 50 0 JDAAMO CC(C)CNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CC(=O)N3CCOCC3)C[C@H]12 ZINC000035908120 569723789 /nfs/dbraw/zinc/72/37/89/569723789.db2.gz PDKQGTSHJBPYET-TZIWHRDSSA-N 1 1 482.547 1.999 50 0 JDAAMO CC(C)CNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]12 ZINC000035908120 569723792 /nfs/dbraw/zinc/72/37/92/569723792.db2.gz PDKQGTSHJBPYET-TZIWHRDSSA-N 1 1 482.547 1.999 50 0 JDAAMO COCCCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CC(=O)N3CCOCC3)C[C@H]12 ZINC000035908124 569723844 /nfs/dbraw/zinc/72/38/44/569723844.db2.gz WAJDRGFTXUNDBM-TZIWHRDSSA-N 1 1 498.546 1.380 50 0 JDAAMO COCCCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]12 ZINC000035908124 569723845 /nfs/dbraw/zinc/72/38/45/569723845.db2.gz WAJDRGFTXUNDBM-TZIWHRDSSA-N 1 1 498.546 1.380 50 0 JDAAMO O=C(C[N@H+]1CCN2c3ccc(C(F)(F)F)cc3C[C@@H](C(=O)N3CCCC3)[C@@H]2C1)N1CCOCC1 ZINC000035908131 569723914 /nfs/dbraw/zinc/72/39/14/569723914.db2.gz IFZCCWLFQHDYEH-CTNGQTDRSA-N 1 1 480.531 1.850 50 0 JDAAMO O=C(C[N@@H+]1CCN2c3ccc(C(F)(F)F)cc3C[C@@H](C(=O)N3CCCC3)[C@@H]2C1)N1CCOCC1 ZINC000035908131 569723915 /nfs/dbraw/zinc/72/39/15/569723915.db2.gz IFZCCWLFQHDYEH-CTNGQTDRSA-N 1 1 480.531 1.850 50 0 JDAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000095480286 569724590 /nfs/dbraw/zinc/72/45/90/569724590.db2.gz VQUJTAHAERHPRM-CYBMUJFWSA-N 1 1 450.337 1.517 50 0 JDAAMO CC[NH+]1CCN(C(=O)CN2CC3=C(C2=O)[C@H](c2ccccc2C(F)(F)F)NC(=O)N3C)CC1 ZINC000035967644 569738941 /nfs/dbraw/zinc/73/89/41/569738941.db2.gz FMZAQVUHZKWOLM-IBGZPJMESA-N 1 1 465.476 1.662 50 0 JDAAMO COCCN(CCC(=O)N1CC[NH+](C)CC1)C(=O)c1cc(-c2cc(OC)ccc2OC)on1 ZINC000036015199 569748975 /nfs/dbraw/zinc/74/89/75/569748975.db2.gz KKWWJAMETHXEPX-UHFFFAOYSA-N 1 1 460.531 1.612 50 0 JDAAMO CCOC[C@@H](O)C[N@@H+](CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N1CCOCC1 ZINC000036249789 569758174 /nfs/dbraw/zinc/75/81/74/569758174.db2.gz VJJNTIFOCSQLMD-QFIPXVFZSA-N 1 1 474.602 1.710 50 0 JDAAMO COc1ccc(C(=O)N2CC[NH+]([C@H](C(=O)N3CCN(C(C)=O)CC3)C3CCCC3)CC2)cc1OC ZINC000036250403 569758268 /nfs/dbraw/zinc/75/82/68/569758268.db2.gz TWYCQKYYWNSTDX-DEOSSOPVSA-N 1 1 486.613 1.711 50 0 JDAAMO COc1ccc(C(=O)N2CC[NH+]([C@@H](C(=O)N3CCN(C(C)=O)CC3)C3CCCC3)CC2)cc1OC ZINC000036250402 569758314 /nfs/dbraw/zinc/75/83/14/569758314.db2.gz TWYCQKYYWNSTDX-XMMPIXPASA-N 1 1 486.613 1.711 50 0 JDAAMO O=C(C[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000036594909 569777237 /nfs/dbraw/zinc/77/72/37/569777237.db2.gz YKCCDXVUFINELW-LJQANCHMSA-N 1 1 450.495 1.775 50 0 JDAAMO O=C(C[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000036593998 569777241 /nfs/dbraw/zinc/77/72/41/569777241.db2.gz DRDYKJMKGAKKPN-LJQANCHMSA-N 1 1 465.510 1.212 50 0 JDAAMO C[C@H](C(=O)N1CC[NH+](C)CC1)N1C(=O)COc2ccc(C(=O)COc3cccc(F)c3)cc21 ZINC000037512310 569791983 /nfs/dbraw/zinc/79/19/83/569791983.db2.gz QEDZFABHGQRVND-MRXNPFEDSA-N 1 1 455.486 1.975 50 0 JDAAMO O=C(COc1ccccc1)N1CCC[N@H+](C[C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)CC1 ZINC000037611615 569799265 /nfs/dbraw/zinc/79/92/65/569799265.db2.gz PGGHIUXMGIYOAN-JOCHJYFZSA-N 1 1 481.549 1.870 50 0 JDAAMO O=C(COc1ccccc1)N1CCC[N@@H+](C[C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)CC1 ZINC000037611615 569799267 /nfs/dbraw/zinc/79/92/67/569799267.db2.gz PGGHIUXMGIYOAN-JOCHJYFZSA-N 1 1 481.549 1.870 50 0 JDAAMO CNS(=O)(=O)c1cc(/C=C/C(=O)NCC[NH+]2CCN(c3cccc(C)c3)CC2)ccc1OC ZINC000040087030 569815852 /nfs/dbraw/zinc/81/58/52/569815852.db2.gz DBHHAALFFWITMN-CSKARUKUSA-N 1 1 472.611 1.863 50 0 JDAAMO NS(=O)(=O)c1ccc(CCNC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000040930111 569834750 /nfs/dbraw/zinc/83/47/50/569834750.db2.gz OUIWULDPLWVKPG-UHFFFAOYSA-N 1 1 469.567 1.955 50 0 JDAAMO COC(=O)C1=C(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318333 569851500 /nfs/dbraw/zinc/85/15/00/569851500.db2.gz DMFVPGPHONLGCL-OAQYLSRUSA-N 1 1 469.586 1.582 50 0 JDAAMO CCOC(=O)C1=C(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318475 569851665 /nfs/dbraw/zinc/85/16/65/569851665.db2.gz XYKOFNOFXBFVGT-QFIPXVFZSA-N 1 1 483.613 1.972 50 0 JDAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@H]([C@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000105379248 569852925 /nfs/dbraw/zinc/85/29/25/569852925.db2.gz NUECCNYFQWXVIR-SUCPGFJNSA-N 1 1 453.926 1.992 50 0 biogenic JDAAMO CCc1ccc2c(c1)[C@]1([NH2+][C@H]([C@H](C)O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000105379203 569852927 /nfs/dbraw/zinc/85/29/27/569852927.db2.gz JJMPDQAERXSDPT-ZADQJZCYSA-N 1 1 463.490 1.279 50 0 biogenic JDAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@@H]([C@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000105379251 569852936 /nfs/dbraw/zinc/85/29/36/569852936.db2.gz NUECCNYFQWXVIR-MGXIVBFVSA-N 1 1 453.926 1.992 50 0 biogenic JDAAMO C[C@H](O)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000105379462 569852947 /nfs/dbraw/zinc/85/29/47/569852947.db2.gz XSTLMEBUFXOMLV-SQGVNIDNSA-N 1 1 469.881 1.370 50 0 biogenic JDAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000105767185 569853421 /nfs/dbraw/zinc/85/34/21/569853421.db2.gz IHKYZFYUTZQNTO-JKSUJKDBSA-N 1 1 454.556 1.885 50 0 JDAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000105767185 569853422 /nfs/dbraw/zinc/85/34/22/569853422.db2.gz IHKYZFYUTZQNTO-JKSUJKDBSA-N 1 1 454.556 1.885 50 0 JDAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CN1c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC[C@H]2C1=O ZINC000106348474 569854108 /nfs/dbraw/zinc/85/41/08/569854108.db2.gz DNFAQZUBVHIACU-RXVVDRJESA-N 1 1 491.658 1.633 50 0 JDAAMO CC[C@]12CCC[N@H+]3CC[C@@]4(c5ccc(OC)cc5N(C)[C@@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32 ZINC000108473725 569859526 /nfs/dbraw/zinc/85/95/26/569859526.db2.gz ZMQCYQNIMQXFOW-GNKWMNRNSA-N 1 1 458.555 1.865 50 0 biogenic JDAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@@H](C(=O)NCc1ccccc1)C2 ZINC000169678428 569869132 /nfs/dbraw/zinc/86/91/32/569869132.db2.gz VDSCJVSHDLZWIS-UKILVPOCSA-N 1 1 478.593 1.533 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@@H](C(=O)NCc1ccccc1)C2 ZINC000169678428 569869133 /nfs/dbraw/zinc/86/91/33/569869133.db2.gz VDSCJVSHDLZWIS-UKILVPOCSA-N 1 1 478.593 1.533 50 0 JDAAMO CCn1cc(C(=O)N[C@@H](C(=O)NCCC[NH+]2CCOCC2)C(C)C)c(=O)c2cc3c(cc21)OCO3 ZINC000209068901 569875962 /nfs/dbraw/zinc/87/59/62/569875962.db2.gz XCBKRSOISFLSKT-JOCHJYFZSA-N 1 1 486.569 1.343 50 0 JDAAMO CC(=O)N1CCC(Nc2cc(C(=O)NC[C@H](O)C[N@H+]3CCc4ccccc4C3)ncn2)CC1 ZINC000220119494 569883606 /nfs/dbraw/zinc/88/36/06/569883606.db2.gz JLCCNYVTIWRPIZ-NRFANRHFSA-N 1 1 452.559 1.048 50 0 JDAAMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000230018458 570043493 /nfs/dbraw/zinc/04/34/93/570043493.db2.gz SJIZLSKWOMRBFP-AVGVDARLSA-N 1 1 455.898 1.650 50 0 biogenic JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)[NH2+][C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000230016571 570043627 /nfs/dbraw/zinc/04/36/27/570043627.db2.gz RBPAMSGCBPOMDZ-FMRKIWJVSA-N 1 1 455.898 1.650 50 0 biogenic JDAAMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(CC(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)C2)cc1 ZINC000230096266 570044837 /nfs/dbraw/zinc/04/48/37/570044837.db2.gz XKNQTAUMAYCPTD-VXKWHMMOSA-N 1 1 480.675 1.458 50 0 JDAAMO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2CCCC[C@H]2C)c(C)c1 ZINC000230097318 570044882 /nfs/dbraw/zinc/04/48/82/570044882.db2.gz ONBYUAUYNWKVOD-OAQYLSRUSA-N 1 1 450.649 1.990 50 0 JDAAMO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2CCCC[C@H]2C)c(C)c1 ZINC000230097318 570044883 /nfs/dbraw/zinc/04/48/83/570044883.db2.gz ONBYUAUYNWKVOD-OAQYLSRUSA-N 1 1 450.649 1.990 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]1[C@@H](C(=O)NCCc1ccccc1)C2 ZINC000230129095 570045386 /nfs/dbraw/zinc/04/53/86/570045386.db2.gz KZDSZYIATZFPJN-AHWVRZQESA-N 1 1 492.620 1.576 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@H]1[C@@H](C(=O)NCCc1ccccc1)C2 ZINC000230129095 570045387 /nfs/dbraw/zinc/04/53/87/570045387.db2.gz KZDSZYIATZFPJN-AHWVRZQESA-N 1 1 492.620 1.576 50 0 JDAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CN1c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC[C@H]2C1=O ZINC000230169558 570046109 /nfs/dbraw/zinc/04/61/09/570046109.db2.gz DNFAQZUBVHIACU-NQIIRXRSSA-N 1 1 491.658 1.633 50 0 JDAAMO CCC[C@@H]1C[C@H](C(=O)N[C@]2([C@H](C)OC(C)=O)O[C@H](SC)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)[N@@H+](C)C1 ZINC000239038375 570048576 /nfs/dbraw/zinc/04/85/76/570048576.db2.gz DARVXQDVSMWTSV-WZNVRCSCSA-N 1 1 560.666 1.385 50 0 biogenic JDAAMO CCC[C@@H]1C[C@H](C(=O)N[C@]2([C@H](C)OC(C)=O)O[C@H](SC)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[N@@H+](C)C1 ZINC000239038372 570048589 /nfs/dbraw/zinc/04/85/89/570048589.db2.gz DARVXQDVSMWTSV-FYXJEYQUSA-N 1 1 560.666 1.385 50 0 biogenic JDAAMO CCc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@H+]2CCCC[C@H]2C)cc1 ZINC000245237916 570057353 /nfs/dbraw/zinc/05/73/53/570057353.db2.gz IAVXNLWUYUKFBV-HXUWFJFHSA-N 1 1 450.649 1.936 50 0 JDAAMO CCc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2CCCC[C@H]2C)cc1 ZINC000245237916 570057355 /nfs/dbraw/zinc/05/73/55/570057355.db2.gz IAVXNLWUYUKFBV-HXUWFJFHSA-N 1 1 450.649 1.936 50 0 JDAAMO CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccccc3)CC2)CC1 ZINC000245255891 570060266 /nfs/dbraw/zinc/06/02/66/570060266.db2.gz MFKOQQBQMPADCC-WGSAOQKQSA-N 1 1 450.605 1.052 50 0 JDAAMO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccccc1)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 ZINC000245318910 570064020 /nfs/dbraw/zinc/06/40/20/570064020.db2.gz XIORALMPLAEYAS-FIXDAVPBSA-N 1 1 467.909 1.934 50 0 JDAAMO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccccc1)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 ZINC000245318912 570064104 /nfs/dbraw/zinc/06/41/04/570064104.db2.gz XIORALMPLAEYAS-ZSTWQFLISA-N 1 1 467.909 1.934 50 0 JDAAMO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 ZINC000245318911 570064125 /nfs/dbraw/zinc/06/41/25/570064125.db2.gz XIORALMPLAEYAS-KTIHBUSBSA-N 1 1 467.909 1.934 50 0 JDAAMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 ZINC000245380657 570067512 /nfs/dbraw/zinc/06/75/12/570067512.db2.gz FWMXFYXVIUBEJA-ZWKOTPCHSA-N 1 1 478.615 1.913 50 0 JDAAMO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000247814880 570069768 /nfs/dbraw/zinc/06/97/68/570069768.db2.gz FRZXJZPCLKMHAP-KTIHBUSBSA-N 1 1 467.909 1.934 50 0 JDAAMO COCCN1C(=O)[C@@H]2[C@H]([C@H](O)c3ccc(Cl)cc3)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000247838942 570069944 /nfs/dbraw/zinc/06/99/44/570069944.db2.gz KEECINBCUAKNDE-YULQKLFDSA-N 1 1 455.898 1.440 50 0 JDAAMO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000250986840 570079291 /nfs/dbraw/zinc/07/92/91/570079291.db2.gz HFCUDACRNPYGEU-CPLUKWAASA-N 1 1 468.620 1.792 50 0 JDAAMO COc1ccc(CN2C(=O)N[C@H](CC(=O)N3CC[NH+](CCc4ccccn4)CC3)C2=O)cc1 ZINC000252527737 570083133 /nfs/dbraw/zinc/08/31/33/570083133.db2.gz DFQDFOFWIIRVHI-OAQYLSRUSA-N 1 1 451.527 1.492 50 0 JDAAMO Cc1c2c(ccc1Cl)[C@]1([NH2+][C@H]([C@H](C)O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000252693305 570094635 /nfs/dbraw/zinc/09/46/35/570094635.db2.gz BWMVPJNRGUQRFV-AFBPOQOWSA-N 1 1 483.908 1.679 50 0 biogenic JDAAMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 ZINC000253427011 570098804 /nfs/dbraw/zinc/09/88/04/570098804.db2.gz KJQIKCQWRXCUEZ-GOSISDBHSA-N 1 1 474.023 1.546 50 0 JDAAMO CC[NH+]1CCN(C(=O)c2cc(NS(=O)(=O)N(C)C)cc3nc(CC(C)C)n(C)c32)CC1 ZINC000299763887 570175043 /nfs/dbraw/zinc/17/50/43/570175043.db2.gz GSYYCWMRWZAUGZ-UHFFFAOYSA-N 1 1 450.609 1.768 50 0 JDAAMO Cn1c2nc(N3CC[NH+](C)CC3)n(CCSc3nc4ccccc4s3)c2c(=O)[nH]c1=O ZINC000001246095 194079365 /nfs/dbraw/zinc/07/93/65/194079365.db2.gz QPXUQQLTAWEAOS-UHFFFAOYSA-N 1 1 457.585 1.577 50 0 JDAAMO CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCC[NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000004057369 194373223 /nfs/dbraw/zinc/37/32/23/194373223.db2.gz XXLBWYXKDSBOCQ-IBGZPJMESA-N 1 1 454.612 1.906 50 0 JDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21 ZINC000009962962 195039836 /nfs/dbraw/zinc/03/98/36/195039836.db2.gz ISPMYWRRTYDCED-SFHVURJKSA-N 1 1 478.615 1.433 50 0 JDAAMO O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012683876 195085312 /nfs/dbraw/zinc/08/53/12/195085312.db2.gz FDJRFBMRNADSFY-JOCHJYFZSA-N 1 1 484.622 1.690 50 0 JDAAMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)CC1 ZINC000012848339 195153385 /nfs/dbraw/zinc/15/33/85/195153385.db2.gz HLUGJFAHOXPZBF-OAHLLOKOSA-N 1 1 463.431 1.852 50 0 JDAAMO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000012872881 195164339 /nfs/dbraw/zinc/16/43/39/195164339.db2.gz MHEZINUHTKXBBV-NRFANRHFSA-N 1 1 476.643 1.285 50 0 JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](C)O)[NH2+][C@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000020610477 195183656 /nfs/dbraw/zinc/18/36/56/195183656.db2.gz HAZDICSIAPABTK-YWTZNMIMSA-N 1 1 469.925 1.958 50 0 biogenic JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@]32c3cc(C)cc(Cl)c3NC2=O)cc1 ZINC000020611499 195185244 /nfs/dbraw/zinc/18/52/44/195185244.db2.gz FKNYZLPNAVUPGM-NARGUJOISA-N 1 1 482.924 1.453 50 0 biogenic JDAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@]32c3cc(Cl)ccc3NC2=O)cc1 ZINC000020611541 195185308 /nfs/dbraw/zinc/18/53/08/195185308.db2.gz GTSCOLQJGCZSNV-NARGUJOISA-N 1 1 496.907 1.317 50 0 biogenic JDAAMO COc1ccc(C[N@H+]2CCc3c(C(=O)NCCCn4ccnc4)c(OC)cc(=O)n3CC2)cc1 ZINC000020912234 195245832 /nfs/dbraw/zinc/24/58/32/195245832.db2.gz WDXLDOIVDAAIGX-UHFFFAOYSA-N 1 1 465.554 1.940 50 0 JDAAMO COc1ccc(C[N@@H+]2CCc3c(C(=O)NCCCn4ccnc4)c(OC)cc(=O)n3CC2)cc1 ZINC000020912234 195245835 /nfs/dbraw/zinc/24/58/35/195245835.db2.gz WDXLDOIVDAAIGX-UHFFFAOYSA-N 1 1 465.554 1.940 50 0 JDAAMO O=c1ccc(-c2ccc(S(=O)(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)s2)n[nH]1 ZINC000020984973 195260377 /nfs/dbraw/zinc/26/03/77/195260377.db2.gz RWCXYKARAOSUSO-UHFFFAOYSA-N 1 1 459.597 1.989 50 0 JDAAMO COC(=O)c1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)cc1 ZINC000020997322 195264860 /nfs/dbraw/zinc/26/48/60/195264860.db2.gz JYWYQNGNHDXJJT-UHFFFAOYSA-N 1 1 463.538 1.861 50 0 JDAAMO C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021005497 195265795 /nfs/dbraw/zinc/26/57/95/195265795.db2.gz HPQKAGFRADPQOI-SFHVURJKSA-N 1 1 459.568 1.859 50 0 JDAAMO O=C(CCc1nnc2ccc(NCCCN3CCCC3=O)nn21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021024250 195268824 /nfs/dbraw/zinc/26/88/24/195268824.db2.gz IZXPJWIWCVPOOS-UHFFFAOYSA-N 1 1 490.612 1.826 50 0 JDAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000021114339 195278419 /nfs/dbraw/zinc/27/84/19/195278419.db2.gz CGTJYWYEHUWNBO-IBGZPJMESA-N 1 1 483.974 1.403 50 0 JDAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000021114344 195278566 /nfs/dbraw/zinc/27/85/66/195278566.db2.gz CGTJYWYEHUWNBO-LJQANCHMSA-N 1 1 483.974 1.403 50 0 JDAAMO CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000021887755 195325550 /nfs/dbraw/zinc/32/55/50/195325550.db2.gz GCICGOVXQRSNHS-UHFFFAOYSA-N 1 1 463.600 1.682 50 0 biogenic JDAAMO CCC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000021926083 195334452 /nfs/dbraw/zinc/33/44/52/195334452.db2.gz HYXYCVHHZIRZTK-QFIPXVFZSA-N 1 1 492.642 1.367 50 0 JDAAMO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc1)C2=O ZINC000058427346 195379151 /nfs/dbraw/zinc/37/91/51/195379151.db2.gz KAFPOWARYRQOOT-SDWUMEBZSA-N 1 1 455.559 1.823 50 0 JDAAMO CCOc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCC[N@@H+](CC)C3)CC2)cc1OCC ZINC000058155733 195367172 /nfs/dbraw/zinc/36/71/72/195367172.db2.gz OPHDRGGHXYJMRU-GOSISDBHSA-N 1 1 468.620 1.984 50 0 JDAAMO Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)CC2)cn1C ZINC000058265910 195375510 /nfs/dbraw/zinc/37/55/10/195375510.db2.gz RXGTZUPPBVYLPQ-UHFFFAOYSA-N 1 1 459.616 1.864 50 0 JDAAMO Cc1nn(-c2ccccc2)c2c1nc(CCC(=O)NCCC[NH+]1CCN(C)CC1)c(=O)n2C ZINC000021640899 195318752 /nfs/dbraw/zinc/31/87/52/195318752.db2.gz YZDIBHKVJMUDET-UHFFFAOYSA-N 1 1 451.575 1.114 50 0 JDAAMO CC[C@]12C=CC[N@H+]3CC[C@]4(c5ccc(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@H]1OC(C)=O)[C@H]32 ZINC000059065349 195387165 /nfs/dbraw/zinc/38/71/65/195387165.db2.gz CXBGOBGJHGGWIE-BYYILIDTSA-N 1 1 456.539 1.641 50 0 in-vitro JDAAMO 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O=C(Cn1cnc(S(=O)(=O)N2CCCC2)c1)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000015734689 555980497 /nfs/dbraw/zinc/98/04/97/555980497.db2.gz IWLDVVIVWWAXSK-UHFFFAOYSA-N 1 1 478.594 1.135 50 0 JDAAMO COc1ccc(/C=C/C(=O)NCC(=O)N2CCC([N@@H+](C)CCN3CCOCC3)CC2)cc1OC ZINC000022932072 555984912 /nfs/dbraw/zinc/98/49/12/555984912.db2.gz VLKCDHJHRUJOST-FNORWQNLSA-N 1 1 474.602 1.088 50 0 JDAAMO O=C(Cn1ncn2nc(-c3ccccc3)cc2c1=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022937625 555990654 /nfs/dbraw/zinc/99/06/54/555990654.db2.gz GOMZBKORIFLBLO-UHFFFAOYSA-N 1 1 485.592 1.882 50 0 JDAAMO CCN1CC[NH+](Cc2ccc(NC(=O)Cn3cnc(S(=O)(=O)N4CCCCC4)c3)cc2)CC1 ZINC000022937473 555990664 /nfs/dbraw/zinc/99/06/64/555990664.db2.gz HQOZQSNXHFJKJF-UHFFFAOYSA-N 1 1 474.631 1.834 50 0 JDAAMO CCN1CC[NH+](CCCNC(=O)CCc2nc3c(C)nn(-c4ccc(C)cc4)c3n(C)c2=O)CC1 ZINC000022937841 555990981 /nfs/dbraw/zinc/99/09/81/555990981.db2.gz PVVYRMGAJYPFPF-UHFFFAOYSA-N 1 1 479.629 1.812 50 0 JDAAMO Cc1nn(-c2ccc(C)cc2)c2c1nc(CCC(=O)NCCC[NH+]1CCN(C)CC1)c(=O)n2C ZINC000022937839 555991079 /nfs/dbraw/zinc/99/10/79/555991079.db2.gz ZPFOKTUTILHMNZ-UHFFFAOYSA-N 1 1 465.602 1.422 50 0 JDAAMO CCN1CC[NH+](CCCNC(=O)CN2c3ccccc3N(C(=O)NCc3ccccc3)CC2=O)CC1 ZINC000022938052 555991107 /nfs/dbraw/zinc/99/11/07/555991107.db2.gz PCTPYMUEMXZPNS-UHFFFAOYSA-N 1 1 492.624 1.893 50 0 JDAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)C1 ZINC000023103958 556008230 /nfs/dbraw/zinc/00/82/30/556008230.db2.gz HUUHZWDOEXUSAQ-SFHVURJKSA-N 1 1 487.582 1.744 50 0 JDAAMO Cc1ccccc1[C@]1(CC(=O)N2CC[NH+](CCO)CC2)CC(=O)N(Cc2ccncc2)C1=O ZINC000023129273 556018361 /nfs/dbraw/zinc/01/83/61/556018361.db2.gz FSRFXXVSOHVTEN-VWLOTQADSA-N 1 1 450.539 1.114 50 0 JDAAMO C[C@H](NC(=O)C(=O)NCCN1CCOCC1)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023181173 556027674 /nfs/dbraw/zinc/02/76/74/556027674.db2.gz IXSCCTHVLGDIGQ-XUZZJYLKSA-N 1 1 499.681 1.560 50 0 JDAAMO CC[N@@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1cc(OC)ccc1OC ZINC000015862691 556035903 /nfs/dbraw/zinc/03/59/03/556035903.db2.gz RYALVKQIVMPHDD-SFHVURJKSA-N 1 1 468.620 1.001 50 0 JDAAMO CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1cc(OC)ccc1OC ZINC000015862691 556035907 /nfs/dbraw/zinc/03/59/07/556035907.db2.gz RYALVKQIVMPHDD-SFHVURJKSA-N 1 1 468.620 1.001 50 0 JDAAMO CCn1c(=O)c(N2CCN(C(=O)[C@H](C)Cn3cc[nH+]c3C)CC2)c(C)n(-c2ccccc2)c1=O ZINC000015863315 556037565 /nfs/dbraw/zinc/03/75/65/556037565.db2.gz YMBCLYWKVPNRBJ-GOSISDBHSA-N 1 1 464.570 1.817 50 0 JDAAMO CC(=O)Nc1ccc(S(=O)(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C2CCCCCC2)cc1 ZINC000015868820 556046767 /nfs/dbraw/zinc/04/67/67/556046767.db2.gz NVLMKZJQBLERSI-UHFFFAOYSA-N 1 1 486.660 1.594 50 0 JDAAMO COc1ccc(S(=O)(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)Cc2ccccc2OC)cc1 ZINC000015868802 556046862 /nfs/dbraw/zinc/04/68/62/556046862.db2.gz CBRGDHZSNRNMMD-UHFFFAOYSA-N 1 1 483.612 1.130 50 0 JDAAMO COCCN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000015868900 556047079 /nfs/dbraw/zinc/04/70/79/556047079.db2.gz NGKYTYUEASSJGT-UHFFFAOYSA-N 1 1 473.661 1.606 50 0 JDAAMO COc1cccc(CN(CCS(=O)(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccccc2)c1 ZINC000015868913 556047141 /nfs/dbraw/zinc/04/71/41/556047141.db2.gz HKKIJPNYSUTBGM-UHFFFAOYSA-N 1 1 453.586 1.121 50 0 JDAAMO COc1cccc(CN(CCS(=O)(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000015868911 556047158 /nfs/dbraw/zinc/04/71/58/556047158.db2.gz ALUSUJMWKVECKW-UHFFFAOYSA-N 1 1 471.576 1.260 50 0 JDAAMO CC(=O)Nc1ccc(S(=O)(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C2CCCCC2)cc1 ZINC000015868953 556047496 /nfs/dbraw/zinc/04/74/96/556047496.db2.gz OTLMJERTRILLRF-UHFFFAOYSA-N 1 1 472.633 1.203 50 0 JDAAMO COc1ccc(S(=O)(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C[C@@H](C)c2ccccc2)cc1 ZINC000015868928 556047572 /nfs/dbraw/zinc/04/75/72/556047572.db2.gz HOTNPRAFWIMPKW-LJQANCHMSA-N 1 1 481.640 1.725 50 0 JDAAMO Cc1ccc(S(=O)(=O)N(CCCc2ccccc2)CCS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000015868978 556047721 /nfs/dbraw/zinc/04/77/21/556047721.db2.gz FUUCBLWHADNCHL-UHFFFAOYSA-N 1 1 465.641 1.854 50 0 JDAAMO Cc1ccc(S(=O)(=O)N(CC[N@@H+]2CCCC[C@H]2C)CCS(=O)(=O)N2CCNCC2)c(C)c1 ZINC000015869005 556047984 /nfs/dbraw/zinc/04/79/84/556047984.db2.gz KMYAXCQUKNOBRP-OAQYLSRUSA-N 1 1 486.704 1.404 50 0 JDAAMO C[C@H]1CCCC[N@H+]1CCN(CCS(=O)(=O)N1CCNCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000015868998 556048096 /nfs/dbraw/zinc/04/80/96/556048096.db2.gz OYRAWTYZJPIGBR-SFHVURJKSA-N 1 1 493.095 1.440 50 0 JDAAMO COc1ccc(C[N@@H+]2C[C@@H](CN3CCN(C)CC3)C[C@@H](C(=O)NC[C@H]3CCCO3)C2)cc1OC ZINC000023353902 556048461 /nfs/dbraw/zinc/04/84/61/556048461.db2.gz JCPPOKNKOYEQGD-DNVJHFABSA-N 1 1 474.646 1.685 50 0 JDAAMO COc1ccc(C[N@H+]2C[C@@H](CN3CCN(C)CC3)C[C@@H](C(=O)NC[C@H]3CCCO3)C2)cc1OC ZINC000023353902 556048464 /nfs/dbraw/zinc/04/84/64/556048464.db2.gz JCPPOKNKOYEQGD-DNVJHFABSA-N 1 1 474.646 1.685 50 0 JDAAMO O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012562162 556056249 /nfs/dbraw/zinc/05/62/49/556056249.db2.gz YOJXSTJYDLOYQN-UHFFFAOYSA-N 1 1 457.596 1.985 50 0 JDAAMO Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(CC(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)CC2)c1C ZINC000023731062 556085656 /nfs/dbraw/zinc/08/56/56/556085656.db2.gz KTWXOZOQSCHHNI-QHCPKHFHSA-N 1 1 494.702 1.700 50 0 JDAAMO CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)CC2=O)cc1 ZINC000023732394 556086041 /nfs/dbraw/zinc/08/60/41/556086041.db2.gz YJNPOTFIHSUYDT-CTNGQTDRSA-N 1 1 492.642 1.393 50 0 JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@@]32c3cc(Cl)cc(C)c3NC2=O)cc1 ZINC000015956691 556088824 /nfs/dbraw/zinc/08/88/24/556088824.db2.gz RTLALERPMMDQFG-BKJGLDIHSA-N 1 1 482.924 1.453 50 0 biogenic JDAAMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000015958444 556089952 /nfs/dbraw/zinc/08/99/52/556089952.db2.gz SJIZLSKWOMRBFP-HOTVIMPFSA-N 1 1 455.898 1.650 50 0 biogenic JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@@]32c3cccc(Cl)c3NC2=O)cc1 ZINC000015958588 556090213 /nfs/dbraw/zinc/09/02/13/556090213.db2.gz WRKDYLMLFCNVHJ-VGHKVXAASA-N 1 1 468.897 1.145 50 0 JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@@]32c3cccc(Cl)c3NC2=O)cc1 ZINC000015958589 556090221 /nfs/dbraw/zinc/09/02/21/556090221.db2.gz WRKDYLMLFCNVHJ-XITLKHQFSA-N 1 1 468.897 1.145 50 0 biogenic JDAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000015958833 556090704 /nfs/dbraw/zinc/09/07/04/556090704.db2.gz IDYAUYJHCDEREF-XQNUDUSMSA-N 1 1 452.898 1.444 50 0 biogenic JDAAMO CCc1ccc2c(c1)[C@]1([NH2+][C@H]([C@@H](C)O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000015959169 556090794 /nfs/dbraw/zinc/09/07/94/556090794.db2.gz JJMPDQAERXSDPT-BMRBBKCXSA-N 1 1 463.490 1.279 50 0 biogenic JDAAMO C[C@H](O)[C@@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000015969305 556095253 /nfs/dbraw/zinc/09/52/53/556095253.db2.gz DZSFDEYHFSBIKV-SOHLIIOZSA-N 1 1 469.881 1.370 50 0 biogenic JDAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969892 556095926 /nfs/dbraw/zinc/09/59/26/556095926.db2.gz NAMMSLZIEDUSTO-SYSFZUQMSA-N 1 1 466.925 1.487 50 0 biogenic JDAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969890 556096013 /nfs/dbraw/zinc/09/60/13/556096013.db2.gz NAMMSLZIEDUSTO-DOGKRZLPSA-N 1 1 466.925 1.487 50 0 biogenic JDAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016009732 556108686 /nfs/dbraw/zinc/10/86/86/556108686.db2.gz POBTUOSSPLAQCR-XITLKHQFSA-N 1 1 470.888 1.584 50 0 JDAAMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@@]21c2ccccc2NC1=O ZINC000016010102 556109479 /nfs/dbraw/zinc/10/94/79/556109479.db2.gz QUYBGSKJGHEJLJ-WBRFWCBQSA-N 1 1 454.870 1.149 50 0 JDAAMO NC(=O)C[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 ZINC000016011873 556110984 /nfs/dbraw/zinc/11/09/84/556110984.db2.gz VVTBSMYAGVVXCF-YDGKCNFYSA-N 1 1 473.316 1.789 50 0 JDAAMO NC(=O)C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@@H]21 ZINC000016012635 556111420 /nfs/dbraw/zinc/11/14/20/556111420.db2.gz OQMFCUJHSQGUCN-PBWVOLNLSA-N 1 1 456.861 1.275 50 0 JDAAMO NC(=O)C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21 ZINC000016012658 556111752 /nfs/dbraw/zinc/11/17/52/556111752.db2.gz KSSQZJDNMRKHRM-CCFTVXDOSA-N 1 1 459.289 1.794 50 0 JDAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016013164 556112077 /nfs/dbraw/zinc/11/20/77/556112077.db2.gz LPKBYCXQBOYVBB-DOGKRZLPSA-N 1 1 466.925 1.753 50 0 JDAAMO NC(=O)C[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000016013141 556112120 /nfs/dbraw/zinc/11/21/20/556112120.db2.gz VSKSPZHWNJAIFH-YDGKCNFYSA-N 1 1 456.861 1.275 50 0 JDAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016013190 556112126 /nfs/dbraw/zinc/11/21/26/556112126.db2.gz SBLZMJXTOYBWAV-DOGKRZLPSA-N 1 1 450.470 1.239 50 0 JDAAMO Cc1cccc2c1NC(=O)[C@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016021297 556113691 /nfs/dbraw/zinc/11/36/91/556113691.db2.gz DJFORABKBRCNIF-VGHKVXAASA-N 1 1 452.898 1.444 50 0 JDAAMO NC(=O)C[C@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000016033840 556117949 /nfs/dbraw/zinc/11/79/49/556117949.db2.gz GDKHVNLGHXSZDG-SKGWCBBHSA-N 1 1 456.861 1.275 50 0 JDAAMO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012922619 556141417 /nfs/dbraw/zinc/14/14/17/556141417.db2.gz VJNCTBUNWMXNSI-FGZHOGPDSA-N 1 1 473.643 1.682 50 0 JDAAMO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)n2)cc1 ZINC000024822984 556156874 /nfs/dbraw/zinc/15/68/74/556156874.db2.gz WLYBONCGCKLKFI-UHFFFAOYSA-N 1 1 475.615 1.793 50 0 JDAAMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000012945853 556157308 /nfs/dbraw/zinc/15/73/08/556157308.db2.gz WYWJHHRPNDJHKP-OAHLLOKOSA-N 1 1 463.431 1.852 50 0 JDAAMO COc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H](C(C)C)[NH+]3CCOCC3)CC2)cc1 ZINC000026302219 556251790 /nfs/dbraw/zinc/25/17/90/556251790.db2.gz JGQXPRWIMFVCKG-FQEVSTJZSA-N 1 1 454.593 1.068 50 0 JDAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)C2=Cc3ccccc3OC2)CC1 ZINC000018084508 556285547 /nfs/dbraw/zinc/28/55/47/556285547.db2.gz DWFZYFFORAEOEM-UHFFFAOYSA-N 1 1 498.605 1.874 50 0 JDAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000028724954 556340293 /nfs/dbraw/zinc/34/02/93/556340293.db2.gz MFWIFRYVGVFSDO-LJQANCHMSA-N 1 1 498.609 1.597 50 0 JDAAMO CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC[C@H](C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000029879397 556359590 /nfs/dbraw/zinc/35/95/90/556359590.db2.gz MVDDUEDJYQUFAW-YESZJQIVSA-N 1 1 478.615 1.786 50 0 JDAAMO CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC[C@H](C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000029879397 556359595 /nfs/dbraw/zinc/35/95/95/556359595.db2.gz MVDDUEDJYQUFAW-YESZJQIVSA-N 1 1 478.615 1.786 50 0 JDAAMO COc1ccccc1CC1(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(=O)N(C)C(=O)N(C)C1=O ZINC000019703396 556360557 /nfs/dbraw/zinc/36/05/57/556360557.db2.gz UFJWNEVJHFOPFC-MJGOQNOKSA-N 1 1 478.549 1.556 50 0 biogenic JDAAMO COc1cc(=O)n2c(c1C(=O)NCc1ccco1)CC[N@@H+](Cc1cccc(OCCO)c1)CC2 ZINC000019742025 556364596 /nfs/dbraw/zinc/36/45/96/556364596.db2.gz XWNYQJDGOPOSNP-UHFFFAOYSA-N 1 1 467.522 1.809 50 0 JDAAMO COc1cc(=O)n2c(c1C(=O)NCc1ccco1)CC[N@H+](Cc1cccc(OCCO)c1)CC2 ZINC000019742025 556364599 /nfs/dbraw/zinc/36/45/99/556364599.db2.gz XWNYQJDGOPOSNP-UHFFFAOYSA-N 1 1 467.522 1.809 50 0 JDAAMO COCCN1C(=O)C[C@@](CC(=O)N2CC[NH+](CCOC)CC2)(c2ccccc2Cl)C1=O ZINC000019742998 556365079 /nfs/dbraw/zinc/36/50/79/556365079.db2.gz XDHUIYHANHIBAH-QFIPXVFZSA-N 1 1 451.951 1.164 50 0 JDAAMO COC(=O)c1ccc(C[N@H+]2CCc3c(C(=O)N4CCC[C@@H](O)C4)c(OC)cc(=O)n3CC2)cc1 ZINC000019742443 556365103 /nfs/dbraw/zinc/36/51/03/556365103.db2.gz VVXKTUQABNCINQ-LJQANCHMSA-N 1 1 469.538 1.299 50 0 JDAAMO COC(=O)c1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC[C@@H](O)C4)c(OC)cc(=O)n3CC2)cc1 ZINC000019742443 556365108 /nfs/dbraw/zinc/36/51/08/556365108.db2.gz VVXKTUQABNCINQ-LJQANCHMSA-N 1 1 469.538 1.299 50 0 JDAAMO O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000031807749 556405339 /nfs/dbraw/zinc/40/53/39/556405339.db2.gz DRDYKJMKGAKKPN-IBGZPJMESA-N 1 1 465.510 1.212 50 0 JDAAMO COCCN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc(C)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032754409 556486404 /nfs/dbraw/zinc/48/64/04/556486404.db2.gz NQAOGSXCMJRGCY-LJQANCHMSA-N 1 1 457.575 1.900 50 0 JDAAMO COCCN(C(=O)C[N@H+]1CCC[C@H]1c1ccc(C)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032754410 556486899 /nfs/dbraw/zinc/48/68/99/556486899.db2.gz NQAOGSXCMJRGCY-IBGZPJMESA-N 1 1 457.575 1.900 50 0 JDAAMO C[C@H](OC(=O)c1ccccc1CN1C(=O)CNC1=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000032893212 556524484 /nfs/dbraw/zinc/52/44/84/556524484.db2.gz FLIKXWBCPOODJP-SFHVURJKSA-N 1 1 464.522 1.628 50 0 JDAAMO CN1CC[NH+](Cc2ccc(CNC(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)cc2)CC1 ZINC000032933056 556548165 /nfs/dbraw/zinc/54/81/65/556548165.db2.gz PSRCAWWKXXVIHG-JOCHJYFZSA-N 1 1 452.534 1.310 50 0 JDAAMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)[C@@H](C)O4)CC2)CC1 ZINC000032959019 556575032 /nfs/dbraw/zinc/57/50/32/556575032.db2.gz UQXFWYQDIRWYPC-MRXNPFEDSA-N 1 1 464.588 1.279 50 0 JDAAMO CC[C@]12C=CC[N@H+]3CC[C@@]4(c5ccc(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000053201238 563205206 /nfs/dbraw/zinc/20/52/06/563205206.db2.gz CXBGOBGJHGGWIE-ACSXSLCXSA-N 1 1 456.539 1.641 50 0 biogenic,in-vitro JDAAMO CC1=[NH+]N(CCN2CCN(c3ccc(F)cc3)CC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C ZINC000056979798 569593741 /nfs/dbraw/zinc/59/37/41/569593741.db2.gz QDBAJWSIYYDIFA-INIZCTEOSA-N 1 1 468.537 1.152 50 0 JDAAMO CC1=NN(CC[NH+]2CCN(c3ccc(F)cc3)CC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C ZINC000056979798 569593743 /nfs/dbraw/zinc/59/37/43/569593743.db2.gz QDBAJWSIYYDIFA-INIZCTEOSA-N 1 1 468.537 1.152 50 0 JDAAMO O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000057358699 569599236 /nfs/dbraw/zinc/59/92/36/569599236.db2.gz XNWVCXWJHJCNPA-QGZVFWFLSA-N 1 1 464.613 1.971 50 0 JDAAMO COC(=O)C1=C(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000057414210 569599765 /nfs/dbraw/zinc/59/97/65/569599765.db2.gz GUBCYJNXOWXZPB-FQEVSTJZSA-N 1 1 455.559 1.273 50 0 JDAAMO CCN1CC[NH+](CCCNC(=O)COCc2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 ZINC000032987622 569609514 /nfs/dbraw/zinc/60/95/14/569609514.db2.gz ZUHJQVDKCGNEKK-UHFFFAOYSA-N 1 1 464.567 1.590 50 0 JDAAMO CC1=[NH+]N(CCN2CCN(c3cccc(Cl)c3)CC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C ZINC000061971805 569609574 /nfs/dbraw/zinc/60/95/74/569609574.db2.gz TWCZOSKTKZWMCQ-MRXNPFEDSA-N 1 1 484.992 1.666 50 0 JDAAMO CC1=NN(CC[NH+]2CCN(c3cccc(Cl)c3)CC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C ZINC000061971805 569609576 /nfs/dbraw/zinc/60/95/76/569609576.db2.gz TWCZOSKTKZWMCQ-MRXNPFEDSA-N 1 1 484.992 1.666 50 0 JDAAMO COc1ccc(NC(=O)c2nnc(COCC(=O)NCCC[NH+]3CCN(C)CC3)s2)cc1 ZINC000032987402 569609548 /nfs/dbraw/zinc/60/95/48/569609548.db2.gz DMQQWBRQBFHVRC-UHFFFAOYSA-N 1 1 462.576 1.069 50 0 JDAAMO O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000062269789 569610454 /nfs/dbraw/zinc/61/04/54/569610454.db2.gz MPXCTZFLXXGJDA-SFHVURJKSA-N 1 1 481.596 1.596 50 0 JDAAMO Cc1nc(CN2C(=O)COc3ccc(S(=O)(=O)N4CC[NH+](C5CCCCC5)CC4)cc32)no1 ZINC000064450583 569617199 /nfs/dbraw/zinc/61/71/99/569617199.db2.gz DNNDULWJYMQTRT-UHFFFAOYSA-N 1 1 475.571 1.943 50 0 JDAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CCC(=O)N1CCc2c(c(C(=O)N3CCCC3)nn2C)C1 ZINC000064565471 569618947 /nfs/dbraw/zinc/61/89/47/569618947.db2.gz TWOMIUHAMYKJML-SFHVURJKSA-N 1 1 458.607 1.312 50 0 JDAAMO Cc1onc2c1c(C)nn(CC(=O)NCC[NH+]1CCN(c3cccc(C(F)(F)F)c3)CC1)c2=O ZINC000064842337 569637528 /nfs/dbraw/zinc/63/75/28/569637528.db2.gz NBADYRFZNSSMRQ-UHFFFAOYSA-N 1 1 478.475 1.959 50 0 JDAAMO CC[NH+]1CCN(C(=O)[C@@H](NC(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)C(C)C)CC1 ZINC000034676312 569641479 /nfs/dbraw/zinc/64/14/79/569641479.db2.gz IJXFBOFASMUQLX-QHCPKHFHSA-N 1 1 480.613 1.848 50 0 JDAAMO O=C(Nc1ccc2c(c1)CCC2)c1coc(CN2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)n1 ZINC000034677249 569641716 /nfs/dbraw/zinc/64/17/16/569641716.db2.gz DSKFPTKYHJLKQR-JOCHJYFZSA-N 1 1 469.586 1.226 50 0 JDAAMO C[NH+]1CCN(c2nc(N3CCCCC3)nc3c2CN(S(=O)(=O)c2ccccc2)CC3)CC1 ZINC000034676862 569641748 /nfs/dbraw/zinc/64/17/48/569641748.db2.gz ZNNWCVKVAKQYIO-UHFFFAOYSA-N 1 1 456.616 1.966 50 0 JDAAMO Cc1ccc(NC(=O)c2coc(CN3CC[NH+](C[C@H](O)CN4CCOCC4)CC3)n2)cc1C ZINC000034677310 569641754 /nfs/dbraw/zinc/64/17/54/569641754.db2.gz FTPFAGHJLSSWPP-NRFANRHFSA-N 1 1 457.575 1.354 50 0 JDAAMO C[NH+]1CCN(c2nc(N3CCOCC3)nc3c2CN(C(=O)c2ccccc2Cl)CC3)CC1 ZINC000034676971 569641817 /nfs/dbraw/zinc/64/18/17/569641817.db2.gz IPBOOWQWNHKJRC-UHFFFAOYSA-N 1 1 456.978 1.917 50 0 JDAAMO Cc1ccc(F)c(NC(=O)c2coc(CN3CC[NH+](C[C@@H](O)CN4CCOCC4)CC3)n2)c1 ZINC000034677345 569641863 /nfs/dbraw/zinc/64/18/63/569641863.db2.gz AXBUTFKEYUJYHV-GOSISDBHSA-N 1 1 461.538 1.185 50 0 JDAAMO O=C(Nc1ccc(Cl)cc1)c1coc(CN2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)n1 ZINC000034677542 569641888 /nfs/dbraw/zinc/64/18/88/569641888.db2.gz AFEVNEACXQOOJO-IBGZPJMESA-N 1 1 463.966 1.391 50 0 JDAAMO O=C(Nc1ccc(Cl)cc1)c1coc(CN2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)n1 ZINC000034677543 569641942 /nfs/dbraw/zinc/64/19/42/569641942.db2.gz AFEVNEACXQOOJO-LJQANCHMSA-N 1 1 463.966 1.391 50 0 JDAAMO Cc1ccc(NC(=O)c2coc(CN3CC[NH+](C[C@@H](O)CN4CCOCC4)CC3)n2)cc1C ZINC000034677311 569641959 /nfs/dbraw/zinc/64/19/59/569641959.db2.gz FTPFAGHJLSSWPP-OAQYLSRUSA-N 1 1 457.575 1.354 50 0 JDAAMO O=C(c1ccccc1)N(CCN1CCOCC1)C[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)CCO1 ZINC000034691628 569646051 /nfs/dbraw/zinc/64/60/51/569646051.db2.gz MPGCBOVYJCOEFL-FTJBHMTQSA-N 1 1 467.610 1.765 50 0 JDAAMO O=C(c1ccccc1)N(CCN1CCOCC1)C[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)CCO1 ZINC000034691628 569646053 /nfs/dbraw/zinc/64/60/53/569646053.db2.gz MPGCBOVYJCOEFL-FTJBHMTQSA-N 1 1 467.610 1.765 50 0 JDAAMO CC(C)n1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CC[NH+](C)CC4)CC3)cc2sc1=O ZINC000065022239 569648787 /nfs/dbraw/zinc/64/87/87/569648787.db2.gz XKLJHHKMTDVROO-UHFFFAOYSA-N 1 1 466.629 1.819 50 0 JDAAMO COCCCNC(=O)c1cc(NS(=O)(=O)c2cccc(OC)c2)cnc1N1CC[NH2+]CC1 ZINC000065025324 569650764 /nfs/dbraw/zinc/65/07/64/569650764.db2.gz FJBPPRJHDHYPCT-UHFFFAOYSA-N 1 1 463.560 1.067 50 0 JDAAMO CCN1CC[NH+](CCCNC(=O)CC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1 ZINC000065061354 569655304 /nfs/dbraw/zinc/65/53/04/569655304.db2.gz UMEIBOKQKKUXDE-UHFFFAOYSA-N 1 1 455.625 1.226 50 0 JDAAMO COc1ccc(CC(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(N4CCCC4)c3C2)cc1 ZINC000034756484 569656385 /nfs/dbraw/zinc/65/63/85/569656385.db2.gz LNLLZMHGQBDBHK-UHFFFAOYSA-N 1 1 450.587 1.965 50 0 JDAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1nc(Cn2c(=O)oc3ccccc32)no1 ZINC000065111667 569664731 /nfs/dbraw/zinc/66/47/31/569664731.db2.gz LUXWPXQCFLOJKX-UHFFFAOYSA-N 1 1 476.537 1.964 50 0 JDAAMO CCOC(=O)C1=C(NC(=O)CSc2nnnn2-c2ccccc2)S[C@@H]2C[N@@H+](C)CC[C@@H]12 ZINC000034871080 569668462 /nfs/dbraw/zinc/66/84/62/569668462.db2.gz YLHRPANQHFAHMR-HUUCEWRRSA-N 1 1 460.585 1.712 50 0 JDAAMO CC[NH+]1CCN(C(=O)CN2c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3C(C)(C)C2=O)CC1 ZINC000065314815 569672560 /nfs/dbraw/zinc/67/25/60/569672560.db2.gz VFBPMYPKIDIQJX-GOSISDBHSA-N 1 1 476.643 1.896 50 0 JDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4cc(OC)c(OC)c(OC)c4)c(=O)c3s2)CC1 ZINC000067225966 569680960 /nfs/dbraw/zinc/68/09/60/569680960.db2.gz HCRMYPPVBNKDGS-UHFFFAOYSA-N 1 1 488.570 1.659 50 0 JDAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000035363853 569682621 /nfs/dbraw/zinc/68/26/21/569682621.db2.gz XCDFFUTZDOEVTN-VROSSTTESA-N 1 1 490.516 1.281 50 0 biogenic JDAAMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000035374723 569684348 /nfs/dbraw/zinc/68/43/48/569684348.db2.gz NIYWENHKSUWDEC-ZCEGFOITSA-N 1 1 469.925 1.958 50 0 JDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)N[C@@H](C)c4cccc(OC)c4)c(=O)c3s2)CC1 ZINC000067319328 569687097 /nfs/dbraw/zinc/68/70/97/569687097.db2.gz KOCIWUYZOIDKIV-HNNXBMFYSA-N 1 1 456.572 1.881 50 0 JDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)N[C@H](C)c4cccc(OC)c4)c(=O)c3s2)CC1 ZINC000067319331 569687227 /nfs/dbraw/zinc/68/72/27/569687227.db2.gz KOCIWUYZOIDKIV-OAHLLOKOSA-N 1 1 456.572 1.881 50 0 JDAAMO CC[C@@H]1Oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)N4CC[NH+](C)CC4)C3)c(C)cc2NC1=O ZINC000035396634 569687345 /nfs/dbraw/zinc/68/73/45/569687345.db2.gz HNCWXEDMGLDJNI-WMZOPIPTSA-N 1 1 464.588 1.279 50 0 JDAAMO CCOC(=O)C1C(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000067689556 569689612 /nfs/dbraw/zinc/68/96/12/569689612.db2.gz VZFUZRDLOKKJHC-OAQYLSRUSA-N 1 1 487.576 1.803 50 0 JDAAMO COC(=O)C1=C(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000067689595 569689736 /nfs/dbraw/zinc/68/97/36/569689736.db2.gz CRBANESFXHCERD-NRFANRHFSA-N 1 1 485.585 1.282 50 0 JDAAMO COC(=O)C1=C(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000067689618 569689768 /nfs/dbraw/zinc/68/97/68/569689768.db2.gz UIUJHVWCELOWAK-OAQYLSRUSA-N 1 1 485.585 1.282 50 0 JDAAMO COC(=O)C1C(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)=NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000067689641 569689921 /nfs/dbraw/zinc/68/99/21/569689921.db2.gz ATZHPBLEAMZSOE-FQEVSTJZSA-N 1 1 490.004 1.927 50 0 JDAAMO CC[N@@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1cc(Cl)ccc1OC ZINC000035401412 569690825 /nfs/dbraw/zinc/69/08/25/569690825.db2.gz LEKSUGBLAZQURP-GOSISDBHSA-N 1 1 473.039 1.646 50 0 JDAAMO CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1cc(Cl)ccc1OC ZINC000035401412 569690826 /nfs/dbraw/zinc/69/08/26/569690826.db2.gz LEKSUGBLAZQURP-GOSISDBHSA-N 1 1 473.039 1.646 50 0 JDAAMO C[C@@H]1CCC[C@@H](C)[NH+]1CCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1cccc(F)c1 ZINC000035401612 569691036 /nfs/dbraw/zinc/69/10/36/569691036.db2.gz ZCLBSVHXKLJMNR-RTBURBONSA-N 1 1 454.612 1.901 50 0 JDAAMO CCCn1c(=O)cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c2c(=O)n(CCC)c(=O)n(C)c21 ZINC000035422400 569692750 /nfs/dbraw/zinc/69/27/50/569692750.db2.gz LYNKWWXLXZDSNV-UHFFFAOYSA-N 1 1 479.581 1.640 50 0 JDAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CN1c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC[C@@H]2C1=O ZINC000035445405 569695559 /nfs/dbraw/zinc/69/55/59/569695559.db2.gz DNFAQZUBVHIACU-WIYYLYMNSA-N 1 1 491.658 1.633 50 0 JDAAMO COc1cc(-c2cc3n(n2)c(=O)c(CCC(=O)N2CC[NH+](C)CC2)c(C)n3C)cc(OC)c1OC ZINC000035448932 569696517 /nfs/dbraw/zinc/69/65/17/569696517.db2.gz DCJQIUNNYVLJPG-UHFFFAOYSA-N 1 1 483.569 1.741 50 0 JDAAMO CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC[C@H](C(=O)NCCC[NH+]3CCN(C)CC3)C2)c1C ZINC000035510226 569698138 /nfs/dbraw/zinc/69/81/38/569698138.db2.gz FEBHNQYCWUQZFK-NRFANRHFSA-N 1 1 489.661 1.733 50 0 JDAAMO COCCn1cnc2c1c(=O)n(CC(=O)OCC[C@H]1CCCC[N@H+]1C)c(=O)n2Cc1ccccc1 ZINC000083877971 569708689 /nfs/dbraw/zinc/70/86/89/569708689.db2.gz WOHHFWGUDCTLSP-HXUWFJFHSA-N 1 1 483.569 1.472 50 0 JDAAMO O=C(c1nnc(-c2cc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)c[nH]2)o1)N1CCCC1 ZINC000085808711 569715502 /nfs/dbraw/zinc/71/55/02/569715502.db2.gz FAJBAHASXKXOAD-UHFFFAOYSA-N 1 1 462.576 1.940 50 0 JDAAMO O=C(C[N@H+]1CCN2c3ccc(C(F)(F)F)cc3C[C@H](C(=O)NC3CC3)[C@H]2C1)N1CCOCC1 ZINC000035871522 569718840 /nfs/dbraw/zinc/71/88/40/569718840.db2.gz ORFUTUHFGMNHSP-AZUAARDMSA-N 1 1 466.504 1.506 50 0 JDAAMO O=C(C[N@@H+]1CCN2c3ccc(C(F)(F)F)cc3C[C@H](C(=O)NC3CC3)[C@H]2C1)N1CCOCC1 ZINC000035871522 569718842 /nfs/dbraw/zinc/71/88/42/569718842.db2.gz ORFUTUHFGMNHSP-AZUAARDMSA-N 1 1 466.504 1.506 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@H](C(=O)NCCc1ccccc1)C2 ZINC000035871786 569719087 /nfs/dbraw/zinc/71/90/87/569719087.db2.gz KZDSZYIATZFPJN-AOYPEHQESA-N 1 1 492.620 1.576 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@H](C(=O)NCCc1ccccc1)C2 ZINC000035871786 569719088 /nfs/dbraw/zinc/71/90/88/569719088.db2.gz KZDSZYIATZFPJN-AOYPEHQESA-N 1 1 492.620 1.576 50 0 JDAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000095480287 569724656 /nfs/dbraw/zinc/72/46/56/569724656.db2.gz VQUJTAHAERHPRM-ZDUSSCGKSA-N 1 1 450.337 1.517 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@H](C(=O)Nc1ccc(F)cc1)C2 ZINC000035911171 569726415 /nfs/dbraw/zinc/72/64/15/569726415.db2.gz KAORKOQGGDJJJJ-ISKFKSNPSA-N 1 1 482.556 1.995 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@H](C(=O)Nc1ccc(F)cc1)C2 ZINC000035911171 569726416 /nfs/dbraw/zinc/72/64/16/569726416.db2.gz KAORKOQGGDJJJJ-ISKFKSNPSA-N 1 1 482.556 1.995 50 0 JDAAMO COc1cccc(CC(=O)N2CCc3nc(N4CCOCC4)nc(N4CC[NH+](C)CC4)c3C2)c1 ZINC000095551112 569727561 /nfs/dbraw/zinc/72/75/61/569727561.db2.gz KBSOJEISLALRCP-UHFFFAOYSA-N 1 1 466.586 1.201 50 0 JDAAMO C[NH+]1CCN(c2nc(N3CCOCC3)nc3c2CN(C(=O)COc2ccccc2)CC3)CC1 ZINC000095551113 569727622 /nfs/dbraw/zinc/72/76/22/569727622.db2.gz VCFPQXSGKZDIPN-UHFFFAOYSA-N 1 1 452.559 1.029 50 0 JDAAMO C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CN2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1=O ZINC000095958418 569731812 /nfs/dbraw/zinc/73/18/12/569731812.db2.gz YBIXQOILHAKOIT-VWLOTQADSA-N 1 1 464.522 1.893 50 0 JDAAMO CC[NH+]1CCN(C(=O)Cn2c3cc(Cl)ccc3c(=O)n(-c3cccc(OC)c3)c2=O)CC1 ZINC000037399437 569787679 /nfs/dbraw/zinc/78/76/79/569787679.db2.gz AVWPYMOVMOJBMZ-UHFFFAOYSA-N 1 1 456.930 1.979 50 0 JDAAMO C[C@@H](C(=O)N1CC[NH+](C)CC1)N1C(=O)COc2ccc(C(=O)COc3cccc(F)c3)cc21 ZINC000037512309 569792089 /nfs/dbraw/zinc/79/20/89/569792089.db2.gz QEDZFABHGQRVND-INIZCTEOSA-N 1 1 455.486 1.975 50 0 JDAAMO C[C@H](OC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000040049371 569814872 /nfs/dbraw/zinc/81/48/72/569814872.db2.gz MPVSJCCUTRBBJR-SFHVURJKSA-N 1 1 464.522 1.628 50 0 JDAAMO C[NH+]1CCN(c2nc3c(cnn3-c3ccc(Cl)cc3)c(N3CCC(C(N)=O)CC3)n2)CC1 ZINC000040268739 569823395 /nfs/dbraw/zinc/82/33/95/569823395.db2.gz MNWVFLWSXUVDPN-UHFFFAOYSA-N 1 1 454.966 1.922 50 0 JDAAMO C[C@H](O)[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000105352781 569852880 /nfs/dbraw/zinc/85/28/80/569852880.db2.gz KMYUCEWSWQJKDB-WKEQEPPJSA-N 1 1 484.350 1.793 50 0 JDAAMO Cc1cc2c(c(C)c1)NC(=O)[C@@]21[NH2+][C@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000105381615 569853028 /nfs/dbraw/zinc/85/30/28/569853028.db2.gz ZOBOOOFWKKFYKT-PMZGDVKGSA-N 1 1 463.490 1.334 50 0 biogenic JDAAMO Cc1cc(C)c(S(=O)(=O)N(CCN2CCCC[C@H]2C)CC(=O)N2CC[NH2+]CC2)cc1C ZINC000105856430 569853554 /nfs/dbraw/zinc/85/35/54/569853554.db2.gz ZVDUGWYNXKILAP-OAQYLSRUSA-N 1 1 450.649 1.909 50 0 JDAAMO CC[C@]12C=CC[N@H+]3CC[C@]4(c5ccc(OC)cc5N(C)[C@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000167262371 569868136 /nfs/dbraw/zinc/86/81/36/569868136.db2.gz CXBGOBGJHGGWIE-MRKDMUIPSA-N 1 1 456.539 1.641 50 0 biogenic JDAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@@H](C(=O)NCCc1ccccc1)C2 ZINC000169677450 569868592 /nfs/dbraw/zinc/86/85/92/569868592.db2.gz KZDSZYIATZFPJN-AZGAKELHSA-N 1 1 492.620 1.576 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@@H](C(=O)NCCc1ccccc1)C2 ZINC000169677450 569868593 /nfs/dbraw/zinc/86/85/93/569868593.db2.gz KZDSZYIATZFPJN-AZGAKELHSA-N 1 1 492.620 1.576 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@@H](C(=O)NCc1ccc(F)cc1)C2 ZINC000169677461 569868731 /nfs/dbraw/zinc/86/87/31/569868731.db2.gz QHZFLWWMRMVZTK-UKILVPOCSA-N 1 1 496.583 1.672 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@@H](C(=O)NCc1ccc(F)cc1)C2 ZINC000169677461 569868732 /nfs/dbraw/zinc/86/87/32/569868732.db2.gz QHZFLWWMRMVZTK-UKILVPOCSA-N 1 1 496.583 1.672 50 0 JDAAMO COCCCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CC(=O)N3CCOCC3)C[C@@H]12 ZINC000169678696 569869206 /nfs/dbraw/zinc/86/92/06/569869206.db2.gz WAJDRGFTXUNDBM-CTNGQTDRSA-N 1 1 498.546 1.380 50 0 JDAAMO COCCCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CC(=O)N3CCOCC3)C[C@@H]12 ZINC000169678696 569869207 /nfs/dbraw/zinc/86/92/07/569869207.db2.gz WAJDRGFTXUNDBM-CTNGQTDRSA-N 1 1 498.546 1.380 50 0 JDAAMO CC[C@H]1Oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CC[NH+](C)CC4)C3)c(C)cc2NC1=O ZINC000169683938 569871203 /nfs/dbraw/zinc/87/12/03/569871203.db2.gz HNCWXEDMGLDJNI-SJLPKXTDSA-N 1 1 464.588 1.279 50 0 JDAAMO CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(=O)c2ccc(Br)cc2)CC1 ZINC000170624504 569873316 /nfs/dbraw/zinc/87/33/16/569873316.db2.gz VBQVZVWZYFCRTE-UHFFFAOYSA-N 1 1 475.347 1.211 50 0 JDAAMO CC(=O)N1CCC(Nc2cc(C(=O)NC[C@@H](O)C[N@H+]3CCc4ccccc4C3)ncn2)CC1 ZINC000220119715 569883565 /nfs/dbraw/zinc/88/35/65/569883565.db2.gz JLCCNYVTIWRPIZ-OAQYLSRUSA-N 1 1 452.559 1.048 50 0 JDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)[NH2+][C@@]32C(=O)Nc3ccc(Cl)cc32)cc1OC ZINC000229892054 570041830 /nfs/dbraw/zinc/04/18/30/570041830.db2.gz XHTCCVSZASATDB-RMLZHUDVSA-N 1 1 499.951 1.701 50 0 JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)[NH2+][C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000230016107 570043623 /nfs/dbraw/zinc/04/36/23/570043623.db2.gz WDHLJWGPWDLVFW-AVGVDARLSA-N 1 1 455.898 1.650 50 0 biogenic JDAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3cc4c(s3)n(C)c(=O)n(C)c4=O)C[C@H]2C)c1 ZINC000230073898 570044443 /nfs/dbraw/zinc/04/44/43/570044443.db2.gz KXQAENFQXIEKMX-QGZVFWFLSA-N 1 1 469.611 1.938 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]1[C@@H](C(=O)NCc1ccccc1)C2 ZINC000230129056 570045518 /nfs/dbraw/zinc/04/55/18/570045518.db2.gz VDSCJVSHDLZWIS-ZCYQVOJMSA-N 1 1 478.593 1.533 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@H]1[C@@H](C(=O)NCc1ccccc1)C2 ZINC000230129056 570045520 /nfs/dbraw/zinc/04/55/20/570045520.db2.gz VDSCJVSHDLZWIS-ZCYQVOJMSA-N 1 1 478.593 1.533 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]1[C@H](C(=O)Nc1ccc(F)cc1)C2 ZINC000230138184 570045838 /nfs/dbraw/zinc/04/58/38/570045838.db2.gz KAORKOQGGDJJJJ-VWNXMTODSA-N 1 1 482.556 1.995 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@H]1[C@H](C(=O)Nc1ccc(F)cc1)C2 ZINC000230138184 570045840 /nfs/dbraw/zinc/04/58/40/570045840.db2.gz KAORKOQGGDJJJJ-VWNXMTODSA-N 1 1 482.556 1.995 50 0 JDAAMO Cc1cnc(C)c(-c2cc(F)cc3c2O[C@@H](CNC(=O)CC[N@@H+](C)[C@H]2CCS(=O)(=O)C2)C3)n1 ZINC000244748563 570054184 /nfs/dbraw/zinc/05/41/84/570054184.db2.gz OJRISDRGVPLZLI-RBUKOAKNSA-N 1 1 476.574 1.828 50 0 JDAAMO Cc1cnc(C)c(-c2cc(F)cc3c2O[C@@H](CNC(=O)CC[N@H+](C)[C@H]2CCS(=O)(=O)C2)C3)n1 ZINC000244748563 570054185 /nfs/dbraw/zinc/05/41/85/570054185.db2.gz OJRISDRGVPLZLI-RBUKOAKNSA-N 1 1 476.574 1.828 50 0 JDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C)O3)C1 ZINC000245241254 570058446 /nfs/dbraw/zinc/05/84/46/570058446.db2.gz ZOIXDOYITCFWMV-FGTMMUONSA-N 1 1 478.615 1.716 50 0 JDAAMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](CC(N)=O)[NH2+][C@]3(c4ccccc4NC3=O)[C@H]2C1=O ZINC000245247167 570059244 /nfs/dbraw/zinc/05/92/44/570059244.db2.gz QUYBGSKJGHEJLJ-YQXROLDKSA-N 1 1 454.870 1.149 50 0 JDAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000245258097 570060808 /nfs/dbraw/zinc/06/08/08/570060808.db2.gz JGNZBIWMRXLHDE-HBMCJLEFSA-N 1 1 486.679 1.551 50 0 JDAAMO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccccc1)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000247814879 570069727 /nfs/dbraw/zinc/06/97/27/570069727.db2.gz FRZXJZPCLKMHAP-FIXDAVPBSA-N 1 1 467.909 1.934 50 0 JDAAMO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](O)c1ccc(Cl)cc1)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000247886380 570070541 /nfs/dbraw/zinc/07/05/41/570070541.db2.gz RWDBWHJLHHTLTG-IYXACIGFSA-N 1 1 469.925 1.831 50 0 JDAAMO CCN(CC)C(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000247939436 570071359 /nfs/dbraw/zinc/07/13/59/570071359.db2.gz FYPKLJZUFDBZSY-SCPSAXBQSA-N 1 1 474.561 1.890 50 0 JDAAMO CCOC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccccc1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 ZINC000248121647 570074737 /nfs/dbraw/zinc/07/47/37/570074737.db2.gz SELFMECKQZVAPJ-SRCYTUNASA-N 1 1 461.518 1.979 50 0 JDAAMO C[C@H](O)[C@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000252693564 570094581 /nfs/dbraw/zinc/09/45/81/570094581.db2.gz DZSFDEYHFSBIKV-IWTIGPNVSA-N 1 1 469.881 1.370 50 0 biogenic JDAAMO C[N@H+](CCC(=O)N1CC(=O)N(Cc2ccccc2)C[C@H](OCC2CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000299758189 570174307 /nfs/dbraw/zinc/17/43/07/570174307.db2.gz OVSZECCOBHWCHG-VXKWHMMOSA-N 1 1 477.627 1.162 50 0 JDAAMO C[N@@H+](CCC(=O)N1CC(=O)N(Cc2ccccc2)C[C@H](OCC2CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000299758189 570174309 /nfs/dbraw/zinc/17/43/09/570174309.db2.gz 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COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)N(Cc3ccoc3)C2)nn1 ZINC000011909912 555857009 /nfs/dbraw/zinc/85/70/09/555857009.db2.gz JSQPZHCFCQUHRQ-MPJJRAAHSA-N 1 1 470.574 1.854 50 0 JDAAMO Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000011997749 555879721 /nfs/dbraw/zinc/87/97/21/555879721.db2.gz XEBAOGBHMWATHR-SFHVURJKSA-N 1 1 451.570 1.643 50 0 JDAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1)c1ccccc1 ZINC000011997964 555880381 /nfs/dbraw/zinc/88/03/81/555880381.db2.gz XCJCRNZBFJCFHH-LJQANCHMSA-N 1 1 465.597 1.970 50 0 JDAAMO CCOc1ccc([C@@H](CNS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)[NH+](C)C)cc1 ZINC000011998503 555881087 /nfs/dbraw/zinc/88/10/87/555881087.db2.gz UGPXWKXKZZITHF-HXUWFJFHSA-N 1 1 481.596 1.733 50 0 JDAAMO CCOc1ccc([C@H](CNS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)[NH+](C)C)cc1 ZINC000011998506 555881104 /nfs/dbraw/zinc/88/11/04/555881104.db2.gz UGPXWKXKZZITHF-FQEVSTJZSA-N 1 1 481.596 1.733 50 0 JDAAMO Cn1nc(C(=O)N2CCC(CCC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)ccc1=O ZINC000012076732 555902449 /nfs/dbraw/zinc/90/24/49/555902449.db2.gz CCTJGCBVPFEHFY-NRFANRHFSA-N 1 1 451.571 1.803 50 0 JDAAMO Cn1nc(C(=O)N2CCC(CCC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)ccc1=O ZINC000012076729 555902523 /nfs/dbraw/zinc/90/25/23/555902523.db2.gz CCTJGCBVPFEHFY-OAQYLSRUSA-N 1 1 451.571 1.803 50 0 JDAAMO COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccccc1C(=O)N1CC[NH+](C)CC1)N(C)CC3)OCO2 ZINC000015414930 555906461 /nfs/dbraw/zinc/90/64/61/555906461.db2.gz KJCFSLVPOBZZQK-NRFANRHFSA-N 1 1 491.552 1.365 50 0 biogenic JDAAMO CN1C(C(=O)N2CC[NH+](Cc3ccccc3)CC2)=CC(c2ccc3c(c2)OCO3)=NS1(=O)=O ZINC000015673545 555932915 /nfs/dbraw/zinc/93/29/15/555932915.db2.gz MIMFWQMEVRRWDD-UHFFFAOYSA-N 1 1 468.535 1.623 50 0 JDAAMO O=S(=O)(c1cccc(CN2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c1)N1CCOCC1 ZINC000022913908 555969011 /nfs/dbraw/zinc/96/90/11/555969011.db2.gz UUOWUHXMYLFJMJ-UHFFFAOYSA-N 1 1 457.596 1.960 50 0 JDAAMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000022917760 555971598 /nfs/dbraw/zinc/97/15/98/555971598.db2.gz JSERNRNXUSLJAZ-UHFFFAOYSA-N 1 1 456.612 1.646 50 0 JDAAMO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022926598 555977785 /nfs/dbraw/zinc/97/77/85/555977785.db2.gz YVVAPVSUWHHCGC-UHFFFAOYSA-N 1 1 472.611 1.772 50 0 JDAAMO COc1ccc(OCC[NH+]2CCN(CC(=O)Nc3sc4c(c3C(N)=O)CCC4)CC2)cc1 ZINC000022928991 555980944 /nfs/dbraw/zinc/98/09/44/555980944.db2.gz CGUJDHQMLNRPCO-UHFFFAOYSA-N 1 1 458.584 1.979 50 0 JDAAMO Cc1c(-c2ccccc2)sc(NC(=O)CN2CC[NH+](CCO)CC2)c1C(=O)N1CCOCC1 ZINC000022932721 555985674 /nfs/dbraw/zinc/98/56/74/555985674.db2.gz VJWPVUHGFQDLMM-UHFFFAOYSA-N 1 1 472.611 1.744 50 0 JDAAMO CN1CC[NH+](CCCNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCCCC4)ccc32)CC1 ZINC000022937030 555989773 /nfs/dbraw/zinc/98/97/73/555989773.db2.gz JHOUGIVBVFLFAF-UHFFFAOYSA-N 1 1 475.659 1.960 50 0 JDAAMO CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@@H]1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000015775883 555994878 /nfs/dbraw/zinc/99/48/78/555994878.db2.gz WMYIUGPBTVQVTP-HSZRJFAPSA-N 1 1 492.642 1.366 50 0 JDAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)C1 ZINC000023103961 556008453 /nfs/dbraw/zinc/00/84/53/556008453.db2.gz HUUHZWDOEXUSAQ-GOSISDBHSA-N 1 1 487.582 1.744 50 0 JDAAMO C[C@@H](NC(=O)C(=O)NCCN1CCOCC1)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023181176 556027537 /nfs/dbraw/zinc/02/75/37/556027537.db2.gz IXSCCTHVLGDIGQ-QPPBQGQZSA-N 1 1 499.681 1.560 50 0 JDAAMO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000012550299 556030954 /nfs/dbraw/zinc/03/09/54/556030954.db2.gz VFZFGGNEHORHIY-NRFANRHFSA-N 1 1 476.599 1.933 50 0 JDAAMO COc1ccccc1CN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000015868804 556046657 /nfs/dbraw/zinc/04/66/57/556046657.db2.gz SOMYPAYTDIYJAO-UHFFFAOYSA-N 1 1 467.613 1.430 50 0 JDAAMO O=C(c1ccc(Br)cc1)N(CCS(=O)(=O)N1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000015868780 556046698 /nfs/dbraw/zinc/04/66/98/556046698.db2.gz WZUOMKBOPUDRKR-KRWDZBQOSA-N 1 1 460.394 1.305 50 0 JDAAMO COc1ccccc1CN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)cc1C ZINC000015868806 556046784 /nfs/dbraw/zinc/04/67/84/556046784.db2.gz JFEWMGJJTWDUEA-UHFFFAOYSA-N 1 1 481.640 1.738 50 0 JDAAMO COc1ccc(S(=O)(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C2CCCCCC2)cc1 ZINC000015868818 556046845 /nfs/dbraw/zinc/04/68/45/556046845.db2.gz YWQFSBNEDUIPQL-UHFFFAOYSA-N 1 1 459.634 1.644 50 0 JDAAMO COc1cccc(CN(CCS(=O)(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000015868915 556047170 /nfs/dbraw/zinc/04/71/70/556047170.db2.gz CIQQASIAGRUFRX-UHFFFAOYSA-N 1 1 481.640 1.738 50 0 JDAAMO O=S(=O)(CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000015868918 556047218 /nfs/dbraw/zinc/04/72/18/556047218.db2.gz WRMOMQRXFZPIDJ-UHFFFAOYSA-N 1 1 459.540 1.391 50 0 JDAAMO CC[N@H+]1CCC[C@@H]1CN(CCS(=O)(=O)N1CCNCC1)S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000015868944 556047511 /nfs/dbraw/zinc/04/75/11/556047511.db2.gz LJOFQSPIALGGIM-JOCHJYFZSA-N 1 1 498.715 1.275 50 0 JDAAMO O=S(=O)(CCN(CCCc1ccccc1)S(=O)(=O)c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000015868974 556047586 /nfs/dbraw/zinc/04/75/86/556047586.db2.gz DVUCEBKZGJZBBK-UHFFFAOYSA-N 1 1 469.604 1.684 50 0 JDAAMO COc1ccc(S(=O)(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C[C@H](C)c2ccccc2)cc1 ZINC000015868929 556047638 /nfs/dbraw/zinc/04/76/38/556047638.db2.gz HOTNPRAFWIMPKW-IBGZPJMESA-N 1 1 481.640 1.725 50 0 JDAAMO COc1ccc(S(=O)(=O)N(CCCc2ccccc2)CCS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000015868975 556047691 /nfs/dbraw/zinc/04/76/91/556047691.db2.gz NDEUORQUIWNXQK-UHFFFAOYSA-N 1 1 481.640 1.554 50 0 JDAAMO O=S(=O)(CCN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000015868949 556047701 /nfs/dbraw/zinc/04/77/01/556047701.db2.gz GMIDSYJPCVQKCA-UHFFFAOYSA-N 1 1 450.026 1.898 50 0 JDAAMO COc1ccc(OC)c(S(=O)(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C2CCCCC2)c1 ZINC000015868957 556047713 /nfs/dbraw/zinc/04/77/13/556047713.db2.gz OBVSKKXBBWDGSI-UHFFFAOYSA-N 1 1 475.633 1.262 50 0 JDAAMO O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012562079 556055944 /nfs/dbraw/zinc/05/59/44/556055944.db2.gz LQKWQQKMIWNMNI-UHFFFAOYSA-N 1 1 459.568 1.431 50 0 JDAAMO C[C@@H]1Sc2ccc(S(=O)(=O)N3CCC(C(=O)N4CC[NH+](C)CC4)CC3)cc2NC1=O ZINC000015942790 556077951 /nfs/dbraw/zinc/07/79/51/556077951.db2.gz OSBUIBJQWBTYAL-AWEZNQCLSA-N 1 1 452.602 1.294 50 0 JDAAMO C[C@H]1Sc2ccc(S(=O)(=O)N3CCC(C(=O)N4CC[NH+](C)CC4)CC3)cc2NC1=O ZINC000015942792 556077988 /nfs/dbraw/zinc/07/79/88/556077988.db2.gz OSBUIBJQWBTYAL-CQSZACIVSA-N 1 1 452.602 1.294 50 0 JDAAMO CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)CO2 ZINC000015944111 556080154 /nfs/dbraw/zinc/08/01/54/556080154.db2.gz GJOPSIXMVAPZAN-KDURUIRLSA-N 1 1 494.658 1.927 50 0 JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@@]32c3cc(Cl)ccc3NC2=O)cc1 ZINC000015957551 556089063 /nfs/dbraw/zinc/08/90/63/556089063.db2.gz TULIUXKYVWOXJD-FAODYONGSA-N 1 1 468.897 1.145 50 0 biogenic JDAAMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)[NH2+][C@@]21c2cc(Cl)ccc2NC1=O ZINC000015957653 556089166 /nfs/dbraw/zinc/08/91/66/556089166.db2.gz QKFJHLVMRDNTRF-ZMHGRXQUSA-N 1 1 468.897 1.145 50 0 biogenic JDAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000015957925 556089565 /nfs/dbraw/zinc/08/95/65/556089565.db2.gz XCDFFUTZDOEVTN-CQBMSCNUSA-N 1 1 490.516 1.281 50 0 biogenic JDAAMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@@]21c2cc(C)cc(C)c2NC1=O ZINC000015959143 556090717 /nfs/dbraw/zinc/09/07/17/556090717.db2.gz UVLDJCCGURYQSV-HOKASXAUSA-N 1 1 462.506 1.108 50 0 biogenic JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@@]32c3ccc(Cl)c(C)c3NC2=O)cc1 ZINC000015959137 556090797 /nfs/dbraw/zinc/09/07/97/556090797.db2.gz BMDTUJQSZRATGT-DOGKRZLPSA-N 1 1 482.924 1.453 50 0 biogenic JDAAMO C[C@H](O)[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000015959407 556091388 /nfs/dbraw/zinc/09/13/88/556091388.db2.gz XSTLMEBUFXOMLV-ZERPAEFPSA-N 1 1 469.881 1.370 50 0 biogenic JDAAMO Cc1c2c(ccc1Cl)[C@]1([NH2+][C@@H](CC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959818 556092040 /nfs/dbraw/zinc/09/20/40/556092040.db2.gz SUTBASSTIJUPRM-NARGUJOISA-N 1 1 466.925 1.487 50 0 biogenic JDAAMO NC(=O)C[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015959918 556092095 /nfs/dbraw/zinc/09/20/95/556092095.db2.gz ARFUMZSKJWYODQ-NZQNYPKQSA-N 1 1 452.898 1.179 50 0 biogenic JDAAMO NC(=O)C[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015959920 556092168 /nfs/dbraw/zinc/09/21/68/556092168.db2.gz ARFUMZSKJWYODQ-YQYRJILISA-N 1 1 452.898 1.179 50 0 biogenic JDAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969894 556096008 /nfs/dbraw/zinc/09/60/08/556096008.db2.gz NAMMSLZIEDUSTO-BKJGLDIHSA-N 1 1 466.925 1.487 50 0 biogenic JDAAMO NC(=O)C[C@@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@@H]21 ZINC000016009693 556108245 /nfs/dbraw/zinc/10/82/45/556108245.db2.gz CPDZJNFKRQNLFI-DYXJYMTDSA-N 1 1 473.316 1.789 50 0 JDAAMO Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000016009783 556108611 /nfs/dbraw/zinc/10/86/11/556108611.db2.gz OQIFGHCCGGCTNG-VGHKVXAASA-N 1 1 452.898 1.444 50 0 JDAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016009731 556108653 /nfs/dbraw/zinc/10/86/53/556108653.db2.gz POBTUOSSPLAQCR-XQNUDUSMSA-N 1 1 470.888 1.584 50 0 JDAAMO NC(=O)C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]21 ZINC000016010281 556109784 /nfs/dbraw/zinc/10/97/84/556109784.db2.gz KUDNVCBQYVEFHW-ACWWSVHNSA-N 1 1 458.396 1.506 50 0 JDAAMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@@]21c2ccc(Cl)c(C)c2NC1=O ZINC000016012015 556110956 /nfs/dbraw/zinc/11/09/56/556110956.db2.gz MAGHCENZLGOWSY-WDEBQMKVSA-N 1 1 482.924 1.453 50 0 JDAAMO NC(=O)C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000016013135 556111996 /nfs/dbraw/zinc/11/19/96/556111996.db2.gz VSKSPZHWNJAIFH-PBWVOLNLSA-N 1 1 456.861 1.275 50 0 JDAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016013192 556112036 /nfs/dbraw/zinc/11/20/36/556112036.db2.gz SBLZMJXTOYBWAV-SYSFZUQMSA-N 1 1 450.470 1.239 50 0 JDAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016013098 556112114 /nfs/dbraw/zinc/11/21/14/556112114.db2.gz SRVZEVYTLGSSDP-XITLKHQFSA-N 1 1 470.888 1.584 50 0 JDAAMO Cc1cccc2c1NC(=O)[C@@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016021295 556113668 /nfs/dbraw/zinc/11/36/68/556113668.db2.gz DJFORABKBRCNIF-SAQZZPNQSA-N 1 1 452.898 1.444 50 0 JDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)[NH2+][C@]32C(=O)Nc3ccccc32)cc1OC ZINC000016025236 556116127 /nfs/dbraw/zinc/11/61/27/556116127.db2.gz KLZCNRCJNIYBSI-ROZCVBBGSA-N 1 1 465.506 1.048 50 0 JDAAMO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012922625 556141341 /nfs/dbraw/zinc/14/13/41/556141341.db2.gz VJNCTBUNWMXNSI-FCHUYYIVSA-N 1 1 473.643 1.682 50 0 JDAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000025561968 556221420 /nfs/dbraw/zinc/22/14/20/556221420.db2.gz SYHDSVIAEMYLAP-UHFFFAOYSA-N 1 1 451.589 1.472 50 0 JDAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000017169500 556230739 /nfs/dbraw/zinc/23/07/39/556230739.db2.gz ASGCDKJZHZIQQM-DEOSSOPVSA-N 1 1 498.603 1.039 50 0 JDAAMO COC(=O)c1ccc([C@@H](c2c(N)n(C)c(=O)n(C)c2=O)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000025784908 556236443 /nfs/dbraw/zinc/23/64/43/556236443.db2.gz HHRINUUNAGLUJG-NRFANRHFSA-N 1 1 481.528 1.504 50 0 JDAAMO Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000026249619 556251165 /nfs/dbraw/zinc/25/11/65/556251165.db2.gz LLDGOYNHLQEVJJ-UHFFFAOYSA-N 1 1 475.615 1.332 50 0 JDAAMO CC(C)C[C@H](CNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[NH+]1CCOCC1 ZINC000026304044 556252136 /nfs/dbraw/zinc/25/21/36/556252136.db2.gz MZEAGNSHLWCMQI-HXUWFJFHSA-N 1 1 468.620 1.254 50 0 JDAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000027365248 556277201 /nfs/dbraw/zinc/27/72/01/556277201.db2.gz IHKYZFYUTZQNTO-CVEARBPZSA-N 1 1 454.556 1.885 50 0 JDAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000027365248 556277205 /nfs/dbraw/zinc/27/72/05/556277205.db2.gz IHKYZFYUTZQNTO-CVEARBPZSA-N 1 1 454.556 1.885 50 0 JDAAMO CCN(C(=O)C[N@H+](C)Cc1ccc2c(c1)OCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013117807 556329514 /nfs/dbraw/zinc/32/95/14/556329514.db2.gz BOWBHGYLZPIEAT-UHFFFAOYSA-N 1 1 465.510 1.381 50 0 JDAAMO 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CC(C)CNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]12 ZINC000035908121 569723723 /nfs/dbraw/zinc/72/37/23/569723723.db2.gz PDKQGTSHJBPYET-PZJWPPBQSA-N 1 1 482.547 1.999 50 0 JDAAMO COc1ccc(C(=O)N2[C@H](C(=O)N3CC[NH+](C)CC3)COC23CCN(C(=O)C2CC2)CC3)cc1 ZINC000036017956 569749598 /nfs/dbraw/zinc/74/95/98/569749598.db2.gz MYDQGALZVAMXPX-NRFANRHFSA-N 1 1 470.570 1.039 50 0 JDAAMO CCNC(=O)N(CC[NH+](C)C)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CCOC ZINC000036031512 569752024 /nfs/dbraw/zinc/75/20/24/569752024.db2.gz AIQJEMOXHKOMKX-UHFFFAOYSA-N 1 1 451.593 1.597 50 0 JDAAMO COC(=O)c1ccc(N2C(=O)C[C@@H](N3CC[NH+](CCc4ccc(OC)cc4)CC3)C2=O)cc1 ZINC000100211136 569755535 /nfs/dbraw/zinc/75/55/35/569755535.db2.gz NWGPDALHWGJNRU-JOCHJYFZSA-N 1 1 451.523 1.974 50 0 JDAAMO COc1ccccc1C(=O)N1CC[NH+]([C@H](C(=O)N2CCN(C(C)=O)CC2)C2CCCC2)CC1 ZINC000036250393 569758306 /nfs/dbraw/zinc/75/83/06/569758306.db2.gz QTCHAKNWZAKLSX-QHCPKHFHSA-N 1 1 456.587 1.703 50 0 JDAAMO COc1nc(N2CCN(c3ccccc3F)CC2)ncc1C(=O)NCCC[NH+]1CCOCC1 ZINC000037523622 569792916 /nfs/dbraw/zinc/79/29/16/569792916.db2.gz DEDJBEHXMNVPBJ-UHFFFAOYSA-N 1 1 458.538 1.403 50 0 JDAAMO CC[N@H+]1CCCC[C@H]1C(=O)N1CC(=O)N(CC2CCOCC2)C[C@@H](OCc2cccnc2)C1 ZINC000039344650 569809416 /nfs/dbraw/zinc/80/94/16/569809416.db2.gz NHAMPNLVCMYLHW-PKTZIBPZSA-N 1 1 458.603 1.939 50 0 JDAAMO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)ccc1OC ZINC000040105400 569816129 /nfs/dbraw/zinc/81/61/29/569816129.db2.gz WIIZTOXULAHQJT-UHFFFAOYSA-N 1 1 480.631 1.352 50 0 JDAAMO CCOc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)NCCC[NH+]4CCOCC4)CC3)CC2=O)cc1 ZINC000040150320 569819631 /nfs/dbraw/zinc/81/96/31/569819631.db2.gz HKPPHUNXEKFARB-OAQYLSRUSA-N 1 1 486.613 1.515 50 0 JDAAMO O=C1N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1CN1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000048326257 569845843 /nfs/dbraw/zinc/84/58/43/569845843.db2.gz UCABWUCKHHSRGT-VWLOTQADSA-N 1 1 497.621 1.537 50 0 JDAAMO COC(=O)C1=C(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318334 569851508 /nfs/dbraw/zinc/85/15/08/569851508.db2.gz DMFVPGPHONLGCL-NRFANRHFSA-N 1 1 469.586 1.582 50 0 JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](C)O)[NH2+][C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000105377513 569852934 /nfs/dbraw/zinc/85/29/34/569852934.db2.gz RBPAMSGCBPOMDZ-JXPHHVDKSA-N 1 1 455.898 1.650 50 0 biogenic JDAAMO C[C@H](O)[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000105379457 569852981 /nfs/dbraw/zinc/85/29/81/569852981.db2.gz XSTLMEBUFXOMLV-WDEDBEGASA-N 1 1 469.881 1.370 50 0 biogenic JDAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[NH2+][C@@H]([C@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000105381904 569853020 /nfs/dbraw/zinc/85/30/20/569853020.db2.gz RABFXJCHUUYKPR-QSSPQYIVSA-N 1 1 453.926 1.992 50 0 biogenic JDAAMO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000107913764 569857883 /nfs/dbraw/zinc/85/78/83/569857883.db2.gz FRZXJZPCLKMHAP-SMOZNVCYSA-N 1 1 467.909 1.934 50 0 JDAAMO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccccc1)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000107913782 569857899 /nfs/dbraw/zinc/85/78/99/569857899.db2.gz IIMWOQANWNZMRW-SMOZNVCYSA-N 1 1 467.909 1.934 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@@H](C(=O)Nc1ccc(F)cc1)C2 ZINC000169677431 569868615 /nfs/dbraw/zinc/86/86/15/569868615.db2.gz KAORKOQGGDJJJJ-LADGPHEKSA-N 1 1 482.556 1.995 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@@H](C(=O)Nc1ccc(F)cc1)C2 ZINC000169677431 569868616 /nfs/dbraw/zinc/86/86/16/569868616.db2.gz KAORKOQGGDJJJJ-LADGPHEKSA-N 1 1 482.556 1.995 50 0 JDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C)O3)C1 ZINC000169683615 569871133 /nfs/dbraw/zinc/87/11/33/569871133.db2.gz ZOIXDOYITCFWMV-KZNAEPCWSA-N 1 1 478.615 1.716 50 0 JDAAMO COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4ccccc4N4CC[N@@H+](C)C[C@H]43)C2=O)cc1OC ZINC000229893477 570041759 /nfs/dbraw/zinc/04/17/59/570041759.db2.gz OBSBAIOQIIZYQT-NVQXNPDNSA-N 1 1 478.549 1.688 50 0 JDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)[NH2+][C@@]32C(=O)Nc3ccccc32)cc1OC ZINC000229900248 570042088 /nfs/dbraw/zinc/04/20/88/570042088.db2.gz KLZCNRCJNIYBSI-NLMUFRJISA-N 1 1 465.506 1.048 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]1[C@@H](C(=O)Nc1ccccc1)C2 ZINC000230129030 570045394 /nfs/dbraw/zinc/04/53/94/570045394.db2.gz QSRLKPYFDVPYRQ-UPVQGACJSA-N 1 1 464.566 1.856 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@H]1[C@@H](C(=O)Nc1ccccc1)C2 ZINC000230129030 570045395 /nfs/dbraw/zinc/04/53/95/570045395.db2.gz QSRLKPYFDVPYRQ-UPVQGACJSA-N 1 1 464.566 1.856 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]1[C@@H](C(=O)NCc1cccc(F)c1)C2 ZINC000230129929 570045492 /nfs/dbraw/zinc/04/54/92/570045492.db2.gz NNEALUWLKFKBNI-ZCYQVOJMSA-N 1 1 496.583 1.672 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@H]1[C@@H](C(=O)NCc1cccc(F)c1)C2 ZINC000230129929 570045493 /nfs/dbraw/zinc/04/54/93/570045493.db2.gz NNEALUWLKFKBNI-ZCYQVOJMSA-N 1 1 496.583 1.672 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]1[C@@H](C(=O)NCc1ccc(F)cc1)C2 ZINC000230138193 570045850 /nfs/dbraw/zinc/04/58/50/570045850.db2.gz QHZFLWWMRMVZTK-ZCYQVOJMSA-N 1 1 496.583 1.672 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@H]1[C@@H](C(=O)NCc1ccc(F)cc1)C2 ZINC000230138193 570045852 /nfs/dbraw/zinc/04/58/52/570045852.db2.gz QHZFLWWMRMVZTK-ZCYQVOJMSA-N 1 1 496.583 1.672 50 0 JDAAMO C[C@H](NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)C(=O)N1CC[NH+](C)CC1 ZINC000245256319 570060271 /nfs/dbraw/zinc/06/02/71/570060271.db2.gz ORVSELLICPVABC-FHWLQOOXSA-N 1 1 450.605 1.050 50 0 JDAAMO COCCN1C(=O)[C@@H]2[C@H]([C@H](O)c3ccc(Cl)cc3)[NH2+][C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000247838931 570069830 /nfs/dbraw/zinc/06/98/30/570069830.db2.gz KEECINBCUAKNDE-QDVUDXHZSA-N 1 1 455.898 1.440 50 0 JDAAMO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000252445418 570080978 /nfs/dbraw/zinc/08/09/78/570080978.db2.gz UBYOSQJNZNZWJP-JXFKEZNVSA-N 1 1 459.568 1.990 50 0 JDAAMO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000252445418 570080979 /nfs/dbraw/zinc/08/09/79/570080979.db2.gz UBYOSQJNZNZWJP-JXFKEZNVSA-N 1 1 459.568 1.990 50 0 JDAAMO Cc1c2c(ccc1Cl)[C@]1([NH2+][C@@H]([C@H](C)O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000252693306 570094555 /nfs/dbraw/zinc/09/45/55/570094555.db2.gz BWMVPJNRGUQRFV-YDXGMGJSSA-N 1 1 483.908 1.679 50 0 biogenic JDAAMO C[C@H](O)[C@@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000252693567 570094639 /nfs/dbraw/zinc/09/46/39/570094639.db2.gz DZSFDEYHFSBIKV-KBECOCHCSA-N 1 1 469.881 1.370 50 0 biogenic JDAAMO Cc1ccccc1-c1noc(CN2CCN(C(=O)NC[C@@H]([C@@H]3CCOC3)[NH+]3CCOCC3)CC2)n1 ZINC000390832631 570185568 /nfs/dbraw/zinc/18/55/68/570185568.db2.gz JPCVLOJKHZJIAL-IRLDBZIGSA-N 1 1 484.601 1.610 50 0 JDAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000002964779 194183853 /nfs/dbraw/zinc/18/38/53/194183853.db2.gz BPAVGWFDMSDSAY-KDURUIRLSA-N 1 1 472.652 1.161 50 0 JDAAMO CCCC[N@@H+](CC)CCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCOCC3)c2c1=O ZINC000004034784 194371017 /nfs/dbraw/zinc/37/10/17/194371017.db2.gz ULXCLFDUICNEEM-UHFFFAOYSA-N 1 1 499.659 1.026 50 0 JDAAMO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)Cc1cccs1 ZINC000009949505 195032601 /nfs/dbraw/zinc/03/26/01/195032601.db2.gz ADMPULKJJQXGTA-UHFFFAOYSA-N 1 1 465.597 1.874 50 0 JDAAMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)Cc1cccs1 ZINC000009949505 195032604 /nfs/dbraw/zinc/03/26/04/195032604.db2.gz ADMPULKJJQXGTA-UHFFFAOYSA-N 1 1 465.597 1.874 50 0 JDAAMO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000012681097 195084156 /nfs/dbraw/zinc/08/41/56/195084156.db2.gz YYTHXWAKJUZVPU-IBGZPJMESA-N 1 1 463.556 1.876 50 0 JDAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1)N1CCCN(C(=O)c2ccco2)CC1 ZINC000012713857 195096427 /nfs/dbraw/zinc/09/64/27/195096427.db2.gz NAIRCSHYVWPCQR-NRFANRHFSA-N 1 1 450.539 1.312 50 0 JDAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1)N1CCCN(C(=O)c2ccco2)CC1 ZINC000012713857 195096429 /nfs/dbraw/zinc/09/64/29/195096429.db2.gz NAIRCSHYVWPCQR-NRFANRHFSA-N 1 1 450.539 1.312 50 0 JDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)NCCCN2CCCC2=O)ccc1Cl ZINC000012751921 195106310 /nfs/dbraw/zinc/10/63/10/195106310.db2.gz JIABLDSVELCLEK-MRXNPFEDSA-N 1 1 471.023 1.845 50 0 JDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)NCCCN2CCCC2=O)ccc1Cl ZINC000012751928 195106375 /nfs/dbraw/zinc/10/63/75/195106375.db2.gz JIABLDSVELCLEK-INIZCTEOSA-N 1 1 471.023 1.845 50 0 JDAAMO Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000012790387 195131368 /nfs/dbraw/zinc/13/13/68/195131368.db2.gz DYJQPOCMPIAPFR-UHFFFAOYSA-N 1 1 475.615 1.251 50 0 JDAAMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)CC1 ZINC000012848342 195153514 /nfs/dbraw/zinc/15/35/14/195153514.db2.gz HLUGJFAHOXPZBF-HNNXBMFYSA-N 1 1 463.431 1.852 50 0 JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@]32c3cc(Cl)ccc3NC2=O)cc1 ZINC000020610965 195184219 /nfs/dbraw/zinc/18/42/19/195184219.db2.gz TULIUXKYVWOXJD-YQYRJILISA-N 1 1 468.897 1.145 50 0 biogenic JDAAMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000020611426 195185149 /nfs/dbraw/zinc/18/51/49/195185149.db2.gz SJIZLSKWOMRBFP-BWCBDTGESA-N 1 1 455.898 1.650 50 0 biogenic JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@]32c3cccc(Cl)c3NC2=O)cc1 ZINC000020611491 195185238 /nfs/dbraw/zinc/18/52/38/195185238.db2.gz WRKDYLMLFCNVHJ-SAQZZPNQSA-N 1 1 468.897 1.145 50 0 biogenic JDAAMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)[NH2+][C@]21c2cc(C)cc(C)c2NC1=O ZINC000020611764 195186045 /nfs/dbraw/zinc/18/60/45/195186045.db2.gz UVLDJCCGURYQSV-LZISPXOZSA-N 1 1 462.506 1.108 50 0 biogenic JDAAMO CC[NH+]1CCN(C(=O)C2CCC(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)CC1 ZINC000020728466 195208887 /nfs/dbraw/zinc/20/88/87/195208887.db2.gz TVLIYFMRXFOEON-UHFFFAOYSA-N 1 1 450.605 1.894 50 0 JDAAMO COCc1ccc(C(=O)NCc2nnc3n2CC[N@H+](Cc2ccc(C(=O)OC)cc2)CC3)o1 ZINC000020910923 195245905 /nfs/dbraw/zinc/24/59/05/195245905.db2.gz HFEOIRKEJSQNIV-UHFFFAOYSA-N 1 1 453.499 1.792 50 0 JDAAMO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)CCc3nnc4ccc(N5CCN(C)CC5)nn43)C2)cc1 ZINC000020923597 195248984 /nfs/dbraw/zinc/24/89/84/195248984.db2.gz CQYVTKZODXZUGB-QFIPXVFZSA-N 1 1 476.629 1.755 50 0 JDAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)c(OC)c1C ZINC000020998326 195265017 /nfs/dbraw/zinc/26/50/17/195265017.db2.gz NVOLDTFOZHVARE-IBGZPJMESA-N 1 1 451.593 1.908 50 0 JDAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)C[C@@H](C)O1 ZINC000021526807 195305501 /nfs/dbraw/zinc/30/55/01/195305501.db2.gz JDJFNHHOEMLBSN-IAGOWNOFSA-N 1 1 479.647 1.760 50 0 JDAAMO CN1C(=O)c2cc(C(=O)NCCC[NH+]3CCOCC3)nn2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021530852 195309168 /nfs/dbraw/zinc/30/91/68/195309168.db2.gz HQYSECBFDNJYMA-DEOSSOPVSA-N 1 1 474.606 1.019 50 0 JDAAMO CC[N@@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1cc(C)c(C)cc1C ZINC000021534333 195310651 /nfs/dbraw/zinc/31/06/51/195310651.db2.gz DZHHXACJVZSUJN-NRFANRHFSA-N 1 1 450.649 1.909 50 0 JDAAMO CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1cc(C)c(C)cc1C ZINC000021534333 195310653 /nfs/dbraw/zinc/31/06/53/195310653.db2.gz DZHHXACJVZSUJN-NRFANRHFSA-N 1 1 450.649 1.909 50 0 JDAAMO C[N@@H+](CCN1CCOCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)CC1 ZINC000021888024 195325483 /nfs/dbraw/zinc/32/54/83/195325483.db2.gz ZBCVVVRYHLAYQH-UHFFFAOYSA-N 1 1 450.605 1.379 50 0 JDAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1=C(C)C(=O)OC12CCN(S(=O)(=O)CC)CC2 ZINC000021887761 195325618 /nfs/dbraw/zinc/32/56/18/195325618.db2.gz QSAVLZPYYYTPQC-SFHVURJKSA-N 1 1 455.621 1.815 50 0 biogenic JDAAMO CCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCC[NH+]4CCOCC4)C3)ccc21 ZINC000021937956 195337512 /nfs/dbraw/zinc/33/75/12/195337512.db2.gz ACYZOWYSOJTWLL-FQEVSTJZSA-N 1 1 462.616 1.900 50 0 JDAAMO CCN1CC[NH+](CCCNC(=O)CN2c3cc(C(=O)N(C)C)ccc3N3CCCC[C@@H]3C2=O)CC1 ZINC000021942151 195339278 /nfs/dbraw/zinc/33/92/78/195339278.db2.gz BJASCURTEMRILC-JOCHJYFZSA-N 1 1 484.645 1.238 50 0 JDAAMO CCN1CC[NH+](CCCNC(=O)Cn2c3ccccc3n(Cc3ccccc3)c(=O)c2=O)CC1 ZINC000021944385 195340018 /nfs/dbraw/zinc/34/00/18/195340018.db2.gz KEOHIFAWYGRCKX-UHFFFAOYSA-N 1 1 463.582 1.355 50 0 JDAAMO CCn1cc(NC(=O)C2CC[NH+]([C@@H](C)C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)CC2)cn1 ZINC000058157573 195367815 /nfs/dbraw/zinc/36/78/15/195367815.db2.gz RIKJOMAEDYEBQT-INIZCTEOSA-N 1 1 476.603 1.831 50 0 JDAAMO O=C(CCn1c(=O)oc2ccccc21)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000058441290 195379957 /nfs/dbraw/zinc/37/99/57/195379957.db2.gz MEINCBXGYPPONL-UHFFFAOYSA-N 1 1 452.511 1.962 50 0 JDAAMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)CC2)cc1C ZINC000058186092 195372553 /nfs/dbraw/zinc/37/25/53/195372553.db2.gz QIYNQDRMPKAJRI-FQEVSTJZSA-N 1 1 452.621 1.676 50 0 JDAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)CCC(=O)N2CCc3c(c(C(=O)N4CCCC4)nn3C)C2)C1 ZINC000064565475 195441181 /nfs/dbraw/zinc/44/11/81/195441181.db2.gz ZLLWEZHXICLNPW-IBGZPJMESA-N 1 1 472.634 1.559 50 0 JDAAMO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)cc1 ZINC000096471170 130095884 /nfs/dbraw/zinc/09/58/84/130095884.db2.gz SUXBCJKUIIPOLI-HNNXBMFYSA-N 1 1 485.303 1.360 50 0 JDAAMO CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CC[NH+](CC)CC1)C(=O)[C@H]1CCCCN21 ZINC000064966471 520811086 /nfs/dbraw/zinc/81/10/86/520811086.db2.gz HKHWWXLWPZABOM-OAQYLSRUSA-N 1 1 491.658 1.587 50 0 JDAAMO CCN1CCC[C@@H]1CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000045974496 521632500 /nfs/dbraw/zinc/63/25/00/521632500.db2.gz QSWCFYSKWQQETA-QGZVFWFLSA-N 1 1 473.437 1.356 50 0 JDAAMO CCN1CCC[C@H]1CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cc(Cl)ccc1OC ZINC000045974514 521653587 /nfs/dbraw/zinc/65/35/87/521653587.db2.gz PDERDZLDLLMRNM-KRWDZBQOSA-N 1 1 459.012 1.255 50 0 JDAAMO CC[N@@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000045966809 521653800 /nfs/dbraw/zinc/65/38/00/521653800.db2.gz TYPXEBMTGDSAIM-IBGZPJMESA-N 1 1 462.591 1.461 50 0 JDAAMO CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000045966809 521653802 /nfs/dbraw/zinc/65/38/02/521653802.db2.gz TYPXEBMTGDSAIM-IBGZPJMESA-N 1 1 462.591 1.461 50 0 JDAAMO CC[N@@H+]1CCC[C@H]1CNCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000022809404 521658085 /nfs/dbraw/zinc/65/80/85/521658085.db2.gz AKUZIUAZUFEOMO-IBGZPJMESA-N 1 1 479.647 1.320 50 0 JDAAMO CC[N@H+]1CCC[C@H]1CNCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000022809404 521658086 /nfs/dbraw/zinc/65/80/86/521658086.db2.gz AKUZIUAZUFEOMO-IBGZPJMESA-N 1 1 479.647 1.320 50 0 JDAAMO CC[NH+]1CCN(C(=O)Cn2c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3oc2=O)CC1 ZINC000020356783 521664122 /nfs/dbraw/zinc/66/41/22/521664122.db2.gz MDEHCNKMASOXIP-CALCHBBNSA-N 1 1 464.588 1.425 50 0 JDAAMO CC[NH+]1CCN(C(=O)Cn2c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3oc2=O)CC1 ZINC000020356784 521664648 /nfs/dbraw/zinc/66/46/48/521664648.db2.gz MDEHCNKMASOXIP-IAGOWNOFSA-N 1 1 464.588 1.425 50 0 JDAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccccc4)s3)C2)CC1 ZINC000033263436 521666546 /nfs/dbraw/zinc/66/65/46/521666546.db2.gz DPGMHQIEBBOYHQ-MRXNPFEDSA-N 1 1 456.572 1.807 50 0 JDAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)CC1 ZINC000033263197 521669072 /nfs/dbraw/zinc/66/90/72/521669072.db2.gz FXPFYZHCOKYUCD-HNNXBMFYSA-N 1 1 474.562 1.946 50 0 JDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4ccc5c(c4)OCCO5)c(=O)c3s2)CC1 ZINC000021886412 521701492 /nfs/dbraw/zinc/70/14/92/521701492.db2.gz ZKFBIXWLXYWJBS-UHFFFAOYSA-N 1 1 456.528 1.405 50 0 JDAAMO COC(=O)c1c(OC[C@@H]2CC(=O)N(C)C2)cc(=O)n2c1CC[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000014960380 521780006 /nfs/dbraw/zinc/78/00/06/521780006.db2.gz QCOAGSMHTNEUGI-LJQANCHMSA-N 1 1 453.539 1.859 50 0 JDAAMO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000012515429 521985937 /nfs/dbraw/zinc/98/59/37/521985937.db2.gz SVBYYGHBNFYUNS-HXUWFJFHSA-N 1 1 472.611 1.778 50 0 JDAAMO CN(C)S(=O)(=O)c1ccc(SCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)nc1 ZINC000014800752 521988835 /nfs/dbraw/zinc/98/88/35/521988835.db2.gz CFTFBJRKRKJYAO-UHFFFAOYSA-N 1 1 456.634 1.575 50 0 JDAAMO COc1cc(C[N@H+]2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc(OC)c1OC ZINC000014885721 522397695 /nfs/dbraw/zinc/39/76/95/522397695.db2.gz UNEULVKBKFOQKU-UHFFFAOYSA-N 1 1 466.542 1.730 50 0 JDAAMO COc1cc(C[N@@H+]2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc(OC)c1OC ZINC000014885721 522397702 /nfs/dbraw/zinc/39/77/02/522397702.db2.gz UNEULVKBKFOQKU-UHFFFAOYSA-N 1 1 466.542 1.730 50 0 JDAAMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2nnc([C@@H](NS(C)(=O)=O)C(C)C)n2CC1 ZINC000012328883 522822719 /nfs/dbraw/zinc/82/27/19/522822719.db2.gz OVZIAZLZLCBVMX-FQEVSTJZSA-N 1 1 467.592 1.609 50 0 JDAAMO CCn1c(=O)c(-c2noc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)n2)nn(-c2ccccc2)c1=O ZINC000045945671 523099117 /nfs/dbraw/zinc/09/91/17/523099117.db2.gz QNVGFMYHBYCINR-HNNXBMFYSA-N 1 1 453.503 1.068 50 0 JDAAMO CCn1c(=O)c(-c2noc(C(=O)NCC[N@@H+](C)C3CCCCC3)n2)nn(-c2ccccc2)c1=O ZINC000045945681 523099214 /nfs/dbraw/zinc/09/92/14/523099214.db2.gz ILJFEAGQAYFYJH-UHFFFAOYSA-N 1 1 467.530 1.458 50 0 JDAAMO C[N@H+](Cc1cccc(OCCN2CCN(C(=O)c3ccccn3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000012279955 523317417 /nfs/dbraw/zinc/31/74/17/523317417.db2.gz ZCKIYDLDTWKXCE-OAQYLSRUSA-N 1 1 451.571 1.629 50 0 JDAAMO COCCN1C(=O)C[C@@](CC(=O)N(C)CCC[NH+]2CCOCC2)(c2ccccc2Cl)C1=O ZINC000020452383 523798460 /nfs/dbraw/zinc/79/84/60/523798460.db2.gz VIGKKTGHDYNJGB-QHCPKHFHSA-N 1 1 465.978 1.554 50 0 JDAAMO C[NH+]1CCN(C(=O)Cn2c(=O)c3c(ncn3Cc3ccccc3)n(Cc3ccccc3)c2=O)CC1 ZINC000012506892 523876647 /nfs/dbraw/zinc/87/66/47/523876647.db2.gz VWMDQKLEVQVCKG-UHFFFAOYSA-N 1 1 472.549 1.230 50 0 JDAAMO COCCNC(=O)c1cc(NS(=O)(=O)c2cc(OC)ccc2OC)ccc1N1CC[NH2+]CC1 ZINC000033121072 523922174 /nfs/dbraw/zinc/92/21/74/523922174.db2.gz YRFIUICCJJBKQS-UHFFFAOYSA-N 1 1 478.571 1.290 50 0 JDAAMO COc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c(Cl)c1OC ZINC000020452814 524039572 /nfs/dbraw/zinc/03/95/72/524039572.db2.gz ASRSEFAMCKLRMH-KRWDZBQOSA-N 1 1 463.966 1.845 50 0 JDAAMO COc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c(Cl)c1OC ZINC000020452814 524039575 /nfs/dbraw/zinc/03/95/75/524039575.db2.gz ASRSEFAMCKLRMH-KRWDZBQOSA-N 1 1 463.966 1.845 50 0 JDAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)CCC(=O)N2CCc3c(c(C(=O)N4CCCCC4)nn3C)C2)C1 ZINC000035457798 524087534 /nfs/dbraw/zinc/08/75/34/524087534.db2.gz BAWUTVWKSAIWTN-FQEVSTJZSA-N 1 1 486.661 1.949 50 0 JDAAMO C[C@@H]1CCCC[N@H+]1CCN(CCS(=O)(=O)N1CCNCC1)C(=O)c1ccccc1Cl ZINC000046141046 524107308 /nfs/dbraw/zinc/10/73/08/524107308.db2.gz GITZJHXWFBZXHB-GOSISDBHSA-N 1 1 457.040 1.892 50 0 JDAAMO Cc1cc(C)c(S(=O)(=O)N(CCC[NH+]2CCCCC2)CC(=O)N2CCNCC2)cc1C ZINC000045974723 524313315 /nfs/dbraw/zinc/31/33/15/524313315.db2.gz BTCYEYHXFGZGJA-UHFFFAOYSA-N 1 1 450.649 1.910 50 0 JDAAMO Cc1cccc(CN2CCCn3nc(C(=O)N[C@H](C)C(=O)N4CC[NH+](C)CC4)cc3C2=O)c1 ZINC000034676324 524398218 /nfs/dbraw/zinc/39/82/18/524398218.db2.gz HJXRGRJMGLJKRB-GOSISDBHSA-N 1 1 452.559 1.130 50 0 JDAAMO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H](CC(N)=O)[NH2+][C@]23c2cc(Cl)ccc2NC3=O)c1 ZINC000015972215 524862356 /nfs/dbraw/zinc/86/23/56/524862356.db2.gz DTLASVUMNJUMTB-FIKRCHLTSA-N 1 1 458.902 1.997 50 0 JDAAMO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H](CC(N)=O)[NH2+][C@]23c2cc(Cl)ccc2NC3=O)c1 ZINC000015972219 524863517 /nfs/dbraw/zinc/86/35/17/524863517.db2.gz DTLASVUMNJUMTB-XTCJLCLGSA-N 1 1 458.902 1.997 50 0 JDAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@H]([C@@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000035363866 524876460 /nfs/dbraw/zinc/87/64/60/524876460.db2.gz NUECCNYFQWXVIR-VBXZMTOYSA-N 1 1 453.926 1.992 50 0 biogenic JDAAMO COc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000045945486 525013742 /nfs/dbraw/zinc/01/37/42/525013742.db2.gz OYSGDORYLMQTIY-PMACEKPBSA-N 1 1 466.648 1.771 50 0 JDAAMO COc1ccc(S(=O)(=O)N(CCC[NH+]2CCCCC2)CCC(=O)N2CCNCC2)cc1OC ZINC000045945113 525014917 /nfs/dbraw/zinc/01/49/17/525014917.db2.gz WWKTUMIIONMDOJ-UHFFFAOYSA-N 1 1 482.647 1.392 50 0 JDAAMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C(=O)N3CC[NH+](C)CC3)C(C)C)CC2)cc1 ZINC000020357421 525520305 /nfs/dbraw/zinc/52/03/05/525520305.db2.gz WDAGIRXNGFJCPT-NRFANRHFSA-N 1 1 464.632 1.311 50 0 JDAAMO C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CC[NH+](Cc3cccs3)CC2)C1=O ZINC000022804944 525827516 /nfs/dbraw/zinc/82/75/16/525827516.db2.gz AMHZIWZSORCQAT-QHCPKHFHSA-N 1 1 455.584 1.840 50 0 JDAAMO 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/nfs/dbraw/zinc/99/09/56/555990956.db2.gz PGFBETGIZIYUGQ-UHFFFAOYSA-N 1 1 478.597 1.503 50 0 JDAAMO CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@H]1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000015775882 555994940 /nfs/dbraw/zinc/99/49/40/555994940.db2.gz WMYIUGPBTVQVTP-QHCPKHFHSA-N 1 1 492.642 1.366 50 0 JDAAMO COCC[NH+]1CCN(C(=O)C[C@]2(c3ccccc3C)CC(=O)N(Cc3cccnc3)C2=O)CC1 ZINC000023128895 556018171 /nfs/dbraw/zinc/01/81/71/556018171.db2.gz MMOMMQWURLBFGE-AREMUKBSSA-N 1 1 464.566 1.768 50 0 JDAAMO COc1ccc(OC)c(C[N@@H+]2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c1 ZINC000023129456 556019001 /nfs/dbraw/zinc/01/90/01/556019001.db2.gz MFBPIIWFVZXAMY-UHFFFAOYSA-N 1 1 450.543 1.998 50 0 JDAAMO C[C@H](NC(=O)C(=O)N1CCOCC1)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023181162 556027691 /nfs/dbraw/zinc/02/76/91/556027691.db2.gz NJSMPXQJCIRFPT-SIKLNZKXSA-N 1 1 456.612 1.971 50 0 JDAAMO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000012550296 556031085 /nfs/dbraw/zinc/03/10/85/556031085.db2.gz VFZFGGNEHORHIY-OAQYLSRUSA-N 1 1 476.599 1.933 50 0 JDAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21 ZINC000023212143 556031415 /nfs/dbraw/zinc/03/14/15/556031415.db2.gz MPXWYGBIEBYHBN-UHFFFAOYSA-N 1 1 476.599 1.545 50 0 JDAAMO Cc1ccc(C[N@@H+]2CCCN(C(=O)CNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)CC2)cc1 ZINC000023243381 556033683 /nfs/dbraw/zinc/03/36/83/556033683.db2.gz GGJWCSCQOLENAS-UHFFFAOYSA-N 1 1 472.611 1.710 50 0 JDAAMO CCn1c(=O)c(N2CCN(C(=O)[C@@H](C)Cn3cc[nH+]c3C)CC2)c(C)n(-c2ccccc2)c1=O ZINC000015863314 556037518 /nfs/dbraw/zinc/03/75/18/556037518.db2.gz YMBCLYWKVPNRBJ-SFHVURJKSA-N 1 1 464.570 1.817 50 0 JDAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C ZINC000012556667 556043215 /nfs/dbraw/zinc/04/32/15/556043215.db2.gz VUICGMKPSIHIEH-IBGZPJMESA-N 1 1 491.658 1.908 50 0 JDAAMO COc1ccccc1CN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000015868807 556046678 /nfs/dbraw/zinc/04/66/78/556046678.db2.gz CRIOODPWZBVSNA-UHFFFAOYSA-N 1 1 481.640 1.738 50 0 JDAAMO Cc1ccc(C)c(S(=O)(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)Cc2ccc(F)cc2)c1 ZINC000015868923 556047124 /nfs/dbraw/zinc/04/71/24/556047124.db2.gz BXDDCTHUGBKEGM-UHFFFAOYSA-N 1 1 469.604 1.868 50 0 JDAAMO COc1cccc(CN(CCS(=O)(=O)N2CC[NH2+]CC2)S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000015868914 556047146 /nfs/dbraw/zinc/04/71/46/556047146.db2.gz YNXSFHOFRQTBEB-UHFFFAOYSA-N 1 1 481.640 1.738 50 0 JDAAMO CC(=O)Nc1ccc(S(=O)(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)Cc2ccc(F)cc2)cc1 ZINC000015868921 556047211 /nfs/dbraw/zinc/04/72/11/556047211.db2.gz VRZWBLZJTISUEV-UHFFFAOYSA-N 1 1 498.602 1.210 50 0 JDAAMO Cc1ccc(S(=O)(=O)N(CC[N@@H+]2CCCC[C@H]2C)CCS(=O)(=O)N2CCNCC2)cc1C ZINC000015869007 556047938 /nfs/dbraw/zinc/04/79/38/556047938.db2.gz KWBWWYKDLGYEAW-OAQYLSRUSA-N 1 1 486.704 1.404 50 0 JDAAMO Cc1ccc(S(=O)(=O)N(CC[N@@H+]2CCCC[C@@H]2C)CCS(=O)(=O)N2CCNCC2)cc1C ZINC000015869008 556048026 /nfs/dbraw/zinc/04/80/26/556048026.db2.gz KWBWWYKDLGYEAW-NRFANRHFSA-N 1 1 486.704 1.404 50 0 JDAAMO Cc1ccc(C)c(S(=O)(=O)N(CC[N@@H+]2CCCC[C@H]2C)CCS(=O)(=O)N2CCNCC2)c1 ZINC000015869003 556048043 /nfs/dbraw/zinc/04/80/43/556048043.db2.gz ZEYMEEHPJULIFY-OAQYLSRUSA-N 1 1 486.704 1.404 50 0 JDAAMO COc1ccc(C[N@@H+]2C[C@@H](CN3CCN(C)CC3)C[C@@H](C(=O)NC[C@@H]3CCCO3)C2)cc1OC ZINC000023353899 556048546 /nfs/dbraw/zinc/04/85/46/556048546.db2.gz JCPPOKNKOYEQGD-ZLNRFVROSA-N 1 1 474.646 1.685 50 0 JDAAMO COc1ccc(C[N@H+]2C[C@@H](CN3CCN(C)CC3)C[C@@H](C(=O)NC[C@@H]3CCCO3)C2)cc1OC ZINC000023353899 556048550 /nfs/dbraw/zinc/04/85/50/556048550.db2.gz JCPPOKNKOYEQGD-ZLNRFVROSA-N 1 1 474.646 1.685 50 0 JDAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000023486669 556075424 /nfs/dbraw/zinc/07/54/24/556075424.db2.gz FDKGFZYRTXUECM-UHFFFAOYSA-N 1 1 451.589 1.472 50 0 JDAAMO COc1cc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)ccc1OCC(=O)N1CCOCC1 ZINC000023703198 556084593 /nfs/dbraw/zinc/08/45/93/556084593.db2.gz CKRCKEFKQUFBJR-UHFFFAOYSA-N 1 1 475.586 1.698 50 0 JDAAMO CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)CC2=O)cc1 ZINC000023732397 556086006 /nfs/dbraw/zinc/08/60/06/556086006.db2.gz YJNPOTFIHSUYDT-PZJWPPBQSA-N 1 1 492.642 1.393 50 0 JDAAMO CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)CC2=O)cc1 ZINC000023732400 556086504 /nfs/dbraw/zinc/08/65/04/556086504.db2.gz YJNPOTFIHSUYDT-TZIWHRDSSA-N 1 1 492.642 1.393 50 0 JDAAMO Cc1cccc(C[NH+]2CCN(C(=O)CN(C)[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)CC2)c1 ZINC000023762899 556087964 /nfs/dbraw/zinc/08/79/64/556087964.db2.gz AHMRCWBMIWJBDS-LJQANCHMSA-N 1 1 451.571 1.697 50 0 JDAAMO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3OC)C(=O)[C@H]21 ZINC000015956620 556088359 /nfs/dbraw/zinc/08/83/59/556088359.db2.gz IJINYSAVVXFPFF-LZISPXOZSA-N 1 1 462.506 1.054 50 0 biogenic JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@@]32c3cc(Cl)cc(C)c3NC2=O)cc1 ZINC000015956692 556088706 /nfs/dbraw/zinc/08/87/06/556088706.db2.gz RTLALERPMMDQFG-DOGKRZLPSA-N 1 1 482.924 1.453 50 0 biogenic JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@@]32c3cc(C)cc(Cl)c3NC2=O)cc1 ZINC000015958590 556090316 /nfs/dbraw/zinc/09/03/16/556090316.db2.gz FKNYZLPNAVUPGM-BKJGLDIHSA-N 1 1 482.924 1.453 50 0 biogenic JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000015958952 556090700 /nfs/dbraw/zinc/09/07/00/556090700.db2.gz PMFKKVJEXDPCGE-WKVINZIJSA-N 1 1 462.506 1.108 50 0 biogenic JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@@]32c3ccc(Cl)c(C)c3NC2=O)cc1 ZINC000015959136 556090758 /nfs/dbraw/zinc/09/07/58/556090758.db2.gz BMDTUJQSZRATGT-BKJGLDIHSA-N 1 1 482.924 1.453 50 0 biogenic JDAAMO Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@@H](CC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959819 556092154 /nfs/dbraw/zinc/09/21/54/556092154.db2.gz SUTBASSTIJUPRM-DOGKRZLPSA-N 1 1 466.925 1.487 50 0 biogenic JDAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015967764 556094239 /nfs/dbraw/zinc/09/42/39/556094239.db2.gz IXDSTUKBLMMVOC-FRLSHVLYSA-N 1 1 496.907 1.173 50 0 biogenic JDAAMO NC(=O)C[C@@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015968246 556094478 /nfs/dbraw/zinc/09/44/78/556094478.db2.gz FOXOTUJWTVHLJC-XQNUDUSMSA-N 1 1 452.898 1.179 50 0 biogenic JDAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969629 556095674 /nfs/dbraw/zinc/09/56/74/556095674.db2.gz IBJQJMXXEBRGSG-DOGKRZLPSA-N 1 1 466.925 1.487 50 0 biogenic JDAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969889 556095942 /nfs/dbraw/zinc/09/59/42/556095942.db2.gz NAMMSLZIEDUSTO-NARGUJOISA-N 1 1 466.925 1.487 50 0 biogenic JDAAMO Cn1c2ncn(CC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000023955669 556103956 /nfs/dbraw/zinc/10/39/56/556103956.db2.gz OLTDOAMHQLHNEW-UHFFFAOYSA-N 1 1 472.549 1.368 50 0 JDAAMO NC(=O)C[C@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 ZINC000016009694 556108074 /nfs/dbraw/zinc/10/80/74/556108074.db2.gz CPDZJNFKRQNLFI-SKGWCBBHSA-N 1 1 473.316 1.789 50 0 JDAAMO NC(=O)C[C@@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@@H]21 ZINC000016009695 556108265 /nfs/dbraw/zinc/10/82/65/556108265.db2.gz CPDZJNFKRQNLFI-RPWDQDSNSA-N 1 1 473.316 1.789 50 0 JDAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016009733 556108715 /nfs/dbraw/zinc/10/87/15/556108715.db2.gz POBTUOSSPLAQCR-SAQZZPNQSA-N 1 1 470.888 1.584 50 0 JDAAMO Cc1c2c(ccc1Cl)[C@]1([NH2+][C@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]31)C(=O)N2 ZINC000016010203 556109770 /nfs/dbraw/zinc/10/97/70/556109770.db2.gz BDRYVDPONKBAAI-SAQZZPNQSA-N 1 1 470.888 1.584 50 0 JDAAMO NC(=O)C[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 ZINC000016012641 556111398 /nfs/dbraw/zinc/11/13/98/556111398.db2.gz OQMFCUJHSQGUCN-YDGKCNFYSA-N 1 1 456.861 1.275 50 0 JDAAMO Cc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016021291 556113760 /nfs/dbraw/zinc/11/37/60/556113760.db2.gz DJFORABKBRCNIF-XQNUDUSMSA-N 1 1 452.898 1.444 50 0 JDAAMO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)Cn4nnc5ccccc5c4=O)CC3)n2)cc1 ZINC000024823325 556156847 /nfs/dbraw/zinc/15/68/47/556156847.db2.gz GGSKEMCEHCVQKY-UHFFFAOYSA-N 1 1 473.537 1.927 50 0 JDAAMO O=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000024835999 556159066 /nfs/dbraw/zinc/15/90/66/556159066.db2.gz WSEVYKCKPYCYAV-LJQANCHMSA-N 1 1 476.624 1.585 50 0 JDAAMO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000024880149 556162218 /nfs/dbraw/zinc/16/22/18/556162218.db2.gz NPCBDRSSTHOXMF-UHFFFAOYSA-N 1 1 465.938 1.895 50 0 JDAAMO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000024880149 556162220 /nfs/dbraw/zinc/16/22/20/556162220.db2.gz NPCBDRSSTHOXMF-UHFFFAOYSA-N 1 1 465.938 1.895 50 0 JDAAMO O=S(=O)(c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1)N1CCOCC1 ZINC000025329679 556209071 /nfs/dbraw/zinc/20/90/71/556209071.db2.gz ITKOZGDHUUYTFG-NRFANRHFSA-N 1 1 479.574 1.409 50 0 JDAAMO O=C1c2ccccc2C(=O)N1CCCN1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000019228124 556336074 /nfs/dbraw/zinc/33/60/74/556336074.db2.gz XFNNGPQZTYFXLK-UHFFFAOYSA-N 1 1 460.534 1.977 50 0 JDAAMO CN1C(=O)N(C)C(=O)C(Cc2ccc3c(c2)OCO3)(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C1=O ZINC000019702945 556360677 /nfs/dbraw/zinc/36/06/77/556360677.db2.gz WQFNWYOGGGSASB-MSOLQXFVSA-N 1 1 492.532 1.276 50 0 biogenic JDAAMO COC(=O)c1ccc(C[N@@H+]2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)cc1 ZINC000019740557 556364116 /nfs/dbraw/zinc/36/41/16/556364116.db2.gz WCYQARRAGVSACV-UHFFFAOYSA-N 1 1 455.540 1.602 50 0 JDAAMO Cc1cc(C)nc(-c2cccc3c2O[C@@H](CNC(=O)CC[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)C3)n1 ZINC000019745269 556366005 /nfs/dbraw/zinc/36/60/05/556366005.db2.gz HGIHBBMNHIHIOZ-RTBURBONSA-N 1 1 458.584 1.689 50 0 JDAAMO Cc1cc(C)nc(-c2cccc3c2O[C@@H](CNC(=O)CC[N@H+](C)[C@@H]2CCS(=O)(=O)C2)C3)n1 ZINC000019745269 556366007 /nfs/dbraw/zinc/36/60/07/556366007.db2.gz HGIHBBMNHIHIOZ-RTBURBONSA-N 1 1 458.584 1.689 50 0 JDAAMO O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1)Nc1cccc(Cl)c1 ZINC000019818625 556386538 /nfs/dbraw/zinc/38/65/38/556386538.db2.gz YNWSXHYCSXBACL-JOCHJYFZSA-N 1 1 484.000 1.813 50 0 JDAAMO CC[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000032776719 556492036 /nfs/dbraw/zinc/49/20/36/556492036.db2.gz VMNQAHGQIGBMNU-UHFFFAOYSA-N 1 1 453.543 1.852 50 0 JDAAMO C[C@H](OC(=O)c1cccc(CN2C(=O)CNC2=O)c1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000032901759 556529120 /nfs/dbraw/zinc/52/91/20/556529120.db2.gz SSLBSQCCEIOLKR-SFHVURJKSA-N 1 1 464.522 1.628 50 0 JDAAMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000032912919 556537100 /nfs/dbraw/zinc/53/71/00/556537100.db2.gz UQPSFUMANJESIG-NRFANRHFSA-N 1 1 462.616 1.169 50 0 JDAAMO CN1CC[NH+](Cc2ccc(CNC(=O)C3=NN(c4ccc(F)cc4)[C@H](C(N)=O)C3)cc2)CC1 ZINC000032933057 556548263 /nfs/dbraw/zinc/54/82/63/556548263.db2.gz PSRCAWWKXXVIHG-QFIPXVFZSA-N 1 1 452.534 1.310 50 0 JDAAMO CN(CC(=O)NCC[NH+]1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000059817819 563209267 /nfs/dbraw/zinc/20/92/67/563209267.db2.gz CTXGUYUFZVQXKB-UHFFFAOYSA-N 1 1 485.610 1.130 50 0 JDAAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000059854761 563209324 /nfs/dbraw/zinc/20/93/24/563209324.db2.gz YVTAPMJKWLDTNH-UHFFFAOYSA-N 1 1 498.609 1.562 50 0 JDAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000061878084 563209643 /nfs/dbraw/zinc/20/96/43/563209643.db2.gz WVOWKGJDRNOJQT-KRWDZBQOSA-N 1 1 481.022 1.402 50 0 JDAAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000056925369 569592454 /nfs/dbraw/zinc/59/24/54/569592454.db2.gz MZYGUHIZOCDLHD-LJQANCHMSA-N 1 1 465.554 1.685 50 0 JDAAMO O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000057358701 569599229 /nfs/dbraw/zinc/59/92/29/569599229.db2.gz XNWVCXWJHJCNPA-KRWDZBQOSA-N 1 1 464.613 1.971 50 0 JDAAMO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000008726310 569600723 /nfs/dbraw/zinc/60/07/23/569600723.db2.gz IXKQZFUOUYTPRE-FQEVSTJZSA-N 1 1 452.527 1.973 50 0 JDAAMO COC(=O)C1C(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)=NC(=O)N[C@@H]1c1cccs1 ZINC000057415906 569601250 /nfs/dbraw/zinc/60/12/50/569601250.db2.gz OQLWGWZOJCVDRS-GOSISDBHSA-N 1 1 461.588 1.335 50 0 JDAAMO COC(=O)C1C(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)=NC(=O)N[C@H]1c1cccs1 ZINC000057415907 569601262 /nfs/dbraw/zinc/60/12/62/569601262.db2.gz OQLWGWZOJCVDRS-SFHVURJKSA-N 1 1 461.588 1.335 50 0 JDAAMO Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000008734007 569601724 /nfs/dbraw/zinc/60/17/24/569601724.db2.gz RPVROERWBNLCPQ-LJQANCHMSA-N 1 1 451.556 1.945 50 0 JDAAMO Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000008734008 569601757 /nfs/dbraw/zinc/60/17/57/569601757.db2.gz RPVROERWBNLCPQ-IBGZPJMESA-N 1 1 451.556 1.945 50 0 JDAAMO CCN1CC[NH+](CCCNC(=O)COCc2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 ZINC000032987483 569609502 /nfs/dbraw/zinc/60/95/02/569609502.db2.gz BOXBBNSQAGGMBL-UHFFFAOYSA-N 1 1 460.604 1.759 50 0 JDAAMO CCN1CC[NH+](CCCNC(=O)COCc2nnc(C(=O)Nc3ccc(OC)cc3)s2)CC1 ZINC000032987408 569609566 /nfs/dbraw/zinc/60/95/66/569609566.db2.gz BWZPRRGVPCVTKE-UHFFFAOYSA-N 1 1 476.603 1.459 50 0 JDAAMO CN1CC[NH+](CCCNC(=O)COCc2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 ZINC000032987616 569609573 /nfs/dbraw/zinc/60/95/73/569609573.db2.gz OAKDMEHQHANAJY-UHFFFAOYSA-N 1 1 450.540 1.200 50 0 JDAAMO CC1=[NH+]N(CCN2CCN(c3cccc(Cl)c3)CC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C ZINC000061971806 569609648 /nfs/dbraw/zinc/60/96/48/569609648.db2.gz TWCZOSKTKZWMCQ-INIZCTEOSA-N 1 1 484.992 1.666 50 0 JDAAMO CC1=NN(CC[NH+]2CCN(c3cccc(Cl)c3)CC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C ZINC000061971806 569609649 /nfs/dbraw/zinc/60/96/49/569609649.db2.gz TWCZOSKTKZWMCQ-INIZCTEOSA-N 1 1 484.992 1.666 50 0 JDAAMO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H](CC(N)=O)[NH2+][C@@]23c2cc(Cl)ccc2NC3=O)c1 ZINC000064137084 569616391 /nfs/dbraw/zinc/61/63/91/569616391.db2.gz DTLASVUMNJUMTB-PVSQZPHNSA-N 1 1 458.902 1.997 50 0 JDAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CCC(=O)N1CCc2c(c(C(=O)N3CCCC3)nn2C)C1 ZINC000064565465 569618895 /nfs/dbraw/zinc/61/88/95/569618895.db2.gz DCVIMCCSNGRJJU-LJQANCHMSA-N 1 1 472.634 1.702 50 0 JDAAMO Cn1nc(C(=O)Nc2ccccc2)c2c1CCN(C(=O)CCC(=O)NCCC[NH+]1CCN(C)CC1)C2 ZINC000064565637 569619233 /nfs/dbraw/zinc/61/92/33/569619233.db2.gz RANNHJCDSHUSNS-UHFFFAOYSA-N 1 1 495.628 1.091 50 0 JDAAMO C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(-c4noc(C5CC5)n4)cc3)CC2)CC1 ZINC000033276798 569622012 /nfs/dbraw/zinc/62/20/12/569622012.db2.gz SBSHDXMBCQEQPM-UHFFFAOYSA-N 1 1 459.572 1.789 50 0 JDAAMO Cc1cccc(CN2CCCn3nc(C(=O)N[C@@H](C)C(=O)N4CC[NH+](C)CC4)cc3C2=O)c1 ZINC000034676323 569641446 /nfs/dbraw/zinc/64/14/46/569641446.db2.gz HJXRGRJMGLJKRB-SFHVURJKSA-N 1 1 452.559 1.130 50 0 JDAAMO Cc1cccc(CN2CCCn3nc(C(=O)NCCC(=O)N4CC[NH+](C)CC4)cc3C2=O)c1 ZINC000034676325 569641459 /nfs/dbraw/zinc/64/14/59/569641459.db2.gz MXFFTSDLNYMNOZ-UHFFFAOYSA-N 1 1 452.559 1.132 50 0 JDAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000064921439 569645563 /nfs/dbraw/zinc/64/55/63/569645563.db2.gz HPMOLLWEXKCNHC-UHFFFAOYSA-N 1 1 498.605 1.593 50 0 JDAAMO CCN1CC[NH+](CCCNC(=O)[C@H]2CCCN(c3nc4ccccc4n(CC)c3=O)C2)CC1 ZINC000064926697 569646900 /nfs/dbraw/zinc/64/69/00/569646900.db2.gz BDZDJAKUQKHORC-FQEVSTJZSA-N 1 1 454.619 1.777 50 0 JDAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc2c(cc1Cl)N(Cc1noc(C)n1)C(=O)CO2 ZINC000065022438 569649089 /nfs/dbraw/zinc/64/90/89/569649089.db2.gz UXVJDEJLDQLJHQ-CYBMUJFWSA-N 1 1 469.951 1.720 50 0 JDAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc2c(cc1C)N(Cc1noc(C3CC3)n1)C(=O)CO2 ZINC000065022820 569649619 /nfs/dbraw/zinc/64/96/19/569649619.db2.gz OJCDWPXSPLXDDZ-MRXNPFEDSA-N 1 1 475.571 1.944 50 0 JDAAMO CCn1c(=O)n(CC(=O)NCCC[NH+]2CCOCC2)c(=O)c2cnc(-c3ccc(Cl)cc3)nc21 ZINC000065056965 569654262 /nfs/dbraw/zinc/65/42/62/569654262.db2.gz ALVXQIUGLAFHAE-UHFFFAOYSA-N 1 1 486.960 1.132 50 0 JDAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)Cn1c(=O)c2cnc(-c3ccc(Cl)cc3)nc2n(C)c1=O ZINC000065057102 569654330 /nfs/dbraw/zinc/65/43/30/569654330.db2.gz YQVPMUOMEAWRNQ-HNNXBMFYSA-N 1 1 470.961 1.801 50 0 JDAAMO Cc1noc(C)c1S(=O)(=O)N1CCC([C@@H](C)C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC000065061507 569655382 /nfs/dbraw/zinc/65/53/82/569655382.db2.gz ALVWIOPKXQSYJU-MRXNPFEDSA-N 1 1 455.625 1.082 50 0 JDAAMO COc1cc(CN2CCc3nc(N4CC[NH+](C)CC4)nc(N4CCOCC4)c3C2)cc(OC)c1 ZINC000034755434 569655688 /nfs/dbraw/zinc/65/56/88/569655688.db2.gz KZFYLEHAZUNRCH-UHFFFAOYSA-N 1 1 468.602 1.641 50 0 JDAAMO CC[NH+]1CCN(C(=O)CN2c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3C(C)(C)C2=O)CC1 ZINC000065314814 569672557 /nfs/dbraw/zinc/67/25/57/569672557.db2.gz VFBPMYPKIDIQJX-SFHVURJKSA-N 1 1 476.643 1.896 50 0 JDAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)[nH+]1 ZINC000065365647 569675454 /nfs/dbraw/zinc/67/54/54/569675454.db2.gz CCPSCSLRQUBATP-UHFFFAOYSA-N 1 1 472.615 1.988 50 0 JDAAMO CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC[C@H](C)[NH+]3C[C@@H](C)O[C@H](C)C3)c2c1 ZINC000065594760 569676341 /nfs/dbraw/zinc/67/63/41/569676341.db2.gz MVDDUEDJYQUFAW-GVDBMIGSSA-N 1 1 478.615 1.786 50 0 JDAAMO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000035264442 569679108 /nfs/dbraw/zinc/67/91/08/569679108.db2.gz VJNCTBUNWMXNSI-YADHBBJMSA-N 1 1 473.643 1.682 50 0 JDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)N[C@H](C)c4ccc(OC)cc4)c(=O)c3s2)CC1 ZINC000067239627 569681807 /nfs/dbraw/zinc/68/18/07/569681807.db2.gz JVJJFDYPBFBRCP-OAHLLOKOSA-N 1 1 456.572 1.881 50 0 JDAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@@H]([C@@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000035363865 569682636 /nfs/dbraw/zinc/68/26/36/569682636.db2.gz NUECCNYFQWXVIR-RMIXQUSFSA-N 1 1 453.926 1.992 50 0 biogenic JDAAMO CCOC(=O)C1C(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)=NC(=O)N[C@@H]1c1ccccc1OC ZINC000067287473 569684551 /nfs/dbraw/zinc/68/45/51/569684551.db2.gz XQYWFBBSRNZLKU-JOCHJYFZSA-N 1 1 499.612 1.672 50 0 JDAAMO Cn1cc(C(=O)N2CCC[N@@H+](C)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1 ZINC000067337209 569687749 /nfs/dbraw/zinc/68/77/49/569687749.db2.gz OINDLDLWOICQGR-UHFFFAOYSA-N 1 1 481.022 1.362 50 0 JDAAMO Cc1ccc(C)c(N2CCN(S(=O)(=O)c3nn(C)cc3C(=O)N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000067337435 569687876 /nfs/dbraw/zinc/68/78/76/569687876.db2.gz RFACPRUVTHLUGH-UHFFFAOYSA-N 1 1 488.658 1.714 50 0 JDAAMO CCn1cc(C(=O)N2CC[NH+](CC)CC2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338385 569688154 /nfs/dbraw/zinc/68/81/54/569688154.db2.gz IKXNUZZULCPHCL-UHFFFAOYSA-N 1 1 488.658 1.808 50 0 JDAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)[nH+]1 ZINC000067613594 569688735 /nfs/dbraw/zinc/68/87/35/569688735.db2.gz XGIACBAPCCOQQN-UHFFFAOYSA-N 1 1 458.588 1.598 50 0 JDAAMO C[C@@H]1CCCCN1CCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000035401463 569690836 /nfs/dbraw/zinc/69/08/36/569690836.db2.gz LSDXHEBWBNFYQO-QGZVFWFLSA-N 1 1 458.575 1.652 50 0 JDAAMO COc1cc(C(=O)N(CCC[NH+]2CCCCC2)CCC(=O)N2CCNCC2)cc(OC)c1OC ZINC000035422011 569692365 /nfs/dbraw/zinc/69/23/65/569692365.db2.gz UOQQOEIDCGWLPY-UHFFFAOYSA-N 1 1 476.618 1.853 50 0 JDAAMO COc1cc(C(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2CCCC[C@@H]2C)cc(OC)c1OC ZINC000035422047 569692544 /nfs/dbraw/zinc/69/25/44/569692544.db2.gz JNOVCAGGZQSRGG-IBGZPJMESA-N 1 1 476.618 1.851 50 0 JDAAMO COc1cc(C(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2CCCC[C@@H]2C)cc(OC)c1OC ZINC000035422047 569692546 /nfs/dbraw/zinc/69/25/46/569692546.db2.gz JNOVCAGGZQSRGG-IBGZPJMESA-N 1 1 476.618 1.851 50 0 JDAAMO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000071832928 569698800 /nfs/dbraw/zinc/69/88/00/569698800.db2.gz HFCUDACRNPYGEU-ACZWYYKOSA-N 1 1 468.620 1.792 50 0 JDAAMO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000071832928 569698801 /nfs/dbraw/zinc/69/88/01/569698801.db2.gz HFCUDACRNPYGEU-ACZWYYKOSA-N 1 1 468.620 1.792 50 0 JDAAMO CC1CCN(S(=O)(=O)c2ccc(-c3nnc(C(=O)NCCC[NH+]4CCN(C)CC4)o3)cc2)CC1 ZINC000035527867 569699573 /nfs/dbraw/zinc/69/95/73/569699573.db2.gz FBYGYOFJBRKYAW-UHFFFAOYSA-N 1 1 490.630 1.525 50 0 JDAAMO C[NH+]1CCN(c2cc(N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)ncn2)CC1 ZINC000072115925 569699689 /nfs/dbraw/zinc/69/96/89/569699689.db2.gz GWONCDGHWYGITL-UHFFFAOYSA-N 1 1 470.521 1.758 50 0 JDAAMO CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC[NH2+]CC4)ccc3OCC)nn12 ZINC000035643770 569705787 /nfs/dbraw/zinc/70/57/87/569705787.db2.gz OKUKNGDVADFTHE-UHFFFAOYSA-N 1 1 460.560 1.338 50 0 in-vitro JDAAMO Cc1[nH]c(C(=O)N2CCC[C@@H](C(=O)NCCC[NH+]3CCOCC3)C2)c(C)c1C(=O)OC(C)C ZINC000085621440 569711364 /nfs/dbraw/zinc/71/13/64/569711364.db2.gz NEVPSXFRWVLBPJ-LJQANCHMSA-N 1 1 462.591 1.887 50 0 JDAAMO O=C(C[N@H+]1CCN2c3ccccc3C[C@@H](C(=O)NCc3ccccc3F)[C@H]2C1)N1CCOCC1 ZINC000035870751 569718296 /nfs/dbraw/zinc/71/82/96/569718296.db2.gz NDCCKINNMNPUSD-ZJSXRUAMSA-N 1 1 466.557 1.664 50 0 JDAAMO O=C(C[N@@H+]1CCN2c3ccccc3C[C@@H](C(=O)NCc3ccccc3F)[C@H]2C1)N1CCOCC1 ZINC000035870751 569718297 /nfs/dbraw/zinc/71/82/97/569718297.db2.gz NDCCKINNMNPUSD-ZJSXRUAMSA-N 1 1 466.557 1.664 50 0 JDAAMO CN1C(=O)N(C)C(=O)C2(Cc3ccccc3N3CC[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]32)C1=O ZINC000035877154 569719901 /nfs/dbraw/zinc/71/99/01/569719901.db2.gz KYYNHGHVZPJXQA-NRFANRHFSA-N 1 1 462.506 1.699 50 0 JDAAMO CN1C(=O)N(C)C(=O)C2(Cc3ccccc3N3CC[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]32)C1=O ZINC000035877154 569719903 /nfs/dbraw/zinc/71/99/03/569719903.db2.gz KYYNHGHVZPJXQA-NRFANRHFSA-N 1 1 462.506 1.699 50 0 JDAAMO 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CC(C)CN1CCO[C@@H](CNC(=O)c2ccc(C(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)cc2)C1 ZINC000105139162 569852737 /nfs/dbraw/zinc/85/27/37/569852737.db2.gz AFZVDOCHYCRZHR-ZEQRLZLVSA-N 1 1 474.646 1.860 50 0 JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](C)O)[NH2+][C@@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000105376986 569852963 /nfs/dbraw/zinc/85/29/63/569852963.db2.gz HAZDICSIAPABTK-KXDKRWLWSA-N 1 1 469.925 1.958 50 0 biogenic JDAAMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000105378518 569852983 /nfs/dbraw/zinc/85/29/83/569852983.db2.gz SJIZLSKWOMRBFP-GRQPQKDCSA-N 1 1 455.898 1.650 50 0 biogenic JDAAMO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000105380888 569852992 /nfs/dbraw/zinc/85/29/92/569852992.db2.gz CPBSHRHZWWGOEB-YIOKGOHYSA-N 1 1 463.490 1.279 50 0 biogenic JDAAMO Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)NCC[N@H+]1CCc3ccccc3C1)O[C@@H](C)C(=O)N2 ZINC000106355042 569854113 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COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]1[C@H](C(=O)NCc1cccc(F)c1)C2 ZINC000230129933 570045370 /nfs/dbraw/zinc/04/53/70/570045370.db2.gz NNEALUWLKFKBNI-NOZRDPDXSA-N 1 1 496.583 1.672 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@H]1[C@H](C(=O)NCc1cccc(F)c1)C2 ZINC000230129933 570045371 /nfs/dbraw/zinc/04/53/71/570045371.db2.gz NNEALUWLKFKBNI-NOZRDPDXSA-N 1 1 496.583 1.672 50 0 JDAAMO CC(C)(C)OC[C@H](O)C[NH+]1CCN(C(=O)CN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000239808017 570052690 /nfs/dbraw/zinc/05/26/90/570052690.db2.gz KEPYEVLMQPDNHZ-GOSISDBHSA-N 1 1 453.539 1.756 50 0 JDAAMO Cc1cc(C)nc(-c2cccc3c2O[C@@H](CNC(=O)CC[N@@H+](C)[C@H]2CCS(=O)(=O)C2)C3)n1 ZINC000244659645 570054167 /nfs/dbraw/zinc/05/41/67/570054167.db2.gz HGIHBBMNHIHIOZ-RBUKOAKNSA-N 1 1 458.584 1.689 50 0 JDAAMO Cc1cc(C)nc(-c2cccc3c2O[C@@H](CNC(=O)CC[N@H+](C)[C@H]2CCS(=O)(=O)C2)C3)n1 ZINC000244659645 570054168 /nfs/dbraw/zinc/05/41/68/570054168.db2.gz HGIHBBMNHIHIOZ-RBUKOAKNSA-N 1 1 458.584 1.689 50 0 JDAAMO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccccc1)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000245253878 570059570 /nfs/dbraw/zinc/05/95/70/570059570.db2.gz IIMWOQANWNZMRW-KTIHBUSBSA-N 1 1 467.909 1.934 50 0 JDAAMO CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000245255709 570060110 /nfs/dbraw/zinc/06/01/10/570060110.db2.gz LCRVDUJYACBPFO-IYARVYRRSA-N 1 1 485.050 1.705 50 0 JDAAMO C[NH+]1CCN(C(=O)CNC(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000245255828 570060159 /nfs/dbraw/zinc/06/01/59/570060159.db2.gz LMLCTXXYOHUZOV-QAQDUYKDSA-N 1 1 471.023 1.315 50 0 JDAAMO CC[C@]12C=CC[N@H+]3CC[C@]4(c5ccc(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000245325192 570064085 /nfs/dbraw/zinc/06/40/85/570064085.db2.gz CXBGOBGJHGGWIE-OZCANKJTSA-N 1 1 456.539 1.641 50 0 JDAAMO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](O)c1ccc(Cl)cc1)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000247838948 570069907 /nfs/dbraw/zinc/06/99/07/570069907.db2.gz KEECINBCUAKNDE-ZNRYNLAGSA-N 1 1 455.898 1.440 50 0 JDAAMO CCN(CC)C(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](C)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000247939431 570071369 /nfs/dbraw/zinc/07/13/69/570071369.db2.gz FYPKLJZUFDBZSY-MNWGUIFGSA-N 1 1 474.561 1.890 50 0 JDAAMO CCOC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccccc1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000248121645 570074718 /nfs/dbraw/zinc/07/47/18/570074718.db2.gz SELFMECKQZVAPJ-BILGYAHESA-N 1 1 461.518 1.979 50 0 JDAAMO CC[C@]12C=CC[N@H+]3CC[C@]4(c5ccc(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@H]1OC(C)=O)[C@@H]32 ZINC000251974236 570079615 /nfs/dbraw/zinc/07/96/15/570079615.db2.gz CXBGOBGJHGGWIE-LLGHXGDHSA-N 1 1 456.539 1.641 50 0 JDAAMO NC(=O)C[C@H](c1cccnc1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000253414432 570098497 /nfs/dbraw/zinc/09/84/97/570098497.db2.gz XMFCRMUCPGWGBS-HHXXYDBFSA-N 1 1 462.506 1.529 50 0 biogenic JDAAMO NC(=O)C[C@H](c1cccnc1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000253414432 570098499 /nfs/dbraw/zinc/09/84/99/570098499.db2.gz XMFCRMUCPGWGBS-HHXXYDBFSA-N 1 1 462.506 1.529 50 0 biogenic JDAAMO C[N@H+](CCC(=O)N1CC(=O)N(Cc2ccccc2)C[C@@H](OCC2CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000299758187 570174372 /nfs/dbraw/zinc/17/43/72/570174372.db2.gz OVSZECCOBHWCHG-FCHUYYIVSA-N 1 1 477.627 1.162 50 0 JDAAMO C[N@@H+](CCC(=O)N1CC(=O)N(Cc2ccccc2)C[C@@H](OCC2CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000299758187 570174373 /nfs/dbraw/zinc/17/43/73/570174373.db2.gz OVSZECCOBHWCHG-FCHUYYIVSA-N 1 1 477.627 1.162 50 0 JDAAMO COCC[NH+]1CCN(C(=O)C[C@@]2(c3ccccc3)CC(=O)N(Cc3cccnc3)C2=O)CC1 ZINC000299765289 570175166 /nfs/dbraw/zinc/17/51/66/570175166.db2.gz DZGNDAZLEYGORI-VWLOTQADSA-N 1 1 450.539 1.459 50 0 JDAAMO COC(=O)c1ccc(C[N@H+]2CCc3c(C(=O)NCCCn4ccnc4)c(OC)cc(=O)n3CC2)cc1 ZINC000299795968 570177143 /nfs/dbraw/zinc/17/71/43/570177143.db2.gz NCFCXGZIBNYYPV-UHFFFAOYSA-N 1 1 493.564 1.718 50 0 JDAAMO COC(=O)c1ccc(C[N@@H+]2CCc3c(C(=O)NCCCn4ccnc4)c(OC)cc(=O)n3CC2)cc1 ZINC000299795968 570177145 /nfs/dbraw/zinc/17/71/45/570177145.db2.gz NCFCXGZIBNYYPV-UHFFFAOYSA-N 1 1 493.564 1.718 50 0 JDAAMO Cc1ccccc1-c1noc(CN2CCN(C(=O)NC[C@@H]([C@H]3CCOC3)[NH+]3CCOCC3)CC2)n1 ZINC000390832632 570185499 /nfs/dbraw/zinc/18/54/99/570185499.db2.gz JPCVLOJKHZJIAL-UNMCSNQZSA-N 1 1 484.601 1.610 50 0 JDAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C(N)=O)C1 ZINC000003007206 194202633 /nfs/dbraw/zinc/20/26/33/194202633.db2.gz XSOJEMWUNWBCHW-UHFFFAOYSA-N 1 1 492.623 1.887 50 0 JDAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C(N)=O)C1 ZINC000003007206 194202636 /nfs/dbraw/zinc/20/26/36/194202636.db2.gz XSOJEMWUNWBCHW-UHFFFAOYSA-N 1 1 492.623 1.887 50 0 JDAAMO CCc1ccccc1NC(=O)CN1CCN(C(=O)C2CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000009834847 194985521 /nfs/dbraw/zinc/98/55/21/194985521.db2.gz GYUPLQOTMBAZDA-OAQYLSRUSA-N 1 1 476.643 1.231 50 0 JDAAMO CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)CC2)cc1 ZINC000012601290 195046619 /nfs/dbraw/zinc/04/66/19/195046619.db2.gz SUNQFEAPQHSMLP-GGAORHGYSA-N 1 1 494.702 1.979 50 0 JDAAMO O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012683883 195085299 /nfs/dbraw/zinc/08/52/99/195085299.db2.gz FDJRFBMRNADSFY-QFIPXVFZSA-N 1 1 484.622 1.690 50 0 JDAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000012780898 195124561 /nfs/dbraw/zinc/12/45/61/195124561.db2.gz FRMKVOKKZXEFJW-WIYYLYMNSA-N 1 1 451.589 1.898 50 0 JDAAMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)[NH2+][C@]21c2cc(Cl)ccc2NC1=O ZINC000020611035 195184528 /nfs/dbraw/zinc/18/45/28/195184528.db2.gz QKFJHLVMRDNTRF-JYISGYRJSA-N 1 1 468.897 1.145 50 0 biogenic JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@]32c3cccc(Cl)c3NC2=O)cc1 ZINC000020611493 195185090 /nfs/dbraw/zinc/18/50/90/195185090.db2.gz WRKDYLMLFCNVHJ-XQNUDUSMSA-N 1 1 468.897 1.145 50 0 biogenic JDAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@]32c3cc(Cl)ccc3NC2=O)cc1 ZINC000020611539 195185250 /nfs/dbraw/zinc/18/52/50/195185250.db2.gz GTSCOLQJGCZSNV-SYSFZUQMSA-N 1 1 496.907 1.317 50 0 biogenic JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000020611671 195185609 /nfs/dbraw/zinc/18/56/09/195185609.db2.gz PMFKKVJEXDPCGE-NRGSMNHXSA-N 1 1 462.506 1.108 50 0 biogenic JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@]32c3ccc(Cl)c(C)c3NC2=O)cc1 ZINC000020611758 195185993 /nfs/dbraw/zinc/18/59/93/195185993.db2.gz BMDTUJQSZRATGT-NARGUJOISA-N 1 1 482.924 1.453 50 0 biogenic JDAAMO CN1CC[NH+](CCCNC(=O)CN2c3cc(C(=O)N4CCCC4)ccc3N3CCCC[C@H]3C2=O)CC1 ZINC000021942347 195339558 /nfs/dbraw/zinc/33/95/58/195339558.db2.gz YZNGRYXXCKUTKG-QHCPKHFHSA-N 1 1 496.656 1.382 50 0 JDAAMO Cn1c2ccccc2n(CC(=O)NCCC[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c(=O)c1=O ZINC000021943829 195340027 /nfs/dbraw/zinc/34/00/27/195340027.db2.gz GSEIMRFLFYDBQJ-SFHVURJKSA-N 1 1 470.595 1.949 50 0 JDAAMO CCn1cc(NC(=O)C2CC[NH+]([C@H](C)C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)CC2)cn1 ZINC000058157574 195367668 /nfs/dbraw/zinc/36/76/68/195367668.db2.gz RIKJOMAEDYEBQT-MRXNPFEDSA-N 1 1 476.603 1.831 50 0 JDAAMO CCn1c2c(nc(CCC(=O)NCCC[NH+]3CCOCC3)c1=O)c(C)nn2-c1ccccc1 ZINC000021641121 195319066 /nfs/dbraw/zinc/31/90/66/195319066.db2.gz NDPIDHDVPUCZPZ-UHFFFAOYSA-N 1 1 452.559 1.682 50 0 JDAAMO Cn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)CCC(=O)NCC[N@@H+](C)C1CCCCC1)C2 ZINC000064565476 195441229 /nfs/dbraw/zinc/44/12/29/195441229.db2.gz KDNGQOLBKVDRCA-UHFFFAOYSA-N 1 1 472.634 1.702 50 0 JDAAMO O=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000096307685 130057564 /nfs/dbraw/zinc/05/75/64/130057564.db2.gz RPHSKTOERCHJQU-UHFFFAOYSA-N 1 1 486.638 1.283 50 0 JDAAMO O=C1C[C@H](N2CC[NH+](CCO)CC2)C(=O)N1c1ccc(Br)cc1Br ZINC000102906359 130384223 /nfs/dbraw/zinc/38/42/23/130384223.db2.gz HBXAKHHHJOBTGD-AWEZNQCLSA-N 1 1 461.154 1.453 50 0 JDAAMO CC(C)Cc1ccc(S(=O)(=O)N(CCC[NH+]2CCCC2)CC(=O)N2CCNCC2)cc1 ZINC000045974733 519440988 /nfs/dbraw/zinc/44/09/88/519440988.db2.gz OYUUYNNBAHKWQJ-UHFFFAOYSA-N 1 1 450.649 1.794 50 0 JDAAMO CCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2cc(C)ccc2NC(C)=O)c1 ZINC000033034166 519892898 /nfs/dbraw/zinc/89/28/98/519892898.db2.gz JLFUBEQIRXDPKX-UHFFFAOYSA-N 1 1 459.572 1.914 50 0 JDAAMO CCCC[N@@H+](C)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 ZINC000008603725 520405742 /nfs/dbraw/zinc/40/57/42/520405742.db2.gz XOOMFNKBMNTCKI-MRXNPFEDSA-N 1 1 452.577 1.380 50 0 JDAAMO CCOC(=O)CNC(=O)c1cnn2c1n(CC)c1c(c2=O)C[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000064967786 520789798 /nfs/dbraw/zinc/78/97/98/520789798.db2.gz GDESSWPDHHAJSV-UHFFFAOYSA-N 1 1 467.526 1.376 50 0 JDAAMO CCOC(=O)CNC(=O)c1cnn2c1n(CC)c1c(c2=O)C[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000064967786 520789802 /nfs/dbraw/zinc/78/98/02/520789802.db2.gz GDESSWPDHHAJSV-UHFFFAOYSA-N 1 1 467.526 1.376 50 0 JDAAMO CCOc1ccccc1C[N@H+]1CCc2c(C(=O)OC)c(OC[C@H]3CC(=O)N(C)C3)cc(=O)n2CC1 ZINC000020454962 521486217 /nfs/dbraw/zinc/48/62/17/521486217.db2.gz HVTBROLNBOVXJM-SFHVURJKSA-N 1 1 483.565 1.949 50 0 JDAAMO CCOc1ccccc1C[N@@H+]1CCc2c(C(=O)OC)c(OC[C@H]3CC(=O)N(C)C3)cc(=O)n2CC1 ZINC000020454962 521486225 /nfs/dbraw/zinc/48/62/25/521486225.db2.gz HVTBROLNBOVXJM-SFHVURJKSA-N 1 1 483.565 1.949 50 0 JDAAMO CCOC(=O)c1cccc(NC(=O)Cn2cnc3nc(N4CC[NH+](CC)CC4)sc3c2=O)c1 ZINC000021886418 521539690 /nfs/dbraw/zinc/53/96/90/521539690.db2.gz DCUMMULBZYBUML-UHFFFAOYSA-N 1 1 470.555 1.810 50 0 JDAAMO CCN1CCC[C@@H]1CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cc(Cl)ccc1OC ZINC000045974512 521632901 /nfs/dbraw/zinc/63/29/01/521632901.db2.gz PDERDZLDLLMRNM-QGZVFWFLSA-N 1 1 459.012 1.255 50 0 JDAAMO CCN1CCC[C@@H]1CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000045974516 521633714 /nfs/dbraw/zinc/63/37/14/521633714.db2.gz WDINELULRMPZKN-OAQYLSRUSA-N 1 1 450.649 1.792 50 0 JDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CC1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)CC1 ZINC000065085659 521635075 /nfs/dbraw/zinc/63/50/75/521635075.db2.gz RGAWMFQKKKHUHF-OAQYLSRUSA-N 1 1 476.643 1.987 50 0 JDAAMO CC[N@H+]1CCC[C@H]1CN(CCS(=O)(=O)N1CCNCC1)C(=O)CCc1ccc(OC)cc1 ZINC000046140969 521653438 /nfs/dbraw/zinc/65/34/38/521653438.db2.gz IMTATSDEPGLPDU-NRFANRHFSA-N 1 1 466.648 1.176 50 0 JDAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccccc4)s3)C2)CC1 ZINC000033263437 521669296 /nfs/dbraw/zinc/66/92/96/521669296.db2.gz DPGMHQIEBBOYHQ-INIZCTEOSA-N 1 1 456.572 1.807 50 0 JDAAMO CCN1CC[NH+](CCCNC(=O)[C@H]2CCCN(c3nn4c(nc5c(c4=O)CCCC5)s3)C2)CC1 ZINC000021664021 521680761 /nfs/dbraw/zinc/68/07/61/521680761.db2.gz AECKSHSLSFXGAT-SFHVURJKSA-N 1 1 487.674 1.390 50 0 JDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)N4CCN(c5ccc(F)cc5)CC4)c(=O)c3s2)CC1 ZINC000021886478 521700878 /nfs/dbraw/zinc/70/08/78/521700878.db2.gz HATAGMZVGYLGKS-UHFFFAOYSA-N 1 1 485.589 1.483 50 0 JDAAMO CCCN1C(=O)c2cc(C(=O)NCCC[NH+]3CCOCC3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021877697 521702796 /nfs/dbraw/zinc/70/27/96/521702796.db2.gz QXWNSAHRSSOLOL-DEOSSOPVSA-N 1 1 474.606 1.019 50 0 JDAAMO COC(=O)c1c(OCCN2CCCC2=O)cc(=O)n2c1CC[N@H+](Cc1cccc3c1OCO3)CC2 ZINC000019840030 521778905 /nfs/dbraw/zinc/77/89/05/521778905.db2.gz KIYIMQDLDCGAJM-UHFFFAOYSA-N 1 1 483.521 1.423 50 0 JDAAMO COC(=O)c1c(OCCN2CCCC2=O)cc(=O)n2c1CC[N@@H+](Cc1cccc3c1OCO3)CC2 ZINC000019840030 521778914 /nfs/dbraw/zinc/77/89/14/521778914.db2.gz KIYIMQDLDCGAJM-UHFFFAOYSA-N 1 1 483.521 1.423 50 0 JDAAMO COC(=O)c1ccc(CN2CCc3nnc(CCNC(=O)[C@H]4CCC[N@H+](C)C4)n3CC2)cc1 ZINC000014878710 522016211 /nfs/dbraw/zinc/01/62/11/522016211.db2.gz DSPHGQPBJWJYIZ-FQEVSTJZSA-N 1 1 454.575 1.124 50 0 JDAAMO COC(=O)c1ccc(CN2CCc3nnc(CCNC(=O)[C@H]4CCC[N@@H+](C)C4)n3CC2)cc1 ZINC000014878710 522016217 /nfs/dbraw/zinc/01/62/17/522016217.db2.gz DSPHGQPBJWJYIZ-FQEVSTJZSA-N 1 1 454.575 1.124 50 0 JDAAMO COc1cc(C[N@H+]2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc2c1OCO2 ZINC000014889092 522399893 /nfs/dbraw/zinc/39/98/93/522399893.db2.gz VUCKBQJGNJQMFT-UHFFFAOYSA-N 1 1 450.499 1.441 50 0 JDAAMO COc1cc(C[N@@H+]2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc2c1OCO2 ZINC000014889092 522399904 /nfs/dbraw/zinc/39/99/04/522399904.db2.gz VUCKBQJGNJQMFT-UHFFFAOYSA-N 1 1 450.499 1.441 50 0 JDAAMO COCc1ccc(C(=O)NCc2nnc3n2CC[N@H+](Cc2cccc(OCCO)c2)CC3)o1 ZINC000014994239 522960908 /nfs/dbraw/zinc/96/09/08/522960908.db2.gz LXYQUNGMUIAFJP-UHFFFAOYSA-N 1 1 455.515 1.377 50 0 JDAAMO CCn1c(=O)c(-c2noc(C(=O)NCC[N@H+]3CCCC[C@H]3C)n2)nn(-c2ccc(F)cc2)c1=O ZINC000045946008 523099628 /nfs/dbraw/zinc/09/96/28/523099628.db2.gz KOYWVJCYKFPRMK-CQSZACIVSA-N 1 1 471.493 1.207 50 0 JDAAMO COc1ccc(-c2nnc3ccc(N4CCC(C(=O)NCCC[NH+]5CCOCC5)CC4)nn32)cc1 ZINC000033260038 523266389 /nfs/dbraw/zinc/26/63/89/523266389.db2.gz PGHYOIKIYSXQJL-UHFFFAOYSA-N 1 1 479.585 1.855 50 0 JDAAMO CCn1c2ccccc2n(CC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)c(=O)c1=O ZINC000033068492 523280914 /nfs/dbraw/zinc/28/09/14/523280914.db2.gz KTWNNKUZSPZHEY-UHFFFAOYSA-N 1 1 463.582 1.507 50 0 JDAAMO COC(=O)[C@@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@H+](Cc1ccc(C)o1)CC2 ZINC000014969614 523674378 /nfs/dbraw/zinc/67/43/78/523674378.db2.gz XOZBTCUJCIJICQ-IBGZPJMESA-N 1 1 457.527 1.984 50 0 JDAAMO COC(=O)[C@@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@@H+](Cc1ccc(C)o1)CC2 ZINC000014969614 523674392 /nfs/dbraw/zinc/67/43/92/523674392.db2.gz XOZBTCUJCIJICQ-IBGZPJMESA-N 1 1 457.527 1.984 50 0 JDAAMO CN1C(=O)c2cc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021874412 523727764 /nfs/dbraw/zinc/72/77/64/523727764.db2.gz NACYSNABTZYOLR-HHHXNRCGSA-N 1 1 492.624 1.964 50 0 JDAAMO CC[C@@]12C=CC[N@H+]3CC[C@@]4(c5ccc(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000013783878 523747827 /nfs/dbraw/zinc/74/78/27/523747827.db2.gz CXBGOBGJHGGWIE-GYYXJGOXSA-N 1 1 456.539 1.641 50 0 biogenic JDAAMO CCc1cc(N2CC[NH+](C)CC2)nc(SCc2ccc(C(=O)NCCN3CCOCC3)o2)n1 ZINC000036028548 523795107 /nfs/dbraw/zinc/79/51/07/523795107.db2.gz XTEZCGZVJIKFAD-UHFFFAOYSA-N 1 1 474.631 1.738 50 0 JDAAMO COCC[NH+]1CCN(C(=O)C[C@@]2(c3ccccc3C)CC(=O)N(Cc3ccncc3)C2=O)CC1 ZINC000014996871 523841428 /nfs/dbraw/zinc/84/14/28/523841428.db2.gz DXQTWXZOPSFZQQ-SANMLTNESA-N 1 1 464.566 1.768 50 0 JDAAMO COCC[NH+]1CCN(C(=O)C[C@]2(c3ccccc3C)CC(=O)N(Cc3ccncc3)C2=O)CC1 ZINC000014996874 523842727 /nfs/dbraw/zinc/84/27/27/523842727.db2.gz DXQTWXZOPSFZQQ-AREMUKBSSA-N 1 1 464.566 1.768 50 0 JDAAMO C[NH+]1CCN([C@H](CNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c2cccs2)CC1 ZINC000048324740 523920557 /nfs/dbraw/zinc/92/05/57/523920557.db2.gz SACNHRWNTBFGJQ-DVECYGJZSA-N 1 1 467.595 1.546 50 0 JDAAMO COCCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2cc(C)ccc2NC(C)=O)c1 ZINC000033034109 523924383 /nfs/dbraw/zinc/92/43/83/523924383.db2.gz LNINXKRCZQKBKF-UHFFFAOYSA-N 1 1 489.598 1.540 50 0 JDAAMO CCc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000045945293 524010625 /nfs/dbraw/zinc/01/06/25/524010625.db2.gz IAVXNLWUYUKFBV-FQEVSTJZSA-N 1 1 450.649 1.936 50 0 JDAAMO CCc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000045945293 524010626 /nfs/dbraw/zinc/01/06/26/524010626.db2.gz IAVXNLWUYUKFBV-FQEVSTJZSA-N 1 1 450.649 1.936 50 0 JDAAMO COc1ccc(C[N@H+]2C[C@@H](CN3CCOCC3)C[C@@H](C(=O)NC[C@H]3CCCO3)C2)cc1OC ZINC000014744604 524042188 /nfs/dbraw/zinc/04/21/88/524042188.db2.gz DVQKVQTWLVRJFW-YPAWHYETSA-N 1 1 461.603 1.769 50 0 JDAAMO C[C@@H]1CCCC[N@H+]1CCN(CCS(=O)(=O)N1CCNCC1)C(=O)c1ccc(Cl)cc1 ZINC000046141062 524108657 /nfs/dbraw/zinc/10/86/57/524108657.db2.gz IXJFGEXWQJDDDH-GOSISDBHSA-N 1 1 457.040 1.892 50 0 JDAAMO Cc1ccc(C)c(S(=O)(=O)N(CCC[NH+]2CCCCC2)CCC(=O)N2CCNCC2)c1 ZINC000045945107 524185682 /nfs/dbraw/zinc/18/56/82/524185682.db2.gz RGPMCZBTUJPOLK-UHFFFAOYSA-N 1 1 450.649 1.992 50 0 JDAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)C1 ZINC000033292394 524222847 /nfs/dbraw/zinc/22/28/47/524222847.db2.gz FJYXCOBLKXRWIK-QGZVFWFLSA-N 1 1 477.587 1.609 50 0 JDAAMO Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCN2CCCCC2)cc1C ZINC000045945335 524313196 /nfs/dbraw/zinc/31/31/96/524313196.db2.gz PTLAGGXBAATIFU-UHFFFAOYSA-N 1 1 450.649 1.910 50 0 JDAAMO COc1ccccc1C1=NS(=O)(=O)N(C)C(C(=O)N2CC[NH+](Cc3ccccc3)CC2)=C1 ZINC000021810168 524373223 /nfs/dbraw/zinc/37/32/23/524373223.db2.gz NBRBMAZWTVBQNS-UHFFFAOYSA-N 1 1 454.552 1.903 50 0 JDAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)Cn2c3ccccc3n(C)c(=O)c2=O)CC1 ZINC000033068452 524735381 /nfs/dbraw/zinc/73/53/81/524735381.db2.gz JYDHRMLVWHTSPA-UHFFFAOYSA-N 1 1 469.973 1.600 50 0 JDAAMO COc1ccc(OC)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCN2CCCCC2)c1 ZINC000045945309 524872344 /nfs/dbraw/zinc/87/23/44/524872344.db2.gz CHQCMNKFTWHCGR-UHFFFAOYSA-N 1 1 468.620 1.002 50 0 JDAAMO Cc1ccc(S(=O)(=O)N(CCC[NH+]2CCCCC2)CCC(=O)N2CCNCC2)cc1C ZINC000045945123 525511307 /nfs/dbraw/zinc/51/13/07/525511307.db2.gz WTWWGECUTZATCJ-UHFFFAOYSA-N 1 1 450.649 1.992 50 0 JDAAMO 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484.622 1.999 50 0 JDAAMO O=C(CCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020234766 555726815 /nfs/dbraw/zinc/72/68/15/555726815.db2.gz XXOSAKBUWUJOPX-UHFFFAOYSA-N 1 1 456.568 1.584 50 0 JDAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2ncc(Br)c(Br)c2=O)C1 ZINC000014189275 555728281 /nfs/dbraw/zinc/72/82/81/555728281.db2.gz WZNBXWSMCDKEHF-LLVKDONJSA-N 1 1 466.174 1.241 50 0 JDAAMO NC(=O)C[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)CC1 ZINC000014239547 555740790 /nfs/dbraw/zinc/74/07/90/555740790.db2.gz ORIRODNZJXBJCT-UHFFFAOYSA-N 1 1 456.568 1.508 50 0 JDAAMO O=C(NCCC[NH+]1CCOCC1)C1CCC(CNS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000020281637 555752217 /nfs/dbraw/zinc/75/22/17/555752217.db2.gz ZHSNSNIRXZRDAB-UHFFFAOYSA-N 1 1 481.644 1.615 50 0 JDAAMO Cn1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)NCC[N@@H+](C)Cc4ccccc4)C3)cc2oc1=O ZINC000020327443 555773985 /nfs/dbraw/zinc/77/39/85/555773985.db2.gz WZQMLRWFTCLNRY-IBGZPJMESA-N 1 1 486.594 1.780 50 0 JDAAMO CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CC[NH+](C)CC2)c2ccccc21 ZINC000020533262 555804589 /nfs/dbraw/zinc/80/45/89/555804589.db2.gz QJFDGPGVEUWARS-XLNRJJMWSA-N 1 1 495.605 1.841 50 0 JDAAMO COC(=O)c1ccc(C[N@@H+]2CCc3c(c(C(=O)N4CCNC(=O)C4)nn3Cc3ccccc3)C2)cc1 ZINC000014532365 555820280 /nfs/dbraw/zinc/82/02/80/555820280.db2.gz KDAYGCZGYJFEGR-UHFFFAOYSA-N 1 1 487.560 1.848 50 0 JDAAMO COC(=O)c1ccc(C[N@H+]2CCc3c(c(C(=O)N4CCNC(=O)C4)nn3Cc3ccccc3)C2)cc1 ZINC000014532365 555820284 /nfs/dbraw/zinc/82/02/84/555820284.db2.gz KDAYGCZGYJFEGR-UHFFFAOYSA-N 1 1 487.560 1.848 50 0 JDAAMO Cn1nc(C(=O)NCCC[NH+]2CCOCC2)c2c1CCN(C(=O)c1ccc3[nH]ccc3c1)C2 ZINC000014533854 555822326 /nfs/dbraw/zinc/82/23/26/555822326.db2.gz RZXZSPHVQTYAQG-UHFFFAOYSA-N 1 1 450.543 1.552 50 0 JDAAMO CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020582472 555835488 /nfs/dbraw/zinc/83/54/88/555835488.db2.gz ALVSMADQCQKXSI-UHFFFAOYSA-N 1 1 462.572 1.431 50 0 JDAAMO CCn1cc(C(=O)N[C@H](C(=O)NCCC[NH+]2CCOCC2)C(C)C)c(=O)c2cc3c(cc21)OCO3 ZINC000020590210 555837952 /nfs/dbraw/zinc/83/79/52/555837952.db2.gz XCBKRSOISFLSKT-QFIPXVFZSA-N 1 1 486.569 1.343 50 0 JDAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1nc(Cn2cc(Br)cn2)no1 ZINC000015082484 555873582 /nfs/dbraw/zinc/87/35/82/555873582.db2.gz XXOQKWPWWYXUPY-UHFFFAOYSA-N 1 1 461.320 1.839 50 0 JDAAMO Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000011997770 555879779 /nfs/dbraw/zinc/87/97/79/555879779.db2.gz YXOXSTYCYNFRBV-KRWDZBQOSA-N 1 1 467.569 1.770 50 0 JDAAMO COc1cc(OC)c(C[N@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)c(OC)c1 ZINC000012035905 555889198 /nfs/dbraw/zinc/88/91/98/555889198.db2.gz ICPBTIURSFBGRZ-FQEVSTJZSA-N 1 1 467.592 1.609 50 0 JDAAMO COc1cc(OC)c(C[N@@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)c(OC)c1 ZINC000012035905 555889199 /nfs/dbraw/zinc/88/91/99/555889199.db2.gz ICPBTIURSFBGRZ-FQEVSTJZSA-N 1 1 467.592 1.609 50 0 JDAAMO COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N4CC[NH+](C)CC4)cc1)N(C)CC3)OCO2 ZINC000015414745 555906097 /nfs/dbraw/zinc/90/60/97/555906097.db2.gz YCNZDDKPUKKUQJ-OAQYLSRUSA-N 1 1 491.552 1.365 50 0 biogenic JDAAMO COc1c2c(cc3c1[C@H](c1nnnn1-c1ccccc1C(=O)N1CC[NH+](C)CC1)N(C)CC3)OCO2 ZINC000015414927 555906493 /nfs/dbraw/zinc/90/64/93/555906493.db2.gz KJCFSLVPOBZZQK-OAQYLSRUSA-N 1 1 491.552 1.365 50 0 biogenic JDAAMO CCN(CC)C(=O)CSc1nnc(SCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)n1N ZINC000022281341 555917102 /nfs/dbraw/zinc/91/71/02/555917102.db2.gz LATDOFUKAZFZII-UHFFFAOYSA-N 1 1 499.707 1.196 50 0 JDAAMO Cc1cn2c(nc3c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n3C)n1CC[NH+]1CCOCC1 ZINC000022385905 555928569 /nfs/dbraw/zinc/92/85/69/555928569.db2.gz NVPPJSZTNPDJCN-UHFFFAOYSA-N 1 1 456.934 1.492 50 0 JDAAMO COc1cc(OC)c(OC)cc1CN1CCc2nnc([C@@H](C)NC(=O)C3CC[NH+](C)CC3)n2CC1 ZINC000012195248 555941319 /nfs/dbraw/zinc/94/13/19/555941319.db2.gz LTQKUESUQVLXFF-QGZVFWFLSA-N 1 1 486.617 1.881 50 0 JDAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000012376826 555964636 /nfs/dbraw/zinc/96/46/36/555964636.db2.gz PISFKGZLDCHTNG-UHFFFAOYSA-N 1 1 456.524 1.806 50 0 JDAAMO O=C(CSc1nc(=O)n(CCC[NH+]2CCOCC2)c2c1CCC2)Nc1ccc2c(c1)OCCO2 ZINC000022908957 555965942 /nfs/dbraw/zinc/96/59/42/555965942.db2.gz MICWOIUXDAVHIS-UHFFFAOYSA-N 1 1 486.594 1.956 50 0 JDAAMO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022917405 555971009 /nfs/dbraw/zinc/97/10/09/555971009.db2.gz ZKBBGEXBYXHXEQ-HXUWFJFHSA-N 1 1 472.611 1.852 50 0 JDAAMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)CC2)c(C)c1 ZINC000022917963 555972019 /nfs/dbraw/zinc/97/20/19/555972019.db2.gz UYRPSKQERWVSLZ-UHFFFAOYSA-N 1 1 470.639 1.954 50 0 JDAAMO O=C([C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015766539 555985865 /nfs/dbraw/zinc/98/58/65/555985865.db2.gz OBPUABJHFDRAFV-LJQANCHMSA-N 1 1 484.578 1.866 50 0 JDAAMO O=C(CN1CCN(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)Nc1ccc(F)cc1 ZINC000022934170 555986663 /nfs/dbraw/zinc/98/66/63/555986663.db2.gz MOFIHLXJDJXPIY-HSZRJFAPSA-N 1 1 453.562 1.773 50 0 JDAAMO CCN1CC[NH+](CCCNC(=O)C2CCN(c3nnc(N4CCCCC4=O)s3)CC2)CC1 ZINC000022937824 555990975 /nfs/dbraw/zinc/99/09/75/555990975.db2.gz TWURPWBJJOBMET-UHFFFAOYSA-N 1 1 463.652 1.415 50 0 JDAAMO NS(=O)(=O)c1ccc(NC(=O)CC[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000023005427 555999531 /nfs/dbraw/zinc/99/95/31/555999531.db2.gz SJCJRANPULFEOK-UHFFFAOYSA-N 1 1 450.948 1.774 50 0 JDAAMO C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000023257605 556036442 /nfs/dbraw/zinc/03/64/42/556036442.db2.gz VWTHGBUFLYDDEA-JOCHJYFZSA-N 1 1 486.638 1.605 50 0 JDAAMO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000023257608 556036458 /nfs/dbraw/zinc/03/64/58/556036458.db2.gz VWTHGBUFLYDDEA-QFIPXVFZSA-N 1 1 486.638 1.605 50 0 JDAAMO COc1ccccc1CN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccccc1 ZINC000015868803 556046823 /nfs/dbraw/zinc/04/68/23/556046823.db2.gz TVXBGQIQHCFBMV-UHFFFAOYSA-N 1 1 453.586 1.121 50 0 JDAAMO O=S(=O)(CCN(C1CCCC1)S(=O)(=O)c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000015868824 556046839 /nfs/dbraw/zinc/04/68/39/556046839.db2.gz IAUROQBERXJVIJ-UHFFFAOYSA-N 1 1 480.450 1.617 50 0 JDAAMO O=S(=O)(CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000015868917 556047082 /nfs/dbraw/zinc/04/70/82/556047082.db2.gz FNMPLIFJMSJGPX-UHFFFAOYSA-N 1 1 475.995 1.905 50 0 JDAAMO CN(CCC[NH+]1CCOCC1)C(=O)C[C@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O ZINC000023338153 556047147 /nfs/dbraw/zinc/04/71/47/556047147.db2.gz KNUMISIZOHLHAW-HHHXNRCGSA-N 1 1 478.593 1.892 50 0 JDAAMO CC[N@H+]1CCC[C@H]1CN(CCS(=O)(=O)N1CCNCC1)S(=O)(=O)c1ccc(C)cc1C ZINC000015868947 556047647 /nfs/dbraw/zinc/04/76/47/556047647.db2.gz XNWBFBHSZVQGPN-FQEVSTJZSA-N 1 1 472.677 1.013 50 0 JDAAMO CC[N@H+]1CCC[C@H]1CN(CCS(=O)(=O)N1CCNCC1)S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000015868945 556047678 /nfs/dbraw/zinc/04/76/78/556047678.db2.gz LJOFQSPIALGGIM-QFIPXVFZSA-N 1 1 498.715 1.275 50 0 JDAAMO Cc1ccc(C)c(S(=O)(=O)N(CC[N@@H+]2CCCC[C@@H]2C)CCS(=O)(=O)N2CCNCC2)c1 ZINC000015869004 556047909 /nfs/dbraw/zinc/04/79/09/556047909.db2.gz ZEYMEEHPJULIFY-NRFANRHFSA-N 1 1 486.704 1.404 50 0 JDAAMO O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(C(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000023508234 556075965 /nfs/dbraw/zinc/07/59/65/556075965.db2.gz ADBMWICRAZIBMJ-UHFFFAOYSA-N 1 1 481.471 1.897 50 0 JDAAMO CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)CC2=O)cc1 ZINC000023732391 556085955 /nfs/dbraw/zinc/08/59/55/556085955.db2.gz YJNPOTFIHSUYDT-FPOVZHCZSA-N 1 1 492.642 1.393 50 0 JDAAMO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)c2)CC1 ZINC000023762148 556087988 /nfs/dbraw/zinc/08/79/88/556087988.db2.gz NYUOLMAZTCIBKZ-UHFFFAOYSA-N 1 1 492.642 1.304 50 0 JDAAMO CN(CC(=O)N1CCOCC1)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023805849 556089000 /nfs/dbraw/zinc/08/90/00/556089000.db2.gz UDDPQAWZJPSBHQ-UHFFFAOYSA-N 1 1 450.583 1.711 50 0 JDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)[NH2+][C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000015957166 556089100 /nfs/dbraw/zinc/08/91/00/556089100.db2.gz RBPAMSGCBPOMDZ-KVUPCJHJSA-N 1 1 455.898 1.650 50 0 biogenic JDAAMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@@]21c2cc(Cl)ccc2NC1=O ZINC000015957654 556089546 /nfs/dbraw/zinc/08/95/46/556089546.db2.gz QKFJHLVMRDNTRF-HZNUMKHLSA-N 1 1 468.897 1.145 50 0 biogenic JDAAMO CCc1ccc2c(c1)[C@]1([NH2+][C@@H]([C@@H](C)O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000015959167 556090649 /nfs/dbraw/zinc/09/06/49/556090649.db2.gz JJMPDQAERXSDPT-RMLZHUDVSA-N 1 1 463.490 1.279 50 0 biogenic JDAAMO C[C@H](O)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000015959405 556091436 /nfs/dbraw/zinc/09/14/36/556091436.db2.gz XSTLMEBUFXOMLV-GZVLXINJSA-N 1 1 469.881 1.370 50 0 biogenic JDAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000023845367 556091477 /nfs/dbraw/zinc/09/14/77/556091477.db2.gz RXPOLELNPGNGJB-UHFFFAOYSA-N 1 1 459.568 1.779 50 0 JDAAMO Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000015959583 556091529 /nfs/dbraw/zinc/09/15/29/556091529.db2.gz YNIQIZNRUKXHJG-GGMMCWFTSA-N 1 1 496.907 1.173 50 0 biogenic JDAAMO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015968162 556094036 /nfs/dbraw/zinc/09/40/36/556094036.db2.gz CPBSHRHZWWGOEB-XMCMONBCSA-N 1 1 463.490 1.279 50 0 biogenic JDAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015967761 556094071 /nfs/dbraw/zinc/09/40/71/556094071.db2.gz IXDSTUKBLMMVOC-GGMMCWFTSA-N 1 1 496.907 1.173 50 0 biogenic JDAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015967759 556094188 /nfs/dbraw/zinc/09/41/88/556094188.db2.gz IXDSTUKBLMMVOC-HVXFUGBPSA-N 1 1 496.907 1.173 50 0 biogenic JDAAMO NC(=O)C[C@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015968248 556094469 /nfs/dbraw/zinc/09/44/69/556094469.db2.gz FOXOTUJWTVHLJC-SAQZZPNQSA-N 1 1 452.898 1.179 50 0 biogenic JDAAMO C[C@H](O)[C@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000015969309 556095273 /nfs/dbraw/zinc/09/52/73/556095273.db2.gz DZSFDEYHFSBIKV-GRJFADIBSA-N 1 1 469.881 1.370 50 0 biogenic JDAAMO COc1ccccc1-n1nnnc1SCC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023908053 556100034 /nfs/dbraw/zinc/10/00/34/556100034.db2.gz OVCRRZBVKOHEQL-UHFFFAOYSA-N 1 1 454.556 1.912 50 0 JDAAMO Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000016009781 556108632 /nfs/dbraw/zinc/10/86/32/556108632.db2.gz OQIFGHCCGGCTNG-XITLKHQFSA-N 1 1 452.898 1.444 50 0 JDAAMO NC(=O)C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@@H]21 ZINC000016011868 556110650 /nfs/dbraw/zinc/11/06/50/556110650.db2.gz VVTBSMYAGVVXCF-PBWVOLNLSA-N 1 1 473.316 1.789 50 0 JDAAMO NC(=O)C[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@@H]21 ZINC000016012639 556111372 /nfs/dbraw/zinc/11/13/72/556111372.db2.gz OQMFCUJHSQGUCN-KANGHSEISA-N 1 1 456.861 1.275 50 0 JDAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016013096 556112016 /nfs/dbraw/zinc/11/20/16/556112016.db2.gz SRVZEVYTLGSSDP-XQNUDUSMSA-N 1 1 470.888 1.584 50 0 JDAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016013099 556112023 /nfs/dbraw/zinc/11/20/23/556112023.db2.gz SRVZEVYTLGSSDP-SAQZZPNQSA-N 1 1 470.888 1.584 50 0 JDAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016013162 556112109 /nfs/dbraw/zinc/11/21/09/556112109.db2.gz LPKBYCXQBOYVBB-NARGUJOISA-N 1 1 466.925 1.753 50 0 JDAAMO NC(=O)C[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016022295 556115123 /nfs/dbraw/zinc/11/51/23/556115123.db2.gz NDQQAFYXYIQWJA-NZQNYPKQSA-N 1 1 497.349 1.288 50 0 JDAAMO C[C@H](O)[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016025001 556115776 /nfs/dbraw/zinc/11/57/76/556115776.db2.gz KMYUCEWSWQJKDB-NNYLJVSSSA-N 1 1 484.350 1.793 50 0 JDAAMO O=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012934026 556149971 /nfs/dbraw/zinc/14/99/71/556149971.db2.gz RYAMFLXQTVYPNJ-QHCPKHFHSA-N 1 1 456.612 1.525 50 0 JDAAMO O=C(CN1CCN(C(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)CC1)N1CCOCC1 ZINC000012985707 556179216 /nfs/dbraw/zinc/17/92/16/556179216.db2.gz SCMMSIWFAKYWIP-LJQANCHMSA-N 1 1 471.627 1.479 50 0 JDAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 ZINC000025139865 556180725 /nfs/dbraw/zinc/18/07/25/556180725.db2.gz FAILHCROPVIOQL-QFIPXVFZSA-N 1 1 478.659 1.938 50 0 JDAAMO Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCCC[NH+]2CCOCC2)c2ccco2)cc1 ZINC000017043092 556209741 /nfs/dbraw/zinc/20/97/41/556209741.db2.gz LPGGNJUZLGOSRE-HXUWFJFHSA-N 1 1 463.556 1.058 50 0 JDAAMO Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCOCC2)c2ccco2)cc1 ZINC000017043087 556209821 /nfs/dbraw/zinc/20/98/21/556209821.db2.gz LPGGNJUZLGOSRE-FQEVSTJZSA-N 1 1 463.556 1.058 50 0 JDAAMO COCCCN(C(=O)C[N@@H+]1CCc2ccccc2C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013038048 556234360 /nfs/dbraw/zinc/23/43/60/556234360.db2.gz UOORSFLMZXFYJO-UHFFFAOYSA-N 1 1 477.565 1.595 50 0 JDAAMO COCCCN(C(=O)C[N@H+]1CCc2ccccc2C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013038048 556234364 /nfs/dbraw/zinc/23/43/64/556234364.db2.gz UOORSFLMZXFYJO-UHFFFAOYSA-N 1 1 477.565 1.595 50 0 JDAAMO COc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H](C(C)C)[NH+]3CCOCC3)CC2)cc1 ZINC000026302223 556251738 /nfs/dbraw/zinc/25/17/38/556251738.db2.gz JGQXPRWIMFVCKG-HXUWFJFHSA-N 1 1 454.593 1.068 50 0 JDAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1[C@H]2C=C[C@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 ZINC000026690437 556259967 /nfs/dbraw/zinc/25/99/67/556259967.db2.gz HUGRUTFDHAQGMM-KWNHSTDBSA-N 1 1 464.566 1.331 50 0 JDAAMO COCC[NH+]1CCN(C(=O)C[C@@]2(c3ccccc3)CC(=O)N(CCCOc3cccnc3)C2=O)CC1 ZINC000019228532 556335992 /nfs/dbraw/zinc/33/59/92/556335992.db2.gz UCVHRGIZFDGFHP-MHZLTWQESA-N 1 1 494.592 1.728 50 0 JDAAMO NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCN(Cc3ccc(Cl)s3)CC2)cc1 ZINC000028883045 556343242 /nfs/dbraw/zinc/34/32/42/556343242.db2.gz NRYLBKLBWSAXAM-UHFFFAOYSA-N 1 1 471.048 1.916 50 0 JDAAMO COc1cc(OC)c(C[N@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c(OC)c1 ZINC000019742518 556365033 /nfs/dbraw/zinc/36/50/33/556365033.db2.gz FZYJMMQLQZNJSZ-SFHVURJKSA-N 1 1 459.547 1.200 50 0 JDAAMO COc1cc(OC)c(C[N@@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c(OC)c1 ZINC000019742518 556365037 /nfs/dbraw/zinc/36/50/37/556365037.db2.gz FZYJMMQLQZNJSZ-SFHVURJKSA-N 1 1 459.547 1.200 50 0 JDAAMO Cc1cc(C)nc(-c2cccc3c2O[C@H](CNC(=O)CC[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)C3)n1 ZINC000019745267 556366010 /nfs/dbraw/zinc/36/60/10/556366010.db2.gz HGIHBBMNHIHIOZ-MOPGFXCFSA-N 1 1 458.584 1.689 50 0 JDAAMO Cc1cc(C)nc(-c2cccc3c2O[C@H](CNC(=O)CC[N@H+](C)[C@@H]2CCS(=O)(=O)C2)C3)n1 ZINC000019745267 556366011 /nfs/dbraw/zinc/36/60/11/556366011.db2.gz HGIHBBMNHIHIOZ-MOPGFXCFSA-N 1 1 458.584 1.689 50 0 JDAAMO CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCc2ccc(F)cc2)cc1 ZINC000019797312 556375137 /nfs/dbraw/zinc/37/51/37/556375137.db2.gz MQLVNVSPSAKYSO-PMACEKPBSA-N 1 1 454.545 1.556 50 0 JDAAMO CC[C@]12CCC[N@H+]3CC[C@@]4(c5ccc(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000031495516 556397921 /nfs/dbraw/zinc/39/79/21/556397921.db2.gz ZMQCYQNIMQXFOW-ACSXSLCXSA-N 1 1 458.555 1.865 50 0 biogenic JDAAMO COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)CC2)cc1OC ZINC000032809840 556499593 /nfs/dbraw/zinc/49/95/93/556499593.db2.gz CNSNNOONJZEORL-FQEVSTJZSA-N 1 1 495.642 1.818 50 0 JDAAMO COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[N@@H+](C[C@H]4CCCO4)CC3)CC2)cc1OC ZINC000032809841 556499743 /nfs/dbraw/zinc/49/97/43/556499743.db2.gz CNSNNOONJZEORL-HXUWFJFHSA-N 1 1 495.642 1.818 50 0 JDAAMO Cn1c2nc(N3CC[NH+](Cc4ccc(F)cc4)CC3)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000054263564 569589586 /nfs/dbraw/zinc/58/95/86/569589586.db2.gz NISIFCKBMBDPJN-UHFFFAOYSA-N 1 1 462.529 1.943 50 0 JDAAMO CCOC(=O)C1=C(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000054979071 569590555 /nfs/dbraw/zinc/59/05/55/569590555.db2.gz PHISWAFWELKWFS-JOCHJYFZSA-N 1 1 486.594 1.954 50 0 JDAAMO CCOC(=O)C1=C(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000054979072 569590566 /nfs/dbraw/zinc/59/05/66/569590566.db2.gz PHISWAFWELKWFS-QFIPXVFZSA-N 1 1 486.594 1.954 50 0 JDAAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000056925370 569592439 /nfs/dbraw/zinc/59/24/39/569592439.db2.gz MZYGUHIZOCDLHD-IBGZPJMESA-N 1 1 465.554 1.685 50 0 JDAAMO COc1cc(C(=O)N2CCC(CC(=O)NCCC[NH+]3CCOCC3)CC2)cc(OC)c1OC ZINC000032974261 569605300 /nfs/dbraw/zinc/60/53/00/569605300.db2.gz DGUOYLDZTPJQEQ-UHFFFAOYSA-N 1 1 463.575 1.793 50 0 JDAAMO Cn1nc(C(=O)Nc2ccccc2)c2c1CCN(C(=O)CCC(=O)NCCC[NH+]1CCOCC1)C2 ZINC000064565622 569619106 /nfs/dbraw/zinc/61/91/06/569619106.db2.gz JBBMWXRQJHWLSY-UHFFFAOYSA-N 1 1 482.585 1.176 50 0 JDAAMO CC[NH+]1CCN(C(=O)C2CCN(C(=O)c3nnc(C(=O)Nc4ccc(F)cc4)s3)CC2)CC1 ZINC000033024476 569619871 /nfs/dbraw/zinc/61/98/71/569619871.db2.gz SCBWDWMBDVDOBA-UHFFFAOYSA-N 1 1 474.562 1.946 50 0 JDAAMO COc1cc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]c(C)n3)CC2)c(C)cc1C ZINC000033318425 569623074 /nfs/dbraw/zinc/62/30/74/569623074.db2.gz JYQBWESCCGRUFT-UHFFFAOYSA-N 1 1 461.588 1.758 50 0 JDAAMO CC[NH+]1CCN(C(=O)[C@H](C)NC(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)CC1 ZINC000034676308 569641426 /nfs/dbraw/zinc/64/14/26/569641426.db2.gz AMOJPDKWXFDGAN-SFHVURJKSA-N 1 1 452.559 1.212 50 0 JDAAMO O=C(Nc1ccc2c(c1)CCC2)c1coc(CN2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)n1 ZINC000034677248 569641699 /nfs/dbraw/zinc/64/16/99/569641699.db2.gz DSKFPTKYHJLKQR-QFIPXVFZSA-N 1 1 469.586 1.226 50 0 JDAAMO CC(C)(C)OC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3ccc4c(c3)OCO4)co2)CC1 ZINC000034677212 569641727 /nfs/dbraw/zinc/64/17/27/569641727.db2.gz IIXLAKVVCYUGBT-GOSISDBHSA-N 1 1 474.558 1.627 50 0 JDAAMO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3ccc4c(c3)OCO4)co2)CC1 ZINC000034677213 569641805 /nfs/dbraw/zinc/64/18/05/569641805.db2.gz IIXLAKVVCYUGBT-SFHVURJKSA-N 1 1 474.558 1.627 50 0 JDAAMO Cc1ccc(NC(=O)c2coc(CN3CC[NH+](C[C@@H](O)CN4CCOCC4)CC3)n2)cc1F ZINC000034677473 569642021 /nfs/dbraw/zinc/64/20/21/569642021.db2.gz LUIZYBVDQSOHQZ-LJQANCHMSA-N 1 1 461.538 1.185 50 0 JDAAMO CCOC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)N3CCN(c4ccccc4CC)CC3)co2)CC1 ZINC000034677804 569642142 /nfs/dbraw/zinc/64/21/42/569642142.db2.gz WXPHGJLKRMCLLQ-QFIPXVFZSA-N 1 1 485.629 1.714 50 0 JDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)CC1 ZINC000065022059 569648704 /nfs/dbraw/zinc/64/87/04/569648704.db2.gz GFLQEMQGKRHVML-MRXNPFEDSA-N 1 1 466.629 1.601 50 0 JDAAMO CC[NH+]1CCN(C(=O)CN2c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3CCCC2=O)CC1 ZINC000065078828 569659085 /nfs/dbraw/zinc/65/90/85/569659085.db2.gz BVPFRVCTEAETJH-UHFFFAOYSA-N 1 1 476.643 1.941 50 0 JDAAMO CC[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)CC1 ZINC000065085851 569660542 /nfs/dbraw/zinc/66/05/42/569660542.db2.gz OQOCDBPTBAKUFA-UHFFFAOYSA-N 1 1 450.561 1.086 50 0 JDAAMO O=C(NCCC[NH+]1CCOCC1)N1CCSc2nnc(COc3ccc4c(c3)OCO4)n21 ZINC000034830968 569664078 /nfs/dbraw/zinc/66/40/78/569664078.db2.gz KLWNKIWHDPZWGY-UHFFFAOYSA-N 1 1 462.532 1.061 50 0 JDAAMO CC1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000065314793 569672519 /nfs/dbraw/zinc/67/25/19/569672519.db2.gz PWCRQRJSWDRMEU-UHFFFAOYSA-N 1 1 462.616 1.505 50 0 JDAAMO Cn1cc(C[NH+]2CCN(C(=O)C3CCN(S(=O)(=O)N4CCCC4)CC3)CC2)c2ccccc21 ZINC000065330086 569674881 /nfs/dbraw/zinc/67/48/81/569674881.db2.gz ZFXLAUCPXUMNGU-UHFFFAOYSA-N 1 1 473.643 1.875 50 0 JDAAMO Cc1sc2ncn(CCC(=O)NCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)c2c1C ZINC000065594862 569676220 /nfs/dbraw/zinc/67/62/20/569676220.db2.gz IZETWKKLRXTDAU-UHFFFAOYSA-N 1 1 467.595 1.926 50 0 JDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)N4CCOc5ccc(C)cc54)c(=O)c3s2)CC1 ZINC000067225943 569681055 /nfs/dbraw/zinc/68/10/55/569681055.db2.gz JLTQWKHJYSXHBN-UHFFFAOYSA-N 1 1 454.556 1.729 50 0 JDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)NCc4ccc(OC)c(OC)c4)c(=O)c3s2)CC1 ZINC000067225972 569681060 /nfs/dbraw/zinc/68/10/60/569681060.db2.gz ZWCMUSRNRPPTDK-UHFFFAOYSA-N 1 1 472.571 1.329 50 0 JDAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[NH2+][C@@H]([C@@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000035363904 569682628 /nfs/dbraw/zinc/68/26/28/569682628.db2.gz RABFXJCHUUYKPR-YBNXSDARSA-N 1 1 453.926 1.992 50 0 biogenic JDAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000035363879 569682724 /nfs/dbraw/zinc/68/27/24/569682724.db2.gz MIOWLQZLZJKGOI-PZUGZIAASA-N 1 1 463.490 1.334 50 0 biogenic JDAAMO Cc1c2c(ccc1Cl)[C@]1([NH2+][C@@H]([C@@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000035363894 569682748 /nfs/dbraw/zinc/68/27/48/569682748.db2.gz GOLGTBLFHKRDDP-RMIXQUSFSA-N 1 1 453.926 1.992 50 0 biogenic JDAAMO Cc1cc2c(c(C)c1)NC(=O)[C@@]21[NH2+][C@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000035363899 569682758 /nfs/dbraw/zinc/68/27/58/569682758.db2.gz ZOBOOOFWKKFYKT-PZUGZIAASA-N 1 1 463.490 1.334 50 0 biogenic JDAAMO CCOC(=O)C1=C(C[NH+]2CCC(C(N)=O)CC2)NC(=O)N[C@H]1c1cccc(Br)c1 ZINC000067286179 569683711 /nfs/dbraw/zinc/68/37/11/569683711.db2.gz CHLTZWCQFHMSTI-KRWDZBQOSA-N 1 1 465.348 1.818 50 0 JDAAMO CCOC(=O)C1=C(CN2CCC[N@@H+](C)CC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1OC ZINC000067286497 569684094 /nfs/dbraw/zinc/68/40/94/569684094.db2.gz SQMRNJCVEJEIGR-IBGZPJMESA-N 1 1 462.547 1.521 50 0 JDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)C1 ZINC000035379170 569686441 /nfs/dbraw/zinc/68/64/41/569686441.db2.gz ZOIXDOYITCFWMV-RCCFBDPRSA-N 1 1 478.615 1.716 50 0 JDAAMO CC[C@H]1Oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)N4CC[NH+](C)CC4)C3)c(C)cc2NC1=O ZINC000035396633 569687372 /nfs/dbraw/zinc/68/73/72/569687372.db2.gz HNCWXEDMGLDJNI-FUHWJXTLSA-N 1 1 464.588 1.279 50 0 JDAAMO CCC[NH+]1CCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)CC1 ZINC000067337183 569687725 /nfs/dbraw/zinc/68/77/25/569687725.db2.gz DYCLSHNULZGCGL-UHFFFAOYSA-N 1 1 495.049 1.752 50 0 JDAAMO CCOc1ccccc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000067336939 569687791 /nfs/dbraw/zinc/68/77/91/569687791.db2.gz ONICZIBJKIVCAD-UHFFFAOYSA-N 1 1 490.630 1.107 50 0 JDAAMO CC(C)[NH+]1CCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000067337521 569687904 /nfs/dbraw/zinc/68/79/04/569687904.db2.gz FBKFQYFGLFYGOM-UHFFFAOYSA-N 1 1 495.049 1.751 50 0 JDAAMO CCOC(=O)C1C(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000067689605 569689761 /nfs/dbraw/zinc/68/97/61/569689761.db2.gz SITJXVMGCGQYRX-QFIPXVFZSA-N 1 1 499.612 1.672 50 0 JDAAMO C[C@@H]1C[C@@H](C)C[NH+](CCN(CCC(=O)N2CCNCC2)S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000035401579 569691008 /nfs/dbraw/zinc/69/10/08/569691008.db2.gz BCHLSWFQEPRKAU-QZTJIDSGSA-N 1 1 472.602 1.755 50 0 JDAAMO COc1cc(C(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2CCCC[C@H]2C)cc(OC)c1OC ZINC000035422046 569692609 /nfs/dbraw/zinc/69/26/09/569692609.db2.gz JNOVCAGGZQSRGG-LJQANCHMSA-N 1 1 476.618 1.851 50 0 JDAAMO COc1cc(C(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2CCCC[C@H]2C)cc(OC)c1OC ZINC000035422046 569692610 /nfs/dbraw/zinc/69/26/10/569692610.db2.gz JNOVCAGGZQSRGG-LJQANCHMSA-N 1 1 476.618 1.851 50 0 JDAAMO O=C(Cn1c2cccnc2n(Cc2ccccc2)c(=O)c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035449966 569696630 /nfs/dbraw/zinc/69/66/30/569696630.db2.gz YSLUFMGZXOUDRI-UHFFFAOYSA-N 1 1 469.545 1.951 50 0 JDAAMO Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)NCC[N@H+]1CCc3ccccc3C1)O[C@H](C)C(=O)N2 ZINC000035452983 569697245 /nfs/dbraw/zinc/69/72/45/569697245.db2.gz JVPSLLAEPSNGLK-QGZVFWFLSA-N 1 1 486.594 1.509 50 0 JDAAMO O=C(CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1)N1CC[NH2+]CC1 ZINC000035534533 569701438 /nfs/dbraw/zinc/70/14/38/569701438.db2.gz BTKJJODGEHLXDS-UHFFFAOYSA-N 1 1 456.612 1.774 50 0 JDAAMO O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000072437556 569704277 /nfs/dbraw/zinc/70/42/77/569704277.db2.gz JKFNHKJCXMQZIC-UHFFFAOYSA-N 1 1 457.478 1.843 50 0 JDAAMO O=C(C[N@H+]1CCN2c3ccc(C(F)(F)F)cc3C[C@H](C(=O)N3CCCC3)[C@@H]2C1)N1CCOCC1 ZINC000035908130 569723926 /nfs/dbraw/zinc/72/39/26/569723926.db2.gz IFZCCWLFQHDYEH-FPOVZHCZSA-N 1 1 480.531 1.850 50 0 JDAAMO O=C(C[N@@H+]1CCN2c3ccc(C(F)(F)F)cc3C[C@H](C(=O)N3CCCC3)[C@@H]2C1)N1CCOCC1 ZINC000035908130 569723927 /nfs/dbraw/zinc/72/39/27/569723927.db2.gz IFZCCWLFQHDYEH-FPOVZHCZSA-N 1 1 480.531 1.850 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@H](C(=O)NCc1ccc(F)cc1)C2 ZINC000035911175 569726351 /nfs/dbraw/zinc/72/63/51/569726351.db2.gz QHZFLWWMRMVZTK-ILBGXUMGSA-N 1 1 496.583 1.672 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@H](C(=O)NCc1ccc(F)cc1)C2 ZINC000035911175 569726352 /nfs/dbraw/zinc/72/63/52/569726352.db2.gz QHZFLWWMRMVZTK-ILBGXUMGSA-N 1 1 496.583 1.672 50 0 JDAAMO COc1cccc(C(=O)N2CCc3nc(N4CCOCC4)nc(N4CC[NH+](C)CC4)c3C2)c1 ZINC000095551115 569727520 /nfs/dbraw/zinc/72/75/20/569727520.db2.gz CFEJMNJFQYPCQH-UHFFFAOYSA-N 1 1 452.559 1.272 50 0 JDAAMO C[NH+]1CCN(c2nc(N3CCOCC3)nc3c2CN(S(=O)(=O)c2cccc(Cl)c2)CC3)CC1 ZINC000095920354 569729600 /nfs/dbraw/zinc/72/96/00/569729600.db2.gz XQTXXUHFQXPLGJ-UHFFFAOYSA-N 1 1 493.033 1.465 50 0 JDAAMO C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CN2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1=O ZINC000095958419 569731727 /nfs/dbraw/zinc/73/17/27/569731727.db2.gz YBIXQOILHAKOIT-RUZDIDTESA-N 1 1 464.522 1.893 50 0 JDAAMO COc1ccc(CN2C(=O)C[C@H]([NH+]3CCC(Nc4ccc(F)cc4)(C(N)=O)CC3)C2=O)cc1 ZINC000100211156 569755533 /nfs/dbraw/zinc/75/55/33/569755533.db2.gz JFSVKUJFHINTCE-FQEVSTJZSA-N 1 1 454.502 1.894 50 0 JDAAMO COc1ccccc1C(=O)N1CC[NH+]([C@@H](C(=O)N2CCN(C(C)=O)CC2)C2CCCC2)CC1 ZINC000036250392 569758327 /nfs/dbraw/zinc/75/83/27/569758327.db2.gz QTCHAKNWZAKLSX-HSZRJFAPSA-N 1 1 456.587 1.703 50 0 JDAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000036389644 569774460 /nfs/dbraw/zinc/77/44/60/569774460.db2.gz VOTPMINZICFLJI-QHCPKHFHSA-N 1 1 460.575 1.569 50 0 JDAAMO COc1ccc(-c2nc(N3CC[NH+](CCN4CCOCC4)CC3)nc3nn(C)c(N)c32)cc1OC ZINC000037358629 569783771 /nfs/dbraw/zinc/78/37/71/569783771.db2.gz AHLWPEJIOGBUGM-UHFFFAOYSA-N 1 1 482.589 1.084 50 0 JDAAMO O=C(C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)CC1)N1CCCC1 ZINC000040087838 569815755 /nfs/dbraw/zinc/81/57/55/569815755.db2.gz PJRKFCOEWJOVJH-QGZVFWFLSA-N 1 1 477.403 1.959 50 0 JDAAMO O=C(C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)CC1)N1CCCC1 ZINC000040087838 569815757 /nfs/dbraw/zinc/81/57/57/569815757.db2.gz PJRKFCOEWJOVJH-QGZVFWFLSA-N 1 1 477.403 1.959 50 0 JDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](C)O)[NH2+][C@@]32C(=O)Nc3ccccc32)cc1OC ZINC000105353214 569852838 /nfs/dbraw/zinc/85/28/38/569852838.db2.gz KLZCNRCJNIYBSI-KAUYFCOISA-N 1 1 465.506 1.048 50 0 JDAAMO CCc1ccc2c(c1)[C@]1([NH2+][C@@H]([C@H](C)O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000105379209 569852923 /nfs/dbraw/zinc/85/29/23/569852923.db2.gz JJMPDQAERXSDPT-PXLNBCAGSA-N 1 1 463.490 1.279 50 0 biogenic JDAAMO Cc1ccccc1S(=O)(=O)N(CCC(=O)N1CCNCC1)CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000105852013 569853516 /nfs/dbraw/zinc/85/35/16/569853516.db2.gz VVIYOPPPDUWUDA-WOJBJXKFSA-N 1 1 450.649 1.786 50 0 JDAAMO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000105851982 569853561 /nfs/dbraw/zinc/85/35/61/569853561.db2.gz AXIAISIXUGHTTL-NHCUHLMSSA-N 1 1 450.649 1.786 50 0 JDAAMO CC[C@@H]1Oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CC[NH+](CC)CC4)C3)c(C)cc2NC1=O ZINC000106304473 569853989 /nfs/dbraw/zinc/85/39/89/569853989.db2.gz NPBKFGGXANTQBQ-MJGOQNOKSA-N 1 1 478.615 1.669 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@@H](C(=O)Nc1ccccc1)C2 ZINC000169677460 569868682 /nfs/dbraw/zinc/86/86/82/569868682.db2.gz QSRLKPYFDVPYRQ-LADGPHEKSA-N 1 1 464.566 1.856 50 0 JDAAMO COc1ccc2c(c1)N1CC[N@H+](CC(=O)N3CCOCC3)C[C@@H]1[C@@H](C(=O)Nc1ccccc1)C2 ZINC000169677460 569868683 /nfs/dbraw/zinc/86/86/83/569868683.db2.gz QSRLKPYFDVPYRQ-LADGPHEKSA-N 1 1 464.566 1.856 50 0 JDAAMO CCOc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000169683717 569871179 /nfs/dbraw/zinc/87/11/79/569871179.db2.gz KEDNKVVGKOLJDL-NHCUHLMSSA-N 1 1 480.675 1.876 50 0 JDAAMO CC[C@H]1Oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CC[NH+](CC)CC4)C3)c(C)cc2NC1=O ZINC000169683960 569871294 /nfs/dbraw/zinc/87/12/94/569871294.db2.gz NPBKFGGXANTQBQ-IEBWSBKVSA-N 1 1 478.615 1.669 50 0 JDAAMO O=C(c1ccccc1)N(CCN1CCOCC1)C[C@H]1C[N@H+](C[C@H](O)Cc2ccccc2)CCO1 ZINC000230150492 570045892 /nfs/dbraw/zinc/04/58/92/570045892.db2.gz MPGCBOVYJCOEFL-CLJLJLNGSA-N 1 1 467.610 1.765 50 0 JDAAMO O=C(c1ccccc1)N(CCN1CCOCC1)C[C@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)CCO1 ZINC000230150492 570045893 /nfs/dbraw/zinc/04/58/93/570045893.db2.gz MPGCBOVYJCOEFL-CLJLJLNGSA-N 1 1 467.610 1.765 50 0 JDAAMO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccc(C)cc1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000245228017 570055385 /nfs/dbraw/zinc/05/53/85/570055385.db2.gz YJFZFCJZWKCSLL-BILGYAHESA-N 1 1 461.518 1.898 50 0 JDAAMO CCOc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000245238134 570057395 /nfs/dbraw/zinc/05/73/95/570057395.db2.gz WXVSQNALAQAMNH-HXUWFJFHSA-N 1 1 466.648 1.772 50 0 JDAAMO CCOc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2CCCC[C@H]2C)cc1 ZINC000245238134 570057396 /nfs/dbraw/zinc/05/73/96/570057396.db2.gz WXVSQNALAQAMNH-HXUWFJFHSA-N 1 1 466.648 1.772 50 0 JDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)C1 ZINC000245241255 570058417 /nfs/dbraw/zinc/05/84/17/570058417.db2.gz ZOIXDOYITCFWMV-OKZBNKHCSA-N 1 1 478.615 1.716 50 0 JDAAMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](CC(N)=O)[NH2+][C@@]3(c4ccccc4NC3=O)[C@H]2C1=O ZINC000245247166 570059287 /nfs/dbraw/zinc/05/92/87/570059287.db2.gz QUYBGSKJGHEJLJ-PLKIMXQSSA-N 1 1 454.870 1.149 50 0 JDAAMO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccccc1)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000245253877 570059611 /nfs/dbraw/zinc/05/96/11/570059611.db2.gz IIMWOQANWNZMRW-FIXDAVPBSA-N 1 1 467.909 1.934 50 0 JDAAMO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccccc1)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000247814881 570069673 /nfs/dbraw/zinc/06/96/73/570069673.db2.gz FRZXJZPCLKMHAP-ZSTWQFLISA-N 1 1 467.909 1.934 50 0 JDAAMO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](O)c1ccc(Cl)cc1)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000247838920 570069850 /nfs/dbraw/zinc/06/98/50/570069850.db2.gz KEECINBCUAKNDE-AUQMSGCKSA-N 1 1 455.898 1.440 50 0 JDAAMO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](O)c1ccc(Cl)cc1)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000247886387 570070576 /nfs/dbraw/zinc/07/05/76/570070576.db2.gz RWDBWHJLHHTLTG-MAEPKYQWSA-N 1 1 469.925 1.831 50 0 JDAAMO COCCCN1C(=O)[C@@H]2[C@H]([C@H](O)c3ccc(Cl)cc3)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000247886393 570070668 /nfs/dbraw/zinc/07/06/68/570070668.db2.gz RWDBWHJLHHTLTG-UXRROIJYSA-N 1 1 469.925 1.831 50 0 JDAAMO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000252445419 570080837 /nfs/dbraw/zinc/08/08/37/570080837.db2.gz UBYOSQJNZNZWJP-UZLBHIALSA-N 1 1 459.568 1.990 50 0 JDAAMO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000252445419 570080839 /nfs/dbraw/zinc/08/08/39/570080839.db2.gz UBYOSQJNZNZWJP-UZLBHIALSA-N 1 1 459.568 1.990 50 0 JDAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000252694563 570094808 /nfs/dbraw/zinc/09/48/08/570094808.db2.gz MIOWLQZLZJKGOI-PMZGDVKGSA-N 1 1 463.490 1.334 50 0 biogenic JDAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000252694562 570094852 /nfs/dbraw/zinc/09/48/52/570094852.db2.gz MIOWLQZLZJKGOI-FYNOMUEKSA-N 1 1 463.490 1.334 50 0 biogenic JDAAMO CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CCC(=O)NCCN2CCOCC2)CC1 ZINC000299797589 570177368 /nfs/dbraw/zinc/17/73/68/570177368.db2.gz OFRPGKTUWNRDOC-LOSJGSFVSA-N 1 1 457.663 1.353 50 0 JDAAMO CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CCC(=O)NCCN2CCOCC2)CC1 ZINC000299797589 570177370 /nfs/dbraw/zinc/17/73/70/570177370.db2.gz OFRPGKTUWNRDOC-LOSJGSFVSA-N 1 1 457.663 1.353 50 0 JDAAMO