smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)C2CCC2)CC1 ZINC000007842504 132325935 /nfs/dbraw/zinc/32/59/35/132325935.db2.gz FTGUVMRVNIWVNK-UHFFFAOYSA-N 1 1 422.551 1.198 50 0 HDAAMO CCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000045966772 520892383 /nfs/dbraw/zinc/89/23/83/520892383.db2.gz MMULUXNCMKFDLO-FQEVSTJZSA-N 1 1 416.566 1.834 50 0 HDAAMO CCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000045966772 520892389 /nfs/dbraw/zinc/89/23/89/520892389.db2.gz MMULUXNCMKFDLO-FQEVSTJZSA-N 1 1 416.566 1.834 50 0 HDAAMO CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](CC)CC3)C2)cc1C ZINC000019913555 521193555 /nfs/dbraw/zinc/19/35/55/521193555.db2.gz MRWKURYKDWVUQY-GOSISDBHSA-N 1 1 423.579 1.959 50 0 HDAAMO CCN1CCC[C@@H]1CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)cc1C ZINC000045974504 521633501 /nfs/dbraw/zinc/63/35/01/521633501.db2.gz NUUVWUZQODAZTF-LJQANCHMSA-N 1 1 422.595 1.210 50 0 HDAAMO CCN1CCC[C@H]1CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cc(C)ccc1C ZINC000045974502 521653478 /nfs/dbraw/zinc/65/34/78/521653478.db2.gz DZHSXBUURHGDIE-IBGZPJMESA-N 1 1 422.595 1.210 50 0 HDAAMO Cc1cc(Cl)ccc1N(CC(=O)NCCC[NH+]1CCOCC1)S(C)(=O)=O ZINC000020567935 524888079 /nfs/dbraw/zinc/88/80/79/524888079.db2.gz ZJCFOTMCYCRYHC-UHFFFAOYSA-N 1 1 403.932 1.253 50 0 HDAAMO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000020568023 525149787 /nfs/dbraw/zinc/14/97/87/525149787.db2.gz IWROVIHPOVCIQB-UHFFFAOYSA-N 1 1 423.457 1.310 50 0 HDAAMO Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CC[NH+](CCO)CC1)OC(C)(C)CC3 ZINC000020591927 525962078 /nfs/dbraw/zinc/96/20/78/525962078.db2.gz ZVKBVYCKURBIDG-UHFFFAOYSA-N 1 1 414.502 1.884 50 0 HDAAMO CCCN(CCC)C(=O)c1coc(CN2CC[NH+](C[C@@H](O)COC(C)C)CC2)n1 ZINC000034677635 557365656 /nfs/dbraw/zinc/36/56/56/557365656.db2.gz KPZXOQMQBCZKJE-GOSISDBHSA-N 1 1 410.559 1.840 50 0 HDAAMO CCOc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000004897704 557610976 /nfs/dbraw/zinc/61/09/76/557610976.db2.gz HKMSUFHQHIJFEW-QGZVFWFLSA-N 1 1 403.460 1.154 50 0 HDAAMO COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1cccc(C)n1)CC2 ZINC000019740364 558261075 /nfs/dbraw/zinc/26/10/75/558261075.db2.gz UCDXKWKUWOUENV-SFHVURJKSA-N 1 1 400.527 1.890 50 0 HDAAMO CC(C)CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1CCC(OCc2cccnc2)CC1 ZINC000011821956 558285166 /nfs/dbraw/zinc/28/51/66/558285166.db2.gz LGXPQSHNRGDBMY-HXUWFJFHSA-N 1 1 402.539 1.826 50 0 HDAAMO CC(C)CC[N@H+]1CCNC(=O)[C@H]1CC(=O)N1CCC(OCc2cccnc2)CC1 ZINC000011821956 558285167 /nfs/dbraw/zinc/28/51/67/558285167.db2.gz LGXPQSHNRGDBMY-HXUWFJFHSA-N 1 1 402.539 1.826 50 0 HDAAMO CS(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1F ZINC000019812776 558287118 /nfs/dbraw/zinc/28/71/18/558287118.db2.gz YIZHKGVHNWXFAE-UHFFFAOYSA-N 1 1 405.495 1.936 50 0 HDAAMO COCC(=O)N[C@H](c1nnc2n1CC[N@H+](Cc1cccc(OC)c1)CC2)C(C)C ZINC000011911229 558296930 /nfs/dbraw/zinc/29/69/30/558296930.db2.gz YUYXZUPJELXNRN-FQEVSTJZSA-N 1 1 401.511 1.805 50 0 HDAAMO CN(C)S(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000020029391 558323535 /nfs/dbraw/zinc/32/35/35/558323535.db2.gz HAMQYBVUEOSINR-UHFFFAOYSA-N 1 1 416.547 1.644 50 0 HDAAMO COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3C)C2)cc1 ZINC000012437418 558409280 /nfs/dbraw/zinc/40/92/80/558409280.db2.gz DFGFAYJYSHIDCH-KRWDZBQOSA-N 1 1 420.535 1.807 50 0 HDAAMO CCN1CCN(C[C@@H](O)COc2cccc(C[NH2+]CCn3nc(C)cc3C)c2)CC1 ZINC000020783804 558413537 /nfs/dbraw/zinc/41/35/37/558413537.db2.gz NQHPBQLKBHFGRF-JOCHJYFZSA-N 1 1 415.582 1.667 50 0 HDAAMO COCC(=O)N1CCC(Oc2ccc(C(=O)NC[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000020863258 558417821 /nfs/dbraw/zinc/41/78/21/558417821.db2.gz DYVLHQFAZUZEES-KRWDZBQOSA-N 1 1 403.523 1.774 50 0 HDAAMO O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021005343 558428492 /nfs/dbraw/zinc/42/84/92/558428492.db2.gz JRKDKGWLVXUOCQ-UHFFFAOYSA-N 1 1 413.499 1.566 50 0 HDAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C[C@H](C)O1 ZINC000021057939 558430686 /nfs/dbraw/zinc/43/06/86/558430686.db2.gz JWMPLOVUQWTHQW-GJZGRUSLSA-N 1 1 409.552 1.745 50 0 HDAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)CCn1cnnn1 ZINC000012709873 558451886 /nfs/dbraw/zinc/45/18/86/558451886.db2.gz GTWZSGLUITYHEI-LJQANCHMSA-N 1 1 400.527 1.875 50 0 HDAAMO O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000021936301 558456279 /nfs/dbraw/zinc/45/62/79/558456279.db2.gz HJMUPIFKESFLNK-UHFFFAOYSA-N 1 1 422.485 1.229 50 0 HDAAMO Cc1ccc(NC(=O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000013096101 558512995 /nfs/dbraw/zinc/51/29/95/558512995.db2.gz XNJSZQOFAPEPCX-IYBDPMFKSA-N 1 1 409.552 1.932 50 0 HDAAMO CCCCNC(=O)[C@@H]1C[C@H](CN2CCN(C)CC2)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000023352344 558550784 /nfs/dbraw/zinc/55/07/84/558550784.db2.gz FTXAGUPUAPHKOL-NHCUHLMSSA-N 1 1 402.583 1.994 50 0 HDAAMO CCCCNC(=O)[C@@H]1C[C@H](CN2CCN(C)CC2)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000023352344 558550788 /nfs/dbraw/zinc/55/07/88/558550788.db2.gz FTXAGUPUAPHKOL-NHCUHLMSSA-N 1 1 402.583 1.994 50 0 HDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1c2ccccc2N(Cc2ccccc2)C1=O ZINC000013625309 558550961 /nfs/dbraw/zinc/55/09/61/558550961.db2.gz VRCLJQBGOBULPA-GHTZIAJQSA-N 1 1 420.513 1.991 50 0 HDAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccccc1CN1C(=O)CNC1=O ZINC000023396743 558556699 /nfs/dbraw/zinc/55/66/99/558556699.db2.gz XCAGHFYWUXBXQH-UHFFFAOYSA-N 1 1 414.506 1.503 50 0 HDAAMO Cc1ccc(NC(=O)C[C@@H]2N=C(N3CC[NH+](Cc4ccccc4)CC3)NC2=O)cc1 ZINC000013692916 558574416 /nfs/dbraw/zinc/57/44/16/558574416.db2.gz YYAJAFZUGTUOCQ-FQEVSTJZSA-N 1 1 405.502 1.996 50 0 HDAAMO C[C@@H](CNC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1)[N@H+]1CCc2ccccc2C1 ZINC000024624414 558605516 /nfs/dbraw/zinc/60/55/16/558605516.db2.gz SWZALRGSXPRCME-IRXDYDNUSA-N 1 1 405.502 1.888 50 0 HDAAMO O=C(CN1CC[NH+](C[C@H](O)COc2cccc3ccccc32)CC1)N1CCOCC1 ZINC000025368357 558639162 /nfs/dbraw/zinc/63/91/62/558639162.db2.gz DXCVNNOOQKEMGO-FQEVSTJZSA-N 1 1 413.518 1.056 50 0 HDAAMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)CC1 ZINC000025514982 558642536 /nfs/dbraw/zinc/64/25/36/558642536.db2.gz GTSXHGBVZDKUFR-UHFFFAOYSA-N 1 1 423.564 1.256 50 0 HDAAMO O=C1N[C@@H](Cc2ccccc2)C(=O)N2CC[N@H+](Cc3ccc4ncccc4c3)C[C@H]12 ZINC000014754147 558671597 /nfs/dbraw/zinc/67/15/97/558671597.db2.gz QJRWMLIJTNANAW-FCHUYYIVSA-N 1 1 400.482 1.989 50 0 HDAAMO O=C1N[C@@H](Cc2ccccc2)C(=O)N2CC[N@@H+](Cc3ccc4ncccc4c3)C[C@H]12 ZINC000014754147 558671601 /nfs/dbraw/zinc/67/16/01/558671601.db2.gz QJRWMLIJTNANAW-FCHUYYIVSA-N 1 1 400.482 1.989 50 0 HDAAMO COc1ccc(CCc2nnc(CCC(=O)N(C)CCC[NH+]3CCOCC3)o2)cc1 ZINC000014947844 558680028 /nfs/dbraw/zinc/68/00/28/558680028.db2.gz QLUDJYWYXLVLOS-UHFFFAOYSA-N 1 1 416.522 1.977 50 0 HDAAMO COC(=O)C1CCN(C[C@@H](O)COc2ccc(C[NH2+]C3CCOCC3)cc2)CC1 ZINC000014956834 558682731 /nfs/dbraw/zinc/68/27/31/558682731.db2.gz CJAUIZPQWXTMEM-HXUWFJFHSA-N 1 1 406.523 1.580 50 0 HDAAMO COc1cccc(N2CCN(C(=O)C[C@@H]3C(=O)NCC[N@@H+]3CCC(C)C)CC2=O)c1 ZINC000014978691 558690245 /nfs/dbraw/zinc/69/02/45/558690245.db2.gz IPPGJYHTRGVXNG-LJQANCHMSA-N 1 1 416.522 1.107 50 0 HDAAMO CCOc1ccccc1C[N@@H+]1CCc2nnc([C@H](NS(C)(=O)=O)C(C)C)n2CC1 ZINC000014992007 558694844 /nfs/dbraw/zinc/69/48/44/558694844.db2.gz SXUGFUANLLCQMM-LJQANCHMSA-N 1 1 421.567 1.981 50 0 HDAAMO COC(=O)[C@@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@@H+](CC(C)C)CC2 ZINC000015003155 558698298 /nfs/dbraw/zinc/69/82/98/558698298.db2.gz CJZOOYHTEHGWIE-KRWDZBQOSA-N 1 1 419.522 1.539 50 0 HDAAMO COc1cc2c(cc1OC)C[N@@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CC2 ZINC000030673227 558735611 /nfs/dbraw/zinc/73/56/11/558735611.db2.gz CBLLFASPJMAGHB-UHFFFAOYSA-N 1 1 419.503 1.738 50 0 HDAAMO O=C(C[NH+]1CCC(NC(=O)c2ccccc2)CC1)N1CCN(c2ccccn2)CC1 ZINC000015554064 558743518 /nfs/dbraw/zinc/74/35/18/558743518.db2.gz RWHQQFJUXVFITR-UHFFFAOYSA-N 1 1 407.518 1.625 50 0 HDAAMO COc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000035422049 558791719 /nfs/dbraw/zinc/79/17/19/558791719.db2.gz AIGSOMFPTKTKBQ-IBGZPJMESA-N 1 1 416.566 1.834 50 0 HDAAMO COc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000035422049 558791722 /nfs/dbraw/zinc/79/17/22/558791722.db2.gz AIGSOMFPTKTKBQ-IBGZPJMESA-N 1 1 416.566 1.834 50 0 HDAAMO Cc1cc(C)c(S(=O)(=O)NCCNc2cc(N3CCOCC3)[nH+]c(C)n2)cc1C ZINC000038488312 558811570 /nfs/dbraw/zinc/81/15/70/558811570.db2.gz WVQPQBSLHHQNMT-UHFFFAOYSA-N 1 1 419.551 1.937 50 0 HDAAMO O=C([C@H]1CCC(=O)N(CCc2cccc(F)c2)C1)N1CC[NH+](CCCCO)CC1 ZINC000039551794 558822388 /nfs/dbraw/zinc/82/23/88/558822388.db2.gz KYHJUVNPDNOTDR-IBGZPJMESA-N 1 1 405.514 1.524 50 0 HDAAMO Cc1nnc(C(=O)Nc2ccc(C(=O)NCCC[NH+]3CCN(C)CC3)cc2)s1 ZINC000033011026 558830401 /nfs/dbraw/zinc/83/04/01/558830401.db2.gz GIAXYKGRZOTVLQ-UHFFFAOYSA-N 1 1 402.524 1.466 50 0 HDAAMO Cc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)[NH+](C)C)cc1 ZINC000060321532 558835896 /nfs/dbraw/zinc/83/58/96/558835896.db2.gz WVMACXDGRCMEHQ-IBGZPJMESA-N 1 1 402.520 1.767 50 0 HDAAMO Cc1ocnc1C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071714938 558907426 /nfs/dbraw/zinc/90/74/26/558907426.db2.gz ZOMNORAVVMOSFA-KRWDZBQOSA-N 1 1 403.527 1.074 50 0 HDAAMO O=C(NCc1nn[nH]n1)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071747041 558908263 /nfs/dbraw/zinc/90/82/63/558908263.db2.gz JVPQGTYZTBHUIL-AWEZNQCLSA-N 1 1 410.482 1.338 50 0 HDAAMO O=C(NCc1nn[nH]n1)[C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071747041 558908266 /nfs/dbraw/zinc/90/82/66/558908266.db2.gz JVPQGTYZTBHUIL-AWEZNQCLSA-N 1 1 410.482 1.338 50 0 HDAAMO O=C([C@H]1CCC[N@H+](C2CCN(S(=O)(=O)c3cccnc3)CC2)C1)N1CCCC1 ZINC000071746530 558908372 /nfs/dbraw/zinc/90/83/72/558908372.db2.gz HYLGUISYNLKTMI-KRWDZBQOSA-N 1 1 406.552 1.569 50 0 HDAAMO CN1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(C(=O)c4cscn4)CC3)C2)CC1 ZINC000071760933 558910146 /nfs/dbraw/zinc/91/01/46/558910146.db2.gz OCAPBKHWXBUIFX-MRXNPFEDSA-N 1 1 405.568 1.234 50 0 HDAAMO Nc1cc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)[nH]n1 ZINC000071774790 558911561 /nfs/dbraw/zinc/91/15/61/558911561.db2.gz YPWMDMFNUBKONH-SFHVURJKSA-N 1 1 424.549 1.667 50 0 HDAAMO CCn1nc(C(=O)N(CC(=O)N(C)C)C[C@H]2CCC[N@H+]2CC)c2ccccc2c1=O ZINC000058223628 558913234 /nfs/dbraw/zinc/91/32/34/558913234.db2.gz ATMSMPATCNXWDQ-MRXNPFEDSA-N 1 1 413.522 1.431 50 0 HDAAMO O=S(=O)(c1cc(F)ccc1F)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000072117392 558927281 /nfs/dbraw/zinc/92/72/81/558927281.db2.gz OHARNPSKWKYBQE-UHFFFAOYSA-N 1 1 409.462 1.866 50 0 HDAAMO O=S(=O)(c1cccc(Cl)c1)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000072117673 558927786 /nfs/dbraw/zinc/92/77/86/558927786.db2.gz WHBMEDIKGPMHPD-UHFFFAOYSA-N 1 1 423.926 1.478 50 0 HDAAMO CC[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)CC1 ZINC000072140556 558929336 /nfs/dbraw/zinc/92/93/36/558929336.db2.gz UFGZJMSSEPNIPM-UHFFFAOYSA-N 1 1 414.959 1.054 50 0 HDAAMO COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc1Cl ZINC000019589707 558940556 /nfs/dbraw/zinc/94/05/56/558940556.db2.gz UTWILEUCGMHGEU-UHFFFAOYSA-N 1 1 415.943 1.523 50 0 HDAAMO COc1ccc(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000019589731 558940583 /nfs/dbraw/zinc/94/05/83/558940583.db2.gz RUYMCAMASHYFCA-UHFFFAOYSA-N 1 1 421.494 1.804 50 0 HDAAMO COCCN1CCN(Cc2ccc(OC)c(OC[C@@H](O)C[NH+]3CCCCC3)c2)CC1 ZINC000019608549 558946561 /nfs/dbraw/zinc/94/65/61/558946561.db2.gz IPZZZGWZCCWGFV-NRFANRHFSA-N 1 1 421.582 1.685 50 0 HDAAMO COCCNC(=O)CN1CC[NH+](CCc2nc(-c3ccc4cc[nH]c4c3)no2)CC1 ZINC000072405756 558984757 /nfs/dbraw/zinc/98/47/57/558984757.db2.gz OHRQOKMPQFUACF-UHFFFAOYSA-N 1 1 412.494 1.141 50 0 HDAAMO COc1ccc(C(=O)N2CCN(c3cc(-n4ccnc4)nc(C)[nH+]3)CC2)cc1OC ZINC000067621970 558989908 /nfs/dbraw/zinc/98/99/08/558989908.db2.gz SWAGQOQCELCVTP-UHFFFAOYSA-N 1 1 408.462 1.950 50 0 HDAAMO Cc1[nH+]ccn1-c1cc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)ncn1 ZINC000067622878 558990029 /nfs/dbraw/zinc/99/00/29/558990029.db2.gz JMTVPXKHSQVTOV-UHFFFAOYSA-N 1 1 420.445 1.760 50 0 HDAAMO CCCCNC(=O)CN1CC[NH+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000096794825 558990941 /nfs/dbraw/zinc/99/09/41/558990941.db2.gz YVTDVXMSQYQOPS-IFMALSPDSA-N 1 1 403.567 1.975 50 0 HDAAMO COc1cc(N2CCC3(CN(CCC[N@@H+]4CC[C@@H](N(C)C)C4)C(=O)O3)CC2)ncn1 ZINC000077319849 559001220 /nfs/dbraw/zinc/00/12/20/559001220.db2.gz KKOUYPILHRJBQG-QGZVFWFLSA-N 1 1 418.542 1.302 50 0 HDAAMO COc1cc(N2CCC3(CN(CCC[N@H+]4CC[C@@H](N(C)C)C4)C(=O)O3)CC2)ncn1 ZINC000077319849 559001222 /nfs/dbraw/zinc/00/12/22/559001222.db2.gz KKOUYPILHRJBQG-QGZVFWFLSA-N 1 1 418.542 1.302 50 0 HDAAMO Cc1[nH+]ccn1CCN(C)C(=O)[C@H]1[C@H]2C(=O)N(Cc3cccnc3)C[C@@]23C=C[C@@H]1O3 ZINC000077539451 559008823 /nfs/dbraw/zinc/00/88/23/559008823.db2.gz OWSIWMYAVPMACC-WEMPKCCASA-N 1 1 407.474 1.027 50 0 HDAAMO O=S(=O)(c1ccccc1Cl)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000082230370 559042763 /nfs/dbraw/zinc/04/27/63/559042763.db2.gz 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ZINC000225707003 568666350 /nfs/dbraw/zinc/66/63/50/568666350.db2.gz SPTAYWSBOHWRCM-CALCHBBNSA-N 1 1 402.539 1.935 50 0 HDAAMO Cc1[nH+]ccn1CCCCN1C(=O)N[C@@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000095972811 568671791 /nfs/dbraw/zinc/67/17/91/568671791.db2.gz ABNOTLCGJCKOEC-IBGZPJMESA-N 1 1 404.492 1.842 50 0 HDAAMO C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1 ZINC000012599161 568869485 /nfs/dbraw/zinc/86/94/85/568869485.db2.gz SJPDRSFGWITYJG-UHFFFAOYSA-N 1 1 405.564 1.740 50 0 HDAAMO O=C(C[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1)N1CCCC1 ZINC000299798589 568876510 /nfs/dbraw/zinc/87/65/10/568876510.db2.gz SLLQBVLAXURNRB-FQEVSTJZSA-N 1 1 419.497 1.519 50 0 HDAAMO O=C(Cc1ccc2c(c1)OCO2)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670437229 568878318 /nfs/dbraw/zinc/87/83/18/568878318.db2.gz WSALSOSEVPPJSF-IMBKEICKSA-N 1 1 405.498 1.642 50 0 HDAAMO COc1ccc2[nH]c(CNC(=O)C3CC[NH+]([C@@H]4CCS(=O)(=O)C4)CC3)nc2c1 ZINC000670438864 568885105 /nfs/dbraw/zinc/88/51/05/568885105.db2.gz AGIYLPUUTXCMOZ-CQSZACIVSA-N 1 1 406.508 1.087 50 0 HDAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ccccc1-n1cnnc1 ZINC000670441528 568895204 /nfs/dbraw/zinc/89/52/04/568895204.db2.gz XKMSRQRJIPYTHB-IGSLEHJCSA-N 1 1 414.513 1.565 50 0 HDAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1nnc(N2CCCC2=O)s1 ZINC000015777264 568999753 /nfs/dbraw/zinc/99/97/53/568999753.db2.gz WIGPJIKUZYFLJV-UHFFFAOYSA-N 1 1 414.535 1.446 50 0 HDAAMO CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)N1CC[NH+](C)CC1 ZINC000085648569 569005514 /nfs/dbraw/zinc/00/55/14/569005514.db2.gz JDGZGJFNMJNPEF-UHFFFAOYSA-N 1 1 422.555 1.016 50 0 HDAAMO Cn1c(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCCCC1 ZINC000085878922 569009777 /nfs/dbraw/zinc/00/97/77/569009777.db2.gz RGBWMJSTQLDADF-MSOLQXFVSA-N 1 1 424.545 1.858 50 0 biogenic HDAAMO Cn1c(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCCCC1 ZINC000085878922 569009778 /nfs/dbraw/zinc/00/97/78/569009778.db2.gz RGBWMJSTQLDADF-MSOLQXFVSA-N 1 1 424.545 1.858 50 0 biogenic HDAAMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000012857849 569011279 /nfs/dbraw/zinc/01/12/79/569011279.db2.gz ZRQCMAUNFJPYGJ-UHFFFAOYSA-N 1 1 418.519 1.183 50 0 HDAAMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000012857849 569011280 /nfs/dbraw/zinc/01/12/80/569011280.db2.gz ZRQCMAUNFJPYGJ-UHFFFAOYSA-N 1 1 418.519 1.183 50 0 HDAAMO CN(C)C(=O)c1cc(NS(=O)(=O)c2ccccc2F)ccc1N1CC[NH2+]CC1 ZINC000015828244 569011814 /nfs/dbraw/zinc/01/18/14/569011814.db2.gz SSPVQEGRVXRYOD-UHFFFAOYSA-N 1 1 406.483 1.738 50 0 HDAAMO COC[C@@H](C)[NH+](Cc1cc(=O)n2ccccc2n1)Cc1cc(=O)n2ccccc2n1 ZINC000012889927 569019905 /nfs/dbraw/zinc/01/99/05/569019905.db2.gz WEBIUTRIQFJPJO-MRXNPFEDSA-N 1 1 405.458 1.740 50 0 HDAAMO COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000245254621 569055425 /nfs/dbraw/zinc/05/54/25/569055425.db2.gz BEIQBSSPDGBMLF-QAQDUYKDSA-N 1 1 409.552 1.554 50 0 HDAAMO COCC[N@H+](Cc1cccn1Cc1ccc(F)cc1)C[C@@H](O)CN1CCOCC1 ZINC000035840554 569062366 /nfs/dbraw/zinc/06/23/66/569062366.db2.gz LUNKQHGLKZHJAG-QFIPXVFZSA-N 1 1 405.514 1.817 50 0 HDAAMO COc1cccc(CN2CCC[C@]3(CC[N@@H+](CCC(=O)N(C)C)C3)C2=O)c1OC ZINC000426701545 569073880 /nfs/dbraw/zinc/07/38/80/569073880.db2.gz DCDPCEGQIUYGKB-JOCHJYFZSA-N 1 1 403.523 1.997 50 0 HDAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CN(C)c2nnc(N3CCCC3=O)s2)C1 ZINC000006798732 569125834 /nfs/dbraw/zinc/12/58/34/569125834.db2.gz OQPZTURIEZBWBU-GASCZTMLSA-N 1 1 408.572 1.585 50 0 HDAAMO Cn1c2sc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)cc2c(=O)n(C)c1=O ZINC000064950296 569129295 /nfs/dbraw/zinc/12/92/95/569129295.db2.gz XYVWOQVZMUGXNR-UHFFFAOYSA-N 1 1 400.504 1.551 50 0 HDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1 ZINC000065117640 569180573 /nfs/dbraw/zinc/18/05/73/569180573.db2.gz LUWFNGDDTQRYGU-AWEZNQCLSA-N 1 1 422.507 1.309 50 0 HDAAMO C[NH+]1CCN(C(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)CC1 ZINC000524734179 569213360 /nfs/dbraw/zinc/21/33/60/569213360.db2.gz FTZLGPFWEQVRSF-OAQYLSRUSA-N 1 1 404.470 1.966 50 0 HDAAMO CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)N2CC[NH+](C)CC2)CC3)CC1 ZINC000065273779 569214742 /nfs/dbraw/zinc/21/47/42/569214742.db2.gz AEGQWFDEUFGUBI-HNNXBMFYSA-N 1 1 405.568 1.081 50 0 HDAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000252383366 569285193 /nfs/dbraw/zinc/28/51/93/569285193.db2.gz OWTVRJFUUJRVCS-UHHQRRBQSA-N 1 1 405.882 1.548 50 0 HDAAMO CC[NH+]1CCN(C(=O)[C@H]2CC[C@H](CNC(=O)CNC(=O)c3ccccc3)CC2)CC1 ZINC000252430880 569285487 /nfs/dbraw/zinc/28/54/87/569285487.db2.gz PQLUAEQPHWFAQG-KESTWPANSA-N 1 1 414.550 1.503 50 0 HDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000252571274 569294463 /nfs/dbraw/zinc/29/44/63/569294463.db2.gz XQZGFVDQBHBXOC-HZPDHXFCSA-N 1 1 416.478 1.421 50 0 HDAAMO COCCOCC(=O)N1CCC2(CC1)C[C@@H](N1CC[NH+](CC(C)C)CC1)CCO2 ZINC000581819754 569320777 /nfs/dbraw/zinc/32/07/77/569320777.db2.gz IIBXFHXECMMHQK-FQEVSTJZSA-N 1 1 411.587 1.463 50 0 HDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@H]1NC(=O)N(CCc2ccc(OC)cc2)C1=O ZINC000253535037 569382795 /nfs/dbraw/zinc/38/27/95/569382795.db2.gz FDYKSRFLVHUALH-PKOBYXMFSA-N 1 1 416.522 1.743 50 0 HDAAMO O=S(=O)(c1ccc(F)cc1)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]CCc1cccs1 ZINC000013371495 569412835 /nfs/dbraw/zinc/41/28/35/569412835.db2.gz KNPLWKSIEHRWLB-HOTGVXAUSA-N 1 1 403.522 1.659 50 0 HDAAMO CCn1ccnc1CN1CC[N@H+](CCC(=O)Nc2sccc2C(N)=O)C[C@@H]1C ZINC000078787811 569420334 /nfs/dbraw/zinc/42/03/34/569420334.db2.gz VBAKNNODGVRKAE-AWEZNQCLSA-N 1 1 404.540 1.598 50 0 HDAAMO CCn1ccnc1CN1CC[N@@H+](CCC(=O)Nc2sccc2C(N)=O)C[C@@H]1C ZINC000078787811 569420335 /nfs/dbraw/zinc/42/03/35/569420335.db2.gz VBAKNNODGVRKAE-AWEZNQCLSA-N 1 1 404.540 1.598 50 0 HDAAMO CCN1CCN(C[C@@H](O)COc2cccc(C[NH2+]CCN3CCCCC3=O)c2)CC1 ZINC000019744806 569429444 /nfs/dbraw/zinc/42/94/44/569429444.db2.gz WYPISUMKDNEBMU-OAQYLSRUSA-N 1 1 418.582 1.166 50 0 HDAAMO O=C(NCCC[NH+]1CCOCC1)c1cn(Cc2ccccn2)c(=O)c2ccccc12 ZINC000079479234 569431624 /nfs/dbraw/zinc/43/16/24/569431624.db2.gz VTTKJCXTWJPBLJ-UHFFFAOYSA-N 1 1 406.486 1.897 50 0 HDAAMO CCOCCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(Cc2ccccc2C)c(=O)n1C ZINC000008706300 571103971 /nfs/dbraw/zinc/10/39/71/571103971.db2.gz BAXWPYGDIUITEO-UHFFFAOYSA-N 1 1 410.478 1.486 50 0 HDAAMO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2cnccn2)C1 ZINC000040149663 571196953 /nfs/dbraw/zinc/19/69/53/571196953.db2.gz CJVKEPXUFHSYSN-HOTGVXAUSA-N 1 1 422.489 1.891 50 0 HDAAMO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2cnccn2)C1 ZINC000040149663 571196956 /nfs/dbraw/zinc/19/69/56/571196956.db2.gz CJVKEPXUFHSYSN-HOTGVXAUSA-N 1 1 422.489 1.891 50 0 HDAAMO CC1=NN(CC[N@@H+](C)Cc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C ZINC000010108932 571295146 /nfs/dbraw/zinc/29/51/46/571295146.db2.gz WVQWXAFHYGFDFL-HNNXBMFYSA-N 1 1 409.494 1.323 50 0 HDAAMO Cc1cc(C)c(C(=O)N2CCC(CC(=O)NCCC[NH+]3CCN(C)CC3)CC2)[nH]1 ZINC000033024354 571315850 /nfs/dbraw/zinc/31/58/50/571315850.db2.gz NTWRAIGEPLSRSJ-UHFFFAOYSA-N 1 1 403.571 1.628 50 0 HDAAMO COc1cc(C[N@H+](C)Cc2cn(C)nc2C)ccc1OC[C@H](O)CN1CCOCC1 ZINC000012385529 1073552226 /nfs/dbraw/zinc/55/22/26/1073552226.db2.gz VKYRLZPZNNDLOZ-HXUWFJFHSA-N 1 1 418.538 1.441 50 0 HDAAMO COc1cc(C[N@@H+](C)Cc2cn(C)nc2C)ccc1OC[C@H](O)CN1CCOCC1 ZINC000012385529 1073552233 /nfs/dbraw/zinc/55/22/33/1073552233.db2.gz VKYRLZPZNNDLOZ-HXUWFJFHSA-N 1 1 418.538 1.441 50 0 HDAAMO CCc1ccc(S(=O)(=O)N(CCN(CC)CC)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000045974280 524011117 /nfs/dbraw/zinc/01/11/17/524011117.db2.gz KUPPTCWVFRUVLX-UHFFFAOYSA-N 1 1 410.584 1.013 50 0 HDAAMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)NC(=O)NCc1ccccc1 ZINC000032542338 526060588 /nfs/dbraw/zinc/06/05/88/526060588.db2.gz BFWJGCWLRXDNOS-AWEZNQCLSA-N 1 1 404.492 1.353 50 0 HDAAMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)NC(=O)NCc1ccccc1 ZINC000032542338 526060595 /nfs/dbraw/zinc/06/05/95/526060595.db2.gz BFWJGCWLRXDNOS-AWEZNQCLSA-N 1 1 404.492 1.353 50 0 HDAAMO C[C@H]1CCCC[N@@H+]1CCN(CCC(=O)N1CCNCC1)C(=O)c1cccc(F)c1 ZINC000045966915 526249679 /nfs/dbraw/zinc/24/96/79/526249679.db2.gz PTEQJJBOAFDMDM-SFHVURJKSA-N 1 1 404.530 1.964 50 0 HDAAMO C[C@H]1CCCC[N@H+]1CCN(CCC(=O)N1CCNCC1)C(=O)c1cccc(F)c1 ZINC000045966915 526249684 /nfs/dbraw/zinc/24/96/84/526249684.db2.gz PTEQJJBOAFDMDM-SFHVURJKSA-N 1 1 404.530 1.964 50 0 HDAAMO O[C@H]1C[N@H+](C2CCN(Cc3ccccc3)CC2)C[C@@H]1N1CCN(c2ccccn2)CC1 ZINC000020601753 526313558 /nfs/dbraw/zinc/31/35/58/526313558.db2.gz AAXCCHVPIXYONL-ZEQRLZLVSA-N 1 1 421.589 1.913 50 0 HDAAMO O[C@H]1CN(C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1N1CCN(c2ccccn2)CC1 ZINC000020601753 526313564 /nfs/dbraw/zinc/31/35/64/526313564.db2.gz AAXCCHVPIXYONL-ZEQRLZLVSA-N 1 1 421.589 1.913 50 0 HDAAMO O=C(CCNC1=NS(=O)(=O)c2ccccc21)NCC[N@H+]1CCc2ccccc2C1 ZINC000032017908 526510595 /nfs/dbraw/zinc/51/05/95/526510595.db2.gz ATVHWQZFFRWHMU-UHFFFAOYSA-N 1 1 412.515 1.290 50 0 HDAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 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/nfs/dbraw/zinc/42/45/41/569424541.db2.gz KWMWFPGTXAPGGL-UHFFFAOYSA-N 1 1 412.494 1.358 50 0 HDAAMO COC(=O)[C@@]1(NC(=O)Cn2c3ccccc3oc2=O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000079071290 569426859 /nfs/dbraw/zinc/42/68/59/569426859.db2.gz URDYZELQQXXOEK-HSZRJFAPSA-N 1 1 423.469 1.919 50 0 HDAAMO CCOC(=O)C1=C(CN2CCC[N@@H+](C)CC2)NC(=O)N[C@H]1c1ccc(F)c(F)c1 ZINC000067286124 571064575 /nfs/dbraw/zinc/06/45/75/571064575.db2.gz QHEJDAMIQQGUJP-SFHVURJKSA-N 1 1 408.449 1.773 50 0 HDAAMO CCOC(=O)C1=C(C[NH+]2CCCC2)NC(=O)N[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000067287356 571064950 /nfs/dbraw/zinc/06/49/50/571064950.db2.gz RHHPFBKVGYCZRR-LJQANCHMSA-N 1 1 419.478 1.979 50 0 HDAAMO COCCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(Cc2cc(C)ccc2C)c(=O)n1C ZINC000008725067 571107948 /nfs/dbraw/zinc/10/79/48/571107948.db2.gz ANILYURSDLIGGW-UHFFFAOYSA-N 1 1 410.478 1.404 50 0 HDAAMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)CNC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000040111554 571169785 /nfs/dbraw/zinc/16/97/85/571169785.db2.gz NHWMIFILKMVRTL-UHFFFAOYSA-N 1 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568922615 /nfs/dbraw/zinc/92/26/15/568922615.db2.gz HABPPXABIAVBTA-UHFFFAOYSA-N 1 1 412.494 1.011 50 0 HDAAMO Cc1cccc(NC(=O)C[N@H+](C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1C ZINC000031301285 568922616 /nfs/dbraw/zinc/92/26/16/568922616.db2.gz HABPPXABIAVBTA-UHFFFAOYSA-N 1 1 412.494 1.011 50 0 HDAAMO O=S(=O)(c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1)N1CCOCC1 ZINC000007980981 568963661 /nfs/dbraw/zinc/96/36/61/568963661.db2.gz LRERYWOEMZXQBH-SFHVURJKSA-N 1 1 402.520 1.789 50 0 HDAAMO COc1cccc(CNC(=O)CCc2nnc3ccc(N4CC[NH+](C)CC4)nn32)c1 ZINC000015678763 568966440 /nfs/dbraw/zinc/96/64/40/568966440.db2.gz UKAMVESBXZHSLF-UHFFFAOYSA-N 1 1 409.494 1.134 50 0 HDAAMO CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 ZINC000006084354 568996973 /nfs/dbraw/zinc/99/69/73/568996973.db2.gz KRULRTLKXHSXKV-CXAGYDPISA-N 1 1 422.507 1.324 50 0 HDAAMO C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CC1 ZINC000038583671 569002088 /nfs/dbraw/zinc/00/20/88/569002088.db2.gz 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50 0 HDAAMO O=C(NCC[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1c[nH]c(=O)c2ccccc12 ZINC000524729709 569051611 /nfs/dbraw/zinc/05/16/11/569051611.db2.gz FUXQPYBRHZAHIL-CVEARBPZSA-N 1 1 404.470 1.951 50 0 biogenic HDAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000030566836 569052112 /nfs/dbraw/zinc/05/21/12/569052112.db2.gz UNCQRGYYAHDXOS-HBUWYVDXSA-N 1 1 419.501 1.250 50 0 HDAAMO CCNC(=O)c1cc(NS(=O)(=O)c2cccc(OC)c2)cnc1N1CC[NH2+]CC1 ZINC000065025321 569156217 /nfs/dbraw/zinc/15/62/17/569156217.db2.gz BEQQNXVVMPPNJK-UHFFFAOYSA-N 1 1 419.507 1.050 50 0 HDAAMO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F)c1ccco1 ZINC000006859688 569157417 /nfs/dbraw/zinc/15/74/17/569157417.db2.gz YKIQIAFUUFKNJX-HOTGVXAUSA-N 1 1 409.483 1.991 50 0 HDAAMO CN1CCN(CCNC(=O)c2cccnc2N2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000065255860 569208106 /nfs/dbraw/zinc/20/81/06/569208106.db2.gz JWJSYHFKNAYQAF-NRFANRHFSA-N 1 1 408.550 1.210 50 0 HDAAMO C[C@H](C(=O)NCC[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)N1Cc2ccccc2C1=O ZINC000524731262 569212275 /nfs/dbraw/zinc/21/22/75/569212275.db2.gz QKOUNSHECBPHJA-LMMKCTJWSA-N 1 1 420.513 1.428 50 0 biogenic HDAAMO O=C(CCc1ccccc1Br)NCCCCN1CC[NH+](CCO)CC1 ZINC000089813884 569266419 /nfs/dbraw/zinc/26/64/19/569266419.db2.gz OMZRJWCNCGCMNA-UHFFFAOYSA-N 1 1 412.372 1.888 50 0 HDAAMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000252477496 569288540 /nfs/dbraw/zinc/28/85/40/569288540.db2.gz PIUQXFQOOQYOPA-ROUUACIJSA-N 1 1 422.551 1.798 50 0 HDAAMO COc1ccc([C@H](CC(N)=O)c2oc(C[NH+]3CCCCC3)cc(=O)c2O)cc1CO ZINC000253407510 569366064 /nfs/dbraw/zinc/36/60/64/569366064.db2.gz JXWGESFAPOXXGM-KRWDZBQOSA-N 1 1 416.474 1.840 50 0 biogenic HDAAMO Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1CN1CCN(C2CCOCC2)CC1 ZINC000079487930 569432260 /nfs/dbraw/zinc/43/22/60/569432260.db2.gz PWRJXTZNPWYFPM-UHFFFAOYSA-N 1 1 418.582 1.764 50 0 HDAAMO CCOC(=O)C1=C(CN2CCC[N@@H+](C)CC2)NC(=O)N[C@@H]1c1ccccc1OCC ZINC000067286861 571065068 /nfs/dbraw/zinc/06/50/68/571065068.db2.gz POROYHBWZCOTHH-HXUWFJFHSA-N 1 1 416.522 1.894 50 0 HDAAMO CCOC(=O)C1C(CN2CCC[N@H+](C)CC2)=NC(=O)N[C@@H]1c1ccccc1OCC ZINC000067286861 571065070 /nfs/dbraw/zinc/06/50/70/571065070.db2.gz POROYHBWZCOTHH-HXUWFJFHSA-N 1 1 416.522 1.894 50 0 HDAAMO CCOC(=O)C1C(CN2CCC[N@@H+](C)CC2)=NC(=O)N[C@@H]1c1ccccc1OCC ZINC000067286861 571065071 /nfs/dbraw/zinc/06/50/71/571065071.db2.gz POROYHBWZCOTHH-HXUWFJFHSA-N 1 1 416.522 1.894 50 0 HDAAMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@H]3CCCN(c4cnccn4)C3)cc2)CC1 ZINC000040111515 571169770 /nfs/dbraw/zinc/16/97/70/571169770.db2.gz DCVPNKYKSMMNOW-HXUWFJFHSA-N 1 1 422.533 1.397 50 0 HDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(c2nn3c(nc(C)cc3=O)s2)C1 ZINC000245276783 571222257 /nfs/dbraw/zinc/22/22/57/571222257.db2.gz WBTQCHLHWMXQJH-LSDHHAIUSA-N 1 1 404.540 1.276 50 0 HDAAMO Cc1nn(CC(=O)NCC[N@@H+]2CCCC[C@@H]2C)c(=O)c2cc(-c3ccccc3)nn21 ZINC000009727635 571282586 /nfs/dbraw/zinc/28/25/86/571282586.db2.gz TZARAMUWKHDPGC-INIZCTEOSA-N 1 1 408.506 1.857 50 0 HDAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1CCc1ccccc1)N1CCN(Cc2cccnc2)CC1 ZINC000012431194 1073942734 /nfs/dbraw/zinc/94/27/34/1073942734.db2.gz LVNGREPQHYCGGR-QFIPXVFZSA-N 1 1 421.545 1.159 50 0 HDAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1CCc1ccccc1)N1CCN(Cc2cccnc2)CC1 ZINC000012431194 1073942741 /nfs/dbraw/zinc/94/27/41/1073942741.db2.gz LVNGREPQHYCGGR-QFIPXVFZSA-N 1 1 421.545 1.159 50 0 HDAAMO CC(C)CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1cnn(-c2ccc(F)cc2)c1 ZINC000012432616 1073950455 /nfs/dbraw/zinc/95/04/55/1073950455.db2.gz IQYRXEZRIFZTKV-IBGZPJMESA-N 1 1 401.486 1.864 50 0 HDAAMO C[N@H+](CCC(=O)N1CCN(c2nc3ccccc3s2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000823668457 1076201824 /nfs/dbraw/zinc/20/18/24/1076201824.db2.gz RKOOQHFTKFTZQV-HNNXBMFYSA-N 1 1 422.576 1.454 50 0 HDAAMO C[N@@H+](CCC(=O)N1CCN(c2nc3ccccc3s2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000823668457 1076201829 /nfs/dbraw/zinc/20/18/29/1076201829.db2.gz RKOOQHFTKFTZQV-HNNXBMFYSA-N 1 1 422.576 1.454 50 0 HDAAMO CCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CC[NH+](CC)CC)cc1 ZINC000045966630 520891150 /nfs/dbraw/zinc/89/11/50/520891150.db2.gz TVTUCWASTJNUIX-UHFFFAOYSA-N 1 1 404.555 1.691 50 0 HDAAMO CCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000045966770 520892150 /nfs/dbraw/zinc/89/21/50/520892150.db2.gz MMULUXNCMKFDLO-HXUWFJFHSA-N 1 1 416.566 1.834 50 0 HDAAMO CCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000045966770 520892159 /nfs/dbraw/zinc/89/21/59/520892159.db2.gz MMULUXNCMKFDLO-HXUWFJFHSA-N 1 1 416.566 1.834 50 0 HDAAMO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000225771639 521698259 /nfs/dbraw/zinc/69/82/59/521698259.db2.gz DQVISVZOCKKQRM-IRXDYDNUSA-N 1 1 412.575 1.900 50 0 HDAAMO COc1cc(NC(=O)C(=O)NCCC[N@@H+](C)C(C)C)c(C(=O)N(C)C)cc1OC ZINC000041717348 522641083 /nfs/dbraw/zinc/64/10/83/522641083.db2.gz LOIJMOMSRQTWID-UHFFFAOYSA-N 1 1 408.499 1.191 50 0 HDAAMO Cc1ccccc1S(=O)(=O)N(CCC[NH+]1CCCCC1)CC(=O)N1CCNCC1 ZINC000045974721 525327625 /nfs/dbraw/zinc/32/76/25/525327625.db2.gz NYDHDHYNXCEMNJ-UHFFFAOYSA-N 1 1 422.595 1.294 50 0 HDAAMO CCOC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3ccccc3)co2)CC1 ZINC000034677079 557364095 /nfs/dbraw/zinc/36/40/95/557364095.db2.gz VTQLLLVGSDOOIC-SFHVURJKSA-N 1 1 402.495 1.120 50 0 HDAAMO CCOC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(OC)cc3)co2)CC1 ZINC000034678416 557366638 /nfs/dbraw/zinc/36/66/38/557366638.db2.gz OGZAIHKXCNFPKN-KRWDZBQOSA-N 1 1 418.494 1.451 50 0 HDAAMO CCOC(=O)Cc1c(C)nc2ncnn2c1N1CCN(C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000022644127 557491081 /nfs/dbraw/zinc/49/10/81/557491081.db2.gz HMPWOGVGDDCZIL-KRWDZBQOSA-N 1 1 415.542 1.002 50 0 HDAAMO COCCn1c(C)cc(O)c([C@H](c2ccc(F)cc2)N2CC[NH+](CCO)CC2)c1=O ZINC000022697729 557784342 /nfs/dbraw/zinc/78/43/42/557784342.db2.gz PSJCNFFLUVKJDI-NRFANRHFSA-N 1 1 419.497 1.347 50 0 HDAAMO Cn1cc(C[NH+]2CCN(Cc3nccn3C)CC2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000019744409 558264700 /nfs/dbraw/zinc/26/47/00/558264700.db2.gz GXDFSOCAIJGCHE-UHFFFAOYSA-N 1 1 408.506 1.910 50 0 HDAAMO CCn1nc(C)c(CNC(=O)[C@H]2CCC(=O)N(CCC[NH+]3CCOCC3)C2)c1C ZINC000019794882 558284341 /nfs/dbraw/zinc/28/43/41/558284341.db2.gz YMEAUIXKFJANDW-SFHVURJKSA-N 1 1 405.543 1.097 50 0 HDAAMO COc1ccc(C(=O)NC(=S)N2CC[NH+](C)CC2)cc1I ZINC000019860637 558297682 /nfs/dbraw/zinc/29/76/82/558297682.db2.gz AFCLYQOVFCZMMZ-UHFFFAOYSA-N 1 1 419.288 1.562 50 0 HDAAMO Cc1ccc(C(=O)NC(=S)N2CC[NH+](C)CC2)cc1I ZINC000019860654 558297690 /nfs/dbraw/zinc/29/76/90/558297690.db2.gz KCEDNIVUVDVFHZ-UHFFFAOYSA-N 1 1 403.289 1.862 50 0 HDAAMO COc1ccc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC000019933471 558311160 /nfs/dbraw/zinc/31/11/60/558311160.db2.gz YMZFTCICZFVCGC-UHFFFAOYSA-N 1 1 413.474 1.791 50 0 HDAAMO Nc1c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc2n1CC[NH+]1CCOCC1 ZINC000019939387 558313461 /nfs/dbraw/zinc/31/34/61/558313461.db2.gz VXGKHQYBSXAKCM-OAHLLOKOSA-N 1 1 424.505 1.408 50 0 HDAAMO O=C(C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1)N1CCNC(=O)C1 ZINC000012048871 558313600 /nfs/dbraw/zinc/31/36/00/558313600.db2.gz BMTCRXWSZOADEW-UHFFFAOYSA-N 1 1 412.578 1.754 50 0 HDAAMO O=C(C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1CCNC(=O)C1 ZINC000012048871 558313603 /nfs/dbraw/zinc/31/36/03/558313603.db2.gz BMTCRXWSZOADEW-UHFFFAOYSA-N 1 1 412.578 1.754 50 0 HDAAMO CCN(CC(=O)NCCC[NH+]1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020046370 558327353 /nfs/dbraw/zinc/32/73/53/558327353.db2.gz ZLHMUJRHROUILD-UHFFFAOYSA-N 1 1 403.932 1.189 50 0 HDAAMO O=C(c1cc[n+]([O-])cc1)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020363692 558358099 /nfs/dbraw/zinc/35/80/99/558358099.db2.gz DRDUCRNYONGJLN-FQEVSTJZSA-N 1 1 424.501 1.471 50 0 HDAAMO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCC[NH+]1CCOCC1 ZINC000020394434 558359552 /nfs/dbraw/zinc/35/95/52/558359552.db2.gz OBNYIRRMYSPNFM-UHFFFAOYSA-N 1 1 409.552 1.622 50 0 HDAAMO NC(=O)[C@@H]1CCCN(C(=O)c2coc(CN3CC[NH+](Cc4ccccc4)CC3)n2)C1 ZINC000020453552 558367386 /nfs/dbraw/zinc/36/73/86/558367386.db2.gz VSBXSABLQCEMBH-GOSISDBHSA-N 1 1 411.506 1.330 50 0 HDAAMO O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)NCCC[NH+]1CCOCC1 ZINC000020494243 558379672 /nfs/dbraw/zinc/37/96/72/558379672.db2.gz ALOUKGMAGCOAIC-UHFFFAOYSA-N 1 1 403.435 1.425 50 0 HDAAMO C[C@H]1CCc2sc3ncn4nc(C(=O)NCCC[NH+]5CCOCC5)nc4c3c2C1 ZINC000020503799 558381474 /nfs/dbraw/zinc/38/14/74/558381474.db2.gz DAJOSECAVMZZOI-ZDUSSCGKSA-N 1 1 414.535 1.916 50 0 HDAAMO O=C([C@@H]1CCCN(c2ncnc3nc[nH]c32)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020622144 558394103 /nfs/dbraw/zinc/39/41/03/558394103.db2.gz SWONAGQAWWTZRN-GOSISDBHSA-N 1 1 405.506 1.914 50 0 HDAAMO COc1cccc(/C=C2/SC(=O)N(CC(=O)N3CC[NH+](C)CC3)C2=O)c1OC ZINC000020649393 558397634 /nfs/dbraw/zinc/39/76/34/558397634.db2.gz NTBDHIHDUUGQPG-RVDMUPIBSA-N 1 1 405.476 1.514 50 0 HDAAMO COc1cccc(N2CCN(C(=O)c3cnc(N4CC[NH+](C)CC4)nc3C)CC2)c1 ZINC000021637919 558443972 /nfs/dbraw/zinc/44/39/72/558443972.db2.gz QJBNFDYARVLRNT-UHFFFAOYSA-N 1 1 410.522 1.508 50 0 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1.873 50 0 HDAAMO COc1ccc2[nH]c(CNC(=O)C3CC[NH+]([C@H]4CCS(=O)(=O)C4)CC3)cc2c1 ZINC000670441940 568897431 /nfs/dbraw/zinc/89/74/31/568897431.db2.gz CFYUYOBSEADHMB-KRWDZBQOSA-N 1 1 405.520 1.692 50 0 HDAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000084535897 568950522 /nfs/dbraw/zinc/95/05/22/568950522.db2.gz VYFFQAABBMFCSM-MRXNPFEDSA-N 1 1 405.458 1.424 50 0 HDAAMO COc1cc(C)c(C(C)C)cc1S(=O)(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000670463498 568956750 /nfs/dbraw/zinc/95/67/50/568956750.db2.gz UOODLGSIKKMXLR-MRXNPFEDSA-N 1 1 411.568 1.993 50 0 HDAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1cn(-c2ccccc2)nn1 ZINC000670467201 568973020 /nfs/dbraw/zinc/97/30/20/568973020.db2.gz LHAOJERQCWLALQ-IGSLEHJCSA-N 1 1 414.513 1.565 50 0 HDAAMO Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)CN3CC[NH+](C)CC3)s2)cc1 ZINC000035167457 569001594 /nfs/dbraw/zinc/00/15/94/569001594.db2.gz YEOPJUPWPYHZBN-UHFFFAOYSA-N 1 1 423.564 1.049 50 0 HDAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)ccn1 ZINC000053397215 569030516 /nfs/dbraw/zinc/03/05/16/569030516.db2.gz NIVZGORZAHZPNA-UHFFFAOYSA-N 1 1 418.457 1.957 50 0 HDAAMO CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)N1CC[NH+](CC)CC1)C(=O)CS2 ZINC000035481745 569039508 /nfs/dbraw/zinc/03/95/08/569039508.db2.gz YHNZWNPXTCHULR-UHFFFAOYSA-N 1 1 418.563 1.771 50 0 HDAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC2=NC(=O)N[C@H](c3ccccc3)C2C(=O)OC)C1 ZINC000226945533 569039968 /nfs/dbraw/zinc/03/99/68/569039968.db2.gz YIPPNBKDVYMHBP-CRAIPNDOSA-N 1 1 401.463 1.743 50 0 HDAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC2=NC(=O)N[C@H](c3ccccc3)C2C(=O)OC)C1 ZINC000226945533 569039969 /nfs/dbraw/zinc/03/99/69/569039969.db2.gz YIPPNBKDVYMHBP-CRAIPNDOSA-N 1 1 401.463 1.743 50 0 HDAAMO CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000229500267 569040540 /nfs/dbraw/zinc/04/05/40/569040540.db2.gz AEPMRHYULFQQRU-NQIIRXRSSA-N 1 1 400.523 1.688 50 0 HDAAMO COC(=O)c1cn(-c2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc2c(=O)[nH]nc1-2 ZINC000253398562 569051497 /nfs/dbraw/zinc/05/14/97/569051497.db2.gz CEVFNAPLQXKEFQ-UHFFFAOYSA-N 1 1 401.854 1.857 50 0 HDAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000030566825 569052104 /nfs/dbraw/zinc/05/21/04/569052104.db2.gz VGCUMYRUNBSLIG-RVKKMQEKSA-N 1 1 401.511 1.111 50 0 HDAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000030566825 569052105 /nfs/dbraw/zinc/05/21/05/569052105.db2.gz VGCUMYRUNBSLIG-RVKKMQEKSA-N 1 1 401.511 1.111 50 0 HDAAMO CC(=O)N1CCCN(c2nc(C[NH+]3CCN(c4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926530 569066408 /nfs/dbraw/zinc/06/64/08/569066408.db2.gz FWEQHRLFYNSRPS-UHFFFAOYSA-N 1 1 410.522 1.151 50 0 HDAAMO CCCCN1CCn2nc(CNC(=O)c3cn(C[C@@H]4CCC[NH2+]C4)nn3)cc2C1 ZINC000426369239 569072509 /nfs/dbraw/zinc/07/25/09/569072509.db2.gz NQTILLBKYGBJEO-MRXNPFEDSA-N 1 1 400.531 1.020 50 0 HDAAMO O=C(C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O)N1CCOCC1 ZINC000426656976 569073711 /nfs/dbraw/zinc/07/37/11/569073711.db2.gz PYSHAEZWNFEYPC-OAQYLSRUSA-N 1 1 407.461 1.638 50 0 HDAAMO COc1ccc(C[N@@H+](CCN2CCOCC2)C[C@H](O)COCC(C)C)cc1OC ZINC000036095575 569089803 /nfs/dbraw/zinc/08/98/03/569089803.db2.gz STBMEXQVWDEWHY-FQEVSTJZSA-N 1 1 410.555 1.872 50 0 HDAAMO CCn1c2c(C(=O)NCCOC)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835936 569104584 /nfs/dbraw/zinc/10/45/84/569104584.db2.gz SIZYCIQCCLXKGV-UHFFFAOYSA-N 1 1 409.490 1.450 50 0 HDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCN(c2nnc(N3CCCC3=O)s2)CC1 ZINC000006798641 569126597 /nfs/dbraw/zinc/12/65/97/569126597.db2.gz AFPGVYRIAKOOLS-OAHLLOKOSA-N 1 1 406.556 1.482 50 0 HDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1nnc(Cc2cc(OC)c(OC)c(OC)c2)o1 ZINC000006821587 569140692 /nfs/dbraw/zinc/14/06/92/569140692.db2.gz CSTQOAMSTZYDRY-AWEZNQCLSA-N 1 1 404.467 1.900 50 0 HDAAMO O=C([C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000169772835 569172024 /nfs/dbraw/zinc/17/20/24/569172024.db2.gz QOPSSOKORBTFTJ-SFHVURJKSA-N 1 1 418.501 1.698 50 0 HDAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)N3CCCC3)C2)C1 ZINC000006942876 569186995 /nfs/dbraw/zinc/18/69/95/569186995.db2.gz GAKHQIWEWWRFSS-CEXWTWQISA-N 1 1 414.616 1.523 50 0 HDAAMO C[N@H+]1CCCN(C(=O)[C@H]2CN(S(=O)(=O)c3cccnc3)CC23CCCCC3)CC1 ZINC000065259797 569210789 /nfs/dbraw/zinc/21/07/89/569210789.db2.gz VSFVESVWHUIYDQ-LJQANCHMSA-N 1 1 420.579 1.817 50 0 biogenic HDAAMO Cc1scc2nc(C(=O)NCCC[NH+]3CCOCC3)nc(N3CCOCC3)c12 ZINC000065283262 569216484 /nfs/dbraw/zinc/21/64/84/569216484.db2.gz ZMASTVMFXQZIAS-UHFFFAOYSA-N 1 1 405.524 1.288 50 0 HDAAMO O=C(Cn1c(=O)cnc2ccccc21)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000089834873 569266717 /nfs/dbraw/zinc/26/67/17/569266717.db2.gz ZGLWIVNOBGHCMG-OALUTQOASA-N 1 1 406.486 1.396 50 0 HDAAMO C[C@H](O)[C@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000252695308 569320374 /nfs/dbraw/zinc/32/03/74/569320374.db2.gz YANRSASOKFLTAR-ZJCVFDKYSA-N 1 1 405.454 1.031 50 0 biogenic HDAAMO COC[C@H](C)NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000253369354 569364732 /nfs/dbraw/zinc/36/47/32/569364732.db2.gz BKMDEKIWKFBFPQ-HOTGVXAUSA-N 1 1 414.547 1.023 50 0 HDAAMO COC[C@H](C)NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000253369354 569364734 /nfs/dbraw/zinc/36/47/34/569364734.db2.gz BKMDEKIWKFBFPQ-HOTGVXAUSA-N 1 1 414.547 1.023 50 0 HDAAMO CC1=[NH+]N(CCCO)c2nc3c(c(=O)n(C/C=C/c4ccccc4)c(=O)n3C)n2[C@@H]1C ZINC000008724544 569390099 /nfs/dbraw/zinc/39/00/99/569390099.db2.gz ZPBCNVLXQULORI-AYAUWGRQSA-N 1 1 422.489 1.749 50 0 HDAAMO CCN1CCN(C[C@H](O)COc2cccc(C[NH2+]CCN3CCCCC3=O)c2)CC1 ZINC000019744809 569429411 /nfs/dbraw/zinc/42/94/11/569429411.db2.gz WYPISUMKDNEBMU-NRFANRHFSA-N 1 1 418.582 1.166 50 0 HDAAMO COc1ccc(CC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000019797006 569430387 /nfs/dbraw/zinc/43/03/87/569430387.db2.gz KOZJJEZWQFIIBJ-PMACEKPBSA-N 1 1 423.556 1.775 50 0 HDAAMO COC(=O)C1=C(CN2CCC[N@@H+](C)CC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000067287760 571065729 /nfs/dbraw/zinc/06/57/29/571065729.db2.gz QTWHPKCUSCGRHL-IBGZPJMESA-N 1 1 418.494 1.122 50 0 HDAAMO COC(=O)C1C(CN2CCC[N@H+](C)CC2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000067287760 571065731 /nfs/dbraw/zinc/06/57/31/571065731.db2.gz QTWHPKCUSCGRHL-IBGZPJMESA-N 1 1 418.494 1.122 50 0 HDAAMO COC(=O)C1C(CN2CCC[N@@H+](C)CC2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000067287760 571065735 /nfs/dbraw/zinc/06/57/35/571065735.db2.gz QTWHPKCUSCGRHL-IBGZPJMESA-N 1 1 418.494 1.122 50 0 HDAAMO CCOCCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(Cc2cc(C)ccc2C)c(=O)n1C ZINC000008724923 571107934 /nfs/dbraw/zinc/10/79/34/571107934.db2.gz RIMNLARIZSTPFV-UHFFFAOYSA-N 1 1 424.505 1.794 50 0 HDAAMO Cn1ncc2c1ncn(CCC(=O)N1CCC[N@H+](Cc3ccc(F)cc3)CC1)c2=O ZINC000040086983 571157607 /nfs/dbraw/zinc/15/76/07/571157607.db2.gz DAWLHAZRPZGFRR-UHFFFAOYSA-N 1 1 412.469 1.394 50 0 HDAAMO Cn1ncc2c1ncn(CCC(=O)N1CCC[N@@H+](Cc3ccc(F)cc3)CC1)c2=O ZINC000040086983 571157608 /nfs/dbraw/zinc/15/76/08/571157608.db2.gz DAWLHAZRPZGFRR-UHFFFAOYSA-N 1 1 412.469 1.394 50 0 HDAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)CCC(=O)N2CCOCC2)CC1 ZINC000040107972 571167798 /nfs/dbraw/zinc/16/77/98/571167798.db2.gz IUFXOOPPVHZRAL-UHFFFAOYSA-N 1 1 402.539 1.079 50 0 HDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1ncn2nc(-c3ccc(OC)cc3)cc2c1=O ZINC000009727368 571282524 /nfs/dbraw/zinc/28/25/24/571282524.db2.gz UPGGNSMMMWOYFM-MRXNPFEDSA-N 1 1 410.478 1.167 50 0 HDAAMO CNc1cc[nH+]c(N2CC[C@]3(C2)CCCN(Cc2cccc(OC)c2OC)C3=O)n1 ZINC000426396343 571306003 /nfs/dbraw/zinc/30/60/03/571306003.db2.gz CWSFSWKZGWAXMU-QFIPXVFZSA-N 1 1 411.506 2.555 50 0 HDAAMO O[C@@H](COc1ccccc1C[NH2+]CCCN1CCOCC1)CN1CCSCC1 ZINC000012469902 1074174448 /nfs/dbraw/zinc/17/44/48/1074174448.db2.gz VEZUTIPMOXXPSX-HXUWFJFHSA-N 1 1 409.596 1.287 50 0 HDAAMO Cc1nonc1OCC[NH2+]Cc1ccccc1OC[C@H](O)CN1CCSCC1 ZINC000012571368 1075590403 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CC(C)(NC(=O)[C@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1)C(N)=O ZINC000091462133 559071740 /nfs/dbraw/zinc/07/17/40/559071740.db2.gz ZZCPIQZYDMVLJW-IBGZPJMESA-N 1 1 412.578 1.710 50 0 HDAAMO CC(C)(NC(=O)[C@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1)C(N)=O ZINC000091462133 559071741 /nfs/dbraw/zinc/07/17/41/559071741.db2.gz ZZCPIQZYDMVLJW-IBGZPJMESA-N 1 1 412.578 1.710 50 0 HDAAMO CN(C)C(=O)N1CC[C@]2(O)CC[N@@H+](Cc3cccc(N4CCOCC4)c3)C[C@@H]2C1 ZINC000095388063 559080721 /nfs/dbraw/zinc/08/07/21/559080721.db2.gz JYGRSLCRMQVXKG-DENIHFKCSA-N 1 1 402.539 1.464 50 0 HDAAMO COc1cc2c(cc1OC)[C@@H](c1c([O-])[nH]c(=O)n(-c3ccc(F)cc3)c1=O)[NH2+]CC2 ZINC000100749652 559262331 /nfs/dbraw/zinc/26/23/31/559262331.db2.gz VGWLYYHTTYRPGW-SFHVURJKSA-N 1 1 413.405 1.623 50 0 biogenic HDAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000017803728 560728670 /nfs/dbraw/zinc/72/86/70/560728670.db2.gz FDDOTCNYQCCFHC-LJQANCHMSA-N 1 1 423.579 1.560 50 0 HDAAMO CCOC(=O)N1CCC(Nc2c(=O)c(=O)c2NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000101445657 560795085 /nfs/dbraw/zinc/79/50/85/560795085.db2.gz QEFBETIVYPQOGU-UHFFFAOYSA-N 1 1 414.506 1.859 50 0 HDAAMO CCOC(=O)N1CCC(Nc2c(=O)c(=O)c2NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000101445657 560795086 /nfs/dbraw/zinc/79/50/86/560795086.db2.gz QEFBETIVYPQOGU-UHFFFAOYSA-N 1 1 414.506 1.859 50 0 HDAAMO CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000051137084 560812149 /nfs/dbraw/zinc/81/21/49/560812149.db2.gz HVNBZTSBIIKJCL-UHFFFAOYSA-N 1 1 402.520 1.807 50 0 HDAAMO CCOC(=O)c1c(C)n(CC)c(C)c1/C=C\C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000104232088 560849951 /nfs/dbraw/zinc/84/99/51/560849951.db2.gz BUPPLFGWRYWFBY-BVGULUMVSA-N 1 1 421.538 1.514 50 0 HDAAMO C[N@@H+]1CCN(C(=O)CNC(=O)c2cnc3ccccc3c2O)[C@@H](c2ccccc2)C1 ZINC000048286520 568436073 /nfs/dbraw/zinc/43/60/73/568436073.db2.gz FDLORISHAGHQQA-HXUWFJFHSA-N 1 1 404.470 1.773 50 0 HDAAMO C[N@H+]1CCN(C(=O)CNC(=O)c2cnc3ccccc3c2O)[C@@H](c2ccccc2)C1 ZINC000048286520 568436074 /nfs/dbraw/zinc/43/60/74/568436074.db2.gz FDLORISHAGHQQA-HXUWFJFHSA-N 1 1 404.470 1.773 50 0 HDAAMO COc1cccc(C[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)n2nnnc2C)c1 ZINC000048299597 568437050 /nfs/dbraw/zinc/43/70/50/568437050.db2.gz JFUSYYOXRSEDNA-WOJBJXKFSA-N 1 1 416.526 1.247 50 0 HDAAMO CN1C(=O)c2ccc(C(=O)N3CC[NH+](CCCOCC(F)(F)F)CC3)cc2C1=O ZINC000048300831 568437445 /nfs/dbraw/zinc/43/74/45/568437445.db2.gz AKFXJAAFDAISEX-UHFFFAOYSA-N 1 1 413.396 1.639 50 0 HDAAMO CCOCC[NH+]1CCN(c2cc(N3CC[N@H+](CCOCC)[C@@H](C)C3)ncn2)C[C@@H]1C ZINC000221967184 568512789 /nfs/dbraw/zinc/51/27/89/568512789.db2.gz CGPBELXXEAEBJR-PMACEKPBSA-N 1 1 420.602 1.571 50 0 HDAAMO CCOCCN1CCN(c2cc(N3CC[N@@H+](CCOCC)[C@@H](C)C3)ncn2)C[C@@H]1C ZINC000221967184 568512793 /nfs/dbraw/zinc/51/27/93/568512793.db2.gz CGPBELXXEAEBJR-PMACEKPBSA-N 1 1 420.602 1.571 50 0 HDAAMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1CC(=O)NCC(=O)N1CCCC1 ZINC000095432457 568609337 /nfs/dbraw/zinc/60/93/37/568609337.db2.gz AMEPHGOTLUELJB-NQIIRXRSSA-N 1 1 415.582 1.661 50 0 HDAAMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1CC(=O)NCC(=O)N1CCCC1 ZINC000095432457 568609338 /nfs/dbraw/zinc/60/93/38/568609338.db2.gz AMEPHGOTLUELJB-NQIIRXRSSA-N 1 1 415.582 1.661 50 0 HDAAMO CC[C@@H](C(=O)NCCC[NH+]1CCOCC1)n1c2ccccc2c2nc(=O)cc(C)n21 ZINC000020464954 568610206 /nfs/dbraw/zinc/61/02/06/568610206.db2.gz MLBLGXUQVBUGLK-SFHVURJKSA-N 1 1 411.506 1.747 50 0 HDAAMO Cc1cccc(N2CC[NH+](CCCNS(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000040086287 568619160 /nfs/dbraw/zinc/61/91/60/568619160.db2.gz GAAKNKVNQYRQQA-KDURUIRLSA-N 1 1 410.584 1.451 50 0 HDAAMO CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000020766235 568643161 /nfs/dbraw/zinc/64/31/61/568643161.db2.gz ZSUYHKDSUMYHCQ-IEBWSBKVSA-N 1 1 411.568 1.527 50 0 HDAAMO COc1ccc(OC)c([C@H]2CN(C(=O)C(C)C)C[C@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000096211842 568704662 /nfs/dbraw/zinc/70/46/62/568704662.db2.gz DLNNZMOMKRBIHR-RTBURBONSA-N 1 1 403.523 1.676 50 0 HDAAMO Cc1[nH]c2c3c(cccc3F)nn2c(=O)c1CCC(=O)NCCC[NH+]1CCOCC1 ZINC000096230963 568707172 /nfs/dbraw/zinc/70/71/72/568707172.db2.gz JUDYOCGHIJNBAL-UHFFFAOYSA-N 1 1 415.469 1.394 50 0 HDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)N(CCc2ccc(OC)cc2)C1=O ZINC000096231405 568707371 /nfs/dbraw/zinc/70/73/71/568707371.db2.gz FDYKSRFLVHUALH-MJGOQNOKSA-N 1 1 416.522 1.539 50 0 HDAAMO C[C@H](C1CC1)[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1 ZINC000031654072 568837361 /nfs/dbraw/zinc/83/73/61/568837361.db2.gz TUHSTPBPEUMTHD-OAHLLOKOSA-N 1 1 407.536 1.909 50 0 HDAAMO Cn1nccc1C[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299759547 568873096 /nfs/dbraw/zinc/87/30/96/568873096.db2.gz UNDLJSQZIKCJOB-FQEVSTJZSA-N 1 1 402.470 1.830 50 0 HDAAMO O=C(NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1n[nH]cc1Cl ZINC000299778922 568875015 /nfs/dbraw/zinc/87/50/15/568875015.db2.gz PDYUYWDGAKYJKU-OAHLLOKOSA-N 1 1 409.918 1.142 50 0 HDAAMO NC(=O)[C@@H]1CC(C(=O)N2CC[NH+](CCc3ccccc3)CC2)=NN1c1ccccc1 ZINC000012739223 568925699 /nfs/dbraw/zinc/92/56/99/568925699.db2.gz LLMTYCPTYIWITK-NRFANRHFSA-N 1 1 405.502 1.494 50 0 HDAAMO O=C(CN1CC[NH+]([C@@H]2CCOC2)CC1)Nc1cccc(I)c1 ZINC000084372771 568948029 /nfs/dbraw/zinc/94/80/29/568948029.db2.gz WRYSBYAJLJBGLJ-OAHLLOKOSA-N 1 1 415.275 1.636 50 0 HDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)N4CCc5ccccc54)c(=O)c3s2)CC1 ZINC000067225967 569004041 /nfs/dbraw/zinc/00/40/41/569004041.db2.gz OQGIRHXCKJVJHV-UHFFFAOYSA-N 1 1 424.530 1.584 50 0 HDAAMO O=C(NCc1ccc(N2CCCC2=O)cc1)C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000012904548 569021068 /nfs/dbraw/zinc/02/10/68/569021068.db2.gz NDGCZIBJMALJAB-LJQANCHMSA-N 1 1 419.547 1.329 50 0 HDAAMO C[N@H+]1CCN(CCNC(=O)CCS(=O)(=O)C2CCCC2)[C@@H](c2ccccc2)C1 ZINC000229751098 569040652 /nfs/dbraw/zinc/04/06/52/569040652.db2.gz CWCZLKCCSSCBCH-HXUWFJFHSA-N 1 1 407.580 1.839 50 0 HDAAMO CN(C[C@@H](O)C[NH+]1CCN(C)CC1)C(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC000089382668 569058783 /nfs/dbraw/zinc/05/87/83/569058783.db2.gz CNRODABAPHPXLP-MRXNPFEDSA-N 1 1 403.445 1.585 50 0 HDAAMO COc1ccc(-c2cc3c4nnc(CCC(=O)N5CC[NH+](C)CC5)n4ccn3n2)cc1 ZINC000064947047 569129221 /nfs/dbraw/zinc/12/92/21/569129221.db2.gz BZFXXTRSWHCCIG-UHFFFAOYSA-N 1 1 419.489 1.759 50 0 HDAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1 ZINC000065226804 569200137 /nfs/dbraw/zinc/20/01/37/569200137.db2.gz PAVSSHQIIYBMRX-GOSISDBHSA-N 1 1 416.570 1.520 50 0 HDAAMO O=C(NCC[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1cc(=O)[nH]c2ccccc21 ZINC000524732238 569212565 /nfs/dbraw/zinc/21/25/65/569212565.db2.gz RHRHYMPKYXTUPO-CVEARBPZSA-N 1 1 404.470 1.951 50 0 biogenic HDAAMO CC[NH+]1CCN(C(=O)C2CCN(c3cnn(Cc4ccccc4)c(=O)c3)CC2)CC1 ZINC000065311485 569221408 /nfs/dbraw/zinc/22/14/08/569221408.db2.gz AZROPWZPWZAWCU-UHFFFAOYSA-N 1 1 409.534 1.672 50 0 HDAAMO CC(=O)N1CCN(Cc2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)cc2)CC1 ZINC000170592316 569241087 /nfs/dbraw/zinc/24/10/87/569241087.db2.gz IUKIHJDWCQCRQR-QFIPXVFZSA-N 1 1 414.550 1.933 50 0 HDAAMO CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000014329285 569259542 /nfs/dbraw/zinc/25/95/42/569259542.db2.gz ZJIKRNVHZLVRGQ-AWEZNQCLSA-N 1 1 403.479 1.975 50 0 HDAAMO O=C(CC[C@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)NCCC[NH+]1CCOCC1 ZINC000252548583 569294038 /nfs/dbraw/zinc/29/40/38/569294038.db2.gz QDSXIIXCCNPYAV-QGZVFWFLSA-N 1 1 406.458 1.069 50 0 HDAAMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)CC1 ZINC000007650338 569298629 /nfs/dbraw/zinc/29/86/29/569298629.db2.gz DJXCPNSGXIUWCX-IBGZPJMESA-N 1 1 422.595 1.162 50 0 HDAAMO COc1ccc([C@@H](CC(N)=O)c2oc(C[NH+]3CCCCC3)cc(=O)c2O)cc1CO ZINC000253407514 569366081 /nfs/dbraw/zinc/36/60/81/569366081.db2.gz JXWGESFAPOXXGM-QGZVFWFLSA-N 1 1 416.474 1.840 50 0 biogenic HDAAMO COC(=O)c1ccc(NC(=O)CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000079477005 569431479 /nfs/dbraw/zinc/43/14/79/569431479.db2.gz MQTGGEHXUKQYPL-UHFFFAOYSA-N 1 1 410.474 1.939 50 0 HDAAMO O=C(C[N@H+]1CCC[C@H](O)C1)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O ZINC000039490632 571132399 /nfs/dbraw/zinc/13/23/99/571132399.db2.gz CFMSYRMVOGFJLD-FBKCMUNRSA-N 1 1 423.922 1.949 50 0 HDAAMO O=C(C[N@@H+]1CCC[C@H](O)C1)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O ZINC000039490632 571132404 /nfs/dbraw/zinc/13/24/04/571132404.db2.gz CFMSYRMVOGFJLD-FBKCMUNRSA-N 1 1 423.922 1.949 50 0 HDAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 ZINC000039996845 571137313 /nfs/dbraw/zinc/13/73/13/571137313.db2.gz QRUFYCMUISWHGS-UHFFFAOYSA-N 1 1 424.567 1.564 50 0 HDAAMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)nc3c2c(C)nn3C)CC1 ZINC000040118806 571175088 /nfs/dbraw/zinc/17/50/88/571175088.db2.gz VFRDZQMYQFDCPZ-UHFFFAOYSA-N 1 1 400.527 1.601 50 0 HDAAMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cc(C)nc3c2c(C)nn3C)CC1 ZINC000040118806 571175090 /nfs/dbraw/zinc/17/50/90/571175090.db2.gz VFRDZQMYQFDCPZ-UHFFFAOYSA-N 1 1 400.527 1.601 50 0 HDAAMO Cc1[nH+]ccn1CCCC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000070012596 571254177 /nfs/dbraw/zinc/25/41/77/571254177.db2.gz VMYJOFMLIIATTH-UHFFFAOYSA-N 1 1 411.572 1.625 50 0 HDAAMO O=C(Cn1nc(N2CCSCC2)ccc1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000071282499 571290885 /nfs/dbraw/zinc/29/08/85/571290885.db2.gz JIDKGYDTLFMORO-UHFFFAOYSA-N 1 1 413.547 1.141 50 0 HDAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(C(=O)CCn3cncn3)C2)cc1OC ZINC000012385865 1073543237 /nfs/dbraw/zinc/54/32/37/1073543237.db2.gz QHOJSDBOFSYERT-GOSISDBHSA-N 1 1 401.511 1.851 50 0 HDAAMO C[N@H+]1CCCN(C(=O)c2cn(CCNC(=O)Cc3ccc4ccccc4c3)nn2)CC1 ZINC000012470853 1074176806 /nfs/dbraw/zinc/17/68/06/1074176806.db2.gz BFSUKRWNYIPDLH-UHFFFAOYSA-N 1 1 420.517 1.568 50 0 HDAAMO CCOc1ccccc1N1CCN(C(=O)CC[N@H+](C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000823395380 1076134127 /nfs/dbraw/zinc/13/41/27/1076134127.db2.gz JGVMHPSOASKNOK-KRWDZBQOSA-N 1 1 409.552 1.243 50 0 HDAAMO CCOc1ccccc1N1CCN(C(=O)CC[N@@H+](C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000823395380 1076134134 /nfs/dbraw/zinc/13/41/34/1076134134.db2.gz JGVMHPSOASKNOK-KRWDZBQOSA-N 1 1 409.552 1.243 50 0 HDAAMO Cn1ccnc1C(=O)c1cccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000044901497 522070224 /nfs/dbraw/zinc/07/02/24/522070224.db2.gz NXQHUFPIQPSYIW-MRXNPFEDSA-N 1 1 409.446 1.602 50 0 HDAAMO C[NH+](C)CCN(C(=O)c1cc(F)ccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000032841794 524059481 /nfs/dbraw/zinc/05/94/81/524059481.db2.gz REKAEFHHPFSERK-LBPRGKRZSA-N 1 1 407.305 1.779 50 0 HDAAMO Cc1cc(OCC(=O)NCCC[NH+]2CCOCC2)c2c3c(c(=O)oc2c1)CCC3 ZINC000020548046 525360447 /nfs/dbraw/zinc/36/04/47/525360447.db2.gz BEQOIEAUZMSIPX-UHFFFAOYSA-N 1 1 400.475 1.807 50 0 HDAAMO CC(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2ncnc3ccccc32)CC1 ZINC000012718274 535107625 /nfs/dbraw/zinc/10/76/25/535107625.db2.gz UQICUSSEVIQMCU-IBGZPJMESA-N 1 1 410.522 1.125 50 0 HDAAMO CC(C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2ncnc3ccccc32)CC1 ZINC000012718274 535107633 /nfs/dbraw/zinc/10/76/33/535107633.db2.gz UQICUSSEVIQMCU-IBGZPJMESA-N 1 1 410.522 1.125 50 0 HDAAMO CCN(CC)[C@H]1CC(=O)N(c2ccc(N3C(=O)C[C@H]([NH+](CC)CC)C3=O)cc2)C1=O 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KTSBJAQGKFVJOJ-FQEVSTJZSA-N 1 1 424.505 1.944 50 0 HDAAMO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3nc(-c4cnccn4)no3)CC2)C1 ZINC000011814527 558278803 /nfs/dbraw/zinc/27/88/03/558278803.db2.gz FLACYSBFCXWTPI-OAHLLOKOSA-N 1 1 400.483 1.766 50 0 HDAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000011818304 558281550 /nfs/dbraw/zinc/28/15/50/558281550.db2.gz OWAIQCWDBMIJBO-MRXNPFEDSA-N 1 1 404.536 1.166 50 0 HDAAMO COc1cccc(OC[C@@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000019794755 558284068 /nfs/dbraw/zinc/28/40/68/558284068.db2.gz CDXVEQDWNWPPIG-SFHVURJKSA-N 1 1 400.475 1.981 50 0 HDAAMO CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019832108 558291901 /nfs/dbraw/zinc/29/19/01/558291901.db2.gz CWEITHQGTWBEKE-UHFFFAOYSA-N 1 1 415.559 1.835 50 0 HDAAMO C[NH+]1CCN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(Cc3cccnc3)C2=O)CC1 ZINC000019836090 558292867 /nfs/dbraw/zinc/29/28/67/558292867.db2.gz HCESYYKFGHSBPH-HSZRJFAPSA-N 1 1 406.486 1.443 50 0 HDAAMO COc1cc(C[NH2+]CCc2cnccn2)ccc1OC[C@H](O)CN1CCSCC1 ZINC000011878884 558293365 /nfs/dbraw/zinc/29/33/65/558293365.db2.gz LTIGOPURABHHAP-LJQANCHMSA-N 1 1 418.563 1.606 50 0 HDAAMO COc1cc(C[NH+]2CCC(C(N)=O)CC2)ccc1OC[C@H](O)CN1CCSCC1 ZINC000011951635 558302986 /nfs/dbraw/zinc/30/29/86/558302986.db2.gz LWHZROUNBNIXTM-GOSISDBHSA-N 1 1 423.579 1.181 50 0 HDAAMO COc1ccccc1C[N@@H+]1CCc2nnc([C@@H](NS(C)(=O)=O)C(C)C)n2CC1 ZINC000012030816 558311170 /nfs/dbraw/zinc/31/11/70/558311170.db2.gz FOALPLMHTGOCPC-SFHVURJKSA-N 1 1 407.540 1.591 50 0 HDAAMO CCOC(=O)C1C(C[NH+]2CCC3(CC2)OCCO3)=NC(=O)N[C@@H]1c1ccccc1 ZINC000020283387 558353695 /nfs/dbraw/zinc/35/36/95/558353695.db2.gz UHPKFPJRHDTVKS-GOSISDBHSA-N 1 1 401.463 1.697 50 0 HDAAMO CCOC(=O)C1C(C[NH+]2CCC(C(N)=O)CC2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000020530915 558384105 /nfs/dbraw/zinc/38/41/05/558384105.db2.gz GGEZKSTVRYVCKK-SFHVURJKSA-N 1 1 416.478 1.064 50 0 HDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc([C@@]2(CC)CCC(=O)NC2=O)cc1 ZINC000012409050 558399566 /nfs/dbraw/zinc/39/95/66/558399566.db2.gz CGHVAHMREGLLNB-HTAPYJJXSA-N 1 1 414.506 1.310 50 0 HDAAMO CCOCCC[NH2+]Cc1ccc(OC[C@H](O)CN2CCN(CC)CC2)c(OC)c1 ZINC000020910577 558421963 /nfs/dbraw/zinc/42/19/63/558421963.db2.gz KZUXDRHEGVQDLZ-HXUWFJFHSA-N 1 1 409.571 1.589 50 0 HDAAMO COCCN(C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)CCNC(C)=O ZINC000012575075 558430693 /nfs/dbraw/zinc/43/06/93/558430693.db2.gz GZBBBZMBBJLHAP-LJQANCHMSA-N 1 1 401.551 1.867 50 0 HDAAMO COCCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000012788918 558464237 /nfs/dbraw/zinc/46/42/37/558464237.db2.gz JYHPJIXRGBDLJN-FQEVSTJZSA-N 1 1 417.531 1.740 50 0 HDAAMO COCCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000012788918 558464241 /nfs/dbraw/zinc/46/42/41/558464241.db2.gz JYHPJIXRGBDLJN-FQEVSTJZSA-N 1 1 417.531 1.740 50 0 HDAAMO O[C@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1N1CCN(c2ccccn2)CC1 ZINC000022892389 558518892 /nfs/dbraw/zinc/51/88/92/558518892.db2.gz VDJKQHIHRAVHKB-VXKWHMMOSA-N 1 1 404.518 1.635 50 0 HDAAMO CS(=O)(=O)Nc1cccc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000023140426 558537673 /nfs/dbraw/zinc/53/76/73/558537673.db2.gz NMTGZBSQCWTLFE-UHFFFAOYSA-N 1 1 402.520 1.814 50 0 HDAAMO Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCC[NH+](C)C)c2cccs2)cc1 ZINC000004519513 558637968 /nfs/dbraw/zinc/63/79/68/558637968.db2.gz BCUBJYYYYJFCLZ-QGZVFWFLSA-N 1 1 423.560 1.366 50 0 HDAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC000014254498 558650961 /nfs/dbraw/zinc/65/09/61/558650961.db2.gz HJPOOGATRURWSB-SFHVURJKSA-N 1 1 409.552 1.558 50 0 HDAAMO COc1ccccc1N1CCN(C(=O)NC[C@H]([C@@H]2CCOC2)[NH+]2CCOCC2)CC1 ZINC000026308613 558659028 /nfs/dbraw/zinc/65/90/28/558659028.db2.gz GRZWRTHODSHVRL-UYAOXDASSA-N 1 1 418.538 1.264 50 0 HDAAMO O=C(NCc1cccc(NC(=O)C2CC2)c1)NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000027360402 558672447 /nfs/dbraw/zinc/67/24/47/558672447.db2.gz XQGQLUHCKRAVHW-QUCCMNQESA-N 1 1 416.522 1.572 50 0 HDAAMO CCOc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)CCOC)n3CC2)cc1 ZINC000014879269 558675489 /nfs/dbraw/zinc/67/54/89/558675489.db2.gz KVAQWXZIYPGIBV-MRXNPFEDSA-N 1 1 401.511 1.949 50 0 HDAAMO CCOc1ccccc1C[N@@H+]1CCc2nnc([C@@H](C)NC(=O)CCOC)n2CC1 ZINC000014884617 558677227 /nfs/dbraw/zinc/67/72/27/558677227.db2.gz FAUPQTBLMUIOGN-MRXNPFEDSA-N 1 1 401.511 1.949 50 0 HDAAMO COc1cc(O)ccc1C[N@@H+]1CCc2nnc([C@@H](NS(C)(=O)=O)C(C)C)n2CC1 ZINC000014885581 558677433 /nfs/dbraw/zinc/67/74/33/558677433.db2.gz KYCQEZSTDUCVIQ-SFHVURJKSA-N 1 1 423.539 1.297 50 0 HDAAMO CCN1CC[NH+](CCCNC(=O)c2c(C)oc3ncnc(N4CCOCC4)c32)CC1 ZINC000022937132 558678891 /nfs/dbraw/zinc/67/88/91/558678891.db2.gz STCQLZDNZOIDLZ-UHFFFAOYSA-N 1 1 416.526 1.125 50 0 HDAAMO COc1cccc(OC)c1C[N@H+]1CCc2nnc(CNC(=O)c3ccccn3)n2CC1 ZINC000014967610 558686346 /nfs/dbraw/zinc/68/63/46/558686346.db2.gz MZHURADHMSCUFQ-UHFFFAOYSA-N 1 1 422.489 1.679 50 0 HDAAMO COc1cccc(OC)c1C[N@@H+]1CCc2nnc(CNC(=O)c3ccccn3)n2CC1 ZINC000014967610 558686348 /nfs/dbraw/zinc/68/63/48/558686348.db2.gz MZHURADHMSCUFQ-UHFFFAOYSA-N 1 1 422.489 1.679 50 0 HDAAMO CCc1cc(C[NH2+]Cc2ccc(OC[C@@H](O)CN3CCOCC3)c(OC)c2)on1 ZINC000014973430 558688356 /nfs/dbraw/zinc/68/83/56/558688356.db2.gz BHWIXKQAIBBDIP-SFHVURJKSA-N 1 1 405.495 1.607 50 0 HDAAMO COCc1ccc(C[N@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)o1 ZINC000014980496 558691134 /nfs/dbraw/zinc/69/11/34/558691134.db2.gz ATJCRINCRJRSOA-QGZVFWFLSA-N 1 1 411.528 1.322 50 0 HDAAMO COCc1ccc(C[N@@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)o1 ZINC000014980496 558691137 /nfs/dbraw/zinc/69/11/37/558691137.db2.gz ATJCRINCRJRSOA-QGZVFWFLSA-N 1 1 411.528 1.322 50 0 HDAAMO O=C([C@@H]1CCC[N@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C1)N1CCOCC1 ZINC000014980963 558691328 /nfs/dbraw/zinc/69/13/28/558691328.db2.gz DTSMBPKVQNSVHN-OAHLLOKOSA-N 1 1 400.435 1.536 50 0 HDAAMO O=C([C@@H]1CCC[N@@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C1)N1CCOCC1 ZINC000014980963 558691332 /nfs/dbraw/zinc/69/13/32/558691332.db2.gz DTSMBPKVQNSVHN-OAHLLOKOSA-N 1 1 400.435 1.536 50 0 HDAAMO CCOc1ccccc1C[N@@H+]1CCc2nnc([C@@H](NS(C)(=O)=O)C(C)C)n2CC1 ZINC000014992005 558694852 /nfs/dbraw/zinc/69/48/52/558694852.db2.gz SXUGFUANLLCQMM-IBGZPJMESA-N 1 1 421.567 1.981 50 0 HDAAMO C[NH+](C)CCNC(=O)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1cccs1 ZINC000004553671 558720835 /nfs/dbraw/zinc/72/08/35/558720835.db2.gz PCIWWXYDFVOYHU-CYBMUJFWSA-N 1 1 415.562 1.119 50 0 HDAAMO CC[C@@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1OC)[N@H+]1CCc2ccccc2C1 ZINC000029911384 558723773 /nfs/dbraw/zinc/72/37/73/558723773.db2.gz MIOYDWNRTMWYHW-KRWDZBQOSA-N 1 1 417.531 1.909 50 0 HDAAMO NC(=O)CSc1nn2c(nc3c(c2=O)C[N@@H+](CCc2ccccc2)CC3)s1 ZINC000015414140 558738731 /nfs/dbraw/zinc/73/87/31/558738731.db2.gz GQJFBSKFCBZSJY-UHFFFAOYSA-N 1 1 401.517 1.329 50 0 HDAAMO Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]c(C)n3)CC2)cc1 ZINC000015671298 558748528 /nfs/dbraw/zinc/74/85/28/558748528.db2.gz XBJINNSGPISJNH-UHFFFAOYSA-N 1 1 417.535 1.441 50 0 HDAAMO CN1C(C(=O)N2CC[NH+](Cc3ccccc3)CC2)=CC(c2ccco2)=NS1(=O)=O 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O=C(Cn1c(=O)cnc2ccccc21)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000229985588 569040741 /nfs/dbraw/zinc/04/07/41/569040741.db2.gz ZGLWIVNOBGHCMG-RTBURBONSA-N 1 1 406.486 1.396 50 0 HDAAMO CC[C@H](C(=O)NCCC[NH+]1CCOCC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776179 569093870 /nfs/dbraw/zinc/09/38/70/569093870.db2.gz CYAHFZASBKFKPR-GOSISDBHSA-N 1 1 411.506 1.678 50 0 HDAAMO O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000169772658 569171922 /nfs/dbraw/zinc/17/19/22/569171922.db2.gz XRJAGLGHLXFIEV-HXUWFJFHSA-N 1 1 421.501 1.299 50 0 HDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](CCSC)n1c(=O)[nH]c2ccccc2c1=O ZINC000524734009 569214046 /nfs/dbraw/zinc/21/40/46/569214046.db2.gz MXBGCQWCSROUDG-PBHICJAKSA-N 1 1 404.536 1.997 50 0 HDAAMO C[C@@H](C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)n1nnc(-c2ccccc2)n1 ZINC000170601433 569243132 /nfs/dbraw/zinc/24/31/32/569243132.db2.gz MQMPZNSQYGDVHE-MBSDFSHPSA-N 1 1 420.517 1.997 50 0 HDAAMO 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/nfs/dbraw/zinc/43/66/69/522436669.db2.gz DIPFKNFATUARDI-UHFFFAOYSA-N 1 1 405.495 1.791 50 0 HDAAMO C[N@@H+](Cc1cccc(S(=O)(=O)N2CCOCC2)c1)C[C@@H]1COc2ccccc2O1 ZINC000032666683 523316181 /nfs/dbraw/zinc/31/61/81/523316181.db2.gz ZQSWXQWOJIHNLA-GOSISDBHSA-N 1 1 418.515 1.979 50 0 HDAAMO C[N@H+](Cc1cccc(S(=O)(=O)N2CCOCC2)c1)C[C@@H]1COc2ccccc2O1 ZINC000032666683 523316198 /nfs/dbraw/zinc/31/61/98/523316198.db2.gz ZQSWXQWOJIHNLA-GOSISDBHSA-N 1 1 418.515 1.979 50 0 HDAAMO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)C1 ZINC000041788816 524085733 /nfs/dbraw/zinc/08/57/33/524085733.db2.gz KUHNRWUQFXRKLT-KRWDZBQOSA-N 1 1 415.538 1.190 50 0 HDAAMO COc1ccc(Nc2nc(N3CC[NH+](CCO)CC3)nc3c2cnn3C)cc1Cl ZINC000020560394 524720102 /nfs/dbraw/zinc/72/01/02/524720102.db2.gz RXKWVBYPSZWHTR-UHFFFAOYSA-N 1 1 417.901 1.883 50 0 HDAAMO Cc1ccc(S(=O)(=O)N(CCC[NH+]2CCCC2)CCC(=O)N2CCNCC2)cc1 ZINC000045945167 525510400 /nfs/dbraw/zinc/51/04/00/525510400.db2.gz UZOKJDKJFGGFQM-UHFFFAOYSA-N 1 1 422.595 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ZINC000072119198 558927935 /nfs/dbraw/zinc/92/79/35/558927935.db2.gz BORMGUDDHPARMG-UHFFFAOYSA-N 1 1 417.464 1.861 50 0 HDAAMO Cc1cc(NC(=O)CN2CC[NH+](C[C@H](O)c3ccc(OC(F)F)cc3)CC2)no1 ZINC000059931721 558939954 /nfs/dbraw/zinc/93/99/54/558939954.db2.gz UIDFMMUHNHDEHK-INIZCTEOSA-N 1 1 410.421 1.874 50 0 HDAAMO C[NH+]1CCN(C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)CC1 ZINC000019589726 558940551 /nfs/dbraw/zinc/94/05/51/558940551.db2.gz LWBBUEQPTLDFLC-UHFFFAOYSA-N 1 1 413.849 1.899 50 0 HDAAMO O=C(CN1CCCCC1=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000061969763 558947717 /nfs/dbraw/zinc/94/77/17/558947717.db2.gz ONNNCABURCYIPV-GOSISDBHSA-N 1 1 402.514 1.951 50 0 HDAAMO Cc1nccn1-c1cc(NCCNS(=O)(=O)c2ccc(F)cc2F)[nH+]c(C)n1 ZINC000065364437 558975537 /nfs/dbraw/zinc/97/55/37/558975537.db2.gz AVIKVGQWWYQZMX-UHFFFAOYSA-N 1 1 408.434 1.948 50 0 HDAAMO COc1ccc(CC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]c(C)n3)CC2)cc1 ZINC000065364676 558975751 /nfs/dbraw/zinc/97/57/51/558975751.db2.gz 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CN(C)CC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082120270 559039153 /nfs/dbraw/zinc/03/91/53/559039153.db2.gz MOCUYHLCXYCBSW-FQEVSTJZSA-N 1 1 400.567 1.610 50 0 HDAAMO CCCS(=O)(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082138443 559040454 /nfs/dbraw/zinc/04/04/54/559040454.db2.gz GRPMUKXJAUDSQI-KRWDZBQOSA-N 1 1 408.568 1.614 50 0 HDAAMO CN(C)C(=O)CNC(=O)[C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000082157636 559041477 /nfs/dbraw/zinc/04/14/77/559041477.db2.gz ZAZBQUHQQUMJMB-FQEVSTJZSA-N 1 1 400.567 1.610 50 0 HDAAMO COCCNC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000033313941 559055226 /nfs/dbraw/zinc/05/52/26/559055226.db2.gz XMEYVKZLVLWFSG-HNNXBMFYSA-N 1 1 404.467 1.728 50 0 HDAAMO COCCNC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000033313941 559055227 /nfs/dbraw/zinc/05/52/27/559055227.db2.gz XMEYVKZLVLWFSG-HNNXBMFYSA-N 1 1 404.467 1.728 50 0 HDAAMO COCCn1c(=O)[nH]c2cc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)ccc2c1=O ZINC000004791347 559065608 /nfs/dbraw/zinc/06/56/08/559065608.db2.gz GAYXUELCVOATAE-UHFFFAOYSA-N 1 1 424.501 1.588 50 0 HDAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)[nH]c(=O)n(CCOC)c2=O ZINC000004791400 559065694 /nfs/dbraw/zinc/06/56/94/559065694.db2.gz MDWQFTYRLQRVOP-QGZVFWFLSA-N 1 1 416.522 1.721 50 0 HDAAMO CNC(=O)CN(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091829577 559073727 /nfs/dbraw/zinc/07/37/27/559073727.db2.gz KPLVAKFLOSURBN-FQEVSTJZSA-N 1 1 412.578 1.535 50 0 HDAAMO CNC(=O)CN(C)C(=O)[C@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091829577 559073728 /nfs/dbraw/zinc/07/37/28/559073728.db2.gz KPLVAKFLOSURBN-FQEVSTJZSA-N 1 1 412.578 1.535 50 0 HDAAMO COc1ccc(CN2CCS(=O)(=O)CC2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000095503963 559082899 /nfs/dbraw/zinc/08/28/99/559082899.db2.gz RIVQZDQNIQSJSS-KRWDZBQOSA-N 1 1 400.541 1.006 50 0 HDAAMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)COC ZINC000095524399 559085782 /nfs/dbraw/zinc/08/57/82/559085782.db2.gz NVHKNGJOJKBSAA-QGZVFWFLSA-N 1 1 403.527 1.133 50 0 HDAAMO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC1)c1[nH]cnc1CCN2C(=O)COC ZINC000095524399 559085783 /nfs/dbraw/zinc/08/57/83/559085783.db2.gz NVHKNGJOJKBSAA-QGZVFWFLSA-N 1 1 403.527 1.133 50 0 HDAAMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC1)c1[nH]cnc1CCN2C(=O)COC ZINC000095524399 559085785 /nfs/dbraw/zinc/08/57/85/559085785.db2.gz NVHKNGJOJKBSAA-QGZVFWFLSA-N 1 1 403.527 1.133 50 0 HDAAMO CN(C)S(=O)(=O)c1cccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000033426795 559190680 /nfs/dbraw/zinc/19/06/80/559190680.db2.gz DYNUGGPSKDCSEK-UHFFFAOYSA-N 1 1 409.552 1.702 50 0 HDAAMO COc1ccc(NC(=O)C(=O)NC[C@H](c2cccn2C)[NH+]2CCCC2)cc1OC ZINC000011898285 559265522 /nfs/dbraw/zinc/26/55/22/559265522.db2.gz VFSQGKSJBUXLSC-QGZVFWFLSA-N 1 1 400.479 1.934 50 0 HDAAMO COc1ccc(N2C(=O)[C@H]3[C@@H](C(N)=O)[N@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)c(OC)c1 ZINC000018211626 560784702 /nfs/dbraw/zinc/78/47/02/560784702.db2.gz LGIOKZZBLKYBBP-NMLBUPMWSA-N 1 1 419.437 1.705 50 0 biogenic HDAAMO COc1ccc(N2C(=O)[C@H]3[C@@H](C(N)=O)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)c(OC)c1 ZINC000018211626 560784704 /nfs/dbraw/zinc/78/47/04/560784704.db2.gz LGIOKZZBLKYBBP-NMLBUPMWSA-N 1 1 419.437 1.705 50 0 biogenic HDAAMO C[C@H](O)[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000105348497 560870694 /nfs/dbraw/zinc/87/06/94/560870694.db2.gz WILWCVSJERCUGF-WKEQEPPJSA-N 1 1 423.444 1.170 50 0 HDAAMO CCN(Cc1ccc2c(c1)OCO2)C(=O)NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1 ZINC000045636477 568420310 /nfs/dbraw/zinc/42/03/10/568420310.db2.gz QVMIIVFUVRWIEU-ROUUACIJSA-N 1 1 405.495 1.684 50 0 HDAAMO C[N@H+]1CCCN(c2ccc(CNC(=O)c3ccc(Cn4cncn4)cc3)cn2)CC1 ZINC000048235139 568432823 /nfs/dbraw/zinc/43/28/23/568432823.db2.gz MZRBZNSYKPKGOF-UHFFFAOYSA-N 1 1 405.506 1.793 50 0 HDAAMO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000048274282 568434159 /nfs/dbraw/zinc/43/41/59/568434159.db2.gz IXJUQKCQXXQDSM-OALUTQOASA-N 1 1 404.490 1.377 50 0 HDAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)Nc1ccc(-n2cncn2)nc1 ZINC000048326185 568438984 /nfs/dbraw/zinc/43/89/84/568438984.db2.gz YGTIZDICLVRJGO-UHFFFAOYSA-N 1 1 420.521 1.992 50 0 HDAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)C(=O)NCc2ccccn2)CC1 ZINC000020287965 568597475 /nfs/dbraw/zinc/59/74/75/568597475.db2.gz IEHCRUOJAPJVQH-VQIMIIECSA-N 1 1 415.563 1.643 50 0 HDAAMO CCN1CC[NH+](CCCNC(=O)CCC(=O)N2C[C@H](C)Oc3ccccc32)CC1 ZINC000020466258 568610338 /nfs/dbraw/zinc/61/03/38/568610338.db2.gz NIQLNGUNPCYTRL-SFHVURJKSA-N 1 1 402.539 1.725 50 0 HDAAMO Cn1c(C[NH+]2CCCCC2)cc(=O)c(O)c1CN1CCN(C2CCOCC2)CC1 ZINC000095476756 568630372 /nfs/dbraw/zinc/63/03/72/568630372.db2.gz INIQCJGGMWEQHZ-UHFFFAOYSA-N 1 1 404.555 1.373 50 0 HDAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2cc3c(c(OC)c2)OCO3)CC[C@H]1N1CCOCC1 ZINC000020599740 568636025 /nfs/dbraw/zinc/63/60/25/568636025.db2.gz DZGVPUVVYCGGML-ZWKOTPCHSA-N 1 1 420.506 1.900 50 0 HDAAMO COC(=O)CC[C@H]1CN(Cc2cc3c(c(OC)c2)OCO3)CC[C@H]1[NH+]1CCOCC1 ZINC000020599740 568636029 /nfs/dbraw/zinc/63/60/29/568636029.db2.gz DZGVPUVVYCGGML-ZWKOTPCHSA-N 1 1 420.506 1.900 50 0 HDAAMO COc1ccccc1[C@H](CNC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O)[NH+](C)C ZINC000225431436 568637652 /nfs/dbraw/zinc/63/76/52/568637652.db2.gz QANVVNZSCJKVOW-CVDCTZTESA-N 1 1 411.502 1.821 50 0 HDAAMO CCCN1CCN(c2nnc(-n3cccc3C[NH2+]CCN3CCOCC3)s2)CC1 ZINC000020942859 568652869 /nfs/dbraw/zinc/65/28/69/568652869.db2.gz VAIVKMJCKDESSL-UHFFFAOYSA-N 1 1 419.599 1.283 50 0 HDAAMO CCCn1nnnc1CN1CCC[C@@H](C[N@H+](Cc2nnnn2CCC)C(C)C)C1 ZINC000095979978 568675109 /nfs/dbraw/zinc/67/51/09/568675109.db2.gz RZSQUQQJMLUMAV-QGZVFWFLSA-N 1 1 404.567 1.602 50 0 HDAAMO CCCn1nnnc1CN1CCC[C@@H](C[N@@H+](Cc2nnnn2CCC)C(C)C)C1 ZINC000095979978 568675112 /nfs/dbraw/zinc/67/51/12/568675112.db2.gz RZSQUQQJMLUMAV-QGZVFWFLSA-N 1 1 404.567 1.602 50 0 HDAAMO C[C@H]1[C@H](NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CCC[N@H+]1C ZINC000096010239 568683747 /nfs/dbraw/zinc/68/37/47/568683747.db2.gz NFXLZIZQVZTWTK-SWLSCSKDSA-N 1 1 418.357 1.716 50 0 HDAAMO Cn1cc[nH+]c1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000012444515 568725749 /nfs/dbraw/zinc/72/57/49/568725749.db2.gz RKDGBABIKRGFNS-UHFFFAOYSA-N 1 1 403.508 1.167 50 0 HDAAMO CC[NH+]1CCN(C(=O)Cn2c3ccc(C)cc3c(=O)n(-c3cccc(C)c3)c2=O)CC1 ZINC000096318109 568727137 /nfs/dbraw/zinc/72/71/37/568727137.db2.gz CZRLSIOZYJOVRR-UHFFFAOYSA-N 1 1 420.513 1.933 50 0 HDAAMO Cc1cc(O)cc(=O)n1CCC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000097013583 568766335 /nfs/dbraw/zinc/76/63/35/568766335.db2.gz DFMWVRAWMSSWHM-UHFFFAOYSA-N 1 1 422.526 1.311 50 0 HDAAMO O=C(Cn1ncccc1=O)N1CCC([N@H+]2CCC[C@@H]2COCc2ccccc2)CC1 ZINC000225631345 568777710 /nfs/dbraw/zinc/77/77/10/568777710.db2.gz JSONBUKDBHNEBZ-OAQYLSRUSA-N 1 1 410.518 1.916 50 0 HDAAMO O=C(Cn1ncccc1=O)N1CCC([N@H+]2CCC[C@H]2COCc2ccccc2)CC1 ZINC000225631374 568777774 /nfs/dbraw/zinc/77/77/74/568777774.db2.gz JSONBUKDBHNEBZ-NRFANRHFSA-N 1 1 410.518 1.916 50 0 HDAAMO CCOC(=O)C1=C(C[NH+]2CCC(C(N)=O)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414726 568833721 /nfs/dbraw/zinc/83/37/21/568833721.db2.gz GASICHKQSJYMPP-GOSISDBHSA-N 1 1 416.478 1.064 50 0 HDAAMO CCN(CC)C(=O)C[NH+]1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299775888 568874821 /nfs/dbraw/zinc/87/48/21/568874821.db2.gz LLDZQLVZUMOGMU-HXUWFJFHSA-N 1 1 421.513 1.765 50 0 HDAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1cccc2c1OCCO2 ZINC000670438471 568883816 /nfs/dbraw/zinc/88/38/16/568883816.db2.gz SZVUBWTYMIPFGW-NZAVSEOKSA-N 1 1 405.498 1.755 50 0 HDAAMO COc1ccc2[nH]c(CNC(=O)C3CC[NH+]([C@H]4CCS(=O)(=O)C4)CC3)nc2c1 ZINC000670438863 568885143 /nfs/dbraw/zinc/88/51/43/568885143.db2.gz AGIYLPUUTXCMOZ-AWEZNQCLSA-N 1 1 406.508 1.087 50 0 HDAAMO NS(=O)(=O)c1ccc(CC[NH2+][C@H]2CNC(=O)c3cc(-c4cccs4)nn32)cc1 ZINC000263615966 568910676 /nfs/dbraw/zinc/91/06/76/568910676.db2.gz GGVXWMHJNQBFNE-QGZVFWFLSA-N 1 1 417.516 1.333 50 0 HDAAMO CC[N@@H+](CCn1cccn1)Cc1ccc(OC[C@H](O)CN2CCOCC2)c(OC)c1 ZINC000012717710 568918082 /nfs/dbraw/zinc/91/80/82/568918082.db2.gz ZZOXACJBEXDMGY-HXUWFJFHSA-N 1 1 418.538 1.486 50 0 HDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)N(C)c4ccccc4)c(=O)c3s2)CC1 ZINC000067225915 569004017 /nfs/dbraw/zinc/00/40/17/569004017.db2.gz FZDQBJVJECFZSA-UHFFFAOYSA-N 1 1 412.519 1.658 50 0 HDAAMO O=C(c1ccc(N2C(=O)CCS2(=O)=O)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015842483 569013827 /nfs/dbraw/zinc/01/38/27/569013827.db2.gz YFFHDTKQTSEMOK-UHFFFAOYSA-N 1 1 413.499 1.711 50 0 HDAAMO CC[N@@H+]1CCC[C@@H]1CN(CC(=O)N1CCNCC1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000015864134 569016321 /nfs/dbraw/zinc/01/63/21/569016321.db2.gz MXAVENLRLIPHRM-HXUWFJFHSA-N 1 1 415.538 1.003 50 0 HDAAMO CC[N@H+]1CCC[C@@H]1CN(CC(=O)N1CCNCC1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000015864134 569016322 /nfs/dbraw/zinc/01/63/22/569016322.db2.gz MXAVENLRLIPHRM-HXUWFJFHSA-N 1 1 415.538 1.003 50 0 HDAAMO Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)[NH2+][C@]32C(=O)Nc3ccccc32)c1 ZINC000015958898 569024779 /nfs/dbraw/zinc/02/47/79/569024779.db2.gz WNGAHZPYIAAOTA-VEGFFGPVSA-N 1 1 405.454 1.609 50 0 biogenic HDAAMO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000035310476 569031113 /nfs/dbraw/zinc/03/11/13/569031113.db2.gz WHQSTGILLKJOJP-JKSUJKDBSA-N 1 1 418.991 1.651 50 0 HDAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H]([C@H](C)O)[NH2+][C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O ZINC000245256324 569055523 /nfs/dbraw/zinc/05/55/23/569055523.db2.gz OWTVRJFUUJRVCS-LAIFLBIKSA-N 1 1 405.882 1.548 50 0 HDAAMO Cc1ccc(CN2CC[NH+](CCCNC(=O)c3nc(-c4ccncn4)no3)CC2)cc1 ZINC000064459846 569063030 /nfs/dbraw/zinc/06/30/30/569063030.db2.gz VZHSPSPJEQDANL-UHFFFAOYSA-N 1 1 421.505 1.773 50 0 HDAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1nc(-c2cncnc2)no1 ZINC000064459809 569063059 /nfs/dbraw/zinc/06/30/59/569063059.db2.gz SXTVADJIFYLIAT-UHFFFAOYSA-N 1 1 407.478 1.464 50 0 HDAAMO COc1ccccc1-c1cc(C(=O)N2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)no1 ZINC000036001464 569075131 /nfs/dbraw/zinc/07/51/31/569075131.db2.gz VMSYGYYRWTYFLX-MRXNPFEDSA-N 1 1 412.490 1.976 50 0 HDAAMO COc1ccc(OC)c(-c2cc(C(=O)N[C@@H](C)C(=O)N3CC[NH+](C)CC3)no2)c1 ZINC000036016010 569076592 /nfs/dbraw/zinc/07/65/92/569076592.db2.gz UCMPASXJPLRBMD-ZDUSSCGKSA-N 1 1 402.451 1.251 50 0 HDAAMO CCN1CC[NH+](CCCNC(=O)[C@@H](C)n2c3ccccc3c3cnn(C)c(=O)c32)CC1 ZINC000064776042 569093692 /nfs/dbraw/zinc/09/36/92/569093692.db2.gz FCEQDLMRVFUESH-QGZVFWFLSA-N 1 1 424.549 1.593 50 0 HDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@]2(CC)CCC(=O)NC2=O)cc1 ZINC000036352090 569147065 /nfs/dbraw/zinc/14/70/65/569147065.db2.gz CGHVAHMREGLLNB-VGSWGCGISA-N 1 1 414.506 1.310 50 0 HDAAMO COc1ccccc1CNC(=O)C1CCN(c2cncnc2N2CC[NH+](C)CC2)CC1 ZINC000065226842 569200071 /nfs/dbraw/zinc/20/00/71/569200071.db2.gz DBUAGHCZCBCOPA-UHFFFAOYSA-N 1 1 424.549 1.770 50 0 HDAAMO COc1ccc(CNC(=O)C2CCN(c3cncnc3N3CC[NH+](C)CC3)CC2)cc1 ZINC000065226871 569200081 /nfs/dbraw/zinc/20/00/81/569200081.db2.gz FQJDINCMVNWLAB-UHFFFAOYSA-N 1 1 424.549 1.770 50 0 HDAAMO O=C(CC1(n2cccc2)CCOCC1)NCC[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000524731724 569212444 /nfs/dbraw/zinc/21/24/44/569212444.db2.gz IQNYMEUASKCMKA-UXHICEINSA-N 1 1 424.545 1.781 50 0 biogenic HDAAMO COc1cccc(C(=O)NCCNc2cc(N3CCOCC3)[nH+]c(C)n2)c1OC ZINC000036708060 569222005 /nfs/dbraw/zinc/22/20/05/569222005.db2.gz HTCIIGZHJUSWGJ-UHFFFAOYSA-N 1 1 401.467 1.481 50 0 HDAAMO O=C(C[C@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)NCCC[NH+]1CCOCC1 ZINC000252537578 569293056 /nfs/dbraw/zinc/29/30/56/569293056.db2.gz LPUFQFPVPIRIBJ-MRXNPFEDSA-N 1 1 408.886 1.193 50 0 HDAAMO COc1ccccc1[C@H](CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[NH+](C)C ZINC000007671195 569300078 /nfs/dbraw/zinc/30/00/78/569300078.db2.gz VOQAFDQKLOYAFO-SFHVURJKSA-N 1 1 405.520 1.978 50 0 HDAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cn1ccc2c(cnc3ccnn32)c1=O ZINC000253409770 569366413 /nfs/dbraw/zinc/36/64/13/569366413.db2.gz MJKKMNROIXQSTB-FUHWJXTLSA-N 1 1 408.506 1.767 50 0 biogenic HDAAMO COc1ccccc1CC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000013371280 569412869 /nfs/dbraw/zinc/41/28/69/569412869.db2.gz ZOWDABFKNAAQBX-HKUYNNGSSA-N 1 1 409.529 1.467 50 0 HDAAMO CN1CC[NH+](CCOc2ccc(NC(=O)N3CCC4(CC3)OCCO4)cc2)CC1 ZINC000078975117 569422560 /nfs/dbraw/zinc/42/25/60/569422560.db2.gz XVCWNUAGCKAONA-UHFFFAOYSA-N 1 1 404.511 1.684 50 0 HDAAMO O=C(CCCn1nnc2ccccc2c1=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000079475271 569431467 /nfs/dbraw/zinc/43/14/67/569431467.db2.gz JASFVKCIUWWWQM-UHFFFAOYSA-N 1 1 406.490 1.354 50 0 HDAAMO Cc1cccc(N2CC[NH+](CCCNS(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000040086288 571156867 /nfs/dbraw/zinc/15/68/67/571156867.db2.gz GAAKNKVNQYRQQA-RTBURBONSA-N 1 1 410.584 1.451 50 0 HDAAMO Cc1nn(CC(=O)NCC[N@@H+]2CCCC[C@H]2C)c(=O)c2cc(-c3ccccc3)nn21 ZINC000009727638 571282527 /nfs/dbraw/zinc/28/25/27/571282527.db2.gz TZARAMUWKHDPGC-MRXNPFEDSA-N 1 1 408.506 1.857 50 0 HDAAMO CC1(C)NC(=O)N(C[C@H](O)C[NH+]2CCN(c3nsc4ccccc43)CC2)C1=O ZINC000071279093 571290314 /nfs/dbraw/zinc/29/03/14/571290314.db2.gz MJEIIBQCFVYIDL-CYBMUJFWSA-N 1 1 403.508 1.314 50 0 HDAAMO CC1=NN(CC[N@H+]2CCc3ccccc3C2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C ZINC000010108928 571295229 /nfs/dbraw/zinc/29/52/29/571295229.db2.gz UJVATYHDVCPFJD-HNNXBMFYSA-N 1 1 421.505 1.249 50 0 HDAAMO Cc1ccc(CN2CCN(C(=O)C[C@H]3C(=O)NCC[N@H+]3CC(C)C)CC2=O)cc1 ZINC000012387184 1073546555 /nfs/dbraw/zinc/54/65/55/1073546555.db2.gz AZAAJXYJOGPWFO-IBGZPJMESA-N 1 1 400.523 1.012 50 0 HDAAMO Cc1ccc(CN2CCN(C(=O)C[C@H]3C(=O)NCC[N@@H+]3CC(C)C)CC2=O)cc1 ZINC000012387184 1073546564 /nfs/dbraw/zinc/54/65/64/1073546564.db2.gz AZAAJXYJOGPWFO-IBGZPJMESA-N 1 1 400.523 1.012 50 0 HDAAMO Cc1nnc(SCC[NH2+]Cc2cccc(OC[C@H](O)CN3CCOCC3)c2)[nH]1 ZINC000012430541 1073942804 /nfs/dbraw/zinc/94/28/04/1073942804.db2.gz NOZRUEMJEKRLKL-QGZVFWFLSA-N 1 1 407.540 1.067 50 0 HDAAMO Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)C[C@H]1C(=O)NCC[N@H+]1C(C)C ZINC000012574879 1075700066 /nfs/dbraw/zinc/70/00/66/1075700066.db2.gz CHYNSLXNUAAXEM-IBGZPJMESA-N 1 1 401.486 1.843 50 0 HDAAMO 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COc1cccc(CN2CCC[C@](O)(C[NH2+]Cc3cnc(C)cn3)C2=O)c1OC ZINC000067895055 558994510 /nfs/dbraw/zinc/99/45/10/558994510.db2.gz WYXAYCUJRANYSI-NRFANRHFSA-N 1 1 400.479 1.446 50 0 HDAAMO C[NH+]1CCN(c2cc(N3CCN(C(=O)c4c(F)cccc4Cl)CC3)ncn2)CC1 ZINC000077137503 558999586 /nfs/dbraw/zinc/99/95/86/558999586.db2.gz QPNONMBWUDAYSH-UHFFFAOYSA-N 1 1 418.904 1.983 50 0 HDAAMO CCc1ncc(C(=O)N2CCC3(CN(CC[N@@H+](C)CCOC)C(=O)O3)CC2)cn1 ZINC000077355095 559002214 /nfs/dbraw/zinc/00/22/14/559002214.db2.gz UAMUOEAADDBQRF-UHFFFAOYSA-N 1 1 405.499 1.044 50 0 HDAAMO Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCC[N@H+](C)CC3)[C@H]4C2=O)cc1C ZINC000077518318 559008068 /nfs/dbraw/zinc/00/80/68/559008068.db2.gz REVWQCQJVKMNKM-CIEVZJJWSA-N 1 1 409.530 1.750 50 0 HDAAMO O=C(NCc1ccc2c(c1)OCO2)c1ccc(C[N@@H+]2CCCCC[C@@H]2CO)[nH]c1=O ZINC000077541341 559008976 /nfs/dbraw/zinc/00/89/76/559008976.db2.gz PZCMPCSJKNUYGC-QGZVFWFLSA-N 1 1 413.474 1.771 50 0 HDAAMO COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCC[N@@H+](C)CC3)[C@H]4C2=O)c1 ZINC000077542140 559009093 /nfs/dbraw/zinc/00/90/93/559009093.db2.gz XAZNPQAJTJXJBZ-MXBUBSDBSA-N 1 1 411.502 1.141 50 0 HDAAMO CC[NH+]1CCN(C(=O)c2cn(CCOC)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 ZINC000023108633 559011513 /nfs/dbraw/zinc/01/15/13/559011513.db2.gz TZJJILLGYIRZCU-UHFFFAOYSA-N 1 1 409.490 1.563 50 0 HDAAMO CCn1nccc1C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082096415 559037354 /nfs/dbraw/zinc/03/73/54/559037354.db2.gz SPGDMNQQDGESEY-SFHVURJKSA-N 1 1 424.549 1.931 50 0 HDAAMO CNC(=O)C(C)(C)NC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082115747 559039177 /nfs/dbraw/zinc/03/91/77/559039177.db2.gz ZNQORBVGPMAHTP-SFHVURJKSA-N 1 1 401.555 1.399 50 0 HDAAMO CC(C)OCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082116306 559039248 /nfs/dbraw/zinc/03/92/48/559039248.db2.gz UIGGAGKSXDBDPZ-LJQANCHMSA-N 1 1 402.539 1.826 50 0 HDAAMO O=C([C@H]1CCC[N@H+](C2CCN(Cc3ccc4c(c3)OCO4)CC2)C1)N1CCOCC1 ZINC000082121711 559039576 /nfs/dbraw/zinc/03/95/76/559039576.db2.gz YMWZJKIWAYSMKF-IBGZPJMESA-N 1 1 415.534 1.951 50 0 HDAAMO COc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)ncn1 ZINC000082147104 559040818 /nfs/dbraw/zinc/04/08/18/559040818.db2.gz NIWDRYVSFDNCAX-KRWDZBQOSA-N 1 1 410.522 1.877 50 0 HDAAMO COc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)ncn1 ZINC000082147107 559040868 /nfs/dbraw/zinc/04/08/68/559040868.db2.gz NIWDRYVSFDNCAX-QGZVFWFLSA-N 1 1 410.522 1.877 50 0 HDAAMO O=C([C@H]1CCC[N@H+](C2CCOCC2)C1)N1CCN(Cc2ccccc2F)C(=O)C1 ZINC000095352508 559079755 /nfs/dbraw/zinc/07/97/55/559079755.db2.gz GHYFCZBOGUZGJL-SFHVURJKSA-N 1 1 403.498 1.888 50 0 HDAAMO COc1cc(CN2CCS(=O)(=O)CC2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000095503908 559082683 /nfs/dbraw/zinc/08/26/83/559082683.db2.gz PLNZKEPMMJMRQU-KRWDZBQOSA-N 1 1 400.541 1.006 50 0 HDAAMO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023355805 559173158 /nfs/dbraw/zinc/17/31/58/559173158.db2.gz OGEJOWOICGDPIH-MRXNPFEDSA-N 1 1 402.520 1.479 50 0 HDAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)C[C@@H]1NC(=O)N(Cc2ccco2)C1=O ZINC000409413881 559250893 /nfs/dbraw/zinc/25/08/93/559250893.db2.gz FUCAKXSWTSBMKR-SZMVWBNQSA-N 1 1 402.495 1.813 50 0 HDAAMO COc1ccc(N2C(=O)N[C@H](CC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)C2=O)cc1 ZINC000248146323 559265396 /nfs/dbraw/zinc/26/53/96/559265396.db2.gz SPBQKENQJALNBD-LZQZEXGQSA-N 1 1 414.506 1.891 50 0 HDAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(C)(=O)=O)cc3)c2C(N)=O)C1 ZINC000005223272 560545234 /nfs/dbraw/zinc/54/52/34/560545234.db2.gz LFOOKDNQOWWSAS-UHFFFAOYSA-N 1 1 407.517 1.881 50 0 HDAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(C)(=O)=O)cc3)c2C(N)=O)C1 ZINC000005223272 560545235 /nfs/dbraw/zinc/54/52/35/560545235.db2.gz LFOOKDNQOWWSAS-UHFFFAOYSA-N 1 1 407.517 1.881 50 0 HDAAMO O=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000206230295 560554899 /nfs/dbraw/zinc/55/48/99/560554899.db2.gz VBVPVKLHTAXQRS-LJQANCHMSA-N 1 1 410.474 1.825 50 0 HDAAMO COc1ccc(N2C(=O)N[C@H](CC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc1 ZINC000409415078 560723462 /nfs/dbraw/zinc/72/34/62/560723462.db2.gz SPBQKENQJALNBD-KFKAGJAMSA-N 1 1 414.506 1.891 50 0 HDAAMO Cn1c2ccc(S(=O)(=O)NC[C@H](c3ccc4c(c3)OCO4)[NH+](C)C)cc2oc1=O ZINC000012196723 560891598 /nfs/dbraw/zinc/89/15/98/560891598.db2.gz NZRASAOHRTZWDN-OAHLLOKOSA-N 1 1 419.459 1.441 50 0 HDAAMO CC[C@@](C)(CNC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)[NH+]1CCOCC1 ZINC000048262915 568433683 /nfs/dbraw/zinc/43/36/83/568433683.db2.gz OPQLOLKPMCWMFA-FQEVSTJZSA-N 1 1 423.945 1.899 50 0 HDAAMO C[N@H+]1CCCN(c2ccc(CNC(=O)CCNC(=O)NC3CCCCC3)cn2)CC1 ZINC000048311868 568436975 /nfs/dbraw/zinc/43/69/75/568436975.db2.gz NTZNXESFQYAMJJ-UHFFFAOYSA-N 1 1 416.570 1.862 50 0 HDAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NC(=O)C(=O)NCc2ccco2)CC1 ZINC000020288005 568597470 /nfs/dbraw/zinc/59/74/70/568597470.db2.gz KEUCAAXAAHXCRT-YJBOKZPZSA-N 1 1 404.536 1.841 50 0 HDAAMO CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1CC[NH+](CCO)CC1 ZINC000095471208 568626327 /nfs/dbraw/zinc/62/63/27/568626327.db2.gz MCDGNFQYLWKLAF-UHFFFAOYSA-N 1 1 418.494 1.292 50 0 HDAAMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](C)O)[NH2+][C@]32C(=O)Nc3ccccc32)cc1 ZINC000020611245 568637045 /nfs/dbraw/zinc/63/70/45/568637045.db2.gz JKKMGPVZDDDLSP-NOUOUYHQSA-N 1 1 407.426 1.001 50 0 biogenic HDAAMO CCN1CC[NH+](CCCNC(=O)[C@H](NS(=O)(=O)c2cccs2)C(C)C)CC1 ZINC000021052315 568661082 /nfs/dbraw/zinc/66/10/82/568661082.db2.gz ZLJSUDSJNUAIHB-QGZVFWFLSA-N 1 1 416.613 1.195 50 0 HDAAMO O=C(C[N@H+]1CCC[C@H](O)C1)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O ZINC000095950307 568667458 /nfs/dbraw/zinc/66/74/58/568667458.db2.gz CFMSYRMVOGFJLD-KNGSKEOJSA-N 1 1 423.922 1.949 50 0 HDAAMO O=C(C[N@@H+]1CCC[C@H](O)C1)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O ZINC000095950307 568667462 /nfs/dbraw/zinc/66/74/62/568667462.db2.gz CFMSYRMVOGFJLD-KNGSKEOJSA-N 1 1 423.922 1.949 50 0 HDAAMO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000225771699 568673384 /nfs/dbraw/zinc/67/33/84/568673384.db2.gz DQVISVZOCKKQRM-IAGOWNOFSA-N 1 1 412.575 1.900 50 0 HDAAMO CCn1cc[nH+]c1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000012444626 568725825 /nfs/dbraw/zinc/72/58/25/568725825.db2.gz NZSCCOPIKUSXFB-UHFFFAOYSA-N 1 1 417.535 1.650 50 0 HDAAMO CCOC(=O)C1C(C[NH+]2CCC(C(N)=O)CC2)=NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000057478422 568840020 /nfs/dbraw/zinc/84/00/20/568840020.db2.gz YAVYETSMGWNEDH-IBGZPJMESA-N 1 1 414.506 1.617 50 0 HDAAMO Cc1cc(C)n2nc(C(=O)NCCCN3CC[N@H+](C)C[C@@H]3c3ccccc3)nc2n1 ZINC000030000266 568855317 /nfs/dbraw/zinc/85/53/17/568855317.db2.gz YFXLRJKPBPDTGJ-LJQANCHMSA-N 1 1 407.522 1.850 50 0 HDAAMO Cc1cc(C)n2nc(C(=O)NCCC[N@H+]3CCN(C)C[C@@H]3c3ccccc3)nc2n1 ZINC000030000266 568855319 /nfs/dbraw/zinc/85/53/19/568855319.db2.gz YFXLRJKPBPDTGJ-LJQANCHMSA-N 1 1 407.522 1.850 50 0 HDAAMO Cc1cc(C)n2nc(C(=O)NCCC[N@@H+]3CCN(C)C[C@@H]3c3ccccc3)nc2n1 ZINC000030000266 568855321 /nfs/dbraw/zinc/85/53/21/568855321.db2.gz YFXLRJKPBPDTGJ-LJQANCHMSA-N 1 1 407.522 1.850 50 0 HDAAMO O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CC[NH+](Cc2cncnc2)CC1 ZINC000299775743 568874631 /nfs/dbraw/zinc/87/46/31/568874631.db2.gz ILQIRFHBIBZLGM-HXUWFJFHSA-N 1 1 400.454 1.887 50 0 HDAAMO CC(C)(C)NC(=O)C[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299781576 568875021 /nfs/dbraw/zinc/87/50/21/568875021.db2.gz RJLGSCCYUABFMD-IBGZPJMESA-N 1 1 421.513 1.811 50 0 HDAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ccccc1-n1cnnc1 ZINC000670441529 568895221 /nfs/dbraw/zinc/89/52/21/568895221.db2.gz XKMSRQRJIPYTHB-NBTXJNEHSA-N 1 1 414.513 1.565 50 0 HDAAMO COc1ccc(CN2CCNC(=O)C2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012714288 568917710 /nfs/dbraw/zinc/91/77/10/568917710.db2.gz SJWMYCXURMHJRA-FQEVSTJZSA-N 1 1 413.518 1.499 50 0 HDAAMO CC[N@@H+]1CCc2c(sc(NC(=O)CN3C(=O)c4ccccc4C3=O)c2C(N)=O)C1 ZINC000004087260 568940666 /nfs/dbraw/zinc/94/06/66/568940666.db2.gz GUDFYMPUHHAUGP-UHFFFAOYSA-N 1 1 412.471 1.460 50 0 HDAAMO CC[N@H+]1CCc2c(sc(NC(=O)CN3C(=O)c4ccccc4C3=O)c2C(N)=O)C1 ZINC000004087260 568940669 /nfs/dbraw/zinc/94/06/69/568940669.db2.gz GUDFYMPUHHAUGP-UHFFFAOYSA-N 1 1 412.471 1.460 50 0 HDAAMO NC(=O)COc1ccc(S(=O)(=O)NCC[N@H+]2CCC[C@H](c3ccccc3)C2)cc1 ZINC000670465043 568968251 /nfs/dbraw/zinc/96/82/51/568968251.db2.gz FOTYYMMTAQXNEQ-SFHVURJKSA-N 1 1 417.531 1.709 50 0 HDAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1cc(-c2ccccn2)n[nH]1 ZINC000670465078 568968528 /nfs/dbraw/zinc/96/85/28/568968528.db2.gz YOJMRBSYEKLOBQ-XAHYOPIXSA-N 1 1 414.513 1.769 50 0 HDAAMO O=C(C1CC[NH+](Cc2nc3ccccc3[nH]2)CC1)N1CCN(c2ncccn2)CC1 ZINC000038489477 568997795 /nfs/dbraw/zinc/99/77/95/568997795.db2.gz YRVHSLBKXSIFDM-UHFFFAOYSA-N 1 1 405.506 1.914 50 0 HDAAMO COc1cc(OC)c(C2=NO[C@H](C(=O)NCCC[NH+]3CCOCC3)C2)cc1Cl ZINC000020481672 569008017 /nfs/dbraw/zinc/00/80/17/569008017.db2.gz DNOXWAALFOAYOW-SFHVURJKSA-N 1 1 411.886 1.689 50 0 HDAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000015957666 569024709 /nfs/dbraw/zinc/02/47/09/569024709.db2.gz GVZBCTQZBYHBOZ-SAQZZPNQSA-N 1 1 424.501 1.232 50 0 biogenic HDAAMO C[NH+]1CCN(c2ncncc2N2CCC(C(=O)NCc3ccc(F)cc3)CC2)CC1 ZINC000065226870 569200124 /nfs/dbraw/zinc/20/01/24/569200124.db2.gz FHEFICBCKQLXQV-UHFFFAOYSA-N 1 1 412.513 1.900 50 0 HDAAMO O=C(CN1C(=O)c2ccccc2C1=O)NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000036700032 569222443 /nfs/dbraw/zinc/22/24/43/569222443.db2.gz RWZJYFNCACCQRA-HXUWFJFHSA-N 1 1 407.470 1.862 50 0 HDAAMO O=C(CN1C(=O)c2ccccc2C1=O)NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000036700032 569222444 /nfs/dbraw/zinc/22/24/44/569222444.db2.gz RWZJYFNCACCQRA-HXUWFJFHSA-N 1 1 407.470 1.862 50 0 HDAAMO O=C(NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000017178526 569276279 /nfs/dbraw/zinc/27/62/79/569276279.db2.gz ASFDPSLXRRWTBR-FQEVSTJZSA-N 1 1 411.458 1.934 50 0 HDAAMO O=C(NCCC[N@H+]1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000017178526 569276280 /nfs/dbraw/zinc/27/62/80/569276280.db2.gz ASFDPSLXRRWTBR-FQEVSTJZSA-N 1 1 411.458 1.934 50 0 HDAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@@]21C(=O)Nc2c1cc(C)cc2Cl ZINC000252383355 569285197 /nfs/dbraw/zinc/28/51/97/569285197.db2.gz MHUDSBSAPUUZHC-BQYRHEFBSA-N 1 1 405.882 1.548 50 0 HDAAMO O=C(CNC(=O)c1ccccc1)NC[C@H]1CC[C@H](C(=O)NCCc2cnc[nH]2)CC1 ZINC000252430891 569285511 /nfs/dbraw/zinc/28/55/11/569285511.db2.gz QIIIERFXPQPNPZ-SAABIXHNSA-N 1 1 411.506 1.421 50 0 HDAAMO COc1ccccc1[C@@H](CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[NH+](C)C ZINC000007671196 569300048 /nfs/dbraw/zinc/30/00/48/569300048.db2.gz VOQAFDQKLOYAFO-GOSISDBHSA-N 1 1 405.520 1.978 50 0 HDAAMO NS(=O)(=O)c1cccc(NC(=O)CC[NH+]2CCN(CCc3ccccc3)CC2)c1 ZINC000028893342 569414187 /nfs/dbraw/zinc/41/41/87/569414187.db2.gz FUOYEOGJJXLKHN-UHFFFAOYSA-N 1 1 416.547 1.523 50 0 HDAAMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2ccn(-c3ccccc3Cl)n2)CC1=O ZINC000328591897 569415198 /nfs/dbraw/zinc/41/51/98/569415198.db2.gz QACGLPKMXMAEJR-HNNXBMFYSA-N 1 1 419.913 1.435 50 0 HDAAMO Cc1ccc(C[N@@H+]2CCCN(C(=O)CCn3cnc4c(cnn4C)c3=O)CC2)cc1 ZINC000040087007 571157639 /nfs/dbraw/zinc/15/76/39/571157639.db2.gz GYSWXJBMAQFFLG-UHFFFAOYSA-N 1 1 408.506 1.563 50 0 HDAAMO Cc1cc(=O)n2c(n1)NC(N1CCN(c3ncccn3)CC1)=[NH+][C@@H]2c1ccccc1 ZINC000009289437 571245395 /nfs/dbraw/zinc/24/53/95/571245395.db2.gz ALUZJSYORFMFAA-SFHVURJKSA-N 1 1 402.462 1.492 50 0 HDAAMO CC(C)[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)[NH+]1CCOCC1 ZINC000070012625 571254232 /nfs/dbraw/zinc/25/42/32/571254232.db2.gz FIAFMHAHWCYAKN-ZWKOTPCHSA-N 1 1 417.506 1.493 50 0 HDAAMO COc1ccccc1NCCN1[NH+]=C(C)[C@@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000010108855 571295042 /nfs/dbraw/zinc/29/50/42/571295042.db2.gz HIACBLGJKUXVGD-CYBMUJFWSA-N 1 1 411.466 1.311 50 0 HDAAMO COc1ccc(F)c(C[N@H+]2CCC[C@]3(CCN(C(=O)CCn4cnnn4)C3)C2)c1 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NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000247751518 559115965 /nfs/dbraw/zinc/11/59/65/559115965.db2.gz STSYHFSOMPQGNX-WTGUMLROSA-N 1 1 417.421 1.459 50 0 HDAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000247751518 559115967 /nfs/dbraw/zinc/11/59/67/559115967.db2.gz STSYHFSOMPQGNX-WTGUMLROSA-N 1 1 417.421 1.459 50 0 HDAAMO COC(=O)c1cn(CC[NH+]2CCOCC2)cc2c(=O)n(-c3ccc(OC)cc3)nc1-2 ZINC000101450769 559147007 /nfs/dbraw/zinc/14/70/07/559147007.db2.gz QKPNLEDFAXVFII-UHFFFAOYSA-N 1 1 412.446 1.266 50 0 HDAAMO CCCCCn1c(=O)[nH]c2cc(C(=O)NCCC[NH+]3CCN(C)CC3)ccc2c1=O ZINC000020116984 568589531 /nfs/dbraw/zinc/58/95/31/568589531.db2.gz QMVNCPXAAWLWQC-UHFFFAOYSA-N 1 1 415.538 1.247 50 0 HDAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)C(=O)NCc2cccnc2)CC1 ZINC000020287975 568597499 /nfs/dbraw/zinc/59/74/99/568597499.db2.gz QAHTZUPBVJBUKB-APWZRJJASA-N 1 1 415.563 1.643 50 0 HDAAMO CCN1CC[NH+](CCCNC(=O)CCCN2C(=O)COc3ccc(C)cc32)CC1 ZINC000020413246 568605727 /nfs/dbraw/zinc/60/57/27/568605727.db2.gz DVYIELPSSVJAMV-UHFFFAOYSA-N 1 1 402.539 1.644 50 0 HDAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)CC1 ZINC000020557014 568635092 /nfs/dbraw/zinc/63/50/92/568635092.db2.gz SQOVURHWFGZRTP-QGZVFWFLSA-N 1 1 411.554 1.933 50 0 HDAAMO O=C(Cn1c(=O)c2cccnc2[nH]c1=S)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000020618279 568638220 /nfs/dbraw/zinc/63/82/20/568638220.db2.gz GCWRKWXVNDIDLG-UHFFFAOYSA-N 1 1 424.530 1.019 50 0 HDAAMO CCOCCn1cnc2sc(C(=O)NCCC[NH+]3CCOCC3)c(C)c2c1=O ZINC000020756775 568641381 /nfs/dbraw/zinc/64/13/81/568641381.db2.gz FOMXTBRZBAHQQJ-UHFFFAOYSA-N 1 1 408.524 1.255 50 0 HDAAMO CCCC[N@@H+](CC)CCNC(=O)[C@H]1CCCN(c2nn3c(nc(C)cc3=O)s2)C1 ZINC000021148468 568672127 /nfs/dbraw/zinc/67/21/27/568672127.db2.gz JRLKKIYUWWAELG-INIZCTEOSA-N 1 1 420.583 1.914 50 0 HDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(CCc2ccc(OC)cc2)C1=O ZINC000096231406 568707339 /nfs/dbraw/zinc/70/73/39/568707339.db2.gz FDYKSRFLVHUALH-HKUYNNGSSA-N 1 1 416.522 1.539 50 0 HDAAMO O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000096231819 568707553 /nfs/dbraw/zinc/70/75/53/568707553.db2.gz FTGXJNOWRUQUPX-FQEVSTJZSA-N 1 1 421.501 1.279 50 0 HDAAMO C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000021842030 568754751 /nfs/dbraw/zinc/75/47/51/568754751.db2.gz QXWBJLDQVPFYBC-HSZRJFAPSA-N 1 1 422.485 1.958 50 0 HDAAMO CC(C)Cn1c2c(nc1N1CC[NH+](Cc3ccc(F)cc3)CC1)n(C)c(=O)[nH]c2=O ZINC000056952473 568822235 /nfs/dbraw/zinc/82/22/35/568822235.db2.gz SUFNALINHNGKEF-UHFFFAOYSA-N 1 1 414.485 1.541 50 0 HDAAMO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[NH+]2CCC(C(N)=O)CC2)ccc1C ZINC000005937789 568831030 /nfs/dbraw/zinc/83/10/30/568831030.db2.gz XCKRLIZSFGLCRC-UHFFFAOYSA-N 1 1 410.540 1.161 50 0 HDAAMO CCOc1ccc([C@H]2NC(=O)N=C(C[NH+]3CCC(C(N)=O)CC3)C2C(=O)OC)cc1 ZINC000057415345 568833703 /nfs/dbraw/zinc/83/37/03/568833703.db2.gz HFMNJMRXXQJRLG-GOSISDBHSA-N 1 1 416.478 1.064 50 0 HDAAMO COC(=O)C1C(C[NH+]2CCC(C(N)=O)CC2)=NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000057415048 568833771 /nfs/dbraw/zinc/83/37/71/568833771.db2.gz AXIQHKLZENTNJA-INIZCTEOSA-N 1 1 406.870 1.318 50 0 HDAAMO CCOC(=O)C1=C(C[NH+]2CCC(C(N)=O)CC2)NC(=O)N[C@@H]1c1cccc(F)c1 ZINC000057415619 568833962 /nfs/dbraw/zinc/83/39/62/568833962.db2.gz AOXXLLIUHOZXRC-QGZVFWFLSA-N 1 1 404.442 1.194 50 0 HDAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1cccc2c1OCCO2 ZINC000670438472 568883797 /nfs/dbraw/zinc/88/37/97/568883797.db2.gz SZVUBWTYMIPFGW-XAHYOPIXSA-N 1 1 405.498 1.755 50 0 HDAAMO COC(=O)c1cn(C[C@H](c2ccc(OC)cc2)[NH+]2CCOCC2)cc2c(=O)[nH]nc1-2 ZINC000263588587 568884356 /nfs/dbraw/zinc/88/43/56/568884356.db2.gz WANCUBODXSYFEI-GOSISDBHSA-N 1 1 412.446 1.545 50 0 HDAAMO COCCNC(=O)C[NH+](CC(=O)NCCOC)C1CCC(c2ccccc2)CC1 ZINC000031466620 568926672 /nfs/dbraw/zinc/92/66/72/568926672.db2.gz QMJYCXZDWHAZET-UHFFFAOYSA-N 1 1 405.539 1.540 50 0 HDAAMO C[C@H](CCc1ccco1)NC(=O)CCc1nnc2ccc(N3CC[NH+](C)CC3)nn21 ZINC000015678776 568966618 /nfs/dbraw/zinc/96/66/18/568966618.db2.gz ULYBWLOQFXONKI-MRXNPFEDSA-N 1 1 411.510 1.539 50 0 HDAAMO Cn1nc2c(c1C(=O)N[C@@H]1C3CN4CC1(c1ccccc1)C[N@@H+](C3)CC4)CCCC2 ZINC000670465160 568968810 /nfs/dbraw/zinc/96/88/10/568968810.db2.gz YNGGXARKFGJKBE-XAHYOPIXSA-N 1 1 405.546 1.596 50 0 HDAAMO O=C(NCc1coc(-c2ccccc2)n1)C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000670470437 568995686 /nfs/dbraw/zinc/99/56/86/568995686.db2.gz VBKPLAHDBBZBRK-SFHVURJKSA-N 1 1 403.504 1.857 50 0 HDAAMO Cn1c(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCCC1 ZINC000085875187 569009456 /nfs/dbraw/zinc/00/94/56/569009456.db2.gz DFVUKPFFMHXSSI-SJORKVTESA-N 1 1 410.518 1.468 50 0 biogenic HDAAMO Cn1c(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCCC1 ZINC000085875187 569009457 /nfs/dbraw/zinc/00/94/57/569009457.db2.gz DFVUKPFFMHXSSI-SJORKVTESA-N 1 1 410.518 1.468 50 0 biogenic HDAAMO CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000012846912 569010193 /nfs/dbraw/zinc/01/01/93/569010193.db2.gz DFDKZZPYZMOHJB-QGZVFWFLSA-N 1 1 417.959 1.481 50 0 HDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(=O)nc2sc(N3CCC(C)CC3)nn21 ZINC000015861441 569015583 /nfs/dbraw/zinc/01/55/83/569015583.db2.gz GRYNMDQSHWEDNQ-CQSZACIVSA-N 1 1 404.540 1.601 50 0 HDAAMO O=C(NCc1ccc(N2CCCC2=O)cc1)C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000012904553 569021080 /nfs/dbraw/zinc/02/10/80/569021080.db2.gz NDGCZIBJMALJAB-IBGZPJMESA-N 1 1 419.547 1.329 50 0 HDAAMO Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](C)O)[NH2+][C@]32C(=O)Nc3ccccc32)c1 ZINC000015958899 569024745 /nfs/dbraw/zinc/02/47/45/569024745.db2.gz WNGAHZPYIAAOTA-AYDPKTSMSA-N 1 1 405.454 1.609 50 0 biogenic HDAAMO C[C@H](O)[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@@H]21 ZINC000245327365 569056012 /nfs/dbraw/zinc/05/60/12/569056012.db2.gz OTFGQGNYDVZDKF-BHYOEICHSA-N 1 1 415.465 1.650 50 0 HDAAMO CCOc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(CCC[NH+]2CCOCC2)C3)cc1 ZINC000035834555 569062112 /nfs/dbraw/zinc/06/21/12/569062112.db2.gz MBKNWTOLIWDGRT-FQEVSTJZSA-N 1 1 414.506 1.600 50 0 HDAAMO C[N@H+](Cc1ccccc1)Cc1cc(=O)[nH]c(N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000035926487 569066446 /nfs/dbraw/zinc/06/64/46/569066446.db2.gz WIQVVYBWBSWKII-UHFFFAOYSA-N 1 1 407.474 1.957 50 0 HDAAMO C[N@@H+](Cc1ccccc1)Cc1cc(=O)[nH]c(N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000035926487 569066447 /nfs/dbraw/zinc/06/64/47/569066447.db2.gz WIQVVYBWBSWKII-UHFFFAOYSA-N 1 1 407.474 1.957 50 0 HDAAMO NC(=O)c1noc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3=O)n1 ZINC000426410717 569072744 /nfs/dbraw/zinc/07/27/44/569072744.db2.gz ONZVIONZPYPFQI-LJQANCHMSA-N 1 1 405.405 1.461 50 0 HDAAMO NC(=O)c1noc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3=O)n1 ZINC000426410717 569072745 /nfs/dbraw/zinc/07/27/45/569072745.db2.gz ONZVIONZPYPFQI-LJQANCHMSA-N 1 1 405.405 1.461 50 0 HDAAMO CC[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787494 569094272 /nfs/dbraw/zinc/09/42/72/569094272.db2.gz SZVCVXXCSUQHSQ-IBGZPJMESA-N 1 1 424.549 1.593 50 0 HDAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1nnc(-c2ccc(S(=O)(=O)N(C)C)cc2)o1 ZINC000065114007 569180897 /nfs/dbraw/zinc/18/08/97/569180897.db2.gz OLJHWXFWVCGWSQ-CQSZACIVSA-N 1 1 421.523 1.591 50 0 HDAAMO CC[NH+]1CCN(C(=O)[C@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)CC1 ZINC000065273759 569214758 /nfs/dbraw/zinc/21/47/58/569214758.db2.gz AVWNRKDLARSTSU-INIZCTEOSA-N 1 1 405.568 1.081 50 0 HDAAMO CCCCN(C(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013063286 569408311 /nfs/dbraw/zinc/40/83/11/569408311.db2.gz VNGKTJXTJZKENP-IYBDPMFKSA-N 1 1 407.559 1.886 50 0 HDAAMO COc1ccc(CC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2cccs2)cc1 ZINC000013371154 569412964 /nfs/dbraw/zinc/41/29/64/569412964.db2.gz DLADMYMVIKDXGE-HOTGVXAUSA-N 1 1 415.558 1.528 50 0 HDAAMO Cn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000079484849 569431979 /nfs/dbraw/zinc/43/19/79/569431979.db2.gz QMOVCDKKDOFBJZ-UHFFFAOYSA-N 1 1 412.534 1.241 50 0 HDAAMO CCOC(=O)C1C(CN2CC[NH+](C)CC2)=NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000067287687 571065763 /nfs/dbraw/zinc/06/57/63/571065763.db2.gz CNGOSRARIPZKNX-LJQANCHMSA-N 1 1 402.495 1.504 50 0 HDAAMO COc1ccc(N2CN(CCC[NH+]3CCOCC3)Cn3c(=O)c(C)c(C)nc32)cc1 ZINC000038829950 571085604 /nfs/dbraw/zinc/08/56/04/571085604.db2.gz NZDZZESOSVTKMY-UHFFFAOYSA-N 1 1 413.522 1.960 50 0 HDAAMO Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670473468 571101971 /nfs/dbraw/zinc/10/19/71/571101971.db2.gz ZVZVLQUUBYODFJ-PAHOBDAQSA-N 1 1 407.562 1.653 50 0 HDAAMO Cc1ccc(CN2CCN(C(=O)C[C@@H]3C(=O)NCC[N@H+]3CC(C)C)CC2=O)cc1 ZINC000012387185 1073546712 /nfs/dbraw/zinc/54/67/12/1073546712.db2.gz AZAAJXYJOGPWFO-LJQANCHMSA-N 1 1 400.523 1.012 50 0 HDAAMO Cc1ccc(CN2CCN(C(=O)C[C@@H]3C(=O)NCC[N@@H+]3CC(C)C)CC2=O)cc1 ZINC000012387185 1073546727 /nfs/dbraw/zinc/54/67/27/1073546727.db2.gz AZAAJXYJOGPWFO-LJQANCHMSA-N 1 1 400.523 1.012 50 0 HDAAMO CC(C)CC[N@H+]1CCNC(=O)[C@H]1CC(=O)NCc1cnn(-c2ccc(F)cc2)c1 ZINC000012432617 1073950493 /nfs/dbraw/zinc/95/04/93/1073950493.db2.gz IQYRXEZRIFZTKV-LJQANCHMSA-N 1 1 401.486 1.864 50 0 HDAAMO Cc1nc(CCNC(=O)C[C@H]2C(=O)NCC[N@@H+]2C2Cc3ccccc3C2)sc1C ZINC000012595601 1074742777 /nfs/dbraw/zinc/74/27/77/1074742777.db2.gz ILTIJXHBRILEOJ-IBGZPJMESA-N 1 1 412.559 1.777 50 0 HDAAMO Cc1nc(CCNC(=O)C[C@H]2C(=O)NCC[N@H+]2C2Cc3ccccc3C2)sc1C ZINC000012595601 1074742782 /nfs/dbraw/zinc/74/27/82/1074742782.db2.gz ILTIJXHBRILEOJ-IBGZPJMESA-N 1 1 412.559 1.777 50 0 HDAAMO C[N@H+]1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@H]2C1 ZINC000009111488 132335960 /nfs/dbraw/zinc/33/59/60/132335960.db2.gz GAPJEHCZNLQGOM-QRWLVFNGSA-N 1 1 404.898 1.880 50 0 HDAAMO CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000023958736 522280570 /nfs/dbraw/zinc/28/05/70/522280570.db2.gz VIOJJIGGNQRELF-UHFFFAOYSA-N 1 1 403.504 1.357 50 0 HDAAMO CCc1nn([C@H](C)C(=O)NCCC[NH+]2CCOCC2)c(=O)c2cc3occc3n21 ZINC000020416757 522704209 /nfs/dbraw/zinc/70/42/09/522704209.db2.gz LOPRDWWKTIMAPT-CQSZACIVSA-N 1 1 401.467 1.204 50 0 HDAAMO COCc1nn2c(ncc3c2ccn(N2CC[NH+](C)CC2)c3=O)c1-c1ccc(F)cc1 ZINC000040397128 523247763 /nfs/dbraw/zinc/24/77/63/523247763.db2.gz MYXMKNYUWCHNNH-UHFFFAOYSA-N 1 1 422.464 1.880 50 0 HDAAMO CN1CC[NH+](CCCNC(=O)c2csc(NC(=O)c3ccccc3F)n2)CC1 ZINC000040356013 523899848 /nfs/dbraw/zinc/89/98/48/523899848.db2.gz NPHCEWCEYRBAHB-UHFFFAOYSA-N 1 1 405.499 1.902 50 0 HDAAMO CC(C)COC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)NC3CCCCC3)co2)CC1 ZINC000034677258 557364514 /nfs/dbraw/zinc/36/45/14/557364514.db2.gz QPHBAVUZBCEYKH-LJQANCHMSA-N 1 1 422.570 1.888 50 0 HDAAMO C[NH+]1CCN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)CC1 ZINC000022768334 557818658 /nfs/dbraw/zinc/81/86/58/557818658.db2.gz WLWGWLAFUMZMCZ-OAHLLOKOSA-N 1 1 410.503 1.393 50 0 HDAAMO O=C(Cn1cccn1)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000019741530 558261943 /nfs/dbraw/zinc/26/19/43/558261943.db2.gz RJERVSZLJWQKNM-IBGZPJMESA-N 1 1 411.506 1.421 50 0 HDAAMO CN(CCOc1ccccc1)C(=O)[C@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000019794633 558283890 /nfs/dbraw/zinc/28/38/90/558283890.db2.gz PHNYUDIMQYLTIH-IBGZPJMESA-N 1 1 403.523 1.485 50 0 HDAAMO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)CN3CC[NH+](CCO)CC3)cc21 ZINC000020060013 558329166 /nfs/dbraw/zinc/32/91/66/558329166.db2.gz UCOWGZYZOFEOPF-KRWDZBQOSA-N 1 1 419.522 1.013 50 0 HDAAMO O=C(COc1ccccc1)NCCc1nnc2n1CC[N@H+](Cc1ccccn1)CC2 ZINC000012211577 558354061 /nfs/dbraw/zinc/35/40/61/558354061.db2.gz IDJMOAOZXNYRKJ-UHFFFAOYSA-N 1 1 406.490 1.469 50 0 HDAAMO CN(CCN1CCOCC1)Cc1ccccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000020406388 558360208 /nfs/dbraw/zinc/36/02/08/558360208.db2.gz VWOLCJHMZQKSQC-HXUWFJFHSA-N 1 1 409.596 1.239 50 0 HDAAMO COC(=O)c1cccc(C(=O)N2CCC[C@@H](CCC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000020534608 558385577 /nfs/dbraw/zinc/38/55/77/558385577.db2.gz FUMLYXCLSPZXTM-KRWDZBQOSA-N 1 1 401.507 1.880 50 0 HDAAMO COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000020668367 558398164 /nfs/dbraw/zinc/39/81/64/558398164.db2.gz SFVCBJWXRSEHCM-UHFFFAOYSA-N 1 1 423.579 1.993 50 0 HDAAMO COC(=O)c1ccc(-c2noc(C[NH+]3CCC(C(=O)N4CCOCC4)CC3)n2)cc1 ZINC000012701293 558447751 /nfs/dbraw/zinc/44/77/51/558447751.db2.gz UBFPBOGRQNZZID-UHFFFAOYSA-N 1 1 414.462 1.594 50 0 HDAAMO COc1ccc(C[C@@]2(CCC(=O)NCCC[NH+]3CCOCC3)CCC(=O)N2)c(F)c1 ZINC000023129442 558536894 /nfs/dbraw/zinc/53/68/94/558536894.db2.gz GUQYOPARSUTHFA-JOCHJYFZSA-N 1 1 421.513 1.644 50 0 HDAAMO CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000023238795 558544880 /nfs/dbraw/zinc/54/48/80/558544880.db2.gz DFDKZZPYZMOHJB-KRWDZBQOSA-N 1 1 417.959 1.481 50 0 HDAAMO COc1ccc(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000024523116 558600105 /nfs/dbraw/zinc/60/01/05/558600105.db2.gz QDQIOPARKHOTGL-UHFFFAOYSA-N 1 1 417.531 1.973 50 0 HDAAMO Cc1cccc(C[NH+]2CCN(C(=O)CN3Cc4ccccc4C[C@H]3C(N)=O)CC2)c1 ZINC000014070354 558617491 /nfs/dbraw/zinc/61/74/91/558617491.db2.gz FPGINHCCWPABRP-QFIPXVFZSA-N 1 1 406.530 1.551 50 0 HDAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3cccc(S(C)(=O)=O)c3)c2C(N)=O)C1 ZINC000004517905 558641159 /nfs/dbraw/zinc/64/11/59/558641159.db2.gz UVWIATOIQGREHQ-UHFFFAOYSA-N 1 1 407.517 1.881 50 0 HDAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3cccc(S(C)(=O)=O)c3)c2C(N)=O)C1 ZINC000004517905 558641161 /nfs/dbraw/zinc/64/11/61/558641161.db2.gz UVWIATOIQGREHQ-UHFFFAOYSA-N 1 1 407.517 1.881 50 0 HDAAMO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000026308507 558658961 /nfs/dbraw/zinc/65/89/61/558658961.db2.gz HLIPSQABCVIUNP-FXAWDEMLSA-N 1 1 422.957 1.909 50 0 HDAAMO O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1)N1CCN(c2ccccc2F)CC1 ZINC000026308397 558659056 /nfs/dbraw/zinc/65/90/56/558659056.db2.gz AONGEBLOPCZMPM-YLJYHZDGSA-N 1 1 406.502 1.395 50 0 HDAAMO COC(=O)[C@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@@H+](CC1CC1)CC2 ZINC000014881656 558676213 /nfs/dbraw/zinc/67/62/13/558676213.db2.gz YJVVYMSBJHTYFY-QGZVFWFLSA-N 1 1 417.506 1.293 50 0 HDAAMO CCn1nc(C)c(CNC(=O)C[C@@H]2C(=O)NCC[N@H+]2CCCc2ccccc2)c1C ZINC000014959038 558683442 /nfs/dbraw/zinc/68/34/42/558683442.db2.gz DJZHEURKRBHOIO-OAQYLSRUSA-N 1 1 411.550 1.959 50 0 HDAAMO CCn1nc(C)c(CNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2CCCc2ccccc2)c1C ZINC000014959038 558683444 /nfs/dbraw/zinc/68/34/44/558683444.db2.gz DJZHEURKRBHOIO-OAQYLSRUSA-N 1 1 411.550 1.959 50 0 HDAAMO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000015021671 558703312 /nfs/dbraw/zinc/70/33/12/558703312.db2.gz BIFWRLIMBVQLOC-NSNOHRKYSA-N 1 1 417.421 1.847 50 0 biogenic HDAAMO CC(C)N(Cc1nccn1C)C(=O)[C@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000015071503 558713281 /nfs/dbraw/zinc/71/32/81/558713281.db2.gz OLGIJCITPOUYCM-SFHVURJKSA-N 1 1 405.543 1.118 50 0 HDAAMO O=C(CCN(CCC[NH+]1CCCCC1)C(=O)c1ccc(F)cc1)N1CCNCC1 ZINC000035422006 558791480 /nfs/dbraw/zinc/79/14/80/558791480.db2.gz HANCRCPAIDGWSD-UHFFFAOYSA-N 1 1 404.530 1.966 50 0 HDAAMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000016695065 558800860 /nfs/dbraw/zinc/80/08/60/558800860.db2.gz GJDJWVDAOCTMHY-GOEBONIOSA-N 1 1 419.503 1.283 50 0 HDAAMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000016695065 558800862 /nfs/dbraw/zinc/80/08/62/558800862.db2.gz GJDJWVDAOCTMHY-GOEBONIOSA-N 1 1 419.503 1.283 50 0 HDAAMO O=C([C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000032987882 558807747 /nfs/dbraw/zinc/80/77/47/558807747.db2.gz MAUZSNXUULSGGH-FUHWJXTLSA-N 1 1 415.490 1.134 50 0 HDAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCCN(c2nc3ncccc3n3cccc23)C1 ZINC000033018777 558834779 /nfs/dbraw/zinc/83/47/79/558834779.db2.gz YRTMRWJYTMIGJR-GOSISDBHSA-N 1 1 422.533 1.937 50 0 HDAAMO O=C(CN1C(=O)CSC1=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000055154796 558874440 /nfs/dbraw/zinc/87/44/40/558874440.db2.gz AVDIOLSKBDJARJ-HNNXBMFYSA-N 1 1 420.510 1.634 50 0 HDAAMO Cc1cnc(C)nc1N1CCC([N@H+]2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071576202 558905470 /nfs/dbraw/zinc/90/54/70/558905470.db2.gz QWDFJESMQJFSDE-IBGZPJMESA-N 1 1 400.571 1.548 50 0 HDAAMO CNc1nc(C)cc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1 ZINC000071639508 558906074 /nfs/dbraw/zinc/90/60/74/558906074.db2.gz XOKYTBSGDAVLGP-KRWDZBQOSA-N 1 1 402.543 1.366 50 0 HDAAMO CNc1nc(C)cc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1 ZINC000071639508 558906078 /nfs/dbraw/zinc/90/60/78/558906078.db2.gz XOKYTBSGDAVLGP-KRWDZBQOSA-N 1 1 402.543 1.366 50 0 HDAAMO CC(C)c1nc(CNC(=O)[C@@H]2CCC[N@H+](C3CCN(C(=O)C4CC4)CC3)C2)no1 ZINC000071747199 558908673 /nfs/dbraw/zinc/90/86/73/558908673.db2.gz HYARZGWTNUTCQT-MRXNPFEDSA-N 1 1 403.527 1.922 50 0 HDAAMO Cc1ccc(CC(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C2CCCCC2)cc1 ZINC000064605606 558964693 /nfs/dbraw/zinc/96/46/93/558964693.db2.gz VLVVWSUBOWTSRD-UHFFFAOYSA-N 1 1 407.580 1.934 50 0 HDAAMO CCNc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)[nH+]c(C)n1 ZINC000065364231 558975368 /nfs/dbraw/zinc/97/53/68/558975368.db2.gz UTCGDZQRWFYOKX-UHFFFAOYSA-N 1 1 419.507 1.499 50 0 HDAAMO O=C(Cn1cnc2ccccc21)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000072446800 558982445 /nfs/dbraw/zinc/98/24/45/558982445.db2.gz LXXLNHROJHZZLS-UHFFFAOYSA-N 1 1 407.478 1.012 50 0 HDAAMO O=C1N(CCc2ccccc2)CCC[C@]1(O)C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000067804806 558993213 /nfs/dbraw/zinc/99/32/13/558993213.db2.gz GWPTUYJGIZHFKC-QHCPKHFHSA-N 1 1 409.534 1.585 50 0 HDAAMO O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000082086704 559036818 /nfs/dbraw/zinc/03/68/18/559036818.db2.gz LCINHSVUOVRAPN-MRXNPFEDSA-N 1 1 406.552 1.366 50 0 HDAAMO O=C(NCCN1CCOCC1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082099705 559038097 /nfs/dbraw/zinc/03/80/97/559038097.db2.gz LOCMCFNQGURIMS-OAQYLSRUSA-N 1 1 415.582 1.206 50 0 HDAAMO CC(C)NC(=O)CN1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082121087 559039600 /nfs/dbraw/zinc/03/96/00/559039600.db2.gz ZVIJJXDKNJGUEJ-SFHVURJKSA-N 1 1 401.555 1.399 50 0 HDAAMO O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CCN(CCN3CCCC3=O)CC2)C1 ZINC000082121852 559039643 /nfs/dbraw/zinc/03/96/43/559039643.db2.gz JJEOXYHNRPTMBK-LJQANCHMSA-N 1 1 413.566 1.497 50 0 HDAAMO Cn1nccc1C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082127469 559040050 /nfs/dbraw/zinc/04/00/50/559040050.db2.gz IGPNENHWBRVIEJ-KRWDZBQOSA-N 1 1 410.522 1.448 50 0 HDAAMO CC(C)(NC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)C(N)=O ZINC000091462129 559071631 /nfs/dbraw/zinc/07/16/31/559071631.db2.gz ZZCPIQZYDMVLJW-LJQANCHMSA-N 1 1 412.578 1.710 50 0 HDAAMO CC(C)(NC(=O)[C@@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1)C(N)=O ZINC000091462129 559071633 /nfs/dbraw/zinc/07/16/33/559071633.db2.gz ZZCPIQZYDMVLJW-LJQANCHMSA-N 1 1 412.578 1.710 50 0 HDAAMO CC(C)(NC(=O)[C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1)C(N)=O ZINC000091462129 559071635 /nfs/dbraw/zinc/07/16/35/559071635.db2.gz ZZCPIQZYDMVLJW-LJQANCHMSA-N 1 1 412.578 1.710 50 0 HDAAMO Cc1[nH+]c(N2CCCC2)nc(N2CC[C@@]3(O)CCN(C(=O)N(C)C)C[C@H]3C2)c1C ZINC000095381222 559080576 /nfs/dbraw/zinc/08/05/76/559080576.db2.gz VKOUSAUYOBCXQL-DYESRHJHSA-N 1 1 402.543 1.638 50 0 HDAAMO O=C(CSc1nnnn1-c1ccc(O)cc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000014238833 559161501 /nfs/dbraw/zinc/16/15/01/559161501.db2.gz NWWJPQXAMURYEF-MRXNPFEDSA-N 1 1 410.503 1.851 50 0 HDAAMO O=C(NCCc1cnc[nH]1)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O ZINC000409413674 559250795 /nfs/dbraw/zinc/25/07/95/559250795.db2.gz KBMJHAHKABQLDW-IBGZPJMESA-N 1 1 403.442 1.968 50 0 biogenic HDAAMO COc1ccc(NC(=O)C(=O)NC[C@@H](c2cccn2C)[NH+]2CCCC2)cc1OC ZINC000011898286 559265470 /nfs/dbraw/zinc/26/54/70/559265470.db2.gz VFSQGKSJBUXLSC-KRWDZBQOSA-N 1 1 400.479 1.934 50 0 HDAAMO O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000018217076 560784944 /nfs/dbraw/zinc/78/49/44/560784944.db2.gz PDGXDJJDIMWAFX-UHFFFAOYSA-N 1 1 408.458 1.251 50 0 HDAAMO Cc1ccc2c(c1)[C@]1([NH2+][C@@H]([C@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000105382075 560871581 /nfs/dbraw/zinc/87/15/81/560871581.db2.gz ZLFRPPKFEDWYLX-JSFVJHESSA-N 1 1 419.481 1.339 50 0 biogenic HDAAMO COc1ccc(OC[C@@H](O)C[N@@H+](CCO)C[C@@H](O)Cn2ccc3ccccc32)cc1 ZINC000012080506 560889059 /nfs/dbraw/zinc/88/90/59/560889059.db2.gz RDLCNKMHHWWUDK-UXHICEINSA-N 1 1 414.502 1.745 50 0 HDAAMO COc1cccc(C[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)n2nnnc2C)c1 ZINC000048299594 568437150 /nfs/dbraw/zinc/43/71/50/568437150.db2.gz JFUSYYOXRSEDNA-UXHICEINSA-N 1 1 416.526 1.247 50 0 HDAAMO Cn1ccnc1C(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000049543636 568451164 /nfs/dbraw/zinc/45/11/64/568451164.db2.gz JOLWOGOITWIEIO-HKUYNNGSSA-N 1 1 423.517 1.970 50 0 biogenic HDAAMO CCn1cc(C(=O)NCCC[NH+]2CCN(C)CC2)c2cc(OC)c(OC)cc2c1=O ZINC000020116471 568589522 /nfs/dbraw/zinc/58/95/22/568589522.db2.gz JSRHMHAGUAQTBC-UHFFFAOYSA-N 1 1 416.522 1.406 50 0 HDAAMO C[C@H](NC(=O)C(=O)NCc1ccccn1)[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000020287709 568597226 /nfs/dbraw/zinc/59/72/26/568597226.db2.gz HRPFBQREVSLFMK-MAUKXSAKSA-N 1 1 401.536 1.253 50 0 HDAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NC(=O)C(=O)NCc2cccnc2)CC1 ZINC000020287982 568597449 /nfs/dbraw/zinc/59/74/49/568597449.db2.gz QAHTZUPBVJBUKB-LPHOPBHVSA-N 1 1 415.563 1.643 50 0 HDAAMO C[N@H+]1CCN2c3ccccc3C[C@]3(C(=O)NC(=O)N(CCc4ccccc4)C3=O)[C@@H]2C1 ZINC000095346235 568600084 /nfs/dbraw/zinc/60/00/84/568600084.db2.gz RZBBJXPUMQNBCQ-GBXCKJPGSA-N 1 1 418.497 1.671 50 0 HDAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000020611047 568637233 /nfs/dbraw/zinc/63/72/33/568637233.db2.gz GVZBCTQZBYHBOZ-XQNUDUSMSA-N 1 1 424.501 1.232 50 0 biogenic HDAAMO Cc1nn(CCCC(=O)NCCC[NH+]2CCOCC2)c(=O)c2cc3occc3n21 ZINC000020866444 568646733 /nfs/dbraw/zinc/64/67/33/568646733.db2.gz NYQHCKAUYYGSKN-UHFFFAOYSA-N 1 1 401.467 1.169 50 0 HDAAMO COc1ccc2nnc(CCCC(=O)N3CC[NH+](CCc4ccccn4)CC3)n2n1 ZINC000096118688 568698378 /nfs/dbraw/zinc/69/83/78/568698378.db2.gz RNTLAORSRPVLDS-UHFFFAOYSA-N 1 1 409.494 1.238 50 0 HDAAMO CCOC(=O)C1=C(C[NH2+]CCN2CCOCC2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000096299608 568722744 /nfs/dbraw/zinc/72/27/44/568722744.db2.gz SVNFNMQDMIJRCH-HXUWFJFHSA-N 1 1 416.522 1.396 50 0 HDAAMO CC[N@@H+](CCn1cccn1)Cc1ccc(OC[C@@H](O)CN2CCOCC2)c(OC)c1 ZINC000012717708 568918091 /nfs/dbraw/zinc/91/80/91/568918091.db2.gz ZZOXACJBEXDMGY-FQEVSTJZSA-N 1 1 418.538 1.486 50 0 HDAAMO COc1ccc(C(N)=O)c(OCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000031781678 568931025 /nfs/dbraw/zinc/93/10/25/568931025.db2.gz IXYAPRLCRVEZTI-UHFFFAOYSA-N 1 1 405.495 1.324 50 0 HDAAMO O=C(Cn1c(=O)oc2ccccc21)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670462974 568953291 /nfs/dbraw/zinc/95/32/91/568953291.db2.gz UWQDVROMTFPFPT-NZAVSEOKSA-N 1 1 418.497 1.278 50 0 HDAAMO CCOC(=O)C1CCN(c2nc(NC)[nH+]c(N3CCC(C(=O)OCC)CC3)n2)CC1 ZINC000084792568 568959698 /nfs/dbraw/zinc/95/96/98/568959698.db2.gz NMOAVDLZOYVPOH-UHFFFAOYSA-N 1 1 420.514 1.472 50 0 HDAAMO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000007985797 568964527 /nfs/dbraw/zinc/96/45/27/568964527.db2.gz WHQSTGILLKJOJP-CVEARBPZSA-N 1 1 418.991 1.651 50 0 HDAAMO CCOc1ccc(C(=O)N(CC[N@@H+]2CCCC[C@H]2C)CC(=O)N2CCNCC2)cc1 ZINC000015864154 569016458 /nfs/dbraw/zinc/01/64/58/569016458.db2.gz PUYFPYYCHVWXDF-LJQANCHMSA-N 1 1 416.566 1.834 50 0 HDAAMO CCOc1ccc(C(=O)N(CC[N@H+]2CCCC[C@H]2C)CC(=O)N2CCNCC2)cc1 ZINC000015864154 569016459 /nfs/dbraw/zinc/01/64/59/569016459.db2.gz PUYFPYYCHVWXDF-LJQANCHMSA-N 1 1 416.566 1.834 50 0 HDAAMO CN1CC[NH+](CCCNC(=O)[C@@H]2CCCN(c3nc4cccnc4s3)C2)CC1 ZINC000035505254 569040872 /nfs/dbraw/zinc/04/08/72/569040872.db2.gz OBOXBMNDRCLRJA-MRXNPFEDSA-N 1 1 402.568 1.661 50 0 HDAAMO COc1cc(C[NH2+][C@H]2CC[C@H](O)CC2)ccc1OC[C@H](O)CN1CCSCC1 ZINC000243957144 569055088 /nfs/dbraw/zinc/05/50/88/569055088.db2.gz CGMZEBYHGDFWTD-GUDVDZBRSA-N 1 1 410.580 1.877 50 0 HDAAMO CCCCN1CCn2nc(CNC(=O)c3cn(C[C@H]4CCC[NH2+]C4)nn3)cc2C1 ZINC000426369234 569072512 /nfs/dbraw/zinc/07/25/12/569072512.db2.gz NQTILLBKYGBJEO-INIZCTEOSA-N 1 1 400.531 1.020 50 0 HDAAMO Cc1cccc(CN2CCC[C@@]3(CC[N@@H+](Cc4cc(=O)n5[nH]cnc5n4)C3)C2=O)c1 ZINC000426465103 569073084 /nfs/dbraw/zinc/07/30/84/569073084.db2.gz DZQJAYOLSFQEEQ-QFIPXVFZSA-N 1 1 406.490 1.741 50 0 HDAAMO COc1ccc(CCNC(=O)CCc2c(C)nc3nc(C[NH3+])nn3c2C)cc1OC ZINC000006808284 569132429 /nfs/dbraw/zinc/13/24/29/569132429.db2.gz ONXOIAAVRUZNPK-UHFFFAOYSA-N 1 1 412.494 1.509 50 0 HDAAMO Cn1c2ccc(NC(=O)C(=O)NCCC[NH+]3CCOCC3)cc2nc1C(F)(F)F ZINC000036367204 569152877 /nfs/dbraw/zinc/15/28/77/569152877.db2.gz JLWGXEXLKDSIBV-UHFFFAOYSA-N 1 1 413.400 1.369 50 0 HDAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCc2sc(C(=O)N3CCCC3)cc2C1 ZINC000065272855 569215922 /nfs/dbraw/zinc/21/59/22/569215922.db2.gz DWESTUUREPHQLU-MRXNPFEDSA-N 1 1 405.564 1.928 50 0 HDAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)C1 ZINC000089983577 569271087 /nfs/dbraw/zinc/27/10/87/569271087.db2.gz KAKBRCAFPJBMSO-GOSISDBHSA-N 1 1 420.506 1.708 50 0 HDAAMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000170645332 569292047 /nfs/dbraw/zinc/29/20/47/569292047.db2.gz BDEAKUSBFYUAKV-KRWDZBQOSA-N 1 1 404.536 1.657 50 0 HDAAMO CC(C)C[NH+]1CCN([C@H]2CCOC3(CCN(C(=O)c4cnccn4)CC3)C2)CC1 ZINC000581820135 569320880 /nfs/dbraw/zinc/32/08/80/569320880.db2.gz UJBIRKXMEBLLCS-IBGZPJMESA-N 1 1 401.555 1.904 50 0 HDAAMO O=C([C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1)N1CC[NH+](C2CC2)CC1 ZINC000253427151 569368498 /nfs/dbraw/zinc/36/84/98/569368498.db2.gz LIXGAWSVIKCOOE-MRXNPFEDSA-N 1 1 413.927 1.036 50 0 HDAAMO COc1cccc(CC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccccc2)c1 ZINC000013371282 569412879 /nfs/dbraw/zinc/41/28/79/569412879.db2.gz ZPQFNGIHVRFDQY-OALUTQOASA-N 1 1 409.529 1.467 50 0 HDAAMO CN(CC(=O)NCc1cccs1)C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000078806600 569420581 /nfs/dbraw/zinc/42/05/81/569420581.db2.gz 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CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CCCN(CC(=O)NC(C)(C)C)CC2)c1 ZINC000039791949 571134262 /nfs/dbraw/zinc/13/42/62/571134262.db2.gz AIICIEJGHLEMPO-LJQANCHMSA-N 1 1 405.539 1.551 50 0 HDAAMO CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CCCN(CC(=O)NC(C)(C)C)CC2)c1 ZINC000039791949 571134265 /nfs/dbraw/zinc/13/42/65/571134265.db2.gz AIICIEJGHLEMPO-LJQANCHMSA-N 1 1 405.539 1.551 50 0 HDAAMO COc1ccc(C[N@H+]2CCCN(C(=O)CCn3cnc4c(cnn4C)c3=O)CC2)cc1 ZINC000040086989 571157562 /nfs/dbraw/zinc/15/75/62/571157562.db2.gz OKSFQITYCXHDLW-UHFFFAOYSA-N 1 1 424.505 1.263 50 0 HDAAMO Cn1c(N)c(C(=O)C[N@@H+](Cc2ccc(F)cc2)C2CCCCC2)c(=O)n(C)c1=O ZINC000009530643 571266793 /nfs/dbraw/zinc/26/67/93/571266793.db2.gz QKJVZFHWSWDNGY-UHFFFAOYSA-N 1 1 402.470 1.823 50 0 HDAAMO CC1=NN(CC[N@@H+](C)Cc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C ZINC000010108931 571295221 /nfs/dbraw/zinc/29/52/21/571295221.db2.gz WVQWXAFHYGFDFL-OAHLLOKOSA-N 1 1 409.494 1.323 50 0 HDAAMO Cc1cc(C)cc(N2CCN(C(=O)C[C@@H]3C(=O)NCC[N@H+]3C3CCCC3)CC2=O)c1 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Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)N1CC[NH+](C)CC1 ZINC000019828681 558291427 /nfs/dbraw/zinc/29/14/27/558291427.db2.gz PWDYPMSGAKVAEM-UHFFFAOYSA-N 1 1 403.504 1.949 50 0 HDAAMO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)cc1Cl ZINC000019900213 558305134 /nfs/dbraw/zinc/30/51/34/558305134.db2.gz LIGQDQQUJSEIQD-AWEZNQCLSA-N 1 1 415.943 1.523 50 0 HDAAMO Nc1c(C(=O)NC[C@@H]2CCCO2)c2nc3ccccc3nc2n1CC[NH+]1CCOCC1 ZINC000019939384 558313446 /nfs/dbraw/zinc/31/34/46/558313446.db2.gz VXGKHQYBSXAKCM-HNNXBMFYSA-N 1 1 424.505 1.408 50 0 HDAAMO COc1cc2c(cc1OC)[C@@H](C(=O)N1CC[NH+](C)CC1)[C@@H](c1cccnc1)N(C)C2=O ZINC000020113759 558336534 /nfs/dbraw/zinc/33/65/34/558336534.db2.gz FWFMFHMLBZHBQV-NHCUHLMSSA-N 1 1 424.501 1.783 50 0 HDAAMO Nc1ncc(C[N@@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cn1 ZINC000020325173 558355621 /nfs/dbraw/zinc/35/56/21/558355621.db2.gz BQABYQVYJGMYCY-LJQANCHMSA-N 1 1 410.522 1.570 50 0 HDAAMO Nc1ncc(C[N@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cn1 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DDQPYZZZZHDNOT-UHFFFAOYSA-N 1 1 418.497 1.631 50 0 HDAAMO C[n+]1ccc(-c2csc(SC3=C(C(=O)[O-])N4C(=O)[C@@H]([NH3+])[C@H]4SC3)n2)cc1 ZINC000139175737 558748332 /nfs/dbraw/zinc/74/83/32/558748332.db2.gz PUUMVEONCSAXQQ-BXUZGUMPSA-O 1 1 407.522 1.265 50 0 HDAAMO Cc1nc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc(N2CCOCC2)[nH+]1 ZINC000033318435 558766280 /nfs/dbraw/zinc/76/62/80/558766280.db2.gz YNUWXVXAJAOEKG-UHFFFAOYSA-N 1 1 421.498 1.272 50 0 HDAAMO COc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000035422048 558791689 /nfs/dbraw/zinc/79/16/89/558791689.db2.gz AIGSOMFPTKTKBQ-LJQANCHMSA-N 1 1 416.566 1.834 50 0 HDAAMO COc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2CCCC[C@H]2C)cc1 ZINC000035422048 558791692 /nfs/dbraw/zinc/79/16/92/558791692.db2.gz AIGSOMFPTKTKBQ-LJQANCHMSA-N 1 1 416.566 1.834 50 0 HDAAMO COc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2CCCCC2)cc1 ZINC000035422065 558791757 /nfs/dbraw/zinc/79/17/57/558791757.db2.gz TXPUIIDSJAISLT-UHFFFAOYSA-N 1 1 402.539 1.445 50 0 HDAAMO C[N@H+]1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@@H]2C1 ZINC000016976293 558810919 /nfs/dbraw/zinc/81/09/19/558810919.db2.gz GAPJEHCZNLQGOM-YWZLYKJASA-N 1 1 404.898 1.880 50 0 HDAAMO CC1CCN(c2ncc3c(n2)CC[C@H](C(=O)NCCC[NH+]2CCOCC2)C3)CC1 ZINC000065289478 558838376 /nfs/dbraw/zinc/83/83/76/558838376.db2.gz HPOSHHCBAMLJDE-SFHVURJKSA-N 1 1 401.555 1.656 50 0 HDAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000013572336 558844727 /nfs/dbraw/zinc/84/47/27/558844727.db2.gz KYBSGTWCHDEYMC-PLCXRCKASA-N 1 1 405.882 1.548 50 0 HDAAMO Cc1nc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000049025930 558847682 /nfs/dbraw/zinc/84/76/82/558847682.db2.gz FSKABJVTRRCMBF-UHFFFAOYSA-N 1 1 417.535 1.274 50 0 HDAAMO COc1ccc(S(=O)(=O)NCC2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000013693221 558856291 /nfs/dbraw/zinc/85/62/91/558856291.db2.gz BEIQBSSPDGBMLF-UHFFFAOYSA-N 1 1 409.552 1.554 50 0 HDAAMO 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ZINC000061969707 558947412 /nfs/dbraw/zinc/94/74/12/558947412.db2.gz JZURRGUTMSIYEZ-KRWDZBQOSA-N 1 1 413.522 1.416 50 0 HDAAMO COc1ccc(C)cc1S(=O)(=O)NCCNc1cc(-n2ccnc2C)nc(C)[nH+]1 ZINC000065363254 558974135 /nfs/dbraw/zinc/97/41/35/558974135.db2.gz UEQPOVPELMDYLQ-UHFFFAOYSA-N 1 1 416.507 1.987 50 0 HDAAMO Cc1nc(NCCNS(=O)(=O)c2cccc(Cl)c2)cc(N2CCOCC2)[nH+]1 ZINC000065363798 558974951 /nfs/dbraw/zinc/97/49/51/558974951.db2.gz LDSCURIGTHRVIR-UHFFFAOYSA-N 1 1 411.915 1.665 50 0 HDAAMO CCn1c2ccccc2n(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(=O)c1=O ZINC000021943940 558979764 /nfs/dbraw/zinc/97/97/64/558979764.db2.gz HUBCSDMXIILPNP-UHFFFAOYSA-N 1 1 406.486 1.528 50 0 HDAAMO C[NH+]1CCN(c2cc(N3CCN(C(=O)Cc4ccc(Cl)cc4)CC3)ncn2)CC1 ZINC000072437439 558980826 /nfs/dbraw/zinc/98/08/26/558980826.db2.gz YQFLKTFLRCYGDM-UHFFFAOYSA-N 1 1 414.941 1.773 50 0 HDAAMO COc1cccc(CN2CCC[C@@](O)(C[NH+]3CC(n4cccn4)C3)C2=O)c1OC ZINC000067490238 558986970 /nfs/dbraw/zinc/98/69/70/558986970.db2.gz LQDDVFIETZEOPX-OAQYLSRUSA-N 1 1 400.479 1.311 50 0 HDAAMO Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2cc(-n3ccnc3)nc(C)[nH+]2)CC1 ZINC000067604804 558988690 /nfs/dbraw/zinc/98/86/90/558988690.db2.gz RNUPZFKPMNXXLQ-UHFFFAOYSA-N 1 1 416.482 1.929 50 0 HDAAMO Cc1[nH+]ccn1-c1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ncn1 ZINC000067621285 558989667 /nfs/dbraw/zinc/98/96/67/558989667.db2.gz FUQOJUOPWXHWLR-UHFFFAOYSA-N 1 1 402.455 1.621 50 0 HDAAMO COc1cccc(CNC(=O)N2CCC[N@@H+]([C@@H]3CCN(CC4CC4)C3=O)CC2)c1 ZINC000097097073 558992174 /nfs/dbraw/zinc/99/21/74/558992174.db2.gz ZLRDJVRSJADRDJ-HXUWFJFHSA-N 1 1 400.523 1.923 50 0 HDAAMO COc1cccc(CNC(=O)N2CCC[N@H+]([C@@H]3CCN(CC4CC4)C3=O)CC2)c1 ZINC000097097073 558992175 /nfs/dbraw/zinc/99/21/75/558992175.db2.gz ZLRDJVRSJADRDJ-HXUWFJFHSA-N 1 1 400.523 1.923 50 0 HDAAMO CC[NH+]1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CCOc5ccccc5)C(=O)[C@@H]24)O3)CC1 ZINC000077453029 559005588 /nfs/dbraw/zinc/00/55/88/559005588.db2.gz CIMFRZPUIXFECD-GJPOJAMWSA-N 1 1 411.502 1.012 50 0 HDAAMO 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ZINC000082230622 559042890 /nfs/dbraw/zinc/04/28/90/559042890.db2.gz QQBXVHLICQMWKP-UHFFFAOYSA-N 1 1 403.508 1.596 50 0 HDAAMO Cc1n[nH]c(CCC(=O)N2CCC3(CCC(=O)N([C@H]4CC[N@H+](C)C4)C3)CC2)c1C ZINC000095519760 559085129 /nfs/dbraw/zinc/08/51/29/559085129.db2.gz MAAMTUXLEQXNFJ-SFHVURJKSA-N 1 1 401.555 1.894 50 0 HDAAMO Cc1[nH]nc(CCC(=O)N2CCC3(CCC(=O)N([C@H]4CC[N@@H+](C)C4)C3)CC2)c1C ZINC000095519760 559085130 /nfs/dbraw/zinc/08/51/30/559085130.db2.gz MAAMTUXLEQXNFJ-SFHVURJKSA-N 1 1 401.555 1.894 50 0 HDAAMO Cc1[nH]nc(CCC(=O)N2CCC3(CCC(=O)N([C@H]4CC[N@H+](C)C4)C3)CC2)c1C ZINC000095519760 559085131 /nfs/dbraw/zinc/08/51/31/559085131.db2.gz MAAMTUXLEQXNFJ-SFHVURJKSA-N 1 1 401.555 1.894 50 0 HDAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1CCCc1ccccc1)NCCCOc1cccnc1 ZINC000011665204 559143607 /nfs/dbraw/zinc/14/36/07/559143607.db2.gz AYZSFGLGIAHFAK-NRFANRHFSA-N 1 1 410.518 1.790 50 0 HDAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1)NCCCOc1cccnc1 ZINC000011665204 559143609 /nfs/dbraw/zinc/14/36/09/559143609.db2.gz AYZSFGLGIAHFAK-NRFANRHFSA-N 1 1 410.518 1.790 50 0 HDAAMO COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCC[N@@H+](C)CC3)[C@@H]4C2=O)c1 ZINC000107129882 559164571 /nfs/dbraw/zinc/16/45/71/559164571.db2.gz XAZNPQAJTJXJBZ-GJPOJAMWSA-N 1 1 411.502 1.141 50 0 HDAAMO Cn1c2nc(N3CC[NH+](C)CC3)n(Cc3c(F)cccc3Cl)c2c(=O)n(C)c1=O ZINC000005126039 559248396 /nfs/dbraw/zinc/24/83/96/559248396.db2.gz CEXZWGHAPLTFNJ-UHFFFAOYSA-N 1 1 420.876 1.026 50 0 HDAAMO C[N@H+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)[C@@H](c2ccccc2)C1 ZINC000013148598 560885552 /nfs/dbraw/zinc/88/55/52/560885552.db2.gz IABFTIYQIXWOEY-LJQANCHMSA-N 1 1 402.520 1.596 50 0 HDAAMO Cn1c2ccc(S(=O)(=O)NC[C@@H](c3ccc4c(c3)OCO4)[NH+](C)C)cc2oc1=O ZINC000012196717 560891620 /nfs/dbraw/zinc/89/16/20/560891620.db2.gz NZRASAOHRTZWDN-HNNXBMFYSA-N 1 1 419.459 1.441 50 0 HDAAMO CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000108138684 560897917 /nfs/dbraw/zinc/89/79/17/560897917.db2.gz 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ZINC000067225905 569004054 /nfs/dbraw/zinc/00/40/54/569004054.db2.gz VPUDGMIYGKRHIT-HUUCEWRRSA-N 1 1 418.567 1.499 50 0 HDAAMO COC1CC[NH+](C2CN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C2)CC1 ZINC000575611052 569032411 /nfs/dbraw/zinc/03/24/11/569032411.db2.gz RWVZKLFZZRYCQZ-UHFFFAOYSA-N 1 1 407.536 1.406 50 0 HDAAMO CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)N3CC[NH+](CC)CC3)n2C)c1 ZINC000035560962 569044996 /nfs/dbraw/zinc/04/49/96/569044996.db2.gz RMLDDHCESOZROH-UHFFFAOYSA-N 1 1 406.552 1.987 50 0 HDAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H]([C@H](C)O)[NH2+][C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@H]2C1=O ZINC000245255902 569055529 /nfs/dbraw/zinc/05/55/29/569055529.db2.gz MHUDSBSAPUUZHC-UNDAKJRMSA-N 1 1 405.882 1.548 50 0 HDAAMO C[N@H+]1CCN2c3ccccc3C[C@]3(C(=O)NC(=O)N(CCc4ccccc4)C3=O)[C@H]2C1 ZINC000245328134 569055962 /nfs/dbraw/zinc/05/59/62/569055962.db2.gz RZBBJXPUMQNBCQ-HYBUGGRVSA-N 1 1 418.497 1.671 50 0 HDAAMO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](CCC(=O)N(C)C)C3)C2=O)c1OC ZINC000426701546 569073908 /nfs/dbraw/zinc/07/39/08/569073908.db2.gz DCDPCEGQIUYGKB-QFIPXVFZSA-N 1 1 403.523 1.997 50 0 HDAAMO CCCC[N@H+]1CCn2nc(CNS(=O)(=O)N3CCc4ccccc4C3)cc2C1 ZINC000426701477 569073943 /nfs/dbraw/zinc/07/39/43/569073943.db2.gz SPMLYMVKUOGDCN-UHFFFAOYSA-N 1 1 403.552 1.892 50 0 HDAAMO CCC[NH+]1CCN(C(=O)c2cc(=O)nc3sc(N4CCC(C)CC4)nn32)CC1 ZINC000064836349 569104680 /nfs/dbraw/zinc/10/46/80/569104680.db2.gz SYZODVLLQPVHJX-UHFFFAOYSA-N 1 1 404.540 1.555 50 0 HDAAMO C[NH+]1CCN(c2ncncc2N2CCC(C(=O)NCc3cccc(F)c3)CC2)CC1 ZINC000065226835 569200043 /nfs/dbraw/zinc/20/00/43/569200043.db2.gz KEEBHLSLKVIWGM-UHFFFAOYSA-N 1 1 412.513 1.900 50 0 HDAAMO COCC[N@@H+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000170606274 569244374 /nfs/dbraw/zinc/24/43/74/569244374.db2.gz WZRFJCCUCDCRHF-CQSZACIVSA-N 1 1 419.569 1.378 50 0 HDAAMO Cc1ccc(CNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(-n2cncn2)n1 ZINC000170607810 569244652 /nfs/dbraw/zinc/24/46/52/569244652.db2.gz OCKNOHYQPBPTDC-FQEVSTJZSA-N 1 1 406.490 1.878 50 0 HDAAMO Cc1ccc(CNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(-n2cncn2)n1 ZINC000170607810 569244654 /nfs/dbraw/zinc/24/46/54/569244654.db2.gz OCKNOHYQPBPTDC-FQEVSTJZSA-N 1 1 406.490 1.878 50 0 HDAAMO CCCc1[nH+]ccn1CC(=O)N(CCC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000089960536 569270087 /nfs/dbraw/zinc/27/00/87/569270087.db2.gz DKRJVXVIEDBYSP-UHFFFAOYSA-N 1 1 424.505 1.759 50 0 HDAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)C1 ZINC000089983580 569270984 /nfs/dbraw/zinc/27/09/84/569270984.db2.gz KAKBRCAFPJBMSO-SFHVURJKSA-N 1 1 420.506 1.708 50 0 HDAAMO CCOCCN1CCN(c2cc(N3CC[N@H+](CCOCC)[C@H](C)C3)ncn2)C[C@H]1C ZINC000252510851 569291695 /nfs/dbraw/zinc/29/16/95/569291695.db2.gz CGPBELXXEAEBJR-WOJBJXKFSA-N 1 1 420.602 1.571 50 0 HDAAMO CCOCCN1CCN(c2cc(N3CC[N@@H+](CCOCC)[C@H](C)C3)ncn2)C[C@H]1C ZINC000252510851 569291696 /nfs/dbraw/zinc/29/16/96/569291696.db2.gz CGPBELXXEAEBJR-WOJBJXKFSA-N 1 1 420.602 1.571 50 0 HDAAMO O=C(CC[C@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)NCCC[NH+]1CCOCC1 ZINC000252527937 569292630 /nfs/dbraw/zinc/29/26/30/569292630.db2.gz DTVYVKSAZUYZOM-QGZVFWFLSA-N 1 1 422.913 1.584 50 0 HDAAMO CC(C)C[NH+]1CCN([C@H]2CCOC3(CCN(C(=O)c4cnn(C)c4)CC3)C2)CC1 ZINC000581819688 569320732 /nfs/dbraw/zinc/32/07/32/569320732.db2.gz CBMBWWHLGHRZMV-FQEVSTJZSA-N 1 1 403.571 1.848 50 0 HDAAMO COc1ccc(OC[C@@H](O)C[N@@H+](CCO)C[C@H](O)Cn2ccc3ccccc32)cc1 ZINC000002710303 569322315 /nfs/dbraw/zinc/32/23/15/569322315.db2.gz RDLCNKMHHWWUDK-PMACEKPBSA-N 1 1 414.502 1.745 50 0 HDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)CCCn2cncn2)CC1 ZINC000012050800 569399398 /nfs/dbraw/zinc/39/93/98/569399398.db2.gz WEABWPAODKCKRK-IBGZPJMESA-N 1 1 404.559 1.678 50 0 HDAAMO COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+]Cc1ccccc1F ZINC000013139126 569409827 /nfs/dbraw/zinc/40/98/27/569409827.db2.gz QVHGSKIRKFYMGF-UHFFFAOYSA-N 1 1 423.466 1.826 50 0 HDAAMO CCOC(=O)c1c(C)n(CC)c(C)c1/C=C/C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000078963999 569422126 /nfs/dbraw/zinc/42/21/26/569422126.db2.gz BUPPLFGWRYWFBY-HYGBKTPJSA-N 1 1 421.538 1.514 50 0 HDAAMO COC(=O)C[C@@H]1CSCCN1CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000078969515 569422489 /nfs/dbraw/zinc/42/24/89/569422489.db2.gz SBZHPVSSRVDZMF-LJQANCHMSA-N 1 1 405.564 1.620 50 0 HDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)NC4CCC(C)CC4)c(=O)c3s2)CC1 ZINC000067239621 571051704 /nfs/dbraw/zinc/05/17/04/571051704.db2.gz HSSZBMMZYHSZDE-UHFFFAOYSA-N 1 1 418.567 1.690 50 0 HDAAMO CCOC(=O)C1=C(C[NH+]2CCCC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1OC ZINC000067286439 571064556 /nfs/dbraw/zinc/06/45/56/571064556.db2.gz WJKRYVLVMCGIHF-KRWDZBQOSA-N 1 1 419.478 1.979 50 0 HDAAMO CCOC(=O)C1=C(CN2CCC[N@@H+](C)CC2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000067287130 571064938 /nfs/dbraw/zinc/06/49/38/571064938.db2.gz DQFMPJKOAPYFDO-IBGZPJMESA-N 1 1 402.495 1.504 50 0 HDAAMO CCOC(=O)C1C(CN2CCC[N@H+](C)CC2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000067287130 571064940 /nfs/dbraw/zinc/06/49/40/571064940.db2.gz DQFMPJKOAPYFDO-IBGZPJMESA-N 1 1 402.495 1.504 50 0 HDAAMO CCOC(=O)C1C(CN2CCC[N@@H+](C)CC2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000067287130 571064941 /nfs/dbraw/zinc/06/49/41/571064941.db2.gz DQFMPJKOAPYFDO-IBGZPJMESA-N 1 1 402.495 1.504 50 0 HDAAMO CCOC(=O)C1=C(CN2CCC[N@@H+](C)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000067287936 571065612 /nfs/dbraw/zinc/06/56/12/571065612.db2.gz UAUTYSPLDQPKFU-LJQANCHMSA-N 1 1 402.495 1.504 50 0 HDAAMO CCOC(=O)C1C(CN2CCC[N@H+](C)CC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000067287936 571065615 /nfs/dbraw/zinc/06/56/15/571065615.db2.gz UAUTYSPLDQPKFU-LJQANCHMSA-N 1 1 402.495 1.504 50 0 HDAAMO CCOC(=O)C1C(CN2CCC[N@@H+](C)CC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000067287936 571065619 /nfs/dbraw/zinc/06/56/19/571065619.db2.gz UAUTYSPLDQPKFU-LJQANCHMSA-N 1 1 402.495 1.504 50 0 HDAAMO CCOC(=O)C1=C(C[NH+]2CCC(C(N)=O)CC2)NC(=O)N[C@@H]1c1ccccc1OC ZINC000067287468 571065634 /nfs/dbraw/zinc/06/56/34/571065634.db2.gz SRDYGWKZGJESMN-GOSISDBHSA-N 1 1 416.478 1.064 50 0 HDAAMO CCOc1ccccc1[C@H]1NC(=O)NC(CN2CCC[N@@H+](C)CC2)=C1C(=O)OC 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408.458 1.159 50 0 HDAAMO Cc1cccc(CN2CCC[C@]3(CC[N@@H+](Cc4cc(=O)n5[nH]cnc5n4)C3)C2=O)c1 ZINC000426465102 569073122 /nfs/dbraw/zinc/07/31/22/569073122.db2.gz DZQJAYOLSFQEEQ-JOCHJYFZSA-N 1 1 406.490 1.741 50 0 HDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1nnc(Cc2cc(OC)c(OC)c(OC)c2)o1 ZINC000006821573 569140510 /nfs/dbraw/zinc/14/05/10/569140510.db2.gz CSTQOAMSTZYDRY-CQSZACIVSA-N 1 1 404.467 1.900 50 0 HDAAMO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 ZINC000006839829 569151141 /nfs/dbraw/zinc/15/11/41/569151141.db2.gz KMFJQLGSAXNSOA-CQSZACIVSA-N 1 1 402.520 1.979 50 0 HDAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 ZINC000006839829 569151143 /nfs/dbraw/zinc/15/11/43/569151143.db2.gz KMFJQLGSAXNSOA-CQSZACIVSA-N 1 1 402.520 1.979 50 0 HDAAMO CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000006859660 569157259 /nfs/dbraw/zinc/15/72/59/569157259.db2.gz GEWJKVMGPVEAQL-UHFFFAOYSA-N 1 1 410.540 1.161 50 0 HDAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1nnc(-c2ccc(S(=O)(=O)N(C)C)cc2)o1 ZINC000065114009 569180938 /nfs/dbraw/zinc/18/09/38/569180938.db2.gz OLJHWXFWVCGWSQ-AWEZNQCLSA-N 1 1 421.523 1.591 50 0 HDAAMO CC(=O)Nc1ncncc1N1CCC(C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000065226946 569200152 /nfs/dbraw/zinc/20/01/52/569200152.db2.gz WEBIVYBTXIWAER-UHFFFAOYSA-N 1 1 422.533 1.826 50 0 HDAAMO Cc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CC[NH+](C)CC5)n4)ccn3n2)cc1 ZINC000065235800 569202583 /nfs/dbraw/zinc/20/25/83/569202583.db2.gz HYFDXCYSGFHINQ-UHFFFAOYSA-N 1 1 419.489 1.650 50 0 HDAAMO CCCC[NH+]1CCN(C(=O)c2cc3c(=O)n(CCOC)c4ccccc4n3n2)CC1 ZINC000065292473 569218257 /nfs/dbraw/zinc/21/82/57/569218257.db2.gz AZALEUWHQMSUJH-UHFFFAOYSA-N 1 1 411.506 1.854 50 0 HDAAMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000252139735 569282166 /nfs/dbraw/zinc/28/21/66/569282166.db2.gz GJDJWVDAOCTMHY-ZBFHGGJFSA-N 1 1 419.503 1.283 50 0 HDAAMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)NC[C@H]1COc2ccccc2O1 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O=C(NCC[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000583652780 569009374 /nfs/dbraw/zinc/00/93/74/569009374.db2.gz NHJPOQJLVGKCER-FGTMMUONSA-N 1 1 424.501 1.025 50 0 biogenic HDAAMO CCOc1ccc(C(=O)N(CC[N@@H+]2CCCC[C@@H]2C)CC(=O)N2CCNCC2)cc1 ZINC000015864153 569016422 /nfs/dbraw/zinc/01/64/22/569016422.db2.gz PUYFPYYCHVWXDF-IBGZPJMESA-N 1 1 416.566 1.834 50 0 HDAAMO CCOc1ccc(C(=O)N(CC[N@H+]2CCCC[C@@H]2C)CC(=O)N2CCNCC2)cc1 ZINC000015864153 569016423 /nfs/dbraw/zinc/01/64/23/569016423.db2.gz PUYFPYYCHVWXDF-IBGZPJMESA-N 1 1 416.566 1.834 50 0 HDAAMO CCn1c(C(=O)NCCC[NH+]2CCOCC2)cc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000035561252 569045012 /nfs/dbraw/zinc/04/50/12/569045012.db2.gz YEUNOQDASMDCNV-UHFFFAOYSA-N 1 1 422.551 1.364 50 0 HDAAMO Cc1[nH+]ccn1-c1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)ncn1 ZINC000035598105 569045823 /nfs/dbraw/zinc/04/58/23/569045823.db2.gz SNQZDKWOXHLNCK-UHFFFAOYSA-N 1 1 420.445 1.760 50 0 HDAAMO CN1CC[N@@H+](CCCNC(=O)CNC(=O)COc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000030000661 569052151 /nfs/dbraw/zinc/05/21/51/569052151.db2.gz ZYXFCDHRZHRPOS-JOCHJYFZSA-N 1 1 424.545 1.677 50 0 HDAAMO C[N@@H+]1CCN(CCCNC(=O)CNC(=O)COc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000030000661 569052152 /nfs/dbraw/zinc/05/21/52/569052152.db2.gz ZYXFCDHRZHRPOS-JOCHJYFZSA-N 1 1 424.545 1.677 50 0 HDAAMO C[N@H+]1CCN(CCCNC(=O)CNC(=O)COc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000030000661 569052153 /nfs/dbraw/zinc/05/21/53/569052153.db2.gz ZYXFCDHRZHRPOS-JOCHJYFZSA-N 1 1 424.545 1.677 50 0 HDAAMO Cn1c2nc(N3CC[NH+](C)CC3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)[nH]c1=O ZINC000006444828 569052897 /nfs/dbraw/zinc/05/28/97/569052897.db2.gz KXPPHRZSZUDRNR-UHFFFAOYSA-N 1 1 423.304 1.530 50 0 HDAAMO COc1cc(C[NH2+][C@H]2CC[C@H](O)CC2)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000243957143 569055097 /nfs/dbraw/zinc/05/50/97/569055097.db2.gz CGMZEBYHGDFWTD-FHWLQOOXSA-N 1 1 410.580 1.877 50 0 HDAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1nc(-c2ccncn2)no1 ZINC000064459839 569063022 /nfs/dbraw/zinc/06/30/22/569063022.db2.gz CNIJOGPZFGOLKS-UHFFFAOYSA-N 1 1 407.478 1.464 50 0 HDAAMO CN1C(=O)N(C)C(=O)C2(Cc3ccccc3N3CC[N@@H+](Cc4ccccc4)C[C@H]32)C1=O ZINC000035855781 569063154 /nfs/dbraw/zinc/06/31/54/569063154.db2.gz NZCTWCOWHRQUSJ-FQEVSTJZSA-N 1 1 418.497 1.970 50 0 HDAAMO CN1CCC([N@H+]2CCC[C@@H](C(=O)N3CCN(c4ccc5nccn5n4)CC3)C2)CC1 ZINC000426683685 569073785 /nfs/dbraw/zinc/07/37/85/569073785.db2.gz BMVSMCFCZABURW-GOSISDBHSA-N 1 1 411.554 1.184 50 0 HDAAMO CCOC(=O)c1sc2c(c1C)c(=O)n(CCO)c(=O)n2CC[NH+]1CCCCC1 ZINC000006764386 569114362 /nfs/dbraw/zinc/11/43/62/569114362.db2.gz ITBFXWIXRCLLPL-UHFFFAOYSA-N 1 1 409.508 1.188 50 0 HDAAMO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F)c1ccco1 ZINC000006859695 569157491 /nfs/dbraw/zinc/15/74/91/569157491.db2.gz YKIQIAFUUFKNJX-CVEARBPZSA-N 1 1 409.483 1.991 50 0 HDAAMO C[NH+]1CCN(c2ncncc2N2CCC(C(=O)NCc3ccccc3F)CC2)CC1 ZINC000065226873 569200147 /nfs/dbraw/zinc/20/01/47/569200147.db2.gz MOWOROUPXXTKKV-UHFFFAOYSA-N 1 1 412.513 1.900 50 0 HDAAMO CN1CCN(CCNC(=O)c2cccnc2N2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000065255861 569208025 /nfs/dbraw/zinc/20/80/25/569208025.db2.gz JWJSYHFKNAYQAF-OAQYLSRUSA-N 1 1 408.550 1.210 50 0 HDAAMO Cn1cc2c(n1)nc(C(=O)NCC[N@@H+](C)C1CCCCC1)nc2N1CCSCC1 ZINC000065284443 569216634 /nfs/dbraw/zinc/21/66/34/569216634.db2.gz WLRDJOGQOGLNSF-UHFFFAOYSA-N 1 1 417.583 1.911 50 0 HDAAMO CC(C)Cn1c2ccccc2n2nc(C(=O)NCCC[NH+]3CCOCC3)cc2c1=O ZINC000065292333 569218179 /nfs/dbraw/zinc/21/81/79/569218179.db2.gz GAYCJXBDDFDEKT-UHFFFAOYSA-N 1 1 411.506 1.757 50 0 HDAAMO CCN1CC[NH+](CCCNC(=O)c2c(C)oc3ncn(CC(C)C)c(=O)c32)CC1 ZINC000065329643 569224808 /nfs/dbraw/zinc/22/48/08/569224808.db2.gz GNQNWTVCFPBSGX-UHFFFAOYSA-N 1 1 403.527 1.711 50 0 HDAAMO COCC[N@@H+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000170606273 569244362 /nfs/dbraw/zinc/24/43/62/569244362.db2.gz WZRFJCCUCDCRHF-AWEZNQCLSA-N 1 1 419.569 1.378 50 0 HDAAMO CN1CC[N@@H+](CCCNC(=O)c2cnc3sccn3c2=O)[C@@H](c2ccccc2)C1 ZINC000195528652 569311890 /nfs/dbraw/zinc/31/18/90/569311890.db2.gz SALNJIQNGNKVOY-GOSISDBHSA-N 1 1 411.531 1.865 50 0 HDAAMO C[N@@H+]1CCN(CCCNC(=O)c2cnc3sccn3c2=O)[C@@H](c2ccccc2)C1 ZINC000195528652 569311891 /nfs/dbraw/zinc/31/18/91/569311891.db2.gz SALNJIQNGNKVOY-GOSISDBHSA-N 1 1 411.531 1.865 50 0 HDAAMO C[N@H+]1CCN(CCCNC(=O)c2cnc3sccn3c2=O)[C@@H](c2ccccc2)C1 ZINC000195528652 569311893 /nfs/dbraw/zinc/31/18/93/569311893.db2.gz SALNJIQNGNKVOY-GOSISDBHSA-N 1 1 411.531 1.865 50 0 HDAAMO C[C@H](O)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000252695307 569320280 /nfs/dbraw/zinc/32/02/80/569320280.db2.gz YANRSASOKFLTAR-HNTOPYAMSA-N 1 1 405.454 1.031 50 0 biogenic HDAAMO Cc1cc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCc2cccs2)ccc1F ZINC000013371849 569413106 /nfs/dbraw/zinc/41/31/06/569413106.db2.gz BIHXYELTVDZNCP-IRXDYDNUSA-N 1 1 417.549 1.967 50 0 HDAAMO O=C(CCOc1ccccc1)N1CCC(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)CC1 ZINC000328591297 569414955 /nfs/dbraw/zinc/41/49/55/569414955.db2.gz QPMWYKBAWCLNRF-UHFFFAOYSA-N 1 1 411.506 1.766 50 0 HDAAMO NC(=O)C[NH+]1CCC(NC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)CC1 ZINC000078720232 569419968 /nfs/dbraw/zinc/41/99/68/569419968.db2.gz NIQPELBQDVKALG-UHFFFAOYSA-N 1 1 402.886 1.478 50 0 HDAAMO COCCN1[NH+]=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2cccc(C)c2)c(=O)n1C ZINC000008725062 571107870 /nfs/dbraw/zinc/10/78/70/571107870.db2.gz YMMPZJHGUGYKKR-OAHLLOKOSA-N 1 1 410.478 1.657 50 0 HDAAMO O=C(C[N@H+]1CCC[C@@H](O)C1)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O ZINC000039490633 571132501 /nfs/dbraw/zinc/13/25/01/571132501.db2.gz CFMSYRMVOGFJLD-KWZJRMENSA-N 1 1 423.922 1.949 50 0 HDAAMO O=C(C[N@@H+]1CCC[C@@H](O)C1)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O ZINC000039490633 571132502 /nfs/dbraw/zinc/13/25/02/571132502.db2.gz CFMSYRMVOGFJLD-KWZJRMENSA-N 1 1 423.922 1.949 50 0 HDAAMO Cc1ccc(N2C(=O)N(CC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)C(=O)[C@@H]2C)cc1 ZINC000039983364 571136264 /nfs/dbraw/zinc/13/62/64/571136264.db2.gz AWBDIAQDNFQWSG-PKOBYXMFSA-N 1 1 416.522 1.625 50 0 HDAAMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H](NC(=O)c2ccco2)C(C)C)CC1 ZINC000040087854 571158289 /nfs/dbraw/zinc/15/82/89/571158289.db2.gz IFBFFSKUERAXHW-IBGZPJMESA-N 1 1 406.527 1.437 50 0 HDAAMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H](NC(=O)c2ccco2)C(C)C)CC1 ZINC000040087854 571158290 /nfs/dbraw/zinc/15/82/90/571158290.db2.gz IFBFFSKUERAXHW-IBGZPJMESA-N 1 1 406.527 1.437 50 0 HDAAMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)c2cccc(NC(N)=O)c2)CC1 ZINC000040119491 571175526 /nfs/dbraw/zinc/17/55/26/571175526.db2.gz WTYDZGBADWCFRA-UHFFFAOYSA-N 1 1 405.499 1.850 50 0 HDAAMO O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1)Nc1cc(N2CCCC2=O)ccc1F ZINC000069460014 571228268 /nfs/dbraw/zinc/22/82/68/571228268.db2.gz RNENPDUQKAZBCO-KXBFYZLASA-N 1 1 420.485 1.811 50 0 HDAAMO COc1ccccc1NCCN1[NH+]=C(C)[C@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000010108856 571295037 /nfs/dbraw/zinc/29/50/37/571295037.db2.gz HIACBLGJKUXVGD-ZDUSSCGKSA-N 1 1 411.466 1.311 50 0 HDAAMO O[C@H](COc1ccccc1C[NH2+]CCCN1CCOCC1)CN1CCSCC1 ZINC000012469906 1074174503 /nfs/dbraw/zinc/17/45/03/1074174503.db2.gz VEZUTIPMOXXPSX-FQEVSTJZSA-N 1 1 409.596 1.287 50 0 HDAAMO CC[N@@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(OC)c1 ZINC000045966758 521652957 /nfs/dbraw/zinc/65/29/57/521652957.db2.gz JMLZVHOWFGWLTD-IBGZPJMESA-N 1 1 402.539 1.444 50 0 HDAAMO CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(OC)c1 ZINC000045966758 521652961 /nfs/dbraw/zinc/65/29/61/521652961.db2.gz JMLZVHOWFGWLTD-IBGZPJMESA-N 1 1 402.539 1.444 50 0 HDAAMO CCN1CCC[C@H]1CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)cc1C ZINC000045974506 521653276 /nfs/dbraw/zinc/65/32/76/521653276.db2.gz NUUVWUZQODAZTF-IBGZPJMESA-N 1 1 422.595 1.210 50 0 HDAAMO COc1ccc(C[N@H+]2CCCN(C(=O)Cn3nc4n(c3=O)CCCCC4)CC2)cc1 ZINC000032786719 524026488 /nfs/dbraw/zinc/02/64/88/524026488.db2.gz AJGUEKONOWEQFR-UHFFFAOYSA-N 1 1 413.522 1.514 50 0 HDAAMO C[C@H](C(=O)NCCC[NH+]1CCOCC1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944795 526047159 /nfs/dbraw/zinc/04/71/59/526047159.db2.gz IEKWTMXVKWULMM-CYBMUJFWSA-N 1 1 412.412 1.815 50 0 HDAAMO Cc1cc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(S(=O)(=O)N(C)C)c1C ZINC000032795959 526266346 /nfs/dbraw/zinc/26/63/46/526266346.db2.gz INNGKZZQSRBJQC-IYBDPMFKSA-N 1 1 411.568 1.783 50 0 HDAAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000042393211 526313464 /nfs/dbraw/zinc/31/34/64/526313464.db2.gz NUHPFJZTNFIYNE-HXUWFJFHSA-N 1 1 413.566 1.853 50 0 HDAAMO CCOC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3ccccc3)co2)CC1 ZINC000034677078 557364240 /nfs/dbraw/zinc/36/42/40/557364240.db2.gz VTQLLLVGSDOOIC-GOSISDBHSA-N 1 1 402.495 1.120 50 0 HDAAMO CCOC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCC3CCCCC3)co2)CC1 ZINC000034677493 557365314 /nfs/dbraw/zinc/36/53/14/557365314.db2.gz WMSBSJBYWUXHEP-SFHVURJKSA-N 1 1 408.543 1.500 50 0 HDAAMO COc1cccc(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2ccc(C)cc2)c1 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O=C(C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1)N1CCOCC1 ZINC000018271494 558835215 /nfs/dbraw/zinc/83/52/15/558835215.db2.gz AVWVPWYKQWSJRZ-QGZVFWFLSA-N 1 1 405.882 1.543 50 0 HDAAMO COc1ccc(/C=C/C(=O)N2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000055416886 558881374 /nfs/dbraw/zinc/88/13/74/558881374.db2.gz OLHYXDCAOPBMJY-VQHVLOKHSA-N 1 1 407.536 1.657 50 0 HDAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)Nc1ccc(-c2nnco2)cc1 ZINC000058023207 558896094 /nfs/dbraw/zinc/89/60/94/558896094.db2.gz UZOOJBLSKKYSGG-UHFFFAOYSA-N 1 1 408.466 1.860 50 0 HDAAMO Cc1ccncc1C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071747580 558908766 /nfs/dbraw/zinc/90/87/66/558908766.db2.gz BNJQAVVRBGVOAN-SFHVURJKSA-N 1 1 400.523 1.565 50 0 HDAAMO CN(CC1(CO)CC1)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071752209 558909279 /nfs/dbraw/zinc/90/92/79/558909279.db2.gz SRGNKYKCVHBTOB-FQEVSTJZSA-N 1 1 400.567 1.989 50 0 HDAAMO Cc1cc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)N4CCN(C)CC4)C3)CC2)no1 ZINC000071754398 558909337 /nfs/dbraw/zinc/90/93/37/558909337.db2.gz MZKBXLBGPQLOCJ-KRWDZBQOSA-N 1 1 403.527 1.074 50 0 HDAAMO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000019589737 558940529 /nfs/dbraw/zinc/94/05/29/558940529.db2.gz YOLWXCQLTGLSHO-UHFFFAOYSA-N 1 1 403.504 1.665 50 0 HDAAMO O=C(CCc1nnc(C(=O)Nc2ccccc2)s1)NCCC[NH+]1CCOCC1 ZINC000033061551 558955308 /nfs/dbraw/zinc/95/53/08/558955308.db2.gz AHCOAZGMNXMBKS-UHFFFAOYSA-N 1 1 403.508 1.562 50 0 HDAAMO O=C(Cn1cnc2c(nc3n2CCCCC3)c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021871422 558959917 /nfs/dbraw/zinc/95/99/17/558959917.db2.gz BBFPKYQBLZFQLQ-UHFFFAOYSA-N 1 1 420.517 1.664 50 0 HDAAMO Cc1nc(NCCNS(=O)(=O)c2ccc(Cl)cc2)cc(N2CCOCC2)[nH+]1 ZINC000065362962 558973902 /nfs/dbraw/zinc/97/39/02/558973902.db2.gz NFQBUCSLBRKBIV-UHFFFAOYSA-N 1 1 411.915 1.665 50 0 HDAAMO Cc1nc(-n2ccnc2)cc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)[nH+]1 ZINC000067629961 558990265 /nfs/dbraw/zinc/99/02/65/558990265.db2.gz MZJZCQQVFMIFOK-UHFFFAOYSA-N 1 1 420.445 1.760 50 0 HDAAMO Cc1nccc(N2CCC3(CN(CCC[N@H+]4CC[C@@H](N(C)C)C4)C(=O)O3)CC2)n1 ZINC000077300306 559000830 /nfs/dbraw/zinc/00/08/30/559000830.db2.gz NXJOUXVZVAMNRI-GOSISDBHSA-N 1 1 402.543 1.602 50 0 HDAAMO Cc1nccc(N2CCC3(CN(CCC[N@@H+]4CC[C@@H](N(C)C)C4)C(=O)O3)CC2)n1 ZINC000077300306 559000831 /nfs/dbraw/zinc/00/08/31/559000831.db2.gz NXJOUXVZVAMNRI-GOSISDBHSA-N 1 1 402.543 1.602 50 0 HDAAMO Cc1cn2cc(CNC(=O)c3ccc(CN4CCC[N@H+](C)CC4)[nH]c3=O)nc2s1 ZINC000077455611 559005779 /nfs/dbraw/zinc/00/57/79/559005779.db2.gz FLERYUOQMYXQOL-UHFFFAOYSA-N 1 1 414.535 1.460 50 0 HDAAMO CN1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1=O ZINC000082093067 559037317 /nfs/dbraw/zinc/03/73/17/559037317.db2.gz DUTBXZDQUMIYRR-NRFANRHFSA-N 1 1 412.578 1.706 50 0 HDAAMO CCn1nccc1C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082096416 559037333 /nfs/dbraw/zinc/03/73/33/559037333.db2.gz SPGDMNQQDGESEY-GOSISDBHSA-N 1 1 424.549 1.931 50 0 HDAAMO O=C([C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1)N1CCNC(=O)C1 ZINC000082109166 559038840 /nfs/dbraw/zinc/03/88/40/559038840.db2.gz DEMKSYPUUKAJCY-MRXNPFEDSA-N 1 1 411.506 1.467 50 0 HDAAMO CC(=O)NCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000082119918 559039245 /nfs/dbraw/zinc/03/92/45/559039245.db2.gz YSZJRTXBYXYIRF-QGZVFWFLSA-N 1 1 413.522 1.761 50 0 HDAAMO Cn1ccnc1C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082125476 559039711 /nfs/dbraw/zinc/03/97/11/559039711.db2.gz QNVCIIUJSWWRTC-KRWDZBQOSA-N 1 1 410.522 1.448 50 0 HDAAMO O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3cccnn3)CC2)C1 ZINC000082137055 559040360 /nfs/dbraw/zinc/04/03/60/559040360.db2.gz ZQGLAZOMAJHZLU-QGZVFWFLSA-N 1 1 408.506 1.505 50 0 HDAAMO CCN(C)CC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082138572 559040639 /nfs/dbraw/zinc/04/06/39/559040639.db2.gz MDRIIUBUGKPUCZ-SFHVURJKSA-N 1 1 401.555 1.353 50 0 HDAAMO CCN(C)CC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082138572 559040640 /nfs/dbraw/zinc/04/06/40/559040640.db2.gz MDRIIUBUGKPUCZ-SFHVURJKSA-N 1 1 401.555 1.353 50 0 HDAAMO O=C(N[C@@H]1CCNC1=O)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000082167060 559042191 /nfs/dbraw/zinc/04/21/91/559042191.db2.gz AWQRSAZZSUJWBG-JOCHJYFZSA-N 1 1 412.578 1.800 50 0 HDAAMO CC[N@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)Cc1ccc2c(c1)OCO2 ZINC000011364474 559061829 /nfs/dbraw/zinc/06/18/29/559061829.db2.gz UTWIJSOGOWRHLE-UHFFFAOYSA-N 1 1 417.487 1.474 50 0 HDAAMO CC[N@@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)Cc1ccc2c(c1)OCO2 ZINC000011364474 559061831 /nfs/dbraw/zinc/06/18/31/559061831.db2.gz UTWIJSOGOWRHLE-UHFFFAOYSA-N 1 1 417.487 1.474 50 0 HDAAMO CC[NH+]1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n(CCc2ccccc2)c3=O)CC1 ZINC000004791660 559065489 /nfs/dbraw/zinc/06/54/89/559065489.db2.gz HBTZAEPVILFNOY-UHFFFAOYSA-N 1 1 406.486 1.710 50 0 HDAAMO CCN1CC[NH+](C[C@H](O)COc2cccc(CN(C)Cc3cc(C)on3)c2)CC1 ZINC000095515310 559084450 /nfs/dbraw/zinc/08/44/50/559084450.db2.gz PCDIMEVBWDJHEG-NRFANRHFSA-N 1 1 402.539 1.992 50 0 HDAAMO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@@H+](CC(=O)N3CCOCC3)C2)c1 ZINC000095523712 559085603 /nfs/dbraw/zinc/08/56/03/559085603.db2.gz LHZISDCVTZIQKT-SFHVURJKSA-N 1 1 403.523 1.662 50 0 HDAAMO CN(C)CC(=O)N1CCC(CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000095527487 559086351 /nfs/dbraw/zinc/08/63/51/559086351.db2.gz KJXSJVWMRNOHCU-NRFANRHFSA-N 1 1 400.567 1.958 50 0 HDAAMO CN(C)CC(=O)N1CCC(CCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000095527487 559086354 /nfs/dbraw/zinc/08/63/54/559086354.db2.gz KJXSJVWMRNOHCU-NRFANRHFSA-N 1 1 400.567 1.958 50 0 HDAAMO CCN(CC)[C@@H]1CC(=O)N(c2ccc(N3C(=O)C[C@@H]([NH+](CC)CC)C3=O)cc2)C1=O ZINC000101596751 559147389 /nfs/dbraw/zinc/14/73/89/559147389.db2.gz DCSAANTUNCFNMM-QZTJIDSGSA-N 1 1 414.506 1.634 50 0 HDAAMO O=C1Nc2ccc(Cl)cc2[C@]12[C@@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000248002534 559259103 /nfs/dbraw/zinc/25/91/03/559259103.db2.gz RIXZPJMVHKAKIZ-BZOXSRKHSA-N 1 1 415.877 1.746 50 0 HDAAMO O=C1Nc2ccc(Cl)cc2[C@]12[C@@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000248002534 559259104 /nfs/dbraw/zinc/25/91/04/559259104.db2.gz RIXZPJMVHKAKIZ-BZOXSRKHSA-N 1 1 415.877 1.746 50 0 HDAAMO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ncccn5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000061997576 560565093 /nfs/dbraw/zinc/56/50/93/560565093.db2.gz BNFUIDSOFLPLAA-KQZPPDIYSA-N 1 1 412.534 1.884 50 0 biogenic HDAAMO C[N@H+]1CCN(CCNC(=O)CCS(=O)(=O)C2CCCC2)[C@H](c2ccccc2)C1 ZINC000062580546 560631451 /nfs/dbraw/zinc/63/14/51/560631451.db2.gz CWCZLKCCSSCBCH-FQEVSTJZSA-N 1 1 407.580 1.839 50 0 HDAAMO O=S(=O)(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1cccc2nsnc21 ZINC000107540023 560896621 /nfs/dbraw/zinc/89/66/21/560896621.db2.gz TWHNQMXRXOOESG-RDJZCZTQSA-N 1 1 418.544 1.853 50 0 HDAAMO O=S(=O)(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)c1cccc2nsnc21 ZINC000107540023 560896622 /nfs/dbraw/zinc/89/66/22/560896622.db2.gz TWHNQMXRXOOESG-RDJZCZTQSA-N 1 1 418.544 1.853 50 0 HDAAMO O=C(c1ccccc1)N1C[C@H](C[NH2+]Cc2cnn(-c3ccccc3)n2)N2CC[C@H]1C2 ZINC000108367037 568418659 /nfs/dbraw/zinc/41/86/59/568418659.db2.gz GHLYQBLGAFELFS-VXKWHMMOSA-N 1 1 402.502 1.956 50 0 HDAAMO C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC(NC(=O)c2cnn(C)c2)CC1 ZINC000048374768 568442559 /nfs/dbraw/zinc/44/25/59/568442559.db2.gz XJYNWQAZMBYPAH-CQSZACIVSA-N 1 1 401.536 1.649 50 0 HDAAMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(CN2CNc3c(c(=O)n(C)c(=O)n3C)C2)o1 ZINC000020320248 568598717 /nfs/dbraw/zinc/59/87/17/568598717.db2.gz AIFWKKCDAPVQNN-OAHLLOKOSA-N 1 1 401.511 1.827 50 0 HDAAMO C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000095434591 568609510 /nfs/dbraw/zinc/60/95/10/568609510.db2.gz LGVZVIWWRFRKLZ-HNNXBMFYSA-N 1 1 415.531 1.309 50 0 HDAAMO Cc1nn(CC(=O)NCCC[NH+]2CCOCC2)c(=O)c2c3ccccc3sc21 ZINC000020466860 568610265 /nfs/dbraw/zinc/61/02/65/568610265.db2.gz MJMMIXGNDWGXRT-UHFFFAOYSA-N 1 1 400.504 1.758 50 0 HDAAMO Cc1[nH+]ccn1CCCNC(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C ZINC000225513543 568645572 /nfs/dbraw/zinc/64/55/72/568645572.db2.gz UZKHECQZPYJYLE-KRWDZBQOSA-N 1 1 403.508 1.461 50 0 HDAAMO CCc1cc2c(cc3c(=O)n(CC(=O)N4CC[NH+](CC)CC4)nc(CC)n23)s1 ZINC000020862655 568646292 /nfs/dbraw/zinc/64/62/92/568646292.db2.gz XVTJNZQFFCHSDB-UHFFFAOYSA-N 1 1 401.536 2.000 50 0 HDAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000020865276 568646381 /nfs/dbraw/zinc/64/63/81/568646381.db2.gz DMFDYDMUYDLHSQ-INIZCTEOSA-N 1 1 404.540 1.384 50 0 HDAAMO CN1CC[NH+](CCCNC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)CC1 ZINC000021019286 568658010 /nfs/dbraw/zinc/65/80/10/568658010.db2.gz NYZLBBSEDRXOSG-UHFFFAOYSA-N 1 1 404.536 1.597 50 0 HDAAMO CSCC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000095964897 568670856 /nfs/dbraw/zinc/67/08/56/568670856.db2.gz OMHCQGGFKNGUAV-UHFFFAOYSA-N 1 1 405.973 1.468 50 0 HDAAMO O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000096116486 568696165 /nfs/dbraw/zinc/69/61/65/568696165.db2.gz XRJAGLGHLXFIEV-FQEVSTJZSA-N 1 1 421.501 1.299 50 0 biogenic HDAAMO COc1cccc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]c(C)n3)CC2)c1 ZINC000021795231 568753735 /nfs/dbraw/zinc/75/37/35/568753735.db2.gz UEMQKWMFHAEHCG-UHFFFAOYSA-N 1 1 412.494 1.984 50 0 HDAAMO CCN1CC[NH+](CCCNC(=O)c2ccc3c(c2)N(C)C(=O)[C@@H]2CCCCN32)CC1 ZINC000021938623 568762869 /nfs/dbraw/zinc/76/28/69/568762869.db2.gz QIZMWIHEUCNAEY-FQEVSTJZSA-N 1 1 413.566 1.779 50 0 HDAAMO CCOc1ccc([C@@H]2NC(=O)N=C(C[NH+]3CCC(C(N)=O)CC3)C2C(=O)OC)cc1 ZINC000057415347 568833707 /nfs/dbraw/zinc/83/37/07/568833707.db2.gz HFMNJMRXXQJRLG-SFHVURJKSA-N 1 1 416.478 1.064 50 0 HDAAMO CNS(=O)(=O)c1cc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)ccc1OC ZINC000057435584 568836690 /nfs/dbraw/zinc/83/66/90/568836690.db2.gz OUBXORKNLCIJTR-UHFFFAOYSA-N 1 1 417.531 1.604 50 0 HDAAMO O=C(c1ccccc1CN1C(=O)CNC1=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000057484051 568841647 /nfs/dbraw/zinc/84/16/47/568841647.db2.gz KJEVOFNAWHANSH-UHFFFAOYSA-N 1 1 406.486 1.739 50 0 HDAAMO CC(C)N(C)C(=O)C[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299797457 568876333 /nfs/dbraw/zinc/87/63/33/568876333.db2.gz OHPVPANARAAAPU-FQEVSTJZSA-N 1 1 421.513 1.763 50 0 HDAAMO CCC[N@H+]1CC[C@H](CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000058015483 568876355 /nfs/dbraw/zinc/87/63/55/568876355.db2.gz ZTJHYBDDEOBPFC-LJQANCHMSA-N 1 1 423.579 1.488 50 0 HDAAMO Cn1nc(C(F)F)cc1C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670453457 568928978 /nfs/dbraw/zinc/92/89/78/568928978.db2.gz ONIIYPSTXOAUGB-TUVDCLKLSA-N 1 1 401.461 1.655 50 0 HDAAMO CC(C)c1nnc2ccc(N3CCC(C(=O)NCCC[NH+]4CCOCC4)CC3)nn21 ZINC000031808624 568931930 /nfs/dbraw/zinc/93/19/30/568931930.db2.gz GGPIJPNXRJYJIC-UHFFFAOYSA-N 1 1 415.542 1.303 50 0 HDAAMO C[NH+]1CCN(C(=O)CCc2nnc3ccc(NCc4ccc5c(c4)OCO5)nn32)CC1 ZINC000015776609 569000100 /nfs/dbraw/zinc/00/01/00/569000100.db2.gz GBZOSYWKZYCMRE-UHFFFAOYSA-N 1 1 423.477 1.172 50 0 HDAAMO CCOC(=O)C1=C(C[NH+]2CCC(C(N)=O)CC2)NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000067205079 569003401 /nfs/dbraw/zinc/00/34/01/569003401.db2.gz NFCCFWZUKCDSGE-QGZVFWFLSA-N 1 1 420.897 1.708 50 0 HDAAMO C[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000020481704 569008036 /nfs/dbraw/zinc/00/80/36/569008036.db2.gz WCBWWYCTZFPBBS-UHFFFAOYSA-N 1 1 407.467 1.779 50 0 HDAAMO C[C@H](O)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015959689 569024741 /nfs/dbraw/zinc/02/47/41/569024741.db2.gz YANRSASOKFLTAR-AYDPKTSMSA-N 1 1 405.454 1.031 50 0 biogenic HDAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 ZINC000023006299 569046715 /nfs/dbraw/zinc/04/67/15/569046715.db2.gz QHMJMNHCFAUJLO-UHFFFAOYSA-N 1 1 415.519 1.396 50 0 HDAAMO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000241961302 569054933 /nfs/dbraw/zinc/05/49/33/569054933.db2.gz URFRLAIKXQKQPL-GHTZIAJQSA-N 1 1 417.531 1.806 50 0 HDAAMO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000241961302 569054934 /nfs/dbraw/zinc/05/49/34/569054934.db2.gz URFRLAIKXQKQPL-GHTZIAJQSA-N 1 1 417.531 1.806 50 0 HDAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)[NH2+][C@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000245255694 569055452 /nfs/dbraw/zinc/05/54/52/569055452.db2.gz KYBSGTWCHDEYMC-DTOLVPOJSA-N 1 1 405.882 1.548 50 0 HDAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H]([C@H](C)O)[NH2+][C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O ZINC000245256321 569055520 /nfs/dbraw/zinc/05/55/20/569055520.db2.gz OWTVRJFUUJRVCS-CQPGOZPCSA-N 1 1 405.882 1.548 50 0 HDAAMO Cn1cncc1C[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000426444926 569073033 /nfs/dbraw/zinc/07/30/33/569073033.db2.gz LDCGIJDRDMTQQY-FQEVSTJZSA-N 1 1 402.470 1.830 50 0 HDAAMO O=C(C[N@@H+]1CCc2ccccc2C1)N1CCn2nc(CNc3ncccn3)cc2C1 ZINC000426472644 569073206 /nfs/dbraw/zinc/07/32/06/569073206.db2.gz FQGSWIWVIDZDCC-UHFFFAOYSA-N 1 1 403.490 1.686 50 0 HDAAMO O=C(C[N@H+]1CCc2ccccc2C1)N1CCn2nc(CNc3ncccn3)cc2C1 ZINC000426472644 569073207 /nfs/dbraw/zinc/07/32/07/569073207.db2.gz FQGSWIWVIDZDCC-UHFFFAOYSA-N 1 1 403.490 1.686 50 0 HDAAMO CCC[NH+]1CCN(C(=O)c2cn(-c3cc(N4CCSCC4)ncn3)cn2)CC1 ZINC000065240012 569203717 /nfs/dbraw/zinc/20/37/17/569203717.db2.gz IYFUSRWQMNIGAM-UHFFFAOYSA-N 1 1 401.540 1.383 50 0 HDAAMO CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)N2CC[NH+](CC)CC2)CC3)CC1 ZINC000065273782 569214778 /nfs/dbraw/zinc/21/47/78/569214778.db2.gz FGIIYTGHXGKRMT-MRXNPFEDSA-N 1 1 419.595 1.471 50 0 HDAAMO O=C(CN1C(=O)c2ccccc2C1=O)NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036700030 569222474 /nfs/dbraw/zinc/22/24/74/569222474.db2.gz RWZJYFNCACCQRA-FQEVSTJZSA-N 1 1 407.470 1.862 50 0 HDAAMO O=C(CN1C(=O)c2ccccc2C1=O)NCCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036700030 569222475 /nfs/dbraw/zinc/22/24/75/569222475.db2.gz RWZJYFNCACCQRA-FQEVSTJZSA-N 1 1 407.470 1.862 50 0 HDAAMO COc1ccc(NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)cc1-n1nnnc1C ZINC000170598138 569242425 /nfs/dbraw/zinc/24/24/25/569242425.db2.gz DNNDWZPDUMPJFH-UHFFFAOYSA-N 1 1 416.530 1.517 50 0 HDAAMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)CC1 ZINC000170610355 569245299 /nfs/dbraw/zinc/24/52/99/569245299.db2.gz OIJIMMOBSMXXAQ-AWEZNQCLSA-N 1 1 412.556 1.739 50 0 HDAAMO CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000014329284 569259654 /nfs/dbraw/zinc/25/96/54/569259654.db2.gz ZJIKRNVHZLVRGQ-CQSZACIVSA-N 1 1 403.479 1.975 50 0 HDAAMO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)C[NH+]1CCC2(CC1)OCCO2 ZINC000002261467 569325365 /nfs/dbraw/zinc/32/53/65/569325365.db2.gz FIUMJQSAFNRCNB-UHFFFAOYSA-N 1 1 403.435 1.741 50 0 HDAAMO CCOC(=O)C1=C(C[NH+]2CCC(C(N)=O)CC2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000054976629 569372855 /nfs/dbraw/zinc/37/28/55/569372855.db2.gz SPGAAVQLHUYNDE-IBGZPJMESA-N 1 1 414.506 1.787 50 0 HDAAMO CCOC(=O)C1=C(C[NH+]2CCC(C(N)=O)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000054976630 569372949 /nfs/dbraw/zinc/37/29/49/569372949.db2.gz SPGAAVQLHUYNDE-LJQANCHMSA-N 1 1 414.506 1.787 50 0 HDAAMO CCOCC[N@H+]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCOC2)C[C@@H]1C ZINC000253630120 569383340 /nfs/dbraw/zinc/38/33/40/569383340.db2.gz HXQYUYOWEPXJMY-ZWKOTPCHSA-N 1 1 402.543 1.867 50 0 HDAAMO CCNC(=S)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CC[NH+](C)CC1 ZINC000013097143 569408895 /nfs/dbraw/zinc/40/88/95/569408895.db2.gz SZDVSSXHUSVWRA-UHFFFAOYSA-N 1 1 413.613 1.775 50 0 HDAAMO Cc1cc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCc2ccccc2)ccc1F ZINC000013371851 569413005 /nfs/dbraw/zinc/41/30/05/569413005.db2.gz RDMOIRRIEYTYHV-OALUTQOASA-N 1 1 411.520 1.906 50 0 HDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)NCc4ccc(C)o4)c(=O)c3s2)CC1 ZINC000067239630 571051742 /nfs/dbraw/zinc/05/17/42/571051742.db2.gz IKSBBPMHUGSFJX-UHFFFAOYSA-N 1 1 416.507 1.213 50 0 HDAAMO CCOCCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(Cc2ccc(F)cc2)c(=O)n1C ZINC000008725092 571108028 /nfs/dbraw/zinc/10/80/28/571108028.db2.gz VIOOJMZVQINGIT-UHFFFAOYSA-N 1 1 414.441 1.317 50 0 HDAAMO CC(=O)c1cccc(OC[C@@H](O)CN2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)c1 ZINC000039791950 571134297 /nfs/dbraw/zinc/13/42/97/571134297.db2.gz AIICIEJGHLEMPO-IBGZPJMESA-N 1 1 405.539 1.551 50 0 HDAAMO CC(=O)c1cccc(OC[C@@H](O)CN2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)c1 ZINC000039791950 571134298 /nfs/dbraw/zinc/13/42/98/571134298.db2.gz AIICIEJGHLEMPO-IBGZPJMESA-N 1 1 405.539 1.551 50 0 HDAAMO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CCCN(CC(=O)NC(C)(C)C)CC2)c1 ZINC000039791950 571134300 /nfs/dbraw/zinc/13/43/00/571134300.db2.gz AIICIEJGHLEMPO-IBGZPJMESA-N 1 1 405.539 1.551 50 0 HDAAMO CC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CCCN(CC(=O)NC(C)(C)C)CC2)c1 ZINC000039791950 571134301 /nfs/dbraw/zinc/13/43/01/571134301.db2.gz AIICIEJGHLEMPO-IBGZPJMESA-N 1 1 405.539 1.551 50 0 HDAAMO CC[C@@]1(C)NC(=O)N(NC(=O)CN2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)C1=O ZINC000039990607 571136565 /nfs/dbraw/zinc/13/65/65/571136565.db2.gz FHGSISKMFWKRJM-JOCHJYFZSA-N 1 1 415.538 1.679 50 0 HDAAMO O=C(Cn1nnc(COc2ccccc2)n1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000040157054 571203694 /nfs/dbraw/zinc/20/36/94/571203694.db2.gz UJJRXNWYTXNSGD-UHFFFAOYSA-N 1 1 422.489 1.766 50 0 HDAAMO Cc1c(C)n2c(nc3c2c(=O)n(C)c(=O)n3C)n1CCC[N@H+]1CCc2ccccc2C1 ZINC000008991217 571207018 /nfs/dbraw/zinc/20/70/18/571207018.db2.gz OBGLVVGOCKCLRQ-UHFFFAOYSA-N 1 1 420.517 1.752 50 0 HDAAMO CN(C)C(=O)Cc1ccc(NC(=O)NC[C@@H]([C@@H]2CCOC2)[NH+]2CCOCC2)cc1 ZINC000069414169 571227817 /nfs/dbraw/zinc/22/78/17/571227817.db2.gz OPMRPEWBMLPHNE-MJGOQNOKSA-N 1 1 404.511 1.176 50 0 HDAAMO C[C@H](CNC(=O)CCc1nc(-c2nc[nH]n2)no1)[NH+]1CCN(c2ccccc2)CC1 ZINC000070005826 571253720 /nfs/dbraw/zinc/25/37/20/571253720.db2.gz QASLUBKKIHDIMG-OAHLLOKOSA-N 1 1 410.482 1.114 50 0 HDAAMO CCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)N4CC[NH+](C)CC4)C3)ccc21 ZINC000021937812 571315159 /nfs/dbraw/zinc/31/51/59/571315159.db2.gz HPXDRGQURDONHT-SFHVURJKSA-N 1 1 418.563 1.836 50 0 HDAAMO OCCOc1ccccc1C[N@@H+]1CC[C@@H](N2CCN(c3ccccn3)CC2)[C@H](O)C1 ZINC000012570320 1075266531 /nfs/dbraw/zinc/26/65/31/1075266531.db2.gz DHSMMFJNKUYUIZ-NHCUHLMSSA-N 1 1 412.534 1.210 50 0 HDAAMO OCCOc1ccccc1C[N@H+]1CC[C@@H](N2CCN(c3ccccn3)CC2)[C@H](O)C1 ZINC000012570320 1075266535 /nfs/dbraw/zinc/26/65/35/1075266535.db2.gz DHSMMFJNKUYUIZ-NHCUHLMSSA-N 1 1 412.534 1.210 50 0 HDAAMO O=C1c2ccccc2S(=O)(=O)N1CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000001999529 132248435 /nfs/dbraw/zinc/24/84/35/132248435.db2.gz TZJUVVIWVWFLCD-UHFFFAOYSA-N 1 1 401.492 1.224 50 0 investigational HDAAMO CC[NH+](CC)CCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000045944183 520643611 /nfs/dbraw/zinc/64/36/11/520643611.db2.gz SHOAHVMCUUCZAB-UHFFFAOYSA-N 1 1 424.611 1.458 50 0 HDAAMO CCC(=O)c1ccc(OCC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000032928214 521245014 /nfs/dbraw/zinc/24/50/14/521245014.db2.gz YZDUYMDKYCFCLF-UHFFFAOYSA-N 1 1 401.507 1.671 50 0 HDAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1c2c(c(OC)c3c1CCN(C)C3)OCO2 ZINC000040312983 521641594 /nfs/dbraw/zinc/64/15/94/521641594.db2.gz QPGBTMLNSCHNPS-CYBMUJFWSA-N 1 1 411.524 1.174 50 0 biogenic HDAAMO CCc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[NH+](CC)CC)cc1 ZINC000045944190 524010823 /nfs/dbraw/zinc/01/08/23/524010823.db2.gz URDRGOSQEQINDX-UHFFFAOYSA-N 1 1 424.611 1.403 50 0 HDAAMO COc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)C(C)C)n3CC2)c(OC)c1C ZINC000020598790 524040095 /nfs/dbraw/zinc/04/00/95/524040095.db2.gz SNOFHOSOJLYRDT-UHFFFAOYSA-N 1 1 415.538 1.977 50 0 HDAAMO C[C@@H](NC(=O)C(=O)NCc1ccccn1)[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000020287712 525043872 /nfs/dbraw/zinc/04/38/72/525043872.db2.gz HRPFBQREVSLFMK-QAPCUYQASA-N 1 1 401.536 1.253 50 0 HDAAMO Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000024096827 527201258 /nfs/dbraw/zinc/20/12/58/527201258.db2.gz MBYSOOZEMPTOCD-UHFFFAOYSA-N 1 1 407.522 1.643 50 0 HDAAMO CC(C)OC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3ccccc3)co2)CC1 ZINC000034677066 557364160 /nfs/dbraw/zinc/36/41/60/557364160.db2.gz RHQWJTWBRGHSMK-LJQANCHMSA-N 1 1 416.522 1.508 50 0 HDAAMO CCOC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)CC1 ZINC000034677370 557364819 /nfs/dbraw/zinc/36/48/19/557364819.db2.gz MXTNNMXVMQQITK-GOSISDBHSA-N 1 1 420.485 1.259 50 0 HDAAMO CCCN(CCC)C(=O)c1coc(CN2CC[NH+](C[C@H](O)COC(C)C)CC2)n1 ZINC000034677634 557365599 /nfs/dbraw/zinc/36/55/99/557365599.db2.gz KPZXOQMQBCZKJE-SFHVURJKSA-N 1 1 410.559 1.840 50 0 HDAAMO Cc1cccc(CN2CCc3nc(N4CC[NH+](C)CC4)nc(N4CCOCC4)c3C2)c1 ZINC000034755472 557457830 /nfs/dbraw/zinc/45/78/30/557457830.db2.gz CPDVTOQPWVNLPA-UHFFFAOYSA-N 1 1 422.577 1.932 50 0 HDAAMO COCCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CC[NH+](C)CC2)c1 ZINC000022714613 557802075 /nfs/dbraw/zinc/80/20/75/557802075.db2.gz XJBGXJJBABHRNW-UHFFFAOYSA-N 1 1 409.490 1.563 50 0 HDAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1)N(CCO)Cc1ccccc1 ZINC000011843866 558288788 /nfs/dbraw/zinc/28/87/88/558288788.db2.gz JQBYULCBWKPQLP-JOCHJYFZSA-N 1 1 407.514 1.365 50 0 HDAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1)N(CCO)Cc1ccccc1 ZINC000011843866 558288792 /nfs/dbraw/zinc/28/87/92/558288792.db2.gz JQBYULCBWKPQLP-JOCHJYFZSA-N 1 1 407.514 1.365 50 0 HDAAMO COCc1ccc(C(=O)NCc2nnc3n2CC[N@H+](Cc2cccc(O)c2)CC3)o1 ZINC000011997484 558307157 /nfs/dbraw/zinc/30/71/57/558307157.db2.gz LMOBASOLJLGHAH-UHFFFAOYSA-N 1 1 411.462 1.711 50 0 HDAAMO CCN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000020046331 558327320 /nfs/dbraw/zinc/32/73/20/558327320.db2.gz CRVPPSDHEDSQME-UHFFFAOYSA-N 1 1 404.330 1.234 50 0 HDAAMO COc1cc2c(cc1OC)[C@H](C(=O)N1CC[NH+](C)CC1)[C@H](c1cccnc1)N(C)C2=O ZINC000020113768 558336492 /nfs/dbraw/zinc/33/64/92/558336492.db2.gz FWFMFHMLBZHBQV-SFTDATJTSA-N 1 1 424.501 1.783 50 0 HDAAMO C[C@@H]1CCc2sc3ncn4nc(C(=O)NCCC[NH+]5CCOCC5)nc4c3c2C1 ZINC000020503797 558381272 /nfs/dbraw/zinc/38/12/72/558381272.db2.gz DAJOSECAVMZZOI-CYBMUJFWSA-N 1 1 414.535 1.916 50 0 HDAAMO O=C([C@H]1CCCN(c2ncnc3nc[nH]c32)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020622147 558394097 /nfs/dbraw/zinc/39/40/97/558394097.db2.gz SWONAGQAWWTZRN-SFHVURJKSA-N 1 1 405.506 1.914 50 0 HDAAMO O=C1C(=O)N(CN2CC[NH+](Cc3cccs3)CC2)C(=O)N1CCc1cccs1 ZINC000022786018 558511108 /nfs/dbraw/zinc/51/11/08/558511108.db2.gz VHBCXCSHQPPWTF-UHFFFAOYSA-N 1 1 418.544 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/nfs/dbraw/zinc/87/81/87/568878187.db2.gz HISXESCXZNYZBZ-QGZVFWFLSA-N 1 1 418.416 1.487 50 0 biogenic HDAAMO CCN(C(=O)C[N@@H+](C)C1CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003342445 568884015 /nfs/dbraw/zinc/88/40/15/568884015.db2.gz RXNMOPDSQDILJY-UHFFFAOYSA-N 1 1 413.522 1.785 50 0 HDAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1scc2c1OCCO2 ZINC000670448939 568921833 /nfs/dbraw/zinc/92/18/33/568921833.db2.gz LKEDVPOREJCFRQ-YOMPXFNTSA-N 1 1 411.527 1.817 50 0 HDAAMO Cc1cc(C)n(CCCC(=O)N[C@@H]2C3CN4CC2(c2ccccc2)C[N@@H+](C3)CC4)n1 ZINC000670451861 568926690 /nfs/dbraw/zinc/92/66/90/568926690.db2.gz WNSGSOLQTKFRES-SDPJGKNGSA-N 1 1 407.562 1.964 50 0 HDAAMO COc1ccc(C(=O)N[C@H]2C3CN4CC2(c2ccccc2)C[N@@H+](C3)CC4)c(OC)n1 ZINC000670457995 568943207 /nfs/dbraw/zinc/94/32/07/568943207.db2.gz KFBRSMDGIIQPAJ-UKAYHFCDSA-N 1 1 408.502 1.396 50 0 HDAAMO CCOc1ccccc1NC(=O)CCc1nnc2ccc(N3CC[NH+](C)CC3)nn21 ZINC000015678768 568966526 /nfs/dbraw/zinc/96/65/26/568966526.db2.gz AABMLEIWYPXTMZ-UHFFFAOYSA-N 1 1 409.494 1.846 50 0 HDAAMO CCc1[nH+]ccn1CCCNS(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1 ZINC000670467204 568972962 /nfs/dbraw/zinc/97/29/62/568972962.db2.gz ONLIAUYLDBGYGD-UHFFFAOYSA-N 1 1 415.541 1.032 50 0 HDAAMO O=C([C@@H]1CCC[N@H+](CN2C(=O)NC3(CCCCCCC3)C2=O)C1)N1CCOCC1 ZINC000012814159 568988366 /nfs/dbraw/zinc/98/83/66/568988366.db2.gz VTHYHDKRBQAUOK-QGZVFWFLSA-N 1 1 406.527 1.550 50 0 HDAAMO O=C([C@@H]1CCC[N@@H+](CN2C(=O)NC3(CCCCCCC3)C2=O)C1)N1CCOCC1 ZINC000012814159 568988367 /nfs/dbraw/zinc/98/83/67/568988367.db2.gz VTHYHDKRBQAUOK-QGZVFWFLSA-N 1 1 406.527 1.550 50 0 HDAAMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2nc(N3CCOCC3)ncc2C1 ZINC000015779284 569001715 /nfs/dbraw/zinc/00/17/15/569001715.db2.gz YTIRHOCQSSCLIR-UHFFFAOYSA-N 1 1 400.479 1.897 50 0 HDAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCc2nc(N3CCOCC3)ncc2C1 ZINC000015779284 569001717 /nfs/dbraw/zinc/00/17/17/569001717.db2.gz YTIRHOCQSSCLIR-UHFFFAOYSA-N 1 1 400.479 1.897 50 0 HDAAMO Cc1ccc(-n2nc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)n(C)c2=O)cc1 ZINC000015786440 569007567 /nfs/dbraw/zinc/00/75/67/569007567.db2.gz PJKMOXKVBOYKNU-UHFFFAOYSA-N 1 1 419.485 1.198 50 0 HDAAMO CC[N@@H+]1CCC[C@H]1CN(CC(=O)N1CCNCC1)C(=O)c1cccc(NC(C)=O)c1 ZINC000015864141 569016316 /nfs/dbraw/zinc/01/63/16/569016316.db2.gz QSCLQECXDRSLLH-FQEVSTJZSA-N 1 1 415.538 1.003 50 0 HDAAMO CC[N@H+]1CCC[C@H]1CN(CC(=O)N1CCNCC1)C(=O)c1cccc(NC(C)=O)c1 ZINC000015864141 569016317 /nfs/dbraw/zinc/01/63/17/569016317.db2.gz QSCLQECXDRSLLH-FQEVSTJZSA-N 1 1 415.538 1.003 50 0 HDAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016031029 569027876 /nfs/dbraw/zinc/02/78/76/569027876.db2.gz STSYHFSOMPQGNX-NMLBUPMWSA-N 1 1 417.421 1.459 50 0 biogenic HDAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016031029 569027877 /nfs/dbraw/zinc/02/78/77/569027877.db2.gz STSYHFSOMPQGNX-NMLBUPMWSA-N 1 1 417.421 1.459 50 0 biogenic HDAAMO Cc1cccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCN2CCCCC2)c1 ZINC000035401499 569035361 /nfs/dbraw/zinc/03/53/61/569035361.db2.gz KOBCLOZHJVKBAB-UHFFFAOYSA-N 1 1 422.595 1.294 50 0 HDAAMO C[N@H+]1CCN2c3ccccc3C[C@@]3(C(=O)NC(=O)N(Cc4ccccc4)C3=O)[C@H]2C1 ZINC000245326926 569055896 /nfs/dbraw/zinc/05/58/96/569055896.db2.gz NEMLDXOKRDIZGR-XXBNENTESA-N 1 1 404.470 1.628 50 0 HDAAMO C[C@H](O)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]12 ZINC000245327366 569056057 /nfs/dbraw/zinc/05/60/57/569056057.db2.gz OTFGQGNYDVZDKF-WPUQCQLBSA-N 1 1 415.465 1.650 50 0 HDAAMO CC(C)C(=O)N1CCN(c2nc(C[NH+]3CCN(c4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035925316 569066343 /nfs/dbraw/zinc/06/63/43/569066343.db2.gz BANLZNDVYDPXMD-UHFFFAOYSA-N 1 1 424.549 1.397 50 0 HDAAMO CCN1CC[NH+](CCCNC(=O)Cn2c3ccccc3c3cnn(C)c(=O)c32)CC1 ZINC000064775907 569093771 /nfs/dbraw/zinc/09/37/71/569093771.db2.gz PJVMEKSDLFNFNY-UHFFFAOYSA-N 1 1 410.522 1.032 50 0 HDAAMO CC(=O)Nc1ccc(OCc2cc(C(=O)NCCC[NH+]3CCOCC3)no2)cc1 ZINC000065027276 569156004 /nfs/dbraw/zinc/15/60/04/569156004.db2.gz IHZPGNSGJSTXBR-UHFFFAOYSA-N 1 1 402.451 1.664 50 0 HDAAMO O=C(c1c2c(sc1-n1cnnn1)CCC2)N1CC[NH+](CCc2ccncc2)CC1 ZINC000524734589 569213690 /nfs/dbraw/zinc/21/36/90/569213690.db2.gz SPJVZMORZZSNIY-UHFFFAOYSA-N 1 1 409.519 1.608 50 0 HDAAMO NC(=O)[C@@H]1CCC[N@@H+](CCCNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1 ZINC000065591186 569236673 /nfs/dbraw/zinc/23/66/73/569236673.db2.gz JWDRMFIGJWVHJD-LLVKDONJSA-N 1 1 411.421 1.710 50 0 HDAAMO Cn1c2nc(N3CC[NH+](C)CC3)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O ZINC000002429042 569282726 /nfs/dbraw/zinc/28/27/26/569282726.db2.gz YSVXFXZYWCRMNK-UHFFFAOYSA-N 1 1 418.501 1.387 50 0 HDAAMO CC(C)C[NH+]1CCN([C@H]2CCOC3(CCN(C(=O)c4cn(C)cn4)CC3)C2)CC1 ZINC000581819788 569320686 /nfs/dbraw/zinc/32/06/86/569320686.db2.gz KXUFKDGGHDTLFQ-IBGZPJMESA-N 1 1 403.571 1.848 50 0 HDAAMO COC[C@@H](C)NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000253369353 569364785 /nfs/dbraw/zinc/36/47/85/569364785.db2.gz BKMDEKIWKFBFPQ-CVEARBPZSA-N 1 1 414.547 1.023 50 0 HDAAMO COC[C@@H](C)NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000253369353 569364787 /nfs/dbraw/zinc/36/47/87/569364787.db2.gz BKMDEKIWKFBFPQ-CVEARBPZSA-N 1 1 414.547 1.023 50 0 HDAAMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)cc1C ZINC000013004015 569406512 /nfs/dbraw/zinc/40/65/12/569406512.db2.gz DZUJFBIBXQKWIT-UHFFFAOYSA-N 1 1 423.579 1.543 50 0 HDAAMO CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCC(C)C)cc1 ZINC000013375890 569413123 /nfs/dbraw/zinc/41/31/23/569413123.db2.gz CSJICZKQFLTIDT-IRXDYDNUSA-N 1 1 402.538 1.220 50 0 HDAAMO Cc1ccc(N2C(=O)N(CC(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)C(=O)[C@@H]2C)cc1 ZINC000039983365 571136273 /nfs/dbraw/zinc/13/62/73/571136273.db2.gz AWBDIAQDNFQWSG-HKUYNNGSSA-N 1 1 416.522 1.625 50 0 HDAAMO CC[C@]1(C)NC(=O)N(NC(=O)CN2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)C1=O ZINC000039990608 571136692 /nfs/dbraw/zinc/13/66/92/571136692.db2.gz FHGSISKMFWKRJM-QFIPXVFZSA-N 1 1 415.538 1.679 50 0 HDAAMO CN(C)C(=O)Cc1ccc(NC(=O)NC[C@H]([C@H]2CCOC2)[NH+]2CCOCC2)cc1 ZINC000069414175 571227753 /nfs/dbraw/zinc/22/77/53/571227753.db2.gz OPMRPEWBMLPHNE-PKOBYXMFSA-N 1 1 404.511 1.176 50 0 HDAAMO O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1)Nc1cc(N2CCCC2=O)ccc1F ZINC000069460008 571228326 /nfs/dbraw/zinc/22/83/26/571228326.db2.gz RNENPDUQKAZBCO-DNVCBOLYSA-N 1 1 420.485 1.811 50 0 HDAAMO COC(=O)c1ccc(S(=O)(=O)N2CCC[N@H+](CCn3nc(C)cc3C)CC2)cc1 ZINC000077100065 571311185 /nfs/dbraw/zinc/31/11/85/571311185.db2.gz BSXUYBCZJKYHHN-UHFFFAOYSA-N 1 1 420.535 1.683 50 0 HDAAMO COC(=O)c1ccc(S(=O)(=O)N2CCC[N@@H+](CCn3nc(C)cc3C)CC2)cc1 ZINC000077100065 571311186 /nfs/dbraw/zinc/31/11/86/571311186.db2.gz BSXUYBCZJKYHHN-UHFFFAOYSA-N 1 1 420.535 1.683 50 0 HDAAMO Cc1nnc(NC(=O)CN2CC[NH+](CCn3ccnc3-c3ccccc3)CC2)s1 ZINC000077159560 571311775 /nfs/dbraw/zinc/31/17/75/571311775.db2.gz AQHQFMONGXLOJE-UHFFFAOYSA-N 1 1 411.535 1.966 50 0 HDAAMO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000078480252 571313409 /nfs/dbraw/zinc/31/34/09/571313409.db2.gz VFRHPHOXJBOKBX-CYBMUJFWSA-N 1 1 422.476 1.728 50 0 HDAAMO Cc1nnc(SCC[NH2+]Cc2cccc(OC[C@@H](O)CN3CCOCC3)c2)[nH]1 ZINC000012430540 1073942769 /nfs/dbraw/zinc/94/27/69/1073942769.db2.gz NOZRUEMJEKRLKL-KRWDZBQOSA-N 1 1 407.540 1.067 50 0 HDAAMO Cc1nn(C)c(C)c1CCC(=O)N1CCC2(C[C@@H](CN3CCOCC3)[N@@H+](C)C2)CC1 ZINC000169787125 1076034546 /nfs/dbraw/zinc/03/45/46/1076034546.db2.gz NKXPZJABQBNVPM-FQEVSTJZSA-N 1 1 417.598 1.615 50 0 HDAAMO COc1ccc(CCn2ccc3nc(N4CC[NH+](C)CC4)ncc3c2=O)cc1OC ZINC000009290377 132338233 /nfs/dbraw/zinc/33/82/33/132338233.db2.gz YYRYGPCVZTVLML-UHFFFAOYSA-N 1 1 409.490 1.803 50 0 HDAAMO CC[N@@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(OC)cc1 ZINC000045966811 521633079 /nfs/dbraw/zinc/63/30/79/521633079.db2.gz OWBWOUXLBDTOJZ-LJQANCHMSA-N 1 1 402.539 1.444 50 0 HDAAMO CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(OC)cc1 ZINC000045966811 521633080 /nfs/dbraw/zinc/63/30/80/521633080.db2.gz OWBWOUXLBDTOJZ-LJQANCHMSA-N 1 1 402.539 1.444 50 0 HDAAMO CC[N@@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(F)c(F)c1 ZINC000045966776 521653737 /nfs/dbraw/zinc/65/37/37/521653737.db2.gz ZANWKHRSJVFNMG-KRWDZBQOSA-N 1 1 408.493 1.713 50 0 HDAAMO CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(F)c(F)c1 ZINC000045966776 521653741 /nfs/dbraw/zinc/65/37/41/521653741.db2.gz ZANWKHRSJVFNMG-KRWDZBQOSA-N 1 1 408.493 1.713 50 0 HDAAMO CC[NH+]1CCN(C(=O)[C@@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)CC1 ZINC000020568041 521666386 /nfs/dbraw/zinc/66/63/86/521666386.db2.gz CYKOGOXYBARSPN-CYBMUJFWSA-N 1 1 403.932 1.667 50 0 HDAAMO CN1CC[NH+](Cc2ccccc2CNC(=O)CN2C(=O)COc3ccccc32)CC1 ZINC000032915605 523911132 /nfs/dbraw/zinc/91/11/32/523911132.db2.gz MWJDNUJHEGSHGK-UHFFFAOYSA-N 1 1 408.502 1.476 50 0 HDAAMO C[C@@H](CNC(=O)CCn1c2ccccc2c(=O)[nH]c1=O)[N@H+]1CCc2ccccc2C1 ZINC000032800731 524650390 /nfs/dbraw/zinc/65/03/90/524650390.db2.gz VZNXYERPEJOVAU-INIZCTEOSA-N 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ZINC000034677343 557364871 /nfs/dbraw/zinc/36/48/71/557364871.db2.gz BJXJDDGIRNUQPF-INIZCTEOSA-N 1 1 420.485 1.889 50 0 HDAAMO O=C(NCCCc1ccc(F)cc1)[C@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000019757476 558274852 /nfs/dbraw/zinc/27/48/52/558274852.db2.gz DUUVLONMZAYKPP-IBGZPJMESA-N 1 1 405.514 1.835 50 0 HDAAMO CN(CCCC[NH+]1CCOCC1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1 ZINC000011844443 558288933 /nfs/dbraw/zinc/28/89/33/558288933.db2.gz YWOAMBPODIHIHH-HXUWFJFHSA-N 1 1 420.529 1.087 50 0 HDAAMO CS(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000019891224 558303274 /nfs/dbraw/zinc/30/32/74/558303274.db2.gz PEEJQCZGHAHPFG-UHFFFAOYSA-N 1 1 401.532 1.793 50 0 HDAAMO O=c1cc(C[N@@H+]2C[C@H](O)[C@@H](N3CCN(c4ccccn4)CC3)C2)[nH]c2ccccc12 ZINC000020271527 558353187 /nfs/dbraw/zinc/35/31/87/558353187.db2.gz RJFWMUXBLLKDOV-UNMCSNQZSA-N 1 1 405.502 1.290 50 0 HDAAMO COc1cc2c(cc1OC)-c1cc(NCCC[NH+]3CCOCC3)nc(=O)n1CC2 ZINC000020533444 558384664 /nfs/dbraw/zinc/38/46/64/558384664.db2.gz BGOJCDWQBJSDGS-UHFFFAOYSA-N 1 1 400.479 1.618 50 0 HDAAMO COC(=O)c1cccc(C(=O)N2CCC[C@H](CCC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000020534611 558385538 /nfs/dbraw/zinc/38/55/38/558385538.db2.gz FUMLYXCLSPZXTM-QGZVFWFLSA-N 1 1 401.507 1.880 50 0 HDAAMO CC1CCN(Cc2nnnn2CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000012433052 558407061 /nfs/dbraw/zinc/40/70/61/558407061.db2.gz XDOANZAJIGBPGJ-HXUWFJFHSA-N 1 1 411.554 1.686 50 0 HDAAMO CSc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)cc1 ZINC000020920249 558423446 /nfs/dbraw/zinc/42/34/46/558423446.db2.gz DHQNAADPHXHTDC-GOSISDBHSA-N 1 1 415.563 1.896 50 0 HDAAMO COC(=O)c1ccc(C[NH+]2CCN(CCN3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@@H]4C3=O)CC2)cc1 ZINC000022938917 558527805 /nfs/dbraw/zinc/52/78/05/558527805.db2.gz BQEDZOGNIWVNPJ-WOZUAGRISA-N 1 1 423.513 1.398 50 0 HDAAMO COC(=O)CNC(=O)CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023213163 558542892 /nfs/dbraw/zinc/54/28/92/558542892.db2.gz QGSCZMXMLQXQRC-UHFFFAOYSA-N 1 1 423.513 1.990 50 0 HDAAMO Cc1cccc(N2CCN(C(=O)NC[C@@H]([C@@H]3CCOC3)[NH+]3CCOCC3)CC2)c1C ZINC000026308007 558658975 /nfs/dbraw/zinc/65/89/75/558658975.db2.gz ZRXXJXORPJGSJJ-IRLDBZIGSA-N 1 1 416.566 1.872 50 0 HDAAMO O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000026308503 558658994 /nfs/dbraw/zinc/65/89/94/558658994.db2.gz HLIPSQABCVIUNP-PXNSSMCTSA-N 1 1 422.957 1.909 50 0 HDAAMO Cc1cccc(N2CCN(C(=O)NC[C@H]([C@@H]3CCOC3)[NH+]3CCOCC3)CC2)c1C ZINC000026308012 558659018 /nfs/dbraw/zinc/65/90/18/558659018.db2.gz ZRXXJXORPJGSJJ-IFMALSPDSA-N 1 1 416.566 1.872 50 0 HDAAMO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1)N1CCN(c2ccccc2F)CC1 ZINC000026308393 558659051 /nfs/dbraw/zinc/65/90/51/558659051.db2.gz AONGEBLOPCZMPM-XLIONFOSSA-N 1 1 406.502 1.395 50 0 HDAAMO CNC(=O)C1CC[NH+]([C@@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)CC1 ZINC000029165405 558711239 /nfs/dbraw/zinc/71/12/39/558711239.db2.gz FVXAIRJEZFJKDQ-NSHDSACASA-N 1 1 412.412 1.837 50 0 HDAAMO CC(C)c1nnc2ccc(N3CCC[C@H](C(=O)NCCC[NH+]4CCOCC4)C3)nn21 ZINC000031807898 558752695 /nfs/dbraw/zinc/75/26/95/558752695.db2.gz BSYNTRSSKZPBGA-KRWDZBQOSA-N 1 1 415.542 1.303 50 0 HDAAMO CCN(C(=O)C[N@@H+]1CC(C)(C)C1(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000072311965 558798241 /nfs/dbraw/zinc/79/82/41/558798241.db2.gz RQENNFAWTWEVSJ-UHFFFAOYSA-N 1 1 413.522 1.640 50 0 HDAAMO CCN(C(=O)C[N@H+]1CC(C)(C)C1(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000072311965 558798242 /nfs/dbraw/zinc/79/82/42/558798242.db2.gz RQENNFAWTWEVSJ-UHFFFAOYSA-N 1 1 413.522 1.640 50 0 HDAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1-c1cc(=O)[nH]c(N2CCc3ccccc3C2)n1 ZINC000039383771 558820602 /nfs/dbraw/zinc/82/06/02/558820602.db2.gz YJKVEHDZCCREPW-UHFFFAOYSA-N 1 1 417.517 1.850 50 0 HDAAMO O=C(NCCC[NH+]1CCOCC1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000033023957 558841055 /nfs/dbraw/zinc/84/10/55/558841055.db2.gz RDPKUWYEWIGHOI-UHFFFAOYSA-N 1 1 417.531 1.617 50 0 HDAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000046959708 558841461 /nfs/dbraw/zinc/84/14/61/558841461.db2.gz JBEOSRUXQUHTBA-KRWDZBQOSA-N 1 1 409.552 1.559 50 0 HDAAMO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)N1CC[NH+](CCO)CC1 ZINC000019372516 558879810 /nfs/dbraw/zinc/87/98/10/558879810.db2.gz ZKXBIXRLLTWDOB-CYBMUJFWSA-N 1 1 406.458 1.421 50 0 HDAAMO CC[NH+]1CCN(C(=O)c2cc3c(nc4c(C)cccn4c3=O)n2CCCOC)CC1 ZINC000055566583 558882600 /nfs/dbraw/zinc/88/26/00/558882600.db2.gz HZMFVKOYWQYXPM-UHFFFAOYSA-N 1 1 411.506 1.772 50 0 HDAAMO CN1CCN(C(=O)C[C@@H]2C(=O)NCC[N@@H+]2CC(c2ccccc2)c2ccccc2)CC1 ZINC000072150902 558929440 /nfs/dbraw/zinc/92/94/40/558929440.db2.gz IGEFPRBULGKLKM-HSZRJFAPSA-N 1 1 420.557 1.783 50 0 HDAAMO COc1ccc(CN(C)Cc2nonc2C)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000019608728 558946868 /nfs/dbraw/zinc/94/68/68/558946868.db2.gz FBBQHDMRDFKMHY-GOSISDBHSA-N 1 1 419.526 1.006 50 0 HDAAMO Cc1ccc(NC(=O)c2nnc(C(=O)NCCC[NH+]3CCN(C)CC3)s2)cc1 ZINC000033060418 558954870 /nfs/dbraw/zinc/95/48/70/558954870.db2.gz BECRRVZPARTHHV-UHFFFAOYSA-N 1 1 402.524 1.466 50 0 HDAAMO COc1ccc(C(=O)NCCNc2cc(N3CCOCC3)[nH+]c(C)n2)cc1OC ZINC000065362843 558973741 /nfs/dbraw/zinc/97/37/41/558973741.db2.gz WJTBIPWAHXUHQS-UHFFFAOYSA-N 1 1 401.467 1.481 50 0 HDAAMO O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000072441598 558981803 /nfs/dbraw/zinc/98/18/03/558981803.db2.gz AOYVHARIJFMAHI-UHFFFAOYSA-N 1 1 423.926 1.478 50 0 HDAAMO O=C(COc1cccc(-n2cnnn2)c1)N[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072474246 558983646 /nfs/dbraw/zinc/98/36/46/558983646.db2.gz WBKIPCUMGIRADK-IBGZPJMESA-N 1 1 406.490 1.864 50 0 HDAAMO Cc1[nH+]ccn1-c1cc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)ncn1 ZINC000067601820 558987560 /nfs/dbraw/zinc/98/75/60/558987560.db2.gz LOWPVZLSSVJFQF-UHFFFAOYSA-N 1 1 420.445 1.760 50 0 HDAAMO CC[NH+]1CCN(C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccc(OC)c5)C(=O)[C@@H]24)O3)CC1 ZINC000077459050 559006021 /nfs/dbraw/zinc/00/60/21/559006021.db2.gz GRNQMGHBSJTIAF-VAWZGJIGSA-N 1 1 411.502 1.141 50 0 HDAAMO COC[C@H]1CCC[N@H+]1Cc1ccc(C(=O)NCc2cn3cc(C)sc3n2)c(=O)[nH]1 ZINC000077488014 559007222 /nfs/dbraw/zinc/00/72/22/559007222.db2.gz FSYZUQINEPIUJR-MRXNPFEDSA-N 1 1 415.519 1.933 50 0 HDAAMO Cc1ncc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c(=O)[nH]1 ZINC000082096461 559037301 /nfs/dbraw/zinc/03/73/01/559037301.db2.gz GUGSNOZMZYUSPB-MRXNPFEDSA-N 1 1 401.511 1.017 50 0 HDAAMO O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CCOCC3)CC2)C1 ZINC000082127263 559039877 /nfs/dbraw/zinc/03/98/77/559039877.db2.gz RKLQUHREELSHMW-IBGZPJMESA-N 1 1 414.550 1.827 50 0 HDAAMO COc1ccnc(N2CCC([N@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)n1 ZINC000082138426 559040520 /nfs/dbraw/zinc/04/05/20/559040520.db2.gz CTHVZPIKXFVVST-KRWDZBQOSA-N 1 1 410.522 1.877 50 0 HDAAMO COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)NCCC[NH+]3CCOCC3)CS[C@@H]21 ZINC000033348686 559065221 /nfs/dbraw/zinc/06/52/21/559065221.db2.gz NKVDLRWPSVNQCQ-VLIAUNLRSA-N 1 1 421.519 1.112 50 0 HDAAMO COc1cc(C[N@H+](C)Cc2ccccn2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000095505772 559083212 /nfs/dbraw/zinc/08/32/12/559083212.db2.gz BYERGKDCSGROBV-HXUWFJFHSA-N 1 1 401.507 1.794 50 0 HDAAMO COc1cc(C[N@@H+](C)Cc2ccccn2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000095505772 559083214 /nfs/dbraw/zinc/08/32/14/559083214.db2.gz BYERGKDCSGROBV-HXUWFJFHSA-N 1 1 401.507 1.794 50 0 HDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2cc(C)[nH]c(=O)c2)CC1 ZINC000095519609 559084869 /nfs/dbraw/zinc/08/48/69/559084869.db2.gz CFBCJJBCAJQZDF-LJQANCHMSA-N 1 1 402.539 1.916 50 0 HDAAMO COCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)C[C@@H](C)[NH+]1CCCC1)CC2 ZINC000095520283 559085084 /nfs/dbraw/zinc/08/50/84/559085084.db2.gz VYZPBGYAEJPFJT-MRXNPFEDSA-N 1 1 403.527 1.133 50 0 HDAAMO Cc1n[nH]c(CCC(=O)N2CCC3(CCC(=O)N([C@@H]4CC[N@H+](C)C4)C3)CC2)c1C ZINC000095519759 559085122 /nfs/dbraw/zinc/08/51/22/559085122.db2.gz MAAMTUXLEQXNFJ-GOSISDBHSA-N 1 1 401.555 1.894 50 0 HDAAMO Cc1[nH]nc(CCC(=O)N2CCC3(CCC(=O)N([C@@H]4CC[N@@H+](C)C4)C3)CC2)c1C ZINC000095519759 559085124 /nfs/dbraw/zinc/08/51/24/559085124.db2.gz MAAMTUXLEQXNFJ-GOSISDBHSA-N 1 1 401.555 1.894 50 0 HDAAMO Cc1[nH]nc(CCC(=O)N2CCC3(CCC(=O)N([C@@H]4CC[N@H+](C)C4)C3)CC2)c1C ZINC000095519759 559085125 /nfs/dbraw/zinc/08/51/25/559085125.db2.gz MAAMTUXLEQXNFJ-GOSISDBHSA-N 1 1 401.555 1.894 50 0 HDAAMO COc1cccc(CNC(=O)CC[C@H]2CCC[N@@H+](CC(=O)N3CCOCC3)C2)c1 ZINC000095523713 559085583 /nfs/dbraw/zinc/08/55/83/559085583.db2.gz LHZISDCVTZIQKT-GOSISDBHSA-N 1 1 403.523 1.662 50 0 HDAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N3C[C@@H](O)C[C@H]3C(N)=O)c2c1C ZINC000247841346 559162883 /nfs/dbraw/zinc/16/28/83/559162883.db2.gz QCZIEHGDKWZQSQ-GJZGRUSLSA-N 1 1 403.552 1.965 50 0 HDAAMO C[C@@H]1Sc2ccc(C(=O)NCCC[N@H+]3CCC[C@H]3C(=O)N(C)C)cc2NC1=O ZINC000247963638 559257120 /nfs/dbraw/zinc/25/71/20/559257120.db2.gz FXOBBRDJNYDYRA-BBRMVZONSA-N 1 1 404.536 1.792 50 0 HDAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)c2nc(N3CCOCC3)ncc2Cl)ccn1 ZINC000048304334 568436235 /nfs/dbraw/zinc/43/62/35/568436235.db2.gz JEHWLUIQEUCUGC-UHFFFAOYSA-N 1 1 413.869 1.786 50 0 HDAAMO NC(=O)C[NH+]1CCC(NC(=O)Cn2c3ccccc3n(C3=CCCCC3)c2=O)CC1 ZINC000048333270 568439502 /nfs/dbraw/zinc/43/95/02/568439502.db2.gz JTUXISRBPDKDIH-UHFFFAOYSA-N 1 1 411.506 1.284 50 0 HDAAMO Cn1ccnc1C(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000049543634 568451156 /nfs/dbraw/zinc/45/11/56/568451156.db2.gz JOLWOGOITWIEIO-PKOBYXMFSA-N 1 1 423.517 1.970 50 0 biogenic HDAAMO CC[C@H](C(=O)NCCC[NH+]1CCOCC1)n1c2ccccc2c2nc(=O)cc(C)n21 ZINC000020464957 568610082 /nfs/dbraw/zinc/61/00/82/568610082.db2.gz MLBLGXUQVBUGLK-GOSISDBHSA-N 1 1 411.506 1.747 50 0 HDAAMO Cn1cc(S(=O)(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)cc1C(N)=O ZINC000040118782 568620333 /nfs/dbraw/zinc/62/03/33/568620333.db2.gz YBJVAIFVXGCJMB-IBGZPJMESA-N 1 1 418.563 1.875 50 0 HDAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000020611049 568636986 /nfs/dbraw/zinc/63/69/86/568636986.db2.gz GVZBCTQZBYHBOZ-XITLKHQFSA-N 1 1 424.501 1.232 50 0 biogenic HDAAMO C[C@H](CNC(=O)CCc1nnc2ccc(N3CC[NH+](C)CC3)nn21)c1ccccc1 ZINC000020923590 568651089 /nfs/dbraw/zinc/65/10/89/568651089.db2.gz IUWBRPBCAFJRKL-QGZVFWFLSA-N 1 1 407.522 1.729 50 0 HDAAMO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000096012788 568685039 /nfs/dbraw/zinc/68/50/39/568685039.db2.gz DGPWKEJAEMXSFY-INIZCTEOSA-N 1 1 400.504 1.183 50 0 HDAAMO COc1ccc(-c2nn(CCCC(=O)N3CC[NH+](C)CC3)c(=O)cc2OC)cc1 ZINC000096100915 568691041 /nfs/dbraw/zinc/69/10/41/568691041.db2.gz VNIARCYRJJUNMB-UHFFFAOYSA-N 1 1 400.479 1.482 50 0 HDAAMO Cn1nnnc1COc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000096101291 568691346 /nfs/dbraw/zinc/69/13/46/568691346.db2.gz KELSXKHXOOSHLM-UHFFFAOYSA-N 1 1 414.510 1.554 50 0 HDAAMO CC[NH+]1CCN(C(=O)CCc2nnc3c(=O)n(-c4cc(C)cc(C)c4)ccn23)CC1 ZINC000021540493 568713696 /nfs/dbraw/zinc/71/36/96/568713696.db2.gz CXCSORGDRONXHP-UHFFFAOYSA-N 1 1 408.506 1.594 50 0 HDAAMO CCc1nc2c(s1)c(C)nn(CC(=O)NCC[N@H+]1CCc3ccccc3C1)c2=O ZINC000096400113 568749426 /nfs/dbraw/zinc/74/94/26/568749426.db2.gz SQLZQZMSVAPPBL-UHFFFAOYSA-N 1 1 411.531 1.898 50 0 HDAAMO CCOC(=O)C1=C(C[NH+]2CCC(C(N)=O)CC2)NC(=O)N[C@@H]1c1ccccc1Cl ZINC000057478352 568839811 /nfs/dbraw/zinc/83/98/11/568839811.db2.gz XXICUJGUYDZMIF-QGZVFWFLSA-N 1 1 420.897 1.708 50 0 HDAAMO Cn1nccc1C[NH+]1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299759549 568873204 /nfs/dbraw/zinc/87/32/04/568873204.db2.gz UNDLJSQZIKCJOB-HXUWFJFHSA-N 1 1 402.470 1.830 50 0 HDAAMO CNc1cc(C)nc(NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)n1 ZINC000299763153 568873414 /nfs/dbraw/zinc/87/34/14/568873414.db2.gz PGTIHBPSRSCLAD-SFHVURJKSA-N 1 1 402.543 1.588 50 0 HDAAMO CC(C)CNC(=O)C[NH+]1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299764317 568873503 /nfs/dbraw/zinc/87/35/03/568873503.db2.gz UESUSFDCDMZMRJ-HXUWFJFHSA-N 1 1 421.513 1.669 50 0 HDAAMO CC(C)CNC(=O)C[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299764314 568873571 /nfs/dbraw/zinc/87/35/71/568873571.db2.gz UESUSFDCDMZMRJ-FQEVSTJZSA-N 1 1 421.513 1.669 50 0 HDAAMO CCOC(=O)[C@](NC(=O)OCc1ccccc1)(NN1CC[NH+](C)CC1)C(F)(F)F ZINC000019169371 568878158 /nfs/dbraw/zinc/87/81/58/568878158.db2.gz HISXESCXZNYZBZ-KRWDZBQOSA-N 1 1 418.416 1.487 50 0 biogenic HDAAMO CCCC[N@H+]1CCn2nc(CNC(=O)NCc3nc(C(F)(F)F)n[nH]3)cc2C1 ZINC000534593072 568878183 /nfs/dbraw/zinc/87/81/83/568878183.db2.gz XUNJTVCWDCOQEH-UHFFFAOYSA-N 1 1 400.409 1.635 50 0 HDAAMO COc1ccc(CN2CCNC(=O)C2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012714294 568917868 /nfs/dbraw/zinc/91/78/68/568917868.db2.gz SJWMYCXURMHJRA-HXUWFJFHSA-N 1 1 413.518 1.499 50 0 HDAAMO Cc1cccc(N2CC[NH+](CCNC(=O)c3cccnc3N3CCOCC3)CC2)c1 ZINC000031544412 568927724 /nfs/dbraw/zinc/92/77/24/568927724.db2.gz XZVOVYRZBFAGKC-UHFFFAOYSA-N 1 1 409.534 1.779 50 0 HDAAMO C[C@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)C1 ZINC000012766428 568948571 /nfs/dbraw/zinc/94/85/71/568948571.db2.gz IWFDAPJVGMECFP-AWEZNQCLSA-N 1 1 401.479 1.530 50 0 HDAAMO CCO[C@H]1CCCN(c2nc(NCCOC)[nH+]c(N3CCC[C@H](OCC)C3)n2)C1 ZINC000084801070 568960051 /nfs/dbraw/zinc/96/00/51/568960051.db2.gz YKSPBMBCKGOXID-IRXDYDNUSA-N 1 1 408.547 1.941 50 0 HDAAMO COc1ccccc1-n1cc(CNC(=O)CC[N@H+](C)[C@H]2CCS(=O)(=O)C2)cn1 ZINC000670464083 568960684 /nfs/dbraw/zinc/96/06/84/568960684.db2.gz FOFYRMVAUVHFOG-INIZCTEOSA-N 1 1 406.508 1.006 50 0 HDAAMO COc1ccccc1-n1cc(CNC(=O)CC[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cn1 ZINC000670464083 568960685 /nfs/dbraw/zinc/96/06/85/568960685.db2.gz FOFYRMVAUVHFOG-INIZCTEOSA-N 1 1 406.508 1.006 50 0 HDAAMO NC(=O)COc1ccc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000670465042 568968145 /nfs/dbraw/zinc/96/81/45/568968145.db2.gz FOTYYMMTAQXNEQ-GOSISDBHSA-N 1 1 417.531 1.709 50 0 HDAAMO C[NH+]1CCN(c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)CC1 ZINC000008225538 568983260 /nfs/dbraw/zinc/98/32/60/568983260.db2.gz VFPQTLFUKQWUHN-UHFFFAOYSA-N 1 1 408.549 1.583 50 0 HDAAMO COc1cc(C(=O)N2CCN(c3cc(N(C)C)nc(C)[nH+]3)CC2)cc(OC)c1OC ZINC000015838296 569013705 /nfs/dbraw/zinc/01/37/05/569013705.db2.gz ASSSRZLXJRAQPQ-UHFFFAOYSA-N 1 1 415.494 1.839 50 0 HDAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)[NH2+][C@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000245256322 569055512 /nfs/dbraw/zinc/05/55/12/569055512.db2.gz OWTVRJFUUJRVCS-JQONSGOWSA-N 1 1 405.882 1.548 50 0 HDAAMO CN(C[C@H](O)C[NH+]1CCN(C)CC1)C(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC000089382669 569058813 /nfs/dbraw/zinc/05/88/13/569058813.db2.gz CNRODABAPHPXLP-INIZCTEOSA-N 1 1 403.445 1.585 50 0 HDAAMO CC[NH+]1CCN(C(=O)Cn2c3ccccc3c(=O)n(-c3ccc(F)cc3)c2=O)CC1 ZINC000035805540 569060677 /nfs/dbraw/zinc/06/06/77/569060677.db2.gz RWMFHQUMVSWURV-UHFFFAOYSA-N 1 1 410.449 1.456 50 0 HDAAMO CCOc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(CCC[NH+]2CCOCC2)C3)cc1 ZINC000035834552 569062125 /nfs/dbraw/zinc/06/21/25/569062125.db2.gz MBKNWTOLIWDGRT-HXUWFJFHSA-N 1 1 414.506 1.600 50 0 HDAAMO CCC(=O)N1CCN(c2nc(C[NH+]3CCN(c4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035925313 569066346 /nfs/dbraw/zinc/06/63/46/569066346.db2.gz OCMLHCKXBOLLIW-UHFFFAOYSA-N 1 1 410.522 1.151 50 0 HDAAMO Cn1cncc1C[NH+]1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000426444928 569073035 /nfs/dbraw/zinc/07/30/35/569073035.db2.gz LDCGIJDRDMTQQY-HXUWFJFHSA-N 1 1 402.470 1.830 50 0 HDAAMO C[N@@H+](CCNC(=O)c1cc(=O)nc2sc(N3CCCC3)nn21)C1CCCCC1 ZINC000064837032 569105059 /nfs/dbraw/zinc/10/50/59/569105059.db2.gz DUKJVLAMCYUBKC-UHFFFAOYSA-N 1 1 404.540 1.746 50 0 HDAAMO COc1ccc(-c2ccc(N3CC[NH+](C)CC3)nn2)cc1S(=O)(=O)N1CCCC1 ZINC000065009603 569153459 /nfs/dbraw/zinc/15/34/59/569153459.db2.gz OMANMVUSSWSQCO-UHFFFAOYSA-N 1 1 417.535 1.689 50 0 HDAAMO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F)c1ccco1 ZINC000006859698 569157500 /nfs/dbraw/zinc/15/75/00/569157500.db2.gz YKIQIAFUUFKNJX-HZPDHXFCSA-N 1 1 409.483 1.991 50 0 HDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1 ZINC000065117638 569180650 /nfs/dbraw/zinc/18/06/50/569180650.db2.gz LUWFNGDDTQRYGU-CQSZACIVSA-N 1 1 422.507 1.309 50 0 HDAAMO O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000089840317 569267010 /nfs/dbraw/zinc/26/70/10/569267010.db2.gz PWORPNHVVBMRBK-FQEVSTJZSA-N 1 1 421.563 1.304 50 0 HDAAMO O=C(NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000017178524 569276289 /nfs/dbraw/zinc/27/62/89/569276289.db2.gz ASFDPSLXRRWTBR-HXUWFJFHSA-N 1 1 411.458 1.934 50 0 HDAAMO O=C(NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000017178524 569276290 /nfs/dbraw/zinc/27/62/90/569276290.db2.gz ASFDPSLXRRWTBR-HXUWFJFHSA-N 1 1 411.458 1.934 50 0 HDAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000252383347 569285201 /nfs/dbraw/zinc/28/52/01/569285201.db2.gz KYBSGTWCHDEYMC-XYPYWFNJSA-N 1 1 405.882 1.548 50 0 HDAAMO CCn1ccnc1CN1CC[N@H+](CCC(=O)Nc2sccc2C(N)=O)C[C@H]1C ZINC000252506795 569291234 /nfs/dbraw/zinc/29/12/34/569291234.db2.gz VBAKNNODGVRKAE-CQSZACIVSA-N 1 1 404.540 1.598 50 0 HDAAMO CCn1ccnc1CN1CC[N@@H+](CCC(=O)Nc2sccc2C(N)=O)C[C@H]1C ZINC000252506795 569291236 /nfs/dbraw/zinc/29/12/36/569291236.db2.gz VBAKNNODGVRKAE-CQSZACIVSA-N 1 1 404.540 1.598 50 0 HDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)CCCn2cncn2)CC1 ZINC000012050795 569364988 /nfs/dbraw/zinc/36/49/88/569364988.db2.gz WEABWPAODKCKRK-LJQANCHMSA-N 1 1 404.559 1.678 50 0 HDAAMO CCCOc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000002433199 569399372 /nfs/dbraw/zinc/39/93/72/569399372.db2.gz HAQDQEDHWVVODD-SFHVURJKSA-N 1 1 417.487 1.545 50 0 HDAAMO COc1ccccc1CC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1cccs1 ZINC000013371148 569412831 /nfs/dbraw/zinc/41/28/31/569412831.db2.gz ZRILYTYRXPJDLQ-HOCLYGCPSA-N 1 1 415.558 1.528 50 0 HDAAMO COc1cccc(CC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2cccs2)c1 ZINC000013371151 569412873 /nfs/dbraw/zinc/41/28/73/569412873.db2.gz QTPZZNXDZTXQDC-HOTGVXAUSA-N 1 1 415.558 1.528 50 0 HDAAMO C[NH+]1CCN([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)c2ccco2)CC1 ZINC000019819982 569430638 /nfs/dbraw/zinc/43/06/38/569430638.db2.gz DCHZWTUWRZVSIL-MRXNPFEDSA-N 1 1 407.492 1.318 50 0 HDAAMO CCOc1ccc([C@@H]2NC(=O)N=C(CN3CCC[N@@H+](C)CC3)C2C(=O)OC)cc1 ZINC000067287213 571065090 /nfs/dbraw/zinc/06/50/90/571065090.db2.gz YGDKMQAADCQHSH-IBGZPJMESA-N 1 1 402.495 1.504 50 0 HDAAMO CCOc1ccc([C@@H]2NC(=O)NC(CN3CCC[N@H+](C)CC3)=C2C(=O)OC)cc1 ZINC000067287213 571065092 /nfs/dbraw/zinc/06/50/92/571065092.db2.gz YGDKMQAADCQHSH-IBGZPJMESA-N 1 1 402.495 1.504 50 0 HDAAMO CCOc1ccc([C@@H]2NC(=O)NC(CN3CCC[N@@H+](C)CC3)=C2C(=O)OC)cc1 ZINC000067287213 571065095 /nfs/dbraw/zinc/06/50/95/571065095.db2.gz YGDKMQAADCQHSH-IBGZPJMESA-N 1 1 402.495 1.504 50 0 HDAAMO CCOC(=O)C1=C(C[NH+]2CCCC2)NC(=O)N[C@H]1c1cc(OC)c(OC)cc1OC ZINC000067287360 571065115 /nfs/dbraw/zinc/06/51/15/571065115.db2.gz RHHPFBKVGYCZRR-IBGZPJMESA-N 1 1 419.478 1.979 50 0 HDAAMO CCOC(=O)C1C(CN2CC[NH+](C)CC2)=NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067286955 571065176 /nfs/dbraw/zinc/06/51/76/571065176.db2.gz OIQDJTGWABPUML-GOSISDBHSA-N 1 1 404.536 1.827 50 0 HDAAMO COCCN1[NH+]=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2ccc(C)cc2)c(=O)n1C 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/nfs/dbraw/zinc/28/26/03/571282603.db2.gz QQAZPTAMPNYWFK-INIZCTEOSA-N 1 1 424.505 1.557 50 0 HDAAMO O=C(C[C@@H]1C(=O)NCCN1Cc1cccnc1)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000012387741 1073549086 /nfs/dbraw/zinc/54/90/86/1073549086.db2.gz KBCTZVLAUVPAMM-OAQYLSRUSA-N 1 1 413.566 1.639 50 0 HDAAMO CN(C)S(=O)(=O)N1CCC([NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000618256827 1076063284 /nfs/dbraw/zinc/06/32/84/1076063284.db2.gz MHIIMPALPBURNU-UHFFFAOYSA-N 1 1 421.489 1.493 50 0 HDAAMO CC[NH+](CC)[C@H](CNC(=O)CNC1=NS(=O)(=O)c2ccccc21)c1ccccc1 ZINC000036718729 520862371 /nfs/dbraw/zinc/86/23/71/520862371.db2.gz VTZGHESYNVQSTM-GOSISDBHSA-N 1 1 414.531 1.924 50 0 HDAAMO COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023958682 525096619 /nfs/dbraw/zinc/09/66/19/525096619.db2.gz BJKLPZDVXGHBFU-UHFFFAOYSA-N 1 1 419.503 1.105 50 0 HDAAMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)NC(=O)NCc1ccccc1 ZINC000032542337 526066958 /nfs/dbraw/zinc/06/69/58/526066958.db2.gz BFWJGCWLRXDNOS-CQSZACIVSA-N 1 1 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401.536 1.253 50 0 HDAAMO C[C@@H](CNC(=O)CCc1nnc2ccc(N3CC[NH+](C)CC3)nn21)c1ccccc1 ZINC000020923583 568651063 /nfs/dbraw/zinc/65/10/63/568651063.db2.gz IUWBRPBCAFJRKL-KRWDZBQOSA-N 1 1 407.522 1.729 50 0 HDAAMO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000225771663 568672962 /nfs/dbraw/zinc/67/29/62/568672962.db2.gz DQVISVZOCKKQRM-SJORKVTESA-N 1 1 412.575 1.900 50 0 HDAAMO COc1ccc(OC)c([C@@H]2CN(C(=O)C(C)C)C[C@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000096211843 568704585 /nfs/dbraw/zinc/70/45/85/568704585.db2.gz DLNNZMOMKRBIHR-RBUKOAKNSA-N 1 1 403.523 1.676 50 0 HDAAMO CCOC(=O)N1CCC(Nc2c(=O)c(=O)c2N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000021522417 568708582 /nfs/dbraw/zinc/70/85/82/568708582.db2.gz HIBWJWKVWANYQE-UHFFFAOYSA-N 1 1 418.538 1.770 50 0 HDAAMO CCc1ccc([C@H]2NC(=O)N=C(C[NH+]3CCC(C(N)=O)CC3)C2C(=O)OC)cc1 ZINC000057415172 568833524 /nfs/dbraw/zinc/83/35/24/568833524.db2.gz XLBKCFTWELHDLM-GOSISDBHSA-N 1 1 400.479 1.227 50 0 HDAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1scc2c1OCCO2 ZINC000670448938 568921859 /nfs/dbraw/zinc/92/18/59/568921859.db2.gz LKEDVPOREJCFRQ-BGWLNWIQSA-N 1 1 411.527 1.817 50 0 HDAAMO COC(=O)c1cc(S(=O)(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cn1C ZINC000015731741 568981724 /nfs/dbraw/zinc/98/17/24/568981724.db2.gz LQQJJJFVBOWQTO-UHFFFAOYSA-N 1 1 420.535 1.302 50 0 HDAAMO O=C(c1cnc2sc(N3CCCC3)nn2c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015732770 568982649 /nfs/dbraw/zinc/98/26/49/568982649.db2.gz RSTRLIYBJFPHGZ-UHFFFAOYSA-N 1 1 424.530 1.709 50 0 HDAAMO O=C([C@H]1CCC[N@H+](CN2C(=O)NC3(CCCCCCC3)C2=O)C1)N1CCOCC1 ZINC000012814162 568988277 /nfs/dbraw/zinc/98/82/77/568988277.db2.gz VTHYHDKRBQAUOK-KRWDZBQOSA-N 1 1 406.527 1.550 50 0 HDAAMO O=C([C@H]1CCC[N@@H+](CN2C(=O)NC3(CCCCCCC3)C2=O)C1)N1CCOCC1 ZINC000012814162 568988280 /nfs/dbraw/zinc/98/82/80/568988280.db2.gz VTHYHDKRBQAUOK-KRWDZBQOSA-N 1 1 406.527 1.550 50 0 HDAAMO CCCCN(CC)C(=O)Cn1cnc2nc(N3CC[NH+](CC)CC3)sc2c1=O ZINC000067225892 569004015 /nfs/dbraw/zinc/00/40/15/569004015.db2.gz CEMSBVUUOINTGX-UHFFFAOYSA-N 1 1 406.556 1.644 50 0 HDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4cccc(C)c4)c(=O)c3s2)CC1 ZINC000067225912 569004030 /nfs/dbraw/zinc/00/40/30/569004030.db2.gz IZIXGBMQMRSUNZ-UHFFFAOYSA-N 1 1 412.519 1.942 50 0 HDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)N4C[C@@H](C)C[C@H](C)C4)c(=O)c3s2)CC1 ZINC000067225903 569004036 /nfs/dbraw/zinc/00/40/36/569004036.db2.gz VPUDGMIYGKRHIT-GJZGRUSLSA-N 1 1 418.567 1.499 50 0 HDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(=O)nc2sc(N3CCCCCC3)nn21 ZINC000015861445 569015570 /nfs/dbraw/zinc/01/55/70/569015570.db2.gz GDZKPHYIBLZKLN-CQSZACIVSA-N 1 1 404.540 1.746 50 0 HDAAMO COC[C@H](C)[NH+](Cc1cc(=O)n2ccccc2n1)Cc1cc(=O)n2ccccc2n1 ZINC000012889937 569019875 /nfs/dbraw/zinc/01/98/75/569019875.db2.gz WEBIUTRIQFJPJO-INIZCTEOSA-N 1 1 405.458 1.740 50 0 HDAAMO Cc1cc(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc(S(=O)(=O)N(C)C)c1C ZINC000012947805 569029241 /nfs/dbraw/zinc/02/92/41/569029241.db2.gz QWBBVCJJFWIPFJ-GOSISDBHSA-N 1 1 411.568 1.640 50 0 HDAAMO Cc1c(C(N)=O)sc(NC(=O)CN2CC[N@H+]3CCC[C@H]3C2)c1C(=O)OC(C)C ZINC000239439134 569054418 /nfs/dbraw/zinc/05/44/18/569054418.db2.gz ZMGDKWZHOSZCMJ-ZDUSSCGKSA-N 1 1 408.524 1.439 50 0 HDAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)[NH2+][C@@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000245256323 569055559 /nfs/dbraw/zinc/05/55/59/569055559.db2.gz OWTVRJFUUJRVCS-JZRGCALNSA-N 1 1 405.882 1.548 50 0 HDAAMO NC(=O)c1noc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3=O)n1 ZINC000426410716 569072719 /nfs/dbraw/zinc/07/27/19/569072719.db2.gz ONZVIONZPYPFQI-IBGZPJMESA-N 1 1 405.405 1.461 50 0 HDAAMO NC(=O)c1noc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3=O)n1 ZINC000426410716 569072720 /nfs/dbraw/zinc/07/27/20/569072720.db2.gz ONZVIONZPYPFQI-IBGZPJMESA-N 1 1 405.405 1.461 50 0 HDAAMO Cn1c2c(C(=O)NC[C@@H]3CCCO3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064836026 569104476 /nfs/dbraw/zinc/10/44/76/569104476.db2.gz FESAHQAWFVOROL-KRWDZBQOSA-N 1 1 421.501 1.500 50 0 HDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc([C@]2(CC)CCC(=O)NC2=O)cc1 ZINC000036352089 569147103 /nfs/dbraw/zinc/14/71/03/569147103.db2.gz CGHVAHMREGLLNB-JTSKRJEESA-N 1 1 414.506 1.310 50 0 HDAAMO CC(C)C[NH+]1CCN(C(=O)c2nnc(-c3ccc(S(=O)(=O)N(C)C)cc3)o2)CC1 ZINC000065113966 569180906 /nfs/dbraw/zinc/18/09/06/569180906.db2.gz DALJZNYEFFDCCH-UHFFFAOYSA-N 1 1 421.523 1.401 50 0 HDAAMO CC[NH+]1CCN(C(=O)c2ccc(CN3CCN(c4ccccc4)C(=O)C3=O)cc2)CC1 ZINC000065130135 569182254 /nfs/dbraw/zinc/18/22/54/569182254.db2.gz YIOLQBSTZQABTG-UHFFFAOYSA-N 1 1 420.513 1.840 50 0 HDAAMO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5ncccn5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000002103743 569281749 /nfs/dbraw/zinc/28/17/49/569281749.db2.gz BNFUIDSOFLPLAA-BMWCSLOMSA-N 1 1 412.534 1.884 50 0 biogenic HDAAMO COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000002237453 569322187 /nfs/dbraw/zinc/32/21/87/569322187.db2.gz ISAPBVRTZBWXCB-UHFFFAOYSA-N 1 1 418.450 1.108 50 0 HDAAMO O=C([C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1)N1CC[NH+](C2CC2)CC1 ZINC000253427145 569368311 /nfs/dbraw/zinc/36/83/11/569368311.db2.gz LIXGAWSVIKCOOE-INIZCTEOSA-N 1 1 413.927 1.036 50 0 HDAAMO COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCCc2ccccc2)cc1 ZINC000013371748 569412992 /nfs/dbraw/zinc/41/29/92/569412992.db2.gz APOYVZAOEILSGW-PMACEKPBSA-N 1 1 423.556 1.857 50 0 HDAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)Nc2ccnc(C(=O)N(C)C)c2)C1 ZINC000079023727 569424616 /nfs/dbraw/zinc/42/46/16/569424616.db2.gz UDKGLGXFHVIYSX-IYBDPMFKSA-N 1 1 403.527 1.596 50 0 HDAAMO CCOC(=O)C1=C(C[NH+]2CCCC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000067286435 571064505 /nfs/dbraw/zinc/06/45/05/571064505.db2.gz WJKRYVLVMCGIHF-QGZVFWFLSA-N 1 1 419.478 1.979 50 0 HDAAMO CCOCCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(Cc2cccc(C)c2)c(=O)n1C ZINC000008725069 571107896 /nfs/dbraw/zinc/10/78/96/571107896.db2.gz AFQXNBAWLJPAEK-UHFFFAOYSA-N 1 1 410.478 1.486 50 0 HDAAMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCCN3S(C)(=O)=O)CC2)cc1 ZINC000040086984 571157616 /nfs/dbraw/zinc/15/76/16/571157616.db2.gz UHQXXDJQEBUSNX-IBGZPJMESA-N 1 1 409.552 1.544 50 0 HDAAMO Cc1ccc(NCCN2[NH+]=C(C)[C@@H](C)n3c2nc2c3c(=O)n(C)c(=O)n2C)cc1C ZINC000010108849 571295054 /nfs/dbraw/zinc/29/50/54/571295054.db2.gz OEOOEOIKEIUABJ-OAHLLOKOSA-N 1 1 409.494 1.920 50 0 HDAAMO CC1=NN(CC[N@H+]2CCc3ccccc3C2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C ZINC000010108927 571295182 /nfs/dbraw/zinc/29/51/82/571295182.db2.gz UJVATYHDVCPFJD-OAHLLOKOSA-N 1 1 421.505 1.249 50 0 HDAAMO CCOc1ccccc1N1CCN(C(=O)CC[N@H+](C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000823395385 1076134204 /nfs/dbraw/zinc/13/42/04/1076134204.db2.gz JGVMHPSOASKNOK-QGZVFWFLSA-N 1 1 409.552 1.243 50 0 HDAAMO CCOc1ccccc1N1CCN(C(=O)CC[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000823395385 1076134205 /nfs/dbraw/zinc/13/42/05/1076134205.db2.gz JGVMHPSOASKNOK-QGZVFWFLSA-N 1 1 409.552 1.243 50 0 HDAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCN(c2ncccn2)CC1 ZINC000007362299 132324047 /nfs/dbraw/zinc/32/40/47/132324047.db2.gz ITUCVGVBEILSDG-SFHVURJKSA-N 1 1 409.490 1.734 50 0 HDAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCN(c2ncccn2)CC1 ZINC000007362299 132324049 /nfs/dbraw/zinc/32/40/49/132324049.db2.gz ITUCVGVBEILSDG-SFHVURJKSA-N 1 1 409.490 1.734 50 0 HDAAMO CC[N@@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(OC)c1 ZINC000045966756 521633600 /nfs/dbraw/zinc/63/36/00/521633600.db2.gz JMLZVHOWFGWLTD-LJQANCHMSA-N 1 1 402.539 1.444 50 0 HDAAMO CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(OC)c1 ZINC000045966756 521633604 /nfs/dbraw/zinc/63/36/04/521633604.db2.gz JMLZVHOWFGWLTD-LJQANCHMSA-N 1 1 402.539 1.444 50 0 HDAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cn1nnc2ccccc2c1=O ZINC000263586874 523732024 /nfs/dbraw/zinc/73/20/24/523732024.db2.gz ZFFIASVJEVLQAZ-FXAWDEMLSA-N 1 1 413.522 1.531 50 0 biogenic HDAAMO O=C(c1n[nH]c2c1CCC2)N1CC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)[C@H](O)C1 ZINC000020541902 526912995 /nfs/dbraw/zinc/91/29/95/526912995.db2.gz YXEYIWJCMUMHJQ-WOJBJXKFSA-N 1 1 413.497 1.435 50 0 HDAAMO NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000032778020 526983665 /nfs/dbraw/zinc/98/36/65/526983665.db2.gz JUQPWVNAUFWTKO-NRFANRHFSA-N 1 1 410.493 1.777 50 0 HDAAMO NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000032778020 526983671 /nfs/dbraw/zinc/98/36/71/526983671.db2.gz JUQPWVNAUFWTKO-NRFANRHFSA-N 1 1 410.493 1.777 50 0 HDAAMO O=S(=O)(c1ccc(N2CC[NH+](Cc3ccsc3)CC2)nc1)N1CCOCC1 ZINC000023817413 527277887 /nfs/dbraw/zinc/27/78/87/527277887.db2.gz NWFQITZEXCFINZ-UHFFFAOYSA-N 1 1 408.549 1.486 50 0 HDAAMO CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1 ZINC000001431415 557262434 /nfs/dbraw/zinc/26/24/34/557262434.db2.gz JQBIZXBPTYSEIC-UHFFFAOYSA-N 1 1 408.524 1.140 50 0 HDAAMO O=C(NCCc1nnc2ccc(NCCC[NH+]3CCOCC3)nn21)c1ccccc1 ZINC000022628611 557273566 /nfs/dbraw/zinc/27/35/66/557273566.db2.gz GHNHDOBLLFLIFI-UHFFFAOYSA-N 1 1 409.494 1.231 50 0 HDAAMO CC[NH+]1CCN(C(=O)c2n[nH]c3c2CN(C(=O)Cc2ccc(F)cc2F)CC3)CC1 ZINC000034797239 557472345 /nfs/dbraw/zinc/47/23/45/557472345.db2.gz ABSJDXJMLACIHO-UHFFFAOYSA-N 1 1 417.460 1.593 50 0 HDAAMO COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000004867934 557608412 /nfs/dbraw/zinc/60/84/12/557608412.db2.gz QTXCNNJAKBKPPB-UHFFFAOYSA-N 1 1 415.943 1.843 50 0 HDAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](Cc3cnc(N4CCOCC4)s3)C2)CC1 ZINC000019720838 558259026 /nfs/dbraw/zinc/25/90/26/558259026.db2.gz LXUOHUBPNKWQKC-QGZVFWFLSA-N 1 1 423.583 1.718 50 0 HDAAMO COCCOC(=O)c1c(N)n(CCC[NH+]2CCOCC2)c2nc3ccccc3nc21 ZINC000020083733 558331123 /nfs/dbraw/zinc/33/11/23/558331123.db2.gz WYBQDRVXGHKBEW-UHFFFAOYSA-N 1 1 413.478 1.692 50 0 HDAAMO Cc1c(C(N)=O)sc(NC(=O)CN2CC[N@H+]3CCC[C@@H]3C2)c1C(=O)OC(C)C ZINC000020295038 558354573 /nfs/dbraw/zinc/35/45/73/558354573.db2.gz ZMGDKWZHOSZCMJ-CYBMUJFWSA-N 1 1 408.524 1.439 50 0 HDAAMO CC[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)n1c(=O)[nH]c2ccccc2c1=O ZINC000020412118 558360883 /nfs/dbraw/zinc/36/08/83/558360883.db2.gz IZPXPVWEMSOMDW-HXUWFJFHSA-N 1 1 406.486 1.985 50 0 HDAAMO COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)CCn3cc[nH+]c3C)C2)cc1 ZINC000012437419 558409291 /nfs/dbraw/zinc/40/92/91/558409291.db2.gz DFGFAYJYSHIDCH-QGZVFWFLSA-N 1 1 420.535 1.807 50 0 HDAAMO O[C@@H]1CCC[N@H+](C2CCN(c3nc4nonc4nc3N3CCCCCC3)CC2)C1 ZINC000020782840 558413256 /nfs/dbraw/zinc/41/32/56/558413256.db2.gz UDCKVLPAYGIQGM-MRXNPFEDSA-N 1 1 401.515 1.819 50 0 HDAAMO CCOC(=O)CNC(=O)N1CCC[C@H]([N@@H+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000012702556 558448179 /nfs/dbraw/zinc/44/81/79/558448179.db2.gz VUYGGJVQZDUWRI-KRWDZBQOSA-N 1 1 407.511 1.915 50 0 HDAAMO COc1ccccc1NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]c(C)n2)CC1 ZINC000021795274 558449512 /nfs/dbraw/zinc/44/95/12/558449512.db2.gz AZYOODUFQBVHHH-UHFFFAOYSA-N 1 1 412.494 1.984 50 0 HDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4ccc(F)cc4)c(=O)c3s2)CC1 ZINC000021886452 558454233 /nfs/dbraw/zinc/45/42/33/558454233.db2.gz QISTZQMIONIBAT-UHFFFAOYSA-N 1 1 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/nfs/dbraw/zinc/81/00/27/560810027.db2.gz LGIOKZZBLKYBBP-YRPNKDGESA-N 1 1 419.437 1.705 50 0 HDAAMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(N)=O)c(OC)c1 ZINC000102337286 560810028 /nfs/dbraw/zinc/81/00/28/560810028.db2.gz LGIOKZZBLKYBBP-YRPNKDGESA-N 1 1 419.437 1.705 50 0 HDAAMO COc1ccc(OC[C@H](O)C[N@@H+](CCO)C[C@@H](O)Cn2ccc3ccccc32)cc1 ZINC000012080507 560889043 /nfs/dbraw/zinc/88/90/43/560889043.db2.gz RDLCNKMHHWWUDK-WOJBJXKFSA-N 1 1 414.502 1.745 50 0 HDAAMO COc1cc2c(cc1OC)-c1c(c(C(=O)NCCC[NH+]3CCOCC3)nn1C)C2 ZINC000031809944 568505505 /nfs/dbraw/zinc/50/55/05/568505505.db2.gz PAXZTDVVZJVVCV-UHFFFAOYSA-N 1 1 400.479 1.461 50 0 HDAAMO CC1(C)c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCC[NH+]3CCOCC3)CC(=O)N21 ZINC000020112716 568588776 /nfs/dbraw/zinc/58/87/76/568588776.db2.gz MCNSHRHUUQSZEY-IBGZPJMESA-N 1 1 410.518 1.721 50 0 biogenic HDAAMO CCN1CC[NH+](CCCNC(=O)c2cn(C)c(=O)c3cc(OC)c(OC)cc23)CC1 ZINC000020116048 568589439 /nfs/dbraw/zinc/58/94/39/568589439.db2.gz AOOUPEMRWBFPBT-UHFFFAOYSA-N 1 1 416.522 1.313 50 0 HDAAMO Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCC[NH+]2CCN(C)CC2)o1 ZINC000020240613 568595890 /nfs/dbraw/zinc/59/58/90/568595890.db2.gz HTYJOPSXYANPGO-UHFFFAOYSA-N 1 1 419.547 1.929 50 0 HDAAMO COCc1ccccc1CNC(=O)Nc1ccn(CC(=O)N2CC[NH+](C)CC2)n1 ZINC000095406039 568606164 /nfs/dbraw/zinc/60/61/64/568606164.db2.gz FTWASLYYIMCYOD-UHFFFAOYSA-N 1 1 400.483 1.125 50 0 HDAAMO Cc1nc2ccn(Cc3ccco3)c(=O)c2cc1C(=O)NCCC[NH+]1CCOCC1 ZINC000020991721 568655863 /nfs/dbraw/zinc/65/58/63/568655863.db2.gz HFSBNZULXHIWPS-UHFFFAOYSA-N 1 1 410.474 1.798 50 0 HDAAMO O=C(/C=C\c1cc2c(c(Cl)c1)OCO2)N1CC[NH+](CCC(=O)NC2CC2)CC1 ZINC000096035020 568686998 /nfs/dbraw/zinc/68/69/98/568686998.db2.gz PHERHQIVMWJJFH-RJRFIUFISA-N 1 1 405.882 1.895 50 0 HDAAMO O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000096116487 568696132 /nfs/dbraw/zinc/69/61/32/568696132.db2.gz GHFKYSSADKPBIN-FQEVSTJZSA-N 1 1 421.501 1.299 50 0 biogenic HDAAMO Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)N1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000021882005 568757294 /nfs/dbraw/zinc/75/72/94/568757294.db2.gz NMRFNBGCFPNTHI-UHFFFAOYSA-N 1 1 419.551 1.315 50 0 HDAAMO COc1cc(C[N@@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)ccc1O ZINC000299770592 568874139 /nfs/dbraw/zinc/87/41/39/568874139.db2.gz VPDZGBMTWLFVCC-SFHVURJKSA-N 1 1 423.539 1.297 50 0 HDAAMO COc1cc(C[N@@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)ccc1O ZINC000299770574 568874193 /nfs/dbraw/zinc/87/41/93/568874193.db2.gz VPDZGBMTWLFVCC-GOSISDBHSA-N 1 1 423.539 1.297 50 0 HDAAMO CCN(CC)C(=O)C[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299775885 568874734 /nfs/dbraw/zinc/87/47/34/568874734.db2.gz LLDZQLVZUMOGMU-FQEVSTJZSA-N 1 1 421.513 1.765 50 0 HDAAMO CCN(C)C(=O)C[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299794283 568876027 /nfs/dbraw/zinc/87/60/27/568876027.db2.gz INQHQQKOVYPKIU-IBGZPJMESA-N 1 1 407.486 1.375 50 0 HDAAMO Cc1nnc(SCC(=O)N[C@H]2C3CN4CC2(c2ccccc2)C[N@@H+](C3)CC4)s1 ZINC000670439360 568885448 /nfs/dbraw/zinc/88/54/48/568885448.db2.gz AYKFZTGCWOJLKQ-VDUSKEEQSA-N 1 1 415.588 1.622 50 0 HDAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21)NCCN1CCOC1=O ZINC000012706576 568917676 /nfs/dbraw/zinc/91/76/76/568917676.db2.gz QLESOCFUWHZADI-LJQANCHMSA-N 1 1 410.474 1.099 50 0 HDAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21)NCCN1CCOC1=O ZINC000012706576 568917678 /nfs/dbraw/zinc/91/76/78/568917678.db2.gz QLESOCFUWHZADI-LJQANCHMSA-N 1 1 410.474 1.099 50 0 HDAAMO C[NH+](C)[C@@H](CNc1ccc(S(C)(=O)=O)cc1S(N)(=O)=O)c1ccc(F)cc1 ZINC000083847779 568918581 /nfs/dbraw/zinc/91/85/81/568918581.db2.gz YKEQCLWHKOFOSR-INIZCTEOSA-N 1 1 415.512 1.591 50 0 HDAAMO Cc1cccc2nc(C(=O)N[C@@H]3C4CN5CC3(c3ccccc3)C[N@@H+](C4)CC5)cn21 ZINC000670450901 568926944 /nfs/dbraw/zinc/92/69/44/568926944.db2.gz CKDGKHHJTRHQAJ-NBTXJNEHSA-N 1 1 401.514 1.940 50 0 HDAAMO Cc1cccc(N2CC[NH+](CCNC(=O)c3ccc(N4CCOCC4)nc3)CC2)c1 ZINC000031544403 568927733 /nfs/dbraw/zinc/92/77/33/568927733.db2.gz VXYIXGKAWDJIOG-UHFFFAOYSA-N 1 1 409.534 1.779 50 0 HDAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000084535894 568950551 /nfs/dbraw/zinc/95/05/51/568950551.db2.gz VYFFQAABBMFCSM-INIZCTEOSA-N 1 1 405.458 1.424 50 0 HDAAMO COc1ccccc1-n1cc(CNC(=O)CC[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cn1 ZINC000670464084 568960623 /nfs/dbraw/zinc/96/06/23/568960623.db2.gz FOFYRMVAUVHFOG-MRXNPFEDSA-N 1 1 406.508 1.006 50 0 HDAAMO COc1ccccc1-n1cc(CNC(=O)CC[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cn1 ZINC000670464084 568960625 /nfs/dbraw/zinc/96/06/25/568960625.db2.gz FOFYRMVAUVHFOG-MRXNPFEDSA-N 1 1 406.508 1.006 50 0 HDAAMO CCc1c(C)nn(CC(=O)N[C@H]2C3CN4CC2(c2ccccc2)C[N@@H+](C3)CC4)c1C ZINC000670464094 568960692 /nfs/dbraw/zinc/96/06/92/568960692.db2.gz PHRAFLKPYXCMDW-JWLIYLPMSA-N 1 1 407.562 1.746 50 0 HDAAMO O=C(NCC[N@H+]1CCCC[C@H]1CO)c1sccc1S(=O)(=O)N1CCCC1 ZINC000670466684 568972217 /nfs/dbraw/zinc/97/22/17/568972217.db2.gz NYOMIRTZFBJLJD-AWEZNQCLSA-N 1 1 401.554 1.109 50 0 HDAAMO O=C(NCC[N@@H+]1CCCC[C@H]1CO)c1sccc1S(=O)(=O)N1CCCC1 ZINC000670466684 568972219 /nfs/dbraw/zinc/97/22/19/568972219.db2.gz NYOMIRTZFBJLJD-AWEZNQCLSA-N 1 1 401.554 1.109 50 0 HDAAMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)[NH2+][C@]32C(=O)Nc3ccccc32)cc1 ZINC000015958007 569024656 /nfs/dbraw/zinc/02/46/56/569024656.db2.gz JKKMGPVZDDDLSP-NHKJMJOASA-N 1 1 407.426 1.001 50 0 biogenic HDAAMO Cc1ccccc1-c1cc2n(n1)CCC(=O)N2CC(=O)NCCC[NH+]1CCOCC1 ZINC000035374599 569034275 /nfs/dbraw/zinc/03/42/75/569034275.db2.gz AGQBNNUMHPXSDJ-UHFFFAOYSA-N 1 1 411.506 1.434 50 0 HDAAMO CCO[C@@H]1CCCN(c2nc(NCCOC)[nH+]c(N3CCC[C@@H](OCC)C3)n2)C1 ZINC000229879058 569040693 /nfs/dbraw/zinc/04/06/93/569040693.db2.gz YKSPBMBCKGOXID-IAGOWNOFSA-N 1 1 408.547 1.941 50 0 HDAAMO CO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 ZINC000426471029 569073043 /nfs/dbraw/zinc/07/30/43/569073043.db2.gz ZOVCVKXWHGIDLV-ROUUACIJSA-N 1 1 404.536 1.970 50 0 HDAAMO Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000036163023 569103086 /nfs/dbraw/zinc/10/30/86/569103086.db2.gz PMBSMGDEORNHJW-UHFFFAOYSA-N 1 1 406.508 1.164 50 0 HDAAMO Cn1c2c(C(=O)NC[C@H]3CCCO3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064836028 569104616 /nfs/dbraw/zinc/10/46/16/569104616.db2.gz FESAHQAWFVOROL-QGZVFWFLSA-N 1 1 421.501 1.500 50 0 HDAAMO C[NH+]1CCN(c2ncncc2N2CCC(C(=O)NCc3cccs3)CC2)CC1 ZINC000065226934 569200091 /nfs/dbraw/zinc/20/00/91/569200091.db2.gz OXOAXILLUYUYLH-UHFFFAOYSA-N 1 1 400.552 1.823 50 0 HDAAMO CCCC[NH+]1CCN(Cc2nc3nc(C)cc(N4CCN(CC)CC4)n3n2)CC1 ZINC000065311657 569221039 /nfs/dbraw/zinc/22/10/39/569221039.db2.gz MYRJYFMAVLKBLN-UHFFFAOYSA-N 1 1 400.575 1.492 50 0 HDAAMO CC(=O)N1CCN(Cc2ccc(NC(=O)[C@H]3CCC[N@H+]3C3CCOCC3)cc2)CC1 ZINC000170592317 569241099 /nfs/dbraw/zinc/24/10/99/569241099.db2.gz IUKIHJDWCQCRQR-JOCHJYFZSA-N 1 1 414.550 1.933 50 0 HDAAMO COc1cc2ncn(CC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)c(=O)c2cc1OC ZINC000252522938 569292520 /nfs/dbraw/zinc/29/25/20/569292520.db2.gz BMCMFXYLUJCSQB-QAPCUYQASA-N 1 1 414.506 1.794 50 0 HDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000252571275 569294400 /nfs/dbraw/zinc/29/44/00/569294400.db2.gz XQZGFVDQBHBXOC-JKSUJKDBSA-N 1 1 416.478 1.421 50 0 HDAAMO COCCOCC(=O)N1CCC2(CC1)C[C@H](N1CC[NH+](CC(C)C)CC1)CCO2 ZINC000581819755 569320800 /nfs/dbraw/zinc/32/08/00/569320800.db2.gz IIBXFHXECMMHQK-HXUWFJFHSA-N 1 1 411.587 1.463 50 0 HDAAMO CCOCCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(C/C=C/c2ccccc2)c(=O)n1C ZINC000008724561 569390074 /nfs/dbraw/zinc/39/00/74/569390074.db2.gz MWSVBYFYSFWSBU-DHZHZOJOSA-N 1 1 422.489 1.843 50 0 HDAAMO O=C(c1cccc(CN2CCS(=O)(=O)CC2)c1)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000328592022 569415248 /nfs/dbraw/zinc/41/52/48/569415248.db2.gz OAUXRZNALXYPSF-UHFFFAOYSA-N 1 1 416.547 1.735 50 0 HDAAMO O=S(=O)(c1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000019796922 569430198 /nfs/dbraw/zinc/43/01/98/569430198.db2.gz VSRPMKJRWLLFOQ-PMACEKPBSA-N 1 1 418.540 1.940 50 0 HDAAMO COC(=O)C1C(C[NH+]2CCC3(CC2)OCCO3)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000067287791 571065886 /nfs/dbraw/zinc/06/58/86/571065886.db2.gz SZOPCUZFERBITC-GOSISDBHSA-N 1 1 417.462 1.315 50 0 HDAAMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@H]3CCCN(c4cnccn4)C3)cc2)CC1 ZINC000040111518 571169679 /nfs/dbraw/zinc/16/96/79/571169679.db2.gz DCVPNKYKSMMNOW-FQEVSTJZSA-N 1 1 422.533 1.397 50 0 HDAAMO c1nc2nc(-c3cccnc3)cc(NCCC[NH+]3CCN(c4ncccn4)CC3)n2n1 ZINC000040151428 571199390 /nfs/dbraw/zinc/19/93/90/571199390.db2.gz PSCMGUVXIWEBBO-UHFFFAOYSA-N 1 1 416.493 1.601 50 0 HDAAMO CN(C)C(=O)Cc1ccc(NC(=O)NC[C@H]([C@@H]2CCOC2)[NH+]2CCOCC2)cc1 ZINC000069414172 571227820 /nfs/dbraw/zinc/22/78/20/571227820.db2.gz OPMRPEWBMLPHNE-IEBWSBKVSA-N 1 1 404.511 1.176 50 0 HDAAMO Cn1c2nc(N3CC[NH+](C)CC3)n(Cc3c(Cl)cccc3Cl)c2c(=O)[nH]c1=O ZINC000009291116 571245612 /nfs/dbraw/zinc/24/56/12/571245612.db2.gz YDQQSVNREVZJMT-UHFFFAOYSA-N 1 1 423.304 1.530 50 0 HDAAMO CC(C)[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)[NH+]1CCOCC1 ZINC000070012635 571254228 /nfs/dbraw/zinc/25/42/28/571254228.db2.gz FIAFMHAHWCYAKN-MSOLQXFVSA-N 1 1 417.506 1.493 50 0 HDAAMO COc1cccc(NCCN2[NH+]=C(C)[C@@H](C)n3c2nc2c3c(=O)n(C)c(=O)n2C)c1 ZINC000010108867 571295202 /nfs/dbraw/zinc/29/52/02/571295202.db2.gz SJVDHIPKEFLMFR-CYBMUJFWSA-N 1 1 411.466 1.311 50 0 HDAAMO Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(-n3cc[nH+]c3C)nn2)CC1 ZINC000077197076 571312621 /nfs/dbraw/zinc/31/26/21/571312621.db2.gz OEAKZZUJUSMEIC-UHFFFAOYSA-N 1 1 403.468 1.086 50 0 HDAAMO Cc1cc2nc3sc(C(=O)NCCC[NH+]4CCN(C)CC4)cc(=O)n3c2cc1C ZINC000033009072 571315649 /nfs/dbraw/zinc/31/56/49/571315649.db2.gz RZUGNQKKXBJOON-UHFFFAOYSA-N 1 1 413.547 1.893 50 0 HDAAMO Cc1cc(C(=O)NCC2CCN(C(=O)CN3CCC[N@H+](C)CC3)CC2)cc(C)n1 ZINC000823778389 1076212642 /nfs/dbraw/zinc/21/26/42/1076212642.db2.gz SKWLQDGLVILCRU-UHFFFAOYSA-N 1 1 401.555 1.304 50 0 HDAAMO COc1cc(C)c(C[N@@H+](C)CCn2cc(C(=O)N3CCN(C)CC3)nn2)cc1C ZINC000020542812 522190765 /nfs/dbraw/zinc/19/07/65/522190765.db2.gz DHMOJCVJURYVHL-UHFFFAOYSA-N 1 1 400.527 1.423 50 0 HDAAMO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000032759007 522293238 /nfs/dbraw/zinc/29/32/38/522293238.db2.gz YIQIELDBNDJODX-QGZVFWFLSA-N 1 1 415.512 1.315 50 0 HDAAMO C[N@@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1ccc2c(c1)OCO2 ZINC000032870853 522677160 /nfs/dbraw/zinc/67/71/60/522677160.db2.gz RXYPIUFRCZFXEJ-UHFFFAOYSA-N 1 1 419.503 1.244 50 0 HDAAMO CC(=O)c1ccc(NC(=O)CCc2nnc3ccc(N4CC[NH+](C)CC4)nn32)cc1 ZINC000009743506 534858659 /nfs/dbraw/zinc/85/86/59/534858659.db2.gz ALQNJETYLQTRAD-UHFFFAOYSA-N 1 1 407.478 1.650 50 0 HDAAMO O=C(CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cccs1)N1CCNCC1 ZINC000045945186 526473929 /nfs/dbraw/zinc/47/39/29/526473929.db2.gz MRMRMNCIDNATFJ-UHFFFAOYSA-N 1 1 414.597 1.047 50 0 HDAAMO NC(=O)C1CC[NH+](CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)CC1 ZINC000032751187 526858294 /nfs/dbraw/zinc/85/82/94/526858294.db2.gz KHBLMAWMNZZTNO-QHCPKHFHSA-N 1 1 406.486 1.831 50 0 HDAAMO CCOC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3cc(C)ccc3F)co2)CC1 ZINC000034677342 557364879 /nfs/dbraw/zinc/36/48/79/557364879.db2.gz BJXJDDGIRNUQPF-MRXNPFEDSA-N 1 1 420.485 1.889 50 0 HDAAMO CCOC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(C)c(F)c3)co2)CC1 ZINC000034677471 557365349 /nfs/dbraw/zinc/36/53/49/557365349.db2.gz ACVJNNQTBUZVMT-KRWDZBQOSA-N 1 1 420.485 1.889 50 0 HDAAMO COc1ccccc1-c1cc2n(n1)c(=O)c(CCC(=O)N1CC[NH+](C)CC1)c(C)n2C ZINC000035448373 557568284 /nfs/dbraw/zinc/56/82/84/557568284.db2.gz GCXDQHBCAZAADF-UHFFFAOYSA-N 1 1 423.517 1.724 50 0 HDAAMO O=C1C[C@@H]([NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)C(=O)N1Cc1ccccc1 ZINC000004629394 557574384 /nfs/dbraw/zinc/57/43/84/557574384.db2.gz OJSPIEQJXBMZPX-HXUWFJFHSA-N 1 1 418.497 1.743 50 0 HDAAMO COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000004821228 557603107 /nfs/dbraw/zinc/60/31/07/557603107.db2.gz PAZICYZVKVXKPB-UHFFFAOYSA-N 1 1 403.504 1.908 50 0 HDAAMO 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CC(C)[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)[NH+]1CCOCC1 ZINC000070012628 571254198 /nfs/dbraw/zinc/25/41/98/571254198.db2.gz FIAFMHAHWCYAKN-ROUUACIJSA-N 1 1 417.506 1.493 50 0 HDAAMO O=C(CCN(CC[NH+]1CCCCC1)C(=O)c1ccc(F)c(F)c1)N1CCNCC1 ZINC000035422056 571316857 /nfs/dbraw/zinc/31/68/57/571316857.db2.gz UPNOQMVCFUQRKX-UHFFFAOYSA-N 1 1 408.493 1.715 50 0 HDAAMO COc1ccc(F)c(C[N@H+]2CCC[C@@]3(CCN(C(=O)CCn4cnnn4)C3)C2)c1 ZINC000012468540 1074172777 /nfs/dbraw/zinc/17/27/77/1074172777.db2.gz UXAJZBLLPKLFCI-HXUWFJFHSA-N 1 1 402.474 1.726 50 0 HDAAMO Cc1nonc1OCC[NH2+]Cc1ccccc1OC[C@@H](O)CN1CCSCC1 ZINC000012571362 1075590388 /nfs/dbraw/zinc/59/03/88/1075590388.db2.gz AFUQFZQFJKSKGE-KRWDZBQOSA-N 1 1 408.524 1.335 50 0 HDAAMO COc1cc(C[N@@H+](C)CC2CCOCC2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000012575942 1075706634 /nfs/dbraw/zinc/70/66/34/1075706634.db2.gz VKTGCVDZKIEGFI-FQEVSTJZSA-N 1 1 408.539 1.626 50 0 HDAAMO C[NH+]1CCN(c2ccc3nnc(CCC(=O)Nc4cc(F)ccc4F)n3n2)CC1 ZINC000009743524 132343224 /nfs/dbraw/zinc/34/32/24/132343224.db2.gz OQGSHXVFLPDTGZ-UHFFFAOYSA-N 1 1 401.421 1.726 50 0 HDAAMO CCOC(=O)C1C(C[NH+]2CCC(C(N)=O)CC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560212 520511300 /nfs/dbraw/zinc/51/13/00/520511300.db2.gz GRAHZXLOQSFVFU-GOSISDBHSA-N 1 1 400.479 1.363 50 0 HDAAMO CN(C)c1nc(N2CC[NH+](C)CC2)nc2c1CN(C(=O)OCc1ccccc1)CC2 ZINC000034676745 557363839 /nfs/dbraw/zinc/36/38/39/557363839.db2.gz STMDKYYTMQHBGH-UHFFFAOYSA-N 1 1 410.522 1.989 50 0 HDAAMO COc1cccc(C(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(N(C)C)c3C2)c1 ZINC000034676739 557363906 /nfs/dbraw/zinc/36/39/06/557363906.db2.gz KWWQXKODBDBZLX-UHFFFAOYSA-N 1 1 410.522 1.502 50 0 HDAAMO CC(C)OC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3cccc(F)c3)co2)CC1 ZINC000034677170 557364628 /nfs/dbraw/zinc/36/46/28/557364628.db2.gz FZAMKPKXSIXILS-GOSISDBHSA-N 1 1 420.485 1.970 50 0 HDAAMO CCOC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)CC1 ZINC000034677371 557364791 /nfs/dbraw/zinc/36/47/91/557364791.db2.gz MXTNNMXVMQQITK-SFHVURJKSA-N 1 1 420.485 1.259 50 0 HDAAMO CC[NH+]1CCN(C(=O)c2cc3n(n2)CCN(Cc2cccc(Cl)c2)C3=O)CC1 ZINC000034811080 557464233 /nfs/dbraw/zinc/46/42/33/557464233.db2.gz GGNPNQMUZDOWLC-UHFFFAOYSA-N 1 1 401.898 1.970 50 0 HDAAMO NC(=O)C1([NH+]2CCCCC2)CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000009875039 557850728 /nfs/dbraw/zinc/85/07/28/557850728.db2.gz ZKWYYAYNMIJDNY-UHFFFAOYSA-N 1 1 403.907 1.974 50 0 HDAAMO CC(C)c1[nH+]ccn1CCCNC(=O)[C@@H]1CCC(=O)N(CCN2CCOCC2)C1 ZINC000011663274 558267014 /nfs/dbraw/zinc/26/70/14/558267014.db2.gz JXGCQEJVASZUMB-GOSISDBHSA-N 1 1 405.543 1.084 50 0 HDAAMO O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NCCC[NH+]1CCOCC1 ZINC000019791078 558282525 /nfs/dbraw/zinc/28/25/25/558282525.db2.gz RPRXIHWYDMAWII-UHFFFAOYSA-N 1 1 422.576 1.794 50 0 HDAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000012048069 558313321 /nfs/dbraw/zinc/31/33/21/558313321.db2.gz DTIBCVSJIPGATC-SFHVURJKSA-N 1 1 407.540 1.591 50 0 HDAAMO COc1ccccc1OCC(=O)N1CCC[C@H](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000020455359 558369235 /nfs/dbraw/zinc/36/92/35/558369235.db2.gz TWUAFVREKJILJN-GOSISDBHSA-N 1 1 403.523 1.867 50 0 HDAAMO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)CN2CCC(C(N)=O)CC2)C1 ZINC000012314028 558377508 /nfs/dbraw/zinc/37/75/08/558377508.db2.gz DCAQWVJGDXHGNS-FQEVSTJZSA-N 1 1 414.594 1.905 50 0 HDAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)CN2CCC(C(N)=O)CC2)C1 ZINC000012314028 558377510 /nfs/dbraw/zinc/37/75/10/558377510.db2.gz DCAQWVJGDXHGNS-FQEVSTJZSA-N 1 1 414.594 1.905 50 0 HDAAMO O=C(CCNC(=O)[C@@H]1COc2ccccc2O1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020744812 558409494 /nfs/dbraw/zinc/40/94/94/558409494.db2.gz SDAIGAFGQJHYAV-NRFANRHFSA-N 1 1 409.486 1.677 50 0 HDAAMO CN(Cc1ccc2nonc2c1)C(=O)[C@@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000020776608 558412161 /nfs/dbraw/zinc/41/21/61/558412161.db2.gz MEFJNAUCIYNKKA-QGZVFWFLSA-N 1 1 415.494 1.142 50 0 HDAAMO COc1cc(C[NH2+]CCCn2ccnc2)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000012447346 558414804 /nfs/dbraw/zinc/41/48/04/558414804.db2.gz FYEGWLCIVIPVAK-IBGZPJMESA-N 1 1 420.579 1.860 50 0 HDAAMO O=C([C@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1)N1CCN(c2ccccc2)CC1 ZINC000020995987 558426886 /nfs/dbraw/zinc/42/68/86/558426886.db2.gz WSTHYEQSWNALMI-FQEVSTJZSA-N 1 1 414.550 1.296 50 0 HDAAMO COc1ccccc1N1CCN(C(=O)c2cnc(N3CC[NH+](C)CC3)nc2C)CC1 ZINC000021637914 558444056 /nfs/dbraw/zinc/44/40/56/558444056.db2.gz TVOKGIWDZWEJAE-UHFFFAOYSA-N 1 1 410.522 1.508 50 0 HDAAMO CCN1CCN(C[C@@H](O)COc2cccc(C[NH2+]CCCn3cccn3)c2)CC1 ZINC000022913460 558520548 /nfs/dbraw/zinc/52/05/48/558520548.db2.gz MFYWIXZOYAFCQP-OAQYLSRUSA-N 1 1 401.555 1.440 50 0 HDAAMO COCCN(Cc1cc(=O)[nH]c2ccccc12)C(=S)NCCC[NH+]1CCOCC1 ZINC000013688665 558571204 /nfs/dbraw/zinc/57/12/04/558571204.db2.gz KXZINHYUXOQGQQ-UHFFFAOYSA-N 1 1 418.563 1.573 50 0 HDAAMO O=C(CN1CC[NH+](C[C@@H](O)COc2cccc3ccccc32)CC1)N1CCOCC1 ZINC000025368353 558639133 /nfs/dbraw/zinc/63/91/33/558639133.db2.gz DXCVNNOOQKEMGO-HXUWFJFHSA-N 1 1 413.518 1.056 50 0 HDAAMO NC(=O)C[NH+]1CCC(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)CC1 ZINC000025602423 558645416 /nfs/dbraw/zinc/64/54/16/558645416.db2.gz VWVARIOKGOANMX-UHFFFAOYSA-N 1 1 421.501 1.681 50 0 HDAAMO O=C(NCCO)[C@@H]1C[C@H](CN2CCOCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014741540 558667189 /nfs/dbraw/zinc/66/71/89/558667189.db2.gz AYAHZNGZXUNHBM-NFBKMPQASA-N 1 1 411.546 1.719 50 0 HDAAMO COc1cc(C[NH2+]Cc2cnn(C)c2)ccc1OC[C@H](O)CN1CCSCC1 ZINC000014960159 558683661 /nfs/dbraw/zinc/68/36/61/558683661.db2.gz IBKLHRFDDRNLBG-GOSISDBHSA-N 1 1 406.552 1.507 50 0 HDAAMO CCOC(=O)N1CCN(C(=O)C[C@@H]2C(=O)NCC[N@H+]2CCCc2ccccc2)CC1 ZINC000014969607 558686909 /nfs/dbraw/zinc/68/69/09/558686909.db2.gz JKXLYJBLRZMBLN-LJQANCHMSA-N 1 1 416.522 1.110 50 0 HDAAMO CCOC(=O)N1CCN(C(=O)C[C@@H]2C(=O)NCC[N@@H+]2CCCc2ccccc2)CC1 ZINC000014969607 558686912 /nfs/dbraw/zinc/68/69/12/558686912.db2.gz JKXLYJBLRZMBLN-LJQANCHMSA-N 1 1 416.522 1.110 50 0 HDAAMO CC[NH+]1CCN(C(=O)CCC2CCN(C(=O)CCC3=NNC(=O)CC3)CC2)CC1 ZINC000015074901 558715259 /nfs/dbraw/zinc/71/52/59/558715259.db2.gz LSTZJGSMVFIFCD-UHFFFAOYSA-N 1 1 405.543 1.216 50 0 HDAAMO COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc(C)[nH+]3)CC2)cc1 ZINC000015671247 558748186 /nfs/dbraw/zinc/74/81/86/558748186.db2.gz AUYKDMIVLNTYAZ-UHFFFAOYSA-N 1 1 417.535 1.905 50 0 HDAAMO CCOc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)nc(C)[nH+]3)CC2)cc1 ZINC000015671224 558748310 /nfs/dbraw/zinc/74/83/10/558748310.db2.gz SUQTXXOHBBAYPC-UHFFFAOYSA-N 1 1 405.524 1.761 50 0 HDAAMO CN(C(=O)C[N@@H+]1CCc2ccccc2C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000034878713 558786556 /nfs/dbraw/zinc/78/65/56/558786556.db2.gz MXSDMPYFYHIJHM-UHFFFAOYSA-N 1 1 419.485 1.188 50 0 HDAAMO CN(C(=O)C[N@H+]1CCc2ccccc2C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000034878713 558786560 /nfs/dbraw/zinc/78/65/60/558786560.db2.gz MXSDMPYFYHIJHM-UHFFFAOYSA-N 1 1 419.485 1.188 50 0 HDAAMO C[C@@](O)(CNC(=O)CCCc1nc(-c2ccc(F)cc2)no1)C[NH+]1CCOCC1 ZINC000072311733 558792051 /nfs/dbraw/zinc/79/20/51/558792051.db2.gz RGWJGIOHMVCLIX-HXUWFJFHSA-N 1 1 406.458 1.398 50 0 HDAAMO C[C@]1(c2ccc(C(=O)N3CC[NH+](CCc4ccccc4)CC3)cc2)NC(=O)NC1=O ZINC000072311833 558795787 /nfs/dbraw/zinc/79/57/87/558795787.db2.gz TUSXBUSIYKGELM-HSZRJFAPSA-N 1 1 406.486 1.742 50 0 HDAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCN(C3=NC[C@@H](C)S3)CC2)CC1 ZINC000072312022 558798884 /nfs/dbraw/zinc/79/88/84/558798884.db2.gz OYEOSVYLUQTJGM-LJQANCHMSA-N 1 1 415.607 1.748 50 0 HDAAMO O=C([C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000032987880 558807776 /nfs/dbraw/zinc/80/77/76/558807776.db2.gz MAUZSNXUULSGGH-WMZOPIPTSA-N 1 1 415.490 1.134 50 0 HDAAMO COc1cccc(C[N@@H+](C)CCc2cnn(C)c2)c1OC[C@H](O)CN1CCOCC1 ZINC000039478304 558821705 /nfs/dbraw/zinc/82/17/05/558821705.db2.gz QTFZPCJCPQNWGG-HXUWFJFHSA-N 1 1 418.538 1.175 50 0 HDAAMO O=C(CSc1nnc(C(=O)Nc2ccccc2)s1)NCCC[NH+]1CCOCC1 ZINC000033011964 558831602 /nfs/dbraw/zinc/83/16/02/558831602.db2.gz OXICQZQCCUIWGE-UHFFFAOYSA-N 1 1 421.548 1.721 50 0 HDAAMO O=C(c1cccs1)N(CCc1ccccc1)CCS(=O)(=O)N1CC[NH2+]CC1 ZINC000046140864 558839679 /nfs/dbraw/zinc/83/96/79/558839679.db2.gz OSZHVYORXAJXOU-UHFFFAOYSA-N 1 1 407.561 1.668 50 0 HDAAMO Cc1nc(CCNC(=O)[C@H]2CCC(=O)N(CCC[NH+]3CCOCC3)C2)sc1C ZINC000019334347 558869460 /nfs/dbraw/zinc/86/94/60/558869460.db2.gz NRCMXTKAAJPFIF-KRWDZBQOSA-N 1 1 408.568 1.380 50 0 HDAAMO Cn1cnnc1SCC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000055132013 558873557 /nfs/dbraw/zinc/87/35/57/558873557.db2.gz JIIGIJJTBLBPMO-GOSISDBHSA-N 1 1 400.552 1.720 50 0 HDAAMO CCCc1nc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCN(C)CC4)C3)CC2)no1 ZINC000071416215 558897638 /nfs/dbraw/zinc/89/76/38/558897638.db2.gz UWKHSTYNZPOMQH-KRWDZBQOSA-N 1 1 404.559 1.477 50 0 HDAAMO Cn1cc(NC(=O)CN2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cn1 ZINC000071439698 558899613 /nfs/dbraw/zinc/89/96/13/558899613.db2.gz POEYESKBEYBVED-QGZVFWFLSA-N 1 1 402.543 1.157 50 0 HDAAMO CN(C)c1ccnc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1 ZINC000071749275 558908734 /nfs/dbraw/zinc/90/87/34/558908734.db2.gz AGBQKOGVVDTVNY-KRWDZBQOSA-N 1 1 402.543 1.082 50 0 HDAAMO Cc1cc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCN(C)CC4)C3)CC2)no1 ZINC000071754399 558909385 /nfs/dbraw/zinc/90/93/85/558909385.db2.gz MZKBXLBGPQLOCJ-QGZVFWFLSA-N 1 1 403.527 1.074 50 0 HDAAMO CCc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)nc(C)n1 ZINC000071759474 558909764 /nfs/dbraw/zinc/90/97/64/558909764.db2.gz ZHUDPIOHDJOZHJ-SFHVURJKSA-N 1 1 401.555 1.887 50 0 HDAAMO Cn1cccc1C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071765440 558910561 /nfs/dbraw/zinc/91/05/61/558910561.db2.gz PDMCPJRIZSJMIX-GOSISDBHSA-N 1 1 401.555 1.116 50 0 HDAAMO Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCC[NH+]3CCOCC3)CC2)cc1 ZINC000033254543 558918368 /nfs/dbraw/zinc/91/83/68/558918368.db2.gz AJPZQVGVYTWGQL-UHFFFAOYSA-N 1 1 423.579 1.624 50 0 HDAAMO COc1cccc(NC(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)ncn3)CC2)c1 ZINC000072119211 558927977 /nfs/dbraw/zinc/92/79/77/558927977.db2.gz YJJGOGSLRALJMI-UHFFFAOYSA-N 1 1 411.510 1.591 50 0 HDAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CCc1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000033062708 558956216 /nfs/dbraw/zinc/95/62/16/558956216.db2.gz HYFASSUZEOEYEW-INIZCTEOSA-N 1 1 420.535 1.967 50 0 HDAAMO COc1cccc(C(=O)N2CCN(c3cc(-n4ccnc4)nc(C)[nH+]3)CC2)c1OC ZINC000067603538 558988069 /nfs/dbraw/zinc/98/80/69/558988069.db2.gz OGHYSPNECUPWKJ-UHFFFAOYSA-N 1 1 408.462 1.950 50 0 HDAAMO COc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cc[nH+]c4C)ncn3)CC2)cc1 ZINC000067602205 558988104 /nfs/dbraw/zinc/98/81/04/558988104.db2.gz KJQJFHGNUOHQFJ-UHFFFAOYSA-N 1 1 414.491 1.490 50 0 HDAAMO CC(C)(C)OC(=O)NC1CCC([NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 ZINC000097032811 558988152 /nfs/dbraw/zinc/98/81/52/558988152.db2.gz YEPQFSLMVCUHTM-UHFFFAOYSA-N 1 1 408.543 1.589 50 0 HDAAMO Cc1ccc(F)cc1S(=O)(=O)NCCNc1cc(N2CCOCC2)[nH+]c(C)n1 ZINC000067604039 558988408 /nfs/dbraw/zinc/98/84/08/558988408.db2.gz KOZMKZPJLREXTH-UHFFFAOYSA-N 1 1 409.487 1.460 50 0 HDAAMO COc1cccc(S(=O)(=O)NCCNc2cc(N3CCOCC3)[nH+]c(C)n2)c1 ZINC000067613985 558989416 /nfs/dbraw/zinc/98/94/16/558989416.db2.gz NFOJGCNRPDNRHS-UHFFFAOYSA-N 1 1 407.496 1.021 50 0 HDAAMO CCCCNC(=O)CN1CC[NH+](C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000096794826 558990926 /nfs/dbraw/zinc/99/09/26/558990926.db2.gz YVTDVXMSQYQOPS-UNMCSNQZSA-N 1 1 403.567 1.975 50 0 HDAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000097165417 558998548 /nfs/dbraw/zinc/99/85/48/558998548.db2.gz GSRSOCLLZSJXHO-LLVKDONJSA-N 1 1 405.314 1.983 50 0 HDAAMO Cc1ccc(N(CC(=O)NCCC[N@@H+]2CCCC[C@H]2C)S(=O)(=O)N(C)C)cc1 ZINC000033269467 559032245 /nfs/dbraw/zinc/03/22/45/559032245.db2.gz LRQNLUYTHKZETB-GOSISDBHSA-N 1 1 410.584 1.989 50 0 HDAAMO O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3cccnn3)CC2)C1 ZINC000082137056 559040225 /nfs/dbraw/zinc/04/02/25/559040225.db2.gz ZQGLAZOMAJHZLU-KRWDZBQOSA-N 1 1 408.506 1.505 50 0 HDAAMO Cc1cc(C)n2ncc(C[N@H+]3CC[C@H](N4CCOCC4)[C@H](CCC(=O)[O-])C3)c2n1 ZINC000091974005 559074854 /nfs/dbraw/zinc/07/48/54/559074854.db2.gz IFPYYXTYDHHBGQ-MJGOQNOKSA-N 1 1 401.511 1.734 50 0 HDAAMO Cc1cc(C)n2ncc(CN3CC[C@H]([NH+]4CCOCC4)[C@H](CCC(=O)[O-])C3)c2n1 ZINC000091974005 559074856 /nfs/dbraw/zinc/07/48/56/559074856.db2.gz IFPYYXTYDHHBGQ-MJGOQNOKSA-N 1 1 401.511 1.734 50 0 HDAAMO COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C[C@@H]1CCCC[N@H+]1C)CC2 ZINC000095512547 559084240 /nfs/dbraw/zinc/08/42/40/559084240.db2.gz MRKUPQZYVZDUFN-INIZCTEOSA-N 1 1 403.527 1.133 50 0 HDAAMO COCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)C[C@@H]1CCCC[N@@H+]1C)CC2 ZINC000095512547 559084241 /nfs/dbraw/zinc/08/42/41/559084241.db2.gz MRKUPQZYVZDUFN-INIZCTEOSA-N 1 1 403.527 1.133 50 0 HDAAMO COCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)C[C@@H]1CCCC[N@H+]1C)CC2 ZINC000095512547 559084242 /nfs/dbraw/zinc/08/42/42/559084242.db2.gz MRKUPQZYVZDUFN-INIZCTEOSA-N 1 1 403.527 1.133 50 0 HDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2cc(C)[nH]c(=O)c2)CC1 ZINC000095519610 559084911 /nfs/dbraw/zinc/08/49/11/559084911.db2.gz CFBCJJBCAJQZDF-IBGZPJMESA-N 1 1 402.539 1.916 50 0 HDAAMO CCN1CC[NH+](C[C@@H](O)COc2cccc(CN(C)Cc3nc(C)no3)c2)CC1 ZINC000095528162 559086362 /nfs/dbraw/zinc/08/63/62/559086362.db2.gz AZWBCLSVCLMKQI-LJQANCHMSA-N 1 1 403.527 1.387 50 0 HDAAMO CCCC[N@@H+](CC)CCNC(=O)CCNC(=O)Cn1ccc2ccccc2c1=O ZINC000004876194 559195342 /nfs/dbraw/zinc/19/53/42/559195342.db2.gz XPCRNHHOYGPIJK-UHFFFAOYSA-N 1 1 400.523 1.746 50 0 HDAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)C[C@H]1NC(=O)N(Cc2ccco2)C1=O ZINC000409413878 559250844 /nfs/dbraw/zinc/25/08/44/559250844.db2.gz FUCAKXSWTSBMKR-JQHSSLGASA-N 1 1 402.495 1.813 50 0 HDAAMO NC(=O)CCN(C(=O)C[NH+]1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1 ZINC000011101796 560771443 /nfs/dbraw/zinc/77/14/43/560771443.db2.gz MTHKWHMTZCDPBP-UHFFFAOYSA-N 1 1 408.502 1.789 50 0 HDAAMO CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)[NH+](C)C)cc1 ZINC000012196696 560891658 /nfs/dbraw/zinc/89/16/58/560891658.db2.gz CWUZMUZCFFZIIT-QGZVFWFLSA-N 1 1 405.476 1.955 50 0 HDAAMO O=C(Cn1cc(Br)ccc1=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000047529019 560891883 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CC(C)NC(=O)C[NH+]1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299801143 568876625 /nfs/dbraw/zinc/87/66/25/568876625.db2.gz WPFHLKUJQJOSIE-LJQANCHMSA-N 1 1 407.486 1.421 50 0 HDAAMO COc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)nc(C)[nH+]3)CC2)cc1OC ZINC000015671226 568961653 /nfs/dbraw/zinc/96/16/53/568961653.db2.gz UBJPDTCWBYOAGE-UHFFFAOYSA-N 1 1 421.523 1.379 50 0 HDAAMO CC[N@@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000015862689 569015974 /nfs/dbraw/zinc/01/59/74/569015974.db2.gz MXPOOYKTZNKVKM-IBGZPJMESA-N 1 1 422.595 1.292 50 0 HDAAMO CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000015862689 569015975 /nfs/dbraw/zinc/01/59/75/569015975.db2.gz MXPOOYKTZNKVKM-IBGZPJMESA-N 1 1 422.595 1.292 50 0 HDAAMO CC[N@@H+]1CCC[C@@H]1CN(CC(=O)N1CCNCC1)C(=O)c1cccc(NC(C)=O)c1 ZINC000015864140 569016332 /nfs/dbraw/zinc/01/63/32/569016332.db2.gz QSCLQECXDRSLLH-HXUWFJFHSA-N 1 1 415.538 1.003 50 0 HDAAMO CC[N@H+]1CCC[C@@H]1CN(CC(=O)N1CCNCC1)C(=O)c1cccc(NC(C)=O)c1 ZINC000015864140 569016333 /nfs/dbraw/zinc/01/63/33/569016333.db2.gz QSCLQECXDRSLLH-HXUWFJFHSA-N 1 1 415.538 1.003 50 0 HDAAMO C[C@H](O)[C@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015959691 569024785 /nfs/dbraw/zinc/02/47/85/569024785.db2.gz YANRSASOKFLTAR-SSERFMASSA-N 1 1 405.454 1.031 50 0 biogenic HDAAMO Cn1cc(C2=CC[N@H+](CC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cn1 ZINC000035403453 569035533 /nfs/dbraw/zinc/03/55/33/569035533.db2.gz IQKJVNZXQWKXFQ-UHFFFAOYSA-N 1 1 423.517 1.582 50 0 HDAAMO Cn1cc(C2=CC[N@@H+](CC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cn1 ZINC000035403453 569035534 /nfs/dbraw/zinc/03/55/34/569035534.db2.gz IQKJVNZXQWKXFQ-UHFFFAOYSA-N 1 1 423.517 1.582 50 0 HDAAMO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2cnccn2)C1 ZINC000229821948 569040677 /nfs/dbraw/zinc/04/06/77/569040677.db2.gz CJVKEPXUFHSYSN-JKSUJKDBSA-N 1 1 422.489 1.891 50 0 HDAAMO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2cnccn2)C1 ZINC000229821948 569040678 /nfs/dbraw/zinc/04/06/78/569040678.db2.gz CJVKEPXUFHSYSN-JKSUJKDBSA-N 1 1 422.489 1.891 50 0 HDAAMO Cn1c2nc(N3CC[NH+](C)CC3)n(Cc3ccc(Cl)c(Cl)c3)c2c(=O)[nH]c1=O ZINC000006444827 569052885 /nfs/dbraw/zinc/05/28/85/569052885.db2.gz NPJHDXNQHLCSHI-UHFFFAOYSA-N 1 1 423.304 1.530 50 0 HDAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1nc(-c2ccncn2)no1 ZINC000064459830 569063050 /nfs/dbraw/zinc/06/30/50/569063050.db2.gz KDXFDAAPRCPQFK-UHFFFAOYSA-N 1 1 411.441 1.608 50 0 HDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C1CCN(c2nnc(N3CCCC3=O)s2)CC1 ZINC000006798642 569126533 /nfs/dbraw/zinc/12/65/33/569126533.db2.gz AFPGVYRIAKOOLS-HNNXBMFYSA-N 1 1 406.556 1.482 50 0 HDAAMO COCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)COC ZINC000036312096 569132674 /nfs/dbraw/zinc/13/26/74/569132674.db2.gz RBEIZESRNKUPLZ-UHFFFAOYSA-N 1 1 420.485 1.854 50 0 HDAAMO CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1 ZINC000006810079 569134844 /nfs/dbraw/zinc/13/48/44/569134844.db2.gz ZDJPLNKLFSDOMU-UHFFFAOYSA-N 1 1 423.535 1.358 50 0 HDAAMO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F)c1ccco1 ZINC000006859692 569157407 /nfs/dbraw/zinc/15/74/07/569157407.db2.gz YKIQIAFUUFKNJX-JKSUJKDBSA-N 1 1 409.483 1.991 50 0 HDAAMO CN1CCN(CCNC(=O)c2cccc(N3CC[NH2+][C@@H](c4ccccc4)C3)n2)CC1 ZINC000065256360 569208378 /nfs/dbraw/zinc/20/83/78/569208378.db2.gz WCSDFYPXZWGBNT-OAQYLSRUSA-N 1 1 408.550 1.210 50 0 HDAAMO CCN1CCN(c2cc(C)nc3nc(CN4CC[NH+](CC(C)C)CC4)nn32)CC1 ZINC000065311658 569221046 /nfs/dbraw/zinc/22/10/46/569221046.db2.gz ZEPKTYXIBKKUFC-UHFFFAOYSA-N 1 1 400.575 1.348 50 0 HDAAMO C[C@H](C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)n1nnc(-c2ccccc2)n1 ZINC000170601432 569243196 /nfs/dbraw/zinc/24/31/96/569243196.db2.gz MQMPZNSQYGDVHE-WZONZLPQSA-N 1 1 420.517 1.997 50 0 HDAAMO Cc1ccc(CNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(-n2cncn2)n1 ZINC000170607809 569244695 /nfs/dbraw/zinc/24/46/95/569244695.db2.gz OCKNOHYQPBPTDC-HXUWFJFHSA-N 1 1 406.490 1.878 50 0 HDAAMO Cc1ccc(CNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(-n2cncn2)n1 ZINC000170607809 569244697 /nfs/dbraw/zinc/24/46/97/569244697.db2.gz OCKNOHYQPBPTDC-HXUWFJFHSA-N 1 1 406.490 1.878 50 0 HDAAMO O=C(CNC(=O)NCc1ccco1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000089834879 569266768 /nfs/dbraw/zinc/26/67/68/569266768.db2.gz FYBKNGSXCOCAOE-IEBWSBKVSA-N 1 1 400.479 1.078 50 0 HDAAMO CCS(=O)(=O)c1ccc(N2CCC(NC(=O)c3csc(C[NH3+])n3)CC2)cc1 ZINC000170678040 569298058 /nfs/dbraw/zinc/29/80/58/569298058.db2.gz AKYPCUOVMFQJIH-UHFFFAOYSA-N 1 1 408.549 1.794 50 0 HDAAMO COc1ccc(OCC[N@H+](C)CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1 ZINC000012992579 569406157 /nfs/dbraw/zinc/40/61/57/569406157.db2.gz BJAQKYZEDFGDMK-UHFFFAOYSA-N 1 1 421.519 1.909 50 0 HDAAMO COc1ccc(OCC[N@@H+](C)CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1 ZINC000012992579 569406158 /nfs/dbraw/zinc/40/61/58/569406158.db2.gz BJAQKYZEDFGDMK-UHFFFAOYSA-N 1 1 421.519 1.909 50 0 HDAAMO CCOc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]C2CCCCC2)cc1 ZINC000013372010 569413091 /nfs/dbraw/zinc/41/30/91/569413091.db2.gz GZOWKOGDDYIVIH-ROUUACIJSA-N 1 1 401.550 1.947 50 0 HDAAMO CCN1CC[NH+](CCCNC(=O)CN2C(=O)COc3ccc(C(C)(C)C)cc32)CC1 ZINC000019361368 569420422 /nfs/dbraw/zinc/42/04/22/569420422.db2.gz TUZMATDTODALQN-UHFFFAOYSA-N 1 1 416.566 1.853 50 0 HDAAMO CCOC(=O)c1c(C)n(CC)c(C)c1/C=C/C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000078963996 569422153 /nfs/dbraw/zinc/42/21/53/569422153.db2.gz BUPPLFGWRYWFBY-UVIRAJKCSA-N 1 1 421.538 1.514 50 0 HDAAMO C[C@@H](C(=O)Nc1ccc(I)cc1)[NH+]1CCC(NC(N)=O)CC1 ZINC000078970356 569422494 /nfs/dbraw/zinc/42/24/94/569422494.db2.gz GEXQPRUDCNPERW-JTQLQIEISA-N 1 1 416.263 1.751 50 0 HDAAMO CCOCCN1[NH+]=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2ccccc2)c(=O)n1C ZINC000008706224 571103526 /nfs/dbraw/zinc/10/35/26/571103526.db2.gz QSTMUOHIGBNULI-OAHLLOKOSA-N 1 1 410.478 1.738 50 0 HDAAMO O=C(C[NH+]1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O)NCCc1ccccc1 ZINC000008769279 571116532 /nfs/dbraw/zinc/11/65/32/571116532.db2.gz XFXOUJIZULKUAL-UHFFFAOYSA-N 1 1 420.513 1.932 50 0 HDAAMO O=C(C[NH+]1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NC1CCCC1 ZINC000008769299 571116594 /nfs/dbraw/zinc/11/65/94/571116594.db2.gz LYUMTHYIDUEUHR-UHFFFAOYSA-N 1 1 402.470 1.771 50 0 HDAAMO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1)Nc1cc(N2CCCC2=O)ccc1F ZINC000069460003 571228251 /nfs/dbraw/zinc/22/82/51/571228251.db2.gz RNENPDUQKAZBCO-BEFAXECRSA-N 1 1 420.485 1.811 50 0 HDAAMO COCC[N@H+]1CCc2c(cccc2-n2nnc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c2C)C1 ZINC000069815224 571245550 /nfs/dbraw/zinc/24/55/50/571245550.db2.gz QNDALPRURNGTNL-HZPDHXFCSA-N 1 1 413.522 1.830 50 0 HDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cn1ncn2nc(-c3ccc(OC)cc3)cc2c1=O ZINC000009727369 571282598 /nfs/dbraw/zinc/28/25/98/571282598.db2.gz UPGGNSMMMWOYFM-INIZCTEOSA-N 1 1 410.478 1.167 50 0 HDAAMO CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CC[NH+](C)CC4)C3)ccc21 ZINC000021937808 571315141 /nfs/dbraw/zinc/31/51/41/571315141.db2.gz HPXDRGQURDONHT-GOSISDBHSA-N 1 1 418.563 1.836 50 0 HDAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(C(=O)CCn3cncn3)C2)cc1OC ZINC000012385866 1073543392 /nfs/dbraw/zinc/54/33/92/1073543392.db2.gz QHOJSDBOFSYERT-SFHVURJKSA-N 1 1 401.511 1.851 50 0 HDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1nc(Cn2nc(-c3ccccc3)ccc2=O)no1 ZINC000040455197 521657780 /nfs/dbraw/zinc/65/77/80/521657780.db2.gz RMSJNADOPYVDHI-INIZCTEOSA-N 1 1 408.462 1.556 50 0 HDAAMO C[C@@H](C(=O)NCCC[NH+]1CCOCC1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944794 524182515 /nfs/dbraw/zinc/18/25/15/524182515.db2.gz IEKWTMXVKWULMM-ZDUSSCGKSA-N 1 1 412.412 1.815 50 0 HDAAMO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)c1cccc2ccccc21 ZINC000020567921 525150558 /nfs/dbraw/zinc/15/05/58/525150558.db2.gz WAUGGUZXDOAJQZ-UHFFFAOYSA-N 1 1 405.520 1.444 50 0 HDAAMO O=C(CCN(CCC[NH+]1CCCCC1)C(=O)c1cccc(F)c1)N1CCNCC1 ZINC000045966905 526474722 /nfs/dbraw/zinc/47/47/22/526474722.db2.gz QQSUIXOBGYCLDY-UHFFFAOYSA-N 1 1 404.530 1.966 50 0 HDAAMO Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CC[C@@H](N2CC[NH+](C)CC2)[C@H](O)C1 ZINC000020535810 527540176 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404.442 1.194 50 0 HDAAMO CC[NH+](CC)CCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1cc(C)ccc1C ZINC000045944176 520643942 /nfs/dbraw/zinc/64/39/42/520643942.db2.gz PBNKDVKAMQJYEF-UHFFFAOYSA-N 1 1 424.611 1.458 50 0 HDAAMO COCc1nnc(NC(=O)CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000044890600 523252493 /nfs/dbraw/zinc/25/24/93/523252493.db2.gz TYXOWBOQCGVPTD-UHFFFAOYSA-N 1 1 404.496 1.150 50 0 HDAAMO CN(Cc1nc2ccccc2o1)C(=O)[C@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000020540169 523564640 /nfs/dbraw/zinc/56/46/40/523564640.db2.gz DJXJVWLCBDXNKS-KRWDZBQOSA-N 1 1 414.506 1.747 50 0 HDAAMO CCc1ccc(S(=O)(=O)N(CCC[NH+]2CCCC2)CC(=O)N2CCNCC2)cc1 ZINC000045974735 524010569 /nfs/dbraw/zinc/01/05/69/524010569.db2.gz VLFRFGQBZUHXMI-UHFFFAOYSA-N 1 1 422.595 1.157 50 0 HDAAMO C[C@@H]1CCCC[N@@H+]1CCN(CCC(=O)N1CCNCC1)C(=O)c1cccc(F)c1 ZINC000045966913 524106380 /nfs/dbraw/zinc/10/63/80/524106380.db2.gz PTEQJJBOAFDMDM-GOSISDBHSA-N 1 1 404.530 1.964 50 0 HDAAMO C[C@@H]1CCCC[N@H+]1CCN(CCC(=O)N1CCNCC1)C(=O)c1cccc(F)c1 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C[N@@H+](Cc1cc[nH]n1)C1CCN(c2ccc(C(=O)N[C@H]3CCCCNC3=O)cc2)CC1 ZINC000012241601 132357614 /nfs/dbraw/zinc/35/76/14/132357614.db2.gz WNGFQBVRFWJTML-NRFANRHFSA-N 1 1 424.549 1.909 50 0 HDAAMO CCOC(=O)C1C(C[NH+]2CCC(C(N)=O)CC2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020560214 520511033 /nfs/dbraw/zinc/51/10/33/520511033.db2.gz GRAHZXLOQSFVFU-SFHVURJKSA-N 1 1 400.479 1.363 50 0 HDAAMO CCOC(=O)C1=C(C[NH+]2CCC(C(N)=O)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000020557849 520511858 /nfs/dbraw/zinc/51/18/58/520511858.db2.gz FLXISRGCDDALAV-KRWDZBQOSA-N 1 1 404.442 1.194 50 0 HDAAMO CC[NH+](CC)[C@@H](CNC(=O)CNC1=NS(=O)(=O)c2ccccc21)c1ccccc1 ZINC000036718728 520831191 /nfs/dbraw/zinc/83/11/91/520831191.db2.gz VTZGHESYNVQSTM-SFHVURJKSA-N 1 1 414.531 1.924 50 0 HDAAMO CCN1CCC[C@@H]1CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cc(C)ccc1C ZINC000045974500 521633286 /nfs/dbraw/zinc/63/32/86/521633286.db2.gz DZHSXBUURHGDIE-LJQANCHMSA-N 1 1 422.595 1.210 50 0 HDAAMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1c2c(c(OC)c3c1CCN(C)C3)OCO2 ZINC000040312987 521658308 /nfs/dbraw/zinc/65/83/08/521658308.db2.gz QPGBTMLNSCHNPS-ZDUSSCGKSA-N 1 1 411.524 1.174 50 0 biogenic HDAAMO CC[NH+]1CCN(C(=O)[C@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)CC1 ZINC000020568042 521668322 /nfs/dbraw/zinc/66/83/22/521668322.db2.gz CYKOGOXYBARSPN-ZDUSSCGKSA-N 1 1 403.932 1.667 50 0 HDAAMO Cn1ccnc1C(=O)c1cccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000044901495 522009044 /nfs/dbraw/zinc/00/90/44/522009044.db2.gz NXQHUFPIQPSYIW-INIZCTEOSA-N 1 1 409.446 1.602 50 0 HDAAMO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000032759008 522293465 /nfs/dbraw/zinc/29/34/65/522293465.db2.gz YIQIELDBNDJODX-KRWDZBQOSA-N 1 1 415.512 1.315 50 0 HDAAMO COCc1nn2c(ncc3c2ccn(N2CC[NH+](C)CC2)c3=O)c1-c1ccccc1 ZINC000040396438 523247780 /nfs/dbraw/zinc/24/77/80/523247780.db2.gz MPHWKVLCKYZYKU-UHFFFAOYSA-N 1 1 404.474 1.741 50 0 HDAAMO COc1ccc(CN(CCC[NH+]2CCOCC2)C(=O)N2CCOCC2)cc1OC ZINC000020573570 524012076 /nfs/dbraw/zinc/01/20/76/524012076.db2.gz MCOLLIJQUVZFNE-UHFFFAOYSA-N 1 1 407.511 1.680 50 0 HDAAMO COc1ccc(OC)c(CN(CCC[NH+]2CCOCC2)C(=O)N2CCOCC2)c1 ZINC000020573610 524823192 /nfs/dbraw/zinc/82/31/92/524823192.db2.gz OFRBYIVQCJFBEN-UHFFFAOYSA-N 1 1 407.511 1.680 50 0 HDAAMO C[C@H](C(=O)NCCC[NH+]1CCOCC1)N1c2cccc3cccc(c23)S1(=O)=O ZINC000020567929 526046034 /nfs/dbraw/zinc/04/60/34/526046034.db2.gz MMPKOMHEDIIADC-OAHLLOKOSA-N 1 1 403.504 1.576 50 0 HDAAMO Cc1ccc(C(=O)N2CCC(CC(=O)NCCC[NH+]3CCN(C)CC3)CC2)cc1 ZINC000032974192 526082284 /nfs/dbraw/zinc/08/22/84/526082284.db2.gz BEUNAACFWKEYKQ-UHFFFAOYSA-N 1 1 400.567 1.991 50 0 HDAAMO O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CC[N@H+](Cc1cccnc1)CC2 ZINC000020600998 527231562 /nfs/dbraw/zinc/23/15/62/527231562.db2.gz RPIPNDHEJUJJGV-UHFFFAOYSA-N 1 1 408.481 1.772 50 0 HDAAMO COc1ccc(S(=O)(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1OC ZINC000001431417 557262296 /nfs/dbraw/zinc/26/22/96/557262296.db2.gz WHJQATDIYHOZOW-UHFFFAOYSA-N 1 1 411.524 1.198 50 0 HDAAMO CC(C)OC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3ccccc3)co2)CC1 ZINC000034677067 557364121 /nfs/dbraw/zinc/36/41/21/557364121.db2.gz RHQWJTWBRGHSMK-IBGZPJMESA-N 1 1 416.522 1.508 50 0 HDAAMO C[NH+]1CCN(C(=O)CC[C@@H]2CCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)CC1 ZINC000019720834 558259070 /nfs/dbraw/zinc/25/90/70/558259070.db2.gz QPCMTADCIUMRLG-KRWDZBQOSA-N 1 1 401.507 1.751 50 0 HDAAMO COc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)c4ccncc4)n3CC2)cc1OC ZINC000019745154 558265716 /nfs/dbraw/zinc/26/57/16/558265716.db2.gz OCXGRUTVVZMFGP-UHFFFAOYSA-N 1 1 422.489 1.679 50 0 HDAAMO COCCCNc1nc2nonc2nc1N1CCCC[C@@H]1CC[NH+]1CCOCC1 ZINC000019794819 558284004 /nfs/dbraw/zinc/28/40/04/558284004.db2.gz KAGYCLFJBSIWET-OAHLLOKOSA-N 1 1 405.503 1.542 50 0 HDAAMO O=C(CN1CC[NH+](CCOCCO)CC1)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000019831543 558291729 /nfs/dbraw/zinc/29/17/29/558291729.db2.gz LIMXMCDYKYZINS-UHFFFAOYSA-N 1 1 407.845 1.420 50 0 HDAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(C(=O)CN3CCCC3=O)C2)cc1OC ZINC000011878449 558292750 /nfs/dbraw/zinc/29/27/50/558292750.db2.gz WESKFXJXCWZGBR-SFHVURJKSA-N 1 1 403.523 1.792 50 0 HDAAMO Cc1cc(C(F)(F)F)nc(CCNC(=O)C[C@@H]2C(=O)NCC[N@H+]2C2CCCC2)n1 ZINC000011947744 558302515 /nfs/dbraw/zinc/30/25/15/558302515.db2.gz JJLIIDLDIDSEJP-CQSZACIVSA-N 1 1 413.444 1.596 50 0 HDAAMO CCOC(=O)c1nnn(Cc2ccccc2Cl)c1NC(=O)CN1CC[NH+](C)CC1 ZINC000019897446 558303937 /nfs/dbraw/zinc/30/39/37/558303937.db2.gz WUPVCLMIFXTGBW-UHFFFAOYSA-N 1 1 420.901 1.342 50 0 HDAAMO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)cc1Cl ZINC000019900211 558305057 /nfs/dbraw/zinc/30/50/57/558305057.db2.gz LIGQDQQUJSEIQD-CQSZACIVSA-N 1 1 415.943 1.523 50 0 HDAAMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)CC1 ZINC000019928885 558309131 /nfs/dbraw/zinc/30/91/31/558309131.db2.gz VULYKJSSAKBPCN-UHFFFAOYSA-N 1 1 409.552 1.568 50 0 HDAAMO COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@H+](Cc1cc(OC)ccc1OC)CC2 ZINC000012042802 558313274 /nfs/dbraw/zinc/31/32/74/558313274.db2.gz XXCABKZKMQPFAD-HNNXBMFYSA-N 1 1 417.510 1.567 50 0 HDAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000012048072 558313298 /nfs/dbraw/zinc/31/32/98/558313298.db2.gz DTIBCVSJIPGATC-GOSISDBHSA-N 1 1 407.540 1.591 50 0 HDAAMO COc1cc2c(cc1OC)[C@H](C(=O)N1CC[NH+](C)CC1)[C@@H](c1cccnc1)N(C)C2=O ZINC000020113762 558336553 /nfs/dbraw/zinc/33/65/53/558336553.db2.gz FWFMFHMLBZHBQV-LEWJYISDSA-N 1 1 424.501 1.783 50 0 HDAAMO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@H](C)N1CC[NH+](CCO)CC1 ZINC000020129781 558337033 /nfs/dbraw/zinc/33/70/33/558337033.db2.gz MPQVXHQLZIQMPD-LBPRGKRZSA-N 1 1 408.886 1.545 50 0 HDAAMO Cc1[nH+]ccn1CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl ZINC000012303122 558372688 /nfs/dbraw/zinc/37/26/88/558372688.db2.gz LPXHVIRCPLMBSN-QGZVFWFLSA-N 1 1 407.877 1.491 50 0 HDAAMO COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(CN3CCSCC3)c2)CC1 ZINC000012304004 558373291 /nfs/dbraw/zinc/37/32/91/558373291.db2.gz DVRQWYZQGATDCQ-LJQANCHMSA-N 1 1 408.564 1.860 50 0 HDAAMO COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(CN3CCSCC3)c2)CC1 ZINC000012304005 558373401 /nfs/dbraw/zinc/37/34/01/558373401.db2.gz DVRQWYZQGATDCQ-IBGZPJMESA-N 1 1 408.564 1.860 50 0 HDAAMO CN(Cc1ccc2nonc2c1)C(=O)[C@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000020776612 558412136 /nfs/dbraw/zinc/41/21/36/558412136.db2.gz MEFJNAUCIYNKKA-KRWDZBQOSA-N 1 1 415.494 1.142 50 0 HDAAMO COc1ccc(CC[N@@H+](C)[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2O)cc1OC ZINC000012443414 558412992 /nfs/dbraw/zinc/41/29/92/558412992.db2.gz QORMGZKGCMPERE-OALUTQOASA-N 1 1 420.531 1.612 50 0 HDAAMO COc1ccc(F)c(C[N@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c1 ZINC000020995863 558426781 /nfs/dbraw/zinc/42/67/81/558426781.db2.gz DHTTXPMFYLASLM-SFHVURJKSA-N 1 1 417.485 1.322 50 0 HDAAMO COc1ccc(F)c(C[N@@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c1 ZINC000020995863 558426782 /nfs/dbraw/zinc/42/67/82/558426782.db2.gz DHTTXPMFYLASLM-SFHVURJKSA-N 1 1 417.485 1.322 50 0 HDAAMO O=C(NCCc1nnc2n1CC[N@@H+](Cc1cc(F)cc(F)c1)CC2)C1CCOCC1 ZINC000020996652 558427054 /nfs/dbraw/zinc/42/70/54/558427054.db2.gz XAXSPLQLFCRTSN-UHFFFAOYSA-N 1 1 419.476 1.700 50 0 HDAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1cc(F)cc(F)c1)CC2)C1CCOCC1 ZINC000020996652 558427058 /nfs/dbraw/zinc/42/70/58/558427058.db2.gz XAXSPLQLFCRTSN-UHFFFAOYSA-N 1 1 419.476 1.700 50 0 HDAAMO CCn1c(C)c(C(C)=O)c2cc(OC[C@@H](O)CN3CC[NH+](CCO)CC3)ccc21 ZINC000022918302 558522213 /nfs/dbraw/zinc/52/22/13/558522213.db2.gz SGYRNUIACUCJPD-SFHVURJKSA-N 1 1 403.523 1.522 50 0 HDAAMO CC(C)CNC(=O)CN1CC[NH+](CCC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000023467020 558558917 /nfs/dbraw/zinc/55/89/17/558558917.db2.gz JVOWBFYRHMLDOA-UHFFFAOYSA-N 1 1 404.511 1.176 50 0 HDAAMO Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)c1 ZINC000024612445 558604807 /nfs/dbraw/zinc/60/48/07/558604807.db2.gz LRTZAHBYXPGHGA-UHFFFAOYSA-N 1 1 423.579 1.375 50 0 HDAAMO C[C@H](CNC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1)[N@H+]1CCc2ccccc2C1 ZINC000024624409 558605501 /nfs/dbraw/zinc/60/55/01/558605501.db2.gz SWZALRGSXPRCME-IAGOWNOFSA-N 1 1 405.502 1.888 50 0 HDAAMO O=S(=O)(CCn1cnc2ccccc21)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000024706683 558608212 /nfs/dbraw/zinc/60/82/12/558608212.db2.gz NGAHWSPLAJKFHB-UHFFFAOYSA-N 1 1 414.531 1.988 50 0 HDAAMO COc1ccccc1N1CCN(C(=O)NC[C@@H]([C@H]2CCOC2)[NH+]2CCOCC2)CC1 ZINC000026308617 558659045 /nfs/dbraw/zinc/65/90/45/558659045.db2.gz GRZWRTHODSHVRL-ICSRJNTNSA-N 1 1 418.538 1.264 50 0 HDAAMO O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](CN2CCOCC2)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000014743935 558668035 /nfs/dbraw/zinc/66/80/35/558668035.db2.gz HUYKNIOMAKLSMQ-SJBKTWHCSA-N 1 1 417.550 1.458 50 0 HDAAMO O=C(NCc1cccc(NC(=O)C2CC2)c1)NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000027360406 558672540 /nfs/dbraw/zinc/67/25/40/558672540.db2.gz XQGQLUHCKRAVHW-UYAOXDASSA-N 1 1 416.522 1.572 50 0 HDAAMO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000014954875 558681902 /nfs/dbraw/zinc/68/19/02/558681902.db2.gz VLVYLDDJQYYIQF-OAHLLOKOSA-N 1 1 415.494 1.321 50 0 HDAAMO O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015480579 558741038 /nfs/dbraw/zinc/74/10/38/558741038.db2.gz HAQFYCZEAJKCJV-XMMPIXPASA-N 1 1 418.497 1.724 50 0 HDAAMO COc1ccc(C)cc1S(=O)(=O)N1CCN(c2cc(N(C)C)nc(C)[nH+]2)CC1 ZINC000015671236 558748208 /nfs/dbraw/zinc/74/82/08/558748208.db2.gz VSHHFSVISTZQQA-UHFFFAOYSA-N 1 1 405.524 1.679 50 0 HDAAMO CC(C)c1nnc2ccc(N3CCC[C@@H](C(=O)NCCC[NH+]4CCOCC4)C3)nn21 ZINC000031807893 558752488 /nfs/dbraw/zinc/75/24/88/558752488.db2.gz BSYNTRSSKZPBGA-QGZVFWFLSA-N 1 1 415.542 1.303 50 0 HDAAMO CC[NH+]1CCN(C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)CC1 ZINC000031809662 558752706 /nfs/dbraw/zinc/75/27/06/558752706.db2.gz NVEUWQVHPCENRY-UHFFFAOYSA-N 1 1 411.432 1.524 50 0 HDAAMO CCCCN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000015868991 558759727 /nfs/dbraw/zinc/75/97/27/558759727.db2.gz XZTCFNOKOKJTSL-UHFFFAOYSA-N 1 1 423.988 1.366 50 0 HDAAMO Cn1cc([C@H](CNC(=O)C(=O)Nc2ccnc(Oc3ccccc3)c2)[NH+](C)C)cn1 ZINC000072314617 558847690 /nfs/dbraw/zinc/84/76/90/558847690.db2.gz BEGSDAOSUPKEBE-SFHVURJKSA-N 1 1 408.462 1.965 50 0 HDAAMO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CC[NH+](C)CC1 ZINC000019372218 558879502 /nfs/dbraw/zinc/87/95/02/558879502.db2.gz WTBAVWOJTDGKPD-UHFFFAOYSA-N 1 1 409.284 1.903 50 0 HDAAMO COc1ccc([C@@H]([NH2+]CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c2ccccc2)cc1 ZINC000058157229 558903310 /nfs/dbraw/zinc/90/33/10/558903310.db2.gz KQMWVIVBTMDPRH-IBGZPJMESA-N 1 1 408.458 1.237 50 0 HDAAMO CCc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)nc(C)n1 ZINC000071759475 558909907 /nfs/dbraw/zinc/90/99/07/558909907.db2.gz ZHUDPIOHDJOZHJ-GOSISDBHSA-N 1 1 401.555 1.887 50 0 HDAAMO O=C(c1cc2ncccn2n1)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071768022 558910851 /nfs/dbraw/zinc/91/08/51/558910851.db2.gz QWZHTZAPLCMBHM-KRWDZBQOSA-N 1 1 410.522 1.668 50 0 HDAAMO O=C(Cc1ccc(Cl)cc1)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000072119422 558928188 /nfs/dbraw/zinc/92/81/88/558928188.db2.gz YDCPEVITOJJKGM-UHFFFAOYSA-N 1 1 401.898 1.858 50 0 HDAAMO Cc1nc(NCCNS(=O)(=O)c2ccc(F)cc2F)cc(N2CCOCC2)[nH+]1 ZINC000072139986 558929031 /nfs/dbraw/zinc/92/90/31/558929031.db2.gz VKPSUKSOUZKZBS-UHFFFAOYSA-N 1 1 413.450 1.290 50 0 HDAAMO CCc1ccc([C@H](CNS(=O)(=O)c2cccc(-n3cnnn3)c2)[NH+](C)C)cc1 ZINC000060062052 558940799 /nfs/dbraw/zinc/94/07/99/558940799.db2.gz YBSAMAFZQJDHIR-IBGZPJMESA-N 1 1 400.508 1.806 50 0 HDAAMO CCNc1cc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)[nH+]c(C)n1 ZINC000065364658 558975697 /nfs/dbraw/zinc/97/56/97/558975697.db2.gz PQUGTOJRDHOGHV-UHFFFAOYSA-N 1 1 418.523 1.686 50 0 HDAAMO C[NH+]1CCN(c2cc(N3CCN(C(=O)CCCc4ccccc4)CC3)ncn2)CC1 ZINC000072437108 558980536 /nfs/dbraw/zinc/98/05/36/558980536.db2.gz UTHQWFBHOWCEFB-UHFFFAOYSA-N 1 1 408.550 1.900 50 0 HDAAMO O=C(Nc1ccc(F)cc1F)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000072441720 558981733 /nfs/dbraw/zinc/98/17/33/558981733.db2.gz CCVSZYCZNZXIHB-UHFFFAOYSA-N 1 1 404.421 1.946 50 0 HDAAMO Cc1nc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc(N2CCOCC2)[nH+]1 ZINC000067604316 558988431 /nfs/dbraw/zinc/98/84/31/558988431.db2.gz BVKOQIWTBUFCDJ-UHFFFAOYSA-N 1 1 420.517 1.994 50 0 HDAAMO O=C(NCCN1CCNC1=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067934424 558994905 /nfs/dbraw/zinc/99/49/05/558994905.db2.gz QXXAIDDMCCZLEO-UHFFFAOYSA-N 1 1 411.506 1.884 50 0 HDAAMO Cc1nccc(N2CCC3(CN(CCC[N@H+]4CC[C@H](N(C)C)C4)C(=O)O3)CC2)n1 ZINC000077300303 559000849 /nfs/dbraw/zinc/00/08/49/559000849.db2.gz NXJOUXVZVAMNRI-SFHVURJKSA-N 1 1 402.543 1.602 50 0 HDAAMO Cc1nccc(N2CCC3(CN(CCC[N@@H+]4CC[C@H](N(C)C)C4)C(=O)O3)CC2)n1 ZINC000077300303 559000851 /nfs/dbraw/zinc/00/08/51/559000851.db2.gz NXJOUXVZVAMNRI-SFHVURJKSA-N 1 1 402.543 1.602 50 0 HDAAMO CC[NH+]1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccc(OC)c5)C(=O)[C@@H]24)O3)CC1 ZINC000077459054 559006046 /nfs/dbraw/zinc/00/60/46/559006046.db2.gz GRNQMGHBSJTIAF-GJPOJAMWSA-N 1 1 411.502 1.141 50 0 HDAAMO Cc1cn(CC(=O)N[C@@H]2CCCC[N@@H+](Cc3ccccc3Cl)C2)c(=O)[nH]c1=O ZINC000082097859 559037783 /nfs/dbraw/zinc/03/77/83/559037783.db2.gz KUDHMCBDUDUPKL-MRXNPFEDSA-N 1 1 404.898 1.669 50 0 HDAAMO CC(C)OCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082116304 559039190 /nfs/dbraw/zinc/03/91/90/559039190.db2.gz UIGGAGKSXDBDPZ-IBGZPJMESA-N 1 1 402.539 1.826 50 0 HDAAMO Cn1ccc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)n1 ZINC000082119923 559039252 /nfs/dbraw/zinc/03/92/52/559039252.db2.gz OGJBGVHONQPWDW-SFHVURJKSA-N 1 1 410.522 1.448 50 0 HDAAMO CC(C)NC(=O)CN1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082121088 559039527 /nfs/dbraw/zinc/03/95/27/559039527.db2.gz ZVIJJXDKNJGUEJ-GOSISDBHSA-N 1 1 401.555 1.399 50 0 HDAAMO Cn1nccc1C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082127473 559040077 /nfs/dbraw/zinc/04/00/77/559040077.db2.gz IGPNENHWBRVIEJ-QGZVFWFLSA-N 1 1 410.522 1.448 50 0 HDAAMO O=C(N[C@H]1CCNC1=O)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000082167066 559042134 /nfs/dbraw/zinc/04/21/34/559042134.db2.gz AWQRSAZZSUJWBG-QFIPXVFZSA-N 1 1 412.578 1.800 50 0 HDAAMO Cc1noc(C)c1S(=O)(=O)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000082230657 559042880 /nfs/dbraw/zinc/04/28/80/559042880.db2.gz ZBTURGHKCSWYOR-UHFFFAOYSA-N 1 1 406.512 1.583 50 0 HDAAMO Cn1c2nc(N3CC[NH+](C)CC3)n(Cc3cccc4ccccc43)c2c(=O)[nH]c1=O ZINC000008579081 559060999 /nfs/dbraw/zinc/06/09/99/559060999.db2.gz WYFZOUATTKSAMC-UHFFFAOYSA-N 1 1 404.474 1.377 50 0 HDAAMO CCOC(=O)N1CCN([C@H]2CCC[N@@H+](Cc3cnc(N4CCOCC4)s3)C2)CC1 ZINC000091656984 559072802 /nfs/dbraw/zinc/07/28/02/559072802.db2.gz LXUOHUBPNKWQKC-KRWDZBQOSA-N 1 1 423.583 1.718 50 0 HDAAMO CN(CCC(N)=O)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091713996 559073425 /nfs/dbraw/zinc/07/34/25/559073425.db2.gz PZTBPAKTZKPNKB-HXUWFJFHSA-N 1 1 412.578 1.664 50 0 HDAAMO CN(CCC(N)=O)C(=O)[C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091713996 559073426 /nfs/dbraw/zinc/07/34/26/559073426.db2.gz PZTBPAKTZKPNKB-HXUWFJFHSA-N 1 1 412.578 1.664 50 0 HDAAMO CCN1CC[NH+](C[C@@H](O)COc2cccc(CN(C)Cc3cc(C)on3)c2)CC1 ZINC000095515311 559084506 /nfs/dbraw/zinc/08/45/06/559084506.db2.gz PCDIMEVBWDJHEG-OAQYLSRUSA-N 1 1 402.539 1.992 50 0 HDAAMO COCCNC(=O)c1ccc(OC)cc1OC1CCN(c2cc[nH+]c(N)n2)CC1 ZINC000095523040 559085639 /nfs/dbraw/zinc/08/56/39/559085639.db2.gz NQKHBFOWQYQRAR-UHFFFAOYSA-N 1 1 401.467 1.491 50 0 HDAAMO CCOc1ccc(N2C(=O)C[C@H](N3CC[NH+](CCc4ccccn4)CC3)C2=O)cc1 ZINC000100205883 559131862 /nfs/dbraw/zinc/13/18/62/559131862.db2.gz VRXCGJXVMWUMNI-NRFANRHFSA-N 1 1 408.502 1.973 50 0 HDAAMO CCOC(=O)N1CCC(Nc2c(=O)c(=O)c2NCC[N@H+]2CCCC[C@@H]2CC)CC1 ZINC000101445668 560795063 /nfs/dbraw/zinc/79/50/63/560795063.db2.gz KTHHCXHXSBKHKA-INIZCTEOSA-N 1 1 406.527 1.992 50 0 HDAAMO COC(=O)C1=C(CN2CCC[N@@H+](C)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000106615824 560892729 /nfs/dbraw/zinc/89/27/29/560892729.db2.gz QTWHPKCUSCGRHL-LJQANCHMSA-N 1 1 418.494 1.122 50 0 HDAAMO COC(=O)C1C(CN2CCC[N@@H+](C)CC2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000106615824 560892732 /nfs/dbraw/zinc/89/27/32/560892732.db2.gz QTWHPKCUSCGRHL-LJQANCHMSA-N 1 1 418.494 1.122 50 0 HDAAMO Cc1nn(C)c2ncc(NC(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)cc12 ZINC000048105797 568431967 /nfs/dbraw/zinc/43/19/67/568431967.db2.gz DCXAKCUNWWVKAN-UHFFFAOYSA-N 1 1 409.498 1.401 50 0 HDAAMO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000048274279 568434165 /nfs/dbraw/zinc/43/41/65/568434165.db2.gz IXJUQKCQXXQDSM-RTBURBONSA-N 1 1 404.490 1.377 50 0 HDAAMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNc2cncc(-n3cccn3)n2)c1 ZINC000048332853 568439324 /nfs/dbraw/zinc/43/93/24/568439324.db2.gz RLJWEOUHZDJTPX-UHFFFAOYSA-N 1 1 407.478 1.935 50 0 HDAAMO CCc1nn(CC(=O)NCCC[NH+]2CCN(C)CC2)c(=O)c2cc3sccc3n21 ZINC000020384067 568603053 /nfs/dbraw/zinc/60/30/53/568603053.db2.gz GVHVLFUPLDUASC-UHFFFAOYSA-N 1 1 416.551 1.027 50 0 HDAAMO CN1CC[NH+](CCCNC(=O)CCCn2c(=O)c3cccn3c3cccnc32)CC1 ZINC000020512842 568622170 /nfs/dbraw/zinc/62/21/70/568622170.db2.gz IGBHCDUYSKEQDE-UHFFFAOYSA-N 1 1 410.522 1.183 50 0 HDAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cn1 ZINC000040154839 568626071 /nfs/dbraw/zinc/62/60/71/568626071.db2.gz MTWLEILDTIVJGU-UHFFFAOYSA-N 1 1 417.447 1.442 50 0 HDAAMO CCOC(=O)C1C(CN2CC[NH+](CC)CC2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000020530934 568626901 /nfs/dbraw/zinc/62/69/01/568626901.db2.gz MVXTWFUNIQUEJZ-IBGZPJMESA-N 1 1 402.495 1.504 50 0 HDAAMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)N2CCCOC2=O)CC1 ZINC000225439541 568637995 /nfs/dbraw/zinc/63/79/95/568637995.db2.gz QUVRZBWXEVAEGU-HKUYNNGSSA-N 1 1 417.506 1.536 50 0 HDAAMO O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCC[NH+]1CCOCC1 ZINC000020724377 568640683 /nfs/dbraw/zinc/64/06/83/568640683.db2.gz HFBWNAKVTZUIOE-UHFFFAOYSA-N 1 1 404.898 1.792 50 0 HDAAMO CC[NH+]1CCN(C(=O)[C@H](C)n2nc(-c3ccc(OC)cc3)c(OC)cc2=O)CC1 ZINC000096101052 568691101 /nfs/dbraw/zinc/69/11/01/568691101.db2.gz LDKPXXPLCYPRSV-HNNXBMFYSA-N 1 1 400.479 1.653 50 0 HDAAMO COc1ccc(C(=O)N2CCN(C[C@@H]3C[N@@H+](C[C@@H](O)C(C)C)CCO3)CC2)cc1 ZINC000096281269 568718783 /nfs/dbraw/zinc/71/87/83/568718783.db2.gz QLAHAXZKDAHRTO-NHCUHLMSSA-N 1 1 405.539 1.171 50 0 HDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4ccc(C)cc4)c(=O)c3s2)CC1 ZINC000021886439 568758648 /nfs/dbraw/zinc/75/86/48/568758648.db2.gz GNBDKMMZEDNBFK-UHFFFAOYSA-N 1 1 412.519 1.942 50 0 HDAAMO Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000021936344 568762258 /nfs/dbraw/zinc/76/22/58/568762258.db2.gz QBWZRDGTJDZZQN-UHFFFAOYSA-N 1 1 403.504 1.405 50 0 HDAAMO CN(C)S(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000056997145 568822469 /nfs/dbraw/zinc/82/24/69/568822469.db2.gz WTGORQKZYKYMAR-UHFFFAOYSA-N 1 1 416.547 1.489 50 0 HDAAMO C[N@@H+](C[C@@H](O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCCC1 ZINC000003211819 568846657 /nfs/dbraw/zinc/84/66/57/568846657.db2.gz JAAWIAFOLYWFDX-GOSISDBHSA-N 1 1 412.552 1.712 50 0 HDAAMO Cc1cccc(N2CC[NH+](CCNC(=O)Cn3ncn4cccc4c3=O)CC2)c1C ZINC000058133165 568889969 /nfs/dbraw/zinc/88/99/69/568889969.db2.gz ZVWNSJIIBOEEHO-UHFFFAOYSA-N 1 1 408.506 1.051 50 0 HDAAMO CC[C@](C)(CNC(=O)NCc1ccccc1S(=O)(=O)N(C)C)[NH+]1CCOCC1 ZINC000031162345 568916624 /nfs/dbraw/zinc/91/66/24/568916624.db2.gz ZCTILYHASHHMSP-LJQANCHMSA-N 1 1 412.556 1.237 50 0 HDAAMO CC(C)c1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCN(C)C)cc1 ZINC000015862664 569015997 /nfs/dbraw/zinc/01/59/97/569015997.db2.gz DSPSHNSQSYDUCY-UHFFFAOYSA-N 1 1 410.584 1.184 50 0 HDAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016040838 569028157 /nfs/dbraw/zinc/02/81/57/569028157.db2.gz DUKIQHQRTZFDOR-MANSERQUSA-N 1 1 403.394 1.416 50 0 biogenic HDAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016040838 569028158 /nfs/dbraw/zinc/02/81/58/569028158.db2.gz DUKIQHQRTZFDOR-MANSERQUSA-N 1 1 403.394 1.416 50 0 biogenic HDAAMO Cn1ncc2c3ccccc3n(CCCC(=O)NCCC[NH+]3CCOCC3)c2c1=O ZINC000035372321 569033841 /nfs/dbraw/zinc/03/38/41/569033841.db2.gz JTJADKQCNPHQRC-UHFFFAOYSA-N 1 1 411.506 1.507 50 0 HDAAMO O=C(C[NH2+]Cc1ccco1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000006322483 569043085 /nfs/dbraw/zinc/04/30/85/569043085.db2.gz BPKQPYJDIVSBBQ-UHFFFAOYSA-N 1 1 413.883 1.682 50 0 HDAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000030566821 569052180 /nfs/dbraw/zinc/05/21/80/569052180.db2.gz VGCUMYRUNBSLIG-IIDMSEBBSA-N 1 1 401.511 1.111 50 0 HDAAMO C[N@H+]1CCN2c3ccccc3C[C@@]3(C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)[C@H]2C1 ZINC000245329447 569056039 /nfs/dbraw/zinc/05/60/39/569056039.db2.gz ZCGAAJZZWYCMKO-GCJKJVERSA-N 1 1 408.433 1.772 50 0 HDAAMO C[N@H+]1CCN2c3ccccc3C[C@@]3(C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)[C@H]2C1 ZINC000245329447 569056041 /nfs/dbraw/zinc/05/60/41/569056041.db2.gz ZCGAAJZZWYCMKO-GCJKJVERSA-N 1 1 408.433 1.772 50 0 HDAAMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cccc(=O)n1CCOc1ccccc1Cl ZINC000089382522 569058820 /nfs/dbraw/zinc/05/88/20/569058820.db2.gz CPTBRWXSPZJIJI-MRXNPFEDSA-N 1 1 418.925 1.556 50 0 HDAAMO COCCN1C(=O)NC(=O)[C@]2(Cc3c(Cl)cccc3N3CC[N@@H+](C)C[C@H]32)C1=O ZINC000035877378 569064337 /nfs/dbraw/zinc/06/43/37/569064337.db2.gz BIXOVXYSMVYVII-HNAYVOBHSA-N 1 1 406.870 1.568 50 0 HDAAMO COc1ccccc1-c1cc(C(=O)N2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)no1 ZINC000036001465 569075168 /nfs/dbraw/zinc/07/51/68/569075168.db2.gz VMSYGYYRWTYFLX-INIZCTEOSA-N 1 1 412.490 1.976 50 0 HDAAMO COc1cccc(C[N@H+](C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000007003138 569199029 /nfs/dbraw/zinc/19/90/29/569199029.db2.gz YSZCZPGRSPWGKK-UHFFFAOYSA-N 1 1 417.531 1.660 50 0 HDAAMO COc1cccc(C[N@@H+](C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000007003138 569199030 /nfs/dbraw/zinc/19/90/30/569199030.db2.gz YSZCZPGRSPWGKK-UHFFFAOYSA-N 1 1 417.531 1.660 50 0 HDAAMO C[NH+]1CCN(C(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)CC1 ZINC000524734178 569213343 /nfs/dbraw/zinc/21/33/43/569213343.db2.gz FTZLGPFWEQVRSF-NRFANRHFSA-N 1 1 404.470 1.966 50 0 HDAAMO Cn1ncc(N2CCC[C@@H](C(=O)NCCC[N@H+]3CCc4ccccc4C3)C2)cc1=O ZINC000065313910 569222989 /nfs/dbraw/zinc/22/29/89/569222989.db2.gz PCOFNKDEOMISGL-HXUWFJFHSA-N 1 1 409.534 1.561 50 0 HDAAMO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(Cc3c(C)noc3C)CC2)cc1 ZINC000071283100 569251849 /nfs/dbraw/zinc/25/18/49/569251849.db2.gz BLKABWASXRQLNT-GOSISDBHSA-N 1 1 403.479 1.636 50 0 HDAAMO COc1cccc(N2CC[N@H+](CC(=O)N3CCN(C(=O)C4CC4)CC3)C[C@H]2C)c1 ZINC000089939387 569269301 /nfs/dbraw/zinc/26/93/01/569269301.db2.gz OOUHXZSHPPPWMK-QGZVFWFLSA-N 1 1 400.523 1.287 50 0 HDAAMO COc1cccc(N2CC[N@@H+](CC(=O)N3CCN(C(=O)C4CC4)CC3)C[C@H]2C)c1 ZINC000089939387 569269303 /nfs/dbraw/zinc/26/93/03/569269303.db2.gz OOUHXZSHPPPWMK-QGZVFWFLSA-N 1 1 400.523 1.287 50 0 HDAAMO CC(C)C[NH+]1CCN([C@@H]2CCOC3(CCN(C(=O)c4cnccn4)CC3)C2)CC1 ZINC000581820136 569320986 /nfs/dbraw/zinc/32/09/86/569320986.db2.gz UJBIRKXMEBLLCS-LJQANCHMSA-N 1 1 401.555 1.904 50 0 HDAAMO C[C@@H](C(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1)[NH+]1CCSCC1 ZINC000253417678 569367276 /nfs/dbraw/zinc/36/72/76/569367276.db2.gz DGRPRAHMKSLUCM-IRXDYDNUSA-N 1 1 412.600 1.577 50 0 HDAAMO CCN(C(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013057137 569408211 /nfs/dbraw/zinc/40/82/11/569408211.db2.gz ISEFWOKZPQQBFR-IYBDPMFKSA-N 1 1 413.522 1.498 50 0 HDAAMO COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCc2cccs2)cc1 ZINC000013371687 569413055 /nfs/dbraw/zinc/41/30/55/569413055.db2.gz RRYQGSXIBLTVBR-IRXDYDNUSA-N 1 1 415.558 1.528 50 0 HDAAMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2ccn(-c3ccccc3Cl)n2)CC1=O ZINC000328591898 569415087 /nfs/dbraw/zinc/41/50/87/569415087.db2.gz QACGLPKMXMAEJR-OAHLLOKOSA-N 1 1 419.913 1.435 50 0 HDAAMO CN1CC[NH+](CCCNC(=O)CCc2nc3cc(Br)cnc3[nH]2)CC1 ZINC000079491921 569432457 /nfs/dbraw/zinc/43/24/57/569432457.db2.gz DRVVSNFFSLILTA-UHFFFAOYSA-N 1 1 409.332 1.407 50 0 HDAAMO CN(C)C(=O)Cc1ccc(NC(=O)NC[C@@H]([C@H]2CCOC2)[NH+]2CCOCC2)cc1 ZINC000069414174 571227791 /nfs/dbraw/zinc/22/77/91/571227791.db2.gz OPMRPEWBMLPHNE-HKUYNNGSSA-N 1 1 404.511 1.176 50 0 HDAAMO CN(CC(=O)NC(C)(C)C)C(=O)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000015554716 571249882 /nfs/dbraw/zinc/24/98/82/571249882.db2.gz VEYQHFIOEDEKOJ-UHFFFAOYSA-N 1 1 402.539 1.388 50 0 HDAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1CCc1ccccc1)N1CCN(Cc2cccnc2)CC1 ZINC000012431195 1073942856 /nfs/dbraw/zinc/94/28/56/1073942856.db2.gz LVNGREPQHYCGGR-JOCHJYFZSA-N 1 1 421.545 1.159 50 0 HDAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1CCc1ccccc1)N1CCN(Cc2cccnc2)CC1 ZINC000012431195 1073942858 /nfs/dbraw/zinc/94/28/58/1073942858.db2.gz LVNGREPQHYCGGR-JOCHJYFZSA-N 1 1 421.545 1.159 50 0 HDAAMO