smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000010959014 1072919576 /nfs/dbraw/zinc/91/95/76/1072919576.db2.gz NFHLZKXTKDWXAY-UHFFFAOYSA-N 1 1 427.431 0.758 20 0 ICADMO CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CC[NH2+][C@H](C(N)=O)C3)c2c1C ZINC000011174089 1072925792 /nfs/dbraw/zinc/92/57/92/1072925792.db2.gz NCTMCAAWRYNXMA-ZDUSSCGKSA-N 1 1 448.549 0.272 20 0 ICADMO CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CC[NH2+][C@@H](C(N)=O)C3)c2c1C ZINC000011174103 1072925812 /nfs/dbraw/zinc/92/58/12/1072925812.db2.gz NCTMCAAWRYNXMA-CYBMUJFWSA-N 1 1 448.549 0.272 20 0 ICADMO O=S(=O)(c1cccc(F)c1)N1CCN(C(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000016314859 1073563846 /nfs/dbraw/zinc/56/38/46/1073563846.db2.gz ZHGRTYUQEJRKOG-UHFFFAOYSA-N 1 1 430.571 0.729 20 0 ICADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000022014571 1072561259 /nfs/dbraw/zinc/56/12/59/1072561259.db2.gz NEUVAFILGCFAPS-INIZCTEOSA-N 1 1 426.514 0.211 20 0 ICADMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000022014571 1072561251 /nfs/dbraw/zinc/56/12/51/1072561251.db2.gz NEUVAFILGCFAPS-INIZCTEOSA-N 1 1 426.514 0.211 20 0 ICADMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C(=O)N(C)C)CC2)cc1C ZINC000022014586 1072561300 /nfs/dbraw/zinc/56/13/00/1072561300.db2.gz IAXXSRIATAVAHT-IBGZPJMESA-N 1 1 436.578 0.689 20 0 ICADMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCC[C@H]3C(=O)N(C)C)CC2)cc1C ZINC000022014586 1072561288 /nfs/dbraw/zinc/56/12/88/1072561288.db2.gz IAXXSRIATAVAHT-IBGZPJMESA-N 1 1 436.578 0.689 20 0 ICADMO O=S(=O)(c1ccc(NCCC[NH+]2CCN(c3ncccn3)CC2)nc1)N1CCOCC1 ZINC000029584871 1072749391 /nfs/dbraw/zinc/74/93/91/1072749391.db2.gz OARHHERADJKKQU-UHFFFAOYSA-N 1 1 447.565 0.517 20 0 ICADMO CCCNC(=O)C[NH+]1CCC(Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC000029622365 1072753958 /nfs/dbraw/zinc/75/39/58/1072753958.db2.gz ICTCOLBNAJKXEQ-UHFFFAOYSA-N 1 1 425.555 0.505 20 0 ICADMO CC(C)(C)C(=O)Nc1ccnc(N2CCN3CC[NH2+]C[C@H]3C2)c1CN1CC[C@@H](CO)C1 ZINC001164404044 718837501 /nfs/dbraw/zinc/83/75/01/718837501.db2.gz KZEFMASPQAEUCG-MSOLQXFVSA-N 1 1 430.597 0.974 20 0 ICADMO CC(C)(C)C(=O)Nc1ccnc(N2CCN3CC[NH2+]C[C@@H]3C2)c1CN1CC[C@@H](CO)C1 ZINC001164404049 718837537 /nfs/dbraw/zinc/83/75/37/718837537.db2.gz KZEFMASPQAEUCG-QZTJIDSGSA-N 1 1 430.597 0.974 20 0 ICADMO CC(C)(C)C(=O)Nc1ccnc(N2CCN3CC[NH2+]C[C@H]3C2)c1CN1CC[C@H](CO)C1 ZINC001164404053 718837440 /nfs/dbraw/zinc/83/74/40/718837440.db2.gz KZEFMASPQAEUCG-ROUUACIJSA-N 1 1 430.597 0.974 20 0 ICADMO CC(C)(C)C(=O)Nc1ccnc(N2CCN3CC[NH2+]C[C@@H]3C2)c1CN1CC[C@H](CO)C1 ZINC001164404055 718837564 /nfs/dbraw/zinc/83/75/64/718837564.db2.gz KZEFMASPQAEUCG-ZWKOTPCHSA-N 1 1 430.597 0.974 20 0 ICADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C[NH2+]C[C@@]3(CO)C2)c1CN1CC[C@@H](CO)C1 ZINC001164406299 718852373 /nfs/dbraw/zinc/85/23/73/718852373.db2.gz NKJGZWJJJOIXIY-DGGJZMOXSA-N 1 1 431.581 0.899 20 0 ICADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C[NH2+]C[C@]3(CO)C2)c1CN1CC[C@H](CO)C1 ZINC001164406319 718852344 /nfs/dbraw/zinc/85/23/44/718852344.db2.gz NKJGZWJJJOIXIY-HKARXFIJSA-N 1 1 431.581 0.899 20 0 ICADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C[NH2+]C[C@@]3(CO)C2)c1CN1CC[C@H](CO)C1 ZINC001164406324 718852394 /nfs/dbraw/zinc/85/23/94/718852394.db2.gz NKJGZWJJJOIXIY-QQMNAOGKSA-N 1 1 431.581 0.899 20 0 ICADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C[NH2+]C[C@]3(CO)C2)c1CN1CC[C@@H](CO)C1 ZINC001164406327 718852467 /nfs/dbraw/zinc/85/24/67/718852467.db2.gz NKJGZWJJJOIXIY-SAHWJRBASA-N 1 1 431.581 0.899 20 0 ICADMO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ccc(N3CCN(C)CC3)nn1)C2 ZINC001164434107 718968577 /nfs/dbraw/zinc/96/85/77/718968577.db2.gz OFLBAXCNKCBKGM-MSOLQXFVSA-N 1 1 428.459 0.750 20 0 ICADMO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ccc(N3CCN(C)CC3)nn1)C2 ZINC001164434108 718968241 /nfs/dbraw/zinc/96/82/41/718968241.db2.gz OFLBAXCNKCBKGM-QZTJIDSGSA-N 1 1 428.459 0.750 20 0 ICADMO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ccc(N3CCN(C)CC3)nn1)C2 ZINC001164434109 718968402 /nfs/dbraw/zinc/96/84/02/718968402.db2.gz OFLBAXCNKCBKGM-ROUUACIJSA-N 1 1 428.459 0.750 20 0 ICADMO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ccc(N3CCN(C)CC3)nn1)C2 ZINC001164434110 718968430 /nfs/dbraw/zinc/96/84/30/718968430.db2.gz OFLBAXCNKCBKGM-ZWKOTPCHSA-N 1 1 428.459 0.750 20 0 ICADMO CCOC(=O)c1nc2ccn(C)c2c(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)n1 ZINC001164639923 719279030 /nfs/dbraw/zinc/27/90/30/719279030.db2.gz LWXQQCDAZNCHEZ-UHFFFAOYSA-N 1 1 444.536 0.904 20 0 ICADMO CCOC(=O)c1nc2ccn(C)c2c(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)n1 ZINC001164639923 719279023 /nfs/dbraw/zinc/27/90/23/719279023.db2.gz LWXQQCDAZNCHEZ-UHFFFAOYSA-N 1 1 444.536 0.904 20 0 ICADMO COC(=O)c1cc(S(N)(=O)=O)cnc1N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001164650293 719316211 /nfs/dbraw/zinc/31/62/11/719316211.db2.gz BNRMRWRTUUVKLU-UHFFFAOYSA-N 1 1 436.538 0.917 20 0 ICADMO Cc1oncc1C(=O)N[C@@H]1CN(c2ccnc(N3CC[NH+](C)CC3)n2)C[C@@H]2CCCO[C@H]12 ZINC001164654083 719320839 /nfs/dbraw/zinc/32/08/39/719320839.db2.gz OKKJCFLNCIZDRJ-HQRMLTQVSA-N 1 1 441.536 0.939 20 0 ICADMO Cc1oncc1C(=O)N[C@@H]1CN(c2ccnc(N3CC[NH+](C)CC3)n2)C[C@@H]2CCCO[C@@H]12 ZINC001164654086 719320968 /nfs/dbraw/zinc/32/09/68/719320968.db2.gz OKKJCFLNCIZDRJ-ILZDJORESA-N 1 1 441.536 0.939 20 0 ICADMO Cc1oncc1C(=O)N[C@@H]1CN(c2ccnc(N3CC[NH+](C)CC3)n2)C[C@H]2CCCO[C@@H]21 ZINC001164654087 719320717 /nfs/dbraw/zinc/32/07/17/719320717.db2.gz OKKJCFLNCIZDRJ-POAQFYNOSA-N 1 1 441.536 0.939 20 0 ICADMO Cc1oncc1C(=O)N[C@@H]1CN(c2ccnc(N3CC[NH+](C)CC3)n2)C[C@H]2CCCO[C@H]21 ZINC001164654089 719320845 /nfs/dbraw/zinc/32/08/45/719320845.db2.gz OKKJCFLNCIZDRJ-YVWKXTFCSA-N 1 1 441.536 0.939 20 0 ICADMO COC(=O)c1cnc(N2CC[NH+](CC(C)C)CC2)c(S(=O)(=O)N2CCOCC2)c1 ZINC001164657676 719338294 /nfs/dbraw/zinc/33/82/94/719338294.db2.gz YDEGXOMUYOFWLU-UHFFFAOYSA-N 1 1 426.539 0.667 20 0 ICADMO COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CN1 ZINC001164666114 719394047 /nfs/dbraw/zinc/39/40/47/719394047.db2.gz JGDXMSKWRDQSOH-FZDIXFNVSA-N 1 1 443.504 0.440 20 0 ICADMO COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)CN1 ZINC001164666117 719393910 /nfs/dbraw/zinc/39/39/10/719393910.db2.gz JGDXMSKWRDQSOH-QZHFEQFPSA-N 1 1 443.504 0.440 20 0 ICADMO COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)CN1 ZINC001164666119 719394016 /nfs/dbraw/zinc/39/40/16/719394016.db2.gz JGDXMSKWRDQSOH-UDTPNQRGSA-N 1 1 443.504 0.440 20 0 ICADMO COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)CN1 ZINC001164666120 719394366 /nfs/dbraw/zinc/39/43/66/719394366.db2.gz JGDXMSKWRDQSOH-WQANXHIZSA-N 1 1 443.504 0.440 20 0 ICADMO CN(C[C@H](O)CO)c1nc2cc(CN3CC[NH+](C)CC3)sc2c(N2CCOCC2)n1 ZINC001164667511 719365691 /nfs/dbraw/zinc/36/56/91/719365691.db2.gz JOXMPXNHXLTEHQ-HNNXBMFYSA-N 1 1 436.582 0.065 20 0 ICADMO CN(C[C@@H](O)CO)c1nc2cc(CN3CC[NH+](C)CC3)sc2c(N2CCOCC2)n1 ZINC001164667512 719365799 /nfs/dbraw/zinc/36/57/99/719365799.db2.gz JOXMPXNHXLTEHQ-OAHLLOKOSA-N 1 1 436.582 0.065 20 0 ICADMO COC(=O)C1CCN(c2cc[nH+]c(N3CCn4c(CN5CCOCC5)nnc4C3)n2)CC1 ZINC001164677753 719581936 /nfs/dbraw/zinc/58/19/36/719581936.db2.gz CBPWKIAMBCHAQB-UHFFFAOYSA-N 1 1 442.524 0.310 20 0 ICADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001164683737 719732229 /nfs/dbraw/zinc/73/22/29/719732229.db2.gz FCCZGESIQPYDFV-UHFFFAOYSA-N 1 1 446.552 0.671 20 0 ICADMO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1ccnc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164684342 719692405 /nfs/dbraw/zinc/69/24/05/719692405.db2.gz ICFMWGAJVUSMJR-KRWDZBQOSA-N 1 1 440.552 0.753 20 0 ICADMO C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1ccnc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164684347 719692591 /nfs/dbraw/zinc/69/25/91/719692591.db2.gz ICFMWGAJVUSMJR-QGZVFWFLSA-N 1 1 440.552 0.753 20 0 ICADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncccc1S(=O)(=O)N1CCOCC1)CC2 ZINC001164684530 719731805 /nfs/dbraw/zinc/73/18/05/719731805.db2.gz HVVCKIMEFLCIKA-UHFFFAOYSA-N 1 1 437.566 0.283 20 0 ICADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc3c(ncn3C)c(N3CCOCC3)n1)CC2 ZINC001164685237 719710844 /nfs/dbraw/zinc/71/08/44/719710844.db2.gz SRNFWMNYWZZUQF-UHFFFAOYSA-N 1 1 428.541 0.381 20 0 ICADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(OC)nc(N3CCn4ccnc4C3)n1)CC2 ZINC001164689633 719751118 /nfs/dbraw/zinc/75/11/18/719751118.db2.gz JOQZWKZLWWGXHE-UHFFFAOYSA-N 1 1 441.540 0.278 20 0 ICADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(S(=O)(=O)N3CCOCC3)cn1)CC2 ZINC001164689902 719740672 /nfs/dbraw/zinc/74/06/72/719740672.db2.gz OFYWBTOPCPYPJB-UHFFFAOYSA-N 1 1 437.566 0.283 20 0 ICADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(C(=O)N3CCS(=O)(=O)CC3)cn1)CC2 ZINC001164690108 719747300 /nfs/dbraw/zinc/74/73/00/719747300.db2.gz STEURPUQKGFBSR-UHFFFAOYSA-N 1 1 449.577 0.133 20 0 ICADMO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001164704993 719865509 /nfs/dbraw/zinc/86/55/09/719865509.db2.gz MTNNTXZFIIJVHS-AOMKIAJQSA-N 1 1 446.552 0.149 20 0 ICADMO COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001164704994 719865499 /nfs/dbraw/zinc/86/54/99/719865499.db2.gz MTNNTXZFIIJVHS-KSFYIVLOSA-N 1 1 446.552 0.149 20 0 ICADMO COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001164704995 719865718 /nfs/dbraw/zinc/86/57/18/719865718.db2.gz MTNNTXZFIIJVHS-OPAMFIHVSA-N 1 1 446.552 0.149 20 0 ICADMO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001164704996 719865585 /nfs/dbraw/zinc/86/55/85/719865585.db2.gz MTNNTXZFIIJVHS-ZHRRBRCNSA-N 1 1 446.552 0.149 20 0 ICADMO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1cccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164708144 719920166 /nfs/dbraw/zinc/92/01/66/719920166.db2.gz FJCJSFKVWRNKSH-UHFFFAOYSA-N 1 1 438.580 0.693 20 0 ICADMO COCCn1ccc2c1nc[nH+]c2N1CCc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1 ZINC001164709340 719911364 /nfs/dbraw/zinc/91/13/64/719911364.db2.gz SWSCVIUMFMOOTI-UHFFFAOYSA-N 1 1 438.536 0.762 20 0 ICADMO C[NH+]1CCN(c2nccc(N3C[C@@H](NC(=O)c4cnccn4)[C@H]4OCCC[C@H]4C3)n2)CC1 ZINC001164709868 720055119 /nfs/dbraw/zinc/05/51/19/720055119.db2.gz BNURLUCHPYQSLX-HQRMLTQVSA-N 1 1 438.536 0.432 20 0 ICADMO C[NH+]1CCN(c2nccc(N3C[C@@H](NC(=O)c4cnccn4)[C@@H]4OCCC[C@H]4C3)n2)CC1 ZINC001164709870 720055498 /nfs/dbraw/zinc/05/54/98/720055498.db2.gz BNURLUCHPYQSLX-ILZDJORESA-N 1 1 438.536 0.432 20 0 ICADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4CCCO[C@@H]4[C@@H](NC(=O)c4cnccn4)C3)n2)CC1 ZINC001164709872 720055243 /nfs/dbraw/zinc/05/52/43/720055243.db2.gz BNURLUCHPYQSLX-QRFRQXIXSA-N 1 1 438.536 0.432 20 0 ICADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4CCCO[C@H]4[C@@H](NC(=O)c4cnccn4)C3)n2)CC1 ZINC001164709874 720055524 /nfs/dbraw/zinc/05/55/24/720055524.db2.gz BNURLUCHPYQSLX-XKGZKEIXSA-N 1 1 438.536 0.432 20 0 ICADMO Cn1nnc2c1CCN(c1ccc(N3CCN(C)CC3)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164712890 720168962 /nfs/dbraw/zinc/16/89/62/720168962.db2.gz HMBSNYAQYYLMCX-IBGZPJMESA-N 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COC(=O)c1cc(S(N)(=O)=O)cnc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164765131 721213713 /nfs/dbraw/zinc/21/37/13/721213713.db2.gz HXPZPIJVHJYVGB-HUUCEWRRSA-N 1 1 434.522 0.207 20 0 ICADMO COC(=O)c1cc(S(N)(=O)=O)cnc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164765134 721214116 /nfs/dbraw/zinc/21/41/16/721214116.db2.gz HXPZPIJVHJYVGB-LSDHHAIUSA-N 1 1 434.522 0.207 20 0 ICADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc5c(ncn5C)c(N5CCOCC5)n4)C[C@@H]3C2)cn1 ZINC001164767392 721103267 /nfs/dbraw/zinc/10/32/67/721103267.db2.gz LPKVVYFPLDDMBN-MSOLQXFVSA-N 1 1 437.552 0.892 20 0 ICADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc5c(ncn5C)c(N5CCOCC5)n4)C[C@H]3C2)cn1 ZINC001164767393 721102145 /nfs/dbraw/zinc/10/21/45/721102145.db2.gz LPKVVYFPLDDMBN-QZTJIDSGSA-N 1 1 437.552 0.892 20 0 ICADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc5c(ncn5C)c(N5CCOCC5)n4)C[C@@H]3C2)cn1 ZINC001164767394 721102495 /nfs/dbraw/zinc/10/24/95/721102495.db2.gz LPKVVYFPLDDMBN-ROUUACIJSA-N 1 1 437.552 0.892 20 0 ICADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc5c(ncn5C)c(N5CCOCC5)n4)C[C@H]3C2)cn1 ZINC001164767396 721103437 /nfs/dbraw/zinc/10/34/37/721103437.db2.gz LPKVVYFPLDDMBN-ZWKOTPCHSA-N 1 1 437.552 0.892 20 0 ICADMO Cn1cccc1C(=O)N[C@H]1CN(c2ccnc(N3CC[NH+](C)CC3)n2)[C@H]2CCCO[C@H]12 ZINC001164768457 721067629 /nfs/dbraw/zinc/06/76/29/721067629.db2.gz NLISZEGHUWWHSF-ABSDTBQOSA-N 1 1 425.537 0.733 20 0 ICADMO Cn1cccc1C(=O)N[C@H]1CN(c2ccnc(N3CC[NH+](C)CC3)n2)[C@@H]2CCCO[C@H]21 ZINC001164768461 721067442 /nfs/dbraw/zinc/06/74/42/721067442.db2.gz NLISZEGHUWWHSF-QKLQHJQFSA-N 1 1 425.537 0.733 20 0 ICADMO Cn1cccc1C(=O)N[C@H]1CN(c2ccnc(N3CC[NH+](C)CC3)n2)[C@@H]2CCCO[C@@H]21 ZINC001164768465 721067610 /nfs/dbraw/zinc/06/76/10/721067610.db2.gz NLISZEGHUWWHSF-SQGPQFPESA-N 1 1 425.537 0.733 20 0 ICADMO Cn1cccc1C(=O)N[C@H]1CN(c2ccnc(N3CC[NH+](C)CC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164768468 721067570 /nfs/dbraw/zinc/06/75/70/721067570.db2.gz NLISZEGHUWWHSF-ZWOKBUDYSA-N 1 1 425.537 0.733 20 0 ICADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(S(=O)(=O)N5CCOCC5)cn4)C[C@@H]3C2)cn1 ZINC001164773326 721198618 /nfs/dbraw/zinc/19/86/18/721198618.db2.gz WGWJMXYDPKWWFR-MOPGFXCFSA-N 1 1 446.577 0.794 20 0 ICADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(S(=O)(=O)N5CCOCC5)cn4)C[C@@H]3C2)cn1 ZINC001164773327 721200317 /nfs/dbraw/zinc/20/03/17/721200317.db2.gz WGWJMXYDPKWWFR-OALUTQOASA-N 1 1 446.577 0.794 20 0 ICADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(S(=O)(=O)N5CCOCC5)cn4)C[C@H]3C2)cn1 ZINC001164773328 721199747 /nfs/dbraw/zinc/19/97/47/721199747.db2.gz WGWJMXYDPKWWFR-RBUKOAKNSA-N 1 1 446.577 0.794 20 0 ICADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(S(=O)(=O)N5CCOCC5)cn4)C[C@H]3C2)cn1 ZINC001164773329 721200604 /nfs/dbraw/zinc/20/06/04/721200604.db2.gz WGWJMXYDPKWWFR-RTBURBONSA-N 1 1 446.577 0.794 20 0 ICADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncccc4S(=O)(=O)N4CCOCC4)C[C@@H]3C2)cn1 ZINC001164773374 721168207 /nfs/dbraw/zinc/16/82/07/721168207.db2.gz WVLQTLFNCQDZGS-MOPGFXCFSA-N 1 1 446.577 0.794 20 0 ICADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncccc4S(=O)(=O)N4CCOCC4)C[C@@H]3C2)cn1 ZINC001164773375 721166518 /nfs/dbraw/zinc/16/65/18/721166518.db2.gz WVLQTLFNCQDZGS-OALUTQOASA-N 1 1 446.577 0.794 20 0 ICADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncccc4S(=O)(=O)N4CCOCC4)C[C@H]3C2)cn1 ZINC001164773376 721167127 /nfs/dbraw/zinc/16/71/27/721167127.db2.gz WVLQTLFNCQDZGS-RBUKOAKNSA-N 1 1 446.577 0.794 20 0 ICADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncccc4S(=O)(=O)N4CCOCC4)C[C@H]3C2)cn1 ZINC001164773377 721168579 /nfs/dbraw/zinc/16/85/79/721168579.db2.gz WVLQTLFNCQDZGS-RTBURBONSA-N 1 1 446.577 0.794 20 0 ICADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(S(N)(=O)=O)nn1)CC2 ZINC001164786343 721470362 /nfs/dbraw/zinc/47/03/62/721470362.db2.gz AURUXTOLMOFXLF-KRWDZBQOSA-N 1 1 439.582 0.858 20 0 ICADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(S(N)(=O)=O)nn1)CC2 ZINC001164786347 721470109 /nfs/dbraw/zinc/47/01/09/721470109.db2.gz AURUXTOLMOFXLF-QGZVFWFLSA-N 1 1 439.582 0.858 20 0 ICADMO O=C(c1ccc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc1)N1CCS(=O)(=O)CC1 ZINC001164789581 721431416 /nfs/dbraw/zinc/43/14/16/721431416.db2.gz VTYNAPAHILRGBL-CALCHBBNSA-N 1 1 447.586 0.977 20 0 ICADMO O=C(c1ccc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc1)N1CCS(=O)(=O)CC1 ZINC001164789581 721431413 /nfs/dbraw/zinc/43/14/13/721431413.db2.gz VTYNAPAHILRGBL-CALCHBBNSA-N 1 1 447.586 0.977 20 0 ICADMO O=C(c1ccc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc1)N1CCS(=O)(=O)CC1 ZINC001164789584 721431334 /nfs/dbraw/zinc/43/13/34/721431334.db2.gz VTYNAPAHILRGBL-IAGOWNOFSA-N 1 1 447.586 0.977 20 0 ICADMO O=C(c1ccc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc1)N1CCS(=O)(=O)CC1 ZINC001164789587 721431210 /nfs/dbraw/zinc/43/12/10/721431210.db2.gz VTYNAPAHILRGBL-IRXDYDNUSA-N 1 1 447.586 0.977 20 0 ICADMO CN1CCN(Cc2cn3c(n2)CN(c2ccc(OCC4CC[NH2+]CC4)nn2)CC3)CC1 ZINC001164795635 721521481 /nfs/dbraw/zinc/52/14/81/721521481.db2.gz PVANVYHZWVPSBH-UHFFFAOYSA-N 1 1 426.569 0.819 20 0 ICADMO C[NH+]1CCN(c2nccc(N3CCOC[C@@]4(CN(c5ccsc5)C(=O)CO4)C3)n2)CC1 ZINC001164796413 721594401 /nfs/dbraw/zinc/59/44/01/721594401.db2.gz BXGBFNAFVYIUHZ-NRFANRHFSA-N 1 1 444.561 0.929 20 0 ICADMO C[NH+]1CCN(c2nccc(N3CCOC[C@]4(CN(c5ccsc5)C(=O)CO4)C3)n2)CC1 ZINC001164796414 721594407 /nfs/dbraw/zinc/59/44/07/721594407.db2.gz BXGBFNAFVYIUHZ-OAQYLSRUSA-N 1 1 444.561 0.929 20 0 ICADMO O=C([C@@H]1CCS(=O)(=O)[C@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]21)N1CCOCC1 ZINC001164797915 721605190 /nfs/dbraw/zinc/60/51/90/721605190.db2.gz CULVIKMKCSNDGV-AABGKKOBSA-N 1 1 448.589 0.776 20 0 ICADMO O=C([C@@H]1CCS(=O)(=O)[C@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]21)N1CCOCC1 ZINC001164797917 721605081 /nfs/dbraw/zinc/60/50/81/721605081.db2.gz CULVIKMKCSNDGV-AQNXPRMDSA-N 1 1 448.589 0.776 20 0 ICADMO O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]21)N1CCOCC1 ZINC001164797919 721605134 /nfs/dbraw/zinc/60/51/34/721605134.db2.gz CULVIKMKCSNDGV-HSALFYBXSA-N 1 1 448.589 0.776 20 0 ICADMO O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]21)N1CCOCC1 ZINC001164797920 721605186 /nfs/dbraw/zinc/60/51/86/721605186.db2.gz CULVIKMKCSNDGV-VAMGGRTRSA-N 1 1 448.589 0.776 20 0 ICADMO C[N@@H+](Cc1ccc(N2C[C@H]3[C@H](C2)[C@H](C(=O)N2CCOCC2)CCS3(=O)=O)nc1)C1CC1 ZINC001164798821 721605195 /nfs/dbraw/zinc/60/51/95/721605195.db2.gz JFQVSJBBRDDDJF-AQNXPRMDSA-N 1 1 448.589 0.774 20 0 ICADMO C[N@H+](Cc1ccc(N2C[C@H]3[C@H](C2)[C@H](C(=O)N2CCOCC2)CCS3(=O)=O)nc1)C1CC1 ZINC001164798821 721605194 /nfs/dbraw/zinc/60/51/94/721605194.db2.gz JFQVSJBBRDDDJF-AQNXPRMDSA-N 1 1 448.589 0.774 20 0 ICADMO C[N@@H+](Cc1ccc(N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)nc1)C1CC1 ZINC001164798823 721605068 /nfs/dbraw/zinc/60/50/68/721605068.db2.gz JFQVSJBBRDDDJF-VAMGGRTRSA-N 1 1 448.589 0.774 20 0 ICADMO C[N@H+](Cc1ccc(N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)nc1)C1CC1 ZINC001164798823 721605066 /nfs/dbraw/zinc/60/50/66/721605066.db2.gz JFQVSJBBRDDDJF-VAMGGRTRSA-N 1 1 448.589 0.774 20 0 ICADMO C[N@@H+](Cc1ccc(N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)nc1)C1CC1 ZINC001164798825 721605165 /nfs/dbraw/zinc/60/51/65/721605165.db2.gz JFQVSJBBRDDDJF-XUVXKRRUSA-N 1 1 448.589 0.774 20 0 ICADMO C[N@H+](Cc1ccc(N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)nc1)C1CC1 ZINC001164798825 721605164 /nfs/dbraw/zinc/60/51/64/721605164.db2.gz JFQVSJBBRDDDJF-XUVXKRRUSA-N 1 1 448.589 0.774 20 0 ICADMO C[N@@H+](Cc1ccc(N2C[C@H]3[C@H](C2)[C@@H](C(=O)N2CCOCC2)CCS3(=O)=O)nc1)C1CC1 ZINC001164798827 721605126 /nfs/dbraw/zinc/60/51/26/721605126.db2.gz JFQVSJBBRDDDJF-ZCNNSNEGSA-N 1 1 448.589 0.774 20 0 ICADMO C[N@H+](Cc1ccc(N2C[C@H]3[C@H](C2)[C@@H](C(=O)N2CCOCC2)CCS3(=O)=O)nc1)C1CC1 ZINC001164798827 721605124 /nfs/dbraw/zinc/60/51/24/721605124.db2.gz JFQVSJBBRDDDJF-ZCNNSNEGSA-N 1 1 448.589 0.774 20 0 ICADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(N3CCC[C@H]3C(N)=O)ncn1)CCC2 ZINC001164812615 720242005 /nfs/dbraw/zinc/24/20/05/720242005.db2.gz HCIFUXSWAGIUNA-KRWDZBQOSA-N 1 1 440.552 0.738 20 0 ICADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(N3CCC[C@@H]3C(N)=O)ncn1)CCC2 ZINC001164812617 720242264 /nfs/dbraw/zinc/24/22/64/720242264.db2.gz HCIFUXSWAGIUNA-QGZVFWFLSA-N 1 1 440.552 0.738 20 0 ICADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1C(=O)N1CCNCC1)CCC2 ZINC001164812780 720229378 /nfs/dbraw/zinc/22/93/78/720229378.db2.gz IDTSFMHJUHFFBA-UHFFFAOYSA-N 1 1 439.564 0.934 20 0 ICADMO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1C(=O)N1CCNCC1)CCC2 ZINC001164812780 720229372 /nfs/dbraw/zinc/22/93/72/720229372.db2.gz IDTSFMHJUHFFBA-UHFFFAOYSA-N 1 1 439.564 0.934 20 0 ICADMO COc1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc(S(C)(=O)=O)n1 ZINC001164813442 720223853 /nfs/dbraw/zinc/22/38/53/720223853.db2.gz MFSBHULGLWDICD-UHFFFAOYSA-N 1 1 436.538 0.696 20 0 ICADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(S(N)(=O)=O)cc1C(=O)OC)C2 ZINC001164816602 720179839 /nfs/dbraw/zinc/17/98/39/720179839.db2.gz LVPJUZOJKUMXDK-FOIQADDNSA-N 1 1 438.550 0.700 20 0 ICADMO 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ZINC001164878807 721263726 /nfs/dbraw/zinc/26/37/26/721263726.db2.gz VNOAUMXSLHXNFG-UHFFFAOYSA-N 1 1 445.564 0.561 20 0 ICADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)ccc3S(N)(=O)=O)CC2)C1 ZINC001164879145 721289924 /nfs/dbraw/zinc/28/99/24/721289924.db2.gz VPPXGKXDQPPETJ-UHFFFAOYSA-N 1 1 445.973 0.389 20 0 ICADMO CCNC(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1 ZINC001164879682 721294485 /nfs/dbraw/zinc/29/44/85/721294485.db2.gz ZHCOBVHJSZOVAT-UHFFFAOYSA-N 1 1 438.960 0.887 20 0 ICADMO C[NH+]1CCN(c2nccc(N3CCO[C@H]4[C@H]3CC[C@H]4CNC(=O)c3ccnnc3)n2)CC1 ZINC001164880249 721323707 /nfs/dbraw/zinc/32/37/07/721323707.db2.gz WUHOOWOKKOVNIK-ILZDJORESA-N 1 1 438.536 0.432 20 0 ICADMO C[NH+]1CCN(c2nccc(N3CCO[C@@H]4[C@@H](CNC(=O)c5ccnnc5)CC[C@@H]43)n2)CC1 ZINC001164880251 721323853 /nfs/dbraw/zinc/32/38/53/721323853.db2.gz WUHOOWOKKOVNIK-IMFGXOCKSA-N 1 1 438.536 0.432 20 0 ICADMO C[NH+]1CCN(c2nccc(N3CCO[C@@H]4[C@H](CNC(=O)c5ccnnc5)CC[C@@H]43)n2)CC1 ZINC001164880253 721323787 /nfs/dbraw/zinc/32/37/87/721323787.db2.gz WUHOOWOKKOVNIK-XKGZKEIXSA-N 1 1 438.536 0.432 20 0 ICADMO C[NH+]1CCN(c2nccc(N3CCO[C@@H]4[C@@H](CNC(=O)c5ccnnc5)CC[C@H]43)n2)CC1 ZINC001164880256 721323867 /nfs/dbraw/zinc/32/38/67/721323867.db2.gz WUHOOWOKKOVNIK-YVWKXTFCSA-N 1 1 438.536 0.432 20 0 ICADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4OCC[C@@H]4[C@@H](C(=O)NCc4cccnc4)C3)n2)CC1 ZINC001164880885 721305157 /nfs/dbraw/zinc/30/51/57/721305157.db2.gz TTXHBOXAPIKXFQ-AABGKKOBSA-N 1 1 437.548 0.781 20 0 ICADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4OCC[C@@H]4[C@H](C(=O)NCc4cccnc4)C3)n2)CC1 ZINC001164880886 721305241 /nfs/dbraw/zinc/30/52/41/721305241.db2.gz TTXHBOXAPIKXFQ-AQNXPRMDSA-N 1 1 437.548 0.781 20 0 ICADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4OCC[C@H]4[C@@H](C(=O)NCc4cccnc4)C3)n2)CC1 ZINC001164880887 721304951 /nfs/dbraw/zinc/30/49/51/721304951.db2.gz TTXHBOXAPIKXFQ-UFYCRDLUSA-N 1 1 437.548 0.781 20 0 ICADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4OCC[C@H]4[C@H](C(=O)NCc4cccnc4)C3)n2)CC1 ZINC001164880888 721305076 /nfs/dbraw/zinc/30/50/76/721305076.db2.gz TTXHBOXAPIKXFQ-ZCNNSNEGSA-N 1 1 437.548 0.781 20 0 ICADMO C[NH+]1CCN(c2nccc(N3C[C@H]4COC[C@]4(COCC(=O)N4CCCC4)C3)n2)CC1 ZINC001164886918 721338169 /nfs/dbraw/zinc/33/81/69/721338169.db2.gz TYFLQHKGFLMGOB-AVRDEDQJSA-N 1 1 430.553 0.320 20 0 ICADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4COC[C@]4(COCC(=O)N4CCCC4)C3)n2)CC1 ZINC001164886919 721337888 /nfs/dbraw/zinc/33/78/88/721337888.db2.gz TYFLQHKGFLMGOB-GCJKJVERSA-N 1 1 430.553 0.320 20 0 ICADMO C[NH+]1CCN(c2nccc(N3C[C@H]4COC[C@@]4(COCC(=O)N4CCCC4)C3)n2)CC1 ZINC001164886920 721338144 /nfs/dbraw/zinc/33/81/44/721338144.db2.gz TYFLQHKGFLMGOB-PGRDOPGGSA-N 1 1 430.553 0.320 20 0 ICADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4COC[C@@]4(COCC(=O)N4CCCC4)C3)n2)CC1 ZINC001164886921 721338553 /nfs/dbraw/zinc/33/85/53/721338553.db2.gz TYFLQHKGFLMGOB-XMSQKQJNSA-N 1 1 430.553 0.320 20 0 ICADMO COc1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(S(C)(=O)=O)n1 ZINC001164889851 721412733 /nfs/dbraw/zinc/41/27/33/721412733.db2.gz RRKVMYMFXSMDAG-JXFKEZNVSA-N 1 1 439.582 0.654 20 0 ICADMO COc1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(S(C)(=O)=O)n1 ZINC001164889855 721412381 /nfs/dbraw/zinc/41/23/81/721412381.db2.gz RRKVMYMFXSMDAG-OXJNMPFZSA-N 1 1 439.582 0.654 20 0 ICADMO COc1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(S(C)(=O)=O)n1 ZINC001164889858 721412571 /nfs/dbraw/zinc/41/25/71/721412571.db2.gz RRKVMYMFXSMDAG-OXQOHEQNSA-N 1 1 439.582 0.654 20 0 ICADMO COc1cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(S(C)(=O)=O)n1 ZINC001164889861 721412762 /nfs/dbraw/zinc/41/27/62/721412762.db2.gz RRKVMYMFXSMDAG-UZLBHIALSA-N 1 1 439.582 0.654 20 0 ICADMO C[NH+]1CCN(c2nccc(N3CCO[C@]4(C3)COCCN(Cc3cccnc3)C4)n2)CC1 ZINC001164915006 721797754 /nfs/dbraw/zinc/79/77/54/721797754.db2.gz SXMXIHOFBQEPRE-HSZRJFAPSA-N 1 1 439.564 0.731 20 0 ICADMO C[NH+]1CCN(c2nccc(N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)n2)CC1 ZINC001164915007 721797613 /nfs/dbraw/zinc/79/76/13/721797613.db2.gz SXMXIHOFBQEPRE-QHCPKHFHSA-N 1 1 439.564 0.731 20 0 ICADMO c1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N(c2nc(N4CCOCC4)nc(N4CCOCC4)n2)C3)co1 ZINC001164928814 721899924 /nfs/dbraw/zinc/89/99/24/721899924.db2.gz QAONPOVMTNSDRN-MOPGFXCFSA-N 1 1 441.536 0.849 20 0 ICADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1cc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001164932186 721853389 /nfs/dbraw/zinc/85/33/89/721853389.db2.gz XAGKOJLGGPTVCX-MOPGFXCFSA-N 1 1 431.585 0.364 20 0 ICADMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1cc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001164932186 721853386 /nfs/dbraw/zinc/85/33/86/721853386.db2.gz XAGKOJLGGPTVCX-MOPGFXCFSA-N 1 1 431.585 0.364 20 0 ICADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1cc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001164932187 721853223 /nfs/dbraw/zinc/85/32/23/721853223.db2.gz XAGKOJLGGPTVCX-OALUTQOASA-N 1 1 431.585 0.364 20 0 ICADMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1cc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001164932187 721853221 /nfs/dbraw/zinc/85/32/21/721853221.db2.gz XAGKOJLGGPTVCX-OALUTQOASA-N 1 1 431.585 0.364 20 0 ICADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1cc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001164932188 721853489 /nfs/dbraw/zinc/85/34/89/721853489.db2.gz XAGKOJLGGPTVCX-RBUKOAKNSA-N 1 1 431.585 0.364 20 0 ICADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1cc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001164932188 721853485 /nfs/dbraw/zinc/85/34/85/721853485.db2.gz XAGKOJLGGPTVCX-RBUKOAKNSA-N 1 1 431.585 0.364 20 0 ICADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1cc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001164932189 721853326 /nfs/dbraw/zinc/85/33/26/721853326.db2.gz XAGKOJLGGPTVCX-RTBURBONSA-N 1 1 431.585 0.364 20 0 ICADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1cc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001164932189 721853325 /nfs/dbraw/zinc/85/33/25/721853325.db2.gz XAGKOJLGGPTVCX-RTBURBONSA-N 1 1 431.585 0.364 20 0 ICADMO Cn1ccc(CN2CCOCC23CCN(c2ccnc(N4CC[NH+](C)CC4)n2)CC3)n1 ZINC001164935042 721909325 /nfs/dbraw/zinc/90/93/25/721909325.db2.gz FAQPTWNIVQFPOA-UHFFFAOYSA-N 1 1 426.569 0.833 20 0 ICADMO C[NH+]1CCN(c2nccc(N3CC[C@]4(C[C@H](OCC(=O)N5CCCC5)CO4)C3)n2)CC1 ZINC001164938329 721919153 /nfs/dbraw/zinc/91/91/53/721919153.db2.gz LNCBITOJJCMULZ-AVRDEDQJSA-N 1 1 430.553 0.605 20 0 ICADMO C[NH+]1CCN(c2nccc(N3CC[C@]4(C[C@@H](OCC(=O)N5CCCC5)CO4)C3)n2)CC1 ZINC001164938330 721919129 /nfs/dbraw/zinc/91/91/29/721919129.db2.gz LNCBITOJJCMULZ-GCJKJVERSA-N 1 1 430.553 0.605 20 0 ICADMO C[NH+]1CCN(c2nccc(N3CC[C@@]4(C[C@H](OCC(=O)N5CCCC5)CO4)C3)n2)CC1 ZINC001164938331 721918913 /nfs/dbraw/zinc/91/89/13/721918913.db2.gz LNCBITOJJCMULZ-PGRDOPGGSA-N 1 1 430.553 0.605 20 0 ICADMO C[NH+]1CCN(c2nccc(N3CC[C@@]4(C[C@@H](OCC(=O)N5CCCC5)CO4)C3)n2)CC1 ZINC001164938332 721919027 /nfs/dbraw/zinc/91/90/27/721919027.db2.gz LNCBITOJJCMULZ-XMSQKQJNSA-N 1 1 430.553 0.605 20 0 ICADMO Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C[C@@H]21 ZINC001164946610 721954292 /nfs/dbraw/zinc/95/42/92/721954292.db2.gz OFOXMJBDBWKVOL-PMACEKPBSA-N 1 1 441.536 0.611 20 0 ICADMO Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C[C@H]21 ZINC001164946614 721954410 /nfs/dbraw/zinc/95/44/10/721954410.db2.gz OFOXMJBDBWKVOL-UXHICEINSA-N 1 1 441.536 0.611 20 0 ICADMO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C[C@@H]21 ZINC001164946617 721954335 /nfs/dbraw/zinc/95/43/35/721954335.db2.gz OFOXMJBDBWKVOL-VQTJNVASSA-N 1 1 441.536 0.611 20 0 ICADMO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C[C@H]21 ZINC001164946619 721954369 /nfs/dbraw/zinc/95/43/69/721954369.db2.gz OFOXMJBDBWKVOL-WOJBJXKFSA-N 1 1 441.536 0.611 20 0 ICADMO C[NH+]1CCN(c2nccc(N3C[C@H](NC(=O)c4cscn4)[C@@H]4OCCC[C@H]43)n2)CC1 ZINC001164951310 722001733 /nfs/dbraw/zinc/00/17/33/722001733.db2.gz LTRUIOQTIMRKDZ-LESCRADOSA-N 1 1 429.550 0.851 20 0 ICADMO C[NH+]1CCN(c2nccc(N3C[C@H](NC(=O)c4cscn4)[C@H]4OCCC[C@@H]43)n2)CC1 ZINC001164951311 722001822 /nfs/dbraw/zinc/00/18/22/722001822.db2.gz LTRUIOQTIMRKDZ-QILLFSRXSA-N 1 1 429.550 0.851 20 0 ICADMO C[NH+]1CCN(c2nccc(N3C[C@H](NC(=O)c4cscn4)[C@H]4OCCC[C@H]43)n2)CC1 ZINC001164951312 722001774 /nfs/dbraw/zinc/00/17/74/722001774.db2.gz LTRUIOQTIMRKDZ-YXJHDRRASA-N 1 1 429.550 0.851 20 0 ICADMO C[NH+]1CCN(c2nccc(N3C[C@H](NC(=O)c4cscn4)[C@@H]4OCCC[C@@H]43)n2)CC1 ZINC001164951313 722001628 /nfs/dbraw/zinc/00/16/28/722001628.db2.gz LTRUIOQTIMRKDZ-ZVZYQTTQSA-N 1 1 429.550 0.851 20 0 ICADMO C[NH+]1CCN(c2nccc(N3CCC4(C[C@@H](C(=O)N5CCOCC5)CO4)CC3)n2)CC1 ZINC001164957241 722045803 /nfs/dbraw/zinc/04/58/03/722045803.db2.gz IGTNRPTWDKEGPL-GOSISDBHSA-N 1 1 430.553 0.463 20 0 ICADMO C[NH+]1CCN(c2nccc(N3CCC4(C[C@H](C(=O)N5CCOCC5)CO4)CC3)n2)CC1 ZINC001164957245 722045731 /nfs/dbraw/zinc/04/57/31/722045731.db2.gz IGTNRPTWDKEGPL-SFHVURJKSA-N 1 1 430.553 0.463 20 0 ICADMO c1c(N2CCOCC2)nc(N2CCOCC2)nc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164964675 722068928 /nfs/dbraw/zinc/06/89/28/722068928.db2.gz ANYNSJORVVMZGZ-KDURUIRLSA-N 1 1 430.553 0.449 20 0 ICADMO CN(C)C(=O)CN1C[C@@H]2CCN(c3ccc(C[N@@H+](C)C4CC4)cn3)CC[C@@H]2S1(=O)=O ZINC001164970158 722087689 /nfs/dbraw/zinc/08/76/89/722087689.db2.gz CTRIQAXZJDFKKF-HKUYNNGSSA-N 1 1 435.594 0.994 20 0 ICADMO CN(C)C(=O)CN1C[C@H]2CCN(c3ccc(C[N@@H+](C)C4CC4)cn3)CC[C@H]2S1(=O)=O ZINC001164970160 722087698 /nfs/dbraw/zinc/08/76/98/722087698.db2.gz CTRIQAXZJDFKKF-IEBWSBKVSA-N 1 1 435.594 0.994 20 0 ICADMO CN(C)C(=O)CN1C[C@H]2CCN(c3ccc(C[N@@H+](C)C4CC4)cn3)CC[C@@H]2S1(=O)=O ZINC001164970162 722087643 /nfs/dbraw/zinc/08/76/43/722087643.db2.gz CTRIQAXZJDFKKF-MJGOQNOKSA-N 1 1 435.594 0.994 20 0 ICADMO CN(C)C(=O)CN1C[C@@H]2CCN(c3ccc(C[N@@H+](C)C4CC4)cn3)CC[C@H]2S1(=O)=O ZINC001164970164 722087684 /nfs/dbraw/zinc/08/76/84/722087684.db2.gz CTRIQAXZJDFKKF-PKOBYXMFSA-N 1 1 435.594 0.994 20 0 ICADMO Cn1ccnc1C(=O)N[C@H]1CN(c2ccnc(N3CC[NH+](C)CC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164982409 722093611 /nfs/dbraw/zinc/09/36/11/722093611.db2.gz QJZONSQFISGGDP-BQFCYCMXSA-N 1 1 426.525 0.128 20 0 ICADMO Cn1ccnc1C(=O)N[C@H]1CN(c2ccnc(N3CC[NH+](C)CC3)n2)[C@@H]2CCCO[C@H]21 ZINC001164982410 722093594 /nfs/dbraw/zinc/09/35/94/722093594.db2.gz QJZONSQFISGGDP-JZXOWHBKSA-N 1 1 426.525 0.128 20 0 ICADMO Cn1ccnc1C(=O)N[C@H]1CN(c2ccnc(N3CC[NH+](C)CC3)n2)[C@@H]2CCCO[C@@H]21 ZINC001164982411 722093544 /nfs/dbraw/zinc/09/35/44/722093544.db2.gz QJZONSQFISGGDP-LZLYRXPVSA-N 1 1 426.525 0.128 20 0 ICADMO Cn1ccnc1C(=O)N[C@H]1CN(c2ccnc(N3CC[NH+](C)CC3)n2)[C@H]2CCCO[C@H]12 ZINC001164982412 722093525 /nfs/dbraw/zinc/09/35/25/722093525.db2.gz QJZONSQFISGGDP-XYJFISCASA-N 1 1 426.525 0.128 20 0 ICADMO C[NH+]1CCN(c2nccc(-n3c([C@H]4COCCN4)nccc3=NCc3ccco3)n2)CC1 ZINC001164984806 722173030 /nfs/dbraw/zinc/17/30/30/722173030.db2.gz FXGFCCFQMLGCPK-GOSISDBHSA-N 1 1 436.520 0.769 20 0 ICADMO C[NH+]1CCN(c2nccc(-n3c([C@@H]4COCCN4)nccc3=NCc3ccco3)n2)CC1 ZINC001164984808 722172951 /nfs/dbraw/zinc/17/29/51/722172951.db2.gz FXGFCCFQMLGCPK-SFHVURJKSA-N 1 1 436.520 0.769 20 0 ICADMO C[NH+]1CCN(c2ccc(-n3c([C@H]4COCCN4)nccc3=NCc3ccco3)nn2)CC1 ZINC001164986757 722173196 /nfs/dbraw/zinc/17/31/96/722173196.db2.gz LNSHCJLCNFDVGU-GOSISDBHSA-N 1 1 436.520 0.769 20 0 ICADMO C[NH+]1CCN(c2ccc(-n3c([C@@H]4COCCN4)nccc3=NCc3ccco3)nn2)CC1 ZINC001164986759 722173221 /nfs/dbraw/zinc/17/32/21/722173221.db2.gz LNSHCJLCNFDVGU-SFHVURJKSA-N 1 1 436.520 0.769 20 0 ICADMO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(c1ccnc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164989230 722189059 /nfs/dbraw/zinc/18/90/59/722189059.db2.gz ATHPFHQBCLTUAH-UHFFFAOYSA-N 1 1 425.537 0.084 20 0 ICADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)nc(N4CCOCC4)n2)CC3)CC1 ZINC001164996058 722231372 /nfs/dbraw/zinc/23/13/72/722231372.db2.gz BYDGEYCCBTUDCM-UHFFFAOYSA-N 1 1 445.959 0.509 20 0 ICADMO CCNS(=O)(=O)c1cccnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164996375 722235284 /nfs/dbraw/zinc/23/52/84/722235284.db2.gz FBYCROJRXBHGPQ-UHFFFAOYSA-N 1 1 431.566 0.527 20 0 ICADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(C(=O)N4CCOCC4)cn2)CC3)CC1 ZINC001164996585 722229392 /nfs/dbraw/zinc/22/93/92/722229392.db2.gz KBYBGIAVBNYMAL-UHFFFAOYSA-N 1 1 437.548 0.701 20 0 ICADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncc(S(N)(=O)=O)cc2Cl)CC3)CC1 ZINC001164996622 722232250 /nfs/dbraw/zinc/23/22/50/722232250.db2.gz HGGBFVNGEMWFFX-UHFFFAOYSA-N 1 1 437.957 0.529 20 0 ICADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc(Cl)nc(S(C)(=O)=O)n2)CC3)CC1 ZINC001164997005 722229207 /nfs/dbraw/zinc/22/92/07/722229207.db2.gz LWXWCXAJYMKMEC-UHFFFAOYSA-N 1 1 437.957 0.681 20 0 ICADMO CCOC(=O)c1cnc(OC)nc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164997136 722232700 /nfs/dbraw/zinc/23/27/00/722232700.db2.gz LPEULHOIRPGYAL-UHFFFAOYSA-N 1 1 427.509 0.809 20 0 ICADMO CN1c2cnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nc2N2CCC[C@@H]2C1=O ZINC001164997149 722234076 /nfs/dbraw/zinc/23/40/76/722234076.db2.gz MGUZWAKZZURGGJ-GOSISDBHSA-N 1 1 449.563 0.569 20 0 ICADMO CN1c2cnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nc2N2CCC[C@H]2C1=O ZINC001164997150 722234110 /nfs/dbraw/zinc/23/41/10/722234110.db2.gz MGUZWAKZZURGGJ-SFHVURJKSA-N 1 1 449.563 0.569 20 0 ICADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(CN4C(=O)CCC4=O)cn2)CC3)CC1 ZINC001164997575 722235578 /nfs/dbraw/zinc/23/55/78/722235578.db2.gz QSRRYPYWLJNHBR-UHFFFAOYSA-N 1 1 435.532 0.878 20 0 ICADMO C[NH+]1CCN(c2ncnc3c2CCN(c2[nH+]cnc4[n-]cc(S(C)(=O)=O)c42)CC3)CC1 ZINC001164997624 722231793 /nfs/dbraw/zinc/23/17/93/722231793.db2.gz RAWBBSZSPHWNIF-UHFFFAOYSA-N 1 1 442.549 0.508 20 0 ICADMO COC(=O)c1ccc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1C(=O)OC ZINC001164997726 722230058 /nfs/dbraw/zinc/23/00/58/722230058.db2.gz UNBVRXRKZKGTCI-UHFFFAOYSA-N 1 1 440.504 0.802 20 0 ICADMO CCOC(=O)c1nnc(SC)nc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164997735 722231815 /nfs/dbraw/zinc/23/18/15/722231815.db2.gz VAQJBMGHGMCVJC-UHFFFAOYSA-N 1 1 444.565 0.917 20 0 ICADMO COc1cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc(S(C)(=O)=O)n1 ZINC001164997952 722233802 /nfs/dbraw/zinc/23/38/02/722233802.db2.gz ZAANIEUVJQZOBP-UHFFFAOYSA-N 1 1 433.538 0.036 20 0 ICADMO COC(=O)CSc1cncc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001165001089 722238834 /nfs/dbraw/zinc/23/88/34/722238834.db2.gz BUUPWNLBPGVFHO-UHFFFAOYSA-N 1 1 429.550 0.889 20 0 ICADMO COC(=O)c1cc2cnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nc2n1C ZINC001165001095 722236870 /nfs/dbraw/zinc/23/68/70/722236870.db2.gz CBPDFRKXSPBSGI-UHFFFAOYSA-N 1 1 436.520 0.902 20 0 ICADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(S(=O)(=O)NC4CC4)cn2)CC3)CC1 ZINC001165001160 722237825 /nfs/dbraw/zinc/23/78/25/722237825.db2.gz CZHNVAGAOSXCLP-UHFFFAOYSA-N 1 1 443.577 0.669 20 0 ICADMO C[NH+]1CCN(c2nccc(N3CCO[C@]4(C3)COCCN(c3ncccn3)C4)n2)CC1 ZINC001165001177 722247310 /nfs/dbraw/zinc/24/73/10/722247310.db2.gz NLMROMKLKGJVMW-NRFANRHFSA-N 1 1 426.525 0.131 20 0 ICADMO C[NH+]1CCN(c2nccc(N3CCO[C@@]4(C3)COCCN(c3ncccn3)C4)n2)CC1 ZINC001165001179 722247297 /nfs/dbraw/zinc/24/72/97/722247297.db2.gz NLMROMKLKGJVMW-OAQYLSRUSA-N 1 1 426.525 0.131 20 0 ICADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)nc4c2S(=O)(=O)CC4)CC3)CC1 ZINC001165001475 722239972 /nfs/dbraw/zinc/23/99/72/722239972.db2.gz GILDPFXQSZFYMH-UHFFFAOYSA-N 1 1 449.968 0.607 20 0 ICADMO CC(C)NS(=O)(=O)c1ccc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1 ZINC001165001798 722237635 /nfs/dbraw/zinc/23/76/35/722237635.db2.gz LWCQXTSANSODCM-UHFFFAOYSA-N 1 1 445.593 0.915 20 0 ICADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)ccc2S(N)(=O)=O)CC3)CC1 ZINC001165002227 722238915 /nfs/dbraw/zinc/23/89/15/722238915.db2.gz RIXIHMWJXFESQJ-UHFFFAOYSA-N 1 1 437.957 0.529 20 0 ICADMO CN(C)S(=O)(=O)c1ccc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1 ZINC001165002288 722236923 /nfs/dbraw/zinc/23/69/23/722236923.db2.gz STRWGBYMHUENCA-UHFFFAOYSA-N 1 1 431.566 0.479 20 0 ICADMO C[NH+]1CCN(c2nccc(N3Cc4nccn4C[C@H](CNC(=O)c4ccnnc4)C3)n2)CC1 ZINC001165006515 722241840 /nfs/dbraw/zinc/24/18/40/722241840.db2.gz ZEAWHCZOOCMPCW-KRWDZBQOSA-N 1 1 448.535 0.281 20 0 ICADMO C[NH+]1CCN(c2nccc(N3Cc4nccn4C[C@@H](CNC(=O)c4ccnnc4)C3)n2)CC1 ZINC001165006516 722241986 /nfs/dbraw/zinc/24/19/86/722241986.db2.gz ZEAWHCZOOCMPCW-QGZVFWFLSA-N 1 1 448.535 0.281 20 0 ICADMO Cn1cccc1C(=O)N1CCO[C@H]2CN(c3ccnc(N4CC[NH+](C)CC4)n3)C[C@@H]2C1 ZINC001165006599 722244562 /nfs/dbraw/zinc/24/45/62/722244562.db2.gz ZVKFKELCVKVXAJ-HKUYNNGSSA-N 1 1 425.537 0.544 20 0 ICADMO Cn1cccc1C(=O)N1CCO[C@@H]2CN(c3ccnc(N4CC[NH+](C)CC4)n3)C[C@H]2C1 ZINC001165006601 722244700 /nfs/dbraw/zinc/24/47/00/722244700.db2.gz ZVKFKELCVKVXAJ-IEBWSBKVSA-N 1 1 425.537 0.544 20 0 ICADMO Cn1cccc1C(=O)N1CCO[C@H]2CN(c3ccnc(N4CC[NH+](C)CC4)n3)C[C@H]2C1 ZINC001165006604 722244597 /nfs/dbraw/zinc/24/45/97/722244597.db2.gz ZVKFKELCVKVXAJ-MJGOQNOKSA-N 1 1 425.537 0.544 20 0 ICADMO Cn1cccc1C(=O)N1CCO[C@@H]2CN(c3ccnc(N4CC[NH+](C)CC4)n3)C[C@@H]2C1 ZINC001165006606 722244654 /nfs/dbraw/zinc/24/46/54/722244654.db2.gz ZVKFKELCVKVXAJ-PKOBYXMFSA-N 1 1 425.537 0.544 20 0 ICADMO CC(C)N(C)Cc1nnc2n1CCCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)C2 ZINC001165008928 721711507 /nfs/dbraw/zinc/71/15/07/721711507.db2.gz LQZRESZFSZFZQU-UHFFFAOYSA-N 1 1 427.557 0.758 20 0 ICADMO CN(C)C(=O)COCc1nnc2n1CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)C2 ZINC001165011408 721723602 /nfs/dbraw/zinc/72/36/02/721723602.db2.gz PXTXOIQSCMAVOI-UHFFFAOYSA-N 1 1 429.525 0.771 20 0 ICADMO C[NH+]1CCN(c2nccc(N3CCC4(CC3)CN(C(=O)c3cnccn3)CCO4)n2)CC1 ZINC001165013662 721760033 /nfs/dbraw/zinc/76/00/33/721760033.db2.gz PQYAOWNRTJEQCE-UHFFFAOYSA-N 1 1 438.536 0.530 20 0 ICADMO Cn1cc(C(=O)N[C@H]2CN(c3ccnc(N4CC[NH+](C)CC4)n3)[C@H]3CCCO[C@H]23)cn1 ZINC001165013853 721758224 /nfs/dbraw/zinc/75/82/24/721758224.db2.gz TYHNHPLEVLAFJB-JENIJYKNSA-N 1 1 426.525 0.128 20 0 ICADMO Cn1cc(C(=O)N[C@H]2CN(c3ccnc(N4CC[NH+](C)CC4)n3)[C@H]3CCCO[C@@H]23)cn1 ZINC001165013854 721758360 /nfs/dbraw/zinc/75/83/60/721758360.db2.gz TYHNHPLEVLAFJB-LNLFQRSKSA-N 1 1 426.525 0.128 20 0 ICADMO Cn1cc(C(=O)N[C@H]2CN(c3ccnc(N4CC[NH+](C)CC4)n3)[C@@H]3CCCO[C@H]32)cn1 ZINC001165013855 721758112 /nfs/dbraw/zinc/75/81/12/721758112.db2.gz TYHNHPLEVLAFJB-SCTDSRPQSA-N 1 1 426.525 0.128 20 0 ICADMO Cn1cc(C(=O)N[C@H]2CN(c3ccnc(N4CC[NH+](C)CC4)n3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001165013856 721758163 /nfs/dbraw/zinc/75/81/63/721758163.db2.gz TYHNHPLEVLAFJB-YQVWRLOYSA-N 1 1 426.525 0.128 20 0 ICADMO C[NH+]1CCN(c2nccc(N3CCC[C@@]4(CO[C@H](C(=O)N5CCOCC5)C4)C3)n2)CC1 ZINC001165022510 721777567 /nfs/dbraw/zinc/77/75/67/721777567.db2.gz RUDIKGDDUHQNNV-AVRDEDQJSA-N 1 1 430.553 0.463 20 0 ICADMO C[NH+]1CCN(c2nccc(N3CCC[C@@]4(CO[C@@H](C(=O)N5CCOCC5)C4)C3)n2)CC1 ZINC001165022513 721777772 /nfs/dbraw/zinc/77/77/72/721777772.db2.gz RUDIKGDDUHQNNV-GCJKJVERSA-N 1 1 430.553 0.463 20 0 ICADMO C[NH+]1CCN(c2nccc(N3CCC[C@]4(CO[C@H](C(=O)N5CCOCC5)C4)C3)n2)CC1 ZINC001165022516 721777496 /nfs/dbraw/zinc/77/74/96/721777496.db2.gz RUDIKGDDUHQNNV-PGRDOPGGSA-N 1 1 430.553 0.463 20 0 ICADMO C[NH+]1CCN(c2nccc(N3CCC[C@]4(CO[C@@H](C(=O)N5CCOCC5)C4)C3)n2)CC1 ZINC001165022519 721777762 /nfs/dbraw/zinc/77/77/62/721777762.db2.gz RUDIKGDDUHQNNV-XMSQKQJNSA-N 1 1 430.553 0.463 20 0 ICADMO COc1ccc(CN2C(=O)CO[C@H]3CN(c4ccnc(N5CC[NH+](C)CC5)n4)C[C@@H]32)cc1 ZINC001165025899 721796986 /nfs/dbraw/zinc/79/69/86/721796986.db2.gz PVGYDLYISDFZDA-PMACEKPBSA-N 1 1 438.532 0.853 20 0 ICADMO COc1ccc(CN2C(=O)CO[C@H]3CN(c4ccnc(N5CC[NH+](C)CC5)n4)C[C@H]32)cc1 ZINC001165025901 721797106 /nfs/dbraw/zinc/79/71/06/721797106.db2.gz PVGYDLYISDFZDA-UXHICEINSA-N 1 1 438.532 0.853 20 0 ICADMO COc1ccc(CN2C(=O)CO[C@@H]3CN(c4ccnc(N5CC[NH+](C)CC5)n4)C[C@@H]32)cc1 ZINC001165025903 721796782 /nfs/dbraw/zinc/79/67/82/721796782.db2.gz PVGYDLYISDFZDA-VQTJNVASSA-N 1 1 438.532 0.853 20 0 ICADMO COc1ccc(CN2C(=O)CO[C@@H]3CN(c4ccnc(N5CC[NH+](C)CC5)n4)C[C@H]32)cc1 ZINC001165025905 721797008 /nfs/dbraw/zinc/79/70/08/721797008.db2.gz PVGYDLYISDFZDA-WOJBJXKFSA-N 1 1 438.532 0.853 20 0 ICADMO C[C@H]1C(=O)NCCN1c1nc2cc(CN3CC[NH+](C)CC3)sc2c(N2CCOCC2)n1 ZINC001165036008 721883392 /nfs/dbraw/zinc/88/33/92/721883392.db2.gz HXDFVPJYHLEWDP-HNNXBMFYSA-N 1 1 445.593 0.600 20 0 ICADMO 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LDVBHLBHDSWRCH-FQEVSTJZSA-N 1 1 447.580 0.838 20 0 ICADMO COC(OC)C(=O)N1CCN(C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC001467724572 1069026645 /nfs/dbraw/zinc/02/66/45/1069026645.db2.gz LDVBHLBHDSWRCH-FQEVSTJZSA-N 1 1 447.580 0.838 20 0 ICADMO COC(OC)C(=O)N1CCN(C(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)CC1 ZINC001467724572 1069026631 /nfs/dbraw/zinc/02/66/31/1069026631.db2.gz LDVBHLBHDSWRCH-FQEVSTJZSA-N 1 1 447.580 0.838 20 0 ICADMO COC(OC)C(=O)N1CCN(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001467724573 1069027801 /nfs/dbraw/zinc/02/78/01/1069027801.db2.gz LDVBHLBHDSWRCH-HXUWFJFHSA-N 1 1 447.580 0.838 20 0 ICADMO COC(OC)C(=O)N1CCN(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001467724573 1069027787 /nfs/dbraw/zinc/02/77/87/1069027787.db2.gz LDVBHLBHDSWRCH-HXUWFJFHSA-N 1 1 447.580 0.838 20 0 ICADMO COC(OC)C(=O)N1CCN(C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)CC1 ZINC001467724573 1069027783 /nfs/dbraw/zinc/02/77/83/1069027783.db2.gz LDVBHLBHDSWRCH-HXUWFJFHSA-N 1 1 447.580 0.838 20 0 ICADMO COC(OC)C(=O)N1CCN(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC001467725097 1069027731 /nfs/dbraw/zinc/02/77/31/1069027731.db2.gz NXCVCQWZBCGKQL-UHFFFAOYSA-N 1 1 447.580 0.667 20 0 ICADMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)NCCS(=O)(=O)N1CCCC1 ZINC001467725553 1069027380 /nfs/dbraw/zinc/02/73/80/1069027380.db2.gz SHXRHZQHLLDNSS-UHFFFAOYSA-N 1 1 437.610 0.919 20 0 ICADMO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001467725670 1069027912 /nfs/dbraw/zinc/02/79/12/1069027912.db2.gz SUNTYSYDNDYGEF-GOSISDBHSA-N 1 1 438.536 0.938 20 0 ICADMO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC001467725670 1069027904 /nfs/dbraw/zinc/02/79/04/1069027904.db2.gz SUNTYSYDNDYGEF-GOSISDBHSA-N 1 1 438.536 0.938 20 0 ICADMO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC001467725670 1069027893 /nfs/dbraw/zinc/02/78/93/1069027893.db2.gz SUNTYSYDNDYGEF-GOSISDBHSA-N 1 1 438.536 0.938 20 0 ICADMO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001467725673 1069028041 /nfs/dbraw/zinc/02/80/41/1069028041.db2.gz SUNTYSYDNDYGEF-SFHVURJKSA-N 1 1 438.536 0.938 20 0 ICADMO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC001467725673 1069028022 /nfs/dbraw/zinc/02/80/22/1069028022.db2.gz SUNTYSYDNDYGEF-SFHVURJKSA-N 1 1 438.536 0.938 20 0 ICADMO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC001467725673 1069028007 /nfs/dbraw/zinc/02/80/07/1069028007.db2.gz SUNTYSYDNDYGEF-SFHVURJKSA-N 1 1 438.536 0.938 20 0 ICADMO CNC(=O)NC[C@H]1CN(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CCO1 ZINC001467725696 1069027574 /nfs/dbraw/zinc/02/75/74/1069027574.db2.gz TXKOHGIAJKSLFR-FQEVSTJZSA-N 1 1 432.569 0.534 20 0 ICADMO CNC(=O)NC[C@@H]1CN(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CCO1 ZINC001467725697 1069028102 /nfs/dbraw/zinc/02/81/02/1069028102.db2.gz TXKOHGIAJKSLFR-HXUWFJFHSA-N 1 1 432.569 0.534 20 0 ICADMO CC[NH+]1CCN(CCCCNC(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)CC1 ZINC001467742135 1069028551 /nfs/dbraw/zinc/02/85/51/1069028551.db2.gz HRJQQZLPLLTQGI-UHFFFAOYSA-N 1 1 430.553 0.955 20 0 ICADMO CN1CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[N@@H+](C)CC1 ZINC001467756436 1069029227 /nfs/dbraw/zinc/02/92/27/1069029227.db2.gz NXDIIHPSFSIEEE-UHFFFAOYSA-N 1 1 439.582 0.096 20 0 ICADMO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC[C@H]1CCCC[N@@H+]1CCO ZINC001467756703 1069029063 /nfs/dbraw/zinc/02/90/63/1069029063.db2.gz POCDNMRWOHDTNR-GOSISDBHSA-N 1 1 440.566 0.354 20 0 ICADMO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC001467756705 1069029336 /nfs/dbraw/zinc/02/93/36/1069029336.db2.gz POCDNMRWOHDTNR-SFHVURJKSA-N 1 1 440.566 0.354 20 0 ICADMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)NCc3ccccc3CS(=O)(=O)N3CCOCC3)[C@@H]2C1 ZINC001467768521 1069030574 /nfs/dbraw/zinc/03/05/74/1069030574.db2.gz YGVIGQSCTCOVAQ-DFQSSKMNSA-N 1 1 436.578 0.988 20 0 ICADMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NCc3ccccc3CS(=O)(=O)N3CCOCC3)[C@H]2C1 ZINC001467768523 1069030281 /nfs/dbraw/zinc/03/02/81/1069030281.db2.gz YGVIGQSCTCOVAQ-IHPCNDPISA-N 1 1 436.578 0.988 20 0 ICADMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NCc3ccccc3CS(=O)(=O)N3CCOCC3)[C@@H]2C1 ZINC001467768525 1069030467 /nfs/dbraw/zinc/03/04/67/1069030467.db2.gz YGVIGQSCTCOVAQ-SXLOBPIMSA-N 1 1 436.578 0.988 20 0 ICADMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)NCc3ccccc3CS(=O)(=O)N3CCOCC3)[C@H]2C1 ZINC001467768526 1069030707 /nfs/dbraw/zinc/03/07/07/1069030707.db2.gz YGVIGQSCTCOVAQ-YSIASYRMSA-N 1 1 436.578 0.988 20 0 ICADMO CC(C)(C)OC(=O)N1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001467795973 1069031017 /nfs/dbraw/zinc/03/10/17/1069031017.db2.gz VCUBKKMTQUTSQG-OIISXLGYSA-N 1 1 442.582 0.899 20 0 ICADMO CC(C)(C)OC(=O)N1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001467795975 1069031253 /nfs/dbraw/zinc/03/12/53/1069031253.db2.gz VCUBKKMTQUTSQG-UAGQMJEPSA-N 1 1 442.582 0.899 20 0 ICADMO O=C(C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001467807463 1069032992 /nfs/dbraw/zinc/03/29/92/1069032992.db2.gz IVOBVBRSPUFDGW-CVEARBPZSA-N 1 1 442.969 0.803 20 0 ICADMO O=C(C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001467807465 1069032738 /nfs/dbraw/zinc/03/27/38/1069032738.db2.gz IVOBVBRSPUFDGW-HOTGVXAUSA-N 1 1 442.969 0.803 20 0 ICADMO O=C(C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001467807467 1069032892 /nfs/dbraw/zinc/03/28/92/1069032892.db2.gz IVOBVBRSPUFDGW-HZPDHXFCSA-N 1 1 442.969 0.803 20 0 ICADMO O=C(C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001467807469 1069032957 /nfs/dbraw/zinc/03/29/57/1069032957.db2.gz IVOBVBRSPUFDGW-JKSUJKDBSA-N 1 1 442.969 0.803 20 0 ICADMO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)c3ccnc(N4CC[NH+](C)CC4)c3)C2=O)cc1 ZINC001467807471 1069032801 /nfs/dbraw/zinc/03/28/01/1069032801.db2.gz DEHRZNAANFGQIZ-JOCHJYFZSA-N 1 1 438.488 0.954 20 0 ICADMO COc1ccc([C@]2(C)NC(=O)N(NC(=O)c3ccnc(N4CC[NH+](C)CC4)c3)C2=O)cc1 ZINC001467807475 1069032446 /nfs/dbraw/zinc/03/24/46/1069032446.db2.gz DEHRZNAANFGQIZ-QFIPXVFZSA-N 1 1 438.488 0.954 20 0 ICADMO O=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001467808806 1069033517 /nfs/dbraw/zinc/03/35/17/1069033517.db2.gz YTYVEWZGNFRIGJ-KBPBESRZSA-N 1 1 432.340 0.395 20 0 ICADMO O=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001467808807 1069033748 /nfs/dbraw/zinc/03/37/48/1069033748.db2.gz YTYVEWZGNFRIGJ-KGLIPLIRSA-N 1 1 432.340 0.395 20 0 ICADMO O=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001467808808 1069033563 /nfs/dbraw/zinc/03/35/63/1069033563.db2.gz YTYVEWZGNFRIGJ-UONOGXRCSA-N 1 1 432.340 0.395 20 0 ICADMO O=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001467808809 1069033810 /nfs/dbraw/zinc/03/38/10/1069033810.db2.gz YTYVEWZGNFRIGJ-ZIAGYGMSSA-N 1 1 432.340 0.395 20 0 ICADMO COCC(COC)[NH+]1CCN(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC001467809923 1069033732 /nfs/dbraw/zinc/03/37/32/1069033732.db2.gz SCVKRRWVDQCQJY-UHFFFAOYSA-N 1 1 428.555 0.262 20 0 ICADMO Cc1ccc(S(=O)(=O)NCCNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)cc1 ZINC001467810079 1069033387 /nfs/dbraw/zinc/03/33/87/1069033387.db2.gz YJRCQGPNOHEZOQ-UHFFFAOYSA-N 1 1 440.566 0.454 20 0 ICADMO NS(=O)(=O)c1ccc(OCCSCC(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)cc1 ZINC001467810505 1069033710 /nfs/dbraw/zinc/03/37/10/1069033710.db2.gz AYMGURYLJAMZSF-CABCVRRESA-N 1 1 429.564 0.114 20 0 ICADMO NS(=O)(=O)c1ccc(OCCSCC(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)cc1 ZINC001467810511 1069033652 /nfs/dbraw/zinc/03/36/52/1069033652.db2.gz AYMGURYLJAMZSF-GJZGRUSLSA-N 1 1 429.564 0.114 20 0 ICADMO NS(=O)(=O)c1ccc(OCCSCC(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC001467810513 1069033783 /nfs/dbraw/zinc/03/37/83/1069033783.db2.gz AYMGURYLJAMZSF-HUUCEWRRSA-N 1 1 429.564 0.114 20 0 ICADMO NS(=O)(=O)c1ccc(OCCSCC(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC001467810515 1069033469 /nfs/dbraw/zinc/03/34/69/1069033469.db2.gz AYMGURYLJAMZSF-LSDHHAIUSA-N 1 1 429.564 0.114 20 0 ICADMO O=C(C1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001467810681 1069033609 /nfs/dbraw/zinc/03/36/09/1069033609.db2.gz DLJTUNROACHDCL-DLBZAZTESA-N 1 1 425.526 0.894 20 0 ICADMO O=C(C1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001467810682 1069033336 /nfs/dbraw/zinc/03/33/36/1069033336.db2.gz DLJTUNROACHDCL-IAGOWNOFSA-N 1 1 425.526 0.894 20 0 ICADMO O=C(C1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001467810683 1069034650 /nfs/dbraw/zinc/03/46/50/1069034650.db2.gz DLJTUNROACHDCL-IRXDYDNUSA-N 1 1 425.526 0.894 20 0 ICADMO O=C(C1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001467810684 1069034455 /nfs/dbraw/zinc/03/44/55/1069034455.db2.gz DLJTUNROACHDCL-SJORKVTESA-N 1 1 425.526 0.894 20 0 ICADMO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)C1=O ZINC001467812315 1069034497 /nfs/dbraw/zinc/03/44/97/1069034497.db2.gz ONLIKHCKVVBMJJ-DMPWYTOCSA-N 1 1 430.505 0.438 20 0 ICADMO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)C1=O ZINC001467812316 1069034276 /nfs/dbraw/zinc/03/42/76/1069034276.db2.gz ONLIKHCKVVBMJJ-MCFFVMPBSA-N 1 1 430.505 0.438 20 0 ICADMO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)C1=O ZINC001467812317 1069034107 /nfs/dbraw/zinc/03/41/07/1069034107.db2.gz ONLIKHCKVVBMJJ-VVBPWWLESA-N 1 1 430.505 0.438 20 0 ICADMO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)C1=O ZINC001467812320 1069034596 /nfs/dbraw/zinc/03/45/96/1069034596.db2.gz ONLIKHCKVVBMJJ-WCJKSRRJSA-N 1 1 430.505 0.438 20 0 ICADMO NC(=O)CC[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001467812339 1069034542 /nfs/dbraw/zinc/03/45/42/1069034542.db2.gz OXEGCUCRAMGUBF-AABGKKOBSA-N 1 1 430.549 0.427 20 0 ICADMO NC(=O)CC[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001467812340 1069034329 /nfs/dbraw/zinc/03/43/29/1069034329.db2.gz OXEGCUCRAMGUBF-AQNXPRMDSA-N 1 1 430.549 0.427 20 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ZINC001468874194 1069174797 /nfs/dbraw/zinc/17/47/97/1069174797.db2.gz ZDAGRVQXWNHUID-ZBFHGGJFSA-N 1 1 430.571 0.947 20 0 ICADMO CN(C)S(=O)(=O)N[C@@H](CNC(=O)[C@]1([NH+](C)C)COc2ccccc2C1)C1CCCC1 ZINC001468898401 1069179131 /nfs/dbraw/zinc/17/91/31/1069179131.db2.gz WADDFLKEPYMXKF-GHTZIAJQSA-N 1 1 438.594 0.993 20 0 ICADMO CN(C)S(=O)(=O)N[C@H](CNC(=O)[C@@]1([NH+](C)C)COc2ccccc2C1)C1CCCC1 ZINC001468898402 1069179077 /nfs/dbraw/zinc/17/90/77/1069179077.db2.gz WADDFLKEPYMXKF-NQIIRXRSSA-N 1 1 438.594 0.993 20 0 ICADMO CN(C)S(=O)(=O)N[C@@H](CNC(=O)[C@@]1([NH+](C)C)COc2ccccc2C1)C1CCCC1 ZINC001468898403 1069179010 /nfs/dbraw/zinc/17/90/10/1069179010.db2.gz WADDFLKEPYMXKF-RXVVDRJESA-N 1 1 438.594 0.993 20 0 ICADMO CN(C)S(=O)(=O)N[C@H](CNC(=O)[C@]1([NH+](C)C)COc2ccccc2C1)C1CCCC1 ZINC001468898404 1069178992 /nfs/dbraw/zinc/17/89/92/1069178992.db2.gz WADDFLKEPYMXKF-WIYYLYMNSA-N 1 1 438.594 0.993 20 0 ICADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001468910123 1069180011 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/nfs/dbraw/zinc/18/25/88/1069182588.db2.gz CQBRFZRTWZWNFI-OAHLLOKOSA-N 1 1 438.550 0.256 20 0 ICADMO COc1ccc(S(=O)(=O)NCCC(=O)N(C)C(C)(C)C[NH+]2CCOCC2)cc1OC ZINC001468930674 1069182627 /nfs/dbraw/zinc/18/26/27/1069182627.db2.gz JRGPXTXHPJRAPD-UHFFFAOYSA-N 1 1 443.566 0.941 20 0 ICADMO CC(=O)N1CCN(C(=O)CCNC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC001468945766 1069185373 /nfs/dbraw/zinc/18/53/73/1069185373.db2.gz DLMXMKQPWUGACB-FQEVSTJZSA-N 1 1 431.537 0.133 20 0 ICADMO CC(=O)N1CCN(C(=O)CCNC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC001468945767 1069185434 /nfs/dbraw/zinc/18/54/34/1069185434.db2.gz DLMXMKQPWUGACB-HXUWFJFHSA-N 1 1 431.537 0.133 20 0 ICADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC(CNC(=O)C(F)(F)F)C1 ZINC001468950308 1069186888 /nfs/dbraw/zinc/18/68/88/1069186888.db2.gz AUPYHGCSKNMWMD-AWEZNQCLSA-N 1 1 428.459 0.912 20 0 ICADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC(CNC(=O)C(F)(F)F)C1 ZINC001468950310 1069186737 /nfs/dbraw/zinc/18/67/37/1069186737.db2.gz 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GPFWASDUXGNOAR-ZACQAIPSSA-N 1 1 433.509 0.196 20 0 ICADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 ZINC001468951766 1069186660 /nfs/dbraw/zinc/18/66/60/1069186660.db2.gz OLTPNVGXZXSNPR-INIZCTEOSA-N 1 1 441.540 0.329 20 0 ICADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 ZINC001468951768 1069186768 /nfs/dbraw/zinc/18/67/68/1069186768.db2.gz OLTPNVGXZXSNPR-MRXNPFEDSA-N 1 1 441.540 0.329 20 0 ICADMO COCCNS(=O)(=O)c1cccc(CNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)c1 ZINC001468951843 1069186850 /nfs/dbraw/zinc/18/68/50/1069186850.db2.gz XGCYRVWCDJEMPR-MSOLQXFVSA-N 1 1 442.607 0.990 20 0 ICADMO COCCNS(=O)(=O)c1cccc(CNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c1 ZINC001468951844 1069186836 /nfs/dbraw/zinc/18/68/36/1069186836.db2.gz XGCYRVWCDJEMPR-QZTJIDSGSA-N 1 1 442.607 0.990 20 0 ICADMO COCCNS(=O)(=O)c1cccc(CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)c1 ZINC001468951846 1069186796 /nfs/dbraw/zinc/18/67/96/1069186796.db2.gz XGCYRVWCDJEMPR-ROUUACIJSA-N 1 1 442.607 0.990 20 0 ICADMO COCCNS(=O)(=O)c1cccc(CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)c1 ZINC001468951848 1069186690 /nfs/dbraw/zinc/18/66/90/1069186690.db2.gz XGCYRVWCDJEMPR-ZWKOTPCHSA-N 1 1 442.607 0.990 20 0 ICADMO COC(OC)C(=O)N1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC001468952031 1069186715 /nfs/dbraw/zinc/18/67/15/1069186715.db2.gz PVTIOTROETVLSB-KRWDZBQOSA-N 1 1 434.541 0.065 20 0 ICADMO COC(OC)C(=O)N1CCN(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC001468952032 1069186825 /nfs/dbraw/zinc/18/68/25/1069186825.db2.gz PVTIOTROETVLSB-QGZVFWFLSA-N 1 1 434.541 0.065 20 0 ICADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 ZINC001468955791 1069187585 /nfs/dbraw/zinc/18/75/85/1069187585.db2.gz POUSFZBBNRXIIZ-GFCCVEGCSA-N 1 1 434.356 0.838 20 0 ICADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 ZINC001468955791 1069187580 /nfs/dbraw/zinc/18/75/80/1069187580.db2.gz POUSFZBBNRXIIZ-GFCCVEGCSA-N 1 1 434.356 0.838 20 0 ICADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 ZINC001468955793 1069187431 /nfs/dbraw/zinc/18/74/31/1069187431.db2.gz POUSFZBBNRXIIZ-LBPRGKRZSA-N 1 1 434.356 0.838 20 0 ICADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 ZINC001468955793 1069187428 /nfs/dbraw/zinc/18/74/28/1069187428.db2.gz POUSFZBBNRXIIZ-LBPRGKRZSA-N 1 1 434.356 0.838 20 0 ICADMO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CC[N@@H+](CCO)C[C@H]3C)cc2)C[C@@H](C)O1 ZINC001468955960 1069187609 /nfs/dbraw/zinc/18/76/09/1069187609.db2.gz RRLHKTSXRRPJKX-BRWVUGGUSA-N 1 1 425.551 0.623 20 0 ICADMO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CC[N@H+](CCO)C[C@H]3C)cc2)C[C@@H](C)O1 ZINC001468955960 1069187602 /nfs/dbraw/zinc/18/76/02/1069187602.db2.gz RRLHKTSXRRPJKX-BRWVUGGUSA-N 1 1 425.551 0.623 20 0 ICADMO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CC[N@@H+](CCO)C[C@@H]3C)cc2)C[C@@H](C)O1 ZINC001468955961 1069187468 /nfs/dbraw/zinc/18/74/68/1069187468.db2.gz RRLHKTSXRRPJKX-GVDBMIGSSA-N 1 1 425.551 0.623 20 0 ICADMO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CC[N@H+](CCO)C[C@@H]3C)cc2)C[C@@H](C)O1 ZINC001468955961 1069187462 /nfs/dbraw/zinc/18/74/62/1069187462.db2.gz RRLHKTSXRRPJKX-GVDBMIGSSA-N 1 1 425.551 0.623 20 0 ICADMO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CC[N@@H+](CCO)C[C@@H]3C)cc2)C[C@H](C)O1 ZINC001468955964 1069187557 /nfs/dbraw/zinc/18/75/57/1069187557.db2.gz RRLHKTSXRRPJKX-YESZJQIVSA-N 1 1 425.551 0.623 20 0 ICADMO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CC[N@H+](CCO)C[C@@H]3C)cc2)C[C@H](C)O1 ZINC001468955964 1069187548 /nfs/dbraw/zinc/18/75/48/1069187548.db2.gz RRLHKTSXRRPJKX-YESZJQIVSA-N 1 1 425.551 0.623 20 0 ICADMO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CC[N@@H+](CCO)C[C@H]3C)cc2)C[C@H](C)O1 ZINC001468955967 1069187646 /nfs/dbraw/zinc/18/76/46/1069187646.db2.gz RRLHKTSXRRPJKX-ZACQAIPSSA-N 1 1 425.551 0.623 20 0 ICADMO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CC[N@H+](CCO)C[C@H]3C)cc2)C[C@H](C)O1 ZINC001468955967 1069187638 /nfs/dbraw/zinc/18/76/38/1069187638.db2.gz RRLHKTSXRRPJKX-ZACQAIPSSA-N 1 1 425.551 0.623 20 0 ICADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)CC1=O ZINC001468956782 1069187515 /nfs/dbraw/zinc/18/75/15/1069187515.db2.gz XIAJAXGCRRWXAZ-CHWSQXEVSA-N 1 1 426.564 0.885 20 0 ICADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)CC1=O ZINC001468956783 1069187388 /nfs/dbraw/zinc/18/73/88/1069187388.db2.gz XIAJAXGCRRWXAZ-OLZOCXBDSA-N 1 1 426.564 0.885 20 0 ICADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)CC1=O ZINC001468956784 1069187348 /nfs/dbraw/zinc/18/73/48/1069187348.db2.gz XIAJAXGCRRWXAZ-QWHCGFSZSA-N 1 1 426.564 0.885 20 0 ICADMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)CC1=O ZINC001468956785 1069188354 /nfs/dbraw/zinc/18/83/54/1069188354.db2.gz XIAJAXGCRRWXAZ-STQMWFEESA-N 1 1 426.564 0.885 20 0 ICADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC001468964971 1069188320 /nfs/dbraw/zinc/18/83/20/1069188320.db2.gz JUJUJNXOEGPQSJ-AVRDEDQJSA-N 1 1 431.537 0.124 20 0 ICADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC001468964975 1069188378 /nfs/dbraw/zinc/18/83/78/1069188378.db2.gz JUJUJNXOEGPQSJ-GCJKJVERSA-N 1 1 431.537 0.124 20 0 ICADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@]12COCCN1C(=O)COC2 ZINC001468964978 1069188389 /nfs/dbraw/zinc/18/83/89/1069188389.db2.gz JUJUJNXOEGPQSJ-PGRDOPGGSA-N 1 1 431.537 0.124 20 0 ICADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@]12COCCN1C(=O)COC2 ZINC001468964980 1069188148 /nfs/dbraw/zinc/18/81/48/1069188148.db2.gz JUJUJNXOEGPQSJ-XMSQKQJNSA-N 1 1 431.537 0.124 20 0 ICADMO CNS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001468967842 1069188132 /nfs/dbraw/zinc/18/81/32/1069188132.db2.gz KOHDUQGMXNOFSJ-AEFFLSMTSA-N 1 1 425.555 0.067 20 0 ICADMO CNS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001468967842 1069188127 /nfs/dbraw/zinc/18/81/27/1069188127.db2.gz KOHDUQGMXNOFSJ-AEFFLSMTSA-N 1 1 425.555 0.067 20 0 ICADMO CNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001468967844 1069188314 /nfs/dbraw/zinc/18/83/14/1069188314.db2.gz KOHDUQGMXNOFSJ-FUHWJXTLSA-N 1 1 425.555 0.067 20 0 ICADMO CNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001468967844 1069188311 /nfs/dbraw/zinc/18/83/11/1069188311.db2.gz KOHDUQGMXNOFSJ-FUHWJXTLSA-N 1 1 425.555 0.067 20 0 ICADMO CNS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001468967846 1069188287 /nfs/dbraw/zinc/18/82/87/1069188287.db2.gz KOHDUQGMXNOFSJ-SJLPKXTDSA-N 1 1 425.555 0.067 20 0 ICADMO CNS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001468967846 1069188282 /nfs/dbraw/zinc/18/82/82/1069188282.db2.gz KOHDUQGMXNOFSJ-SJLPKXTDSA-N 1 1 425.555 0.067 20 0 ICADMO CNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001468967849 1069188343 /nfs/dbraw/zinc/18/83/43/1069188343.db2.gz KOHDUQGMXNOFSJ-WMZOPIPTSA-N 1 1 425.555 0.067 20 0 ICADMO CNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001468967849 1069188339 /nfs/dbraw/zinc/18/83/39/1069188339.db2.gz KOHDUQGMXNOFSJ-WMZOPIPTSA-N 1 1 425.555 0.067 20 0 ICADMO CC(=O)NCC(=O)N1CCCN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001468968870 1069188326 /nfs/dbraw/zinc/18/83/26/1069188326.db2.gz WVHFHDGHIBNHQP-GHTZIAJQSA-N 1 1 445.564 0.656 20 0 ICADMO CC(=O)NCC(=O)N1CCCN(C(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001468968870 1069188324 /nfs/dbraw/zinc/18/83/24/1069188324.db2.gz WVHFHDGHIBNHQP-GHTZIAJQSA-N 1 1 445.564 0.656 20 0 ICADMO CC(=O)NCC(=O)N1CCCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001468968872 1069188196 /nfs/dbraw/zinc/18/81/96/1069188196.db2.gz WVHFHDGHIBNHQP-NQIIRXRSSA-N 1 1 445.564 0.656 20 0 ICADMO CC(=O)NCC(=O)N1CCCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001468968872 1069188191 /nfs/dbraw/zinc/18/81/91/1069188191.db2.gz WVHFHDGHIBNHQP-NQIIRXRSSA-N 1 1 445.564 0.656 20 0 ICADMO CC(=O)NCC(=O)N1CCCN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001468968874 1069188367 /nfs/dbraw/zinc/18/83/67/1069188367.db2.gz WVHFHDGHIBNHQP-RXVVDRJESA-N 1 1 445.564 0.656 20 0 ICADMO CC(=O)NCC(=O)N1CCCN(C(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001468968874 1069188364 /nfs/dbraw/zinc/18/83/64/1069188364.db2.gz WVHFHDGHIBNHQP-RXVVDRJESA-N 1 1 445.564 0.656 20 0 ICADMO CC(=O)NCC(=O)N1CCCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001468968876 1069188176 /nfs/dbraw/zinc/18/81/76/1069188176.db2.gz WVHFHDGHIBNHQP-WIYYLYMNSA-N 1 1 445.564 0.656 20 0 ICADMO CC(=O)NCC(=O)N1CCCN(C(=O)N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001468968876 1069188171 /nfs/dbraw/zinc/18/81/71/1069188171.db2.gz WVHFHDGHIBNHQP-WIYYLYMNSA-N 1 1 445.564 0.656 20 0 ICADMO COCC(COC)[NH+]1CCN(C(=O)c2ccc(Br)cc2-n2cnnn2)CC1 ZINC001468983927 1069190401 /nfs/dbraw/zinc/19/04/01/1069190401.db2.gz CWSRQLMXDGTLAV-UHFFFAOYSA-N 1 1 439.314 0.844 20 0 ICADMO COCC(COC)[NH+]1CCN(C(=O)CCNS(=O)(=O)c2cc(C)ccc2C)CC1 ZINC001468988262 1069191198 /nfs/dbraw/zinc/19/11/98/1069191198.db2.gz XAPHFUJMCJGYJQ-UHFFFAOYSA-N 1 1 427.567 0.777 20 0 ICADMO COCC[N@H+]1CC[C@@H](NC(=O)N2CCC(n3nncc3I)CC2)C1 ZINC001468991771 1069191145 /nfs/dbraw/zinc/19/11/45/1069191145.db2.gz HOXLFZXKGZPICR-GFCCVEGCSA-N 1 1 448.309 0.950 20 0 ICADMO COCC[N@H+]1CC[C@H](NC(=O)N2CCC(n3nncc3I)CC2)C1 ZINC001468991772 1069191203 /nfs/dbraw/zinc/19/12/03/1069191203.db2.gz HOXLFZXKGZPICR-LBPRGKRZSA-N 1 1 448.309 0.950 20 0 ICADMO COCC[N@H+]1CC[C@H](NC(=O)NCc2ccc(CS(=O)(=O)CC(=O)OC)cc2)C1 ZINC001468992093 1069191176 /nfs/dbraw/zinc/19/11/76/1069191176.db2.gz KOJOXQZLYBHENA-KRWDZBQOSA-N 1 1 427.523 0.294 20 0 ICADMO COCC[N@H+]1CC[C@@H](NC(=O)NCc2ccc(CS(=O)(=O)CC(=O)OC)cc2)C1 ZINC001468992095 1069191253 /nfs/dbraw/zinc/19/12/53/1069191253.db2.gz KOJOXQZLYBHENA-QGZVFWFLSA-N 1 1 427.523 0.294 20 0 ICADMO COCC[N@H+]1CC[C@@H](NC(=O)N2C[C@@H](C(=O)OC)C3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001468992397 1069191039 /nfs/dbraw/zinc/19/10/39/1069191039.db2.gz NQVALKZYIYXBAX-CVEARBPZSA-N 1 1 440.541 0.759 20 0 ICADMO COCC[N@H+]1CC[C@H](NC(=O)N2C[C@@H](C(=O)OC)C3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001468992398 1069191806 /nfs/dbraw/zinc/19/18/06/1069191806.db2.gz NQVALKZYIYXBAX-HOTGVXAUSA-N 1 1 440.541 0.759 20 0 ICADMO COCC[N@H+]1CC[C@@H](NC(=O)N2C[C@H](C(=O)OC)C3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001468992400 1069191786 /nfs/dbraw/zinc/19/17/86/1069191786.db2.gz NQVALKZYIYXBAX-HZPDHXFCSA-N 1 1 440.541 0.759 20 0 ICADMO COCC[N@H+]1CC[C@H](NC(=O)N2C[C@H](C(=O)OC)C3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001468992402 1069191837 /nfs/dbraw/zinc/19/18/37/1069191837.db2.gz NQVALKZYIYXBAX-JKSUJKDBSA-N 1 1 440.541 0.759 20 0 ICADMO C[C@H](CNC(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O)C[NH+]1CCOCC1 ZINC001468994780 1069191768 /nfs/dbraw/zinc/19/17/68/1069191768.db2.gz KWHHCNDULLFCNU-BXUZGUMPSA-N 1 1 426.315 0.975 20 0 ICADMO C[C@@H](CNC(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O)C[NH+]1CCOCC1 ZINC001468994781 1069191936 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CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@]3(CO)COCC[NH2+]3)cc2)cc1 ZINC001471177423 1069397864 /nfs/dbraw/zinc/39/78/64/1069397864.db2.gz CKQUGDQYQJAEAX-NRFANRHFSA-N 1 1 449.529 0.967 20 0 ICADMO CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@@]3(CO)COCC[NH2+]3)cc2)cc1 ZINC001471177424 1069397757 /nfs/dbraw/zinc/39/77/57/1069397757.db2.gz CKQUGDQYQJAEAX-OAQYLSRUSA-N 1 1 449.529 0.967 20 0 ICADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC001471177521 1069398052 /nfs/dbraw/zinc/39/80/52/1069398052.db2.gz DSFYYCHWIPZOEB-IBGZPJMESA-N 1 1 439.559 0.350 20 0 ICADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC001471177523 1069397785 /nfs/dbraw/zinc/39/77/85/1069397785.db2.gz DSFYYCHWIPZOEB-LJQANCHMSA-N 1 1 439.559 0.350 20 0 ICADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)C1(NS(=O)(=O)c2cccc(F)c2)CCCCC1 ZINC001471178347 1069397829 /nfs/dbraw/zinc/39/78/29/1069397829.db2.gz OQAYTJKPDKKXRW-GOSISDBHSA-N 1 1 429.514 0.274 20 0 ICADMO O=C(NC[C@]1(CO)COCC[NH2+]1)C1(NS(=O)(=O)c2cccc(F)c2)CCCCC1 ZINC001471178349 1069397933 /nfs/dbraw/zinc/39/79/33/1069397933.db2.gz OQAYTJKPDKKXRW-SFHVURJKSA-N 1 1 429.514 0.274 20 0 ICADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001471178742 1069398411 /nfs/dbraw/zinc/39/84/11/1069398411.db2.gz SCGGFYJQARPDAO-JLTOFOAXSA-N 1 1 427.448 0.607 20 0 ICADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001471178745 1069398428 /nfs/dbraw/zinc/39/84/28/1069398428.db2.gz SCGGFYJQARPDAO-VBKZILBWSA-N 1 1 427.448 0.607 20 0 ICADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001471178747 1069398508 /nfs/dbraw/zinc/39/85/08/1069398508.db2.gz SCGGFYJQARPDAO-VLIAUNLRSA-N 1 1 427.448 0.607 20 0 ICADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001471178749 1069398766 /nfs/dbraw/zinc/39/87/66/1069398766.db2.gz SCGGFYJQARPDAO-XOBRGWDASA-N 1 1 427.448 0.607 20 0 ICADMO CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)NC[C@@]2(CO)COCC[NH2+]2)cc1 ZINC001471179307 1069398683 /nfs/dbraw/zinc/39/86/83/1069398683.db2.gz ZAKJZMPFEHIXFP-JOCHJYFZSA-N 1 1 437.537 0.990 20 0 ICADMO CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)NC[C@]2(CO)COCC[NH2+]2)cc1 ZINC001471179308 1069398460 /nfs/dbraw/zinc/39/84/60/1069398460.db2.gz ZAKJZMPFEHIXFP-QFIPXVFZSA-N 1 1 437.537 0.990 20 0 ICADMO O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001471179505 1069398740 /nfs/dbraw/zinc/39/87/40/1069398740.db2.gz WSYVJOATWRGVTH-GOSISDBHSA-N 1 1 440.294 0.292 20 0 ICADMO O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001471179518 1069398659 /nfs/dbraw/zinc/39/86/59/1069398659.db2.gz WSYVJOATWRGVTH-SFHVURJKSA-N 1 1 440.294 0.292 20 0 ICADMO COc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@]3(CO)COCC[NH2+]3)ccc2C)cc1 ZINC001471179568 1069398552 /nfs/dbraw/zinc/39/85/52/1069398552.db2.gz XEPUTBYHSHRFCF-NRFANRHFSA-N 1 1 449.529 0.885 20 0 ICADMO COc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@@]3(CO)COCC[NH2+]3)ccc2C)cc1 ZINC001471179569 1069398353 /nfs/dbraw/zinc/39/83/53/1069398353.db2.gz XEPUTBYHSHRFCF-OAQYLSRUSA-N 1 1 449.529 0.885 20 0 ICADMO COC(=O)C(C)(C)N1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001471181356 1069399153 /nfs/dbraw/zinc/39/91/53/1069399153.db2.gz CZXQCDNZEWQCHL-GOSISDBHSA-N 1 1 425.574 0.062 20 0 ICADMO COC(=O)C(C)(C)N1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001471181357 1069398997 /nfs/dbraw/zinc/39/89/97/1069398997.db2.gz CZXQCDNZEWQCHL-SFHVURJKSA-N 1 1 425.574 0.062 20 0 ICADMO Cc1cccc([C@@H]2C(=O)NCCN2C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1 ZINC001471181592 1069400098 /nfs/dbraw/zinc/40/00/98/1069400098.db2.gz GPSVCYTWTDGSJV-LEWJYISDSA-N 1 1 429.565 0.974 20 0 ICADMO Cc1cccc([C@@H]2C(=O)NCCN2C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1 ZINC001471181593 1069399712 /nfs/dbraw/zinc/39/97/12/1069399712.db2.gz GPSVCYTWTDGSJV-NHCUHLMSSA-N 1 1 429.565 0.974 20 0 ICADMO Cc1cccc([C@H]2C(=O)NCCN2C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1 ZINC001471181594 1069399869 /nfs/dbraw/zinc/39/98/69/1069399869.db2.gz GPSVCYTWTDGSJV-RTWAWAEBSA-N 1 1 429.565 0.974 20 0 ICADMO Cc1cccc([C@H]2C(=O)NCCN2C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1 ZINC001471181595 1069400023 /nfs/dbraw/zinc/40/00/23/1069400023.db2.gz GPSVCYTWTDGSJV-SFTDATJTSA-N 1 1 429.565 0.974 20 0 ICADMO O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CCN(CCc2cnccn2)CC1 ZINC001471181966 1069399647 /nfs/dbraw/zinc/39/96/47/1069399647.db2.gz LLUYPFCRSZYDNG-NRFANRHFSA-N 1 1 431.585 0.143 20 0 ICADMO O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CCN(CCc2cnccn2)CC1 ZINC001471181967 1069399921 /nfs/dbraw/zinc/39/99/21/1069399921.db2.gz LLUYPFCRSZYDNG-OAQYLSRUSA-N 1 1 431.585 0.143 20 0 ICADMO O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC001471182381 1069399746 /nfs/dbraw/zinc/39/97/46/1069399746.db2.gz MAHFGEUKLNKVLT-AWEZNQCLSA-N 1 1 431.463 0.619 20 0 ICADMO O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC001471182385 1069399612 /nfs/dbraw/zinc/39/96/12/1069399612.db2.gz MAHFGEUKLNKVLT-CQSZACIVSA-N 1 1 431.463 0.619 20 0 ICADMO O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC001471182445 1069399786 /nfs/dbraw/zinc/39/97/86/1069399786.db2.gz NHXOAIYWAMZFBW-FQEVSTJZSA-N 1 1 436.601 0.716 20 0 ICADMO O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC001471182448 1069399826 /nfs/dbraw/zinc/39/98/26/1069399826.db2.gz NHXOAIYWAMZFBW-HXUWFJFHSA-N 1 1 436.601 0.716 20 0 ICADMO CN(C(=O)NCc1nnc2c(=O)n(C)ccn12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001471183181 1069400566 /nfs/dbraw/zinc/40/05/66/1069400566.db2.gz BLNHOJGZVIDMEM-MSOLQXFVSA-N 1 1 444.584 0.907 20 0 ICADMO CN(C(=O)NCc1nnc2c(=O)n(C)ccn12)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001471183186 1069400524 /nfs/dbraw/zinc/40/05/24/1069400524.db2.gz BLNHOJGZVIDMEM-QZTJIDSGSA-N 1 1 444.584 0.907 20 0 ICADMO CN(C(=O)NCc1nnc2c(=O)n(C)ccn12)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001471183188 1069400472 /nfs/dbraw/zinc/40/04/72/1069400472.db2.gz BLNHOJGZVIDMEM-ROUUACIJSA-N 1 1 444.584 0.907 20 0 ICADMO CN(C(=O)NCc1nnc2c(=O)n(C)ccn12)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001471183190 1069400607 /nfs/dbraw/zinc/40/06/07/1069400607.db2.gz BLNHOJGZVIDMEM-ZWKOTPCHSA-N 1 1 444.584 0.907 20 0 ICADMO CC(C)(C)NS(=O)(=O)C1(CNC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC001471199784 1069402504 /nfs/dbraw/zinc/40/25/04/1069402504.db2.gz JAWSHUFCGULFLB-GOSISDBHSA-N 1 1 438.594 0.955 20 0 ICADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)NCc2nnc3n2CCNC3=O)CCOCC1 ZINC001471204495 1069403022 /nfs/dbraw/zinc/40/30/22/1069403022.db2.gz PXPMHMRVDCDUBG-UHFFFAOYSA-N 1 1 427.509 0.502 20 0 ICADMO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)c2)CC1 ZINC001471214694 1069403820 /nfs/dbraw/zinc/40/38/20/1069403820.db2.gz KXVPJAYSCRLIQS-AZUAARDMSA-N 1 1 434.562 0.706 20 0 ICADMO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CC[C@H]4[C@@H](CC[N@@H+]4C)C3)c2)CC1 ZINC001471214700 1069403837 /nfs/dbraw/zinc/40/38/37/1069403837.db2.gz KXVPJAYSCRLIQS-ICSRJNTNSA-N 1 1 434.562 0.706 20 0 ICADMO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CC[C@H]4[C@H](CC[N@@H+]4C)C3)c2)CC1 ZINC001471214705 1069403651 /nfs/dbraw/zinc/40/36/51/1069403651.db2.gz KXVPJAYSCRLIQS-QUCCMNQESA-N 1 1 434.562 0.706 20 0 ICADMO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)c2)CC1 ZINC001471214710 1069403740 /nfs/dbraw/zinc/40/37/40/1069403740.db2.gz KXVPJAYSCRLIQS-UYAOXDASSA-N 1 1 434.562 0.706 20 0 ICADMO C[NH+]1CCN(C2CCN(C(=O)c3cc(S(N)(=O)=O)ccc3Br)CC2)CC1 ZINC001471233551 1069405689 /nfs/dbraw/zinc/40/56/89/1069405689.db2.gz ARZZQAKDKDRGGT-UHFFFAOYSA-N 1 1 445.383 0.949 20 0 ICADMO C[NH+]1CCN(C2CCN(C(=O)c3cn(C4CN(C(=O)OC(C)(C)C)C4)nn3)CC2)CC1 ZINC001471235042 1069405792 /nfs/dbraw/zinc/40/57/92/1069405792.db2.gz NXUVUYGFGFKPAR-UHFFFAOYSA-N 1 1 433.557 0.922 20 0 ICADMO Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 ZINC001471250364 1069406303 /nfs/dbraw/zinc/40/63/03/1069406303.db2.gz INFZNVBADXKWKN-IBGZPJMESA-N 1 1 445.541 0.885 20 0 ICADMO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 ZINC001471250364 1069406299 /nfs/dbraw/zinc/40/62/99/1069406299.db2.gz INFZNVBADXKWKN-IBGZPJMESA-N 1 1 445.541 0.885 20 0 ICADMO Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 ZINC001471250370 1069406333 /nfs/dbraw/zinc/40/63/33/1069406333.db2.gz INFZNVBADXKWKN-LJQANCHMSA-N 1 1 445.541 0.885 20 0 ICADMO Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 ZINC001471250370 1069406326 /nfs/dbraw/zinc/40/63/26/1069406326.db2.gz INFZNVBADXKWKN-LJQANCHMSA-N 1 1 445.541 0.885 20 0 ICADMO Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2[C@@H](O)C(=O)N(C)[C@@H]2c2cnn(C)c2)C1 ZINC001471253208 1069406363 /nfs/dbraw/zinc/40/63/63/1069406363.db2.gz XJESXDSPUAUPQT-DOIPELPJSA-N 1 1 441.532 0.236 20 0 ICADMO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2[C@@H](O)C(=O)N(C)[C@@H]2c2cnn(C)c2)C1 ZINC001471253208 1069406360 /nfs/dbraw/zinc/40/63/60/1069406360.db2.gz XJESXDSPUAUPQT-DOIPELPJSA-N 1 1 441.532 0.236 20 0 ICADMO Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@H]2[C@@H](O)C(=O)N(C)[C@@H]2c2cnn(C)c2)C1 ZINC001471253216 1069406353 /nfs/dbraw/zinc/40/63/53/1069406353.db2.gz XJESXDSPUAUPQT-XRXFAXGQSA-N 1 1 441.532 0.236 20 0 ICADMO Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2[C@@H](O)C(=O)N(C)[C@@H]2c2cnn(C)c2)C1 ZINC001471253216 1069406351 /nfs/dbraw/zinc/40/63/51/1069406351.db2.gz XJESXDSPUAUPQT-XRXFAXGQSA-N 1 1 441.532 0.236 20 0 ICADMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCC(=O)NCC(=O)NCc1ccccc1 ZINC001471304177 1069412445 /nfs/dbraw/zinc/41/24/45/1069412445.db2.gz MLDFZUNJAICFAY-UHFFFAOYSA-N 1 1 433.553 0.419 20 0 ICADMO CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001471304824 1069413107 /nfs/dbraw/zinc/41/31/07/1069413107.db2.gz DKQDWEZOABAEKG-IBGZPJMESA-N 1 1 431.537 0.267 20 0 ICADMO CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001471304825 1069413200 /nfs/dbraw/zinc/41/32/00/1069413200.db2.gz DKQDWEZOABAEKG-LJQANCHMSA-N 1 1 431.537 0.267 20 0 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CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCc2cn(C(C)(C)C)c(=O)[nH]c2=O)CC1 ZINC001471310772 1069414366 /nfs/dbraw/zinc/41/43/66/1069414366.db2.gz HZKHDZOJKMAAHR-UHFFFAOYSA-N 1 1 436.557 0.790 20 0 ICADMO COC(=O)CC[N@H+]1CCN(C(=O)NCc2ccc(CS(=O)(=O)N(C)C)cc2)[C@@H](C)C1 ZINC001471311346 1069414959 /nfs/dbraw/zinc/41/49/59/1069414959.db2.gz UTIIABCUAOXOLX-INIZCTEOSA-N 1 1 440.566 0.857 20 0 ICADMO COC(=O)CC[N@@H+]1CCN(C(=O)NCc2ccc(CS(=O)(=O)N(C)C)cc2)[C@@H](C)C1 ZINC001471311346 1069414954 /nfs/dbraw/zinc/41/49/54/1069414954.db2.gz UTIIABCUAOXOLX-INIZCTEOSA-N 1 1 440.566 0.857 20 0 ICADMO COC(=O)CC[N@H+]1CCN(C(=O)NCc2ccc(CS(=O)(=O)N(C)C)cc2)[C@H](C)C1 ZINC001471311347 1069414872 /nfs/dbraw/zinc/41/48/72/1069414872.db2.gz UTIIABCUAOXOLX-MRXNPFEDSA-N 1 1 440.566 0.857 20 0 ICADMO COC(=O)CC[N@@H+]1CCN(C(=O)NCc2ccc(CS(=O)(=O)N(C)C)cc2)[C@H](C)C1 ZINC001471311347 1069414869 /nfs/dbraw/zinc/41/48/69/1069414869.db2.gz UTIIABCUAOXOLX-MRXNPFEDSA-N 1 1 440.566 0.857 20 0 ICADMO 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CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cnc3c(c2)NC(=O)CO3)CC1 ZINC001472364455 1069556121 /nfs/dbraw/zinc/55/61/21/1069556121.db2.gz UOQVBBALSQRUTM-IBGZPJMESA-N 1 1 437.500 0.918 20 0 ICADMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cnc3c(c2)NC(=O)CO3)CC1 ZINC001472364456 1069556066 /nfs/dbraw/zinc/55/60/66/1069556066.db2.gz UOQVBBALSQRUTM-LJQANCHMSA-N 1 1 437.500 0.918 20 0 ICADMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCc3nnnn3CC2)CC1 ZINC001472364592 1069555889 /nfs/dbraw/zinc/55/58/89/1069555889.db2.gz XXJXUQQJHIEPJR-MOPGFXCFSA-N 1 1 425.537 0.517 20 0 ICADMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCc3nnnn3CC2)CC1 ZINC001472364593 1069556034 /nfs/dbraw/zinc/55/60/34/1069556034.db2.gz XXJXUQQJHIEPJR-OALUTQOASA-N 1 1 425.537 0.517 20 0 ICADMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CCc3nnnn3CC2)CC1 ZINC001472364594 1069556093 /nfs/dbraw/zinc/55/60/93/1069556093.db2.gz XXJXUQQJHIEPJR-RBUKOAKNSA-N 1 1 425.537 0.517 20 0 ICADMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCc3nnnn3CC2)CC1 ZINC001472364595 1069555864 /nfs/dbraw/zinc/55/58/64/1069555864.db2.gz XXJXUQQJHIEPJR-RTBURBONSA-N 1 1 425.537 0.517 20 0 ICADMO CC(C)Cc1nnc(NC(=O)CCC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)s1 ZINC001472408758 1069560683 /nfs/dbraw/zinc/56/06/83/1069560683.db2.gz ANTXKRUFGWQOEZ-IFXJQAMLSA-N 1 1 425.555 0.797 20 0 ICADMO O=C(COc1ccccc1)N1CCC(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)CC1 ZINC001472408818 1069560697 /nfs/dbraw/zinc/56/06/97/1069560697.db2.gz DONHGCOZWLVATL-WMZHIEFXSA-N 1 1 431.533 0.646 20 0 ICADMO CN(CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)C(=O)c1ccc(Br)o1 ZINC001472408853 1069560780 /nfs/dbraw/zinc/56/07/80/1069560780.db2.gz GBBYUKPFTXFQNK-YVEFUNNKSA-N 1 1 430.299 0.456 20 0 ICADMO Cc1ccc(S(=O)(=O)n2ccc(C(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@H+]43)c2)cc1 ZINC001472408906 1069560654 /nfs/dbraw/zinc/56/06/54/1069560654.db2.gz HGRYBAGKTUUTGU-GHTZIAJQSA-N 1 1 433.530 0.989 20 0 ICADMO 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O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC001472409630 1069561221 /nfs/dbraw/zinc/56/12/21/1069561221.db2.gz ZAORVTCYVQLPPX-RLFYNMQTSA-N 1 1 429.564 0.243 20 0 ICADMO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1C ZINC001472414970 1069561730 /nfs/dbraw/zinc/56/17/30/1069561730.db2.gz ZOYATSAOGOVZAA-GDAAHCPNSA-N 1 1 436.578 0.672 20 0 ICADMO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc1C ZINC001472414971 1069561793 /nfs/dbraw/zinc/56/17/93/1069561793.db2.gz ZOYATSAOGOVZAA-JCHJZTRSSA-N 1 1 436.578 0.672 20 0 ICADMO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)cc1C ZINC001472414973 1069561654 /nfs/dbraw/zinc/56/16/54/1069561654.db2.gz ZOYATSAOGOVZAA-NXWXRZEISA-N 1 1 436.578 0.672 20 0 ICADMO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)cc1C ZINC001472414974 1069561709 /nfs/dbraw/zinc/56/17/09/1069561709.db2.gz ZOYATSAOGOVZAA-QXCFHYIPSA-N 1 1 436.578 0.672 20 0 ICADMO Cc1ccc(C(=O)NCC(=O)N2CC[NH+](C)CC2)cc1S(=O)(=O)NCc1ccccc1 ZINC001472416017 1069561750 /nfs/dbraw/zinc/56/17/50/1069561750.db2.gz BSVFTZLJQOOONE-UHFFFAOYSA-N 1 1 444.557 0.977 20 0 ICADMO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001472416068 1069561764 /nfs/dbraw/zinc/56/17/64/1069561764.db2.gz DLQGEEFSHNWDTE-UHFFFAOYSA-N 1 1 432.340 0.665 20 0 ICADMO CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001472416149 1069561774 /nfs/dbraw/zinc/56/17/74/1069561774.db2.gz HOZHSBJTCSAMGG-KRWDZBQOSA-N 1 1 442.607 0.285 20 0 ICADMO CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001472416150 1069562211 /nfs/dbraw/zinc/56/22/11/1069562211.db2.gz HOZHSBJTCSAMGG-QGZVFWFLSA-N 1 1 442.607 0.285 20 0 ICADMO C[NH+]1CCN(C(=O)CNC(=O)C2([C@@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC2)CC1 ZINC001472416202 1069562141 /nfs/dbraw/zinc/56/21/41/1069562141.db2.gz LBWALWNHQCJBKT-JOCHJYFZSA-N 1 1 438.569 0.809 20 0 ICADMO 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ZINC001472572889 1069569277 /nfs/dbraw/zinc/56/92/77/1069569277.db2.gz WEIFBLLGJPZVRI-UHFFFAOYSA-N 1 1 449.556 0.744 20 0 ICADMO CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)CC1 ZINC001472573104 1069569407 /nfs/dbraw/zinc/56/94/07/1069569407.db2.gz YDFMCTMFSYDUEJ-INIZCTEOSA-N 1 1 436.940 0.848 20 0 ICADMO CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)CC1 ZINC001472573105 1069569568 /nfs/dbraw/zinc/56/95/68/1069569568.db2.gz YDFMCTMFSYDUEJ-MRXNPFEDSA-N 1 1 436.940 0.848 20 0 ICADMO CCN1CCC([N@H+]2CCCN(C(=O)CNS(=O)(=O)c3c(C)noc3C)CC2)CC1 ZINC001472579659 1069570352 /nfs/dbraw/zinc/57/03/52/1069570352.db2.gz MQSZQPLSVMKWSE-UHFFFAOYSA-N 1 1 427.571 0.588 20 0 ICADMO CCN1CCC([N@@H+]2CCCN(C(=O)CNS(=O)(=O)c3c(C)noc3C)CC2)CC1 ZINC001472579659 1069570346 /nfs/dbraw/zinc/57/03/46/1069570346.db2.gz MQSZQPLSVMKWSE-UHFFFAOYSA-N 1 1 427.571 0.588 20 0 ICADMO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@H]2CCC[N@@H+](CCF)C2)c1 ZINC001472589096 1069570866 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CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)NC[C@]2(OCCO)CCOC2)CC1 ZINC001477385496 1069921480 /nfs/dbraw/zinc/92/14/80/1069921480.db2.gz FVBMQWDIYZVAPW-HXUWFJFHSA-N 1 1 430.546 0.396 20 0 ICADMO CCn1cc(CNC(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c(=O)[nH]c1=O ZINC001477385539 1069921552 /nfs/dbraw/zinc/92/15/52/1069921552.db2.gz HNKQOFXMODIPQJ-UHFFFAOYSA-N 1 1 438.529 0.711 20 0 ICADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001477386150 1069921402 /nfs/dbraw/zinc/92/14/02/1069921402.db2.gz VPJNAROEIUCDDN-HNNXBMFYSA-N 1 1 433.575 0.262 20 0 ICADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001477386151 1069921462 /nfs/dbraw/zinc/92/14/62/1069921462.db2.gz VPJNAROEIUCDDN-OAHLLOKOSA-N 1 1 433.575 0.262 20 0 ICADMO COC(=O)[C@@H]1CN(C(=O)NCc2ccc(OCC(=O)N(C)C)c(OC)c2)CC[N@@H+](C)C1 ZINC001477387344 1069921447 /nfs/dbraw/zinc/92/14/47/1069921447.db2.gz MTTGKKSBZPUDHK-INIZCTEOSA-N 1 1 436.509 0.408 20 0 ICADMO 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COC(=O)[C@H]1CN(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)CC[N@@H+](C)C1 ZINC001477412485 1069924047 /nfs/dbraw/zinc/92/40/47/1069924047.db2.gz YAJCTMNEAWBSOF-QGZVFWFLSA-N 1 1 431.537 0.836 20 0 ICADMO CN1CCN(c2ccc(CNC(=O)NCC3(N4CCOCC4)CC[NH+](C)CC3)cn2)CC1 ZINC001477413345 1069924075 /nfs/dbraw/zinc/92/40/75/1069924075.db2.gz QOWJHWMFVBZBSL-UHFFFAOYSA-N 1 1 445.612 0.429 20 0 ICADMO COCC(COC)[NH+]1CCN(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC001477418641 1069924037 /nfs/dbraw/zinc/92/40/37/1069924037.db2.gz FNQHLNDPPMTQBI-UHFFFAOYSA-N 1 1 428.555 0.426 20 0 ICADMO CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC001477431271 1069925402 /nfs/dbraw/zinc/92/54/02/1069925402.db2.gz QFLKJMDXJALOCH-UHFFFAOYSA-N 1 1 427.571 0.380 20 0 ICADMO CC(C)[C@H](CNC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1)[NH+]1CCOCC1 ZINC001477432063 1069925348 /nfs/dbraw/zinc/92/53/48/1069925348.db2.gz WFFLAWIFIKWUET-MSOLQXFVSA-N 1 1 433.619 0.597 20 0 ICADMO 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CC(C)(C)OC(=O)N1C[C@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CO1 ZINC001477435330 1069925970 /nfs/dbraw/zinc/92/59/70/1069925970.db2.gz DXJYTCNEWQWUSV-INIZCTEOSA-N 1 1 435.529 0.839 20 0 ICADMO COCc1ncc2c(n1)CCN(C(=O)NCCC[NH+]1CCN(c3ncccn3)CC1)C2 ZINC001477435599 1069925906 /nfs/dbraw/zinc/92/59/06/1069925906.db2.gz HDULENAHMZZZRT-UHFFFAOYSA-N 1 1 426.525 0.693 20 0 ICADMO Cn1ccnc1[C@H](NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C(C)(C)CO ZINC001477435605 1069926011 /nfs/dbraw/zinc/92/60/11/1069926011.db2.gz HEZQBDKXELQIEF-KRWDZBQOSA-N 1 1 430.557 0.781 20 0 ICADMO Cn1ccnc1[C@@H](NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C(C)(C)CO ZINC001477435610 1069925882 /nfs/dbraw/zinc/92/58/82/1069925882.db2.gz HEZQBDKXELQIEF-QGZVFWFLSA-N 1 1 430.557 0.781 20 0 ICADMO CC(C)(C)OC(=O)N1CC(O)(CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC001477435885 1069925979 /nfs/dbraw/zinc/92/59/79/1069925979.db2.gz JABRKXGSBVYUDG-UHFFFAOYSA-N 1 1 449.556 0.270 20 0 ICADMO Cn1cc(Br)c(CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC001477436194 1069926061 /nfs/dbraw/zinc/92/60/61/1069926061.db2.gz NQKZGNBSEOGREF-UHFFFAOYSA-N 1 1 437.346 0.984 20 0 ICADMO C[NH+]1CCN([C@@H](CNC(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)c2cccs2)CC1 ZINC001477473498 1069927282 /nfs/dbraw/zinc/92/72/82/1069927282.db2.gz QOIVDJHXVFRIBP-KRWDZBQOSA-N 1 1 446.581 0.774 20 0 ICADMO C[NH+]1CCN([C@H](CNC(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)c2cccs2)CC1 ZINC001477473499 1069927322 /nfs/dbraw/zinc/92/73/22/1069927322.db2.gz QOIVDJHXVFRIBP-QGZVFWFLSA-N 1 1 446.581 0.774 20 0 ICADMO Cc1ccc([C@H](CN2CCOCC2)NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)cc1 ZINC001477489383 1069927819 /nfs/dbraw/zinc/92/78/19/1069927819.db2.gz DJGCTWXLJHKVMY-QNWVGRARSA-N 1 1 432.565 0.893 20 0 ICADMO Cc1ccc([C@@H](CN2CCOCC2)NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)cc1 ZINC001477489384 1069927838 /nfs/dbraw/zinc/92/78/38/1069927838.db2.gz DJGCTWXLJHKVMY-QZNHQXDQSA-N 1 1 432.565 0.893 20 0 ICADMO C[C@]1(CO)CN(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C[C@@]1(C)CO ZINC001477514212 1069929111 /nfs/dbraw/zinc/92/91/11/1069929111.db2.gz KNRJBAUTZBGZCP-ZRZAMGCNSA-N 1 1 448.564 0.870 20 0 ICADMO CC(=O)N1C[C@@H]2CN(C(=O)NCc3cccc(NC(=O)CC[NH+]4CCOCC4)c3)C[C@@H]2C1 ZINC001477514570 1069929064 /nfs/dbraw/zinc/92/90/64/1069929064.db2.gz QKPUPVOOGDWPAM-BGYRXZFFSA-N 1 1 443.548 0.967 20 0 ICADMO COC(=O)[C@H]1C[C@H](O)CN(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC001477514894 1069928943 /nfs/dbraw/zinc/92/89/43/1069928943.db2.gz VPPNYUNTQCDPHV-HKUYNNGSSA-N 1 1 448.520 0.413 20 0 ICADMO COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC001477514895 1069929798 /nfs/dbraw/zinc/92/97/98/1069929798.db2.gz VPPNYUNTQCDPHV-IEBWSBKVSA-N 1 1 448.520 0.413 20 0 ICADMO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC001477514896 1069929693 /nfs/dbraw/zinc/92/96/93/1069929693.db2.gz VPPNYUNTQCDPHV-MJGOQNOKSA-N 1 1 448.520 0.413 20 0 ICADMO COC(=O)[C@H]1C[C@@H](O)CN(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC001477514897 1069929603 /nfs/dbraw/zinc/92/96/03/1069929603.db2.gz VPPNYUNTQCDPHV-PKOBYXMFSA-N 1 1 448.520 0.413 20 0 ICADMO O=C(COc1ccccc1CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)NC[C@H]1CCCO1 ZINC001477515044 1069929714 /nfs/dbraw/zinc/92/97/14/1069929714.db2.gz ZPQVKYLQPXWIRS-IPMKNSEASA-N 1 1 432.521 0.321 20 0 ICADMO O=C(COc1ccccc1CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)NC[C@@H]1CCCO1 ZINC001477515045 1069929615 /nfs/dbraw/zinc/92/96/15/1069929615.db2.gz ZPQVKYLQPXWIRS-OTWHNJEPSA-N 1 1 432.521 0.321 20 0 ICADMO O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001477534286 1069930379 /nfs/dbraw/zinc/93/03/79/1069930379.db2.gz HXDOASJWTJBPIV-NHCUHLMSSA-N 1 1 429.565 0.883 20 0 ICADMO CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC001477548753 1069931749 /nfs/dbraw/zinc/93/17/49/1069931749.db2.gz IZVDGJPHQIHDHK-DLBZAZTESA-N 1 1 439.557 0.306 20 0 ICADMO CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC001477548756 1069931800 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CC(C)CS(=O)(=O)N1CCC(NC(=O)N2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001478310018 1069982060 /nfs/dbraw/zinc/98/20/60/1069982060.db2.gz POKBNZBAJOLYEY-UHFFFAOYSA-N 1 1 429.631 0.858 20 0 ICADMO C[N@H+]1CC[C@H](CNC(=O)N2CCN(CC(N)=O)C(=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001478347817 1069983849 /nfs/dbraw/zinc/98/38/49/1069983849.db2.gz VNDZTZHIFWQOHJ-ACJLOTCBSA-N 1 1 425.892 0.811 20 0 ICADMO C[N@H+]1CC[C@H](CNC(=O)N2CCN(CC(N)=O)C(=O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001478347818 1069983880 /nfs/dbraw/zinc/98/38/80/1069983880.db2.gz VNDZTZHIFWQOHJ-FZKQIMNGSA-N 1 1 425.892 0.811 20 0 ICADMO C[N@H+]1CC[C@@H](CNC(=O)N2CCN(CC(N)=O)C(=O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001478347819 1069983801 /nfs/dbraw/zinc/98/38/01/1069983801.db2.gz VNDZTZHIFWQOHJ-SCLBCKFNSA-N 1 1 425.892 0.811 20 0 ICADMO C[N@H+]1CC[C@@H](CNC(=O)N2CCN(CC(N)=O)C(=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001478347820 1069984446 /nfs/dbraw/zinc/98/44/46/1069984446.db2.gz VNDZTZHIFWQOHJ-UGSOOPFHSA-N 1 1 425.892 0.811 20 0 ICADMO CCN1CCC([N@H+]2CCCN(C(=O)NCC3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC001478368820 1069984479 /nfs/dbraw/zinc/98/44/79/1069984479.db2.gz IMYWGQQCRYWLJR-UHFFFAOYSA-N 1 1 429.631 0.860 20 0 ICADMO CCN1CCC([N@@H+]2CCCN(C(=O)NCC3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC001478368820 1069984472 /nfs/dbraw/zinc/98/44/72/1069984472.db2.gz IMYWGQQCRYWLJR-UHFFFAOYSA-N 1 1 429.631 0.860 20 0 ICADMO COCC(COC)[NH+]1CCN(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)CC1 ZINC001478394276 1069986507 /nfs/dbraw/zinc/98/65/07/1069986507.db2.gz OORPAMOMCCPZKU-UHFFFAOYSA-N 1 1 425.505 0.546 20 0 ICADMO CC(C)NS(=O)(=O)N1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC001478416920 1069987125 /nfs/dbraw/zinc/98/71/25/1069987125.db2.gz DXGYEJLABWAEAL-IBGZPJMESA-N 1 1 439.582 0.323 20 0 ICADMO CC(C)NS(=O)(=O)N1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001478416923 1069987176 /nfs/dbraw/zinc/98/71/76/1069987176.db2.gz DXGYEJLABWAEAL-LJQANCHMSA-N 1 1 439.582 0.323 20 0 ICADMO O=C(NCCS(=O)(=O)C1CCOCC1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001478417070 1069987081 /nfs/dbraw/zinc/98/70/81/1069987081.db2.gz GHLPUVDDUCEFFI-GOSISDBHSA-N 1 1 425.551 0.646 20 0 ICADMO O=C(NCCS(=O)(=O)C1CCOCC1)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001478417071 1069987146 /nfs/dbraw/zinc/98/71/46/1069987146.db2.gz GHLPUVDDUCEFFI-SFHVURJKSA-N 1 1 425.551 0.646 20 0 ICADMO NC(=O)c1cn(C2CCN(C(=O)NCc3ccccc3C[N@H+]3CC[C@@H](O)C3)CC2)nn1 ZINC001478419091 1069986954 /nfs/dbraw/zinc/98/69/54/1069986954.db2.gz RSQIVBKZERBZDT-GOSISDBHSA-N 1 1 427.509 0.490 20 0 ICADMO NC(=O)c1cn(C2CCN(C(=O)NCc3ccccc3C[N@H+]3CC[C@H](O)C3)CC2)nn1 ZINC001478419094 1069987670 /nfs/dbraw/zinc/98/76/70/1069987670.db2.gz RSQIVBKZERBZDT-SFHVURJKSA-N 1 1 427.509 0.490 20 0 ICADMO CS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)s1 ZINC001478436831 1069988461 /nfs/dbraw/zinc/98/84/61/1069988461.db2.gz IGKOQIYPNZJEKG-HNNXBMFYSA-N 1 1 430.596 0.747 20 0 ICADMO CS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)s1 ZINC001478436832 1069988317 /nfs/dbraw/zinc/98/83/17/1069988317.db2.gz IGKOQIYPNZJEKG-OAHLLOKOSA-N 1 1 430.596 0.747 20 0 ICADMO CO[C@@]1(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCS(=O)(=O)C1 ZINC001478436909 1069988402 /nfs/dbraw/zinc/98/84/02/1069988402.db2.gz MZXNDLGTVLKBON-AZUAARDMSA-N 1 1 425.551 0.780 20 0 ICADMO CO[C@]1(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCS(=O)(=O)C1 ZINC001478436910 1069988422 /nfs/dbraw/zinc/98/84/22/1069988422.db2.gz MZXNDLGTVLKBON-ICSRJNTNSA-N 1 1 425.551 0.780 20 0 ICADMO CO[C@]1(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCS(=O)(=O)C1 ZINC001478436911 1069988580 /nfs/dbraw/zinc/98/85/80/1069988580.db2.gz MZXNDLGTVLKBON-QUCCMNQESA-N 1 1 425.551 0.780 20 0 ICADMO CO[C@@]1(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCS(=O)(=O)C1 ZINC001478436912 1069988499 /nfs/dbraw/zinc/98/84/99/1069988499.db2.gz MZXNDLGTVLKBON-UYAOXDASSA-N 1 1 425.551 0.780 20 0 ICADMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)NC[C@@]1(CO)COC[C@@H]2CCCN21 ZINC001478437141 1069988249 /nfs/dbraw/zinc/98/82/49/1069988249.db2.gz ORMKXJUSJGAGPK-QNWVGRARSA-N 1 1 432.565 0.802 20 0 ICADMO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)NC[C@@]1(CO)COC[C@@H]2CCCN21 ZINC001478437141 1069988246 /nfs/dbraw/zinc/98/82/46/1069988246.db2.gz ORMKXJUSJGAGPK-QNWVGRARSA-N 1 1 432.565 0.802 20 0 ICADMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)NC[C@@]1(CO)COC[C@@H]2CCCN21 ZINC001478437142 1069988390 /nfs/dbraw/zinc/98/83/90/1069988390.db2.gz ORMKXJUSJGAGPK-QZNHQXDQSA-N 1 1 432.565 0.802 20 0 ICADMO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)NC[C@@]1(CO)COC[C@@H]2CCCN21 ZINC001478437142 1069988384 /nfs/dbraw/zinc/98/83/84/1069988384.db2.gz ORMKXJUSJGAGPK-QZNHQXDQSA-N 1 1 432.565 0.802 20 0 ICADMO CN1CCN(C(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)CC[N@@H+](C)CC1 ZINC001478489360 1069990144 /nfs/dbraw/zinc/99/01/44/1069990144.db2.gz ZBUFXFTZJCZTFB-UHFFFAOYSA-N 1 1 427.546 0.754 20 0 ICADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC001478503592 1069991101 /nfs/dbraw/zinc/99/11/01/1069991101.db2.gz OCWGEFLPGADGCJ-CHWSQXEVSA-N 1 1 436.937 0.854 20 0 ICADMO C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)[C@@H](C)C[N@H+]1CCO ZINC001478503593 1069991382 /nfs/dbraw/zinc/99/13/82/1069991382.db2.gz OCWGEFLPGADGCJ-OLZOCXBDSA-N 1 1 436.937 0.854 20 0 ICADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC001478503594 1069991287 /nfs/dbraw/zinc/99/12/87/1069991287.db2.gz OCWGEFLPGADGCJ-QWHCGFSZSA-N 1 1 436.937 0.854 20 0 ICADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC001478503595 1069991132 /nfs/dbraw/zinc/99/11/32/1069991132.db2.gz OCWGEFLPGADGCJ-STQMWFEESA-N 1 1 436.937 0.854 20 0 ICADMO C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1C[N@@H+](C)CCN1C ZINC001478504385 1069991350 /nfs/dbraw/zinc/99/13/50/1069991350.db2.gz IIKLGYNJFHTJOK-DOMZBBRYSA-N 1 1 435.953 0.691 20 0 ICADMO C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)[C@H]1C[N@@H+](C)CCN1C ZINC001478504386 1069991427 /nfs/dbraw/zinc/99/14/27/1069991427.db2.gz IIKLGYNJFHTJOK-IUODEOHRSA-N 1 1 435.953 0.691 20 0 ICADMO C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)[C@H]1C[N@@H+](C)CCN1C ZINC001478504387 1069991212 /nfs/dbraw/zinc/99/12/12/1069991212.db2.gz IIKLGYNJFHTJOK-SWLSCSKDSA-N 1 1 435.953 0.691 20 0 ICADMO C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1C[N@@H+](C)CCN1C ZINC001478504388 1069991320 /nfs/dbraw/zinc/99/13/20/1069991320.db2.gz IIKLGYNJFHTJOK-WFASDCNBSA-N 1 1 435.953 0.691 20 0 ICADMO O=C(NCCNS(=O)(=O)c1ccc(F)cc1Cl)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001478511586 1069992491 /nfs/dbraw/zinc/99/24/91/1069992491.db2.gz OXMPPOKATZRUSE-AWEZNQCLSA-N 1 1 436.937 0.903 20 0 ICADMO O=C(NCCNS(=O)(=O)c1ccc(F)cc1Cl)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001478511587 1069992550 /nfs/dbraw/zinc/99/25/50/1069992550.db2.gz OXMPPOKATZRUSE-CQSZACIVSA-N 1 1 436.937 0.903 20 0 ICADMO O=C(NCCNS(=O)(=O)c1ccc(F)cc1F)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001478525019 1069993555 /nfs/dbraw/zinc/99/35/55/1069993555.db2.gz ZXHFTHOXVNHJLN-CVEARBPZSA-N 1 1 432.493 0.484 20 0 ICADMO O=C(NCCNS(=O)(=O)c1ccc(F)cc1F)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001478525020 1069993624 /nfs/dbraw/zinc/99/36/24/1069993624.db2.gz ZXHFTHOXVNHJLN-HOTGVXAUSA-N 1 1 432.493 0.484 20 0 ICADMO O=C(NCCNS(=O)(=O)c1ccc(F)cc1F)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001478525021 1069993540 /nfs/dbraw/zinc/99/35/40/1069993540.db2.gz ZXHFTHOXVNHJLN-HZPDHXFCSA-N 1 1 432.493 0.484 20 0 ICADMO O=C(NCCNS(=O)(=O)c1ccc(F)cc1F)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001478525022 1069993588 /nfs/dbraw/zinc/99/35/88/1069993588.db2.gz ZXHFTHOXVNHJLN-JKSUJKDBSA-N 1 1 432.493 0.484 20 0 ICADMO Cc1cc(S(N)(=O)=O)ccc1CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001478529844 1069994301 /nfs/dbraw/zinc/99/43/01/1069994301.db2.gz NNYWVSOPJHRNMO-UHFFFAOYSA-N 1 1 426.539 0.323 20 0 ICADMO CN(CCNC(=O)N1CCC(N2CC[NH+](C)CC2)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC001478532577 1069994248 /nfs/dbraw/zinc/99/42/48/1069994248.db2.gz QZQNNQUVMVODNZ-UHFFFAOYSA-N 1 1 441.573 0.868 20 0 ICADMO CCOC1CC(CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)(N2CCOCC2)C1 ZINC001478559586 1069994682 /nfs/dbraw/zinc/99/46/82/1069994682.db2.gz VXGJRFVOIGLPPE-UHFFFAOYSA-N 1 1 440.585 0.437 20 0 ICADMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC001478563842 1069995383 /nfs/dbraw/zinc/99/53/83/1069995383.db2.gz MMJXAJUYXABEFE-GOSISDBHSA-N 1 1 432.550 0.948 20 0 ICADMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC001478563843 1069995246 /nfs/dbraw/zinc/99/52/46/1069995246.db2.gz MMJXAJUYXABEFE-SFHVURJKSA-N 1 1 432.550 0.948 20 0 ICADMO CS(=O)(=O)Cc1nc(CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)n[nH]1 ZINC001478574676 1069995418 /nfs/dbraw/zinc/99/54/18/1069995418.db2.gz NKWFSHKUQHSINB-UHFFFAOYSA-N 1 1 438.476 0.954 20 0 ICADMO O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001478594971 1069996430 /nfs/dbraw/zinc/99/64/30/1069996430.db2.gz OELVJZLVOMMTPG-DLBZAZTESA-N 1 1 437.507 0.345 20 0 ICADMO O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001478594972 1069996495 /nfs/dbraw/zinc/99/64/95/1069996495.db2.gz OELVJZLVOMMTPG-IAGOWNOFSA-N 1 1 437.507 0.345 20 0 ICADMO O=C(NC[C@H](N1CCOCC1)C(F)(F)F)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001478594973 1069997006 /nfs/dbraw/zinc/99/70/06/1069997006.db2.gz OELVJZLVOMMTPG-IRXDYDNUSA-N 1 1 437.507 0.345 20 0 ICADMO O=C(NC[C@H](N1CCOCC1)C(F)(F)F)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001478594974 1069996944 /nfs/dbraw/zinc/99/69/44/1069996944.db2.gz OELVJZLVOMMTPG-SJORKVTESA-N 1 1 437.507 0.345 20 0 ICADMO COc1ccc(S(=O)(=O)N2CC(NC(=O)NC[C@@H]3CC[N@H+]3C3CCOCC3)C2)cc1 ZINC001478598568 1069997655 /nfs/dbraw/zinc/99/76/55/1069997655.db2.gz BSXIMYGYFQPNSJ-KRWDZBQOSA-N 1 1 438.550 0.621 20 0 ICADMO COc1ccc(S(=O)(=O)N2CC(NC(=O)NC[C@H]3CC[N@H+]3C3CCOCC3)C2)cc1 ZINC001478598569 1069997597 /nfs/dbraw/zinc/99/75/97/1069997597.db2.gz BSXIMYGYFQPNSJ-QGZVFWFLSA-N 1 1 438.550 0.621 20 0 ICADMO COCC[N@@H+]1[C@H](C)CN(C(=O)NC2CN(S(=O)(=O)c3ccc(OC)cc3)C2)C[C@@H]1C ZINC001478600334 1069998159 /nfs/dbraw/zinc/99/81/59/1069998159.db2.gz QEOPCVYPDHYILT-IYBDPMFKSA-N 1 1 440.566 0.819 20 0 ICADMO COc1ccc(S(=O)(=O)N2CC(NC(=O)NC[C@@H]3CCC[N@H+]3CCCO)C2)cc1 ZINC001478601496 1069998736 /nfs/dbraw/zinc/99/87/36/1069998736.db2.gz XDKWHCTUPKQOIE-INIZCTEOSA-N 1 1 426.539 0.214 20 0 ICADMO COc1ccc(S(=O)(=O)N2CC(NC(=O)NC[C@H]3CCC[N@H+]3CCCO)C2)cc1 ZINC001478601502 1069998726 /nfs/dbraw/zinc/99/87/26/1069998726.db2.gz XDKWHCTUPKQOIE-MRXNPFEDSA-N 1 1 426.539 0.214 20 0 ICADMO O=C(NCCCN1C(=O)c2ccccc2C1=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001478603263 1069998647 /nfs/dbraw/zinc/99/86/47/1069998647.db2.gz AOJDCGUDVGJKCK-GOSISDBHSA-N 1 1 443.548 0.769 20 0 ICADMO O=C(NCCCN1C(=O)c2ccccc2C1=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001478603264 1069998681 /nfs/dbraw/zinc/99/86/81/1069998681.db2.gz AOJDCGUDVGJKCK-SFHVURJKSA-N 1 1 443.548 0.769 20 0 ICADMO O=C(NCCn1cc(Br)cn1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001478605192 1069999264 /nfs/dbraw/zinc/99/92/64/1069999264.db2.gz HDGVXWRNOQAIPO-INIZCTEOSA-N 1 1 429.363 0.741 20 0 ICADMO O=C(NCCn1cc(Br)cn1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001478605232 1069999351 /nfs/dbraw/zinc/99/93/51/1069999351.db2.gz HDGVXWRNOQAIPO-MRXNPFEDSA-N 1 1 429.363 0.741 20 0 ICADMO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1Cl)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001478609423 1069999787 /nfs/dbraw/zinc/99/97/87/1069999787.db2.gz XZVGPKAHNHYTAE-LLVKDONJSA-N 1 1 425.338 0.638 20 0 ICADMO C[NH+]1CCC(Oc2ccc(CNC(=O)NCc3n[nH]c(CS(C)(=O)=O)n3)cc2)CC1 ZINC001478613336 1069999911 /nfs/dbraw/zinc/99/99/11/1069999911.db2.gz CUJNIMAWFRVHMY-UHFFFAOYSA-N 1 1 436.538 0.822 20 0 ICADMO NS(=O)(=O)Cc1cccc(CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1 ZINC001478615705 1069999936 /nfs/dbraw/zinc/99/99/36/1069999936.db2.gz PYJARDCADBMDDK-IBGZPJMESA-N 1 1 439.582 0.071 20 0 ICADMO NS(=O)(=O)Cc1cccc(CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1 ZINC001478615706 1070000021 /nfs/dbraw/zinc/00/00/21/1070000021.db2.gz PYJARDCADBMDDK-LJQANCHMSA-N 1 1 439.582 0.071 20 0 ICADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCC(=O)Nc1ccc(I)cc1 ZINC001478626252 1070001132 /nfs/dbraw/zinc/00/11/32/1070001132.db2.gz PQNPDOYASQYASR-GFCCVEGCSA-N 1 1 446.289 0.938 20 0 ICADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCC(=O)Nc1ccc(I)cc1 ZINC001478626252 1070001116 /nfs/dbraw/zinc/00/11/16/1070001116.db2.gz PQNPDOYASQYASR-GFCCVEGCSA-N 1 1 446.289 0.938 20 0 ICADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCC(=O)Nc1ccc(I)cc1 ZINC001478626254 1070001388 /nfs/dbraw/zinc/00/13/88/1070001388.db2.gz PQNPDOYASQYASR-LBPRGKRZSA-N 1 1 446.289 0.938 20 0 ICADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)NCC(=O)Nc1ccc(I)cc1 ZINC001478626254 1070001371 /nfs/dbraw/zinc/00/13/71/1070001371.db2.gz PQNPDOYASQYASR-LBPRGKRZSA-N 1 1 446.289 0.938 20 0 ICADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCCn1cc(C(=O)OC)nn1 ZINC001478626712 1070001179 /nfs/dbraw/zinc/00/11/79/1070001179.db2.gz 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Cc1cc(N2CCC[C@H](N3CCN(C(=O)NCC[N@H+]4CCCOCC4)CC3)C2=O)n(C)n1 ZINC001478727598 1070009064 /nfs/dbraw/zinc/00/90/64/1070009064.db2.gz ZQQLYJWDZJRTPW-IBGZPJMESA-N 1 1 447.584 0.273 20 0 ICADMO Cc1cc(N2CCC[C@@H](N3CCN(C(=O)NCC[N@H+]4CCCOCC4)CC3)C2=O)n(C)n1 ZINC001478727599 1070010065 /nfs/dbraw/zinc/01/00/65/1070010065.db2.gz ZQQLYJWDZJRTPW-LJQANCHMSA-N 1 1 447.584 0.273 20 0 ICADMO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCCC[N@@H+](C)C3CC3)CC2)C[C@H](C)O1 ZINC001478778674 1070012208 /nfs/dbraw/zinc/01/22/08/1070012208.db2.gz CYPUIDXLGLKMMU-CALCHBBNSA-N 1 1 431.603 0.542 20 0 ICADMO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCCC[N@@H+](C)C3CC3)CC2)C[C@@H](C)O1 ZINC001478778675 1070012078 /nfs/dbraw/zinc/01/20/78/1070012078.db2.gz CYPUIDXLGLKMMU-IAGOWNOFSA-N 1 1 431.603 0.542 20 0 ICADMO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCCC[N@@H+](C)C3CC3)CC2)C[C@H](C)O1 ZINC001478778676 1070011905 /nfs/dbraw/zinc/01/19/05/1070011905.db2.gz CYPUIDXLGLKMMU-IRXDYDNUSA-N 1 1 431.603 0.542 20 0 ICADMO 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COC(=O)CC[N@H+]1CCN(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)[C@@H](C)C1 ZINC001478780855 1070012871 /nfs/dbraw/zinc/01/28/71/1070012871.db2.gz NXUYKVBKKRKTKG-HOTGVXAUSA-N 1 1 428.530 0.901 20 0 ICADMO COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)[C@@H](C)C1 ZINC001478780855 1070012859 /nfs/dbraw/zinc/01/28/59/1070012859.db2.gz NXUYKVBKKRKTKG-HOTGVXAUSA-N 1 1 428.530 0.901 20 0 ICADMO COC(=O)CC[N@H+]1CCN(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)[C@H](C)C1 ZINC001478780860 1070012937 /nfs/dbraw/zinc/01/29/37/1070012937.db2.gz NXUYKVBKKRKTKG-HZPDHXFCSA-N 1 1 428.530 0.901 20 0 ICADMO COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)[C@H](C)C1 ZINC001478780860 1070012913 /nfs/dbraw/zinc/01/29/13/1070012913.db2.gz NXUYKVBKKRKTKG-HZPDHXFCSA-N 1 1 428.530 0.901 20 0 ICADMO COC(=O)CC[N@H+]1CCN(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)[C@@H](C)C1 ZINC001478780866 1070013145 /nfs/dbraw/zinc/01/31/45/1070013145.db2.gz NXUYKVBKKRKTKG-JKSUJKDBSA-N 1 1 428.530 0.901 20 0 ICADMO COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)[C@@H](C)C1 ZINC001478780866 1070013135 /nfs/dbraw/zinc/01/31/35/1070013135.db2.gz NXUYKVBKKRKTKG-JKSUJKDBSA-N 1 1 428.530 0.901 20 0 ICADMO C[N@H+]1CCC[C@@H](CCNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)C1 ZINC001478787626 1070015806 /nfs/dbraw/zinc/01/58/06/1070015806.db2.gz OHINAOBMVHYBBZ-INIZCTEOSA-N 1 1 449.577 0.929 20 0 ICADMO C[N@H+]1CCC[C@H](CCNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)C1 ZINC001478787628 1070015667 /nfs/dbraw/zinc/01/56/67/1070015667.db2.gz OHINAOBMVHYBBZ-MRXNPFEDSA-N 1 1 449.577 0.929 20 0 ICADMO COC[C@@H]1CC[C@@H]([C@@H]2COCCN2C(=O)NCC2([NH+]3CCOCC3)CCOCC2)O1 ZINC001478787729 1070015400 /nfs/dbraw/zinc/01/54/00/1070015400.db2.gz QIHDPULPAZCQJE-FHWLQOOXSA-N 1 1 427.542 0.472 20 0 ICADMO COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)NCC2([NH+]3CCOCC3)CCOCC2)O1 ZINC001478787730 1070015315 /nfs/dbraw/zinc/01/53/15/1070015315.db2.gz QIHDPULPAZCQJE-GBESFXJTSA-N 1 1 427.542 0.472 20 0 ICADMO COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)NCC2([NH+]3CCOCC3)CCOCC2)O1 ZINC001478787731 1070015725 /nfs/dbraw/zinc/01/57/25/1070015725.db2.gz QIHDPULPAZCQJE-IPMKNSEASA-N 1 1 427.542 0.472 20 0 ICADMO COC[C@@H]1CC[C@@H]([C@H]2COCCN2C(=O)NCC2([NH+]3CCOCC3)CCOCC2)O1 ZINC001478787732 1070015895 /nfs/dbraw/zinc/01/58/95/1070015895.db2.gz QIHDPULPAZCQJE-OTWHNJEPSA-N 1 1 427.542 0.472 20 0 ICADMO CC(C)(CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@@H]1COCC12OCCO2 ZINC001478788386 1070015441 /nfs/dbraw/zinc/01/54/41/1070015441.db2.gz AWCWQTJKWPMRIG-KRWDZBQOSA-N 1 1 427.542 0.583 20 0 ICADMO CC(C)(CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@H]1COCC12OCCO2 ZINC001478788390 1070015826 /nfs/dbraw/zinc/01/58/26/1070015826.db2.gz AWCWQTJKWPMRIG-QGZVFWFLSA-N 1 1 427.542 0.583 20 0 ICADMO CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC001478788442 1070015501 /nfs/dbraw/zinc/01/55/01/1070015501.db2.gz BJPGJZGJFWTVNF-UHFFFAOYSA-N 1 1 442.557 0.539 20 0 ICADMO CN(C)[S@@](C)(=O)=NCC1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC001478788604 1070015359 /nfs/dbraw/zinc/01/53/59/1070015359.db2.gz DOWCDZPLDJNLSI-PMERELPUSA-N 1 1 445.630 0.864 20 0 ICADMO CN(C)[S@](C)(=O)=NCC1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC001478788606 1070015873 /nfs/dbraw/zinc/01/58/73/1070015873.db2.gz DOWCDZPLDJNLSI-SSEXGKCCSA-N 1 1 445.630 0.864 20 0 ICADMO CCc1noc(C[C@@]2(O)CCCN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)C2)n1 ZINC001478788639 1070015751 /nfs/dbraw/zinc/01/57/51/1070015751.db2.gz FDJIQKKTSFOJMN-NRFANRHFSA-N 1 1 437.541 0.592 20 0 ICADMO CCc1noc(C[C@]2(O)CCCN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)C2)n1 ZINC001478788640 1070015697 /nfs/dbraw/zinc/01/56/97/1070015697.db2.gz FDJIQKKTSFOJMN-OAQYLSRUSA-N 1 1 437.541 0.592 20 0 ICADMO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC001478788642 1070015541 /nfs/dbraw/zinc/01/55/41/1070015541.db2.gz FGAPYDONETYDOU-DLBZAZTESA-N 1 1 442.557 0.395 20 0 ICADMO O=C(NCC1(N2CCOCC2)CCOCC1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001478788671 1070015846 /nfs/dbraw/zinc/01/58/46/1070015846.db2.gz GHYAAJUVFBPRHI-UHFFFAOYSA-N 1 1 426.558 0.048 20 0 ICADMO O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001478788875 1070015616 /nfs/dbraw/zinc/01/56/16/1070015616.db2.gz HNDXIBFTNCDUSH-UHFFFAOYSA-N 1 1 432.521 0.741 20 0 ICADMO O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC001478789302 1070016438 /nfs/dbraw/zinc/01/64/38/1070016438.db2.gz NRHDIHOUKWUHMC-UHFFFAOYSA-N 1 1 442.511 0.987 20 0 ICADMO NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC001478789594 1070016583 /nfs/dbraw/zinc/01/65/83/1070016583.db2.gz OBGLEZZPNWMBOK-FQEVSTJZSA-N 1 1 445.564 0.422 20 0 ICADMO NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC001478789595 1070016341 /nfs/dbraw/zinc/01/63/41/1070016341.db2.gz OBGLEZZPNWMBOK-HXUWFJFHSA-N 1 1 445.564 0.422 20 0 ICADMO CCCS(=O)(=O)NC1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC001478790002 1070016378 /nfs/dbraw/zinc/01/63/78/1070016378.db2.gz UKMAEKZVTQNXFY-UHFFFAOYSA-N 1 1 432.587 0.371 20 0 ICADMO CCNS(=O)(=O)c1cccc(CNC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)c1 ZINC001478791940 1070016182 /nfs/dbraw/zinc/01/61/82/1070016182.db2.gz MQCMVJOCFFQLAQ-HNNXBMFYSA-N 1 1 426.539 0.764 20 0 ICADMO CCNS(=O)(=O)c1cccc(CNC(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)c1 ZINC001478791940 1070016162 /nfs/dbraw/zinc/01/61/62/1070016162.db2.gz MQCMVJOCFFQLAQ-HNNXBMFYSA-N 1 1 426.539 0.764 20 0 ICADMO CCNS(=O)(=O)c1cccc(CNC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)c1 ZINC001478791941 1070016552 /nfs/dbraw/zinc/01/65/52/1070016552.db2.gz MQCMVJOCFFQLAQ-OAHLLOKOSA-N 1 1 426.539 0.764 20 0 ICADMO CCNS(=O)(=O)c1cccc(CNC(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)c1 ZINC001478791941 1070016539 /nfs/dbraw/zinc/01/65/39/1070016539.db2.gz MQCMVJOCFFQLAQ-OAHLLOKOSA-N 1 1 426.539 0.764 20 0 ICADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC3(CS(C)(=O)=O)CCC3)CC2)CC1 ZINC001478826464 1070019492 /nfs/dbraw/zinc/01/94/92/1070019492.db2.gz FHIRNLNNTLVKMZ-UHFFFAOYSA-N 1 1 428.599 0.787 20 0 ICADMO 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ICADMO Cc1nc(S(=O)(=O)N2CCN(C(=O)NC[C@H](C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1C ZINC001478885768 1070025101 /nfs/dbraw/zinc/02/51/01/1070025101.db2.gz LOWNZWIYGUTVRU-HRCADAONSA-N 1 1 442.586 0.242 20 0 ICADMO Cc1nc(S(=O)(=O)N2CCN(C(=O)NC[C@H](C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1C ZINC001478885768 1070025093 /nfs/dbraw/zinc/02/50/93/1070025093.db2.gz LOWNZWIYGUTVRU-HRCADAONSA-N 1 1 442.586 0.242 20 0 ICADMO Cc1nc(S(=O)(=O)N2CCN(C(=O)NC[C@@H](C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1C ZINC001478885769 1070025399 /nfs/dbraw/zinc/02/53/99/1070025399.db2.gz LOWNZWIYGUTVRU-OAGGEKHMSA-N 1 1 442.586 0.242 20 0 ICADMO Cc1nc(S(=O)(=O)N2CCN(C(=O)NC[C@@H](C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1C ZINC001478885769 1070025381 /nfs/dbraw/zinc/02/53/81/1070025381.db2.gz LOWNZWIYGUTVRU-OAGGEKHMSA-N 1 1 442.586 0.242 20 0 ICADMO C[C@@H](CNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001478885973 1070025169 /nfs/dbraw/zinc/02/51/69/1070025169.db2.gz PXTDPKJPDKDOHG-YESZJQIVSA-N 1 1 449.577 0.960 20 0 ICADMO C[C@@H](CNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001478885973 1070025154 /nfs/dbraw/zinc/02/51/54/1070025154.db2.gz PXTDPKJPDKDOHG-YESZJQIVSA-N 1 1 449.577 0.960 20 0 ICADMO C[C@H](CNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001478885975 1070025477 /nfs/dbraw/zinc/02/54/77/1070025477.db2.gz PXTDPKJPDKDOHG-ZACQAIPSSA-N 1 1 449.577 0.960 20 0 ICADMO C[C@H](CNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001478885975 1070025459 /nfs/dbraw/zinc/02/54/59/1070025459.db2.gz PXTDPKJPDKDOHG-ZACQAIPSSA-N 1 1 449.577 0.960 20 0 ICADMO CN(C)S(=O)(=O)N[C@@H](CNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C1CCCC1 ZINC001478899054 1070025942 /nfs/dbraw/zinc/02/59/42/1070025942.db2.gz AIGXBGMJGDLHRN-IBGZPJMESA-N 1 1 446.662 0.609 20 0 ICADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC001478899054 1070025922 /nfs/dbraw/zinc/02/59/22/1070025922.db2.gz AIGXBGMJGDLHRN-IBGZPJMESA-N 1 1 446.662 0.609 20 0 ICADMO CN(C)S(=O)(=O)N[C@H](CNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C1CCCC1 ZINC001478899058 1070026184 /nfs/dbraw/zinc/02/61/84/1070026184.db2.gz AIGXBGMJGDLHRN-LJQANCHMSA-N 1 1 446.662 0.609 20 0 ICADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC001478899058 1070026169 /nfs/dbraw/zinc/02/61/69/1070026169.db2.gz AIGXBGMJGDLHRN-LJQANCHMSA-N 1 1 446.662 0.609 20 0 ICADMO CN(C)S(=O)(=O)N[C@@H](CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCC1 ZINC001478900137 1070026691 /nfs/dbraw/zinc/02/66/91/1070026691.db2.gz KEXLYLVGQPUXQC-MSOLQXFVSA-N 1 1 431.603 0.447 20 0 ICADMO CN(C)S(=O)(=O)N[C@H](CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCC1 ZINC001478900138 1070026978 /nfs/dbraw/zinc/02/69/78/1070026978.db2.gz KEXLYLVGQPUXQC-QZTJIDSGSA-N 1 1 431.603 0.447 20 0 ICADMO CN(C)S(=O)(=O)N[C@@H](CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCC1 ZINC001478900140 1070026651 /nfs/dbraw/zinc/02/66/51/1070026651.db2.gz KEXLYLVGQPUXQC-ROUUACIJSA-N 1 1 431.603 0.447 20 0 ICADMO CN(C)S(=O)(=O)N[C@H](CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCC1 ZINC001478900141 1070027058 /nfs/dbraw/zinc/02/70/58/1070027058.db2.gz KEXLYLVGQPUXQC-ZWKOTPCHSA-N 1 1 431.603 0.447 20 0 ICADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC001478900275 1070026597 /nfs/dbraw/zinc/02/65/97/1070026597.db2.gz LCXOXVUFXYFKDP-APWZRJJASA-N 1 1 445.630 0.836 20 0 ICADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC001478900276 1070026801 /nfs/dbraw/zinc/02/68/01/1070026801.db2.gz LCXOXVUFXYFKDP-VQIMIIECSA-N 1 1 445.630 0.836 20 0 ICADMO COC(=O)CC[N@H+]1CCN(C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)[C@@H](C)C1 ZINC001478900734 1070026872 /nfs/dbraw/zinc/02/68/72/1070026872.db2.gz NVWXDKKJZBNCQS-DOTOQJQBSA-N 1 1 447.602 0.220 20 0 ICADMO COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)[C@@H](C)C1 ZINC001478900734 1070026857 /nfs/dbraw/zinc/02/68/57/1070026857.db2.gz NVWXDKKJZBNCQS-DOTOQJQBSA-N 1 1 447.602 0.220 20 0 ICADMO COC(=O)CC[N@H+]1CCN(C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)[C@H](C)C1 ZINC001478900736 1070027529 /nfs/dbraw/zinc/02/75/29/1070027529.db2.gz NVWXDKKJZBNCQS-NVXWUHKLSA-N 1 1 447.602 0.220 20 0 ICADMO COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)[C@H](C)C1 ZINC001478900736 1070027509 /nfs/dbraw/zinc/02/75/09/1070027509.db2.gz NVWXDKKJZBNCQS-NVXWUHKLSA-N 1 1 447.602 0.220 20 0 ICADMO COC(=O)CC[N@H+]1CCN(C(=O)NC[C@H](NS(=O)(=O)N(C)C)C2CCCC2)[C@@H](C)C1 ZINC001478900737 1070027834 /nfs/dbraw/zinc/02/78/34/1070027834.db2.gz NVWXDKKJZBNCQS-RDJZCZTQSA-N 1 1 447.602 0.220 20 0 ICADMO COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@H](NS(=O)(=O)N(C)C)C2CCCC2)[C@@H](C)C1 ZINC001478900737 1070027820 /nfs/dbraw/zinc/02/78/20/1070027820.db2.gz NVWXDKKJZBNCQS-RDJZCZTQSA-N 1 1 447.602 0.220 20 0 ICADMO COC(=O)CC[N@H+]1CCN(C(=O)NC[C@H](NS(=O)(=O)N(C)C)C2CCCC2)[C@H](C)C1 ZINC001478900740 1070027799 /nfs/dbraw/zinc/02/77/99/1070027799.db2.gz NVWXDKKJZBNCQS-WBVHZDCISA-N 1 1 447.602 0.220 20 0 ICADMO COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@H](NS(=O)(=O)N(C)C)C2CCCC2)[C@H](C)C1 ZINC001478900740 1070027781 /nfs/dbraw/zinc/02/77/81/1070027781.db2.gz NVWXDKKJZBNCQS-WBVHZDCISA-N 1 1 447.602 0.220 20 0 ICADMO CN(C)S(=O)(=O)N[C@@H](CNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C1CCCC1 ZINC001478900751 1070027368 /nfs/dbraw/zinc/02/73/68/1070027368.db2.gz NZOZDCJVGXDEHW-MOPGFXCFSA-N 1 1 444.646 0.363 20 0 ICADMO CN(C)S(=O)(=O)N[C@@H](CNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C1CCCC1 ZINC001478900753 1070027742 /nfs/dbraw/zinc/02/77/42/1070027742.db2.gz NZOZDCJVGXDEHW-OALUTQOASA-N 1 1 444.646 0.363 20 0 ICADMO CN(C)S(=O)(=O)N[C@H](CNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C1CCCC1 ZINC001478900754 1070027918 /nfs/dbraw/zinc/02/79/18/1070027918.db2.gz NZOZDCJVGXDEHW-RBUKOAKNSA-N 1 1 444.646 0.363 20 0 ICADMO CN(C)S(=O)(=O)N[C@H](CNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C1CCCC1 ZINC001478900757 1070027704 /nfs/dbraw/zinc/02/77/04/1070027704.db2.gz NZOZDCJVGXDEHW-RTBURBONSA-N 1 1 444.646 0.363 20 0 ICADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC001478900769 1070027411 /nfs/dbraw/zinc/02/74/11/1070027411.db2.gz OCHZMPOBZHXVPA-DOTOQJQBSA-N 1 1 433.619 0.428 20 0 ICADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC001478900779 1070027605 /nfs/dbraw/zinc/02/76/05/1070027605.db2.gz OCHZMPOBZHXVPA-NVXWUHKLSA-N 1 1 433.619 0.428 20 0 ICADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC001478900780 1070027307 /nfs/dbraw/zinc/02/73/07/1070027307.db2.gz OCHZMPOBZHXVPA-RDJZCZTQSA-N 1 1 433.619 0.428 20 0 ICADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC001478900782 1070027869 /nfs/dbraw/zinc/02/78/69/1070027869.db2.gz OCHZMPOBZHXVPA-WBVHZDCISA-N 1 1 433.619 0.428 20 0 ICADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC2)CC1 ZINC001478935501 1070032219 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IOMIHCKVLANDEN-AWEZNQCLSA-N 1 1 428.331 0.720 20 0 ICADMO O=C(NCCNC(=O)c1ccc(Br)cn1)NC[C@H]1CCC[N@@H+]1CCCO ZINC001478958703 1070035928 /nfs/dbraw/zinc/03/59/28/1070035928.db2.gz IOMIHCKVLANDEN-CQSZACIVSA-N 1 1 428.331 0.720 20 0 ICADMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC001478960170 1070037064 /nfs/dbraw/zinc/03/70/64/1070037064.db2.gz NNYMIVOBGAMOQP-CYBMUJFWSA-N 1 1 427.527 0.267 20 0 ICADMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC001478960171 1070037258 /nfs/dbraw/zinc/03/72/58/1070037258.db2.gz NNYMIVOBGAMOQP-ZDUSSCGKSA-N 1 1 427.527 0.267 20 0 ICADMO COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001478970367 1070037915 /nfs/dbraw/zinc/03/79/15/1070037915.db2.gz KFZZHVBXVXTJCI-IRXDYDNUSA-N 1 1 441.573 0.994 20 0 ICADMO COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001478970368 1070037765 /nfs/dbraw/zinc/03/77/65/1070037765.db2.gz KFZZHVBXVXTJCI-SJORKVTESA-N 1 1 441.573 0.994 20 0 ICADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC001478972158 1070038036 /nfs/dbraw/zinc/03/80/36/1070038036.db2.gz ZFNQQOZOWGIQML-KSZLIROESA-N 1 1 427.505 0.153 20 0 ICADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC1(CN2CCN(c3ccccc3)CC2)CC1 ZINC001478972187 1070037973 /nfs/dbraw/zinc/03/79/73/1070037973.db2.gz ZXHMXRZAFNTZGC-FQEVSTJZSA-N 1 1 428.581 0.980 20 0 ICADMO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC1(CN2CCN(c3ccccc3)CC2)CC1 ZINC001478972187 1070037962 /nfs/dbraw/zinc/03/79/62/1070037962.db2.gz ZXHMXRZAFNTZGC-FQEVSTJZSA-N 1 1 428.581 0.980 20 0 ICADMO Cn1ccnc1C(NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)c1nccn1C ZINC001478996827 1070039625 /nfs/dbraw/zinc/03/96/25/1070039625.db2.gz IGEZHPYZLUDZOX-UHFFFAOYSA-N 1 1 428.541 0.439 20 0 ICADMO Cn1ccnc1C(NC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)c1nccn1C ZINC001478996935 1070039867 /nfs/dbraw/zinc/03/98/67/1070039867.db2.gz JPPOFBMNOUTYGE-UHFFFAOYSA-N 1 1 442.568 0.829 20 0 ICADMO 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/nfs/dbraw/zinc/05/29/84/1070052984.db2.gz FAXFRJMISAYAGD-UHFFFAOYSA-N 1 1 425.599 0.805 20 0 ICADMO CNS(=O)(=O)c1ccc(CCNC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)cc1 ZINC001479127541 1070052970 /nfs/dbraw/zinc/05/29/70/1070052970.db2.gz FAXFRJMISAYAGD-UHFFFAOYSA-N 1 1 425.599 0.805 20 0 ICADMO CNS(=O)(=O)c1ccc(CCNC(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC001479129615 1070053545 /nfs/dbraw/zinc/05/35/45/1070053545.db2.gz YREKYOICVVEOCW-IBGZPJMESA-N 1 1 437.610 0.947 20 0 ICADMO CNS(=O)(=O)c1ccc(CCNC(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC001479129615 1070053533 /nfs/dbraw/zinc/05/35/33/1070053533.db2.gz YREKYOICVVEOCW-IBGZPJMESA-N 1 1 437.610 0.947 20 0 ICADMO CNS(=O)(=O)c1ccc(CCNC(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC001479129616 1070053720 /nfs/dbraw/zinc/05/37/20/1070053720.db2.gz YREKYOICVVEOCW-LJQANCHMSA-N 1 1 437.610 0.947 20 0 ICADMO CNS(=O)(=O)c1ccc(CCNC(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC001479129616 1070053693 /nfs/dbraw/zinc/05/36/93/1070053693.db2.gz YREKYOICVVEOCW-LJQANCHMSA-N 1 1 437.610 0.947 20 0 ICADMO CCN1C(=O)[C@@H]2CN(C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4C)CCO3)CCN2C1=O ZINC001479146673 1070058097 /nfs/dbraw/zinc/05/80/97/1070058097.db2.gz NPIVKYUIBIJVNX-MOPGFXCFSA-N 1 1 429.521 0.874 20 0 ICADMO CCN1C(=O)[C@@H]2CN(C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4C)CCO3)CCN2C1=O ZINC001479146673 1070058083 /nfs/dbraw/zinc/05/80/83/1070058083.db2.gz NPIVKYUIBIJVNX-MOPGFXCFSA-N 1 1 429.521 0.874 20 0 ICADMO CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4C)CCO3)CCN2C1=O ZINC001479146674 1070058153 /nfs/dbraw/zinc/05/81/53/1070058153.db2.gz NPIVKYUIBIJVNX-OALUTQOASA-N 1 1 429.521 0.874 20 0 ICADMO CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H]3C[N@H+](Cc4ccccc4C)CCO3)CCN2C1=O ZINC001479146674 1070058138 /nfs/dbraw/zinc/05/81/38/1070058138.db2.gz NPIVKYUIBIJVNX-OALUTQOASA-N 1 1 429.521 0.874 20 0 ICADMO CCN1C(=O)[C@H]2CN(C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4C)CCO3)CCN2C1=O ZINC001479146675 1070058499 /nfs/dbraw/zinc/05/84/99/1070058499.db2.gz NPIVKYUIBIJVNX-RBUKOAKNSA-N 1 1 429.521 0.874 20 0 ICADMO CCN1C(=O)[C@H]2CN(C(=O)NC[C@H]3C[N@H+](Cc4ccccc4C)CCO3)CCN2C1=O ZINC001479146675 1070058484 /nfs/dbraw/zinc/05/84/84/1070058484.db2.gz NPIVKYUIBIJVNX-RBUKOAKNSA-N 1 1 429.521 0.874 20 0 ICADMO CCN1C(=O)[C@H]2CN(C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4C)CCO3)CCN2C1=O ZINC001479146676 1070058323 /nfs/dbraw/zinc/05/83/23/1070058323.db2.gz NPIVKYUIBIJVNX-RTBURBONSA-N 1 1 429.521 0.874 20 0 ICADMO CCN1C(=O)[C@H]2CN(C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4C)CCO3)CCN2C1=O ZINC001479146676 1070058307 /nfs/dbraw/zinc/05/83/07/1070058307.db2.gz NPIVKYUIBIJVNX-RTBURBONSA-N 1 1 429.521 0.874 20 0 ICADMO Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)C1 ZINC001479147989 1070058433 /nfs/dbraw/zinc/05/84/33/1070058433.db2.gz UBHYDYIQSRRTGV-IBGZPJMESA-N 1 1 441.536 0.933 20 0 ICADMO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)C1 ZINC001479147989 1070058410 /nfs/dbraw/zinc/05/84/10/1070058410.db2.gz UBHYDYIQSRRTGV-IBGZPJMESA-N 1 1 441.536 0.933 20 0 ICADMO Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)C1 ZINC001479147990 1070058374 /nfs/dbraw/zinc/05/83/74/1070058374.db2.gz UBHYDYIQSRRTGV-LJQANCHMSA-N 1 1 441.536 0.933 20 0 ICADMO Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)C1 ZINC001479147990 1070058357 /nfs/dbraw/zinc/05/83/57/1070058357.db2.gz UBHYDYIQSRRTGV-LJQANCHMSA-N 1 1 441.536 0.933 20 0 ICADMO COCC(COC)[NH+]1CCN(C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)CC1 ZINC001479153525 1070059189 /nfs/dbraw/zinc/05/91/89/1070059189.db2.gz RNGUNAOXPZHAGK-UHFFFAOYSA-N 1 1 433.509 0.227 20 0 ICADMO O=C(NCc1nc2c(c(=O)[nH]1)COCC2)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC001479155909 1070059758 /nfs/dbraw/zinc/05/97/58/1070059758.db2.gz FEXHOLHLVFTPLM-APWZRJJASA-N 1 1 427.505 0.937 20 0 ICADMO O=C(NCc1nc2c(c(=O)[nH]1)COCC2)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC001479155913 1070059498 /nfs/dbraw/zinc/05/94/98/1070059498.db2.gz FEXHOLHLVFTPLM-LPHOPBHVSA-N 1 1 427.505 0.937 20 0 ICADMO O=C(NCc1nc2c(c(=O)[nH]1)COCC2)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC001479155915 1070059852 /nfs/dbraw/zinc/05/98/52/1070059852.db2.gz FEXHOLHLVFTPLM-QFBILLFUSA-N 1 1 427.505 0.937 20 0 ICADMO O=C(NCc1nc2c(c(=O)[nH]1)COCC2)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC001479155917 1070059648 /nfs/dbraw/zinc/05/96/48/1070059648.db2.gz FEXHOLHLVFTPLM-VQIMIIECSA-N 1 1 427.505 0.937 20 0 ICADMO CC(C)(C)OC(=O)CN1CCCC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)C1=O ZINC001479160445 1070060428 /nfs/dbraw/zinc/06/04/28/1070060428.db2.gz ZSLJTPHTYRSFOO-DLBZAZTESA-N 1 1 426.558 0.855 20 0 ICADMO CC(C)(C)OC(=O)CN1CCCC[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2CCCO)C1=O ZINC001479160446 1070060297 /nfs/dbraw/zinc/06/02/97/1070060297.db2.gz ZSLJTPHTYRSFOO-IAGOWNOFSA-N 1 1 426.558 0.855 20 0 ICADMO CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)C1=O ZINC001479160447 1070060563 /nfs/dbraw/zinc/06/05/63/1070060563.db2.gz ZSLJTPHTYRSFOO-IRXDYDNUSA-N 1 1 426.558 0.855 20 0 ICADMO CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)NC[C@H]2CCC[N@H+]2CCCO)C1=O ZINC001479160448 1070060957 /nfs/dbraw/zinc/06/09/57/1070060957.db2.gz ZSLJTPHTYRSFOO-SJORKVTESA-N 1 1 426.558 0.855 20 0 ICADMO CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001479177133 1070062826 /nfs/dbraw/zinc/06/28/26/1070062826.db2.gz BAPVFISUMSTWCP-LEWJYISDSA-N 1 1 431.581 0.782 20 0 ICADMO CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001479177137 1070062776 /nfs/dbraw/zinc/06/27/76/1070062776.db2.gz BAPVFISUMSTWCP-NHCUHLMSSA-N 1 1 431.581 0.782 20 0 ICADMO CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001479177138 1070062456 /nfs/dbraw/zinc/06/24/56/1070062456.db2.gz BAPVFISUMSTWCP-RTWAWAEBSA-N 1 1 431.581 0.782 20 0 ICADMO CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001479177140 1070062736 /nfs/dbraw/zinc/06/27/36/1070062736.db2.gz BAPVFISUMSTWCP-SFTDATJTSA-N 1 1 431.581 0.782 20 0 ICADMO COc1cc(OC)cc([C@H](O)CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1 ZINC001479177356 1070062187 /nfs/dbraw/zinc/06/21/87/1070062187.db2.gz FRXAMUPUJMPSJC-GHTZIAJQSA-N 1 1 436.553 0.833 20 0 ICADMO COc1cc(OC)cc([C@@H](O)CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1 ZINC001479177358 1070062404 /nfs/dbraw/zinc/06/24/04/1070062404.db2.gz FRXAMUPUJMPSJC-NQIIRXRSSA-N 1 1 436.553 0.833 20 0 ICADMO COc1cc(OC)cc([C@@H](O)CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1 ZINC001479177360 1070062311 /nfs/dbraw/zinc/06/23/11/1070062311.db2.gz FRXAMUPUJMPSJC-RXVVDRJESA-N 1 1 436.553 0.833 20 0 ICADMO COc1cc(OC)cc([C@H](O)CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1 ZINC001479177362 1070062578 /nfs/dbraw/zinc/06/25/78/1070062578.db2.gz FRXAMUPUJMPSJC-WIYYLYMNSA-N 1 1 436.553 0.833 20 0 ICADMO CC(C)CN1C[C@@H]2CN(C(=O)N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)CCN2C1=O ZINC001479177801 1070062533 /nfs/dbraw/zinc/06/25/33/1070062533.db2.gz CMQFEMJGMDBXES-PMACEKPBSA-N 1 1 436.601 0.570 20 0 ICADMO CC(C)CN1C[C@@H]2CN(C(=O)N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)CCN2C1=O ZINC001479177803 1070062361 /nfs/dbraw/zinc/06/23/61/1070062361.db2.gz CMQFEMJGMDBXES-UXHICEINSA-N 1 1 436.601 0.570 20 0 ICADMO CC(C)CN1C[C@H]2CN(C(=O)N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)CCN2C1=O ZINC001479177806 1070062666 /nfs/dbraw/zinc/06/26/66/1070062666.db2.gz CMQFEMJGMDBXES-VQTJNVASSA-N 1 1 436.601 0.570 20 0 ICADMO CC(C)CN1C[C@H]2CN(C(=O)N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)CCN2C1=O ZINC001479177807 1070062224 /nfs/dbraw/zinc/06/22/24/1070062224.db2.gz CMQFEMJGMDBXES-WOJBJXKFSA-N 1 1 436.601 0.570 20 0 ICADMO O=C(NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001479177828 1070063439 /nfs/dbraw/zinc/06/34/39/1070063439.db2.gz CWCKZVVOWBZLHP-HRVKUGKESA-N 1 1 428.599 0.438 20 0 ICADMO O=C(NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001479177829 1070063784 /nfs/dbraw/zinc/06/37/84/1070063784.db2.gz CWCKZVVOWBZLHP-MSRNWOCLSA-N 1 1 428.599 0.438 20 0 ICADMO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001479178073 1070063606 /nfs/dbraw/zinc/06/36/06/1070063606.db2.gz GHJHRULBBGXCPM-CRAIPNDOSA-N 1 1 436.475 0.920 20 0 ICADMO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001479178075 1070063261 /nfs/dbraw/zinc/06/32/61/1070063261.db2.gz GHJHRULBBGXCPM-MAUKXSAKSA-N 1 1 436.475 0.920 20 0 ICADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001479178077 1070063834 /nfs/dbraw/zinc/06/38/34/1070063834.db2.gz GHJHRULBBGXCPM-QAPCUYQASA-N 1 1 436.475 0.920 20 0 ICADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001479178079 1070063549 /nfs/dbraw/zinc/06/35/49/1070063549.db2.gz GHJHRULBBGXCPM-YJBOKZPZSA-N 1 1 436.475 0.920 20 0 ICADMO O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CCN(C(=O)c2ccccn2)CC1 ZINC001479178316 1070063508 /nfs/dbraw/zinc/06/35/08/1070063508.db2.gz RBNPXBVKLATFGC-IBGZPJMESA-N 1 1 430.553 0.346 20 0 ICADMO O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CCN(C(=O)c2ccccn2)CC1 ZINC001479178318 1070063172 /nfs/dbraw/zinc/06/31/72/1070063172.db2.gz RBNPXBVKLATFGC-LJQANCHMSA-N 1 1 430.553 0.346 20 0 ICADMO COc1ccc(CNC(=O)CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC001479178541 1070063393 /nfs/dbraw/zinc/06/33/93/1070063393.db2.gz XQWVBELQGWBTHM-IBGZPJMESA-N 1 1 433.553 0.407 20 0 ICADMO COc1ccc(CNC(=O)CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC001479178542 1070063301 /nfs/dbraw/zinc/06/33/01/1070063301.db2.gz XQWVBELQGWBTHM-LJQANCHMSA-N 1 1 433.553 0.407 20 0 ICADMO O=C(Cc1ccccc1)N1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001479178684 1070063124 /nfs/dbraw/zinc/06/31/24/1070063124.db2.gz OBHRUYJNQYOFOM-JOCHJYFZSA-N 1 1 443.592 0.880 20 0 ICADMO O=C(Cc1ccccc1)N1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001479178685 1070063750 /nfs/dbraw/zinc/06/37/50/1070063750.db2.gz OBHRUYJNQYOFOM-QFIPXVFZSA-N 1 1 443.592 0.880 20 0 ICADMO COC(=O)C1CC2(C1)C[C@@H](NC(=O)N[C@H]1CCC[N@@H+](CCN3CCOCC3)C1)CCO2 ZINC001479179122 1070063660 /nfs/dbraw/zinc/06/36/60/1070063660.db2.gz SRPLLMWPZWCAMB-DBAFAGGRSA-N 1 1 438.569 0.583 20 0 ICADMO COC(=O)C1CC2(C1)C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](CCN3CCOCC3)C1)CCO2 ZINC001479179123 1070063344 /nfs/dbraw/zinc/06/33/44/1070063344.db2.gz SRPLLMWPZWCAMB-IDPGXWOASA-N 1 1 438.569 0.583 20 0 ICADMO COC(=O)C1CC2(C1)C[C@H](NC(=O)N[C@H]1CCC[N@@H+](CCN3CCOCC3)C1)CCO2 ZINC001479179124 1070063224 /nfs/dbraw/zinc/06/32/24/1070063224.db2.gz SRPLLMWPZWCAMB-KLOMGHIOSA-N 1 1 438.569 0.583 20 0 ICADMO COC(=O)C1CC2(C1)C[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](CCN3CCOCC3)C1)CCO2 ZINC001479179125 1070063713 /nfs/dbraw/zinc/06/37/13/1070063713.db2.gz SRPLLMWPZWCAMB-LECRGTDLSA-N 1 1 438.569 0.583 20 0 ICADMO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)NC[C@@]1(CO)COC[C@@H]2CCCN21 ZINC001479187251 1070064267 /nfs/dbraw/zinc/06/42/67/1070064267.db2.gz NKJBKJIGPZZSLZ-JTHBVZDNSA-N 1 1 446.592 0.929 20 0 ICADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)NCc3cn(C4CC4)c(=O)[nH]c3=O)CC2)CC1 ZINC001479188100 1070064367 /nfs/dbraw/zinc/06/43/67/1070064367.db2.gz IPUYIBRYIAYABR-UHFFFAOYSA-N 1 1 432.525 0.370 20 0 ICADMO C[C@@H]1C[N@H+](Cc2ccc(CN(C)C(=O)NCc3nnc4n3CCNC4=O)cc2)C[C@H](C)O1 ZINC001479191400 1070065399 /nfs/dbraw/zinc/06/53/99/1070065399.db2.gz QAYLWAQLGGTJKI-IYBDPMFKSA-N 1 1 441.536 0.972 20 0 ICADMO O=C(NCc1nnc2n1CCNC2=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001479191422 1070065515 /nfs/dbraw/zinc/06/55/15/1070065515.db2.gz QOGJXOMKJQJVGD-ZIAGYGMSSA-N 1 1 437.426 0.884 20 0 ICADMO O=C(NCc1nnc2n1CCNC2=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001479191422 1070065501 /nfs/dbraw/zinc/06/55/01/1070065501.db2.gz QOGJXOMKJQJVGD-ZIAGYGMSSA-N 1 1 437.426 0.884 20 0 ICADMO C[C@@H]1CN(C(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)[C@@H](C)C[N@H+]1CCO ZINC001479248502 1070068202 /nfs/dbraw/zinc/06/82/02/1070068202.db2.gz HZBQBQKEMJLKKO-CABCVRRESA-N 1 1 437.545 0.666 20 0 ICADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC001479248510 1070067820 /nfs/dbraw/zinc/06/78/20/1070067820.db2.gz HZBQBQKEMJLKKO-GJZGRUSLSA-N 1 1 437.545 0.666 20 0 ICADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC001479248518 1070068302 /nfs/dbraw/zinc/06/83/02/1070068302.db2.gz HZBQBQKEMJLKKO-HUUCEWRRSA-N 1 1 437.545 0.666 20 0 ICADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC001479248521 1070067990 /nfs/dbraw/zinc/06/79/90/1070067990.db2.gz HZBQBQKEMJLKKO-LSDHHAIUSA-N 1 1 437.545 0.666 20 0 ICADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC001479279304 1070069789 /nfs/dbraw/zinc/06/97/89/1070069789.db2.gz NUVOIFDZOAZKLR-KRWDZBQOSA-N 1 1 433.553 0.248 20 0 ICADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC001479279305 1070069463 /nfs/dbraw/zinc/06/94/63/1070069463.db2.gz NUVOIFDZOAZKLR-QGZVFWFLSA-N 1 1 433.553 0.248 20 0 ICADMO CCN1CC[NH+](CC(C)(C)NC(=O)NCC(=O)NCC(=O)N(C)Cc2ccccc2)CC1 ZINC001479279634 1070069730 /nfs/dbraw/zinc/06/97/30/1070069730.db2.gz SIJIKFALIDQSEP-UHFFFAOYSA-N 1 1 446.596 0.477 20 0 ICADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC(=O)NCC(=O)NCc1ccccc1 ZINC001479284336 1070071183 /nfs/dbraw/zinc/07/11/83/1070071183.db2.gz SGOOEBWQJKNLPW-QGZVFWFLSA-N 1 1 431.537 0.314 20 0 ICADMO C[N@H+]1C[C@@H]2CCN(C(=O)NCC[C@@H]3CN(C(=O)OC(C)(C)C)CCS3(=O)=O)[C@@H]2C1 ZINC001479291748 1070072954 /nfs/dbraw/zinc/07/29/54/1070072954.db2.gz SINPCIHCXZLWDN-ARFHVFGLSA-N 1 1 430.571 0.756 20 0 ICADMO C[N@@H+]1C[C@@H]2CCN(C(=O)NCC[C@@H]3CN(C(=O)OC(C)(C)C)CCS3(=O)=O)[C@@H]2C1 ZINC001479291748 1070072936 /nfs/dbraw/zinc/07/29/36/1070072936.db2.gz SINPCIHCXZLWDN-ARFHVFGLSA-N 1 1 430.571 0.756 20 0 ICADMO C[N@H+]1C[C@@H]2CCN(C(=O)NCC[C@H]3CN(C(=O)OC(C)(C)C)CCS3(=O)=O)[C@@H]2C1 ZINC001479291749 1070073046 /nfs/dbraw/zinc/07/30/46/1070073046.db2.gz SINPCIHCXZLWDN-HRCADAONSA-N 1 1 430.571 0.756 20 0 ICADMO C[N@@H+]1C[C@@H]2CCN(C(=O)NCC[C@H]3CN(C(=O)OC(C)(C)C)CCS3(=O)=O)[C@@H]2C1 ZINC001479291749 1070073029 /nfs/dbraw/zinc/07/30/29/1070073029.db2.gz SINPCIHCXZLWDN-HRCADAONSA-N 1 1 430.571 0.756 20 0 ICADMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 ZINC001479291750 1070073119 /nfs/dbraw/zinc/07/31/19/1070073119.db2.gz SINPCIHCXZLWDN-JYJNAYRXSA-N 1 1 430.571 0.756 20 0 ICADMO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 ZINC001479291750 1070073099 /nfs/dbraw/zinc/07/30/99/1070073099.db2.gz SINPCIHCXZLWDN-JYJNAYRXSA-N 1 1 430.571 0.756 20 0 ICADMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 ZINC001479291751 1070072881 /nfs/dbraw/zinc/07/28/81/1070072881.db2.gz SINPCIHCXZLWDN-XHSDSOJGSA-N 1 1 430.571 0.756 20 0 ICADMO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 ZINC001479291751 1070072861 /nfs/dbraw/zinc/07/28/61/1070072861.db2.gz SINPCIHCXZLWDN-XHSDSOJGSA-N 1 1 430.571 0.756 20 0 ICADMO COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC001479315217 1070074869 /nfs/dbraw/zinc/07/48/69/1070074869.db2.gz AYFHBAONYSJOQX-BZSNNMDCSA-N 1 1 427.615 0.435 20 0 ICADMO COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC001479315223 1070075299 /nfs/dbraw/zinc/07/52/99/1070075299.db2.gz AYFHBAONYSJOQX-KSZLIROESA-N 1 1 427.615 0.435 20 0 ICADMO COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC001479315227 1070075120 /nfs/dbraw/zinc/07/51/20/1070075120.db2.gz AYFHBAONYSJOQX-OKZBNKHCSA-N 1 1 427.615 0.435 20 0 ICADMO COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC001479315232 1070074811 /nfs/dbraw/zinc/07/48/11/1070074811.db2.gz AYFHBAONYSJOQX-RCCFBDPRSA-N 1 1 427.615 0.435 20 0 ICADMO NS(=O)(=O)c1ccc(N2CCN(C(=O)N[C@@H]3CCC[N@H+]4CCSC[C@@H]34)CC2)cc1 ZINC001479316625 1070074988 /nfs/dbraw/zinc/07/49/88/1070074988.db2.gz GMNAWZAVSRQQEB-MSOLQXFVSA-N 1 1 439.607 0.745 20 0 ICADMO NS(=O)(=O)c1ccc(N2CCN(C(=O)N[C@@H]3CCC[N@H+]4CCSC[C@H]34)CC2)cc1 ZINC001479316630 1070074727 /nfs/dbraw/zinc/07/47/27/1070074727.db2.gz GMNAWZAVSRQQEB-QZTJIDSGSA-N 1 1 439.607 0.745 20 0 ICADMO NS(=O)(=O)c1ccc(N2CCN(C(=O)N[C@H]3CCC[N@H+]4CCSC[C@@H]34)CC2)cc1 ZINC001479316635 1070075242 /nfs/dbraw/zinc/07/52/42/1070075242.db2.gz GMNAWZAVSRQQEB-ROUUACIJSA-N 1 1 439.607 0.745 20 0 ICADMO NS(=O)(=O)c1ccc(N2CCN(C(=O)N[C@H]3CCC[N@H+]4CCSC[C@H]34)CC2)cc1 ZINC001479316638 1070075381 /nfs/dbraw/zinc/07/53/81/1070075381.db2.gz GMNAWZAVSRQQEB-ZWKOTPCHSA-N 1 1 439.607 0.745 20 0 ICADMO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCS(=O)(=O)N=S(C)(C)=O ZINC001479357194 1070077901 /nfs/dbraw/zinc/07/79/01/1070077901.db2.gz JUEROLQRXZNOGU-HNNXBMFYSA-N 1 1 425.621 0.101 20 0 ICADMO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCS(=O)(=O)N=S(C)(C)=O ZINC001479357195 1070078764 /nfs/dbraw/zinc/07/87/64/1070078764.db2.gz JUEROLQRXZNOGU-OAHLLOKOSA-N 1 1 425.621 0.101 20 0 ICADMO CN(C(=O)NCCS(=O)(=O)N=S(C)(C)=O)C1CC[NH+](CCc2ccccn2)CC1 ZINC001479357862 1070078639 /nfs/dbraw/zinc/07/86/39/1070078639.db2.gz RYFUDMXEJONCAZ-UHFFFAOYSA-N 1 1 445.611 0.787 20 0 ICADMO C[C@H]1[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC[N@H+]1C ZINC001479374462 1070079949 /nfs/dbraw/zinc/07/99/49/1070079949.db2.gz CUGQPLUXVASEFJ-DZGCQCFKSA-N 1 1 437.522 0.126 20 0 ICADMO C[C@@H]1[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC[N@H+]1C ZINC001479374465 1070080040 /nfs/dbraw/zinc/08/00/40/1070080040.db2.gz CUGQPLUXVASEFJ-HIFRSBDPSA-N 1 1 437.522 0.126 20 0 ICADMO C[C@@H]1[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC[N@H+]1C ZINC001479374466 1070079821 /nfs/dbraw/zinc/07/98/21/1070079821.db2.gz CUGQPLUXVASEFJ-UKRRQHHQSA-N 1 1 437.522 0.126 20 0 ICADMO C[C@H]1[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC[N@H+]1C ZINC001479374467 1070079557 /nfs/dbraw/zinc/07/95/57/1070079557.db2.gz CUGQPLUXVASEFJ-ZFWWWQNUSA-N 1 1 437.522 0.126 20 0 ICADMO CC(C)(C)OC(=O)N1CCN(CCNC(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001479391578 1070081841 /nfs/dbraw/zinc/08/18/41/1070081841.db2.gz GMOSYECIARAQCJ-UHFFFAOYSA-N 1 1 427.546 0.287 20 0 ICADMO CC(C)(C)OC(=O)N1CCN(CCNC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001479391578 1070081818 /nfs/dbraw/zinc/08/18/18/1070081818.db2.gz GMOSYECIARAQCJ-UHFFFAOYSA-N 1 1 427.546 0.287 20 0 ICADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCCN3CCC4(C3)OCCO4)CC2)CC1 ZINC001479391685 1070081670 /nfs/dbraw/zinc/08/16/70/1070081670.db2.gz GXLADVHXFDSQAL-UHFFFAOYSA-N 1 1 437.585 0.411 20 0 ICADMO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)NCC[N@H+]2CCC3(C2)OCCO3)s1 ZINC001479391768 1070082100 /nfs/dbraw/zinc/08/21/00/1070082100.db2.gz JMSNEQVACFQIMM-CHWSQXEVSA-N 1 1 426.543 0.812 20 0 ICADMO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)s1 ZINC001479391768 1070082083 /nfs/dbraw/zinc/08/20/83/1070082083.db2.gz JMSNEQVACFQIMM-CHWSQXEVSA-N 1 1 426.543 0.812 20 0 ICADMO CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)NCC[N@H+]2CCC3(C2)OCCO3)s1 ZINC001479391769 1070081511 /nfs/dbraw/zinc/08/15/11/1070081511.db2.gz JMSNEQVACFQIMM-OLZOCXBDSA-N 1 1 426.543 0.812 20 0 ICADMO CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)s1 ZINC001479391769 1070081493 /nfs/dbraw/zinc/08/14/93/1070081493.db2.gz JMSNEQVACFQIMM-OLZOCXBDSA-N 1 1 426.543 0.812 20 0 ICADMO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)NCC[N@H+]2CCC3(C2)OCCO3)s1 ZINC001479391770 1070082346 /nfs/dbraw/zinc/08/23/46/1070082346.db2.gz JMSNEQVACFQIMM-QWHCGFSZSA-N 1 1 426.543 0.812 20 0 ICADMO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)s1 ZINC001479391770 1070082331 /nfs/dbraw/zinc/08/23/31/1070082331.db2.gz JMSNEQVACFQIMM-QWHCGFSZSA-N 1 1 426.543 0.812 20 0 ICADMO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)NCC[N@H+]2CCC3(C2)OCCO3)s1 ZINC001479391771 1070082786 /nfs/dbraw/zinc/08/27/86/1070082786.db2.gz JMSNEQVACFQIMM-STQMWFEESA-N 1 1 426.543 0.812 20 0 ICADMO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)s1 ZINC001479391771 1070082771 /nfs/dbraw/zinc/08/27/71/1070082771.db2.gz JMSNEQVACFQIMM-STQMWFEESA-N 1 1 426.543 0.812 20 0 ICADMO COc1cc(OC)cc(N2CC[C@@H](NC(=O)NCC[N@H+]3CCC4(C3)OCCO4)C2=O)c1 ZINC001479391889 1070082734 /nfs/dbraw/zinc/08/27/34/1070082734.db2.gz KDFYRWBIOCIZED-GOSISDBHSA-N 1 1 434.493 0.557 20 0 ICADMO COc1cc(OC)cc(N2CC[C@@H](NC(=O)NCC[N@@H+]3CCC4(C3)OCCO4)C2=O)c1 ZINC001479391889 1070082718 /nfs/dbraw/zinc/08/27/18/1070082718.db2.gz KDFYRWBIOCIZED-GOSISDBHSA-N 1 1 434.493 0.557 20 0 ICADMO COc1cc(OC)cc(N2CC[C@H](NC(=O)NCC[N@H+]3CCC4(C3)OCCO4)C2=O)c1 ZINC001479391890 1070082581 /nfs/dbraw/zinc/08/25/81/1070082581.db2.gz KDFYRWBIOCIZED-SFHVURJKSA-N 1 1 434.493 0.557 20 0 ICADMO COc1cc(OC)cc(N2CC[C@H](NC(=O)NCC[N@@H+]3CCC4(C3)OCCO4)C2=O)c1 ZINC001479391890 1070082571 /nfs/dbraw/zinc/08/25/71/1070082571.db2.gz KDFYRWBIOCIZED-SFHVURJKSA-N 1 1 434.493 0.557 20 0 ICADMO CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001479391900 1070083176 /nfs/dbraw/zinc/08/31/76/1070083176.db2.gz KLFBCGGNOAODIE-IBGZPJMESA-N 1 1 428.530 0.760 20 0 ICADMO CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001479391900 1070083165 /nfs/dbraw/zinc/08/31/65/1070083165.db2.gz KLFBCGGNOAODIE-IBGZPJMESA-N 1 1 428.530 0.760 20 0 ICADMO CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001479391901 1070082545 /nfs/dbraw/zinc/08/25/45/1070082545.db2.gz KLFBCGGNOAODIE-LJQANCHMSA-N 1 1 428.530 0.760 20 0 ICADMO CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001479391901 1070082523 /nfs/dbraw/zinc/08/25/23/1070082523.db2.gz KLFBCGGNOAODIE-LJQANCHMSA-N 1 1 428.530 0.760 20 0 ICADMO O=C(NCCNC(=O)c1ccc(Br)cc1)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001479392216 1070082399 /nfs/dbraw/zinc/08/23/99/1070082399.db2.gz OIPZPBGHBAOCPM-UHFFFAOYSA-N 1 1 441.326 0.927 20 0 ICADMO O=C(NCCNC(=O)c1ccc(Br)cc1)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001479392216 1070082386 /nfs/dbraw/zinc/08/23/86/1070082386.db2.gz OIPZPBGHBAOCPM-UHFFFAOYSA-N 1 1 441.326 0.927 20 0 ICADMO CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1=O ZINC001479392471 1070083141 /nfs/dbraw/zinc/08/31/41/1070083141.db2.gz PVKLAQUFTAUYPI-INIZCTEOSA-N 1 1 440.541 0.457 20 0 ICADMO CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1=O ZINC001479392471 1070083128 /nfs/dbraw/zinc/08/31/28/1070083128.db2.gz PVKLAQUFTAUYPI-INIZCTEOSA-N 1 1 440.541 0.457 20 0 ICADMO CC(C)(C)OC(=O)CN1CCCC[C@@H](NC(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1=O ZINC001479392472 1070082950 /nfs/dbraw/zinc/08/29/50/1070082950.db2.gz PVKLAQUFTAUYPI-MRXNPFEDSA-N 1 1 440.541 0.457 20 0 ICADMO CC(C)(C)OC(=O)CN1CCCC[C@@H](NC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1=O ZINC001479392472 1070082929 /nfs/dbraw/zinc/08/29/29/1070082929.db2.gz PVKLAQUFTAUYPI-MRXNPFEDSA-N 1 1 440.541 0.457 20 0 ICADMO CC(=O)N1CCN(c2ccccc2CNC(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001479392494 1070082502 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CXYKRTSMFLEVAP-FQEVSTJZSA-N 1 1 440.548 0.941 20 0 ICADMO O=C(NCCCn1ccc(=O)[nH]c1=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001479531417 1070091809 /nfs/dbraw/zinc/09/18/09/1070091809.db2.gz CXYKRTSMFLEVAP-HXUWFJFHSA-N 1 1 440.548 0.941 20 0 ICADMO COC(=O)CC[N@H+]1CCN(C(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)[C@@H](C)C1 ZINC001479544920 1070092233 /nfs/dbraw/zinc/09/22/33/1070092233.db2.gz OEFMPVZDQZPAIQ-HNNXBMFYSA-N 1 1 426.539 0.861 20 0 ICADMO COC(=O)CC[N@@H+]1CCN(C(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)[C@@H](C)C1 ZINC001479544920 1070092219 /nfs/dbraw/zinc/09/22/19/1070092219.db2.gz OEFMPVZDQZPAIQ-HNNXBMFYSA-N 1 1 426.539 0.861 20 0 ICADMO COC(=O)CC[N@H+]1CCN(C(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)[C@H](C)C1 ZINC001479544921 1070093101 /nfs/dbraw/zinc/09/31/01/1070093101.db2.gz OEFMPVZDQZPAIQ-OAHLLOKOSA-N 1 1 426.539 0.861 20 0 ICADMO COC(=O)CC[N@@H+]1CCN(C(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)[C@H](C)C1 ZINC001479544921 1070093084 /nfs/dbraw/zinc/09/30/84/1070093084.db2.gz OEFMPVZDQZPAIQ-OAHLLOKOSA-N 1 1 426.539 0.861 20 0 ICADMO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)N[C@H]1CCc2ncc(Br)n2C1 ZINC001479588173 1070095561 /nfs/dbraw/zinc/09/55/61/1070095561.db2.gz VJQKCEBHFOOTFL-GDZNZVCISA-N 1 1 428.331 0.485 20 0 ICADMO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)N[C@@H]1CCc2ncc(Br)n2C1 ZINC001479588176 1070094864 /nfs/dbraw/zinc/09/48/64/1070094864.db2.gz VJQKCEBHFOOTFL-IIYDPXPESA-N 1 1 428.331 0.485 20 0 ICADMO C[C@@H](NC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001479593887 1070095335 /nfs/dbraw/zinc/09/53/35/1070095335.db2.gz BXYDEAYSETZDPK-APWZRJJASA-N 1 1 438.598 0.524 20 0 ICADMO C[C@H](NC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001479593888 1070095471 /nfs/dbraw/zinc/09/54/71/1070095471.db2.gz BXYDEAYSETZDPK-LPHOPBHVSA-N 1 1 438.598 0.524 20 0 ICADMO C[C@H](NC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001479593889 1070095111 /nfs/dbraw/zinc/09/51/11/1070095111.db2.gz BXYDEAYSETZDPK-QFBILLFUSA-N 1 1 438.598 0.524 20 0 ICADMO C[C@@H](NC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001479593890 1070095221 /nfs/dbraw/zinc/09/52/21/1070095221.db2.gz BXYDEAYSETZDPK-VQIMIIECSA-N 1 1 438.598 0.524 20 0 ICADMO C[C@H](NC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001479594993 1070094919 /nfs/dbraw/zinc/09/49/19/1070094919.db2.gz IHQYLGJJDYVUJE-GHTZIAJQSA-N 1 1 428.581 0.537 20 0 ICADMO C[C@@H](NC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001479594994 1070095043 /nfs/dbraw/zinc/09/50/43/1070095043.db2.gz IHQYLGJJDYVUJE-NQIIRXRSSA-N 1 1 428.581 0.537 20 0 ICADMO C[C@H](NC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001479594996 1070095623 /nfs/dbraw/zinc/09/56/23/1070095623.db2.gz IHQYLGJJDYVUJE-RXVVDRJESA-N 1 1 428.581 0.537 20 0 ICADMO C[C@@H](NC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001479594999 1070094986 /nfs/dbraw/zinc/09/49/86/1070094986.db2.gz IHQYLGJJDYVUJE-WIYYLYMNSA-N 1 1 428.581 0.537 20 0 ICADMO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001479596445 1070096149 /nfs/dbraw/zinc/09/61/49/1070096149.db2.gz LZGSOOZMBBLLRJ-MSOLQXFVSA-N 1 1 432.635 0.315 20 0 ICADMO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001479596446 1070096432 /nfs/dbraw/zinc/09/64/32/1070096432.db2.gz LZGSOOZMBBLLRJ-QZTJIDSGSA-N 1 1 432.635 0.315 20 0 ICADMO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001479596447 1070096876 /nfs/dbraw/zinc/09/68/76/1070096876.db2.gz LZGSOOZMBBLLRJ-ROUUACIJSA-N 1 1 432.635 0.315 20 0 ICADMO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001479596448 1070096014 /nfs/dbraw/zinc/09/60/14/1070096014.db2.gz LZGSOOZMBBLLRJ-ZWKOTPCHSA-N 1 1 432.635 0.315 20 0 ICADMO C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001479597175 1070095914 /nfs/dbraw/zinc/09/59/14/1070095914.db2.gz PAFUGPJCAUOAAX-DOTOQJQBSA-N 1 1 444.001 0.990 20 0 ICADMO C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001479597176 1070096358 /nfs/dbraw/zinc/09/63/58/1070096358.db2.gz PAFUGPJCAUOAAX-NVXWUHKLSA-N 1 1 444.001 0.990 20 0 ICADMO C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001479597365 1070096226 /nfs/dbraw/zinc/09/62/26/1070096226.db2.gz PAFUGPJCAUOAAX-RDJZCZTQSA-N 1 1 444.001 0.990 20 0 ICADMO C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001479597370 1070096714 /nfs/dbraw/zinc/09/67/14/1070096714.db2.gz PAFUGPJCAUOAAX-WBVHZDCISA-N 1 1 444.001 0.990 20 0 ICADMO C[C@@H](NC(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001479598444 1070096284 /nfs/dbraw/zinc/09/62/84/1070096284.db2.gz WIFRJFVIQHURQQ-APWZRJJASA-N 1 1 427.553 0.797 20 0 ICADMO C[C@H](NC(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001479598445 1070096605 /nfs/dbraw/zinc/09/66/05/1070096605.db2.gz WIFRJFVIQHURQQ-LPHOPBHVSA-N 1 1 427.553 0.797 20 0 ICADMO 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C[C@H]1C(=O)N(C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CC[NH+]1CCSCC1 ZINC001493165049 1070103329 /nfs/dbraw/zinc/10/33/29/1070103329.db2.gz FWAUBGFYBHBORX-HNNXBMFYSA-N 1 1 444.565 0.641 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CC[NH+]1CCSCC1 ZINC001493165054 1070103356 /nfs/dbraw/zinc/10/33/56/1070103356.db2.gz FWAUBGFYBHBORX-OAHLLOKOSA-N 1 1 444.565 0.641 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cnccn2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001493177645 1070105137 /nfs/dbraw/zinc/10/51/37/1070105137.db2.gz CERIMLFHYXOMJY-DLBZAZTESA-N 1 1 428.541 0.639 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cnccn2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001493177646 1070105190 /nfs/dbraw/zinc/10/51/90/1070105190.db2.gz CERIMLFHYXOMJY-IAGOWNOFSA-N 1 1 428.541 0.639 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cnccn2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001493177647 1070105248 /nfs/dbraw/zinc/10/52/48/1070105248.db2.gz CERIMLFHYXOMJY-IRXDYDNUSA-N 1 1 428.541 0.639 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cnccn2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001493177648 1070105106 /nfs/dbraw/zinc/10/51/06/1070105106.db2.gz CERIMLFHYXOMJY-SJORKVTESA-N 1 1 428.541 0.639 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCC(=O)N2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001493180274 1070106112 /nfs/dbraw/zinc/10/61/12/1070106112.db2.gz NVOXNDQWOMKMPE-BRWVUGGUSA-N 1 1 433.557 0.133 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001493180277 1070106162 /nfs/dbraw/zinc/10/61/62/1070106162.db2.gz NVOXNDQWOMKMPE-IKGGRYGDSA-N 1 1 433.557 0.133 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCC(=O)N2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001493180279 1070106146 /nfs/dbraw/zinc/10/61/46/1070106146.db2.gz NVOXNDQWOMKMPE-IXDOHACOSA-N 1 1 433.557 0.133 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001493180282 1070106192 /nfs/dbraw/zinc/10/61/92/1070106192.db2.gz NVOXNDQWOMKMPE-ZACQAIPSSA-N 1 1 433.557 0.133 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(CN2CCCC2=O)n1CC(C)(C)[NH+]1CCOCC1 ZINC001493193660 1070108460 /nfs/dbraw/zinc/10/84/60/1070108460.db2.gz SAQQOMSDKPWCSQ-INIZCTEOSA-N 1 1 433.557 0.178 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(CN2CCCC2=O)n1CC(C)(C)[NH+]1CCOCC1 ZINC001493193663 1070108359 /nfs/dbraw/zinc/10/83/59/1070108359.db2.gz SAQQOMSDKPWCSQ-MRXNPFEDSA-N 1 1 433.557 0.178 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(CCOc2ccccc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001493194911 1070108492 /nfs/dbraw/zinc/10/84/92/1070108492.db2.gz ZQHRMPWAPUQXER-HTAPYJJXSA-N 1 1 428.537 0.633 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(CCOc2ccccc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001493194914 1070108595 /nfs/dbraw/zinc/10/85/95/1070108595.db2.gz ZQHRMPWAPUQXER-JTSKRJEESA-N 1 1 428.537 0.633 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(CCOc2ccccc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001493194916 1070108574 /nfs/dbraw/zinc/10/85/74/1070108574.db2.gz ZQHRMPWAPUQXER-VGOFRKELSA-N 1 1 428.537 0.633 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(CCOc2ccccc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001493194919 1070108632 /nfs/dbraw/zinc/10/86/32/1070108632.db2.gz ZQHRMPWAPUQXER-VGSWGCGISA-N 1 1 428.537 0.633 20 0 ICADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(C3CC3)n2CCNS(C)(=O)=O)CC1 ZINC001493435628 1070112870 /nfs/dbraw/zinc/11/28/70/1070112870.db2.gz CGOQMDQCFQSJQA-CALCHBBNSA-N 1 1 439.630 0.700 20 0 ICADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001493665686 1070114696 /nfs/dbraw/zinc/11/46/96/1070114696.db2.gz FXFJNKNZVBQXHP-BRWVUGGUSA-N 1 1 438.598 0.756 20 0 ICADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001493665690 1070114410 /nfs/dbraw/zinc/11/44/10/1070114410.db2.gz FXFJNKNZVBQXHP-IKGGRYGDSA-N 1 1 438.598 0.756 20 0 ICADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001493665694 1070114454 /nfs/dbraw/zinc/11/44/54/1070114454.db2.gz FXFJNKNZVBQXHP-IXDOHACOSA-N 1 1 438.598 0.756 20 0 ICADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001493665698 1070114653 /nfs/dbraw/zinc/11/46/53/1070114653.db2.gz FXFJNKNZVBQXHP-ZACQAIPSSA-N 1 1 438.598 0.756 20 0 ICADMO CC(C)NC(=O)c1nnc(N(C)CC(=O)N2CCOCC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001493795699 1070116410 /nfs/dbraw/zinc/11/64/10/1070116410.db2.gz FWLRMVVXRGZWMQ-KRWDZBQOSA-N 1 1 435.573 0.443 20 0 ICADMO CC(C)NC(=O)c1nnc(N(C)CC(=O)N2CCOCC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001493795700 1070116487 /nfs/dbraw/zinc/11/64/87/1070116487.db2.gz FWLRMVVXRGZWMQ-QGZVFWFLSA-N 1 1 435.573 0.443 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCC(OCC(N)=O)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001493795829 1070116380 /nfs/dbraw/zinc/11/63/80/1070116380.db2.gz HWDBLDDTUQAXGT-INIZCTEOSA-N 1 1 435.573 0.619 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCC(OCC(N)=O)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001493795830 1070116439 /nfs/dbraw/zinc/11/64/39/1070116439.db2.gz HWDBLDDTUQAXGT-MRXNPFEDSA-N 1 1 435.573 0.619 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001493796207 1070116097 /nfs/dbraw/zinc/11/60/97/1070116097.db2.gz KITNWRQUAVZEII-HZMVEIRTSA-N 1 1 428.603 0.827 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001493796209 1070116269 /nfs/dbraw/zinc/11/62/69/1070116269.db2.gz KITNWRQUAVZEII-NCOADZHNSA-N 1 1 428.603 0.827 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001493796211 1070116502 /nfs/dbraw/zinc/11/65/02/1070116502.db2.gz KITNWRQUAVZEII-VQHPVUNQSA-N 1 1 428.603 0.827 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001493796214 1070116133 /nfs/dbraw/zinc/11/61/33/1070116133.db2.gz KITNWRQUAVZEII-YVSFHVDLSA-N 1 1 428.603 0.827 20 0 ICADMO C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001493804434 1070116340 /nfs/dbraw/zinc/11/63/40/1070116340.db2.gz FWHDQDYODJLDMA-BRWVUGGUSA-N 1 1 438.598 0.579 20 0 ICADMO C[C@@H]1CCC[N@@H+](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001493804436 1070116227 /nfs/dbraw/zinc/11/62/27/1070116227.db2.gz FWHDQDYODJLDMA-IKGGRYGDSA-N 1 1 438.598 0.579 20 0 ICADMO C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001493804438 1070116166 /nfs/dbraw/zinc/11/61/66/1070116166.db2.gz FWHDQDYODJLDMA-IXDOHACOSA-N 1 1 438.598 0.579 20 0 ICADMO C[C@@H]1CCC[N@@H+](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001493804440 1070116463 /nfs/dbraw/zinc/11/64/63/1070116463.db2.gz FWHDQDYODJLDMA-ZACQAIPSSA-N 1 1 438.598 0.579 20 0 ICADMO CC(C)NC(=O)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001493805842 1070116301 /nfs/dbraw/zinc/11/63/01/1070116301.db2.gz NMRVIRGAOUPNNI-DLBZAZTESA-N 1 1 440.614 0.873 20 0 ICADMO CC(C)NC(=O)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001493805843 1070116202 /nfs/dbraw/zinc/11/62/02/1070116202.db2.gz NMRVIRGAOUPNNI-IAGOWNOFSA-N 1 1 440.614 0.873 20 0 ICADMO CC(C)NC(=O)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001493805844 1070116035 /nfs/dbraw/zinc/11/60/35/1070116035.db2.gz NMRVIRGAOUPNNI-IRXDYDNUSA-N 1 1 440.614 0.873 20 0 ICADMO CC(C)NC(=O)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001493805845 1070117124 /nfs/dbraw/zinc/11/71/24/1070117124.db2.gz NMRVIRGAOUPNNI-SJORKVTESA-N 1 1 440.614 0.873 20 0 ICADMO C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001493806105 1070117307 /nfs/dbraw/zinc/11/73/07/1070117307.db2.gz OSGPQWYZRFGGDG-CVEARBPZSA-N 1 1 426.587 0.832 20 0 ICADMO C[C@H]1CCC[N@@H+](CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001493806108 1070117294 /nfs/dbraw/zinc/11/72/94/1070117294.db2.gz OSGPQWYZRFGGDG-HOTGVXAUSA-N 1 1 426.587 0.832 20 0 ICADMO C[C@@H]1CCC[N@@H+](CCn2c([C@H]3CCC(=O)N3)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001493806110 1070117189 /nfs/dbraw/zinc/11/71/89/1070117189.db2.gz OSGPQWYZRFGGDG-HZPDHXFCSA-N 1 1 426.587 0.832 20 0 ICADMO C[C@H]1CCC[N@@H+](CCn2c([C@H]3CCC(=O)N3)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001493806111 1070117270 /nfs/dbraw/zinc/11/72/70/1070117270.db2.gz OSGPQWYZRFGGDG-JKSUJKDBSA-N 1 1 426.587 0.832 20 0 ICADMO C[C@H]1CCC[N@@H+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOCC2)C1 ZINC001493807442 1070117249 /nfs/dbraw/zinc/11/72/49/1070117249.db2.gz YUZINPHGBFQARM-DLBZAZTESA-N 1 1 442.586 0.180 20 0 ICADMO C[C@@H]1CCC[N@@H+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOCC2)C1 ZINC001493807443 1070117155 /nfs/dbraw/zinc/11/71/55/1070117155.db2.gz YUZINPHGBFQARM-IAGOWNOFSA-N 1 1 442.586 0.180 20 0 ICADMO C[C@H]1CCC[N@@H+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOCC2)C1 ZINC001493807444 1070117104 /nfs/dbraw/zinc/11/71/04/1070117104.db2.gz YUZINPHGBFQARM-IRXDYDNUSA-N 1 1 442.586 0.180 20 0 ICADMO C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOCC2)C1 ZINC001493807445 1070117318 /nfs/dbraw/zinc/11/73/18/1070117318.db2.gz YUZINPHGBFQARM-SJORKVTESA-N 1 1 442.586 0.180 20 0 ICADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cnn(C)c3)nnc2N2CCC(OCC(N)=O)CC2)C1 ZINC001493807522 1070117227 /nfs/dbraw/zinc/11/72/27/1070117227.db2.gz ZTYQONPCYRGTQN-INIZCTEOSA-N 1 1 430.557 0.881 20 0 ICADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cnn(C)c3)nnc2N2CCC(OCC(N)=O)CC2)C1 ZINC001493807523 1070117065 /nfs/dbraw/zinc/11/70/65/1070117065.db2.gz ZTYQONPCYRGTQN-MRXNPFEDSA-N 1 1 430.557 0.881 20 0 ICADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCC[C@H]1C ZINC001493842716 1070118027 /nfs/dbraw/zinc/11/80/27/1070118027.db2.gz LOZSFRJPNGNKPZ-CVEARBPZSA-N 1 1 426.587 0.868 20 0 ICADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001493842716 1070118018 /nfs/dbraw/zinc/11/80/18/1070118018.db2.gz LOZSFRJPNGNKPZ-CVEARBPZSA-N 1 1 426.587 0.868 20 0 ICADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001493842718 1070118148 /nfs/dbraw/zinc/11/81/48/1070118148.db2.gz LOZSFRJPNGNKPZ-HOTGVXAUSA-N 1 1 426.587 0.868 20 0 ICADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001493842718 1070118143 /nfs/dbraw/zinc/11/81/43/1070118143.db2.gz LOZSFRJPNGNKPZ-HOTGVXAUSA-N 1 1 426.587 0.868 20 0 ICADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCC[C@H]1C ZINC001493842720 1070118132 /nfs/dbraw/zinc/11/81/32/1070118132.db2.gz LOZSFRJPNGNKPZ-HZPDHXFCSA-N 1 1 426.587 0.868 20 0 ICADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001493842720 1070118126 /nfs/dbraw/zinc/11/81/26/1070118126.db2.gz LOZSFRJPNGNKPZ-HZPDHXFCSA-N 1 1 426.587 0.868 20 0 ICADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001493842722 1070117825 /nfs/dbraw/zinc/11/78/25/1070117825.db2.gz LOZSFRJPNGNKPZ-JKSUJKDBSA-N 1 1 426.587 0.868 20 0 ICADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001493842722 1070117810 /nfs/dbraw/zinc/11/78/10/1070117810.db2.gz LOZSFRJPNGNKPZ-JKSUJKDBSA-N 1 1 426.587 0.868 20 0 ICADMO C[C@@H]1CCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001493846816 1070117899 /nfs/dbraw/zinc/11/78/99/1070117899.db2.gz XYCNBOBNSHGZIR-CVEARBPZSA-N 1 1 439.586 0.185 20 0 ICADMO C[C@H]1CCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001493846817 1070118046 /nfs/dbraw/zinc/11/80/46/1070118046.db2.gz XYCNBOBNSHGZIR-HOTGVXAUSA-N 1 1 439.586 0.185 20 0 ICADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001493846818 1070117955 /nfs/dbraw/zinc/11/79/55/1070117955.db2.gz XYCNBOBNSHGZIR-HZPDHXFCSA-N 1 1 439.586 0.185 20 0 ICADMO C[C@H]1CCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001493846819 1070118116 /nfs/dbraw/zinc/11/81/16/1070118116.db2.gz XYCNBOBNSHGZIR-JKSUJKDBSA-N 1 1 439.586 0.185 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001493882228 1070118825 /nfs/dbraw/zinc/11/88/25/1070118825.db2.gz CXSFHYKFIKHBDX-CVEARBPZSA-N 1 1 427.619 0.761 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001493882228 1070118812 /nfs/dbraw/zinc/11/88/12/1070118812.db2.gz CXSFHYKFIKHBDX-CVEARBPZSA-N 1 1 427.619 0.761 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001493882228 1070118803 /nfs/dbraw/zinc/11/88/03/1070118803.db2.gz CXSFHYKFIKHBDX-CVEARBPZSA-N 1 1 427.619 0.761 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001493882238 1070118962 /nfs/dbraw/zinc/11/89/62/1070118962.db2.gz CXSFHYKFIKHBDX-HOTGVXAUSA-N 1 1 427.619 0.761 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001493882238 1070118960 /nfs/dbraw/zinc/11/89/60/1070118960.db2.gz CXSFHYKFIKHBDX-HOTGVXAUSA-N 1 1 427.619 0.761 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001493882238 1070118954 /nfs/dbraw/zinc/11/89/54/1070118954.db2.gz CXSFHYKFIKHBDX-HOTGVXAUSA-N 1 1 427.619 0.761 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001493882242 1070118898 /nfs/dbraw/zinc/11/88/98/1070118898.db2.gz CXSFHYKFIKHBDX-HZPDHXFCSA-N 1 1 427.619 0.761 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001493882242 1070118895 /nfs/dbraw/zinc/11/88/95/1070118895.db2.gz CXSFHYKFIKHBDX-HZPDHXFCSA-N 1 1 427.619 0.761 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001493882242 1070118890 /nfs/dbraw/zinc/11/88/90/1070118890.db2.gz CXSFHYKFIKHBDX-HZPDHXFCSA-N 1 1 427.619 0.761 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001493882244 1070119000 /nfs/dbraw/zinc/11/90/00/1070119000.db2.gz CXSFHYKFIKHBDX-JKSUJKDBSA-N 1 1 427.619 0.761 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001493882244 1070118998 /nfs/dbraw/zinc/11/89/98/1070118998.db2.gz CXSFHYKFIKHBDX-JKSUJKDBSA-N 1 1 427.619 0.761 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001493882244 1070118996 /nfs/dbraw/zinc/11/89/96/1070118996.db2.gz CXSFHYKFIKHBDX-JKSUJKDBSA-N 1 1 427.619 0.761 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CC[NH+]1CCC(C)CC1 ZINC001494065952 1070122468 /nfs/dbraw/zinc/12/24/68/1070122468.db2.gz ANPLOQHVZCBZHN-INIZCTEOSA-N 1 1 426.587 0.772 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CC[NH+]1CCC(C)CC1 ZINC001494065953 1070122603 /nfs/dbraw/zinc/12/26/03/1070122603.db2.gz ANPLOQHVZCBZHN-MRXNPFEDSA-N 1 1 426.587 0.772 20 0 ICADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N2CCNC(=O)CC2)C[C@H](C)O1 ZINC001494096017 1070123580 /nfs/dbraw/zinc/12/35/80/1070123580.db2.gz LNGIGINZUIDUQP-IYBDPMFKSA-N 1 1 430.557 0.893 20 0 ICADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)C2)C[C@H](C)O1 ZINC001494097750 1070123556 /nfs/dbraw/zinc/12/35/56/1070123556.db2.gz WHBVDRDEUNEWAZ-OWCLPIDISA-N 1 1 433.557 0.395 20 0 ICADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)C2)C[C@H](C)O1 ZINC001494097751 1070123311 /nfs/dbraw/zinc/12/33/11/1070123311.db2.gz WHBVDRDEUNEWAZ-XHSDSOJGSA-N 1 1 433.557 0.395 20 0 ICADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC001494098132 1070123356 /nfs/dbraw/zinc/12/33/56/1070123356.db2.gz ZJNGGIHRWHXBLU-TWMKSMIVSA-N 1 1 447.584 0.819 20 0 ICADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC001494098134 1070123491 /nfs/dbraw/zinc/12/34/91/1070123491.db2.gz ZJNGGIHRWHXBLU-YVSFHVDLSA-N 1 1 447.584 0.819 20 0 ICADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC001494098303 1070123392 /nfs/dbraw/zinc/12/33/92/1070123392.db2.gz FXVVMWADSGJXEC-BBWFWOEESA-N 1 1 447.584 0.600 20 0 ICADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC001494098308 1070124358 /nfs/dbraw/zinc/12/43/58/1070124358.db2.gz FXVVMWADSGJXEC-IXDOHACOSA-N 1 1 447.584 0.600 20 0 ICADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CCNC(=O)C2)C[C@H](C)O1 ZINC001494098572 1070124257 /nfs/dbraw/zinc/12/42/57/1070124257.db2.gz IJNZYCHTXKETCY-IYBDPMFKSA-N 1 1 433.557 0.225 20 0 ICADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cnn(C)c2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001494112193 1070125115 /nfs/dbraw/zinc/12/51/15/1070125115.db2.gz AWUFZHVFONBPKM-AEFFLSMTSA-N 1 1 430.557 0.582 20 0 ICADMO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cnn(C)c2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001494112197 1070125120 /nfs/dbraw/zinc/12/51/20/1070125120.db2.gz AWUFZHVFONBPKM-FUHWJXTLSA-N 1 1 430.557 0.582 20 0 ICADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cnn(C)c2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001494112199 1070125105 /nfs/dbraw/zinc/12/51/05/1070125105.db2.gz AWUFZHVFONBPKM-SJLPKXTDSA-N 1 1 430.557 0.582 20 0 ICADMO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cnn(C)c2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001494112201 1070125064 /nfs/dbraw/zinc/12/50/64/1070125064.db2.gz AWUFZHVFONBPKM-WMZOPIPTSA-N 1 1 430.557 0.582 20 0 ICADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(Cc2ccncc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001494120125 1070127616 /nfs/dbraw/zinc/12/76/16/1070127616.db2.gz MTWNVUCTQKAXPT-GOSISDBHSA-N 1 1 440.596 0.957 20 0 ICADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(Cc2ccncc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001494120125 1070127612 /nfs/dbraw/zinc/12/76/12/1070127612.db2.gz MTWNVUCTQKAXPT-GOSISDBHSA-N 1 1 440.596 0.957 20 0 ICADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(Cc2ccncc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001494120125 1070127608 /nfs/dbraw/zinc/12/76/08/1070127608.db2.gz MTWNVUCTQKAXPT-GOSISDBHSA-N 1 1 440.596 0.957 20 0 ICADMO C[C@H]1CN(C)C(=O)CN1c1nnc(Cc2ccncc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001494120126 1070127709 /nfs/dbraw/zinc/12/77/09/1070127709.db2.gz MTWNVUCTQKAXPT-SFHVURJKSA-N 1 1 440.596 0.957 20 0 ICADMO C[C@H]1CN(C)C(=O)CN1c1nnc(Cc2ccncc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001494120126 1070127703 /nfs/dbraw/zinc/12/77/03/1070127703.db2.gz MTWNVUCTQKAXPT-SFHVURJKSA-N 1 1 440.596 0.957 20 0 ICADMO C[C@H]1CN(C)C(=O)CN1c1nnc(Cc2ccncc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001494120126 1070127697 /nfs/dbraw/zinc/12/76/97/1070127697.db2.gz MTWNVUCTQKAXPT-SFHVURJKSA-N 1 1 440.596 0.957 20 0 ICADMO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001494122068 1070128330 /nfs/dbraw/zinc/12/83/30/1070128330.db2.gz ZFTJSGHPWBGLSA-CVEARBPZSA-N 1 1 438.598 0.722 20 0 ICADMO C[C@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001494122069 1070128459 /nfs/dbraw/zinc/12/84/59/1070128459.db2.gz ZFTJSGHPWBGLSA-HOTGVXAUSA-N 1 1 438.598 0.722 20 0 ICADMO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001494122070 1070128518 /nfs/dbraw/zinc/12/85/18/1070128518.db2.gz ZFTJSGHPWBGLSA-HZPDHXFCSA-N 1 1 438.598 0.722 20 0 ICADMO C[C@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001494122071 1070128272 /nfs/dbraw/zinc/12/82/72/1070128272.db2.gz ZFTJSGHPWBGLSA-JKSUJKDBSA-N 1 1 438.598 0.722 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCS(C)(=O)=O ZINC001494139287 1070130682 /nfs/dbraw/zinc/13/06/82/1070130682.db2.gz HVHVUTMHQKTOOL-HNNXBMFYSA-N 1 1 426.587 0.772 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCS(C)(=O)=O ZINC001494139288 1070130907 /nfs/dbraw/zinc/13/09/07/1070130907.db2.gz HVHVUTMHQKTOOL-OAHLLOKOSA-N 1 1 426.587 0.772 20 0 ICADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCCNS(C)(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001494168895 1070133327 /nfs/dbraw/zinc/13/33/27/1070133327.db2.gz CVASJQDLIXZFBW-CVEARBPZSA-N 1 1 428.603 0.672 20 0 ICADMO C[C@H]1CN(c2nnc(C(C)(C)C)n2CCCNS(C)(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001494168896 1070133406 /nfs/dbraw/zinc/13/34/06/1070133406.db2.gz CVASJQDLIXZFBW-HOTGVXAUSA-N 1 1 428.603 0.672 20 0 ICADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCCNS(C)(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC001494168897 1070133309 /nfs/dbraw/zinc/13/33/09/1070133309.db2.gz CVASJQDLIXZFBW-HZPDHXFCSA-N 1 1 428.603 0.672 20 0 ICADMO C[C@H]1CN(c2nnc(C(C)(C)C)n2CCCNS(C)(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC001494168898 1070133379 /nfs/dbraw/zinc/13/33/79/1070133379.db2.gz CVASJQDLIXZFBW-JKSUJKDBSA-N 1 1 428.603 0.672 20 0 ICADMO C[C@H]1CN(c2nnc(C(C)(C)C)n2CCN2CCCS2(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC001494170384 1070133491 /nfs/dbraw/zinc/13/34/91/1070133491.db2.gz KUHTWBDBJPUOSK-DLBZAZTESA-N 1 1 440.614 0.768 20 0 ICADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN2CCCS2(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC001494170386 1070133214 /nfs/dbraw/zinc/13/32/14/1070133214.db2.gz KUHTWBDBJPUOSK-IAGOWNOFSA-N 1 1 440.614 0.768 20 0 ICADMO C[C@H]1CN(c2nnc(C(C)(C)C)n2CCN2CCCS2(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001494170388 1070133273 /nfs/dbraw/zinc/13/32/73/1070133273.db2.gz KUHTWBDBJPUOSK-IRXDYDNUSA-N 1 1 440.614 0.768 20 0 ICADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN2CCCS2(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001494170390 1070133432 /nfs/dbraw/zinc/13/34/32/1070133432.db2.gz KUHTWBDBJPUOSK-SJORKVTESA-N 1 1 440.614 0.768 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001494187724 1070133363 /nfs/dbraw/zinc/13/33/63/1070133363.db2.gz BQNXWYYPBIRYNY-CABCVRRESA-N 1 1 446.643 0.941 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS[C@@H](C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001494187726 1070133256 /nfs/dbraw/zinc/13/32/56/1070133256.db2.gz BQNXWYYPBIRYNY-GJZGRUSLSA-N 1 1 446.643 0.941 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001494187727 1070133477 /nfs/dbraw/zinc/13/34/77/1070133477.db2.gz BQNXWYYPBIRYNY-HUUCEWRRSA-N 1 1 446.643 0.941 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS[C@@H](C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001494187728 1070133243 /nfs/dbraw/zinc/13/32/43/1070133243.db2.gz BQNXWYYPBIRYNY-LSDHHAIUSA-N 1 1 446.643 0.941 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CC(=O)N(C)C ZINC001494191594 1070133985 /nfs/dbraw/zinc/13/39/85/1070133985.db2.gz KJXVITAPFMDGSY-CABCVRRESA-N 1 1 441.602 0.287 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CC(=O)N(C)C ZINC001494191596 1070134023 /nfs/dbraw/zinc/13/40/23/1070134023.db2.gz KJXVITAPFMDGSY-GJZGRUSLSA-N 1 1 441.602 0.287 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CC(=O)N(C)C ZINC001494191598 1070134083 /nfs/dbraw/zinc/13/40/83/1070134083.db2.gz KJXVITAPFMDGSY-HUUCEWRRSA-N 1 1 441.602 0.287 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CC(=O)N(C)C ZINC001494192205 1070133906 /nfs/dbraw/zinc/13/39/06/1070133906.db2.gz KJXVITAPFMDGSY-LSDHHAIUSA-N 1 1 441.602 0.287 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@H](C)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001494193103 1070135073 /nfs/dbraw/zinc/13/50/73/1070135073.db2.gz MRWIIZNUUZPDMC-BRWVUGGUSA-N 1 1 444.602 0.350 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@H](C)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001494193106 1070134947 /nfs/dbraw/zinc/13/49/47/1070134947.db2.gz MRWIIZNUUZPDMC-IKGGRYGDSA-N 1 1 444.602 0.350 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@H](C)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001494193108 1070134966 /nfs/dbraw/zinc/13/49/66/1070134966.db2.gz MRWIIZNUUZPDMC-IXDOHACOSA-N 1 1 444.602 0.350 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@H](C)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001494193110 1070135055 /nfs/dbraw/zinc/13/50/55/1070135055.db2.gz MRWIIZNUUZPDMC-ZACQAIPSSA-N 1 1 444.602 0.350 20 0 ICADMO C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCCNS(C)(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001494281241 1070140579 /nfs/dbraw/zinc/14/05/79/1070140579.db2.gz XYTKNSAIOMVAHP-AEFFLSMTSA-N 1 1 449.581 0.436 20 0 ICADMO C[C@H]1CN(c2nnc(-c3ccccn3)n2CCCNS(C)(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC001494281242 1070140674 /nfs/dbraw/zinc/14/06/74/1070140674.db2.gz XYTKNSAIOMVAHP-FUHWJXTLSA-N 1 1 449.581 0.436 20 0 ICADMO C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCCNS(C)(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC001494281243 1070140481 /nfs/dbraw/zinc/14/04/81/1070140481.db2.gz XYTKNSAIOMVAHP-SJLPKXTDSA-N 1 1 449.581 0.436 20 0 ICADMO C[C@H]1CN(c2nnc(-c3ccccn3)n2CCCNS(C)(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001494281244 1070140504 /nfs/dbraw/zinc/14/05/04/1070140504.db2.gz XYTKNSAIOMVAHP-WMZOPIPTSA-N 1 1 449.581 0.436 20 0 ICADMO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H](C(F)(F)F)O1 ZINC001494301890 1070140612 /nfs/dbraw/zinc/14/06/12/1070140612.db2.gz LCQLQWPEJSUFLP-HACGYAERSA-N 1 1 429.447 0.901 20 0 ICADMO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H](C(F)(F)F)O1 ZINC001494301891 1070140334 /nfs/dbraw/zinc/14/03/34/1070140334.db2.gz LCQLQWPEJSUFLP-IFIJOSMWSA-N 1 1 429.447 0.901 20 0 ICADMO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H](C(F)(F)F)O1 ZINC001494301892 1070140410 /nfs/dbraw/zinc/14/04/10/1070140410.db2.gz LCQLQWPEJSUFLP-MRRJBJDNSA-N 1 1 429.447 0.901 20 0 ICADMO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H](C(F)(F)F)O1 ZINC001494301893 1070140698 /nfs/dbraw/zinc/14/06/98/1070140698.db2.gz LCQLQWPEJSUFLP-SUYBPPKGSA-N 1 1 429.447 0.901 20 0 ICADMO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)C(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001494302340 1070140391 /nfs/dbraw/zinc/14/03/91/1070140391.db2.gz RBMSXZDLCNUHKG-AEFFLSMTSA-N 1 1 444.584 0.998 20 0 ICADMO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)C(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001494302341 1070140557 /nfs/dbraw/zinc/14/05/57/1070140557.db2.gz RBMSXZDLCNUHKG-FUHWJXTLSA-N 1 1 444.584 0.998 20 0 ICADMO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)C(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001494302342 1070140651 /nfs/dbraw/zinc/14/06/51/1070140651.db2.gz RBMSXZDLCNUHKG-SJLPKXTDSA-N 1 1 444.584 0.998 20 0 ICADMO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)C(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001494302343 1070140534 /nfs/dbraw/zinc/14/05/34/1070140534.db2.gz RBMSXZDLCNUHKG-WMZOPIPTSA-N 1 1 444.584 0.998 20 0 ICADMO C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCS(C)(=O)=O)CC[N@H+](C2CCC2)C1 ZINC001494323269 1070145370 /nfs/dbraw/zinc/14/53/70/1070145370.db2.gz ZURNKUMAWVGRKG-DOTOQJQBSA-N 1 1 438.598 0.975 20 0 ICADMO C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCS(C)(=O)=O)CC[N@H+](C2CCC2)C1 ZINC001494323270 1070145341 /nfs/dbraw/zinc/14/53/41/1070145341.db2.gz ZURNKUMAWVGRKG-NVXWUHKLSA-N 1 1 438.598 0.975 20 0 ICADMO C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCS(C)(=O)=O)CC[N@H+](C2CCC2)C1 ZINC001494323271 1070145424 /nfs/dbraw/zinc/14/54/24/1070145424.db2.gz ZURNKUMAWVGRKG-RDJZCZTQSA-N 1 1 438.598 0.975 20 0 ICADMO C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCS(C)(=O)=O)CC[N@H+](C2CCC2)C1 ZINC001494323272 1070145461 /nfs/dbraw/zinc/14/54/61/1070145461.db2.gz ZURNKUMAWVGRKG-WBVHZDCISA-N 1 1 438.598 0.975 20 0 ICADMO C[C@H]1CN(c2nnc(C3CCCC3)n2CCNS(C)(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC001494325393 1070145403 /nfs/dbraw/zinc/14/54/03/1070145403.db2.gz KJRUREZZLKMONA-DOTOQJQBSA-N 1 1 426.587 0.642 20 0 ICADMO C[C@@H]1CN(c2nnc(C3CCCC3)n2CCNS(C)(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC001494325394 1070145389 /nfs/dbraw/zinc/14/53/89/1070145389.db2.gz KJRUREZZLKMONA-NVXWUHKLSA-N 1 1 426.587 0.642 20 0 ICADMO C[C@H]1CN(c2nnc(C3CCCC3)n2CCNS(C)(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001494325395 1070145486 /nfs/dbraw/zinc/14/54/86/1070145486.db2.gz KJRUREZZLKMONA-RDJZCZTQSA-N 1 1 426.587 0.642 20 0 ICADMO C[C@@H]1CN(c2nnc(C3CCCC3)n2CCNS(C)(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001494325396 1070145436 /nfs/dbraw/zinc/14/54/36/1070145436.db2.gz KJRUREZZLKMONA-WBVHZDCISA-N 1 1 426.587 0.642 20 0 ICADMO C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC001494347426 1070149450 /nfs/dbraw/zinc/14/94/50/1070149450.db2.gz SCVOZOUPMOVBHQ-DLBZAZTESA-N 1 1 440.614 0.431 20 0 ICADMO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC001494347427 1070149638 /nfs/dbraw/zinc/14/96/38/1070149638.db2.gz SCVOZOUPMOVBHQ-IAGOWNOFSA-N 1 1 440.614 0.431 20 0 ICADMO C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC001494347428 1070149534 /nfs/dbraw/zinc/14/95/34/1070149534.db2.gz SCVOZOUPMOVBHQ-IRXDYDNUSA-N 1 1 440.614 0.431 20 0 ICADMO C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC001494347429 1070149675 /nfs/dbraw/zinc/14/96/75/1070149675.db2.gz SCVOZOUPMOVBHQ-SJORKVTESA-N 1 1 440.614 0.431 20 0 ICADMO C[C@H]1CCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C)C1 ZINC001494360819 1070152021 /nfs/dbraw/zinc/15/20/21/1070152021.db2.gz ARGRYFTTYVZYLL-BBWFWOEESA-N 1 1 442.586 0.320 20 0 ICADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C)C1 ZINC001494360820 1070151828 /nfs/dbraw/zinc/15/18/28/1070151828.db2.gz ARGRYFTTYVZYLL-BRWVUGGUSA-N 1 1 442.586 0.320 20 0 ICADMO C[C@H]1CCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C)C1 ZINC001494360822 1070151960 /nfs/dbraw/zinc/15/19/60/1070151960.db2.gz ARGRYFTTYVZYLL-GVDBMIGSSA-N 1 1 442.586 0.320 20 0 ICADMO C[C@@H]1CCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C)C1 ZINC001494360824 1070151808 /nfs/dbraw/zinc/15/18/08/1070151808.db2.gz ARGRYFTTYVZYLL-ZACQAIPSSA-N 1 1 442.586 0.320 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001494363979 1070151924 /nfs/dbraw/zinc/15/19/24/1070151924.db2.gz LWENWQHPWSOKEM-BBWFWOEESA-N 1 1 444.602 0.565 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001494363980 1070151988 /nfs/dbraw/zinc/15/19/88/1070151988.db2.gz LWENWQHPWSOKEM-BRWVUGGUSA-N 1 1 444.602 0.565 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001494363981 1070151868 /nfs/dbraw/zinc/15/18/68/1070151868.db2.gz LWENWQHPWSOKEM-IXDOHACOSA-N 1 1 444.602 0.565 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001494363982 1070151716 /nfs/dbraw/zinc/15/17/16/1070151716.db2.gz LWENWQHPWSOKEM-ZACQAIPSSA-N 1 1 444.602 0.565 20 0 ICADMO C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCC(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001494421410 1070155310 /nfs/dbraw/zinc/15/53/10/1070155310.db2.gz OJVGKQUQOGQGOW-HKUYNNGSSA-N 1 1 427.553 0.899 20 0 ICADMO C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCC(=O)N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001494421411 1070155370 /nfs/dbraw/zinc/15/53/70/1070155370.db2.gz OJVGKQUQOGQGOW-IEBWSBKVSA-N 1 1 427.553 0.899 20 0 ICADMO C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCC(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001494421412 1070155405 /nfs/dbraw/zinc/15/54/05/1070155405.db2.gz OJVGKQUQOGQGOW-MJGOQNOKSA-N 1 1 427.553 0.899 20 0 ICADMO C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCC(=O)N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001494421589 1070155274 /nfs/dbraw/zinc/15/52/74/1070155274.db2.gz OJVGKQUQOGQGOW-PKOBYXMFSA-N 1 1 427.553 0.899 20 0 ICADMO C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001494503983 1070158515 /nfs/dbraw/zinc/15/85/15/1070158515.db2.gz CZZMSLULYBJJDQ-QLFBSQMISA-N 1 1 446.474 0.965 20 0 ICADMO C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001494503984 1070158535 /nfs/dbraw/zinc/15/85/35/1070158535.db2.gz CZZMSLULYBJJDQ-RBSFLKMASA-N 1 1 446.474 0.965 20 0 ICADMO C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001494503985 1070159486 /nfs/dbraw/zinc/15/94/86/1070159486.db2.gz CZZMSLULYBJJDQ-RRFJBIMHSA-N 1 1 446.474 0.965 20 0 ICADMO C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001494503986 1070159385 /nfs/dbraw/zinc/15/93/85/1070159385.db2.gz CZZMSLULYBJJDQ-SOUVJXGZSA-N 1 1 446.474 0.965 20 0 ICADMO C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001494505734 1070159550 /nfs/dbraw/zinc/15/95/50/1070159550.db2.gz MUAJWOYUJGAZLP-QLFBSQMISA-N 1 1 428.484 0.668 20 0 ICADMO C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001494505735 1070159319 /nfs/dbraw/zinc/15/93/19/1070159319.db2.gz MUAJWOYUJGAZLP-RBSFLKMASA-N 1 1 428.484 0.668 20 0 ICADMO C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001494505736 1070159467 /nfs/dbraw/zinc/15/94/67/1070159467.db2.gz MUAJWOYUJGAZLP-RRFJBIMHSA-N 1 1 428.484 0.668 20 0 ICADMO C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001494505737 1070159618 /nfs/dbraw/zinc/15/96/18/1070159618.db2.gz MUAJWOYUJGAZLP-SOUVJXGZSA-N 1 1 428.484 0.668 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC[C@@H]2C)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001494519331 1070160107 /nfs/dbraw/zinc/16/01/07/1070160107.db2.gz OIANOIOGSKAJED-BBWFWOEESA-N 1 1 444.602 0.614 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC[C@H]2C)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001494519334 1070160467 /nfs/dbraw/zinc/16/04/67/1070160467.db2.gz OIANOIOGSKAJED-BRWVUGGUSA-N 1 1 444.602 0.614 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC[C@@H]2C)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001494519336 1070160073 /nfs/dbraw/zinc/16/00/73/1070160073.db2.gz OIANOIOGSKAJED-GVDBMIGSSA-N 1 1 444.602 0.614 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC[C@H]2C)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001494519339 1070160341 /nfs/dbraw/zinc/16/03/41/1070160341.db2.gz OIANOIOGSKAJED-ZACQAIPSSA-N 1 1 444.602 0.614 20 0 ICADMO CC(C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494519689 1070160422 /nfs/dbraw/zinc/16/04/22/1070160422.db2.gz PTANRWCNVBBVSU-BBWFWOEESA-N 1 1 433.557 0.048 20 0 ICADMO CC(C)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494519691 1070160172 /nfs/dbraw/zinc/16/01/72/1070160172.db2.gz PTANRWCNVBBVSU-IXDOHACOSA-N 1 1 433.557 0.048 20 0 ICADMO C[C@@H](CC(N)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001494520076 1070160308 /nfs/dbraw/zinc/16/03/08/1070160308.db2.gz SLOKCPXPGXKFFN-DLBZAZTESA-N 1 1 435.573 0.715 20 0 ICADMO C[C@H](CC(N)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001494520077 1070160090 /nfs/dbraw/zinc/16/00/90/1070160090.db2.gz SLOKCPXPGXKFFN-IAGOWNOFSA-N 1 1 435.573 0.715 20 0 ICADMO C[C@@H](CC(N)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001494520078 1070160381 /nfs/dbraw/zinc/16/03/81/1070160381.db2.gz SLOKCPXPGXKFFN-IRXDYDNUSA-N 1 1 435.573 0.715 20 0 ICADMO 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C[C@H]1COCC[N@H+]1CCn1c(-c2cccnc2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001494595115 1070167169 /nfs/dbraw/zinc/16/71/69/1070167169.db2.gz VEOSDPQXWNEPET-KRWDZBQOSA-N 1 1 429.525 0.356 20 0 ICADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cccnc2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001494595115 1070167162 /nfs/dbraw/zinc/16/71/62/1070167162.db2.gz VEOSDPQXWNEPET-KRWDZBQOSA-N 1 1 429.525 0.356 20 0 ICADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cccnc2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001494595116 1070167303 /nfs/dbraw/zinc/16/73/03/1070167303.db2.gz VEOSDPQXWNEPET-QGZVFWFLSA-N 1 1 429.525 0.356 20 0 ICADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cccnc2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001494595116 1070167297 /nfs/dbraw/zinc/16/72/97/1070167297.db2.gz VEOSDPQXWNEPET-QGZVFWFLSA-N 1 1 429.525 0.356 20 0 ICADMO C[C@H]1COCC[N@H+]1CCn1c(-c2cccn2C)nnc1N(C)CC(=O)N1CCOCC1 ZINC001494595776 1070167395 /nfs/dbraw/zinc/16/73/95/1070167395.db2.gz ZITUXYRSCIXVNG-KRWDZBQOSA-N 1 1 431.541 0.299 20 0 ICADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cccn2C)nnc1N(C)CC(=O)N1CCOCC1 ZINC001494595776 1070167388 /nfs/dbraw/zinc/16/73/88/1070167388.db2.gz ZITUXYRSCIXVNG-KRWDZBQOSA-N 1 1 431.541 0.299 20 0 ICADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cccn2C)nnc1N(C)CC(=O)N1CCOCC1 ZINC001494595777 1070167145 /nfs/dbraw/zinc/16/71/45/1070167145.db2.gz ZITUXYRSCIXVNG-QGZVFWFLSA-N 1 1 431.541 0.299 20 0 ICADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cccn2C)nnc1N(C)CC(=O)N1CCOCC1 ZINC001494595777 1070167138 /nfs/dbraw/zinc/16/71/38/1070167138.db2.gz ZITUXYRSCIXVNG-QGZVFWFLSA-N 1 1 431.541 0.299 20 0 ICADMO C[C@@H]1COCCN1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001494602579 1070169134 /nfs/dbraw/zinc/16/91/34/1070169134.db2.gz FXRRVSSTBBIRLH-MSOLQXFVSA-N 1 1 449.600 0.497 20 0 ICADMO C[C@@H]1COCCN1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001494602579 1070169132 /nfs/dbraw/zinc/16/91/32/1070169132.db2.gz FXRRVSSTBBIRLH-MSOLQXFVSA-N 1 1 449.600 0.497 20 0 ICADMO C[C@@H]1COCCN1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001494602581 1070169021 /nfs/dbraw/zinc/16/90/21/1070169021.db2.gz FXRRVSSTBBIRLH-QZTJIDSGSA-N 1 1 449.600 0.497 20 0 ICADMO C[C@@H]1COCCN1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001494602581 1070169016 /nfs/dbraw/zinc/16/90/16/1070169016.db2.gz FXRRVSSTBBIRLH-QZTJIDSGSA-N 1 1 449.600 0.497 20 0 ICADMO C[C@H]1COCCN1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001494602583 1070169035 /nfs/dbraw/zinc/16/90/35/1070169035.db2.gz FXRRVSSTBBIRLH-ROUUACIJSA-N 1 1 449.600 0.497 20 0 ICADMO C[C@H]1COCCN1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001494602583 1070169031 /nfs/dbraw/zinc/16/90/31/1070169031.db2.gz FXRRVSSTBBIRLH-ROUUACIJSA-N 1 1 449.600 0.497 20 0 ICADMO C[C@H]1COCCN1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001494602585 1070168969 /nfs/dbraw/zinc/16/89/69/1070168969.db2.gz FXRRVSSTBBIRLH-ZWKOTPCHSA-N 1 1 449.600 0.497 20 0 ICADMO C[C@H]1COCCN1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001494602585 1070168964 /nfs/dbraw/zinc/16/89/64/1070168964.db2.gz FXRRVSSTBBIRLH-ZWKOTPCHSA-N 1 1 449.600 0.497 20 0 ICADMO C[C@@H]1OCC[C@@]1(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001494655373 1070173168 /nfs/dbraw/zinc/17/31/68/1070173168.db2.gz HSVIDLGXSMYHLM-CKJXQJPGSA-N 1 1 436.557 0.316 20 0 ICADMO C[C@@H]1OCC[C@@]1(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001494655373 1070173163 /nfs/dbraw/zinc/17/31/63/1070173163.db2.gz HSVIDLGXSMYHLM-CKJXQJPGSA-N 1 1 436.557 0.316 20 0 ICADMO C[C@@H]1OCC[C@@]1(O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001494655374 1070173146 /nfs/dbraw/zinc/17/31/46/1070173146.db2.gz HSVIDLGXSMYHLM-GCKMJXCFSA-N 1 1 436.557 0.316 20 0 ICADMO C[C@@H]1OCC[C@@]1(O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001494655374 1070173141 /nfs/dbraw/zinc/17/31/41/1070173141.db2.gz HSVIDLGXSMYHLM-GCKMJXCFSA-N 1 1 436.557 0.316 20 0 ICADMO C[C@@H]1OCC[C@]1(O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001494655375 1070173112 /nfs/dbraw/zinc/17/31/12/1070173112.db2.gz HSVIDLGXSMYHLM-MRUHUIDDSA-N 1 1 436.557 0.316 20 0 ICADMO C[C@@H]1OCC[C@]1(O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001494655375 1070173109 /nfs/dbraw/zinc/17/31/09/1070173109.db2.gz HSVIDLGXSMYHLM-MRUHUIDDSA-N 1 1 436.557 0.316 20 0 ICADMO C[C@@H]1OCC[C@]1(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001494655376 1070173082 /nfs/dbraw/zinc/17/30/82/1070173082.db2.gz HSVIDLGXSMYHLM-QYWGDWMGSA-N 1 1 436.557 0.316 20 0 ICADMO C[C@@H]1OCC[C@]1(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001494655376 1070173078 /nfs/dbraw/zinc/17/30/78/1070173078.db2.gz HSVIDLGXSMYHLM-QYWGDWMGSA-N 1 1 436.557 0.316 20 0 ICADMO CCC(=O)N[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+](C)C(C)C)C1 ZINC001494700625 1070176854 /nfs/dbraw/zinc/17/68/54/1070176854.db2.gz ZWQCEOUQCUWBIJ-CVEARBPZSA-N 1 1 443.618 0.724 20 0 ICADMO CCC(=O)N[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+](C)C(C)C)C1 ZINC001494700628 1070176817 /nfs/dbraw/zinc/17/68/17/1070176817.db2.gz ZWQCEOUQCUWBIJ-HOTGVXAUSA-N 1 1 443.618 0.724 20 0 ICADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+](C)C(C)C)C1 ZINC001494700630 1070176707 /nfs/dbraw/zinc/17/67/07/1070176707.db2.gz ZWQCEOUQCUWBIJ-HZPDHXFCSA-N 1 1 443.618 0.724 20 0 ICADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+](C)C(C)C)C1 ZINC001494700634 1070176769 /nfs/dbraw/zinc/17/67/69/1070176769.db2.gz ZWQCEOUQCUWBIJ-JKSUJKDBSA-N 1 1 443.618 0.724 20 0 ICADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001494710694 1070176887 /nfs/dbraw/zinc/17/68/87/1070176887.db2.gz BWZJQXNBMPZXRG-AEFFLSMTSA-N 1 1 430.557 0.894 20 0 ICADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001494710695 1070177541 /nfs/dbraw/zinc/17/75/41/1070177541.db2.gz BWZJQXNBMPZXRG-FUHWJXTLSA-N 1 1 430.557 0.894 20 0 ICADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001494710696 1070177580 /nfs/dbraw/zinc/17/75/80/1070177580.db2.gz BWZJQXNBMPZXRG-SJLPKXTDSA-N 1 1 430.557 0.894 20 0 ICADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001494710697 1070177468 /nfs/dbraw/zinc/17/74/68/1070177468.db2.gz BWZJQXNBMPZXRG-WMZOPIPTSA-N 1 1 430.557 0.894 20 0 ICADMO CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001494715168 1070178484 /nfs/dbraw/zinc/17/84/84/1070178484.db2.gz KZINNIQEUNYNMC-DLBZAZTESA-N 1 1 447.584 0.835 20 0 ICADMO CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001494715168 1070178482 /nfs/dbraw/zinc/17/84/82/1070178482.db2.gz KZINNIQEUNYNMC-DLBZAZTESA-N 1 1 447.584 0.835 20 0 ICADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001494715169 1070178428 /nfs/dbraw/zinc/17/84/28/1070178428.db2.gz KZINNIQEUNYNMC-IAGOWNOFSA-N 1 1 447.584 0.835 20 0 ICADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001494715169 1070178423 /nfs/dbraw/zinc/17/84/23/1070178423.db2.gz KZINNIQEUNYNMC-IAGOWNOFSA-N 1 1 447.584 0.835 20 0 ICADMO CCC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001494715171 1070178494 /nfs/dbraw/zinc/17/84/94/1070178494.db2.gz KZINNIQEUNYNMC-IRXDYDNUSA-N 1 1 447.584 0.835 20 0 ICADMO CCC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001494715171 1070178491 /nfs/dbraw/zinc/17/84/91/1070178491.db2.gz KZINNIQEUNYNMC-IRXDYDNUSA-N 1 1 447.584 0.835 20 0 ICADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001494715172 1070178459 /nfs/dbraw/zinc/17/84/59/1070178459.db2.gz KZINNIQEUNYNMC-SJORKVTESA-N 1 1 447.584 0.835 20 0 ICADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001494715172 1070178448 /nfs/dbraw/zinc/17/84/48/1070178448.db2.gz KZINNIQEUNYNMC-SJORKVTESA-N 1 1 447.584 0.835 20 0 ICADMO CC[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001494774645 1070180642 /nfs/dbraw/zinc/18/06/42/1070180642.db2.gz WPGQLBBREHLERT-BXWFABGCSA-N 1 1 444.602 0.208 20 0 ICADMO CC[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001494774647 1070180768 /nfs/dbraw/zinc/18/07/68/1070180768.db2.gz WPGQLBBREHLERT-FCEWJHQRSA-N 1 1 444.602 0.208 20 0 ICADMO CC[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001494774649 1070180743 /nfs/dbraw/zinc/18/07/43/1070180743.db2.gz WPGQLBBREHLERT-GJYPPUQNSA-N 1 1 444.602 0.208 20 0 ICADMO CC[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001494774652 1070180670 /nfs/dbraw/zinc/18/06/70/1070180670.db2.gz WPGQLBBREHLERT-MDZRGWNJSA-N 1 1 444.602 0.208 20 0 ICADMO CC[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001494797606 1070182528 /nfs/dbraw/zinc/18/25/28/1070182528.db2.gz YXUHLABZOMHXQP-HTAPYJJXSA-N 1 1 447.584 0.525 20 0 ICADMO CC[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001494797606 1070182522 /nfs/dbraw/zinc/18/25/22/1070182522.db2.gz YXUHLABZOMHXQP-HTAPYJJXSA-N 1 1 447.584 0.525 20 0 ICADMO CC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001494797618 1070182502 /nfs/dbraw/zinc/18/25/02/1070182502.db2.gz YXUHLABZOMHXQP-JTSKRJEESA-N 1 1 447.584 0.525 20 0 ICADMO CC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001494797618 1070182500 /nfs/dbraw/zinc/18/25/00/1070182500.db2.gz YXUHLABZOMHXQP-JTSKRJEESA-N 1 1 447.584 0.525 20 0 ICADMO CC[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001494797621 1070182416 /nfs/dbraw/zinc/18/24/16/1070182416.db2.gz YXUHLABZOMHXQP-VGOFRKELSA-N 1 1 447.584 0.525 20 0 ICADMO CC[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001494797621 1070182407 /nfs/dbraw/zinc/18/24/07/1070182407.db2.gz YXUHLABZOMHXQP-VGOFRKELSA-N 1 1 447.584 0.525 20 0 ICADMO CC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001494797624 1070182469 /nfs/dbraw/zinc/18/24/69/1070182469.db2.gz YXUHLABZOMHXQP-VGSWGCGISA-N 1 1 447.584 0.525 20 0 ICADMO CC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001494797624 1070182464 /nfs/dbraw/zinc/18/24/64/1070182464.db2.gz YXUHLABZOMHXQP-VGSWGCGISA-N 1 1 447.584 0.525 20 0 ICADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001495276222 1070191018 /nfs/dbraw/zinc/19/10/18/1070191018.db2.gz OSKDLQUHNOJWBF-BBWFWOEESA-N 1 1 428.603 0.840 20 0 ICADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001495276233 1070191158 /nfs/dbraw/zinc/19/11/58/1070191158.db2.gz OSKDLQUHNOJWBF-GVDBMIGSSA-N 1 1 428.603 0.840 20 0 ICADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCS(=O)(=O)N(C)C ZINC001495276234 1070191185 /nfs/dbraw/zinc/19/11/85/1070191185.db2.gz OSKDLQUHNOJWBF-ULQDDVLXSA-N 1 1 428.603 0.840 20 0 ICADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001495276238 1070191099 /nfs/dbraw/zinc/19/10/99/1070191099.db2.gz OSKDLQUHNOJWBF-YESZJQIVSA-N 1 1 428.603 0.840 20 0 ICADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1nnn(C)n1 ZINC001495278146 1070191992 /nfs/dbraw/zinc/19/19/92/1070191992.db2.gz VWPLESXQXFQWPV-UXLLHSPISA-N 1 1 430.561 0.352 20 0 ICADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1nnn(C)n1 ZINC001495278186 1070192039 /nfs/dbraw/zinc/19/20/39/1070192039.db2.gz VWPLESXQXFQWPV-YQQAZPJKSA-N 1 1 430.561 0.352 20 0 ICADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1nnn(C)n1 ZINC001495278188 1070192065 /nfs/dbraw/zinc/19/20/65/1070192065.db2.gz VWPLESXQXFQWPV-ZMSDIMECSA-N 1 1 430.561 0.352 20 0 ICADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1nnn(C)n1 ZINC001495278192 1070192000 /nfs/dbraw/zinc/19/20/00/1070192000.db2.gz VWPLESXQXFQWPV-ZOBUZTSGSA-N 1 1 430.561 0.352 20 0 ICADMO CC[C@H](C)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001495441139 1070192891 /nfs/dbraw/zinc/19/28/91/1070192891.db2.gz FZCYGIIQZHATKD-DLBZAZTESA-N 1 1 428.603 0.842 20 0 ICADMO CC[C@@H](C)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001495441140 1070192951 /nfs/dbraw/zinc/19/29/51/1070192951.db2.gz FZCYGIIQZHATKD-IAGOWNOFSA-N 1 1 428.603 0.842 20 0 ICADMO CC[C@H](C)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001495441141 1070192851 /nfs/dbraw/zinc/19/28/51/1070192851.db2.gz FZCYGIIQZHATKD-IRXDYDNUSA-N 1 1 428.603 0.842 20 0 ICADMO CC[C@@H](C)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001495441142 1070192773 /nfs/dbraw/zinc/19/27/73/1070192773.db2.gz FZCYGIIQZHATKD-SJORKVTESA-N 1 1 428.603 0.842 20 0 ICADMO CC[C@@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001495449498 1070192917 /nfs/dbraw/zinc/19/29/17/1070192917.db2.gz GVWMSDSAPFUFFO-BEFAXECRSA-N 1 1 428.603 0.624 20 0 ICADMO CC[C@@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001495449499 1070192746 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1070201624 /nfs/dbraw/zinc/20/16/24/1070201624.db2.gz BRVUBABNMXBGQC-WNRNVDISSA-N 1 1 447.584 0.438 20 0 ICADMO CC[C@H](C)c1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1CC[N@@H+](C)C(C)C ZINC001495851125 1070202373 /nfs/dbraw/zinc/20/23/73/1070202373.db2.gz QMERYRQYWFZVFI-INIZCTEOSA-N 1 1 447.588 0.598 20 0 ICADMO CC[C@@H](C)c1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1CC[N@@H+](C)C(C)C ZINC001495851127 1070202320 /nfs/dbraw/zinc/20/23/20/1070202320.db2.gz QMERYRQYWFZVFI-MRXNPFEDSA-N 1 1 447.588 0.598 20 0 ICADMO CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1CCC[NH+]1CCOCC1 ZINC001495864229 1070203663 /nfs/dbraw/zinc/20/36/63/1070203663.db2.gz YRHYPZZVPDUNOU-DLBZAZTESA-N 1 1 433.557 0.987 20 0 ICADMO CC[C@@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1CCC[NH+]1CCOCC1 ZINC001495864230 1070203691 /nfs/dbraw/zinc/20/36/91/1070203691.db2.gz YRHYPZZVPDUNOU-IAGOWNOFSA-N 1 1 433.557 0.987 20 0 ICADMO CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1CCC[NH+]1CCOCC1 ZINC001495864231 1070203441 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1070205407 /nfs/dbraw/zinc/20/54/07/1070205407.db2.gz BORHHCBIZQPUHS-YZVOILCLSA-N 1 1 441.602 0.335 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001496115244 1070205435 /nfs/dbraw/zinc/20/54/35/1070205435.db2.gz IQPPQLRZMHPZEM-KKUMJFAQSA-N 1 1 429.591 0.286 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001496115246 1070205558 /nfs/dbraw/zinc/20/55/58/1070205558.db2.gz IQPPQLRZMHPZEM-RRFJBIMHSA-N 1 1 429.591 0.286 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001496115249 1070205475 /nfs/dbraw/zinc/20/54/75/1070205475.db2.gz IQPPQLRZMHPZEM-SOUVJXGZSA-N 1 1 429.591 0.286 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001496115251 1070206015 /nfs/dbraw/zinc/20/60/15/1070206015.db2.gz IQPPQLRZMHPZEM-ZNMIVQPWSA-N 1 1 429.591 0.286 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001496115296 1070206447 /nfs/dbraw/zinc/20/64/47/1070206447.db2.gz IYMZZINVKZOVMU-AJNGGQMLSA-N 1 1 444.558 0.733 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001496115298 1070206328 /nfs/dbraw/zinc/20/63/28/1070206328.db2.gz IYMZZINVKZOVMU-BYNSBNAKSA-N 1 1 444.558 0.733 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001496115299 1070206166 /nfs/dbraw/zinc/20/61/66/1070206166.db2.gz IYMZZINVKZOVMU-XQLPTFJDSA-N 1 1 444.558 0.733 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001496115300 1070206104 /nfs/dbraw/zinc/20/61/04/1070206104.db2.gz IYMZZINVKZOVMU-ZQDZILKHSA-N 1 1 444.558 0.733 20 0 ICADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001496138036 1070206045 /nfs/dbraw/zinc/20/60/45/1070206045.db2.gz KVZZAEJESMPQIN-CVEARBPZSA-N 1 1 426.525 0.217 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001496138037 1070206366 /nfs/dbraw/zinc/20/63/66/1070206366.db2.gz KVZZAEJESMPQIN-HOTGVXAUSA-N 1 1 426.525 0.217 20 0 ICADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001496138038 1070206232 /nfs/dbraw/zinc/20/62/32/1070206232.db2.gz KVZZAEJESMPQIN-HZPDHXFCSA-N 1 1 426.525 0.217 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001496138039 1070206434 /nfs/dbraw/zinc/20/64/34/1070206434.db2.gz KVZZAEJESMPQIN-JKSUJKDBSA-N 1 1 426.525 0.217 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001496150466 1070206407 /nfs/dbraw/zinc/20/64/07/1070206407.db2.gz BJGSCYPABUWNTD-HNNXBMFYSA-N 1 1 438.602 0.927 20 0 ICADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001496150467 1070206300 /nfs/dbraw/zinc/20/63/00/1070206300.db2.gz BJGSCYPABUWNTD-OAHLLOKOSA-N 1 1 438.602 0.927 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001496159508 1070206071 /nfs/dbraw/zinc/20/60/71/1070206071.db2.gz INCBJKRBACRXMQ-DOTOQJQBSA-N 1 1 443.556 0.546 20 0 ICADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001496159509 1070206349 /nfs/dbraw/zinc/20/63/49/1070206349.db2.gz INCBJKRBACRXMQ-NVXWUHKLSA-N 1 1 443.556 0.546 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001496159513 1070206458 /nfs/dbraw/zinc/20/64/58/1070206458.db2.gz INCBJKRBACRXMQ-RDJZCZTQSA-N 1 1 443.556 0.546 20 0 ICADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001496159515 1070206311 /nfs/dbraw/zinc/20/63/11/1070206311.db2.gz INCBJKRBACRXMQ-WBVHZDCISA-N 1 1 443.556 0.546 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001496160116 1070206423 /nfs/dbraw/zinc/20/64/23/1070206423.db2.gz LQDVEHWZBSJTHX-DLBZAZTESA-N 1 1 440.552 0.526 20 0 ICADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001496160117 1070206206 /nfs/dbraw/zinc/20/62/06/1070206206.db2.gz LQDVEHWZBSJTHX-IAGOWNOFSA-N 1 1 440.552 0.526 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001496160118 1070206386 /nfs/dbraw/zinc/20/63/86/1070206386.db2.gz LQDVEHWZBSJTHX-IRXDYDNUSA-N 1 1 440.552 0.526 20 0 ICADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001496160119 1070206140 /nfs/dbraw/zinc/20/61/40/1070206140.db2.gz LQDVEHWZBSJTHX-SJORKVTESA-N 1 1 440.552 0.526 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001496161197 1070206264 /nfs/dbraw/zinc/20/62/64/1070206264.db2.gz WOXVDISXVYSSFO-ARFHVFGLSA-N 1 1 426.587 0.973 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001496161198 1070207206 /nfs/dbraw/zinc/20/72/06/1070207206.db2.gz WOXVDISXVYSSFO-HRCADAONSA-N 1 1 426.587 0.973 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001496161199 1070206812 /nfs/dbraw/zinc/20/68/12/1070206812.db2.gz WOXVDISXVYSSFO-JYJNAYRXSA-N 1 1 426.587 0.973 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001496161200 1070207004 /nfs/dbraw/zinc/20/70/04/1070207004.db2.gz WOXVDISXVYSSFO-XHSDSOJGSA-N 1 1 426.587 0.973 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1 ZINC001496164624 1070206769 /nfs/dbraw/zinc/20/67/69/1070206769.db2.gz MBLWIEWGVKVVQS-DLBZAZTESA-N 1 1 440.614 0.969 20 0 ICADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1 ZINC001496164625 1070207157 /nfs/dbraw/zinc/20/71/57/1070207157.db2.gz MBLWIEWGVKVVQS-IAGOWNOFSA-N 1 1 440.614 0.969 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1 ZINC001496164626 1070207314 /nfs/dbraw/zinc/20/73/14/1070207314.db2.gz MBLWIEWGVKVVQS-IRXDYDNUSA-N 1 1 440.614 0.969 20 0 ICADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1 ZINC001496164627 1070207036 /nfs/dbraw/zinc/20/70/36/1070207036.db2.gz MBLWIEWGVKVVQS-SJORKVTESA-N 1 1 440.614 0.969 20 0 ICADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCn2nc(C)nc2C1 ZINC001496165631 1070207239 /nfs/dbraw/zinc/20/72/39/1070207239.db2.gz PDKWEQMTQVKTIC-GDBMZVCRSA-N 1 1 436.586 0.831 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCn2nc(C)nc2C1 ZINC001496165634 1070206971 /nfs/dbraw/zinc/20/69/71/1070206971.db2.gz PDKWEQMTQVKTIC-GOEBONIOSA-N 1 1 436.586 0.831 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCn2nc(C)nc2C1 ZINC001496165636 1070207124 /nfs/dbraw/zinc/20/71/24/1070207124.db2.gz PDKWEQMTQVKTIC-HOCLYGCPSA-N 1 1 436.586 0.831 20 0 ICADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCn2nc(C)nc2C1 ZINC001496165638 1070207344 /nfs/dbraw/zinc/20/73/44/1070207344.db2.gz PDKWEQMTQVKTIC-ZBFHGGJFSA-N 1 1 436.586 0.831 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c(CC(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001496172445 1070207191 /nfs/dbraw/zinc/20/71/91/1070207191.db2.gz HNXJBDACOARJFS-KRWDZBQOSA-N 1 1 432.577 0.542 20 0 ICADMO CC[C@@H](C)[N@@H+](C)CCn1c(CC(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001496172449 1070206727 /nfs/dbraw/zinc/20/67/27/1070206727.db2.gz HNXJBDACOARJFS-QGZVFWFLSA-N 1 1 432.577 0.542 20 0 ICADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001496176026 1070206903 /nfs/dbraw/zinc/20/69/03/1070206903.db2.gz WKHFDKFUBOUEMO-AEFFLSMTSA-N 1 1 440.552 0.141 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001496176028 1070206925 /nfs/dbraw/zinc/20/69/25/1070206925.db2.gz WKHFDKFUBOUEMO-FUHWJXTLSA-N 1 1 440.552 0.141 20 0 ICADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001496176031 1070206946 /nfs/dbraw/zinc/20/69/46/1070206946.db2.gz WKHFDKFUBOUEMO-SJLPKXTDSA-N 1 1 440.552 0.141 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001496176033 1070207998 /nfs/dbraw/zinc/20/79/98/1070207998.db2.gz WKHFDKFUBOUEMO-WMZOPIPTSA-N 1 1 440.552 0.141 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c(CC2CC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001496178645 1070207768 /nfs/dbraw/zinc/20/77/68/1070207768.db2.gz FFGQABDAISXYOX-INIZCTEOSA-N 1 1 430.561 0.296 20 0 ICADMO CC[C@@H](C)[N@@H+](C)CCn1c(CC2CC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001496178646 1070207891 /nfs/dbraw/zinc/20/78/91/1070207891.db2.gz FFGQABDAISXYOX-MRXNPFEDSA-N 1 1 430.561 0.296 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001496181144 1070207975 /nfs/dbraw/zinc/20/79/75/1070207975.db2.gz PGMGSVLMSZVQPI-DOTOQJQBSA-N 1 1 445.593 0.808 20 0 ICADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001496181145 1070207786 /nfs/dbraw/zinc/20/77/86/1070207786.db2.gz PGMGSVLMSZVQPI-NVXWUHKLSA-N 1 1 445.593 0.808 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001496181146 1070207929 /nfs/dbraw/zinc/20/79/29/1070207929.db2.gz PGMGSVLMSZVQPI-RDJZCZTQSA-N 1 1 445.593 0.808 20 0 ICADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001496181147 1070208016 /nfs/dbraw/zinc/20/80/16/1070208016.db2.gz PGMGSVLMSZVQPI-WBVHZDCISA-N 1 1 445.593 0.808 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001496198002 1070207815 /nfs/dbraw/zinc/20/78/15/1070207815.db2.gz NBHHWDITORYXEV-FJIDUMEYSA-N 1 1 438.573 0.684 20 0 ICADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001496198003 1070208115 /nfs/dbraw/zinc/20/81/15/1070208115.db2.gz NBHHWDITORYXEV-OWSLCNJRSA-N 1 1 438.573 0.684 20 0 ICADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001496198004 1070208045 /nfs/dbraw/zinc/20/80/45/1070208045.db2.gz NBHHWDITORYXEV-XDNAFOTISA-N 1 1 438.573 0.684 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001496198005 1070207870 /nfs/dbraw/zinc/20/78/70/1070207870.db2.gz NBHHWDITORYXEV-XSLAGTTESA-N 1 1 438.573 0.684 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c(N2CCN(C(=O)Cn3cnnn3)CC2)nnc1C(C)(C)C ZINC001496200589 1070207956 /nfs/dbraw/zinc/20/79/56/1070207956.db2.gz XHUBKKMNSLJVHT-INIZCTEOSA-N 1 1 432.577 0.641 20 0 ICADMO CC[C@@H](C)[N@@H+](C)CCn1c(N2CCN(C(=O)Cn3cnnn3)CC2)nnc1C(C)(C)C ZINC001496200591 1070208063 /nfs/dbraw/zinc/20/80/63/1070208063.db2.gz XHUBKKMNSLJVHT-MRXNPFEDSA-N 1 1 432.577 0.641 20 0 ICADMO CC[C@H](C)NC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001496223614 1070208709 /nfs/dbraw/zinc/20/87/09/1070208709.db2.gz PKZWYKJJOUZRBN-ARFHVFGLSA-N 1 1 443.618 0.724 20 0 ICADMO CC[C@H](C)NC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001496223615 1070208464 /nfs/dbraw/zinc/20/84/64/1070208464.db2.gz PKZWYKJJOUZRBN-HRCADAONSA-N 1 1 443.618 0.724 20 0 ICADMO CC[C@H](C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001496223616 1070208568 /nfs/dbraw/zinc/20/85/68/1070208568.db2.gz PKZWYKJJOUZRBN-JYJNAYRXSA-N 1 1 443.618 0.724 20 0 ICADMO CC[C@H](C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001496223617 1070208826 /nfs/dbraw/zinc/20/88/26/1070208826.db2.gz PKZWYKJJOUZRBN-XHSDSOJGSA-N 1 1 443.618 0.724 20 0 ICADMO CC[C@H](C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001496257478 1070209388 /nfs/dbraw/zinc/20/93/88/1070209388.db2.gz JXJBJMSKTKUMJI-GSHUGGBRSA-N 1 1 447.584 0.835 20 0 ICADMO CC[C@H](C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001496257481 1070209281 /nfs/dbraw/zinc/20/92/81/1070209281.db2.gz JXJBJMSKTKUMJI-HOIFWPIMSA-N 1 1 447.584 0.835 20 0 ICADMO CC[C@H](C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001496257483 1070209514 /nfs/dbraw/zinc/20/95/14/1070209514.db2.gz JXJBJMSKTKUMJI-JKSBSHDWSA-N 1 1 447.584 0.835 20 0 ICADMO CC[C@H](C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001496257486 1070209301 /nfs/dbraw/zinc/20/93/01/1070209301.db2.gz JXJBJMSKTKUMJI-PNLZDCPESA-N 1 1 447.584 0.835 20 0 ICADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001496318444 1070214554 /nfs/dbraw/zinc/21/45/54/1070214554.db2.gz XPRIHMIIMCQCQK-FDDCHVKYSA-N 1 1 449.644 0.970 20 0 ICADMO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001496318445 1070214369 /nfs/dbraw/zinc/21/43/69/1070214369.db2.gz XPRIHMIIMCQCQK-JPYJTQIMSA-N 1 1 449.644 0.970 20 0 ICADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001496318446 1070214233 /nfs/dbraw/zinc/21/42/33/1070214233.db2.gz XPRIHMIIMCQCQK-MBSDFSHPSA-N 1 1 449.644 0.970 20 0 ICADMO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001496318447 1070214487 /nfs/dbraw/zinc/21/44/87/1070214487.db2.gz XPRIHMIIMCQCQK-WZONZLPQSA-N 1 1 449.644 0.970 20 0 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CCC(CC)NC(=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ncn(C)n1 ZINC001496740709 1070217288 /nfs/dbraw/zinc/21/72/88/1070217288.db2.gz NUQNTPDGTQCMQY-IYBDPMFKSA-N 1 1 447.588 0.919 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ncn(C)n1 ZINC001496740709 1070217272 /nfs/dbraw/zinc/21/72/72/1070217272.db2.gz NUQNTPDGTQCMQY-IYBDPMFKSA-N 1 1 447.588 0.919 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(=O)N(C)C ZINC001496741369 1070217443 /nfs/dbraw/zinc/21/74/43/1070217443.db2.gz XVUKJRJQUWVNBW-IYBDPMFKSA-N 1 1 437.589 0.830 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(=O)N(C)C ZINC001496741369 1070217435 /nfs/dbraw/zinc/21/74/35/1070217435.db2.gz XVUKJRJQUWVNBW-IYBDPMFKSA-N 1 1 437.589 0.830 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001496750756 1070217894 /nfs/dbraw/zinc/21/78/94/1070217894.db2.gz HFXYXEUBDIYMRG-AEFFLSMTSA-N 1 1 449.600 0.710 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001496750759 1070218082 /nfs/dbraw/zinc/21/80/82/1070218082.db2.gz HFXYXEUBDIYMRG-FUHWJXTLSA-N 1 1 449.600 0.710 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001496750761 1070218107 /nfs/dbraw/zinc/21/81/07/1070218107.db2.gz HFXYXEUBDIYMRG-SJLPKXTDSA-N 1 1 449.600 0.710 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001496750764 1070217850 /nfs/dbraw/zinc/21/78/50/1070217850.db2.gz HFXYXEUBDIYMRG-WMZOPIPTSA-N 1 1 449.600 0.710 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1Cc1cnnn1C ZINC001496759354 1070218559 /nfs/dbraw/zinc/21/85/59/1070218559.db2.gz BXKDOCCCXOBOLB-CRAIPNDOSA-N 1 1 445.572 0.530 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1Cc1cnnn1C ZINC001496759356 1070218637 /nfs/dbraw/zinc/21/86/37/1070218637.db2.gz BXKDOCCCXOBOLB-MAUKXSAKSA-N 1 1 445.572 0.530 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1Cc1cnnn1C ZINC001496759357 1070218486 /nfs/dbraw/zinc/21/84/86/1070218486.db2.gz BXKDOCCCXOBOLB-QAPCUYQASA-N 1 1 445.572 0.530 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1Cc1cnnn1C ZINC001496759359 1070218581 /nfs/dbraw/zinc/21/85/81/1070218581.db2.gz BXKDOCCCXOBOLB-YJBOKZPZSA-N 1 1 445.572 0.530 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CCCNC(C)=O ZINC001496762915 1070218462 /nfs/dbraw/zinc/21/84/62/1070218462.db2.gz MVXPFPVGURJGHV-APWZRJJASA-N 1 1 449.600 0.880 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCCNC(C)=O ZINC001496762917 1070219257 /nfs/dbraw/zinc/21/92/57/1070219257.db2.gz MVXPFPVGURJGHV-LPHOPBHVSA-N 1 1 449.600 0.880 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCCNC(C)=O ZINC001496762918 1070219193 /nfs/dbraw/zinc/21/91/93/1070219193.db2.gz MVXPFPVGURJGHV-QFBILLFUSA-N 1 1 449.600 0.880 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCCNC(C)=O ZINC001496762919 1070219317 /nfs/dbraw/zinc/21/93/17/1070219317.db2.gz MVXPFPVGURJGHV-VQIMIIECSA-N 1 1 449.600 0.880 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)OC)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001496797205 1070219891 /nfs/dbraw/zinc/21/98/91/1070219891.db2.gz KBKWAGKFJYHDJM-NRFANRHFSA-N 1 1 436.557 0.653 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)OC)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001496797206 1070219943 /nfs/dbraw/zinc/21/99/43/1070219943.db2.gz KBKWAGKFJYHDJM-OAQYLSRUSA-N 1 1 436.557 0.653 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCC(C(N)=O)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001496799348 1070220024 /nfs/dbraw/zinc/22/00/24/1070220024.db2.gz OEIPPPYMUALPPS-INIZCTEOSA-N 1 1 449.600 0.867 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCC(C(N)=O)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001496799350 1070219767 /nfs/dbraw/zinc/21/97/67/1070219767.db2.gz OEIPPPYMUALPPS-MRXNPFEDSA-N 1 1 449.600 0.867 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C(N)=O)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001496800239 1070220461 /nfs/dbraw/zinc/22/04/61/1070220461.db2.gz WVORLWLHRJYGAW-CVEARBPZSA-N 1 1 435.573 0.476 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C(N)=O)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001496800242 1070220325 /nfs/dbraw/zinc/22/03/25/1070220325.db2.gz WVORLWLHRJYGAW-HOTGVXAUSA-N 1 1 435.573 0.476 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C(N)=O)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001496800244 1070220433 /nfs/dbraw/zinc/22/04/33/1070220433.db2.gz WVORLWLHRJYGAW-HZPDHXFCSA-N 1 1 435.573 0.476 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C(N)=O)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001496800246 1070220353 /nfs/dbraw/zinc/22/03/53/1070220353.db2.gz WVORLWLHRJYGAW-JKSUJKDBSA-N 1 1 435.573 0.476 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001496824498 1070221061 /nfs/dbraw/zinc/22/10/61/1070221061.db2.gz YDMUSYNRMWFICH-AOMKIAJQSA-N 1 1 444.584 0.991 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001496824499 1070221232 /nfs/dbraw/zinc/22/12/32/1070221232.db2.gz YDMUSYNRMWFICH-KSFYIVLOSA-N 1 1 444.584 0.991 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001496824500 1070221256 /nfs/dbraw/zinc/22/12/56/1070221256.db2.gz YDMUSYNRMWFICH-OPAMFIHVSA-N 1 1 444.584 0.991 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001496824501 1070221033 /nfs/dbraw/zinc/22/10/33/1070221033.db2.gz YDMUSYNRMWFICH-ZHRRBRCNSA-N 1 1 444.584 0.991 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CC(=O)NC(C)C ZINC001496831694 1070221167 /nfs/dbraw/zinc/22/11/67/1070221167.db2.gz DKZXRCLFZZKYJO-KRWDZBQOSA-N 1 1 449.600 0.880 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CC(=O)NC(C)C ZINC001496831695 1070220933 /nfs/dbraw/zinc/22/09/33/1070220933.db2.gz DKZXRCLFZZKYJO-QGZVFWFLSA-N 1 1 449.600 0.880 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1cnnn1C ZINC001496833650 1070220982 /nfs/dbraw/zinc/22/09/82/1070220982.db2.gz ZFKXIHDMENHEGL-INIZCTEOSA-N 1 1 445.572 0.532 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1Cc1cnnn1C ZINC001496833651 1070221115 /nfs/dbraw/zinc/22/11/15/1070221115.db2.gz ZFKXIHDMENHEGL-MRXNPFEDSA-N 1 1 445.572 0.532 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCC(CC(N)=O)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001496856579 1070221703 /nfs/dbraw/zinc/22/17/03/1070221703.db2.gz ZKJWBIAIVQFQGY-NRFANRHFSA-N 1 1 435.573 0.355 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCC(CC(N)=O)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001496856582 1070221848 /nfs/dbraw/zinc/22/18/48/1070221848.db2.gz ZKJWBIAIVQFQGY-OAQYLSRUSA-N 1 1 435.573 0.355 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH]c3=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001496899428 1070222376 /nfs/dbraw/zinc/22/23/76/1070222376.db2.gz BAKMSTLZAYTXMT-JOCHJYFZSA-N 1 1 443.552 0.926 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH]c3=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001496899429 1070222230 /nfs/dbraw/zinc/22/22/30/1070222230.db2.gz BAKMSTLZAYTXMT-QFIPXVFZSA-N 1 1 443.552 0.926 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001496946931 1070223356 /nfs/dbraw/zinc/22/33/56/1070223356.db2.gz ONIDNALDCYIYSC-BTYIYWSLSA-N 1 1 435.573 0.355 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001496946932 1070223419 /nfs/dbraw/zinc/22/34/19/1070223419.db2.gz ONIDNALDCYIYSC-QVKFZJNVSA-N 1 1 435.573 0.355 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001496946933 1070223545 /nfs/dbraw/zinc/22/35/45/1070223545.db2.gz ONIDNALDCYIYSC-VFNWGFHPSA-N 1 1 435.573 0.355 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001496946934 1070223577 /nfs/dbraw/zinc/22/35/77/1070223577.db2.gz ONIDNALDCYIYSC-YCRPNKLZSA-N 1 1 435.573 0.355 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)COC)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001497008807 1070224522 /nfs/dbraw/zinc/22/45/22/1070224522.db2.gz AYIURVWKQUYSJO-UHFFFAOYSA-N 1 1 447.584 0.753 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001497019430 1070225175 /nfs/dbraw/zinc/22/51/75/1070225175.db2.gz BZOXZEVSJGCAST-IBGZPJMESA-N 1 1 449.600 0.712 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001497019431 1070225310 /nfs/dbraw/zinc/22/53/10/1070225310.db2.gz BZOXZEVSJGCAST-LJQANCHMSA-N 1 1 449.600 0.712 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCN(C)C(=O)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001497026508 1070225963 /nfs/dbraw/zinc/22/59/63/1070225963.db2.gz IVQKZXCROUHXTA-GOSISDBHSA-N 1 1 449.600 0.832 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCN(C)C(=O)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001497026509 1070226106 /nfs/dbraw/zinc/22/61/06/1070226106.db2.gz IVQKZXCROUHXTA-SFHVURJKSA-N 1 1 449.600 0.832 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001497028927 1070225867 /nfs/dbraw/zinc/22/58/67/1070225867.db2.gz UEGBRBSAGRHQPU-BTYIYWSLSA-N 1 1 435.573 0.320 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001497028929 1070226791 /nfs/dbraw/zinc/22/67/91/1070226791.db2.gz UEGBRBSAGRHQPU-QVKFZJNVSA-N 1 1 435.573 0.320 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001497028931 1070226549 /nfs/dbraw/zinc/22/65/49/1070226549.db2.gz UEGBRBSAGRHQPU-VFNWGFHPSA-N 1 1 435.573 0.320 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001497028934 1070226717 /nfs/dbraw/zinc/22/67/17/1070226717.db2.gz UEGBRBSAGRHQPU-YCRPNKLZSA-N 1 1 435.573 0.320 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CCCC[NH+]1CCOCC1 ZINC001497030089 1070226690 /nfs/dbraw/zinc/22/66/90/1070226690.db2.gz XGOCVNIDCPVRIF-KRWDZBQOSA-N 1 1 449.600 0.976 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CCCC[NH+]1CCOCC1 ZINC001497030092 1070226594 /nfs/dbraw/zinc/22/65/94/1070226594.db2.gz XGOCVNIDCPVRIF-QGZVFWFLSA-N 1 1 449.600 0.976 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCOC)CC2)n1C[C@@]1(C)COCCO1 ZINC001497069806 1070227487 /nfs/dbraw/zinc/22/74/87/1070227487.db2.gz DMKAJVNYFHZMGP-NRFANRHFSA-N 1 1 438.573 0.770 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCOC)CC2)n1C[C@]1(C)COCCO1 ZINC001497069807 1070227328 /nfs/dbraw/zinc/22/73/28/1070227328.db2.gz DMKAJVNYFHZMGP-OAQYLSRUSA-N 1 1 438.573 0.770 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCC(=O)NC ZINC001497070531 1070227171 /nfs/dbraw/zinc/22/71/71/1070227171.db2.gz LGCNPPYXCOOWMT-KRWDZBQOSA-N 1 1 435.573 0.634 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCC(=O)NC ZINC001497070536 1070227986 /nfs/dbraw/zinc/22/79/86/1070227986.db2.gz LGCNPPYXCOOWMT-QGZVFWFLSA-N 1 1 435.573 0.634 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1C[C@]1(O)CCOC1 ZINC001497071000 1070228100 /nfs/dbraw/zinc/22/81/00/1070228100.db2.gz NPLMGCFFEQDQCO-HRAATJIYSA-N 1 1 438.573 0.505 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1C[C@@]1(O)CCOC1 ZINC001497071001 1070227941 /nfs/dbraw/zinc/22/79/41/1070227941.db2.gz NPLMGCFFEQDQCO-IERDGZPVSA-N 1 1 438.573 0.505 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1C[C@]1(O)CCOC1 ZINC001497071003 1070228173 /nfs/dbraw/zinc/22/81/73/1070228173.db2.gz NPLMGCFFEQDQCO-IIBYNOLFSA-N 1 1 438.573 0.505 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1C[C@@]1(O)CCOC1 ZINC001497071004 1070228214 /nfs/dbraw/zinc/22/82/14/1070228214.db2.gz NPLMGCFFEQDQCO-KKSFZXQISA-N 1 1 438.573 0.505 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCOC)CC2)n1C[C@]1(O)CCO[C@H]1C ZINC001497071424 1070228135 /nfs/dbraw/zinc/22/81/35/1070228135.db2.gz PXXPREMUPGUQFN-HRAATJIYSA-N 1 1 438.573 0.505 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCOC)CC2)n1C[C@@]1(O)CCO[C@@H]1C ZINC001497071425 1070227873 /nfs/dbraw/zinc/22/78/73/1070227873.db2.gz PXXPREMUPGUQFN-IERDGZPVSA-N 1 1 438.573 0.505 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCOC)CC2)n1C[C@]1(O)CCO[C@@H]1C ZINC001497071427 1070228238 /nfs/dbraw/zinc/22/82/38/1070228238.db2.gz PXXPREMUPGUQFN-IIBYNOLFSA-N 1 1 438.573 0.505 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCOC)CC2)n1C[C@@]1(O)CCO[C@H]1C ZINC001497071430 1070228072 /nfs/dbraw/zinc/22/80/72/1070228072.db2.gz PXXPREMUPGUQFN-KKSFZXQISA-N 1 1 438.573 0.505 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1C[C@]1(C)CN(C)C1=O ZINC001497073432 1070228729 /nfs/dbraw/zinc/22/87/29/1070228729.db2.gz ZBHOHQMHYXASAH-AOMKIAJQSA-N 1 1 449.600 0.832 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1C[C@@]1(C)CN(C)C1=O ZINC001497073436 1070228653 /nfs/dbraw/zinc/22/86/53/1070228653.db2.gz ZBHOHQMHYXASAH-KSFYIVLOSA-N 1 1 449.600 0.832 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1C[C@@]1(C)CN(C)C1=O ZINC001497073438 1070228712 /nfs/dbraw/zinc/22/87/12/1070228712.db2.gz ZBHOHQMHYXASAH-OPAMFIHVSA-N 1 1 449.600 0.832 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1C[C@]1(C)CN(C)C1=O ZINC001497073441 1070228629 /nfs/dbraw/zinc/22/86/29/1070228629.db2.gz ZBHOHQMHYXASAH-ZHRRBRCNSA-N 1 1 449.600 0.832 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCn1cc[nH+]c1C ZINC001497073646 1070229201 /nfs/dbraw/zinc/22/92/01/1070229201.db2.gz FHZLEOIUJFGXGA-INIZCTEOSA-N 1 1 429.529 0.615 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCn1cc[nH+]c1C ZINC001497073647 1070229424 /nfs/dbraw/zinc/22/94/24/1070229424.db2.gz FHZLEOIUJFGXGA-MRXNPFEDSA-N 1 1 429.529 0.615 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCNC(=O)C(C)C ZINC001497073860 1070229293 /nfs/dbraw/zinc/22/92/93/1070229293.db2.gz FMBGBUIZGHRRKG-KRWDZBQOSA-N 1 1 435.573 0.490 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCNC(=O)C(C)C ZINC001497073860 1070229287 /nfs/dbraw/zinc/22/92/87/1070229287.db2.gz FMBGBUIZGHRRKG-KRWDZBQOSA-N 1 1 435.573 0.490 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCNC(=O)C(C)C ZINC001497073861 1070229173 /nfs/dbraw/zinc/22/91/73/1070229173.db2.gz FMBGBUIZGHRRKG-QGZVFWFLSA-N 1 1 435.573 0.490 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCNC(=O)C(C)C ZINC001497073861 1070229164 /nfs/dbraw/zinc/22/91/64/1070229164.db2.gz FMBGBUIZGHRRKG-QGZVFWFLSA-N 1 1 435.573 0.490 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@H]1NC(=O)CC1(C)C ZINC001497074014 1070229398 /nfs/dbraw/zinc/22/93/98/1070229398.db2.gz GMOKDXCYBCECKF-DLBZAZTESA-N 1 1 447.584 0.632 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@H]1NC(=O)CC1(C)C ZINC001497074014 1070229386 /nfs/dbraw/zinc/22/93/86/1070229386.db2.gz GMOKDXCYBCECKF-DLBZAZTESA-N 1 1 447.584 0.632 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@H]1NC(=O)CC1(C)C ZINC001497074015 1070229236 /nfs/dbraw/zinc/22/92/36/1070229236.db2.gz GMOKDXCYBCECKF-IAGOWNOFSA-N 1 1 447.584 0.632 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@H]1NC(=O)CC1(C)C ZINC001497074015 1070229224 /nfs/dbraw/zinc/22/92/24/1070229224.db2.gz GMOKDXCYBCECKF-IAGOWNOFSA-N 1 1 447.584 0.632 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001497074016 1070229123 /nfs/dbraw/zinc/22/91/23/1070229123.db2.gz GMOKDXCYBCECKF-IRXDYDNUSA-N 1 1 447.584 0.632 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001497074016 1070229109 /nfs/dbraw/zinc/22/91/09/1070229109.db2.gz GMOKDXCYBCECKF-IRXDYDNUSA-N 1 1 447.584 0.632 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001497074017 1070229355 /nfs/dbraw/zinc/22/93/55/1070229355.db2.gz GMOKDXCYBCECKF-SJORKVTESA-N 1 1 447.584 0.632 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001497074017 1070229348 /nfs/dbraw/zinc/22/93/48/1070229348.db2.gz GMOKDXCYBCECKF-SJORKVTESA-N 1 1 447.584 0.632 20 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CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCCNC(=O)C(C)C ZINC001497076848 1070230614 /nfs/dbraw/zinc/23/06/14/1070230614.db2.gz VWXPLVHYWABBQC-SFHVURJKSA-N 1 1 449.600 0.880 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@@H]2CC)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001497084244 1070230544 /nfs/dbraw/zinc/23/05/44/1070230544.db2.gz AAQXHESKWLFDQE-AEFFLSMTSA-N 1 1 449.600 0.880 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@H]2CC)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001497084249 1070230496 /nfs/dbraw/zinc/23/04/96/1070230496.db2.gz AAQXHESKWLFDQE-FUHWJXTLSA-N 1 1 449.600 0.880 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@H]2CC)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001497084254 1070230418 /nfs/dbraw/zinc/23/04/18/1070230418.db2.gz AAQXHESKWLFDQE-SJLPKXTDSA-N 1 1 449.600 0.880 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@@H]2CC)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001497084260 1070230658 /nfs/dbraw/zinc/23/06/58/1070230658.db2.gz AAQXHESKWLFDQE-WMZOPIPTSA-N 1 1 449.600 0.880 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001497102459 1070232069 /nfs/dbraw/zinc/23/20/69/1070232069.db2.gz KXXISBFHPHUSKN-HKUYNNGSSA-N 1 1 449.600 0.880 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001497102462 1070232168 /nfs/dbraw/zinc/23/21/68/1070232168.db2.gz KXXISBFHPHUSKN-IEBWSBKVSA-N 1 1 449.600 0.880 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001497102464 1070232343 /nfs/dbraw/zinc/23/23/43/1070232343.db2.gz KXXISBFHPHUSKN-MJGOQNOKSA-N 1 1 449.600 0.880 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001497102466 1070232777 /nfs/dbraw/zinc/23/27/77/1070232777.db2.gz KXXISBFHPHUSKN-PKOBYXMFSA-N 1 1 449.600 0.880 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1CCn1cc[nH+]c1C ZINC001497102829 1070232885 /nfs/dbraw/zinc/23/28/85/1070232885.db2.gz NPYDPKOJGKUZHR-GOSISDBHSA-N 1 1 446.556 0.743 20 0 ICADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1CCn1cc[nH+]c1C ZINC001497102830 1070232905 /nfs/dbraw/zinc/23/29/05/1070232905.db2.gz NPYDPKOJGKUZHR-SFHVURJKSA-N 1 1 446.556 0.743 20 0 ICADMO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)OC ZINC001497155963 1070234603 /nfs/dbraw/zinc/23/46/03/1070234603.db2.gz GOXCWVXWBSGSJA-GOSISDBHSA-N 1 1 449.600 0.976 20 0 ICADMO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1)OC ZINC001497155963 1070234593 /nfs/dbraw/zinc/23/45/93/1070234593.db2.gz GOXCWVXWBSGSJA-GOSISDBHSA-N 1 1 449.600 0.976 20 0 ICADMO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)OC ZINC001497155967 1070234773 /nfs/dbraw/zinc/23/47/73/1070234773.db2.gz GOXCWVXWBSGSJA-SFHVURJKSA-N 1 1 449.600 0.976 20 0 ICADMO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1)OC ZINC001497155967 1070234761 /nfs/dbraw/zinc/23/47/61/1070234761.db2.gz GOXCWVXWBSGSJA-SFHVURJKSA-N 1 1 449.600 0.976 20 0 ICADMO CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)OC ZINC001497279216 1070236506 /nfs/dbraw/zinc/23/65/06/1070236506.db2.gz PEBQWETYDRTDTN-MSOLQXFVSA-N 1 1 430.557 0.846 20 0 ICADMO CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)OC ZINC001497279220 1070236649 /nfs/dbraw/zinc/23/66/49/1070236649.db2.gz PEBQWETYDRTDTN-QZTJIDSGSA-N 1 1 430.557 0.846 20 0 ICADMO CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)OC ZINC001497279224 1070236479 /nfs/dbraw/zinc/23/64/79/1070236479.db2.gz PEBQWETYDRTDTN-ROUUACIJSA-N 1 1 430.557 0.846 20 0 ICADMO CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)OC ZINC001497279228 1070236316 /nfs/dbraw/zinc/23/63/16/1070236316.db2.gz PEBQWETYDRTDTN-ZWKOTPCHSA-N 1 1 430.557 0.846 20 0 ICADMO CCc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001497891949 1070244293 /nfs/dbraw/zinc/24/42/93/1070244293.db2.gz NHEDNOWUIRHYMY-FQEVSTJZSA-N 1 1 439.564 0.983 20 0 ICADMO 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CCc1ccc(-c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001497972776 1070244773 /nfs/dbraw/zinc/24/47/73/1070244773.db2.gz VJGJHAFARDIMOC-GCJKJVERSA-N 1 1 428.537 0.525 20 0 ICADMO CCc1ccc(-c2nnc(N3CCO[C@H](C(=O)NC)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001497972777 1070244914 /nfs/dbraw/zinc/24/49/14/1070244914.db2.gz VJGJHAFARDIMOC-PGRDOPGGSA-N 1 1 428.537 0.525 20 0 ICADMO CCc1ccc(-c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001497972778 1070244798 /nfs/dbraw/zinc/24/47/98/1070244798.db2.gz VJGJHAFARDIMOC-XMSQKQJNSA-N 1 1 428.537 0.525 20 0 ICADMO CCc1ccccc1OCc1nnc(N2CCN(C)C(=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001498098065 1070245366 /nfs/dbraw/zinc/24/53/66/1070245366.db2.gz DCUMLWWCJQKDMU-JOCHJYFZSA-N 1 1 428.537 0.765 20 0 ICADMO CCc1ccccc1OCc1nnc(N2CCN(C)C(=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001498098070 1070245562 /nfs/dbraw/zinc/24/55/62/1070245562.db2.gz DCUMLWWCJQKDMU-QFIPXVFZSA-N 1 1 428.537 0.765 20 0 ICADMO CCc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@@H]3CCCO3)CC2)no1 ZINC001498308881 1070247331 /nfs/dbraw/zinc/24/73/31/1070247331.db2.gz VENSXQHKIZBTMA-INIZCTEOSA-N 1 1 446.556 0.905 20 0 ICADMO CCc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@H]3CCCO3)CC2)no1 ZINC001498308884 1070247210 /nfs/dbraw/zinc/24/72/10/1070247210.db2.gz VENSXQHKIZBTMA-MRXNPFEDSA-N 1 1 446.556 0.905 20 0 ICADMO CCc1nc(CCn2c([C@H]3CCC(=O)N3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)no1 ZINC001498339481 1070247804 /nfs/dbraw/zinc/24/78/04/1070247804.db2.gz MFSOJDBDQMWPEK-OWCLPIDISA-N 1 1 446.556 0.963 20 0 ICADMO CCc1nc(CCn2c([C@H]3CCC(=O)N3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)no1 ZINC001498339481 1070247791 /nfs/dbraw/zinc/24/77/91/1070247791.db2.gz MFSOJDBDQMWPEK-OWCLPIDISA-N 1 1 446.556 0.963 20 0 ICADMO CCc1nc(CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)no1 ZINC001498339484 1070247943 /nfs/dbraw/zinc/24/79/43/1070247943.db2.gz MFSOJDBDQMWPEK-XHSDSOJGSA-N 1 1 446.556 0.963 20 0 ICADMO CCc1nc(CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)no1 ZINC001498339484 1070247932 /nfs/dbraw/zinc/24/79/32/1070247932.db2.gz MFSOJDBDQMWPEK-XHSDSOJGSA-N 1 1 446.556 0.963 20 0 ICADMO CCc1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001498605214 1070251856 /nfs/dbraw/zinc/25/18/56/1070251856.db2.gz DRAPHKZDVXVZAB-KRWDZBQOSA-N 1 1 441.646 0.727 20 0 ICADMO CCc1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001498605218 1070251740 /nfs/dbraw/zinc/25/17/40/1070251740.db2.gz DRAPHKZDVXVZAB-QGZVFWFLSA-N 1 1 441.646 0.727 20 0 ICADMO CCc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001498612673 1070252269 /nfs/dbraw/zinc/25/22/69/1070252269.db2.gz ITHGUPMLURVIDY-CVEARBPZSA-N 1 1 426.587 0.407 20 0 ICADMO CCc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001498612673 1070252258 /nfs/dbraw/zinc/25/22/58/1070252258.db2.gz ITHGUPMLURVIDY-CVEARBPZSA-N 1 1 426.587 0.407 20 0 ICADMO CCc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001498612674 1070252321 /nfs/dbraw/zinc/25/23/21/1070252321.db2.gz ITHGUPMLURVIDY-HOTGVXAUSA-N 1 1 426.587 0.407 20 0 ICADMO CCc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001498612674 1070252310 /nfs/dbraw/zinc/25/23/10/1070252310.db2.gz ITHGUPMLURVIDY-HOTGVXAUSA-N 1 1 426.587 0.407 20 0 ICADMO CCc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001498612675 1070252499 /nfs/dbraw/zinc/25/24/99/1070252499.db2.gz ITHGUPMLURVIDY-HZPDHXFCSA-N 1 1 426.587 0.407 20 0 ICADMO CCc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001498612675 1070252483 /nfs/dbraw/zinc/25/24/83/1070252483.db2.gz ITHGUPMLURVIDY-HZPDHXFCSA-N 1 1 426.587 0.407 20 0 ICADMO CCc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001498612676 1070252382 /nfs/dbraw/zinc/25/23/82/1070252382.db2.gz ITHGUPMLURVIDY-JKSUJKDBSA-N 1 1 426.587 0.407 20 0 ICADMO CCc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001498612676 1070252374 /nfs/dbraw/zinc/25/23/74/1070252374.db2.gz ITHGUPMLURVIDY-JKSUJKDBSA-N 1 1 426.587 0.407 20 0 ICADMO CCc1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CCN1CCCS1(=O)=O ZINC001498623456 1070252737 /nfs/dbraw/zinc/25/27/37/1070252737.db2.gz FBZPVMNNQQXQEB-UHFFFAOYSA-N 1 1 428.603 0.671 20 0 ICADMO CCc1nnc(N(C)CCNS(C)(=O)=O)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001498728175 1070252948 /nfs/dbraw/zinc/25/29/48/1070252948.db2.gz LNBJERKWXAUCDA-KRWDZBQOSA-N 1 1 432.616 0.034 20 0 ICADMO CCc1nnc(N(C)CCNS(C)(=O)=O)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001498728176 1070253085 /nfs/dbraw/zinc/25/30/85/1070253085.db2.gz LNBJERKWXAUCDA-QGZVFWFLSA-N 1 1 432.616 0.034 20 0 ICADMO CCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@@]1(C)CN(C)C1=O ZINC001498812177 1070253137 /nfs/dbraw/zinc/25/31/37/1070253137.db2.gz ALJVINNFAKLABR-AQOAWAETSA-N 1 1 431.585 0.698 20 0 ICADMO CCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@]1(C)CN(C)C1=O ZINC001498812178 1070252799 /nfs/dbraw/zinc/25/27/99/1070252799.db2.gz ALJVINNFAKLABR-CECAUBDESA-N 1 1 431.585 0.698 20 0 ICADMO CCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@]1(C)CN(C)C1=O ZINC001498812179 1070253018 /nfs/dbraw/zinc/25/30/18/1070253018.db2.gz ALJVINNFAKLABR-SGXKBVARSA-N 1 1 431.585 0.698 20 0 ICADMO CCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@]1(C)CN(C)C1=O ZINC001498812180 1070253104 /nfs/dbraw/zinc/25/31/04/1070253104.db2.gz ALJVINNFAKLABR-ZJBJCVSYSA-N 1 1 431.585 0.698 20 0 ICADMO CCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCCc1cnn(C)n1 ZINC001498813477 1070252767 /nfs/dbraw/zinc/25/27/67/1070252767.db2.gz FSSNLWQZWBUEOM-APWZRJJASA-N 1 1 429.573 0.591 20 0 ICADMO CCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CCCc1cnn(C)n1 ZINC001498813481 1070252992 /nfs/dbraw/zinc/25/29/92/1070252992.db2.gz FSSNLWQZWBUEOM-LPHOPBHVSA-N 1 1 429.573 0.591 20 0 ICADMO CCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCCc1cnn(C)n1 ZINC001498813484 1070253661 /nfs/dbraw/zinc/25/36/61/1070253661.db2.gz FSSNLWQZWBUEOM-QFBILLFUSA-N 1 1 429.573 0.591 20 0 ICADMO CCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCCc1cnn(C)n1 ZINC001498813486 1070253864 /nfs/dbraw/zinc/25/38/64/1070253864.db2.gz FSSNLWQZWBUEOM-VQIMIIECSA-N 1 1 429.573 0.591 20 0 ICADMO CCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ccc(C(N)=O)nc1 ZINC001498816906 1070253748 /nfs/dbraw/zinc/25/37/48/1070253748.db2.gz QQCCVEWQCFNHAZ-BEFAXECRSA-N 1 1 440.552 0.372 20 0 ICADMO CCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ccc(C(N)=O)nc1 ZINC001498816907 1070253903 /nfs/dbraw/zinc/25/39/03/1070253903.db2.gz QQCCVEWQCFNHAZ-DNVCBOLYSA-N 1 1 440.552 0.372 20 0 ICADMO CCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ccc(C(N)=O)nc1 ZINC001498816908 1070253508 /nfs/dbraw/zinc/25/35/08/1070253508.db2.gz QQCCVEWQCFNHAZ-HNAYVOBHSA-N 1 1 440.552 0.372 20 0 ICADMO CCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1ccc(C(N)=O)nc1 ZINC001498816909 1070253885 /nfs/dbraw/zinc/25/38/85/1070253885.db2.gz QQCCVEWQCFNHAZ-KXBFYZLASA-N 1 1 440.552 0.372 20 0 ICADMO CCc1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 ZINC001498854178 1070253772 /nfs/dbraw/zinc/25/37/72/1070253772.db2.gz XFDFPJFRXDIBEY-CEXWTWQISA-N 1 1 434.585 0.882 20 0 ICADMO CCc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)n1C[C@H]1CC(=O)N(CCOC)C1 ZINC001498854179 1070253606 /nfs/dbraw/zinc/25/36/06/1070253606.db2.gz XFDFPJFRXDIBEY-FHWLQOOXSA-N 1 1 434.585 0.882 20 0 ICADMO CCc1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1C[C@H]1CC(=O)N(CCOC)C1 ZINC001498854180 1070253635 /nfs/dbraw/zinc/25/36/35/1070253635.db2.gz XFDFPJFRXDIBEY-GBESFXJTSA-N 1 1 434.585 0.882 20 0 ICADMO CCc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 ZINC001498854181 1070253951 /nfs/dbraw/zinc/25/39/51/1070253951.db2.gz XFDFPJFRXDIBEY-QYZOEREBSA-N 1 1 434.585 0.882 20 0 ICADMO CCc1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCCN(CC)S(C)(=O)=O ZINC001498910692 1070255075 /nfs/dbraw/zinc/25/50/75/1070255075.db2.gz HAQZGBFHDLVLSW-IBGZPJMESA-N 1 1 428.603 0.813 20 0 ICADMO CCc1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCCN(CC)S(C)(=O)=O ZINC001498910693 1070254922 /nfs/dbraw/zinc/25/49/22/1070254922.db2.gz HAQZGBFHDLVLSW-LJQANCHMSA-N 1 1 428.603 0.813 20 0 ICADMO CCc1nnc(N2CC[C@@H](CN3CCOCC3)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001498949374 1070255944 /nfs/dbraw/zinc/25/59/44/1070255944.db2.gz JAJRTTFCQJPSEL-PMACEKPBSA-N 1 1 447.628 0.942 20 0 ICADMO CCc1nnc(N2CC[C@H](CN3CCOCC3)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001498949375 1070255608 /nfs/dbraw/zinc/25/56/08/1070255608.db2.gz JAJRTTFCQJPSEL-UXHICEINSA-N 1 1 447.628 0.942 20 0 ICADMO CCc1nnc(N2CC[C@@H](CN3CCOCC3)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001498949376 1070255405 /nfs/dbraw/zinc/25/54/05/1070255405.db2.gz JAJRTTFCQJPSEL-VQTJNVASSA-N 1 1 447.628 0.942 20 0 ICADMO CCc1nnc(N2CC[C@H](CN3CCOCC3)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001498949377 1070255774 /nfs/dbraw/zinc/25/57/74/1070255774.db2.gz JAJRTTFCQJPSEL-WOJBJXKFSA-N 1 1 447.628 0.942 20 0 ICADMO CCc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCCN(CC)S(C)(=O)=O ZINC001498949750 1070255831 /nfs/dbraw/zinc/25/58/31/1070255831.db2.gz NXCSLDUYEUFRFW-KRWDZBQOSA-N 1 1 428.603 0.671 20 0 ICADMO CCc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCCN(CC)S(C)(=O)=O ZINC001498949751 1070255723 /nfs/dbraw/zinc/25/57/23/1070255723.db2.gz NXCSLDUYEUFRFW-QGZVFWFLSA-N 1 1 428.603 0.671 20 0 ICADMO CCc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001498950819 1070255505 /nfs/dbraw/zinc/25/55/05/1070255505.db2.gz FMMISNKRVAKKPA-KRWDZBQOSA-N 1 1 441.646 0.632 20 0 ICADMO CCc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001498950823 1070255851 /nfs/dbraw/zinc/25/58/51/1070255851.db2.gz FMMISNKRVAKKPA-QGZVFWFLSA-N 1 1 441.646 0.632 20 0 ICADMO CCc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001498963953 1070256467 /nfs/dbraw/zinc/25/64/67/1070256467.db2.gz OQXUIONDYPAYTA-UHFFFAOYSA-N 1 1 428.603 0.812 20 0 ICADMO CCc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001498963953 1070256457 /nfs/dbraw/zinc/25/64/57/1070256457.db2.gz OQXUIONDYPAYTA-UHFFFAOYSA-N 1 1 428.603 0.812 20 0 ICADMO CCc1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1CCCN(CC)S(C)(=O)=O ZINC001498969904 1070256290 /nfs/dbraw/zinc/25/62/90/1070256290.db2.gz GSDYROQRCQGRPK-GOSISDBHSA-N 1 1 441.646 0.728 20 0 ICADMO CCc1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1CCCN(CC)S(C)(=O)=O ZINC001498969905 1070256548 /nfs/dbraw/zinc/25/65/48/1070256548.db2.gz GSDYROQRCQGRPK-SFHVURJKSA-N 1 1 441.646 0.728 20 0 ICADMO CCc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CC(=O)N1CCOCC1 ZINC001498971197 1070256606 /nfs/dbraw/zinc/25/66/06/1070256606.db2.gz UOSIPSWHOJNSQP-UHFFFAOYSA-N 1 1 433.601 0.694 20 0 ICADMO CCc1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001499001163 1070257841 /nfs/dbraw/zinc/25/78/41/1070257841.db2.gz DWRUZACMTLGKBK-UHFFFAOYSA-N 1 1 446.600 0.635 20 0 ICADMO CCc1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001499001224 1070257647 /nfs/dbraw/zinc/25/76/47/1070257647.db2.gz HABWBRHAGNKVAJ-INIZCTEOSA-N 1 1 433.557 0.598 20 0 ICADMO CCc1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001499001225 1070257876 /nfs/dbraw/zinc/25/78/76/1070257876.db2.gz HABWBRHAGNKVAJ-MRXNPFEDSA-N 1 1 433.557 0.598 20 0 ICADMO CCc1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001499001292 1070257703 /nfs/dbraw/zinc/25/77/03/1070257703.db2.gz IMJAWZNLOLRVJS-INIZCTEOSA-N 1 1 433.557 0.718 20 0 ICADMO CCc1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001499001293 1070257954 /nfs/dbraw/zinc/25/79/54/1070257954.db2.gz IMJAWZNLOLRVJS-MRXNPFEDSA-N 1 1 433.557 0.718 20 0 ICADMO CCc1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001499053644 1070257673 /nfs/dbraw/zinc/25/76/73/1070257673.db2.gz MBKCDNJFWPBQSJ-MSOLQXFVSA-N 1 1 442.630 0.963 20 0 ICADMO CCc1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001499053645 1070257800 /nfs/dbraw/zinc/25/78/00/1070257800.db2.gz MBKCDNJFWPBQSJ-QZTJIDSGSA-N 1 1 442.630 0.963 20 0 ICADMO CCc1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001499053646 1070258424 /nfs/dbraw/zinc/25/84/24/1070258424.db2.gz MBKCDNJFWPBQSJ-ROUUACIJSA-N 1 1 442.630 0.963 20 0 ICADMO CCc1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001499053647 1070258324 /nfs/dbraw/zinc/25/83/24/1070258324.db2.gz MBKCDNJFWPBQSJ-ZWKOTPCHSA-N 1 1 442.630 0.963 20 0 ICADMO CCc1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001499060364 1070258625 /nfs/dbraw/zinc/25/86/25/1070258625.db2.gz MBPYRKVIELTZJM-BBWFWOEESA-N 1 1 445.572 0.872 20 0 ICADMO CCc1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001499060365 1070258390 /nfs/dbraw/zinc/25/83/90/1070258390.db2.gz 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CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001502292932 1070407558 /nfs/dbraw/zinc/40/75/58/1070407558.db2.gz ZOJFHURXRONRPG-IRXDYDNUSA-N 1 1 433.557 0.340 20 0 ICADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001502292933 1070407727 /nfs/dbraw/zinc/40/77/27/1070407727.db2.gz ZOJFHURXRONRPG-SJORKVTESA-N 1 1 433.557 0.340 20 0 ICADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001502297039 1070407709 /nfs/dbraw/zinc/40/77/09/1070407709.db2.gz SIZQPMVFPMXYGY-MOPGFXCFSA-N 1 1 430.557 0.894 20 0 ICADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001502297040 1070407688 /nfs/dbraw/zinc/40/76/88/1070407688.db2.gz SIZQPMVFPMXYGY-OALUTQOASA-N 1 1 430.557 0.894 20 0 ICADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001502297041 1070407489 /nfs/dbraw/zinc/40/74/89/1070407489.db2.gz SIZQPMVFPMXYGY-RBUKOAKNSA-N 1 1 430.557 0.894 20 0 ICADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001502297042 1070407596 /nfs/dbraw/zinc/40/75/96/1070407596.db2.gz SIZQPMVFPMXYGY-RTBURBONSA-N 1 1 430.557 0.894 20 0 ICADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCNS(C)(=O)=O ZINC001502297157 1070407764 /nfs/dbraw/zinc/40/77/64/1070407764.db2.gz UUILKSSKIVMPJL-CABCVRRESA-N 1 1 427.575 0.089 20 0 ICADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCNS(C)(=O)=O ZINC001502297158 1070407523 /nfs/dbraw/zinc/40/75/23/1070407523.db2.gz UUILKSSKIVMPJL-GJZGRUSLSA-N 1 1 427.575 0.089 20 0 ICADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCNS(C)(=O)=O ZINC001502297159 1070407627 /nfs/dbraw/zinc/40/76/27/1070407627.db2.gz UUILKSSKIVMPJL-HUUCEWRRSA-N 1 1 427.575 0.089 20 0 ICADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCNS(C)(=O)=O ZINC001502297160 1070407539 /nfs/dbraw/zinc/40/75/39/1070407539.db2.gz UUILKSSKIVMPJL-LSDHHAIUSA-N 1 1 427.575 0.089 20 0 ICADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)COC)CC1 ZINC001502297291 1070408368 /nfs/dbraw/zinc/40/83/68/1070408368.db2.gz WJQVLQNGAXZGNA-GOSISDBHSA-N 1 1 430.557 0.848 20 0 ICADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)COC)CC1 ZINC001502297292 1070408471 /nfs/dbraw/zinc/40/84/71/1070408471.db2.gz WJQVLQNGAXZGNA-SFHVURJKSA-N 1 1 430.557 0.848 20 0 ICADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001502297499 1070408384 /nfs/dbraw/zinc/40/83/84/1070408384.db2.gz ZZOIKFXNKDLRIC-BRWVUGGUSA-N 1 1 438.598 0.722 20 0 ICADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001502297500 1070408486 /nfs/dbraw/zinc/40/84/86/1070408486.db2.gz ZZOIKFXNKDLRIC-GVDBMIGSSA-N 1 1 438.598 0.722 20 0 ICADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001502297501 1070408309 /nfs/dbraw/zinc/40/83/09/1070408309.db2.gz ZZOIKFXNKDLRIC-IXDOHACOSA-N 1 1 438.598 0.722 20 0 ICADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001502297502 1070408231 /nfs/dbraw/zinc/40/82/31/1070408231.db2.gz ZZOIKFXNKDLRIC-YESZJQIVSA-N 1 1 438.598 0.722 20 0 ICADMO CC[N@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCS(C)(=O)=O ZINC001502299729 1070408429 /nfs/dbraw/zinc/40/84/29/1070408429.db2.gz RJRNBHWNXOJUMB-INIZCTEOSA-N 1 1 426.587 0.756 20 0 ICADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCS(C)(=O)=O ZINC001502299730 1070408444 /nfs/dbraw/zinc/40/84/44/1070408444.db2.gz RJRNBHWNXOJUMB-MRXNPFEDSA-N 1 1 426.587 0.756 20 0 ICADMO CCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1=O ZINC001502301708 1070408335 /nfs/dbraw/zinc/40/83/35/1070408335.db2.gz NZEBEOWHNSFCBS-CABCVRRESA-N 1 1 441.602 0.430 20 0 ICADMO CCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@@H+](C)C2CC2)CC1=O ZINC001502301709 1070408456 /nfs/dbraw/zinc/40/84/56/1070408456.db2.gz NZEBEOWHNSFCBS-GJZGRUSLSA-N 1 1 441.602 0.430 20 0 ICADMO CCN1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1=O ZINC001502301710 1070409235 /nfs/dbraw/zinc/40/92/35/1070409235.db2.gz NZEBEOWHNSFCBS-HUUCEWRRSA-N 1 1 441.602 0.430 20 0 ICADMO CCN1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@@H+](C)C2CC2)CC1=O ZINC001502301711 1070409321 /nfs/dbraw/zinc/40/93/21/1070409321.db2.gz NZEBEOWHNSFCBS-LSDHHAIUSA-N 1 1 441.602 0.430 20 0 ICADMO CCN1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1=O ZINC001502305922 1070410884 /nfs/dbraw/zinc/41/08/84/1070410884.db2.gz IJWXQGXGJKUQOC-CVEARBPZSA-N 1 1 438.598 0.722 20 0 ICADMO CCN1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1=O ZINC001502305923 1070410671 /nfs/dbraw/zinc/41/06/71/1070410671.db2.gz IJWXQGXGJKUQOC-HOTGVXAUSA-N 1 1 438.598 0.722 20 0 ICADMO CCN1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1=O ZINC001502305924 1070410730 /nfs/dbraw/zinc/41/07/30/1070410730.db2.gz IJWXQGXGJKUQOC-HZPDHXFCSA-N 1 1 438.598 0.722 20 0 ICADMO CCN1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1=O ZINC001502305925 1070410829 /nfs/dbraw/zinc/41/08/29/1070410829.db2.gz IJWXQGXGJKUQOC-JKSUJKDBSA-N 1 1 438.598 0.722 20 0 ICADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C)n3C[C@]3(O)CCO[C@H]3C)CC2)CC1 ZINC001502308983 1070412317 /nfs/dbraw/zinc/41/23/17/1070412317.db2.gz QKYVUMBKABPNGC-HTAPYJJXSA-N 1 1 434.585 0.897 20 0 ICADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C)n3C[C@@]3(O)CCO[C@H]3C)CC2)CC1 ZINC001502308984 1070412257 /nfs/dbraw/zinc/41/22/57/1070412257.db2.gz QKYVUMBKABPNGC-JTSKRJEESA-N 1 1 434.585 0.897 20 0 ICADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C)n3C[C@]3(O)CCO[C@@H]3C)CC2)CC1 ZINC001502308985 1070412433 /nfs/dbraw/zinc/41/24/33/1070412433.db2.gz QKYVUMBKABPNGC-VGOFRKELSA-N 1 1 434.585 0.897 20 0 ICADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C)n3C[C@@]3(O)CCO[C@@H]3C)CC2)CC1 ZINC001502308986 1070412576 /nfs/dbraw/zinc/41/25/76/1070412576.db2.gz QKYVUMBKABPNGC-VGSWGCGISA-N 1 1 434.585 0.897 20 0 ICADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C)n3CCCn3cnnn3)CC2)CC1 ZINC001502309078 1070412527 /nfs/dbraw/zinc/41/25/27/1070412527.db2.gz UOMFNABCZDLVFK-UHFFFAOYSA-N 1 1 430.561 0.434 20 0 ICADMO CCN1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1=O ZINC001502309120 1070412453 /nfs/dbraw/zinc/41/24/53/1070412453.db2.gz VRRYPTMEVLIQCD-DJPFJPOOSA-N 1 1 436.557 0.127 20 0 ICADMO CCN1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CC[N@@H+](C)C2)CC1=O ZINC001502309121 1070412275 /nfs/dbraw/zinc/41/22/75/1070412275.db2.gz VRRYPTMEVLIQCD-MDKPJZGXSA-N 1 1 436.557 0.127 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(C)nnc2N2CCC(C(=O)NCCCOC)CC2)CC1 ZINC001502309355 1070413191 /nfs/dbraw/zinc/41/31/91/1070413191.db2.gz CMAMJJJNDCQBNR-GOSISDBHSA-N 1 1 435.617 0.982 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(C)nnc2N2CCC(C(=O)NCCCOC)CC2)CC1 ZINC001502309356 1070413234 /nfs/dbraw/zinc/41/32/34/1070413234.db2.gz CMAMJJJNDCQBNR-SFHVURJKSA-N 1 1 435.617 0.982 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC=CCC2)CC1 ZINC001502309774 1070413319 /nfs/dbraw/zinc/41/33/19/1070413319.db2.gz MOLMHTSPZAXPKF-DLBZAZTESA-N 1 1 425.603 0.681 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC=CCC2)CC1 ZINC001502309775 1070413215 /nfs/dbraw/zinc/41/32/15/1070413215.db2.gz MOLMHTSPZAXPKF-IAGOWNOFSA-N 1 1 425.603 0.681 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC=CCC2)CC1 ZINC001502309776 1070413157 /nfs/dbraw/zinc/41/31/57/1070413157.db2.gz MOLMHTSPZAXPKF-IRXDYDNUSA-N 1 1 425.603 0.681 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC=CCC2)CC1 ZINC001502309777 1070413261 /nfs/dbraw/zinc/41/32/61/1070413261.db2.gz MOLMHTSPZAXPKF-SJORKVTESA-N 1 1 425.603 0.681 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(C)nnc2N2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC001502309825 1070413168 /nfs/dbraw/zinc/41/31/68/1070413168.db2.gz NOGXYXVWCOMQDG-INIZCTEOSA-N 1 1 427.619 0.378 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(C)nnc2N2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC001502309826 1070413205 /nfs/dbraw/zinc/41/32/05/1070413205.db2.gz NOGXYXVWCOMQDG-MRXNPFEDSA-N 1 1 427.619 0.378 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(C)nnc2N2CCN(C(=O)N3CCOCC3)CC2)CC1 ZINC001502311165 1070414199 /nfs/dbraw/zinc/41/41/99/1070414199.db2.gz NVUFIEWCLULSCY-GOSISDBHSA-N 1 1 434.589 0.187 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(C)nnc2N2CCN(C(=O)N3CCOCC3)CC2)CC1 ZINC001502311166 1070414135 /nfs/dbraw/zinc/41/41/35/1070414135.db2.gz NVUFIEWCLULSCY-SFHVURJKSA-N 1 1 434.589 0.187 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(C)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC001502311503 1070414256 /nfs/dbraw/zinc/41/42/56/1070414256.db2.gz UGJPRVKSDBCQMA-HKUYNNGSSA-N 1 1 441.646 0.720 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(C)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC001502311504 1070414308 /nfs/dbraw/zinc/41/43/08/1070414308.db2.gz UGJPRVKSDBCQMA-IEBWSBKVSA-N 1 1 441.646 0.720 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(C)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC001502311505 1070414066 /nfs/dbraw/zinc/41/40/66/1070414066.db2.gz UGJPRVKSDBCQMA-MJGOQNOKSA-N 1 1 441.646 0.720 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(C)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC001502311506 1070414022 /nfs/dbraw/zinc/41/40/22/1070414022.db2.gz UGJPRVKSDBCQMA-PKOBYXMFSA-N 1 1 441.646 0.720 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001502311857 1070414150 /nfs/dbraw/zinc/41/41/50/1070414150.db2.gz AJDHGONPMRVEML-MSOLQXFVSA-N 1 1 443.600 0.667 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502311858 1070414098 /nfs/dbraw/zinc/41/40/98/1070414098.db2.gz AJDHGONPMRVEML-QZTJIDSGSA-N 1 1 443.600 0.667 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001502311859 1070414291 /nfs/dbraw/zinc/41/42/91/1070414291.db2.gz AJDHGONPMRVEML-ROUUACIJSA-N 1 1 443.600 0.667 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502311860 1070414052 /nfs/dbraw/zinc/41/40/52/1070414052.db2.gz AJDHGONPMRVEML-ZWKOTPCHSA-N 1 1 443.600 0.667 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001502311991 1070414356 /nfs/dbraw/zinc/41/43/56/1070414356.db2.gz CMHQGVPPWMDQEN-FGTMMUONSA-N 1 1 446.600 0.218 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502311992 1070414174 /nfs/dbraw/zinc/41/41/74/1070414174.db2.gz CMHQGVPPWMDQEN-KURKYZTESA-N 1 1 446.600 0.218 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502311993 1070415342 /nfs/dbraw/zinc/41/53/42/1070415342.db2.gz CMHQGVPPWMDQEN-KZNAEPCWSA-N 1 1 446.600 0.218 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001502311994 1070415305 /nfs/dbraw/zinc/41/53/05/1070415305.db2.gz CMHQGVPPWMDQEN-SQNIBIBYSA-N 1 1 446.600 0.218 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001502312007 1070415252 /nfs/dbraw/zinc/41/52/52/1070415252.db2.gz CYLPUXAXMQLDQX-FGTMMUONSA-N 1 1 446.600 0.347 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001502312008 1070415186 /nfs/dbraw/zinc/41/51/86/1070415186.db2.gz CYLPUXAXMQLDQX-KURKYZTESA-N 1 1 446.600 0.347 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001502312009 1070415323 /nfs/dbraw/zinc/41/53/23/1070415323.db2.gz CYLPUXAXMQLDQX-KZNAEPCWSA-N 1 1 446.600 0.347 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001502312010 1070415290 /nfs/dbraw/zinc/41/52/90/1070415290.db2.gz CYLPUXAXMQLDQX-SQNIBIBYSA-N 1 1 446.600 0.347 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001502312099 1070415212 /nfs/dbraw/zinc/41/52/12/1070415212.db2.gz GAPOLUSUMGKPNZ-MSOLQXFVSA-N 1 1 441.584 0.724 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502312100 1070415232 /nfs/dbraw/zinc/41/52/32/1070415232.db2.gz GAPOLUSUMGKPNZ-QZTJIDSGSA-N 1 1 441.584 0.724 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001502312101 1070415087 /nfs/dbraw/zinc/41/50/87/1070415087.db2.gz GAPOLUSUMGKPNZ-ROUUACIJSA-N 1 1 441.584 0.724 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502312102 1070415143 /nfs/dbraw/zinc/41/51/43/1070415143.db2.gz GAPOLUSUMGKPNZ-ZWKOTPCHSA-N 1 1 441.584 0.724 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001502312349 1070415174 /nfs/dbraw/zinc/41/51/74/1070415174.db2.gz KLSKBZQIAOEDDP-HTAPYJJXSA-N 1 1 441.584 0.724 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001502312350 1070415126 /nfs/dbraw/zinc/41/51/26/1070415126.db2.gz KLSKBZQIAOEDDP-JTSKRJEESA-N 1 1 441.584 0.724 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001502312351 1070415357 /nfs/dbraw/zinc/41/53/57/1070415357.db2.gz KLSKBZQIAOEDDP-VGOFRKELSA-N 1 1 441.584 0.724 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001502312352 1070415275 /nfs/dbraw/zinc/41/52/75/1070415275.db2.gz KLSKBZQIAOEDDP-VGSWGCGISA-N 1 1 441.584 0.724 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001502312371 1070415158 /nfs/dbraw/zinc/41/51/58/1070415158.db2.gz KUDHBUQFXDIYNR-MSOLQXFVSA-N 1 1 443.600 0.796 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001502312372 1070415054 /nfs/dbraw/zinc/41/50/54/1070415054.db2.gz KUDHBUQFXDIYNR-QZTJIDSGSA-N 1 1 443.600 0.796 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001502312373 1070416177 /nfs/dbraw/zinc/41/61/77/1070416177.db2.gz KUDHBUQFXDIYNR-ROUUACIJSA-N 1 1 443.600 0.796 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001502312374 1070416095 /nfs/dbraw/zinc/41/60/95/1070416095.db2.gz KUDHBUQFXDIYNR-ZWKOTPCHSA-N 1 1 443.600 0.796 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccn3C)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001502312473 1070416272 /nfs/dbraw/zinc/41/62/72/1070416272.db2.gz MXZDCFPITIQBFW-MSOLQXFVSA-N 1 1 428.585 0.977 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccn3C)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502312474 1070416285 /nfs/dbraw/zinc/41/62/85/1070416285.db2.gz MXZDCFPITIQBFW-QZTJIDSGSA-N 1 1 428.585 0.977 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001502312475 1070416102 /nfs/dbraw/zinc/41/61/02/1070416102.db2.gz MXZDCFPITIQBFW-ROUUACIJSA-N 1 1 428.585 0.977 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502312476 1070416047 /nfs/dbraw/zinc/41/60/47/1070416047.db2.gz MXZDCFPITIQBFW-ZWKOTPCHSA-N 1 1 428.585 0.977 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnccn3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001502312669 1070416331 /nfs/dbraw/zinc/41/63/31/1070416331.db2.gz PZJXIXSEBAFFJX-DLBZAZTESA-N 1 1 429.573 0.579 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnccn3)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001502312670 1070416303 /nfs/dbraw/zinc/41/63/03/1070416303.db2.gz PZJXIXSEBAFFJX-IAGOWNOFSA-N 1 1 429.573 0.579 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001502312671 1070416137 /nfs/dbraw/zinc/41/61/37/1070416137.db2.gz PZJXIXSEBAFFJX-IRXDYDNUSA-N 1 1 429.573 0.579 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001502312672 1070416025 /nfs/dbraw/zinc/41/60/25/1070416025.db2.gz PZJXIXSEBAFFJX-SJORKVTESA-N 1 1 429.573 0.579 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(C3CC3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001502312769 1070416236 /nfs/dbraw/zinc/41/62/36/1070416236.db2.gz SBRYHGSPIYVJJV-GOSISDBHSA-N 1 1 432.617 0.392 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(C3CC3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001502312770 1070416253 /nfs/dbraw/zinc/41/62/53/1070416253.db2.gz SBRYHGSPIYVJJV-SFHVURJKSA-N 1 1 432.617 0.392 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001502312819 1070416085 /nfs/dbraw/zinc/41/60/85/1070416085.db2.gz SUNPZFMFIWQBAH-MSOLQXFVSA-N 1 1 441.584 0.853 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001502312820 1070416209 /nfs/dbraw/zinc/41/62/09/1070416209.db2.gz SUNPZFMFIWQBAH-QZTJIDSGSA-N 1 1 441.584 0.853 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001502312821 1070416063 /nfs/dbraw/zinc/41/60/63/1070416063.db2.gz SUNPZFMFIWQBAH-ROUUACIJSA-N 1 1 441.584 0.853 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001502312822 1070416157 /nfs/dbraw/zinc/41/61/57/1070416157.db2.gz SUNPZFMFIWQBAH-ZWKOTPCHSA-N 1 1 441.584 0.853 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502313011 1070416226 /nfs/dbraw/zinc/41/62/26/1070416226.db2.gz WNQOAYBDFJYATN-HKUYNNGSSA-N 1 1 444.584 0.261 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccn3C)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502313012 1070416314 /nfs/dbraw/zinc/41/63/14/1070416314.db2.gz WNQOAYBDFJYATN-IEBWSBKVSA-N 1 1 444.584 0.261 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccn3C)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502313013 1070417374 /nfs/dbraw/zinc/41/73/74/1070417374.db2.gz WNQOAYBDFJYATN-MJGOQNOKSA-N 1 1 444.584 0.261 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502313014 1070417262 /nfs/dbraw/zinc/41/72/62/1070417262.db2.gz WNQOAYBDFJYATN-PKOBYXMFSA-N 1 1 444.584 0.261 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)CCCC(=O)NC)CC1 ZINC001502313201 1070417037 /nfs/dbraw/zinc/41/70/37/1070417037.db2.gz ZWIFQGODTHUTQZ-KRWDZBQOSA-N 1 1 429.573 0.724 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnccn3)nnc2N(C)CCCC(=O)NC)CC1 ZINC001502313202 1070417082 /nfs/dbraw/zinc/41/70/82/1070417082.db2.gz ZWIFQGODTHUTQZ-QGZVFWFLSA-N 1 1 429.573 0.724 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001502313471 1070417184 /nfs/dbraw/zinc/41/71/84/1070417184.db2.gz FEHGTOFOWXBZQD-FGSXEWAUSA-N 1 1 433.601 0.770 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001502313472 1070417335 /nfs/dbraw/zinc/41/73/35/1070417335.db2.gz FEHGTOFOWXBZQD-HMFYCAOWSA-N 1 1 433.601 0.770 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001502313473 1070417106 /nfs/dbraw/zinc/41/71/06/1070417106.db2.gz FEHGTOFOWXBZQD-JBYIUTFZSA-N 1 1 433.601 0.770 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001502313474 1070417058 /nfs/dbraw/zinc/41/70/58/1070417058.db2.gz FEHGTOFOWXBZQD-KGVIQGDOSA-N 1 1 433.601 0.770 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502313495 1070417198 /nfs/dbraw/zinc/41/71/98/1070417198.db2.gz FRNKNTMMSFWBTK-CEXWTWQISA-N 1 1 433.601 0.900 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502313496 1070417317 /nfs/dbraw/zinc/41/73/17/1070417317.db2.gz FRNKNTMMSFWBTK-FHWLQOOXSA-N 1 1 433.601 0.900 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502313497 1070417137 /nfs/dbraw/zinc/41/71/37/1070417137.db2.gz FRNKNTMMSFWBTK-GBESFXJTSA-N 1 1 433.601 0.900 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502313498 1070417229 /nfs/dbraw/zinc/41/72/29/1070417229.db2.gz FRNKNTMMSFWBTK-QYZOEREBSA-N 1 1 433.601 0.900 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCNC(=O)C2)CC1 ZINC001502313581 1070417167 /nfs/dbraw/zinc/41/71/67/1070417167.db2.gz HDJSWGLBTUAEJN-GOSISDBHSA-N 1 1 441.580 0.840 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCNC(=O)C2)CC1 ZINC001502313582 1070417284 /nfs/dbraw/zinc/41/72/84/1070417284.db2.gz HDJSWGLBTUAEJN-SFHVURJKSA-N 1 1 441.580 0.840 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001502313921 1070418132 /nfs/dbraw/zinc/41/81/32/1070418132.db2.gz MRCUCBTVIZJJII-HOJAQTOUSA-N 1 1 433.601 0.913 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001502313922 1070418078 /nfs/dbraw/zinc/41/80/78/1070418078.db2.gz MRCUCBTVIZJJII-MISYRCLQSA-N 1 1 433.601 0.913 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001502313923 1070417964 /nfs/dbraw/zinc/41/79/64/1070417964.db2.gz MRCUCBTVIZJJII-RLLQIKCJSA-N 1 1 433.601 0.913 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001502313924 1070417920 /nfs/dbraw/zinc/41/79/20/1070417920.db2.gz MRCUCBTVIZJJII-YZGWKJHDSA-N 1 1 433.601 0.913 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502314085 1070417897 /nfs/dbraw/zinc/41/78/97/1070417897.db2.gz PGQHKWXBDPLFIL-MSOLQXFVSA-N 1 1 434.589 0.269 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502314086 1070418043 /nfs/dbraw/zinc/41/80/43/1070418043.db2.gz PGQHKWXBDPLFIL-QZTJIDSGSA-N 1 1 434.589 0.269 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502314087 1070418170 /nfs/dbraw/zinc/41/81/70/1070418170.db2.gz PGQHKWXBDPLFIL-ROUUACIJSA-N 1 1 434.589 0.269 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502314088 1070418005 /nfs/dbraw/zinc/41/80/05/1070418005.db2.gz PGQHKWXBDPLFIL-ZWKOTPCHSA-N 1 1 434.589 0.269 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502314115 1070418063 /nfs/dbraw/zinc/41/80/63/1070418063.db2.gz PYVDTFYNKQXHDD-AZUAARDMSA-N 1 1 433.601 0.867 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502314116 1070417989 /nfs/dbraw/zinc/41/79/89/1070417989.db2.gz PYVDTFYNKQXHDD-ICSRJNTNSA-N 1 1 433.601 0.867 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502314117 1070418092 /nfs/dbraw/zinc/41/80/92/1070418092.db2.gz PYVDTFYNKQXHDD-QUCCMNQESA-N 1 1 433.601 0.867 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502314118 1070418021 /nfs/dbraw/zinc/41/80/21/1070418021.db2.gz PYVDTFYNKQXHDD-UYAOXDASSA-N 1 1 433.601 0.867 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502314177 1070418155 /nfs/dbraw/zinc/41/81/55/1070418155.db2.gz QRHLXUDUPOUIFC-HKUYNNGSSA-N 1 1 433.601 0.913 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502314178 1070417942 /nfs/dbraw/zinc/41/79/42/1070417942.db2.gz QRHLXUDUPOUIFC-IEBWSBKVSA-N 1 1 433.601 0.913 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502314179 1070418107 /nfs/dbraw/zinc/41/81/07/1070418107.db2.gz QRHLXUDUPOUIFC-MJGOQNOKSA-N 1 1 433.601 0.913 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502314180 1070418192 /nfs/dbraw/zinc/41/81/92/1070418192.db2.gz QRHLXUDUPOUIFC-PKOBYXMFSA-N 1 1 433.601 0.913 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001502314809 1070418180 /nfs/dbraw/zinc/41/81/80/1070418180.db2.gz BLLVRWQXMCSXAW-MOPGFXCFSA-N 1 1 440.596 0.957 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001502314810 1070418145 /nfs/dbraw/zinc/41/81/45/1070418145.db2.gz BLLVRWQXMCSXAW-OALUTQOASA-N 1 1 440.596 0.957 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001502314811 1070418928 /nfs/dbraw/zinc/41/89/28/1070418928.db2.gz BLLVRWQXMCSXAW-RBUKOAKNSA-N 1 1 440.596 0.957 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001502314812 1070418992 /nfs/dbraw/zinc/41/89/92/1070418992.db2.gz BLLVRWQXMCSXAW-RTBURBONSA-N 1 1 440.596 0.957 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502314855 1070419051 /nfs/dbraw/zinc/41/90/51/1070419051.db2.gz CGKIELMPXMYLLD-AZUAARDMSA-N 1 1 447.628 0.988 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502314856 1070419215 /nfs/dbraw/zinc/41/92/15/1070419215.db2.gz CGKIELMPXMYLLD-ICSRJNTNSA-N 1 1 447.628 0.988 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(CC3CCCC3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502314857 1070418961 /nfs/dbraw/zinc/41/89/61/1070418961.db2.gz CGKIELMPXMYLLD-QUCCMNQESA-N 1 1 447.628 0.988 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(CC3CCCC3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502314858 1070419026 /nfs/dbraw/zinc/41/90/26/1070419026.db2.gz CGKIELMPXMYLLD-UYAOXDASSA-N 1 1 447.628 0.988 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001502314939 1070419019 /nfs/dbraw/zinc/41/90/19/1070419019.db2.gz DNUHVCJFPBIMDC-MSOLQXFVSA-N 1 1 428.585 0.990 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001502314940 1070418943 /nfs/dbraw/zinc/41/89/43/1070418943.db2.gz DNUHVCJFPBIMDC-QZTJIDSGSA-N 1 1 428.585 0.990 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001502314941 1070419042 /nfs/dbraw/zinc/41/90/42/1070419042.db2.gz DNUHVCJFPBIMDC-ROUUACIJSA-N 1 1 428.585 0.990 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001502314942 1070419158 /nfs/dbraw/zinc/41/91/58/1070419158.db2.gz DNUHVCJFPBIMDC-ZWKOTPCHSA-N 1 1 428.585 0.990 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC3CC3)nnc2N2CCC(OCC(N)=O)CC2)CC1 ZINC001502314993 1070419077 /nfs/dbraw/zinc/41/90/77/1070419077.db2.gz FDVWCJMOVPYHMY-KRWDZBQOSA-N 1 1 433.601 0.727 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(CC3CC3)nnc2N2CCC(OCC(N)=O)CC2)CC1 ZINC001502314994 1070419181 /nfs/dbraw/zinc/41/91/81/1070419181.db2.gz FDVWCJMOVPYHMY-QGZVFWFLSA-N 1 1 433.601 0.727 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC3CC3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502315181 1070418904 /nfs/dbraw/zinc/41/89/04/1070418904.db2.gz ILKXRXSOWIKDHT-FXAWDEMLSA-N 1 1 433.601 0.598 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC3CC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502315182 1070418978 /nfs/dbraw/zinc/41/89/78/1070418978.db2.gz ILKXRXSOWIKDHT-PXNSSMCTSA-N 1 1 433.601 0.598 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(CC3CC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502315183 1070419247 /nfs/dbraw/zinc/41/92/47/1070419247.db2.gz ILKXRXSOWIKDHT-XLIONFOSSA-N 1 1 433.601 0.598 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(CC3CC3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502315184 1070419060 /nfs/dbraw/zinc/41/90/60/1070419060.db2.gz ILKXRXSOWIKDHT-YLJYHZDGSA-N 1 1 433.601 0.598 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502315297 1070419032 /nfs/dbraw/zinc/41/90/32/1070419032.db2.gz KUQYXVBKVMLVCM-MSOLQXFVSA-N 1 1 446.600 0.128 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001502315298 1070419007 /nfs/dbraw/zinc/41/90/07/1070419007.db2.gz KUQYXVBKVMLVCM-QZTJIDSGSA-N 1 1 446.600 0.128 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502315299 1070419125 /nfs/dbraw/zinc/41/91/25/1070419125.db2.gz KUQYXVBKVMLVCM-ROUUACIJSA-N 1 1 446.600 0.128 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001502315300 1070419100 /nfs/dbraw/zinc/41/91/00/1070419100.db2.gz KUQYXVBKVMLVCM-ZWKOTPCHSA-N 1 1 446.600 0.128 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502315403 1070420267 /nfs/dbraw/zinc/42/02/67/1070420267.db2.gz NGTGPXZFFSXNKB-ICSRJNTNSA-N 1 1 440.596 0.992 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502315404 1070420292 /nfs/dbraw/zinc/42/02/92/1070420292.db2.gz NGTGPXZFFSXNKB-QUCCMNQESA-N 1 1 440.596 0.992 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001502315873 1070420127 /nfs/dbraw/zinc/42/01/27/1070420127.db2.gz VXXGGMCBAVZNOC-MOPGFXCFSA-N 1 1 440.596 0.957 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502315874 1070420106 /nfs/dbraw/zinc/42/01/06/1070420106.db2.gz VXXGGMCBAVZNOC-OALUTQOASA-N 1 1 440.596 0.957 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502315875 1070420312 /nfs/dbraw/zinc/42/03/12/1070420312.db2.gz VXXGGMCBAVZNOC-RBUKOAKNSA-N 1 1 440.596 0.957 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001502315876 1070420225 /nfs/dbraw/zinc/42/02/25/1070420225.db2.gz VXXGGMCBAVZNOC-RTBURBONSA-N 1 1 440.596 0.957 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502315979 1070420096 /nfs/dbraw/zinc/42/00/96/1070420096.db2.gz XJXDAKSIFIKWNV-IBGZPJMESA-N 1 1 440.596 0.958 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502315980 1070420046 /nfs/dbraw/zinc/42/00/46/1070420046.db2.gz XJXDAKSIFIKWNV-LJQANCHMSA-N 1 1 440.596 0.958 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001502316089 1070420017 /nfs/dbraw/zinc/42/00/17/1070420017.db2.gz ZFDFORJGBBZRMH-HKUYNNGSSA-N 1 1 426.569 0.602 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3cccnc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001502316090 1070419993 /nfs/dbraw/zinc/41/99/93/1070419993.db2.gz ZFDFORJGBBZRMH-IEBWSBKVSA-N 1 1 426.569 0.602 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3cccnc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001502316091 1070420246 /nfs/dbraw/zinc/42/02/46/1070420246.db2.gz ZFDFORJGBBZRMH-MJGOQNOKSA-N 1 1 426.569 0.602 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001502316092 1070420331 /nfs/dbraw/zinc/42/03/31/1070420331.db2.gz ZFDFORJGBBZRMH-PKOBYXMFSA-N 1 1 426.569 0.602 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(N3CCN(C(=O)COC)CC3)nnc2C(C)(C)C)CC1 ZINC001502317009 1070420007 /nfs/dbraw/zinc/42/00/07/1070420007.db2.gz XEYLEDIBHQTUQI-GOSISDBHSA-N 1 1 435.617 0.897 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(N3CCN(C(=O)COC)CC3)nnc2C(C)(C)C)CC1 ZINC001502317010 1070421271 /nfs/dbraw/zinc/42/12/71/1070421271.db2.gz XEYLEDIBHQTUQI-SFHVURJKSA-N 1 1 435.617 0.897 20 0 ICADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCOCC2)C[C@@H]1C ZINC001502317600 1070420912 /nfs/dbraw/zinc/42/09/12/1070420912.db2.gz JZBGRUZLRPUACZ-INIZCTEOSA-N 1 1 429.525 0.997 20 0 ICADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCOCC2)C[C@H]1C ZINC001502317601 1070421221 /nfs/dbraw/zinc/42/12/21/1070421221.db2.gz JZBGRUZLRPUACZ-MRXNPFEDSA-N 1 1 429.525 0.997 20 0 ICADMO CC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001502317955 1070421200 /nfs/dbraw/zinc/42/12/00/1070421200.db2.gz RKNHWYANUROZJM-CYBMUJFWSA-N 1 1 431.463 0.723 20 0 ICADMO CC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCC(F)(F)F)C[C@@H]1C ZINC001502317956 1070421366 /nfs/dbraw/zinc/42/13/66/1070421366.db2.gz RKNHWYANUROZJM-ZDUSSCGKSA-N 1 1 431.463 0.723 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nnc(C)s2)C[C@H]1C ZINC001502318787 1070421241 /nfs/dbraw/zinc/42/12/41/1070421241.db2.gz GHCXQWRXJNYWCN-NEPJUHHUSA-N 1 1 428.588 0.627 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nnc(C)s2)C[C@@H]1C ZINC001502318788 1070421119 /nfs/dbraw/zinc/42/11/19/1070421119.db2.gz GHCXQWRXJNYWCN-NWDGAFQWSA-N 1 1 428.588 0.627 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nnc(C)s2)C[C@@H]1C ZINC001502318789 1070421260 /nfs/dbraw/zinc/42/12/60/1070421260.db2.gz GHCXQWRXJNYWCN-RYUDHWBXSA-N 1 1 428.588 0.627 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nnc(C)s2)C[C@H]1C ZINC001502318790 1070421320 /nfs/dbraw/zinc/42/13/20/1070421320.db2.gz GHCXQWRXJNYWCN-VXGBXAGGSA-N 1 1 428.588 0.627 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCSCC2)C[C@H]1C ZINC001502319681 1070420955 /nfs/dbraw/zinc/42/09/55/1070420955.db2.gz TUIJCEAVDOYRLO-CVEARBPZSA-N 1 1 445.659 0.468 20 0 ICADMO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCSCC2)C[C@H]1C ZINC001502319681 1070420948 /nfs/dbraw/zinc/42/09/48/1070420948.db2.gz TUIJCEAVDOYRLO-CVEARBPZSA-N 1 1 445.659 0.468 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCSCC2)C[C@@H]1C ZINC001502319682 1070421002 /nfs/dbraw/zinc/42/10/02/1070421002.db2.gz TUIJCEAVDOYRLO-HOTGVXAUSA-N 1 1 445.659 0.468 20 0 ICADMO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCSCC2)C[C@@H]1C ZINC001502319682 1070420996 /nfs/dbraw/zinc/42/09/96/1070420996.db2.gz TUIJCEAVDOYRLO-HOTGVXAUSA-N 1 1 445.659 0.468 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCSCC2)C[C@H]1C ZINC001502319683 1070421387 /nfs/dbraw/zinc/42/13/87/1070421387.db2.gz TUIJCEAVDOYRLO-HZPDHXFCSA-N 1 1 445.659 0.468 20 0 ICADMO CC[N@@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCSCC2)C[C@H]1C ZINC001502319683 1070421384 /nfs/dbraw/zinc/42/13/84/1070421384.db2.gz TUIJCEAVDOYRLO-HZPDHXFCSA-N 1 1 445.659 0.468 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCSCC2)C[C@@H]1C ZINC001502319684 1070421352 /nfs/dbraw/zinc/42/13/52/1070421352.db2.gz TUIJCEAVDOYRLO-JKSUJKDBSA-N 1 1 445.659 0.468 20 0 ICADMO CC[N@@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCSCC2)C[C@@H]1C ZINC001502319684 1070421347 /nfs/dbraw/zinc/42/13/47/1070421347.db2.gz TUIJCEAVDOYRLO-JKSUJKDBSA-N 1 1 445.659 0.468 20 0 ICADMO CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCCC2)C[C@@H]1C ZINC001502319721 1070421183 /nfs/dbraw/zinc/42/11/83/1070421183.db2.gz UFKRMISSHITHEE-DLBZAZTESA-N 1 1 427.619 0.905 20 0 ICADMO CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCCC2)C[C@H]1C ZINC001502319722 1070421307 /nfs/dbraw/zinc/42/13/07/1070421307.db2.gz UFKRMISSHITHEE-IAGOWNOFSA-N 1 1 427.619 0.905 20 0 ICADMO CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCCC2)C[C@@H]1C ZINC001502319723 1070421071 /nfs/dbraw/zinc/42/10/71/1070421071.db2.gz UFKRMISSHITHEE-IRXDYDNUSA-N 1 1 427.619 0.905 20 0 ICADMO CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCCC2)C[C@H]1C ZINC001502319724 1070421036 /nfs/dbraw/zinc/42/10/36/1070421036.db2.gz UFKRMISSHITHEE-SJORKVTESA-N 1 1 427.619 0.905 20 0 ICADMO CC[N@H+]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(=O)N(C)C)C[C@@H]1C ZINC001502324925 1070421088 /nfs/dbraw/zinc/42/10/88/1070421088.db2.gz YCJWPGQJWBZULO-HNNXBMFYSA-N 1 1 448.597 0.857 20 0 ICADMO CC[N@H+]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(=O)N(C)C)C[C@H]1C ZINC001502324926 1070422235 /nfs/dbraw/zinc/42/22/35/1070422235.db2.gz YCJWPGQJWBZULO-OAHLLOKOSA-N 1 1 448.597 0.857 20 0 ICADMO 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CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)C)n3CCC(=O)N3CCOCC3)C2)CC1 ZINC001502335740 1070427001 /nfs/dbraw/zinc/42/70/01/1070427001.db2.gz PFERWAJOLWNSKZ-HXUWFJFHSA-N 1 1 447.628 0.942 20 0 ICADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4csc(C)n4)n3CC(=O)N(C)C)C2)CC1 ZINC001502335789 1070426653 /nfs/dbraw/zinc/42/66/53/1070426653.db2.gz QUISJJQFYGBQDL-GOSISDBHSA-N 1 1 446.625 0.938 20 0 ICADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(Cc4csc(C)n4)n3CC(=O)N(C)C)C2)CC1 ZINC001502335790 1070426620 /nfs/dbraw/zinc/42/66/20/1070426620.db2.gz QUISJJQFYGBQDL-SFHVURJKSA-N 1 1 446.625 0.938 20 0 ICADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)C)n3CCNS(=O)(=O)CC)C2)CC1 ZINC001502336307 1070426954 /nfs/dbraw/zinc/42/69/54/1070426954.db2.gz XRDOVPITXSLCHR-GOSISDBHSA-N 1 1 441.646 0.632 20 0 ICADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)C)n3CCNS(=O)(=O)CC)C2)CC1 ZINC001502336308 1070426792 /nfs/dbraw/zinc/42/67/92/1070426792.db2.gz XRDOVPITXSLCHR-SFHVURJKSA-N 1 1 441.646 0.632 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502337277 1070426974 /nfs/dbraw/zinc/42/69/74/1070426974.db2.gz FNJVJJMVPCHKQH-MSOLQXFVSA-N 1 1 448.616 0.392 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502337278 1070426846 /nfs/dbraw/zinc/42/68/46/1070426846.db2.gz FNJVJJMVPCHKQH-ROUUACIJSA-N 1 1 448.616 0.392 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001502337358 1070427034 /nfs/dbraw/zinc/42/70/34/1070427034.db2.gz HCVVDQLIRMKVLY-MSOLQXFVSA-N 1 1 446.600 0.099 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001502337359 1070426895 /nfs/dbraw/zinc/42/68/95/1070426895.db2.gz HCVVDQLIRMKVLY-QZTJIDSGSA-N 1 1 446.600 0.099 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001502337360 1070427051 /nfs/dbraw/zinc/42/70/51/1070427051.db2.gz HCVVDQLIRMKVLY-ROUUACIJSA-N 1 1 446.600 0.099 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001502337361 1070426919 /nfs/dbraw/zinc/42/69/19/1070426919.db2.gz HCVVDQLIRMKVLY-ZWKOTPCHSA-N 1 1 446.600 0.099 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C)nnc2N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC001502337830 1070427716 /nfs/dbraw/zinc/42/77/16/1070427716.db2.gz OWCMOOBMOJWXGK-FQEVSTJZSA-N 1 1 446.644 0.605 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC001502337831 1070427832 /nfs/dbraw/zinc/42/78/32/1070427832.db2.gz OWCMOOBMOJWXGK-HXUWFJFHSA-N 1 1 446.644 0.605 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C)nnc2N2CCN(c3cnn(C)c3)C(=O)C2)CC1 ZINC001502337851 1070427812 /nfs/dbraw/zinc/42/78/12/1070427812.db2.gz PBGLBQCVGNSKGZ-KRWDZBQOSA-N 1 1 429.573 0.447 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCN(c3cnn(C)c3)C(=O)C2)CC1 ZINC001502337852 1070427847 /nfs/dbraw/zinc/42/78/47/1070427847.db2.gz PBGLBQCVGNSKGZ-QGZVFWFLSA-N 1 1 429.573 0.447 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001502338519 1070427732 /nfs/dbraw/zinc/42/77/32/1070427732.db2.gz WZEFRLPRNCRYJR-KRWDZBQOSA-N 1 1 441.646 0.720 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001502338520 1070427687 /nfs/dbraw/zinc/42/76/87/1070427687.db2.gz WZEFRLPRNCRYJR-QGZVFWFLSA-N 1 1 441.646 0.720 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001502338539 1070427652 /nfs/dbraw/zinc/42/76/52/1070427652.db2.gz XAJHDBBORWOHTG-HKUYNNGSSA-N 1 1 441.646 0.626 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001502338542 1070427802 /nfs/dbraw/zinc/42/78/02/1070427802.db2.gz XAJHDBBORWOHTG-IEBWSBKVSA-N 1 1 441.646 0.626 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001502338543 1070427569 /nfs/dbraw/zinc/42/75/69/1070427569.db2.gz XAJHDBBORWOHTG-MJGOQNOKSA-N 1 1 441.646 0.626 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001502338544 1070427619 /nfs/dbraw/zinc/42/76/19/1070427619.db2.gz XAJHDBBORWOHTG-PKOBYXMFSA-N 1 1 441.646 0.626 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001502339594 1070427823 /nfs/dbraw/zinc/42/78/23/1070427823.db2.gz ALBFXUYVUREAIX-RLLQIKCJSA-N 1 1 446.600 0.802 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001502339596 1070427708 /nfs/dbraw/zinc/42/77/08/1070427708.db2.gz ALBFXUYVUREAIX-YSIASYRMSA-N 1 1 446.600 0.802 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502339780 1070427861 /nfs/dbraw/zinc/42/78/61/1070427861.db2.gz BZAKLGAZJFBEHH-HKUYNNGSSA-N 1 1 444.584 0.498 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502339782 1070427601 /nfs/dbraw/zinc/42/76/01/1070427601.db2.gz BZAKLGAZJFBEHH-IEBWSBKVSA-N 1 1 444.584 0.498 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502339784 1070427777 /nfs/dbraw/zinc/42/77/77/1070427777.db2.gz BZAKLGAZJFBEHH-MJGOQNOKSA-N 1 1 444.584 0.498 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502339785 1070427641 /nfs/dbraw/zinc/42/76/41/1070427641.db2.gz BZAKLGAZJFBEHH-PKOBYXMFSA-N 1 1 444.584 0.498 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001502340903 1070427795 /nfs/dbraw/zinc/42/77/95/1070427795.db2.gz KQLMTPCTTSPMQO-MSOLQXFVSA-N 1 1 443.600 0.619 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001502340904 1070427788 /nfs/dbraw/zinc/42/77/88/1070427788.db2.gz KQLMTPCTTSPMQO-QZTJIDSGSA-N 1 1 443.600 0.619 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001502340905 1070427673 /nfs/dbraw/zinc/42/76/73/1070427673.db2.gz KQLMTPCTTSPMQO-ROUUACIJSA-N 1 1 443.600 0.619 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001502340906 1070428758 /nfs/dbraw/zinc/42/87/58/1070428758.db2.gz KQLMTPCTTSPMQO-ZWKOTPCHSA-N 1 1 443.600 0.619 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001502341251 1070428607 /nfs/dbraw/zinc/42/86/07/1070428607.db2.gz RLZUFHPEFDSQRB-DLBZAZTESA-N 1 1 429.573 0.264 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001502341252 1070428669 /nfs/dbraw/zinc/42/86/69/1070428669.db2.gz RLZUFHPEFDSQRB-IAGOWNOFSA-N 1 1 429.573 0.264 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001502341253 1070428882 /nfs/dbraw/zinc/42/88/82/1070428882.db2.gz RLZUFHPEFDSQRB-IRXDYDNUSA-N 1 1 429.573 0.264 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001502341254 1070428895 /nfs/dbraw/zinc/42/88/95/1070428895.db2.gz RLZUFHPEFDSQRB-SJORKVTESA-N 1 1 429.573 0.264 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001502342709 1070428742 /nfs/dbraw/zinc/42/87/42/1070428742.db2.gz CMAJCFWADHTZJB-MANSERQUSA-N 1 1 433.601 0.710 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001502342710 1070428814 /nfs/dbraw/zinc/42/88/14/1070428814.db2.gz CMAJCFWADHTZJB-MKXGPGLRSA-N 1 1 433.601 0.710 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001502342711 1070428570 /nfs/dbraw/zinc/42/85/70/1070428570.db2.gz CMAJCFWADHTZJB-RDGPPVDQSA-N 1 1 433.601 0.710 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001502342712 1070428641 /nfs/dbraw/zinc/42/86/41/1070428641.db2.gz CMAJCFWADHTZJB-YRXWBPOGSA-N 1 1 433.601 0.710 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](COC)C2)CC1 ZINC001502343395 1070428722 /nfs/dbraw/zinc/42/87/22/1070428722.db2.gz OIROTCZSSIBTPZ-FHWLQOOXSA-N 1 1 449.600 0.354 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](COC)C2)CC1 ZINC001502343396 1070428840 /nfs/dbraw/zinc/42/88/40/1070428840.db2.gz OIROTCZSSIBTPZ-GBESFXJTSA-N 1 1 449.600 0.354 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](COC)C2)CC1 ZINC001502343397 1070428681 /nfs/dbraw/zinc/42/86/81/1070428681.db2.gz OIROTCZSSIBTPZ-IPMKNSEASA-N 1 1 449.600 0.354 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](COC)C2)CC1 ZINC001502343398 1070428776 /nfs/dbraw/zinc/42/87/76/1070428776.db2.gz OIROTCZSSIBTPZ-OTWHNJEPSA-N 1 1 449.600 0.354 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001502343541 1070428905 /nfs/dbraw/zinc/42/89/05/1070428905.db2.gz PXWYETUYFUUJBE-FHWLQOOXSA-N 1 1 435.617 0.874 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001502343542 1070428796 /nfs/dbraw/zinc/42/87/96/1070428796.db2.gz PXWYETUYFUUJBE-GBESFXJTSA-N 1 1 435.617 0.874 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001502343543 1070428588 /nfs/dbraw/zinc/42/85/88/1070428588.db2.gz PXWYETUYFUUJBE-IPMKNSEASA-N 1 1 435.617 0.874 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001502343544 1070428621 /nfs/dbraw/zinc/42/86/21/1070428621.db2.gz PXWYETUYFUUJBE-OTWHNJEPSA-N 1 1 435.617 0.874 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001502343645 1070428858 /nfs/dbraw/zinc/42/88/58/1070428858.db2.gz RUFNWVOOBQTKIM-FHWLQOOXSA-N 1 1 433.601 0.723 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001502343646 1070429654 /nfs/dbraw/zinc/42/96/54/1070429654.db2.gz RUFNWVOOBQTKIM-GBESFXJTSA-N 1 1 433.601 0.723 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001502343647 1070429866 /nfs/dbraw/zinc/42/98/66/1070429866.db2.gz RUFNWVOOBQTKIM-IPMKNSEASA-N 1 1 433.601 0.723 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001502343648 1070429631 /nfs/dbraw/zinc/42/96/31/1070429631.db2.gz RUFNWVOOBQTKIM-OTWHNJEPSA-N 1 1 433.601 0.723 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC(CO)CC2)CC1 ZINC001502346166 1070429575 /nfs/dbraw/zinc/42/95/75/1070429575.db2.gz JIRSSDRYIOESSW-IBGZPJMESA-N 1 1 447.628 0.883 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC(CO)CC2)CC1 ZINC001502346167 1070429715 /nfs/dbraw/zinc/42/97/15/1070429715.db2.gz JIRSSDRYIOESSW-LJQANCHMSA-N 1 1 447.628 0.883 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC3CC3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502346280 1070429739 /nfs/dbraw/zinc/42/97/39/1070429739.db2.gz KMHRSRWIHUVSJE-GOSISDBHSA-N 1 1 432.617 0.966 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC3CC3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502346281 1070429612 /nfs/dbraw/zinc/42/96/12/1070429612.db2.gz KMHRSRWIHUVSJE-SFHVURJKSA-N 1 1 432.617 0.966 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N(C)CCNS(C)(=O)=O)nnc2C(C)(C)C)CC1 ZINC001502347080 1070429852 /nfs/dbraw/zinc/42/98/52/1070429852.db2.gz UCOMVVGDJDGIPN-KRWDZBQOSA-N 1 1 443.662 0.835 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(N(C)CCNS(C)(=O)=O)nnc2C(C)(C)C)CC1 ZINC001502347081 1070429674 /nfs/dbraw/zinc/42/96/74/1070429674.db2.gz UCOMVVGDJDGIPN-QGZVFWFLSA-N 1 1 443.662 0.835 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCNC(=O)C2)CC1 ZINC001502347420 1070429773 /nfs/dbraw/zinc/42/97/73/1070429773.db2.gz ZRYLERFWGXFEEC-GOSISDBHSA-N 1 1 426.569 0.474 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCNC(=O)C2)CC1 ZINC001502347421 1070429533 /nfs/dbraw/zinc/42/95/33/1070429533.db2.gz ZRYLERFWGXFEEC-SFHVURJKSA-N 1 1 426.569 0.474 20 0 ICADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502348713 1070429839 /nfs/dbraw/zinc/42/98/39/1070429839.db2.gz ADCDYCIYZLMYJA-SFHVURJKSA-N 1 1 448.616 0.536 20 0 ICADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCNC(=O)CC2)CC1 ZINC001502348891 1070429826 /nfs/dbraw/zinc/42/98/26/1070429826.db2.gz GFOLFFDSEQNBOZ-UHFFFAOYSA-N 1 1 434.589 0.160 20 0 ICADMO CC[NH+]1CCN(CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCOCC2)CC1 ZINC001502349111 1070429760 /nfs/dbraw/zinc/42/97/60/1070429760.db2.gz NGQDWXYVVYHWTK-KRWDZBQOSA-N 1 1 443.618 0.143 20 0 ICADMO CC[NH+]1CCN(CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOCC2)CC1 ZINC001502349112 1070429814 /nfs/dbraw/zinc/42/98/14/1070429814.db2.gz NGQDWXYVVYHWTK-QGZVFWFLSA-N 1 1 443.618 0.143 20 0 ICADMO CC[NH+]1CCN(CCCCn2c(C)nnc2N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC001502349221 1070429601 /nfs/dbraw/zinc/42/96/01/1070429601.db2.gz QFVYIGPJRAVMDA-UHFFFAOYSA-N 1 1 434.633 0.651 20 0 ICADMO CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001502349345 1070430683 /nfs/dbraw/zinc/43/06/83/1070430683.db2.gz UQSOYSQWVVYJJU-UHFFFAOYSA-N 1 1 441.646 0.901 20 0 ICADMO CC[NH+]1CCN(CCCCn2c(-c3cnccn3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001502350716 1070430826 /nfs/dbraw/zinc/43/08/26/1070430826.db2.gz AKPQACODVNLKAD-UHFFFAOYSA-N 1 1 441.584 0.855 20 0 ICADMO CC[NH+]1CCN(CCCCn2c(-c3cnn(C)c3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502350730 1070430797 /nfs/dbraw/zinc/43/07/97/1070430797.db2.gz AUNHJEIILMMTTO-UHFFFAOYSA-N 1 1 443.600 0.765 20 0 ICADMO CC[NH+]1CCN(CCCCn2c(-c3cnccn3)nnc2N2CCS(=O)CC2)CC1 ZINC001502350992 1070430671 /nfs/dbraw/zinc/43/06/71/1070430671.db2.gz IOKBCEWOWYEOKR-UHFFFAOYSA-N 1 1 432.598 0.722 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001502352610 1070430655 /nfs/dbraw/zinc/43/06/55/1070430655.db2.gz ISDKVASLUHWBPT-GOSISDBHSA-N 1 1 446.600 0.243 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502352611 1070430814 /nfs/dbraw/zinc/43/08/14/1070430814.db2.gz ISDKVASLUHWBPT-SFHVURJKSA-N 1 1 446.600 0.243 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(C)C)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC001502352644 1070430836 /nfs/dbraw/zinc/43/08/36/1070430836.db2.gz JUSBUFCJURZILX-UHFFFAOYSA-N 1 1 441.646 0.947 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001502352670 1070430725 /nfs/dbraw/zinc/43/07/25/1070430725.db2.gz KVPQPHZPJMBBNO-NRFANRHFSA-N 1 1 434.589 0.146 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001502352671 1070430846 /nfs/dbraw/zinc/43/08/46/1070430846.db2.gz KVPQPHZPJMBBNO-OAQYLSRUSA-N 1 1 434.589 0.146 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(C)C)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001502352806 1070430634 /nfs/dbraw/zinc/43/06/34/1070430634.db2.gz OYQNUXPQQGANPI-UHFFFAOYSA-N 1 1 427.619 0.511 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCCN(CC)C(=O)C2)CC1 ZINC001502352959 1070430786 /nfs/dbraw/zinc/43/07/86/1070430786.db2.gz TWJWNZJKLITAGA-UHFFFAOYSA-N 1 1 448.616 0.503 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3ccc(OC)cc3)nnc2N2CCNC(=O)C2)CC1 ZINC001502354171 1070430615 /nfs/dbraw/zinc/43/06/15/1070430615.db2.gz BMKOIFUKXRMTRS-UHFFFAOYSA-N 1 1 427.553 0.918 20 0 ICADMO CCN1CC[NH+](CCCn2c(C)nnc2N2CCN([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC001502354445 1070430741 /nfs/dbraw/zinc/43/07/41/1070430741.db2.gz JBYAPOGTTXHZCH-GOSISDBHSA-N 1 1 432.617 0.403 20 0 ICADMO CCN1CC[NH+](CCCn2c(C)nnc2N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC001502354449 1070430831 /nfs/dbraw/zinc/43/08/31/1070430831.db2.gz JBYAPOGTTXHZCH-SFHVURJKSA-N 1 1 432.617 0.403 20 0 ICADMO CCN1CC[NH+](CCCn2c(C)nnc2N2CCC([C@]3(C)NC(=O)NC3=O)CC2)CC1 ZINC001502355312 1070430706 /nfs/dbraw/zinc/43/07/06/1070430706.db2.gz VWNVGAAPNIUELQ-NRFANRHFSA-N 1 1 432.573 0.429 20 0 ICADMO CCN1CC[NH+](CCCn2c(C)nnc2N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)CC1 ZINC001502355317 1070430804 /nfs/dbraw/zinc/43/08/04/1070430804.db2.gz VWNVGAAPNIUELQ-OAQYLSRUSA-N 1 1 432.573 0.429 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3cnccn3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502356184 1070430841 /nfs/dbraw/zinc/43/08/41/1070430841.db2.gz LDKBHIMCGKQYHD-UHFFFAOYSA-N 1 1 442.572 0.224 20 0 ICADMO CCN1CCCN(c2nnc(-c3cnccn3)n2CCCN2CC[NH+](CC)CC2)CC1=O ZINC001502356574 1070430602 /nfs/dbraw/zinc/43/06/02/1070430602.db2.gz PQOVZLGFCKHKHZ-UHFFFAOYSA-N 1 1 441.584 0.821 20 0 ICADMO CCN1CC[NH+](CCCn2c(C3CCC3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001502357172 1070430769 /nfs/dbraw/zinc/43/07/69/1070430769.db2.gz YCXSCMVCCRAIFR-UHFFFAOYSA-N 1 1 446.644 0.783 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3cnn(C)c3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001502357173 1070431751 /nfs/dbraw/zinc/43/17/51/1070431751.db2.gz YDAQZFNPDMIQAU-UHFFFAOYSA-N 1 1 443.600 0.798 20 0 ICADMO CCN1CC[NH+](CCCn2c(Cc3ccncc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502357589 1070431620 /nfs/dbraw/zinc/43/16/20/1070431620.db2.gz BMZZWGTVQDFKFS-FQEVSTJZSA-N 1 1 440.596 0.993 20 0 ICADMO CCN1CC[NH+](CCCn2c(Cc3ccncc3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502357598 1070431791 /nfs/dbraw/zinc/43/17/91/1070431791.db2.gz BUNMECTUCJAFEI-UHFFFAOYSA-N 1 1 440.596 0.960 20 0 ICADMO CCN1CC[NH+](CCCn2c(Cc3csc(C)n3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502358178 1070431737 /nfs/dbraw/zinc/43/17/37/1070431737.db2.gz IQICXQUDEUENKL-UHFFFAOYSA-N 1 1 446.625 0.940 20 0 ICADMO CCN1CC[NH+](CCCn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502358345 1070431527 /nfs/dbraw/zinc/43/15/27/1070431527.db2.gz KENUNUUQMRYTGH-PMACEKPBSA-N 1 1 449.600 0.151 20 0 ICADMO CCN1CC[NH+](CCCn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502358346 1070431696 /nfs/dbraw/zinc/43/16/96/1070431696.db2.gz KENUNUUQMRYTGH-UXHICEINSA-N 1 1 449.600 0.151 20 0 ICADMO CCN1CC[NH+](CCCn2c([C@H]3CCOC3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502358348 1070431453 /nfs/dbraw/zinc/43/14/53/1070431453.db2.gz KENUNUUQMRYTGH-VQTJNVASSA-N 1 1 449.600 0.151 20 0 ICADMO CCN1CC[NH+](CCCn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502358349 1070431777 /nfs/dbraw/zinc/43/17/77/1070431777.db2.gz KENUNUUQMRYTGH-WOJBJXKFSA-N 1 1 449.600 0.151 20 0 ICADMO CCN1CC[NH+](CCCn2c(Cc3cccnc3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001502358668 1070431672 /nfs/dbraw/zinc/43/16/72/1070431672.db2.gz PBFQVOJADFAHLF-IBGZPJMESA-N 1 1 440.596 0.958 20 0 ICADMO CCN1CC[NH+](CCCn2c(Cc3cccnc3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502358711 1070431491 /nfs/dbraw/zinc/43/14/91/1070431491.db2.gz PBFQVOJADFAHLF-LJQANCHMSA-N 1 1 440.596 0.958 20 0 ICADMO CCN1CC[NH+](CCCn2c(C3CCCC3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502359186 1070431802 /nfs/dbraw/zinc/43/18/02/1070431802.db2.gz XWYXDCPJMQKTQX-IBGZPJMESA-N 1 1 433.601 0.915 20 0 ICADMO CCN1CC[NH+](CCCn2c(C3CCCC3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502359187 1070431713 /nfs/dbraw/zinc/43/17/13/1070431713.db2.gz XWYXDCPJMQKTQX-LJQANCHMSA-N 1 1 433.601 0.915 20 0 ICADMO CCN1CC[NH+](CCCn2c(Cc3ccccn3)nnc2N2CCNC(=O)CC2)CC1 ZINC001502359273 1070431643 /nfs/dbraw/zinc/43/16/43/1070431643.db2.gz ZVSYCJMQVBGFTQ-UHFFFAOYSA-N 1 1 426.569 0.618 20 0 ICADMO CCN1CC[NH+](CCCn2c(CC3CC3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001502359532 1070431765 /nfs/dbraw/zinc/43/17/65/1070431765.db2.gz BLIUIFYGPZXZMF-UHFFFAOYSA-N 1 1 439.630 0.340 20 0 ICADMO CCN1CC[NH+](CCCn2c(Cn3nc(C)cc3C)nnc2N2CCNC(=O)C2)CC1 ZINC001502360231 1070431556 /nfs/dbraw/zinc/43/15/56/1070431556.db2.gz KDMLCMSRGCZTDV-UHFFFAOYSA-N 1 1 429.573 0.104 20 0 ICADMO CCN1CC[NH+](CCCn2c(CN3CCCC3=O)nnc2N(C)Cc2cnccn2)CC1 ZINC001502360638 1070431815 /nfs/dbraw/zinc/43/18/15/1070431815.db2.gz PCOPXXLOSZLNST-UHFFFAOYSA-N 1 1 441.584 0.855 20 0 ICADMO CCN1CC[NH+](CCCn2c([C@H]3CCCO3)nnc2N2CCN(CCOC)C(=O)C2)CC1 ZINC001502360811 1070431824 /nfs/dbraw/zinc/43/18/24/1070431824.db2.gz RLRBDIYNXBMPPU-LJQANCHMSA-N 1 1 449.600 0.452 20 0 ICADMO CCN1CC[NH+](CCCn2c(CCOc3ccccc3)nnc2N2CCNC(=O)C2)CC1 ZINC001502360822 1070431589 /nfs/dbraw/zinc/43/15/89/1070431589.db2.gz ROTCGPQNIFYRII-UHFFFAOYSA-N 1 1 441.580 0.863 20 0 ICADMO CCNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001502381871 1070435365 /nfs/dbraw/zinc/43/53/65/1070435365.db2.gz PSBMDEJSRMDXMP-CVEARBPZSA-N 1 1 435.573 0.548 20 0 ICADMO CCNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001502381872 1070435280 /nfs/dbraw/zinc/43/52/80/1070435280.db2.gz PSBMDEJSRMDXMP-HOTGVXAUSA-N 1 1 435.573 0.548 20 0 ICADMO CCNC(=O)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001502381873 1070436198 /nfs/dbraw/zinc/43/61/98/1070436198.db2.gz PSBMDEJSRMDXMP-HZPDHXFCSA-N 1 1 435.573 0.548 20 0 ICADMO CCNC(=O)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001502381874 1070436160 /nfs/dbraw/zinc/43/61/60/1070436160.db2.gz PSBMDEJSRMDXMP-JKSUJKDBSA-N 1 1 435.573 0.548 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(C(C)C)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001502422861 1070442066 /nfs/dbraw/zinc/44/20/66/1070442066.db2.gz NLCMBURKMAQIDI-UHFFFAOYSA-N 1 1 434.633 0.686 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(C(C)C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001502422861 1070442058 /nfs/dbraw/zinc/44/20/58/1070442058.db2.gz NLCMBURKMAQIDI-UHFFFAOYSA-N 1 1 434.633 0.686 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(C(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001502422861 1070442053 /nfs/dbraw/zinc/44/20/53/1070442053.db2.gz NLCMBURKMAQIDI-UHFFFAOYSA-N 1 1 434.633 0.686 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(C(C)C)n2C[C@H](C)[NH+]2CCN(CC)CC2)CC1 ZINC001502423263 1070441901 /nfs/dbraw/zinc/44/19/01/1070441901.db2.gz YJBMAVDRUVASSF-IBGZPJMESA-N 1 1 434.633 0.686 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(C(C)C)n2C[C@@H](C)[NH+]2CCN(CC)CC2)CC1 ZINC001502423264 1070441948 /nfs/dbraw/zinc/44/19/48/1070441948.db2.gz YJBMAVDRUVASSF-LJQANCHMSA-N 1 1 434.633 0.686 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(-c3cccn3C)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001502428825 1070444898 /nfs/dbraw/zinc/44/48/98/1070444898.db2.gz MEJZLZSTFLMXAL-GOSISDBHSA-N 1 1 444.584 0.262 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(-c3cccn3C)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001502428825 1070444894 /nfs/dbraw/zinc/44/48/94/1070444894.db2.gz MEJZLZSTFLMXAL-GOSISDBHSA-N 1 1 444.584 0.262 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(-c3cccn3C)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001502428826 1070444824 /nfs/dbraw/zinc/44/48/24/1070444824.db2.gz MEJZLZSTFLMXAL-SFHVURJKSA-N 1 1 444.584 0.262 20 0 ICADMO 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KTIRKZITBVRZBX-MOPGFXCFSA-N 1 1 433.601 0.899 20 0 ICADMO CCOCc1nnc(N2CCN3C(=O)CC[C@H]3C2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001503117020 1070543628 /nfs/dbraw/zinc/54/36/28/1070543628.db2.gz KTIRKZITBVRZBX-OALUTQOASA-N 1 1 433.601 0.899 20 0 ICADMO CCOCc1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001503117023 1070543430 /nfs/dbraw/zinc/54/34/30/1070543430.db2.gz KTIRKZITBVRZBX-RBUKOAKNSA-N 1 1 433.601 0.899 20 0 ICADMO CCOCc1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001503117024 1070543482 /nfs/dbraw/zinc/54/34/82/1070543482.db2.gz KTIRKZITBVRZBX-RTBURBONSA-N 1 1 433.601 0.899 20 0 ICADMO CCOCc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CCC[NH+]1CCOCC1 ZINC001503117855 1070544122 /nfs/dbraw/zinc/54/41/22/1070544122.db2.gz QTHQYFWXLIMVJP-INIZCTEOSA-N 1 1 430.575 0.007 20 0 ICADMO CCOCc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCNC(=O)c1ccccc1F ZINC001503118214 1070544512 /nfs/dbraw/zinc/54/45/12/1070544512.db2.gz LXEHWGWMSMJZIA-INIZCTEOSA-N 1 1 432.500 0.905 20 0 ICADMO CCOCc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCNC(=O)c1ccccc1F ZINC001503118214 1070544501 /nfs/dbraw/zinc/54/45/01/1070544501.db2.gz LXEHWGWMSMJZIA-INIZCTEOSA-N 1 1 432.500 0.905 20 0 ICADMO CCOCc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCNC(=O)c1ccccc1F ZINC001503118358 1070544474 /nfs/dbraw/zinc/54/44/74/1070544474.db2.gz LXEHWGWMSMJZIA-MRXNPFEDSA-N 1 1 432.500 0.905 20 0 ICADMO CCOCc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCNC(=O)c1ccccc1F ZINC001503118358 1070544458 /nfs/dbraw/zinc/54/44/58/1070544458.db2.gz LXEHWGWMSMJZIA-MRXNPFEDSA-N 1 1 432.500 0.905 20 0 ICADMO CCOCc1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001503118516 1070545383 /nfs/dbraw/zinc/54/53/83/1070545383.db2.gz RCSYTKGNANBGFZ-MSOLQXFVSA-N 1 1 447.584 0.568 20 0 ICADMO CCOCc1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001503118519 1070545176 /nfs/dbraw/zinc/54/51/76/1070545176.db2.gz RCSYTKGNANBGFZ-QZTJIDSGSA-N 1 1 447.584 0.568 20 0 ICADMO CCOCc1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001503118521 1070545080 /nfs/dbraw/zinc/54/50/80/1070545080.db2.gz RCSYTKGNANBGFZ-ROUUACIJSA-N 1 1 447.584 0.568 20 0 ICADMO CCOCc1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001503118523 1070545333 /nfs/dbraw/zinc/54/53/33/1070545333.db2.gz RCSYTKGNANBGFZ-ZWKOTPCHSA-N 1 1 447.584 0.568 20 0 ICADMO CCOCc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC(=O)NCCc1ccccc1 ZINC001503119534 1070545934 /nfs/dbraw/zinc/54/59/34/1070545934.db2.gz WKYWXYMBDIHJTN-IBGZPJMESA-N 1 1 428.537 0.694 20 0 ICADMO CCOCc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC(=O)NCCc1ccccc1 ZINC001503119534 1070545920 /nfs/dbraw/zinc/54/59/20/1070545920.db2.gz WKYWXYMBDIHJTN-IBGZPJMESA-N 1 1 428.537 0.694 20 0 ICADMO CCOCc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC(=O)NCCc1ccccc1 ZINC001503119535 1070545708 /nfs/dbraw/zinc/54/57/08/1070545708.db2.gz WKYWXYMBDIHJTN-LJQANCHMSA-N 1 1 428.537 0.694 20 0 ICADMO CCOCc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC(=O)NCCc1ccccc1 ZINC001503119535 1070545699 /nfs/dbraw/zinc/54/56/99/1070545699.db2.gz WKYWXYMBDIHJTN-LJQANCHMSA-N 1 1 428.537 0.694 20 0 ICADMO CCOCc1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001503119903 1070546431 /nfs/dbraw/zinc/54/64/31/1070546431.db2.gz ZPEJPDSVCPBFPF-DLBZAZTESA-N 1 1 426.587 0.913 20 0 ICADMO CCOCc1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001503119905 1070546641 /nfs/dbraw/zinc/54/66/41/1070546641.db2.gz ZPEJPDSVCPBFPF-IAGOWNOFSA-N 1 1 426.587 0.913 20 0 ICADMO CCOCc1nnc(N2CCS(=O)(=O)CC2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001503130733 1070547626 /nfs/dbraw/zinc/54/76/26/1070547626.db2.gz VNGKHXVTDLJLOY-UHFFFAOYSA-N 1 1 449.577 0.930 20 0 ICADMO CCOCc1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001503132205 1070548482 /nfs/dbraw/zinc/54/84/82/1070548482.db2.gz LKMVJSJLPQOGQL-JHVJFLLYSA-N 1 1 436.557 0.985 20 0 ICADMO CCOCc1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001503132206 1070548406 /nfs/dbraw/zinc/54/84/06/1070548406.db2.gz LKMVJSJLPQOGQL-RVHYNSKXSA-N 1 1 436.557 0.985 20 0 ICADMO CCOCc1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001503132398 1070548429 /nfs/dbraw/zinc/54/84/29/1070548429.db2.gz ODVWWGNPOJRABF-FGTMMUONSA-N 1 1 439.557 0.532 20 0 ICADMO CCOCc1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001503132399 1070548112 /nfs/dbraw/zinc/54/81/12/1070548112.db2.gz ODVWWGNPOJRABF-KZNAEPCWSA-N 1 1 439.557 0.532 20 0 ICADMO CCOCc1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001503132582 1070548316 /nfs/dbraw/zinc/54/83/16/1070548316.db2.gz QVEOSKIFIJFXKH-HZPDHXFCSA-N 1 1 425.530 0.286 20 0 ICADMO CCOCc1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001503132582 1070548304 /nfs/dbraw/zinc/54/83/04/1070548304.db2.gz QVEOSKIFIJFXKH-HZPDHXFCSA-N 1 1 425.530 0.286 20 0 ICADMO CCOC[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001503149167 1070549330 /nfs/dbraw/zinc/54/93/30/1070549330.db2.gz RZWRQYNPRGOPKY-HRAATJIYSA-N 1 1 429.525 0.855 20 0 ICADMO CCOC[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001503149169 1070549450 /nfs/dbraw/zinc/54/94/50/1070549450.db2.gz RZWRQYNPRGOPKY-IERDGZPVSA-N 1 1 429.525 0.855 20 0 ICADMO CCOC[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001503149170 1070549544 /nfs/dbraw/zinc/54/95/44/1070549544.db2.gz RZWRQYNPRGOPKY-IIBYNOLFSA-N 1 1 429.525 0.855 20 0 ICADMO CCOC[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001503149171 1070549657 /nfs/dbraw/zinc/54/96/57/1070549657.db2.gz RZWRQYNPRGOPKY-KKSFZXQISA-N 1 1 429.525 0.855 20 0 ICADMO CCOC[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2cc[nH+]c2C)C1 ZINC001503149266 1070549702 /nfs/dbraw/zinc/54/97/02/1070549702.db2.gz SRLAZYVBHYTQTF-GDBMZVCRSA-N 1 1 425.559 0.956 20 0 ICADMO CCOC[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2cc[nH+]c2C)C1 ZINC001503149269 1070549367 /nfs/dbraw/zinc/54/93/67/1070549367.db2.gz SRLAZYVBHYTQTF-GOEBONIOSA-N 1 1 425.559 0.956 20 0 ICADMO CCOC[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2cc[nH+]c2C)C1 ZINC001503149271 1070549569 /nfs/dbraw/zinc/54/95/69/1070549569.db2.gz SRLAZYVBHYTQTF-HOCLYGCPSA-N 1 1 425.559 0.956 20 0 ICADMO CCOC[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2cc[nH+]c2C)C1 ZINC001503149273 1070549491 /nfs/dbraw/zinc/54/94/91/1070549491.db2.gz SRLAZYVBHYTQTF-ZBFHGGJFSA-N 1 1 425.559 0.956 20 0 ICADMO CCOCCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001503186928 1070552779 /nfs/dbraw/zinc/55/27/79/1070552779.db2.gz IRLRITAGXUCUIV-FQEVSTJZSA-N 1 1 437.566 0.888 20 0 ICADMO CCOCCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001503186929 1070553008 /nfs/dbraw/zinc/55/30/08/1070553008.db2.gz IRLRITAGXUCUIV-HXUWFJFHSA-N 1 1 437.566 0.888 20 0 ICADMO CCOCCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001503193206 1070553556 /nfs/dbraw/zinc/55/35/56/1070553556.db2.gz WXTYJKVYPYHJLA-JOCHJYFZSA-N 1 1 444.584 0.991 20 0 ICADMO CCOCCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001503193208 1070553685 /nfs/dbraw/zinc/55/36/85/1070553685.db2.gz WXTYJKVYPYHJLA-QFIPXVFZSA-N 1 1 444.584 0.991 20 0 ICADMO CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001503209338 1070555588 /nfs/dbraw/zinc/55/55/88/1070555588.db2.gz BLKOPPUPUZPREA-IAGOWNOFSA-N 1 1 441.598 0.906 20 0 ICADMO CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001503209338 1070555574 /nfs/dbraw/zinc/55/55/74/1070555574.db2.gz BLKOPPUPUZPREA-IAGOWNOFSA-N 1 1 441.598 0.906 20 0 ICADMO CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001503209339 1070555377 /nfs/dbraw/zinc/55/53/77/1070555377.db2.gz BLKOPPUPUZPREA-SJORKVTESA-N 1 1 441.598 0.906 20 0 ICADMO CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001503209339 1070555368 /nfs/dbraw/zinc/55/53/68/1070555368.db2.gz BLKOPPUPUZPREA-SJORKVTESA-N 1 1 441.598 0.906 20 0 ICADMO CCOCCn1c(CN2CCCC2=O)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001503210019 1070555278 /nfs/dbraw/zinc/55/52/78/1070555278.db2.gz BCUBQLURQQIKTO-HKUYNNGSSA-N 1 1 447.584 0.426 20 0 ICADMO CCOCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001503210022 1070555343 /nfs/dbraw/zinc/55/53/43/1070555343.db2.gz BCUBQLURQQIKTO-IEBWSBKVSA-N 1 1 447.584 0.426 20 0 ICADMO CCOCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001503210024 1070555619 /nfs/dbraw/zinc/55/56/19/1070555619.db2.gz BCUBQLURQQIKTO-MJGOQNOKSA-N 1 1 447.584 0.426 20 0 ICADMO CCOCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001503210026 1070555232 /nfs/dbraw/zinc/55/52/32/1070555232.db2.gz BCUBQLURQQIKTO-PKOBYXMFSA-N 1 1 447.584 0.426 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CCOCC2)CC1 ZINC001503213855 1070556704 /nfs/dbraw/zinc/55/67/04/1070556704.db2.gz CWMKCGOCSKXSQR-IBGZPJMESA-N 1 1 449.600 0.393 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001503213856 1070556626 /nfs/dbraw/zinc/55/66/26/1070556626.db2.gz CWMKCGOCSKXSQR-LJQANCHMSA-N 1 1 449.600 0.393 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCOC2)CC1 ZINC001503215002 1070556913 /nfs/dbraw/zinc/55/69/13/1070556913.db2.gz AFMMZDLGXDDEAJ-NRFANRHFSA-N 1 1 445.524 0.235 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCOC2)CC1 ZINC001503215003 1070556754 /nfs/dbraw/zinc/55/67/54/1070556754.db2.gz AFMMZDLGXDDEAJ-OAQYLSRUSA-N 1 1 445.524 0.235 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ncnn2C(C)(C)C)CC1 ZINC001503215348 1070556716 /nfs/dbraw/zinc/55/67/16/1070556716.db2.gz DLPCSSOWBXXOTD-UHFFFAOYSA-N 1 1 447.588 0.970 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2nnc(C)s2)CC1 ZINC001503215480 1070556950 /nfs/dbraw/zinc/55/69/50/1070556950.db2.gz GJVBIXHAFIQGBB-UHFFFAOYSA-N 1 1 436.586 0.977 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCOC[C@@H]2C)CC1 ZINC001503215994 1070556736 /nfs/dbraw/zinc/55/67/36/1070556736.db2.gz KPIPMSYJSAQZIV-IBGZPJMESA-N 1 1 449.600 0.393 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCOC[C@H]2C)CC1 ZINC001503215995 1070556999 /nfs/dbraw/zinc/55/69/99/1070556999.db2.gz KPIPMSYJSAQZIV-LJQANCHMSA-N 1 1 449.600 0.393 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCc2nc(C)no2)CC1 ZINC001503216020 1070556850 /nfs/dbraw/zinc/55/68/50/1070556850.db2.gz KVCGIDWTVYFTQB-UHFFFAOYSA-N 1 1 446.556 0.997 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2COCCO2)CC1 ZINC001503216209 1070556658 /nfs/dbraw/zinc/55/66/58/1070556658.db2.gz BMRFLKRFIFITRA-NQIIRXRSSA-N 1 1 439.557 0.504 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2COCCO2)CC1 ZINC001503216212 1070557866 /nfs/dbraw/zinc/55/78/66/1070557866.db2.gz BMRFLKRFIFITRA-WIYYLYMNSA-N 1 1 439.557 0.504 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001503216974 1070557768 /nfs/dbraw/zinc/55/77/68/1070557768.db2.gz RQAWZNMCMCJOQM-UHFFFAOYSA-N 1 1 449.600 0.977 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nncn2CC)CC1 ZINC001503217216 1070557921 /nfs/dbraw/zinc/55/79/21/1070557921.db2.gz WCMNHZMOVHVMFZ-UHFFFAOYSA-N 1 1 431.545 0.332 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C)COC2)CC1 ZINC001503217341 1070557593 /nfs/dbraw/zinc/55/75/93/1070557593.db2.gz MZXXAOKEYWOTKI-HNNXBMFYSA-N 1 1 430.575 0.083 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C)COC2)CC1 ZINC001503217342 1070557452 /nfs/dbraw/zinc/55/74/52/1070557452.db2.gz MZXXAOKEYWOTKI-OAHLLOKOSA-N 1 1 430.575 0.083 20 0 ICADMO CCOCC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(C)CN(C)C2=O)C[C@@H]1CC ZINC001503217387 1070557485 /nfs/dbraw/zinc/55/74/85/1070557485.db2.gz XZMDXKRYLSPBRI-HTAPYJJXSA-N 1 1 449.600 0.832 20 0 ICADMO CCOCC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(C)CN(C)C2=O)C[C@@H]1CC ZINC001503217388 1070557898 /nfs/dbraw/zinc/55/78/98/1070557898.db2.gz XZMDXKRYLSPBRI-JTSKRJEESA-N 1 1 449.600 0.832 20 0 ICADMO CCOCC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(C)CN(C)C2=O)C[C@H]1CC ZINC001503217389 1070557693 /nfs/dbraw/zinc/55/76/93/1070557693.db2.gz XZMDXKRYLSPBRI-VGOFRKELSA-N 1 1 449.600 0.832 20 0 ICADMO CCOCC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(C)CN(C)C2=O)C[C@H]1CC ZINC001503217390 1070557723 /nfs/dbraw/zinc/55/77/23/1070557723.db2.gz XZMDXKRYLSPBRI-VGSWGCGISA-N 1 1 449.600 0.832 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cnn(C)c2)CC1 ZINC001503217790 1070557803 /nfs/dbraw/zinc/55/78/03/1070557803.db2.gz UHTDRCZJFSJKCL-NRFANRHFSA-N 1 1 433.557 0.871 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cnn(C)c2)CC1 ZINC001503217794 1070557938 /nfs/dbraw/zinc/55/79/38/1070557938.db2.gz UHTDRCZJFSJKCL-OAQYLSRUSA-N 1 1 433.557 0.871 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccn(C)n2)CC1 ZINC001503218206 1070557528 /nfs/dbraw/zinc/55/75/28/1070557528.db2.gz ZNYIJVPTNOLLMV-NRFANRHFSA-N 1 1 433.557 0.871 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccn(C)n2)CC1 ZINC001503218208 1070557628 /nfs/dbraw/zinc/55/76/28/1070557628.db2.gz ZNYIJVPTNOLLMV-OAQYLSRUSA-N 1 1 433.557 0.871 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001503218398 1070557566 /nfs/dbraw/zinc/55/75/66/1070557566.db2.gz AUELADLVAOSPRM-UHFFFAOYSA-N 1 1 441.540 0.595 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001503218412 1070557827 /nfs/dbraw/zinc/55/78/27/1070557827.db2.gz BDEZECQWEQOVCJ-UHFFFAOYSA-N 1 1 437.570 0.390 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(-c3cccnc3)n2CCC(=O)N2CCOCC2)CC1 ZINC001503219835 1070558586 /nfs/dbraw/zinc/55/85/86/1070558586.db2.gz RICKBFVIQGKYCQ-UHFFFAOYSA-N 1 1 443.552 0.748 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2nnc(CC)s2)CC1 ZINC001503220234 1070558352 /nfs/dbraw/zinc/55/83/52/1070558352.db2.gz JLTDVRCLJVLHSH-AWEZNQCLSA-N 1 1 434.570 0.850 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2nnc(CC)s2)CC1 ZINC001503220238 1070558619 /nfs/dbraw/zinc/55/86/19/1070558619.db2.gz JLTDVRCLJVLHSH-CQSZACIVSA-N 1 1 434.570 0.850 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C)n(C)c2=O)CC1 ZINC001503220530 1070558696 /nfs/dbraw/zinc/55/86/96/1070558696.db2.gz WNOOJFHYEHWIFV-UHFFFAOYSA-N 1 1 440.552 0.893 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(C(N)=O)CCCC2)CC1 ZINC001503220600 1070558458 /nfs/dbraw/zinc/55/84/58/1070558458.db2.gz XKGAVYXQXKKDPT-UHFFFAOYSA-N 1 1 430.557 0.883 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCCCC2=O)CC1 ZINC001503220941 1070558731 /nfs/dbraw/zinc/55/87/31/1070558731.db2.gz NBZFTNGAFVILFP-GOSISDBHSA-N 1 1 447.584 0.790 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCCCC2=O)CC1 ZINC001503220943 1070558297 /nfs/dbraw/zinc/55/82/97/1070558297.db2.gz NBZFTNGAFVILFP-SFHVURJKSA-N 1 1 447.584 0.790 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C3CC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001503221981 1070558379 /nfs/dbraw/zinc/55/83/79/1070558379.db2.gz VIRMXDKMHQMJDH-UHFFFAOYSA-N 1 1 427.571 0.254 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC(=O)N2)CC1 ZINC001503222161 1070558261 /nfs/dbraw/zinc/55/82/61/1070558261.db2.gz GCKUNWGLITVUIC-GOSISDBHSA-N 1 1 430.557 0.577 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)N(C)CC)CC1 ZINC001503222163 1070558713 /nfs/dbraw/zinc/55/87/13/1070558713.db2.gz XLEYIIYMERNYEL-UHFFFAOYSA-N 1 1 447.540 0.643 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CCc2nnc(C)s2)CC1 ZINC001503223087 1070559101 /nfs/dbraw/zinc/55/91/01/1070559101.db2.gz NFBJPVZRRJZRBA-UHFFFAOYSA-N 1 1 448.597 0.962 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001503223484 1070559460 /nfs/dbraw/zinc/55/94/60/1070559460.db2.gz PJUOUPMSINLCGL-KRWDZBQOSA-N 1 1 447.584 0.474 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001503223485 1070559148 /nfs/dbraw/zinc/55/91/48/1070559148.db2.gz PJUOUPMSINLCGL-QGZVFWFLSA-N 1 1 447.584 0.474 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001503223591 1070559239 /nfs/dbraw/zinc/55/92/39/1070559239.db2.gz NPTGJWYZTDZKIB-DLBZAZTESA-N 1 1 449.556 0.666 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001503223592 1070559404 /nfs/dbraw/zinc/55/94/04/1070559404.db2.gz NPTGJWYZTDZKIB-IRXDYDNUSA-N 1 1 449.556 0.666 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(C)COCCO2)CC1 ZINC001503223770 1070559437 /nfs/dbraw/zinc/55/94/37/1070559437.db2.gz RUWWAIDETCXRSG-NRFANRHFSA-N 1 1 436.557 0.365 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(C)COCCO2)CC1 ZINC001503223771 1070559292 /nfs/dbraw/zinc/55/92/92/1070559292.db2.gz RUWWAIDETCXRSG-OAQYLSRUSA-N 1 1 436.557 0.365 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(O)CCOCC2)CC1 ZINC001503223807 1070559386 /nfs/dbraw/zinc/55/93/86/1070559386.db2.gz SUXIIQJSYUTRTO-UHFFFAOYSA-N 1 1 447.584 0.840 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C)n(C)c2=O)CC1 ZINC001503224052 1070559323 /nfs/dbraw/zinc/55/93/23/1070559323.db2.gz RKWLDFHLEPAZLC-IBGZPJMESA-N 1 1 430.553 0.996 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C)n(C)c2=O)CC1 ZINC001503224061 1070559422 /nfs/dbraw/zinc/55/94/22/1070559422.db2.gz RKWLDFHLEPAZLC-LJQANCHMSA-N 1 1 430.553 0.996 20 0 ICADMO CCOCC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cnnn2C)C[C@@H]1CC ZINC001503224328 1070559345 /nfs/dbraw/zinc/55/93/45/1070559345.db2.gz YSHRAUPUUIGLOI-KRWDZBQOSA-N 1 1 445.572 0.514 20 0 ICADMO CCOCC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cnnn2C)C[C@H]1CC ZINC001503224330 1070559507 /nfs/dbraw/zinc/55/95/07/1070559507.db2.gz YSHRAUPUUIGLOI-QGZVFWFLSA-N 1 1 445.572 0.514 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001503224482 1070559372 /nfs/dbraw/zinc/55/93/72/1070559372.db2.gz CETKBRUXZPPHML-QGZVFWFLSA-N 1 1 432.529 0.441 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCN(C(C)=O)CC2)CC1 ZINC001503224688 1070559261 /nfs/dbraw/zinc/55/92/61/1070559261.db2.gz VEKLOSWGPXDICU-FQEVSTJZSA-N 1 1 449.600 0.105 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCN(C(C)=O)CC2)CC1 ZINC001503224691 1070559180 /nfs/dbraw/zinc/55/91/80/1070559180.db2.gz VEKLOSWGPXDICU-HXUWFJFHSA-N 1 1 449.600 0.105 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001503224837 1070559924 /nfs/dbraw/zinc/55/99/24/1070559924.db2.gz FAAPSHBXIKSRGH-JKSUJKDBSA-N 1 1 435.529 0.276 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(CC(C)C)n2CCN2CCCS2(=O)=O)CC1 ZINC001503225604 1070560014 /nfs/dbraw/zinc/56/00/14/1070560014.db2.gz ZMFIXUWULHCPJI-UHFFFAOYSA-N 1 1 428.603 0.671 20 0 ICADMO CCOCCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001503229214 1070560799 /nfs/dbraw/zinc/56/07/99/1070560799.db2.gz HWFYDLPSQPWTFF-SIKLNZKXSA-N 1 1 430.553 0.962 20 0 ICADMO CCOCCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001503229217 1070560622 /nfs/dbraw/zinc/56/06/22/1070560622.db2.gz HWFYDLPSQPWTFF-UGKGYDQZSA-N 1 1 430.553 0.962 20 0 ICADMO CCS(=O)(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001503233969 1070561956 /nfs/dbraw/zinc/56/19/56/1070561956.db2.gz JYRUWFHSMCGFPW-BEFAXECRSA-N 1 1 427.571 0.252 20 0 ICADMO CCS(=O)(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001503233970 1070562012 /nfs/dbraw/zinc/56/20/12/1070562012.db2.gz JYRUWFHSMCGFPW-DNVCBOLYSA-N 1 1 427.571 0.252 20 0 ICADMO CCS(=O)(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001503233971 1070562139 /nfs/dbraw/zinc/56/21/39/1070562139.db2.gz JYRUWFHSMCGFPW-HNAYVOBHSA-N 1 1 427.571 0.252 20 0 ICADMO CCS(=O)(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001503233972 1070562228 /nfs/dbraw/zinc/56/22/28/1070562228.db2.gz JYRUWFHSMCGFPW-KXBFYZLASA-N 1 1 427.571 0.252 20 0 ICADMO CCS(=O)(=O)CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001503243634 1070566290 /nfs/dbraw/zinc/56/62/90/1070566290.db2.gz JSHSAHDRSRPNEI-INIZCTEOSA-N 1 1 449.581 0.844 20 0 ICADMO CCS(=O)(=O)CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001503243635 1070566072 /nfs/dbraw/zinc/56/60/72/1070566072.db2.gz JSHSAHDRSRPNEI-MRXNPFEDSA-N 1 1 449.581 0.844 20 0 ICADMO CCS(=O)(=O)CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001503250311 1070568762 /nfs/dbraw/zinc/56/87/62/1070568762.db2.gz ABZMBZDIJBKMBO-INIZCTEOSA-N 1 1 438.598 0.756 20 0 ICADMO CCS(=O)(=O)CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001503250318 1070568613 /nfs/dbraw/zinc/56/86/13/1070568613.db2.gz ABZMBZDIJBKMBO-MRXNPFEDSA-N 1 1 438.598 0.756 20 0 ICADMO CCS(=O)(=O)CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001503250491 1070569447 /nfs/dbraw/zinc/56/94/47/1070569447.db2.gz DVZSQNBNULAHSB-INIZCTEOSA-N 1 1 449.581 0.731 20 0 ICADMO CCS(=O)(=O)CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001503250689 1070569336 /nfs/dbraw/zinc/56/93/36/1070569336.db2.gz DVZSQNBNULAHSB-MRXNPFEDSA-N 1 1 449.581 0.731 20 0 ICADMO CCS(=O)(=O)CCN(C)c1nnc(Cc2ccccc2F)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001503252138 1070570588 /nfs/dbraw/zinc/57/05/88/1070570588.db2.gz MGZWTNQDKTVLCJ-FQEVSTJZSA-N 1 1 439.557 0.946 20 0 ICADMO CCS(=O)(=O)CCN(C)c1nnc(Cc2ccccc2F)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001503252138 1070570572 /nfs/dbraw/zinc/57/05/72/1070570572.db2.gz MGZWTNQDKTVLCJ-FQEVSTJZSA-N 1 1 439.557 0.946 20 0 ICADMO CCS(=O)(=O)CCN(C)c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001503252140 1070570451 /nfs/dbraw/zinc/57/04/51/1070570451.db2.gz MGZWTNQDKTVLCJ-HXUWFJFHSA-N 1 1 439.557 0.946 20 0 ICADMO CCS(=O)(=O)CCN(C)c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001503252140 1070570439 /nfs/dbraw/zinc/57/04/39/1070570439.db2.gz MGZWTNQDKTVLCJ-HXUWFJFHSA-N 1 1 439.557 0.946 20 0 ICADMO CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001503255811 1070573436 /nfs/dbraw/zinc/57/34/36/1070573436.db2.gz FEIIDRQVXGMGFB-KRWDZBQOSA-N 1 1 449.581 0.451 20 0 ICADMO CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001503255812 1070573333 /nfs/dbraw/zinc/57/33/33/1070573333.db2.gz FEIIDRQVXGMGFB-QGZVFWFLSA-N 1 1 449.581 0.451 20 0 ICADMO CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001503260068 1070576292 /nfs/dbraw/zinc/57/62/92/1070576292.db2.gz USAVLPXEPIMUML-IAGOWNOFSA-N 1 1 441.598 0.906 20 0 ICADMO CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001503260068 1070576282 /nfs/dbraw/zinc/57/62/82/1070576282.db2.gz USAVLPXEPIMUML-IAGOWNOFSA-N 1 1 441.598 0.906 20 0 ICADMO CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001503260071 1070576258 /nfs/dbraw/zinc/57/62/58/1070576258.db2.gz USAVLPXEPIMUML-SJORKVTESA-N 1 1 441.598 0.906 20 0 ICADMO CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001503260071 1070576254 /nfs/dbraw/zinc/57/62/54/1070576254.db2.gz USAVLPXEPIMUML-SJORKVTESA-N 1 1 441.598 0.906 20 0 ICADMO CCS(=O)(=O)CCn1c(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nnc1C(C)(C)C ZINC001503262959 1070577344 /nfs/dbraw/zinc/57/73/44/1070577344.db2.gz UKLNFPWXFSEBSC-INIZCTEOSA-N 1 1 440.614 0.753 20 0 ICADMO CCS(=O)(=O)CCn1c(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)nnc1C(C)(C)C ZINC001503262960 1070577546 /nfs/dbraw/zinc/57/75/46/1070577546.db2.gz UKLNFPWXFSEBSC-MRXNPFEDSA-N 1 1 440.614 0.753 20 0 ICADMO CCS(=O)(=O)NC1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+](C)C(C)C)CC1 ZINC001503269966 1070580837 /nfs/dbraw/zinc/58/08/37/1070580837.db2.gz IUZHKWOTMVZSNC-UHFFFAOYSA-N 1 1 443.618 0.665 20 0 ICADMO CCS(=O)(=O)NC1CCN(c2nnc(C3CC3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001503270145 1070581603 /nfs/dbraw/zinc/58/16/03/1070581603.db2.gz AKVJDWIYADSGOW-GOSISDBHSA-N 1 1 440.614 0.910 20 0 ICADMO CCS(=O)(=O)NC1CCN(c2nnc(C3CC3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001503270147 1070581262 /nfs/dbraw/zinc/58/12/62/1070581262.db2.gz AKVJDWIYADSGOW-SFHVURJKSA-N 1 1 440.614 0.910 20 0 ICADMO CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001503270870 1070581474 /nfs/dbraw/zinc/58/14/74/1070581474.db2.gz VPSURMALXDEKRB-DLBZAZTESA-N 1 1 442.586 0.322 20 0 ICADMO CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001503270870 1070581460 /nfs/dbraw/zinc/58/14/60/1070581460.db2.gz VPSURMALXDEKRB-DLBZAZTESA-N 1 1 442.586 0.322 20 0 ICADMO CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001503270873 1070581556 /nfs/dbraw/zinc/58/15/56/1070581556.db2.gz VPSURMALXDEKRB-IAGOWNOFSA-N 1 1 442.586 0.322 20 0 ICADMO CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001503270873 1070581541 /nfs/dbraw/zinc/58/15/41/1070581541.db2.gz VPSURMALXDEKRB-IAGOWNOFSA-N 1 1 442.586 0.322 20 0 ICADMO CCS(=O)(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001503272054 1070582578 /nfs/dbraw/zinc/58/25/78/1070582578.db2.gz QSHFAOJLPOYNPI-APWZRJJASA-N 1 1 442.586 0.104 20 0 ICADMO CCS(=O)(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001503272055 1070582790 /nfs/dbraw/zinc/58/27/90/1070582790.db2.gz QSHFAOJLPOYNPI-VQIMIIECSA-N 1 1 442.586 0.104 20 0 ICADMO CCS(=O)(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2CCn2cc[nH+]c2C)CC1 ZINC001503275200 1070584505 /nfs/dbraw/zinc/58/45/05/1070584505.db2.gz SKDVLUHGABICSM-INIZCTEOSA-N 1 1 437.570 0.895 20 0 ICADMO CCS(=O)(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2CCn2cc[nH+]c2C)CC1 ZINC001503275201 1070584275 /nfs/dbraw/zinc/58/42/75/1070584275.db2.gz SKDVLUHGABICSM-MRXNPFEDSA-N 1 1 437.570 0.895 20 0 ICADMO CCS(=O)(=O)NCCCn1c(Cc2ccncc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001503277504 1070586617 /nfs/dbraw/zinc/58/66/17/1070586617.db2.gz LUAFZGCTUSCFBJ-GOSISDBHSA-N 1 1 449.581 0.114 20 0 ICADMO CCS(=O)(=O)NCCCn1c(Cc2ccncc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001503277504 1070586608 /nfs/dbraw/zinc/58/66/08/1070586608.db2.gz LUAFZGCTUSCFBJ-GOSISDBHSA-N 1 1 449.581 0.114 20 0 ICADMO CCS(=O)(=O)NCCCn1c(Cc2ccncc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001503277509 1070586588 /nfs/dbraw/zinc/58/65/88/1070586588.db2.gz LUAFZGCTUSCFBJ-SFHVURJKSA-N 1 1 449.581 0.114 20 0 ICADMO CCS(=O)(=O)NCCCn1c(Cc2ccncc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001503277509 1070586575 /nfs/dbraw/zinc/58/65/75/1070586575.db2.gz LUAFZGCTUSCFBJ-SFHVURJKSA-N 1 1 449.581 0.114 20 0 ICADMO CCS(=O)(=O)NCCn1c(C(C)C)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001503278120 1070586946 /nfs/dbraw/zinc/58/69/46/1070586946.db2.gz QHNNYXCGBRVVNX-UHFFFAOYSA-N 1 1 438.602 0.787 20 0 ICADMO CCS(=O)(=O)NCCCn1c(CC2CCCC2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001503278546 1070587775 /nfs/dbraw/zinc/58/77/75/1070587775.db2.gz YIBQIZRCHOAGOV-GOSISDBHSA-N 1 1 440.614 0.861 20 0 ICADMO CCS(=O)(=O)NCCCn1c(CC2CCCC2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001503278546 1070587764 /nfs/dbraw/zinc/58/77/64/1070587764.db2.gz YIBQIZRCHOAGOV-GOSISDBHSA-N 1 1 440.614 0.861 20 0 ICADMO CCS(=O)(=O)NCCCn1c(CC2CCCC2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001503278548 1070587679 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CCS(=O)(=O)NCCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001503284862 1070594088 /nfs/dbraw/zinc/59/40/88/1070594088.db2.gz MOUFBHMCJVZTEQ-IAGOWNOFSA-N 1 1 442.630 0.963 20 0 ICADMO CCS(=O)(=O)NCCn1c(CC(C)(C)C)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001503284863 1070594329 /nfs/dbraw/zinc/59/43/29/1070594329.db2.gz MOUFBHMCJVZTEQ-IRXDYDNUSA-N 1 1 442.630 0.963 20 0 ICADMO CCS(=O)(=O)NCCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001503284864 1070594304 /nfs/dbraw/zinc/59/43/04/1070594304.db2.gz MOUFBHMCJVZTEQ-SJORKVTESA-N 1 1 442.630 0.963 20 0 ICADMO CC[S@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001503286776 1070596449 /nfs/dbraw/zinc/59/64/49/1070596449.db2.gz XPVYAPTYYYHGKO-PMERELPUSA-N 1 1 438.598 0.584 20 0 ICADMO CC[S@@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001503286777 1070597056 /nfs/dbraw/zinc/59/70/56/1070597056.db2.gz XPVYAPTYYYHGKO-SSEXGKCCSA-N 1 1 438.598 0.584 20 0 ICADMO CC[S@@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001503290483 1070598781 /nfs/dbraw/zinc/59/87/81/1070598781.db2.gz PXLJAKKQHOUNGP-KUNJGFBQSA-N 1 1 434.632 0.577 20 0 ICADMO CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001503290496 1070598549 /nfs/dbraw/zinc/59/85/49/1070598549.db2.gz PXLJAKKQHOUNGP-QZXCRCNTSA-N 1 1 434.632 0.577 20 0 ICADMO CC[S@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001503290497 1070599367 /nfs/dbraw/zinc/59/93/67/1070599367.db2.gz PXLJAKKQHOUNGP-RXAIFQJESA-N 1 1 434.632 0.577 20 0 ICADMO CC[S@@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001503290499 1070599255 /nfs/dbraw/zinc/59/92/55/1070599255.db2.gz PXLJAKKQHOUNGP-YVORESIASA-N 1 1 434.632 0.577 20 0 ICADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(Nc2cnn(C)c2)nnc1[C@H]1CCC(=O)N1 ZINC001503357899 1070609277 /nfs/dbraw/zinc/60/92/77/1070609277.db2.gz PFOPHYSYCPZULD-CVEARBPZSA-N 1 1 429.529 0.649 20 0 ICADMO 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/nfs/dbraw/zinc/86/35/35/1070863535.db2.gz PMPVARYBNPGCCN-HSALFYBXSA-N 1 1 429.521 0.848 20 0 ICADMO COC(=O)C[C@@H]1CN(c2nnc(C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H]1O ZINC001517689848 1070863518 /nfs/dbraw/zinc/86/35/18/1070863518.db2.gz PMPVARYBNPGCCN-HSALFYBXSA-N 1 1 429.521 0.848 20 0 ICADMO COC(=O)C[C@@H]1CN(c2nnc(C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H]1O ZINC001517689854 1070863064 /nfs/dbraw/zinc/86/30/64/1070863064.db2.gz PMPVARYBNPGCCN-VAMGGRTRSA-N 1 1 429.521 0.848 20 0 ICADMO COC(=O)C[C@@H]1CN(c2nnc(C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H]1O ZINC001517689854 1070863040 /nfs/dbraw/zinc/86/30/40/1070863040.db2.gz PMPVARYBNPGCCN-VAMGGRTRSA-N 1 1 429.521 0.848 20 0 ICADMO COC(=O)C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H]1O ZINC001517690974 1070864241 /nfs/dbraw/zinc/86/42/41/1070864241.db2.gz ZOXBJHJIZODGGY-CDMIOBSGSA-N 1 1 447.511 0.435 20 0 ICADMO COC(=O)C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1O ZINC001517691076 1070863854 /nfs/dbraw/zinc/86/38/54/1070863854.db2.gz ZOXBJHJIZODGGY-RADWXHQJSA-N 1 1 447.511 0.435 20 0 ICADMO COC(=O)C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@@H+](C)C2CC2)C[C@H]1O ZINC001517692658 1070865129 /nfs/dbraw/zinc/86/51/29/1070865129.db2.gz ZOVXSGQWQLCESP-BFYDXBDKSA-N 1 1 434.541 0.357 20 0 ICADMO COC(=O)C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@@H+](C)C2CC2)C[C@H]1O ZINC001517692661 1070865379 /nfs/dbraw/zinc/86/53/79/1070865379.db2.gz ZOVXSGQWQLCESP-ZMSDIMECSA-N 1 1 434.541 0.357 20 0 ICADMO COC(=O)C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C[C@H]1O ZINC001517695148 1070866772 /nfs/dbraw/zinc/86/67/72/1070866772.db2.gz UYSYWZRYKJUMPT-BRSBDYLESA-N 1 1 448.568 0.710 20 0 ICADMO COC(=O)C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C[C@H]1O ZINC001517695153 1070866273 /nfs/dbraw/zinc/86/62/73/1070866273.db2.gz UYSYWZRYKJUMPT-BSDSXHPESA-N 1 1 448.568 0.710 20 0 ICADMO COC(=O)C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C[C@H]1O ZINC001517695155 1070866613 /nfs/dbraw/zinc/86/66/13/1070866613.db2.gz UYSYWZRYKJUMPT-XWTMOSNGSA-N 1 1 448.568 0.710 20 0 ICADMO COC(=O)C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C[C@H]1O ZINC001517695160 1070866577 /nfs/dbraw/zinc/86/65/77/1070866577.db2.gz UYSYWZRYKJUMPT-ZJPYXAASSA-N 1 1 448.568 0.710 20 0 ICADMO COC(=O)C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H]1O ZINC001517696929 1070866421 /nfs/dbraw/zinc/86/64/21/1070866421.db2.gz MRQOPPXZBIXGKW-BRWVUGGUSA-N 1 1 437.541 0.601 20 0 ICADMO COC(=O)C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H]1O ZINC001517696929 1070866396 /nfs/dbraw/zinc/86/63/96/1070866396.db2.gz MRQOPPXZBIXGKW-BRWVUGGUSA-N 1 1 437.541 0.601 20 0 ICADMO COC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001517700230 1070867891 /nfs/dbraw/zinc/86/78/91/1070867891.db2.gz NULWATZATHXLIZ-HNNXBMFYSA-N 1 1 430.513 0.764 20 0 ICADMO COC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001517700233 1070868067 /nfs/dbraw/zinc/86/80/67/1070868067.db2.gz NULWATZATHXLIZ-OAHLLOKOSA-N 1 1 430.513 0.764 20 0 ICADMO COC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001517700309 1070867658 /nfs/dbraw/zinc/86/76/58/1070867658.db2.gz OFPPFHFJNCTGSH-UHFFFAOYSA-N 1 1 449.556 0.515 20 0 ICADMO COC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001517705461 1070868917 /nfs/dbraw/zinc/86/89/17/1070868917.db2.gz XLOMFGYYUQPEDZ-KBPBESRZSA-N 1 1 443.574 0.259 20 0 ICADMO COC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001517705463 1070869610 /nfs/dbraw/zinc/86/96/10/1070869610.db2.gz XLOMFGYYUQPEDZ-KGLIPLIRSA-N 1 1 443.574 0.259 20 0 ICADMO COC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001517705465 1070869187 /nfs/dbraw/zinc/86/91/87/1070869187.db2.gz XLOMFGYYUQPEDZ-UONOGXRCSA-N 1 1 443.574 0.259 20 0 ICADMO COC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001517705466 1070869054 /nfs/dbraw/zinc/86/90/54/1070869054.db2.gz XLOMFGYYUQPEDZ-ZIAGYGMSSA-N 1 1 443.574 0.259 20 0 ICADMO COC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001517706658 1070869534 /nfs/dbraw/zinc/86/95/34/1070869534.db2.gz FYRGNVFUUFFYKJ-UHFFFAOYSA-N 1 1 445.572 0.593 20 0 ICADMO COC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001517706658 1070869513 /nfs/dbraw/zinc/86/95/13/1070869513.db2.gz FYRGNVFUUFFYKJ-UHFFFAOYSA-N 1 1 445.572 0.593 20 0 ICADMO COC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001517706658 1070869491 /nfs/dbraw/zinc/86/94/91/1070869491.db2.gz FYRGNVFUUFFYKJ-UHFFFAOYSA-N 1 1 445.572 0.593 20 0 ICADMO COC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC001517714589 1070870798 /nfs/dbraw/zinc/87/07/98/1070870798.db2.gz GOIOXLTYNQRPTQ-HOTGVXAUSA-N 1 1 449.556 0.617 20 0 ICADMO COC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC001517714591 1070870419 /nfs/dbraw/zinc/87/04/19/1070870419.db2.gz GOIOXLTYNQRPTQ-JKSUJKDBSA-N 1 1 449.556 0.617 20 0 ICADMO COC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCC[N@H+]2CCCO)C[C@@H]1C ZINC001517715731 1070871239 /nfs/dbraw/zinc/87/12/39/1070871239.db2.gz MKYWBBSATCIIFM-BZSNNMDCSA-N 1 1 436.557 0.906 20 0 ICADMO COC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCC[N@H+]2CCCO)C[C@@H]1C ZINC001517715733 1070871439 /nfs/dbraw/zinc/87/14/39/1070871439.db2.gz MKYWBBSATCIIFM-KSZLIROESA-N 1 1 436.557 0.906 20 0 ICADMO COC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCC[N@H+]2CCCO)C[C@@H]1C ZINC001517715735 1070871081 /nfs/dbraw/zinc/87/10/81/1070871081.db2.gz MKYWBBSATCIIFM-OKZBNKHCSA-N 1 1 436.557 0.906 20 0 ICADMO COC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCC[N@H+]2CCCO)C[C@@H]1C ZINC001517715737 1070871578 /nfs/dbraw/zinc/87/15/78/1070871578.db2.gz MKYWBBSATCIIFM-RCCFBDPRSA-N 1 1 436.557 0.906 20 0 ICADMO COC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001517716381 1070871974 /nfs/dbraw/zinc/87/19/74/1070871974.db2.gz MTPVDBVNBLVVQV-BBWFWOEESA-N 1 1 449.556 0.617 20 0 ICADMO COC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001517716383 1070872215 /nfs/dbraw/zinc/87/22/15/1070872215.db2.gz MTPVDBVNBLVVQV-IXDOHACOSA-N 1 1 449.556 0.617 20 0 ICADMO COC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCCC2)CC1 ZINC001517717388 1070871816 /nfs/dbraw/zinc/87/18/16/1070871816.db2.gz PRJHHHUBNQUHOF-INIZCTEOSA-N 1 1 440.570 0.555 20 0 ICADMO COC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCCC2)CC1 ZINC001517717389 1070872103 /nfs/dbraw/zinc/87/21/03/1070872103.db2.gz PRJHHHUBNQUHOF-MRXNPFEDSA-N 1 1 440.570 0.555 20 0 ICADMO COC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001517717400 1070871937 /nfs/dbraw/zinc/87/19/37/1070871937.db2.gz QBYYMVUWFNFZQQ-INIZCTEOSA-N 1 1 442.586 0.799 20 0 ICADMO COC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001517717401 1070872445 /nfs/dbraw/zinc/87/24/45/1070872445.db2.gz QBYYMVUWFNFZQQ-MRXNPFEDSA-N 1 1 442.586 0.799 20 0 ICADMO COC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001517718910 1070873476 /nfs/dbraw/zinc/87/34/76/1070873476.db2.gz WNILBDNXLKHKCJ-DLBZAZTESA-N 1 1 449.556 0.474 20 0 ICADMO COC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001517718912 1070873730 /nfs/dbraw/zinc/87/37/30/1070873730.db2.gz WNILBDNXLKHKCJ-IAGOWNOFSA-N 1 1 449.556 0.474 20 0 ICADMO COC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001517718914 1070873421 /nfs/dbraw/zinc/87/34/21/1070873421.db2.gz WNILBDNXLKHKCJ-IRXDYDNUSA-N 1 1 449.556 0.474 20 0 ICADMO COC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001517718916 1070873836 /nfs/dbraw/zinc/87/38/36/1070873836.db2.gz WNILBDNXLKHKCJ-SJORKVTESA-N 1 1 449.556 0.474 20 0 ICADMO COC(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001517720147 1070874543 /nfs/dbraw/zinc/87/45/43/1070874543.db2.gz SGTKIYZMHCMZDT-IBGZPJMESA-N 1 1 443.552 0.999 20 0 ICADMO COC(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001517720148 1070874096 /nfs/dbraw/zinc/87/40/96/1070874096.db2.gz SGTKIYZMHCMZDT-LJQANCHMSA-N 1 1 443.552 0.999 20 0 ICADMO COC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CCC[NH+]2CCOCC2)CC1 ZINC001517721758 1070874781 /nfs/dbraw/zinc/87/47/81/1070874781.db2.gz WTRIKAFRUISZCZ-UHFFFAOYSA-N 1 1 435.529 0.011 20 0 ICADMO COC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001517730037 1070875673 /nfs/dbraw/zinc/87/56/73/1070875673.db2.gz HMNKLVGIQDWXCP-KRWDZBQOSA-N 1 1 430.557 0.846 20 0 ICADMO COC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001517730041 1070875949 /nfs/dbraw/zinc/87/59/49/1070875949.db2.gz HMNKLVGIQDWXCP-QGZVFWFLSA-N 1 1 430.557 0.846 20 0 ICADMO CO[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001517753641 1070878786 /nfs/dbraw/zinc/87/87/86/1070878786.db2.gz ZBGDPJPIEADVHM-KRWDZBQOSA-N 1 1 430.557 0.995 20 0 ICADMO CO[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001517753642 1070878457 /nfs/dbraw/zinc/87/84/57/1070878457.db2.gz ZBGDPJPIEADVHM-QGZVFWFLSA-N 1 1 430.557 0.995 20 0 ICADMO CO[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001517759096 1070878310 /nfs/dbraw/zinc/87/83/10/1070878310.db2.gz CJLFCIVFZPVGFP-KRWDZBQOSA-N 1 1 430.557 0.848 20 0 ICADMO CO[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001517759096 1070878284 /nfs/dbraw/zinc/87/82/84/1070878284.db2.gz CJLFCIVFZPVGFP-KRWDZBQOSA-N 1 1 430.557 0.848 20 0 ICADMO CO[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001517759097 1070878663 /nfs/dbraw/zinc/87/86/63/1070878663.db2.gz CJLFCIVFZPVGFP-QGZVFWFLSA-N 1 1 430.557 0.848 20 0 ICADMO CO[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001517759097 1070878637 /nfs/dbraw/zinc/87/86/37/1070878637.db2.gz CJLFCIVFZPVGFP-QGZVFWFLSA-N 1 1 430.557 0.848 20 0 ICADMO COC(=O)c1cccn(CC(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)c1=O ZINC001517759608 1070878591 /nfs/dbraw/zinc/87/85/91/1070878591.db2.gz MJOPZJWHEWPQKV-UHFFFAOYSA-N 1 1 426.473 0.590 20 0 ICADMO CO[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001517768355 1070880039 /nfs/dbraw/zinc/88/00/39/1070880039.db2.gz CUPIDOYCRJXCNF-KRWDZBQOSA-N 1 1 430.557 0.881 20 0 ICADMO CO[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001517768356 1070879826 /nfs/dbraw/zinc/87/98/26/1070879826.db2.gz CUPIDOYCRJXCNF-QGZVFWFLSA-N 1 1 430.557 0.881 20 0 ICADMO CO[C@H](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)C(F)(F)F ZINC001517801099 1070883130 /nfs/dbraw/zinc/88/31/30/1070883130.db2.gz HTIDCSADXDGMOB-BFHYXJOUSA-N 1 1 432.447 0.717 20 0 ICADMO CO[C@H](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)C(F)(F)F ZINC001517801099 1070883108 /nfs/dbraw/zinc/88/31/08/1070883108.db2.gz HTIDCSADXDGMOB-BFHYXJOUSA-N 1 1 432.447 0.717 20 0 ICADMO CO[C@H](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)C(F)(F)F ZINC001517801100 1070882998 /nfs/dbraw/zinc/88/29/98/1070882998.db2.gz HTIDCSADXDGMOB-HZSPNIEDSA-N 1 1 432.447 0.717 20 0 ICADMO CO[C@H](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)C(F)(F)F ZINC001517801100 1070882967 /nfs/dbraw/zinc/88/29/67/1070882967.db2.gz HTIDCSADXDGMOB-HZSPNIEDSA-N 1 1 432.447 0.717 20 0 ICADMO CO[C@H](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)C(F)(F)F ZINC001517801101 1070883445 /nfs/dbraw/zinc/88/34/45/1070883445.db2.gz HTIDCSADXDGMOB-MELADBBJSA-N 1 1 432.447 0.717 20 0 ICADMO CO[C@H](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)C(F)(F)F ZINC001517801101 1070883430 /nfs/dbraw/zinc/88/34/30/1070883430.db2.gz HTIDCSADXDGMOB-MELADBBJSA-N 1 1 432.447 0.717 20 0 ICADMO CO[C@H](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)C(F)(F)F ZINC001517801102 1070883337 /nfs/dbraw/zinc/88/33/37/1070883337.db2.gz HTIDCSADXDGMOB-MGPQQGTHSA-N 1 1 432.447 0.717 20 0 ICADMO CO[C@H](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)C(F)(F)F ZINC001517801102 1070883315 /nfs/dbraw/zinc/88/33/15/1070883315.db2.gz HTIDCSADXDGMOB-MGPQQGTHSA-N 1 1 432.447 0.717 20 0 ICADMO CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@H]2C1)C(C)C ZINC001517816556 1070885285 /nfs/dbraw/zinc/88/52/85/1070885285.db2.gz VHEDZYBSVFMTJW-ARFHVFGLSA-N 1 1 430.575 0.080 20 0 ICADMO CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)C(C)C ZINC001517816556 1070885258 /nfs/dbraw/zinc/88/52/58/1070885258.db2.gz VHEDZYBSVFMTJW-ARFHVFGLSA-N 1 1 430.575 0.080 20 0 ICADMO CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@H]2C1)C(C)C ZINC001517816559 1070885463 /nfs/dbraw/zinc/88/54/63/1070885463.db2.gz VHEDZYBSVFMTJW-BZUAXINKSA-N 1 1 430.575 0.080 20 0 ICADMO CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)C(C)C ZINC001517816559 1070885441 /nfs/dbraw/zinc/88/54/41/1070885441.db2.gz VHEDZYBSVFMTJW-BZUAXINKSA-N 1 1 430.575 0.080 20 0 ICADMO CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)C(C)C ZINC001517816562 1070885616 /nfs/dbraw/zinc/88/56/16/1070885616.db2.gz VHEDZYBSVFMTJW-HRCADAONSA-N 1 1 430.575 0.080 20 0 ICADMO CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)C(C)C ZINC001517816562 1070885590 /nfs/dbraw/zinc/88/55/90/1070885590.db2.gz VHEDZYBSVFMTJW-HRCADAONSA-N 1 1 430.575 0.080 20 0 ICADMO CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)C(C)C ZINC001517816569 1070885151 /nfs/dbraw/zinc/88/51/51/1070885151.db2.gz VHEDZYBSVFMTJW-OWCLPIDISA-N 1 1 430.575 0.080 20 0 ICADMO CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)C(C)C ZINC001517816569 1070885124 /nfs/dbraw/zinc/88/51/24/1070885124.db2.gz VHEDZYBSVFMTJW-OWCLPIDISA-N 1 1 430.575 0.080 20 0 ICADMO COC1(C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001517909071 1070893311 /nfs/dbraw/zinc/89/33/11/1070893311.db2.gz ZHPLIMANOAEZSA-OWCLPIDISA-N 1 1 444.602 0.613 20 0 ICADMO COC1(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001517909074 1070892833 /nfs/dbraw/zinc/89/28/33/1070892833.db2.gz ZHPLIMANOAEZSA-XHSDSOJGSA-N 1 1 444.602 0.613 20 0 ICADMO CO[C@@]1(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](C[NH+]3CCOCC3)C2)CCOC1 ZINC001517926816 1070896276 /nfs/dbraw/zinc/89/62/76/1070896276.db2.gz SDQFSLOINXYPBX-DYESRHJHSA-N 1 1 436.557 0.380 20 0 ICADMO CO[C@@]1(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](C[NH+]3CCOCC3)C2)CCOC1 ZINC001517926817 1070895945 /nfs/dbraw/zinc/89/59/45/1070895945.db2.gz SDQFSLOINXYPBX-LAUBAEHRSA-N 1 1 436.557 0.380 20 0 ICADMO CO[C@]1(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](C[NH+]3CCOCC3)C2)CCOC1 ZINC001517926818 1070896104 /nfs/dbraw/zinc/89/61/04/1070896104.db2.gz SDQFSLOINXYPBX-UTKZUKDTSA-N 1 1 436.557 0.380 20 0 ICADMO CO[C@]1(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](C[NH+]3CCOCC3)C2)CCOC1 ZINC001517926819 1070895860 /nfs/dbraw/zinc/89/58/60/1070895860.db2.gz SDQFSLOINXYPBX-UWJYYQICSA-N 1 1 436.557 0.380 20 0 ICADMO COc1cc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@@H+](C)C2)cc(OC)c1 ZINC001517991756 1070900564 /nfs/dbraw/zinc/90/05/64/1070900564.db2.gz PTPKKERWSAFAHX-AVRDEDQJSA-N 1 1 444.536 0.949 20 0 ICADMO COc1cc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@@H+](C)C2)cc(OC)c1 ZINC001517991757 1070900490 /nfs/dbraw/zinc/90/04/90/1070900490.db2.gz PTPKKERWSAFAHX-GCJKJVERSA-N 1 1 444.536 0.949 20 0 ICADMO COc1cc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc(OC)c1 ZINC001517991759 1070900449 /nfs/dbraw/zinc/90/04/49/1070900449.db2.gz PTPKKERWSAFAHX-PGRDOPGGSA-N 1 1 444.536 0.949 20 0 ICADMO COc1cc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc(OC)c1 ZINC001517991761 1070900443 /nfs/dbraw/zinc/90/04/43/1070900443.db2.gz PTPKKERWSAFAHX-XMSQKQJNSA-N 1 1 444.536 0.949 20 0 ICADMO COc1cc(Cl)ccc1-c1nnc(N2CC[C@H](C(N)=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001518011880 1070901070 /nfs/dbraw/zinc/90/10/70/1070901070.db2.gz ATVZBWWBDRPHGB-RBZFPXEDSA-N 1 1 434.928 0.985 20 0 ICADMO COc1cc(Cl)ccc1-c1nnc(N2CC[C@H](C(N)=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001518011883 1070901021 /nfs/dbraw/zinc/90/10/21/1070901021.db2.gz ATVZBWWBDRPHGB-RNODOKPDSA-N 1 1 434.928 0.985 20 0 ICADMO COc1cc(Cl)ccc1-c1nnc(N2CC[C@@H](C(N)=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001518011887 1070901098 /nfs/dbraw/zinc/90/10/98/1070901098.db2.gz ATVZBWWBDRPHGB-XCLFUZPHSA-N 1 1 434.928 0.985 20 0 ICADMO COc1cc(Cl)ccc1-c1nnc(N2CC[C@@H](C(N)=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001518011890 1070901041 /nfs/dbraw/zinc/90/10/41/1070901041.db2.gz ATVZBWWBDRPHGB-ZUOKHONESA-N 1 1 434.928 0.985 20 0 ICADMO COc1cc(OC)cc(-c2nnc(N3CCOCC3)n2CC[NH+]2CCN(C(C)=O)CC2)c1 ZINC001518051823 1070902029 /nfs/dbraw/zinc/90/20/29/1070902029.db2.gz HXBRPGGDGWLUMO-UHFFFAOYSA-N 1 1 444.536 0.963 20 0 ICADMO COc1cc(OC)cc(-c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CCC(=O)N(C)C)c1 ZINC001518053320 1070902615 /nfs/dbraw/zinc/90/26/15/1070902615.db2.gz MFCAIUAOAJHTMF-KRWDZBQOSA-N 1 1 444.536 0.961 20 0 ICADMO COc1cc(OC)cc(-c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CCC(=O)N(C)C)c1 ZINC001518053320 1070902613 /nfs/dbraw/zinc/90/26/13/1070902613.db2.gz MFCAIUAOAJHTMF-KRWDZBQOSA-N 1 1 444.536 0.961 20 0 ICADMO COc1cc(OC)cc(-c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCC(=O)N(C)C)c1 ZINC001518053324 1070902648 /nfs/dbraw/zinc/90/26/48/1070902648.db2.gz MFCAIUAOAJHTMF-QGZVFWFLSA-N 1 1 444.536 0.961 20 0 ICADMO COc1cc(OC)cc(-c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCC(=O)N(C)C)c1 ZINC001518053324 1070902645 /nfs/dbraw/zinc/90/26/45/1070902645.db2.gz MFCAIUAOAJHTMF-QGZVFWFLSA-N 1 1 444.536 0.961 20 0 ICADMO COc1ccc(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001518090812 1070902457 /nfs/dbraw/zinc/90/24/57/1070902457.db2.gz RESHWBGBQVHQJF-INIZCTEOSA-N 1 1 443.552 0.818 20 0 ICADMO COc1ccc(-c2nnc(N(C)[C@H](C)CC(N)=O)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001518090814 1070902537 /nfs/dbraw/zinc/90/25/37/1070902537.db2.gz RESHWBGBQVHQJF-MRXNPFEDSA-N 1 1 443.552 0.818 20 0 ICADMO COc1ccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001518092887 1070902592 /nfs/dbraw/zinc/90/25/92/1070902592.db2.gz YNFKMTMFSYTWCJ-FOIQADDNSA-N 1 1 437.566 0.890 20 0 ICADMO COc1ccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001518092890 1070902656 /nfs/dbraw/zinc/90/26/56/1070902656.db2.gz YNFKMTMFSYTWCJ-MGPUTAFESA-N 1 1 437.566 0.890 20 0 ICADMO COc1ccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001518092894 1070902563 /nfs/dbraw/zinc/90/25/63/1070902563.db2.gz YNFKMTMFSYTWCJ-QRWLVFNGSA-N 1 1 437.566 0.890 20 0 ICADMO COc1ccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001518092897 1070903176 /nfs/dbraw/zinc/90/31/76/1070903176.db2.gz YNFKMTMFSYTWCJ-YWZLYKJASA-N 1 1 437.566 0.890 20 0 ICADMO COc1ccc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001518124148 1070903070 /nfs/dbraw/zinc/90/30/70/1070903070.db2.gz MZKPQAGXSYDUOB-IVZQSRNASA-N 1 1 444.536 0.696 20 0 ICADMO COc1ccc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001518124149 1070903145 /nfs/dbraw/zinc/90/31/45/1070903145.db2.gz MZKPQAGXSYDUOB-NYHFZMIOSA-N 1 1 444.536 0.696 20 0 ICADMO COc1ccc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001518124150 1070903162 /nfs/dbraw/zinc/90/31/62/1070903162.db2.gz MZKPQAGXSYDUOB-OYHNWAKOSA-N 1 1 444.536 0.696 20 0 ICADMO COc1ccc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001518124151 1070903051 /nfs/dbraw/zinc/90/30/51/1070903051.db2.gz MZKPQAGXSYDUOB-QRQCRPRQSA-N 1 1 444.536 0.696 20 0 ICADMO COc1ccc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001518131712 1070903601 /nfs/dbraw/zinc/90/36/01/1070903601.db2.gz KZCOLGHSBSZYJI-FCHUYYIVSA-N 1 1 444.536 0.731 20 0 ICADMO COc1ccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001518131714 1070903651 /nfs/dbraw/zinc/90/36/51/1070903651.db2.gz KZCOLGHSBSZYJI-FGZHOGPDSA-N 1 1 444.536 0.731 20 0 ICADMO COc1ccc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001518131716 1070903639 /nfs/dbraw/zinc/90/36/39/1070903639.db2.gz KZCOLGHSBSZYJI-VXKWHMMOSA-N 1 1 444.536 0.731 20 0 ICADMO COc1ccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001518131717 1070904045 /nfs/dbraw/zinc/90/40/45/1070904045.db2.gz KZCOLGHSBSZYJI-YADHBBJMSA-N 1 1 444.536 0.731 20 0 ICADMO COc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCC[NH+]2CCOCC2)c(OC)c1 ZINC001518131823 1070904099 /nfs/dbraw/zinc/90/40/99/1070904099.db2.gz LXIITQNNLRSNQO-INIZCTEOSA-N 1 1 444.536 0.996 20 0 ICADMO COc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCC[NH+]2CCOCC2)c(OC)c1 ZINC001518131825 1070904180 /nfs/dbraw/zinc/90/41/80/1070904180.db2.gz LXIITQNNLRSNQO-MRXNPFEDSA-N 1 1 444.536 0.996 20 0 ICADMO COc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CC[N@H+]2CCOC[C@@H]2C)cc1OC ZINC001518132893 1070904133 /nfs/dbraw/zinc/90/41/33/1070904133.db2.gz UKCLNOLBRSRLNZ-DOTOQJQBSA-N 1 1 444.536 0.995 20 0 ICADMO COc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1OC ZINC001518132893 1070904129 /nfs/dbraw/zinc/90/41/29/1070904129.db2.gz UKCLNOLBRSRLNZ-DOTOQJQBSA-N 1 1 444.536 0.995 20 0 ICADMO COc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CC[N@H+]2CCOC[C@H]2C)cc1OC ZINC001518132895 1070904029 /nfs/dbraw/zinc/90/40/29/1070904029.db2.gz UKCLNOLBRSRLNZ-NVXWUHKLSA-N 1 1 444.536 0.995 20 0 ICADMO COc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CC[N@@H+]2CCOC[C@H]2C)cc1OC ZINC001518132895 1070904026 /nfs/dbraw/zinc/90/40/26/1070904026.db2.gz UKCLNOLBRSRLNZ-NVXWUHKLSA-N 1 1 444.536 0.995 20 0 ICADMO COc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CC[N@H+]2CCOC[C@@H]2C)cc1OC ZINC001518132897 1070904208 /nfs/dbraw/zinc/90/42/08/1070904208.db2.gz UKCLNOLBRSRLNZ-RDJZCZTQSA-N 1 1 444.536 0.995 20 0 ICADMO COc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1OC ZINC001518132897 1070904206 /nfs/dbraw/zinc/90/42/06/1070904206.db2.gz UKCLNOLBRSRLNZ-RDJZCZTQSA-N 1 1 444.536 0.995 20 0 ICADMO COc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CC[N@H+]2CCOC[C@H]2C)cc1OC ZINC001518132899 1070904145 /nfs/dbraw/zinc/90/41/45/1070904145.db2.gz UKCLNOLBRSRLNZ-WBVHZDCISA-N 1 1 444.536 0.995 20 0 ICADMO COc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CC[N@@H+]2CCOC[C@H]2C)cc1OC ZINC001518132899 1070904143 /nfs/dbraw/zinc/90/41/43/1070904143.db2.gz UKCLNOLBRSRLNZ-WBVHZDCISA-N 1 1 444.536 0.995 20 0 ICADMO COc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001518154726 1070904714 /nfs/dbraw/zinc/90/47/14/1070904714.db2.gz FNAGXAQOFDKSFV-AOMKIAJQSA-N 1 1 444.536 0.731 20 0 ICADMO COc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001518154728 1070904792 /nfs/dbraw/zinc/90/47/92/1070904792.db2.gz FNAGXAQOFDKSFV-KSFYIVLOSA-N 1 1 444.536 0.731 20 0 ICADMO COc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2CCC[NH+]2CCOCC2)c(OC)c1 ZINC001518162597 1070904638 /nfs/dbraw/zinc/90/46/38/1070904638.db2.gz DXYOMFZJCMAMGU-UHFFFAOYSA-N 1 1 444.536 0.963 20 0 ICADMO COc1ccc(-c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CCOCCCO)c(OC)c1 ZINC001518166866 1070905815 /nfs/dbraw/zinc/90/58/15/1070905815.db2.gz JEEMPGODMCCETN-KRWDZBQOSA-N 1 1 447.536 0.882 20 0 ICADMO COc1ccc(-c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CCOCCCO)c(OC)c1 ZINC001518166866 1070905812 /nfs/dbraw/zinc/90/58/12/1070905812.db2.gz JEEMPGODMCCETN-KRWDZBQOSA-N 1 1 447.536 0.882 20 0 ICADMO COc1ccc(-c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCOCCCO)c(OC)c1 ZINC001518166871 1070906432 /nfs/dbraw/zinc/90/64/32/1070906432.db2.gz JEEMPGODMCCETN-QGZVFWFLSA-N 1 1 447.536 0.882 20 0 ICADMO COc1ccc(-c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCOCCCO)c(OC)c1 ZINC001518166871 1070906430 /nfs/dbraw/zinc/90/64/30/1070906430.db2.gz JEEMPGODMCCETN-QGZVFWFLSA-N 1 1 447.536 0.882 20 0 ICADMO COc1ccc(-c2nnc(N3CCO[C@H](CNC(C)=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001518167640 1070906332 /nfs/dbraw/zinc/90/63/32/1070906332.db2.gz OXJPUCXGCRBVQY-DENIHFKCSA-N 1 1 444.536 0.362 20 0 ICADMO COc1ccc(-c2nnc(N3CCO[C@H](CNC(C)=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001518167643 1070906378 /nfs/dbraw/zinc/90/63/78/1070906378.db2.gz OXJPUCXGCRBVQY-KNQAVFIVSA-N 1 1 444.536 0.362 20 0 ICADMO COc1ccc(-c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001518167647 1070906317 /nfs/dbraw/zinc/90/63/17/1070906317.db2.gz OXJPUCXGCRBVQY-SIKLNZKXSA-N 1 1 444.536 0.362 20 0 ICADMO COc1ccc(-c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001518167651 1070906470 /nfs/dbraw/zinc/90/64/70/1070906470.db2.gz OXJPUCXGCRBVQY-UGKGYDQZSA-N 1 1 444.536 0.362 20 0 ICADMO COc1ccc(-c2nnc(N3CCNC(=O)C3)n2CCC[NH+]2CCOCC2)c(OC)c1 ZINC001518168420 1070906419 /nfs/dbraw/zinc/90/64/19/1070906419.db2.gz PNEMAEQGZSZOMS-UHFFFAOYSA-N 1 1 430.509 0.621 20 0 ICADMO COc1ccc(CCc2nnc(N(C)[C@@H](C)CC(N)=O)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001518196104 1070906932 /nfs/dbraw/zinc/90/69/32/1070906932.db2.gz DYESKAMOVOICJD-AOMKIAJQSA-N 1 1 430.553 0.839 20 0 ICADMO COc1ccc(CCc2nnc(N(C)[C@@H](C)CC(N)=O)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001518196108 1070906849 /nfs/dbraw/zinc/90/68/49/1070906849.db2.gz DYESKAMOVOICJD-KSFYIVLOSA-N 1 1 430.553 0.839 20 0 ICADMO COc1ccc(CCc2nnc(N(C)[C@H](C)CC(N)=O)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001518196110 1070906958 /nfs/dbraw/zinc/90/69/58/1070906958.db2.gz DYESKAMOVOICJD-OPAMFIHVSA-N 1 1 430.553 0.839 20 0 ICADMO COc1ccc(CCc2nnc(N(C)[C@H](C)CC(N)=O)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001518196111 1070907481 /nfs/dbraw/zinc/90/74/81/1070907481.db2.gz DYESKAMOVOICJD-ZHRRBRCNSA-N 1 1 430.553 0.839 20 0 ICADMO COc1ccc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@@H+](C)C2)c(OC)c1 ZINC001518239223 1070908537 /nfs/dbraw/zinc/90/85/37/1070908537.db2.gz BVSPNBJDRYDPGT-HTAPYJJXSA-N 1 1 444.536 0.949 20 0 ICADMO COc1ccc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@@H+](C)C2)c(OC)c1 ZINC001518239229 1070908515 /nfs/dbraw/zinc/90/85/15/1070908515.db2.gz BVSPNBJDRYDPGT-JTSKRJEESA-N 1 1 444.536 0.949 20 0 ICADMO COc1ccc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@@H+](C)C2)c(OC)c1 ZINC001518239233 1070908483 /nfs/dbraw/zinc/90/84/83/1070908483.db2.gz BVSPNBJDRYDPGT-VGOFRKELSA-N 1 1 444.536 0.949 20 0 ICADMO COc1ccc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@@H+](C)C2)c(OC)c1 ZINC001518239237 1070908502 /nfs/dbraw/zinc/90/85/02/1070908502.db2.gz BVSPNBJDRYDPGT-VGSWGCGISA-N 1 1 444.536 0.949 20 0 ICADMO COc1ccc(OCc2nnc(N3CCN(C(C)=O)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001518326429 1070912609 /nfs/dbraw/zinc/91/26/09/1070912609.db2.gz JAEAWBMDNBMDBN-JOCHJYFZSA-N 1 1 444.536 0.601 20 0 ICADMO COc1ccc(OCc2nnc(N3CCN(C(C)=O)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001518326430 1070912641 /nfs/dbraw/zinc/91/26/41/1070912641.db2.gz JAEAWBMDNBMDBN-QFIPXVFZSA-N 1 1 444.536 0.601 20 0 ICADMO COc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2CCC[NH+]2CCOCC2)cc1 ZINC001518330620 1070913293 /nfs/dbraw/zinc/91/32/93/1070913293.db2.gz RCUCHAZVTUZZIH-UHFFFAOYSA-N 1 1 444.536 0.866 20 0 ICADMO COc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001518331112 1070913197 /nfs/dbraw/zinc/91/31/97/1070913197.db2.gz ULEWMHAIGKSBIK-AOMKIAJQSA-N 1 1 444.536 0.599 20 0 ICADMO COc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001518331116 1070913208 /nfs/dbraw/zinc/91/32/08/1070913208.db2.gz ULEWMHAIGKSBIK-KSFYIVLOSA-N 1 1 444.536 0.599 20 0 ICADMO COc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001518331122 1070913335 /nfs/dbraw/zinc/91/33/35/1070913335.db2.gz ULEWMHAIGKSBIK-OPAMFIHVSA-N 1 1 444.536 0.599 20 0 ICADMO COc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001518331126 1070913322 /nfs/dbraw/zinc/91/33/22/1070913322.db2.gz ULEWMHAIGKSBIK-ZHRRBRCNSA-N 1 1 444.536 0.599 20 0 ICADMO COc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC001518336102 1070913729 /nfs/dbraw/zinc/91/37/29/1070913729.db2.gz NKFCSSBVBDLSQS-KRWDZBQOSA-N 1 1 444.536 0.649 20 0 ICADMO COc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC001518336103 1070913805 /nfs/dbraw/zinc/91/38/05/1070913805.db2.gz NKFCSSBVBDLSQS-QGZVFWFLSA-N 1 1 444.536 0.649 20 0 ICADMO COc1ccc(OCc2nnc(N3C[C@@H](OC)[C@@H](OC)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001518337709 1070913746 /nfs/dbraw/zinc/91/37/46/1070913746.db2.gz SWAHKOQCIWVWIK-JQVVWYNYSA-N 1 1 447.536 0.782 20 0 ICADMO COc1ccc(OCc2nnc(N3C[C@@H](OC)[C@@H](OC)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001518337713 1070913753 /nfs/dbraw/zinc/91/37/53/1070913753.db2.gz SWAHKOQCIWVWIK-XQBPLPMBSA-N 1 1 447.536 0.782 20 0 ICADMO COc1cccc(-c2nnc(N(C)CCN3CCOCC3)n2C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001518363555 1070914910 /nfs/dbraw/zinc/91/49/10/1070914910.db2.gz YQJVTMAEMZIJAR-JOCHJYFZSA-N 1 1 430.553 0.789 20 0 ICADMO COc1cccc(-c2nnc(N(C)CCN3CCOCC3)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001518363557 1070914821 /nfs/dbraw/zinc/91/48/21/1070914821.db2.gz YQJVTMAEMZIJAR-QFIPXVFZSA-N 1 1 430.553 0.789 20 0 ICADMO COc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001518375001 1070915326 /nfs/dbraw/zinc/91/53/26/1070915326.db2.gz KBMASCUANUUUDN-JOCHJYFZSA-N 1 1 444.536 0.491 20 0 ICADMO COc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001518375003 1070915481 /nfs/dbraw/zinc/91/54/81/1070915481.db2.gz KBMASCUANUUUDN-QFIPXVFZSA-N 1 1 444.536 0.491 20 0 ICADMO COc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CC[NH+]2CCN(C(C)=O)CC2)c1 ZINC001518382103 1070916012 /nfs/dbraw/zinc/91/60/12/1070916012.db2.gz OBUCPCXXQVGTHF-UHFFFAOYSA-N 1 1 441.536 0.444 20 0 ICADMO COc1cccc(OCCN2CCN(c3nnc(C)n3C[C@@]3(O)CC[N@@H+](C)C3)CC2)c1 ZINC001518415738 1070917586 /nfs/dbraw/zinc/91/75/86/1070917586.db2.gz ZOMDJTRPALZKTC-JOCHJYFZSA-N 1 1 430.553 0.863 20 0 ICADMO COc1cccc(OCCN2CCN(c3nnc(C)n3C[C@]3(O)CC[N@@H+](C)C3)CC2)c1 ZINC001518415749 1070917495 /nfs/dbraw/zinc/91/74/95/1070917495.db2.gz ZOMDJTRPALZKTC-QFIPXVFZSA-N 1 1 430.553 0.863 20 0 ICADMO 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COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(C)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001519230340 1071039275 /nfs/dbraw/zinc/03/92/75/1071039275.db2.gz ADRALDJMTMNTNB-MJGOQNOKSA-N 1 1 435.617 0.980 20 0 ICADMO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001519230342 1071039591 /nfs/dbraw/zinc/03/95/91/1071039591.db2.gz ADRALDJMTMNTNB-PKOBYXMFSA-N 1 1 435.617 0.980 20 0 ICADMO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001519230342 1071039583 /nfs/dbraw/zinc/03/95/83/1071039583.db2.gz ADRALDJMTMNTNB-PKOBYXMFSA-N 1 1 435.617 0.980 20 0 ICADMO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001519230342 1071039575 /nfs/dbraw/zinc/03/95/75/1071039575.db2.gz ADRALDJMTMNTNB-PKOBYXMFSA-N 1 1 435.617 0.980 20 0 ICADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C(N)=O)nc2)C[C@H]1C ZINC001519231004 1071039981 /nfs/dbraw/zinc/03/99/81/1071039981.db2.gz ZELCOLHXQSSJEL-CRAIPNDOSA-N 1 1 429.525 0.829 20 0 ICADMO 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COCCNC(=O)C1CCN(c2nnc(C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001519237140 1071041223 /nfs/dbraw/zinc/04/12/23/1071041223.db2.gz LBHOXXDXJWUQGK-IBGZPJMESA-N 1 1 449.600 0.508 20 0 ICADMO COCCNC(=O)C1CCN(c2nnc(C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001519237142 1071040972 /nfs/dbraw/zinc/04/09/72/1071040972.db2.gz LBHOXXDXJWUQGK-LJQANCHMSA-N 1 1 449.600 0.508 20 0 ICADMO COCCNC(=O)CN1CCN(c2nnc(C)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001519237953 1071041538 /nfs/dbraw/zinc/04/15/38/1071041538.db2.gz BHWXIFGQVFPHAY-FQEVSTJZSA-N 1 1 435.617 0.839 20 0 ICADMO COCCNC(=O)CN1CCN(c2nnc(C)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001519237955 1071041632 /nfs/dbraw/zinc/04/16/32/1071041632.db2.gz BHWXIFGQVFPHAY-HXUWFJFHSA-N 1 1 435.617 0.839 20 0 ICADMO COCCNC(=O)CN1CCN(c2nnc(C)n2CC[N@H+]2CCc3sccc3C2)CC1 ZINC001519240667 1071043146 /nfs/dbraw/zinc/04/31/46/1071043146.db2.gz QDLGBHUSVVUWEY-UHFFFAOYSA-N 1 1 447.609 0.591 20 0 ICADMO COCCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 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LLKBGPDSMPZJBV-SJLPKXTDSA-N 1 1 432.525 0.975 20 0 ICADMO COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1Cc1ccc(OC)nc1 ZINC001519328024 1071056791 /nfs/dbraw/zinc/05/67/91/1071056791.db2.gz LLKBGPDSMPZJBV-SJLPKXTDSA-N 1 1 432.525 0.975 20 0 ICADMO COCCO[C@@H](C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1Cc1ccc(OC)nc1 ZINC001519328026 1071057119 /nfs/dbraw/zinc/05/71/19/1071057119.db2.gz LLKBGPDSMPZJBV-WMZOPIPTSA-N 1 1 432.525 0.975 20 0 ICADMO COCCO[C@@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1Cc1ccc(OC)nc1 ZINC001519328026 1071057111 /nfs/dbraw/zinc/05/71/11/1071057111.db2.gz LLKBGPDSMPZJBV-WMZOPIPTSA-N 1 1 432.525 0.975 20 0 ICADMO COCCO[C@@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001519328351 1071057002 /nfs/dbraw/zinc/05/70/02/1071057002.db2.gz KHGWIIMAQKCNPO-KSZLIROESA-N 1 1 436.557 0.582 20 0 ICADMO COCCO[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001519328352 1071057134 /nfs/dbraw/zinc/05/71/34/1071057134.db2.gz KHGWIIMAQKCNPO-KURKYZTESA-N 1 1 436.557 0.582 20 0 ICADMO COCCO[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001519328353 1071056972 /nfs/dbraw/zinc/05/69/72/1071056972.db2.gz KHGWIIMAQKCNPO-KZNAEPCWSA-N 1 1 436.557 0.582 20 0 ICADMO COCCO[C@@H](C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001519328354 1071056890 /nfs/dbraw/zinc/05/68/90/1071056890.db2.gz KHGWIIMAQKCNPO-RCCFBDPRSA-N 1 1 436.557 0.582 20 0 ICADMO COCCO[C@@H](C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCCN1CCOC1=O ZINC001519330929 1071057662 /nfs/dbraw/zinc/05/76/62/1071057662.db2.gz UEUQEYGPCAJRDD-DLBZAZTESA-N 1 1 438.529 0.365 20 0 ICADMO COCCO[C@@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCCN1CCOC1=O ZINC001519330929 1071057651 /nfs/dbraw/zinc/05/76/51/1071057651.db2.gz UEUQEYGPCAJRDD-DLBZAZTESA-N 1 1 438.529 0.365 20 0 ICADMO COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCCN1CCOC1=O ZINC001519330930 1071057688 /nfs/dbraw/zinc/05/76/88/1071057688.db2.gz UEUQEYGPCAJRDD-IAGOWNOFSA-N 1 1 438.529 0.365 20 0 ICADMO COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCCN1CCOC1=O ZINC001519330930 1071057678 /nfs/dbraw/zinc/05/76/78/1071057678.db2.gz UEUQEYGPCAJRDD-IAGOWNOFSA-N 1 1 438.529 0.365 20 0 ICADMO COCCO[C@@H](C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCCN1CCOC1=O ZINC001519330934 1071057713 /nfs/dbraw/zinc/05/77/13/1071057713.db2.gz UEUQEYGPCAJRDD-IRXDYDNUSA-N 1 1 438.529 0.365 20 0 ICADMO COCCO[C@@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCCN1CCOC1=O ZINC001519330934 1071057708 /nfs/dbraw/zinc/05/77/08/1071057708.db2.gz UEUQEYGPCAJRDD-IRXDYDNUSA-N 1 1 438.529 0.365 20 0 ICADMO COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCCN1CCOC1=O ZINC001519330938 1071057551 /nfs/dbraw/zinc/05/75/51/1071057551.db2.gz UEUQEYGPCAJRDD-SJORKVTESA-N 1 1 438.529 0.365 20 0 ICADMO COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCCN1CCOC1=O ZINC001519330938 1071057540 /nfs/dbraw/zinc/05/75/40/1071057540.db2.gz UEUQEYGPCAJRDD-SJORKVTESA-N 1 1 438.529 0.365 20 0 ICADMO COCCO[C@@H](C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC1(C(N)=O)CCCC1 ZINC001519332338 1071058702 /nfs/dbraw/zinc/05/87/02/1071058702.db2.gz YWUXFHRLDQABMV-DLBZAZTESA-N 1 1 436.557 0.569 20 0 ICADMO COCCO[C@@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC1(C(N)=O)CCCC1 ZINC001519332338 1071058699 /nfs/dbraw/zinc/05/86/99/1071058699.db2.gz YWUXFHRLDQABMV-DLBZAZTESA-N 1 1 436.557 0.569 20 0 ICADMO COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC1(C(N)=O)CCCC1 ZINC001519332339 1071058850 /nfs/dbraw/zinc/05/88/50/1071058850.db2.gz YWUXFHRLDQABMV-IAGOWNOFSA-N 1 1 436.557 0.569 20 0 ICADMO COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC1(C(N)=O)CCCC1 ZINC001519332339 1071058841 /nfs/dbraw/zinc/05/88/41/1071058841.db2.gz YWUXFHRLDQABMV-IAGOWNOFSA-N 1 1 436.557 0.569 20 0 ICADMO COCCO[C@@H](C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC1(C(N)=O)CCCC1 ZINC001519332340 1071058743 /nfs/dbraw/zinc/05/87/43/1071058743.db2.gz YWUXFHRLDQABMV-IRXDYDNUSA-N 1 1 436.557 0.569 20 0 ICADMO COCCO[C@@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC1(C(N)=O)CCCC1 ZINC001519332340 1071058732 /nfs/dbraw/zinc/05/87/32/1071058732.db2.gz YWUXFHRLDQABMV-IRXDYDNUSA-N 1 1 436.557 0.569 20 0 ICADMO COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC1(C(N)=O)CCCC1 ZINC001519332341 1071058628 /nfs/dbraw/zinc/05/86/28/1071058628.db2.gz YWUXFHRLDQABMV-SJORKVTESA-N 1 1 436.557 0.569 20 0 ICADMO COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC1(C(N)=O)CCCC1 ZINC001519332341 1071058619 /nfs/dbraw/zinc/05/86/19/1071058619.db2.gz YWUXFHRLDQABMV-SJORKVTESA-N 1 1 436.557 0.569 20 0 ICADMO COCCO[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCn1cc[nH+]c1C ZINC001519332934 1071059455 /nfs/dbraw/zinc/05/94/55/1071059455.db2.gz ZMETUNMLQSHXMC-HNNXBMFYSA-N 1 1 441.558 0.289 20 0 ICADMO COCCO[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCn1cc[nH+]c1C ZINC001519332935 1071059366 /nfs/dbraw/zinc/05/93/66/1071059366.db2.gz ZMETUNMLQSHXMC-OAHLLOKOSA-N 1 1 441.558 0.289 20 0 ICADMO COCCO[C@@H](C)c1nnc(N2CCOC3(CCOCC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001519333668 1071059899 /nfs/dbraw/zinc/05/98/99/1071059899.db2.gz MJGCNHWOHGPYGR-FXAWDEMLSA-N 1 1 439.557 0.455 20 0 ICADMO COCCO[C@@H](C)c1nnc(N2CCOC3(CCOCC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001519333670 1071060060 /nfs/dbraw/zinc/06/00/60/1071060060.db2.gz MJGCNHWOHGPYGR-PXNSSMCTSA-N 1 1 439.557 0.455 20 0 ICADMO COCCO[C@H](C)c1nnc(N2CCOC3(CCOCC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001519333672 1071060024 /nfs/dbraw/zinc/06/00/24/1071060024.db2.gz MJGCNHWOHGPYGR-XLIONFOSSA-N 1 1 439.557 0.455 20 0 ICADMO COCCO[C@H](C)c1nnc(N2CCOC3(CCOCC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001519333674 1071060237 /nfs/dbraw/zinc/06/02/37/1071060237.db2.gz MJGCNHWOHGPYGR-YLJYHZDGSA-N 1 1 439.557 0.455 20 0 ICADMO COCCO[C@@H](C)c1nnc(N2CCS(=O)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001519336410 1071060801 /nfs/dbraw/zinc/06/08/01/1071060801.db2.gz OWFOOBTVVBVBFL-KRWDZBQOSA-N 1 1 442.630 0.597 20 0 ICADMO COCCO[C@H](C)c1nnc(N2CCS(=O)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001519336411 1071060594 /nfs/dbraw/zinc/06/05/94/1071060594.db2.gz OWFOOBTVVBVBFL-QGZVFWFLSA-N 1 1 442.630 0.597 20 0 ICADMO COCCO[C@H](C)c1nnc(N2CCO[C@]3(CCO[C@@H]3C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001519336865 1071060829 /nfs/dbraw/zinc/06/08/29/1071060829.db2.gz UVVUDMUERMDVDK-DEPWHIHDSA-N 1 1 439.557 0.453 20 0 ICADMO COCCO[C@H](C)c1nnc(N2CCO[C@]3(CCO[C@H]3C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001519336867 1071060680 /nfs/dbraw/zinc/06/06/80/1071060680.db2.gz UVVUDMUERMDVDK-HRQSHJORSA-N 1 1 439.557 0.453 20 0 ICADMO COCCO[C@H](C)c1nnc(N2CCO[C@]3(CCO[C@@H]3C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001519336875 1071060745 /nfs/dbraw/zinc/06/07/45/1071060745.db2.gz UVVUDMUERMDVDK-SGLNWRHMSA-N 1 1 439.557 0.453 20 0 ICADMO COCCO[C@H](C)c1nnc(N2CCO[C@]3(CCO[C@H]3C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001519336877 1071061227 /nfs/dbraw/zinc/06/12/27/1071061227.db2.gz UVVUDMUERMDVDK-SQBLYHGDSA-N 1 1 439.557 0.453 20 0 ICADMO COCCO[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001519359237 1071064203 /nfs/dbraw/zinc/06/42/03/1071064203.db2.gz WUUKWZMCUNVBHV-DYESRHJHSA-N 1 1 436.557 0.213 20 0 ICADMO COCCO[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001519359241 1071063975 /nfs/dbraw/zinc/06/39/75/1071063975.db2.gz WUUKWZMCUNVBHV-LAUBAEHRSA-N 1 1 436.557 0.213 20 0 ICADMO COCCO[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001519359243 1071064070 /nfs/dbraw/zinc/06/40/70/1071064070.db2.gz WUUKWZMCUNVBHV-UTKZUKDTSA-N 1 1 436.557 0.213 20 0 ICADMO COCCO[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001519359245 1071063909 /nfs/dbraw/zinc/06/39/09/1071063909.db2.gz WUUKWZMCUNVBHV-UWJYYQICSA-N 1 1 436.557 0.213 20 0 ICADMO COCCO[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001519370128 1071067094 /nfs/dbraw/zinc/06/70/94/1071067094.db2.gz VSVFJRNDQIUAPS-DENIHFKCSA-N 1 1 430.553 0.962 20 0 ICADMO COCCO[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001519370129 1071067270 /nfs/dbraw/zinc/06/72/70/1071067270.db2.gz VSVFJRNDQIUAPS-KNQAVFIVSA-N 1 1 430.553 0.962 20 0 ICADMO COCCO[C@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001519370130 1071067242 /nfs/dbraw/zinc/06/72/42/1071067242.db2.gz VSVFJRNDQIUAPS-SIKLNZKXSA-N 1 1 430.553 0.962 20 0 ICADMO COCCO[C@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001519370131 1071067148 /nfs/dbraw/zinc/06/71/48/1071067148.db2.gz VSVFJRNDQIUAPS-UGKGYDQZSA-N 1 1 430.553 0.962 20 0 ICADMO COCCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001519371364 1071067039 /nfs/dbraw/zinc/06/70/39/1071067039.db2.gz AYPSOTPPFJXTEN-GOSISDBHSA-N 1 1 444.540 0.141 20 0 ICADMO COCCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001519371365 1071067359 /nfs/dbraw/zinc/06/73/59/1071067359.db2.gz AYPSOTPPFJXTEN-SFHVURJKSA-N 1 1 444.540 0.141 20 0 ICADMO COCCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCC2)C1 ZINC001519378041 1071068373 /nfs/dbraw/zinc/06/83/73/1071068373.db2.gz CMGBUBBGKGUCBN-DLBZAZTESA-N 1 1 427.571 0.518 20 0 ICADMO COCCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCC2)C1 ZINC001519378044 1071068188 /nfs/dbraw/zinc/06/81/88/1071068188.db2.gz CMGBUBBGKGUCBN-IAGOWNOFSA-N 1 1 427.571 0.518 20 0 ICADMO COCCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCC2)C1 ZINC001519378046 1071068295 /nfs/dbraw/zinc/06/82/95/1071068295.db2.gz CMGBUBBGKGUCBN-IRXDYDNUSA-N 1 1 427.571 0.518 20 0 ICADMO COCCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCC2)C1 ZINC001519378048 1071068506 /nfs/dbraw/zinc/06/85/06/1071068506.db2.gz CMGBUBBGKGUCBN-SJORKVTESA-N 1 1 427.571 0.518 20 0 ICADMO COCCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001519382051 1071069397 /nfs/dbraw/zinc/06/93/97/1071069397.db2.gz WSFOIZSAPSUKTO-IBGZPJMESA-N 1 1 443.552 0.746 20 0 ICADMO COCCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001519382052 1071069505 /nfs/dbraw/zinc/06/95/05/1071069505.db2.gz WSFOIZSAPSUKTO-LJQANCHMSA-N 1 1 443.552 0.746 20 0 ICADMO COCCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)C(C)C)C1 ZINC001519385061 1071070745 /nfs/dbraw/zinc/07/07/45/1071070745.db2.gz XVYBPBBNGCLFBG-DLBZAZTESA-N 1 1 429.587 0.762 20 0 ICADMO COCCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)C(C)C)C1 ZINC001519385062 1071070619 /nfs/dbraw/zinc/07/06/19/1071070619.db2.gz XVYBPBBNGCLFBG-IAGOWNOFSA-N 1 1 429.587 0.762 20 0 ICADMO COCCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)C(C)C)C1 ZINC001519385063 1071070875 /nfs/dbraw/zinc/07/08/75/1071070875.db2.gz XVYBPBBNGCLFBG-IRXDYDNUSA-N 1 1 429.587 0.762 20 0 ICADMO COCCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)C(C)C)C1 ZINC001519385065 1071070570 /nfs/dbraw/zinc/07/05/70/1071070570.db2.gz XVYBPBBNGCLFBG-SJORKVTESA-N 1 1 429.587 0.762 20 0 ICADMO COCCOC[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001519388892 1071071526 /nfs/dbraw/zinc/07/15/26/1071071526.db2.gz MYHMXICSDVVSHX-MSOLQXFVSA-N 1 1 431.541 0.945 20 0 ICADMO COCCOC[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001519388894 1071071352 /nfs/dbraw/zinc/07/13/52/1071071352.db2.gz MYHMXICSDVVSHX-QZTJIDSGSA-N 1 1 431.541 0.945 20 0 ICADMO COCCOC[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001519388897 1071071243 /nfs/dbraw/zinc/07/12/43/1071071243.db2.gz MYHMXICSDVVSHX-ROUUACIJSA-N 1 1 431.541 0.945 20 0 ICADMO COCCOC[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001519388899 1071071454 /nfs/dbraw/zinc/07/14/54/1071071454.db2.gz MYHMXICSDVVSHX-ZWKOTPCHSA-N 1 1 431.541 0.945 20 0 ICADMO COCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001519397580 1071072900 /nfs/dbraw/zinc/07/29/00/1071072900.db2.gz JSKNPWCEJHJBLX-HRCADAONSA-N 1 1 430.575 0.224 20 0 ICADMO COCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001519397584 1071072988 /nfs/dbraw/zinc/07/29/88/1071072988.db2.gz JSKNPWCEJHJBLX-JYJNAYRXSA-N 1 1 430.575 0.224 20 0 ICADMO COCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001519397586 1071072589 /nfs/dbraw/zinc/07/25/89/1071072589.db2.gz JSKNPWCEJHJBLX-OWCLPIDISA-N 1 1 430.575 0.224 20 0 ICADMO COCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001519397589 1071073052 /nfs/dbraw/zinc/07/30/52/1071073052.db2.gz JSKNPWCEJHJBLX-PMPSAXMXSA-N 1 1 430.575 0.224 20 0 ICADMO COCCOCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001519400904 1071073412 /nfs/dbraw/zinc/07/34/12/1071073412.db2.gz QLQBJPPBHPIULF-DYESRHJHSA-N 1 1 436.557 0.583 20 0 ICADMO COCCOCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001519400905 1071073624 /nfs/dbraw/zinc/07/36/24/1071073624.db2.gz QLQBJPPBHPIULF-LAUBAEHRSA-N 1 1 436.557 0.583 20 0 ICADMO COCCOCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001519400906 1071073555 /nfs/dbraw/zinc/07/35/55/1071073555.db2.gz QLQBJPPBHPIULF-UTKZUKDTSA-N 1 1 436.557 0.583 20 0 ICADMO COCCOCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001519400907 1071073320 /nfs/dbraw/zinc/07/33/20/1071073320.db2.gz QLQBJPPBHPIULF-UWJYYQICSA-N 1 1 436.557 0.583 20 0 ICADMO COCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001519404422 1071074975 /nfs/dbraw/zinc/07/49/75/1071074975.db2.gz JKERZAARDQEHEU-GOSISDBHSA-N 1 1 446.556 0.338 20 0 ICADMO COCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001519404427 1071074678 /nfs/dbraw/zinc/07/46/78/1071074678.db2.gz JKERZAARDQEHEU-SFHVURJKSA-N 1 1 446.556 0.338 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCCC1 ZINC001519408246 1071075289 /nfs/dbraw/zinc/07/52/89/1071075289.db2.gz VUAJBMZGBFIOAB-BBWFWOEESA-N 1 1 427.571 0.721 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCCC1 ZINC001519408248 1071075390 /nfs/dbraw/zinc/07/53/90/1071075390.db2.gz VUAJBMZGBFIOAB-ULQDDVLXSA-N 1 1 427.571 0.721 20 0 ICADMO COCCOCCn1c(CC2CC2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001519416286 1071077421 /nfs/dbraw/zinc/07/74/21/1071077421.db2.gz XORIGRGVAVTJLN-FXAWDEMLSA-N 1 1 434.585 0.882 20 0 ICADMO COCCOCCn1c(CC2CC2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001519416289 1071077062 /nfs/dbraw/zinc/07/70/62/1071077062.db2.gz XORIGRGVAVTJLN-PXNSSMCTSA-N 1 1 434.585 0.882 20 0 ICADMO COCCOCCn1c(CC2CC2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001519416293 1071077167 /nfs/dbraw/zinc/07/71/67/1071077167.db2.gz XORIGRGVAVTJLN-XLIONFOSSA-N 1 1 434.585 0.882 20 0 ICADMO COCCOCCn1c(CC2CC2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001519416297 1071077096 /nfs/dbraw/zinc/07/70/96/1071077096.db2.gz XORIGRGVAVTJLN-YLJYHZDGSA-N 1 1 434.585 0.882 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCS(C)(=O)=O)n1CCn1cc[nH+]c1C ZINC001519419920 1071078139 /nfs/dbraw/zinc/07/81/39/1071078139.db2.gz QNMSQNLCZKHLAX-HOTGVXAUSA-N 1 1 426.543 0.688 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C(=O)OC)C2)n1CCC[NH+]1CCOCC1 ZINC001519424490 1071078587 /nfs/dbraw/zinc/07/85/87/1071078587.db2.gz AVBBPFBROSHALX-BZSNNMDCSA-N 1 1 437.541 0.724 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C(=O)OC)C2)n1CCC[NH+]1CCOCC1 ZINC001519424491 1071078484 /nfs/dbraw/zinc/07/84/84/1071078484.db2.gz AVBBPFBROSHALX-SQNIBIBYSA-N 1 1 437.541 0.724 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CC[N@@H+](C)C(C)C ZINC001519432345 1071080435 /nfs/dbraw/zinc/08/04/35/1071080435.db2.gz WLIMICBWZOIKNB-BBWFWOEESA-N 1 1 429.587 0.966 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CC[N@@H+](C)C(C)C ZINC001519432347 1071080348 /nfs/dbraw/zinc/08/03/48/1071080348.db2.gz WLIMICBWZOIKNB-ULQDDVLXSA-N 1 1 429.587 0.966 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001519440464 1071081892 /nfs/dbraw/zinc/08/18/92/1071081892.db2.gz CGZCMKWPOLOXIG-CNTRQJEFSA-N 1 1 436.557 0.126 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001519440466 1071081752 /nfs/dbraw/zinc/08/17/52/1071081752.db2.gz CGZCMKWPOLOXIG-DBSRCYSRSA-N 1 1 436.557 0.126 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001519440468 1071081643 /nfs/dbraw/zinc/08/16/43/1071081643.db2.gz CGZCMKWPOLOXIG-NKMKZGIRSA-N 1 1 436.557 0.126 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001519440471 1071081682 /nfs/dbraw/zinc/08/16/82/1071081682.db2.gz CGZCMKWPOLOXIG-QUJKESNLSA-N 1 1 436.557 0.126 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C)C(=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001519443179 1071082521 /nfs/dbraw/zinc/08/25/21/1071082521.db2.gz QRQDBNRUJBXPGR-HKUYNNGSSA-N 1 1 449.600 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20 0 ICADMO C[C@]1(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001537895033 1071515600 /nfs/dbraw/zinc/51/56/00/1071515600.db2.gz KTCSYHVRSRRNJH-UWJYYQICSA-N 1 1 432.546 0.933 20 0 ICADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCCS(=O)(=O)N=S(C)(C)=O)[C@H](c2cnn(C)c2)C1 ZINC001537928259 1071516923 /nfs/dbraw/zinc/51/69/23/1071516923.db2.gz NIOYOCGDNPFVNC-CVEARBPZSA-N 1 1 433.600 0.408 20 0 ICADMO CC(C)[N@H+]1CC[C@H](C(=O)NCCS(=O)(=O)N=S(C)(C)=O)[C@H](c2cnn(C)c2)C1 ZINC001537928260 1071517146 /nfs/dbraw/zinc/51/71/46/1071517146.db2.gz NIOYOCGDNPFVNC-HOTGVXAUSA-N 1 1 433.600 0.408 20 0 ICADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCCS(=O)(=O)N=S(C)(C)=O)[C@@H](c2cnn(C)c2)C1 ZINC001537928261 1071516954 /nfs/dbraw/zinc/51/69/54/1071516954.db2.gz NIOYOCGDNPFVNC-HZPDHXFCSA-N 1 1 433.600 0.408 20 0 ICADMO CC(C)[N@H+]1CC[C@H](C(=O)NCCS(=O)(=O)N=S(C)(C)=O)[C@@H](c2cnn(C)c2)C1 ZINC001537928262 1071517783 /nfs/dbraw/zinc/51/77/83/1071517783.db2.gz NIOYOCGDNPFVNC-JKSUJKDBSA-N 1 1 433.600 0.408 20 0 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JWFXBYHLOVESGX-WIYYLYMNSA-N 1 1 437.562 0.165 20 0 ICADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC001540718970 1071668766 /nfs/dbraw/zinc/66/87/66/1071668766.db2.gz OUOYAGPCNZMGKJ-CYBMUJFWSA-N 1 1 448.998 0.881 20 0 ICADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC001540718971 1071668673 /nfs/dbraw/zinc/66/86/73/1071668673.db2.gz OUOYAGPCNZMGKJ-ZDUSSCGKSA-N 1 1 448.998 0.881 20 0 ICADMO C[C@@H](C(=O)NCCCCN1CC[NH+](C)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001540725483 1071668696 /nfs/dbraw/zinc/66/86/96/1071668696.db2.gz YLFZZSHSBYSSRE-KRWDZBQOSA-N 1 1 425.574 0.598 20 0 ICADMO C[C@H](C(=O)NCCCCN1CC[NH+](C)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001540725484 1071668648 /nfs/dbraw/zinc/66/86/48/1071668648.db2.gz YLFZZSHSBYSSRE-QGZVFWFLSA-N 1 1 425.574 0.598 20 0 ICADMO O=C(Cc1ccc(F)cc1)N[C@@H](CO)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001540734360 1071669187 /nfs/dbraw/zinc/66/91/87/1071669187.db2.gz DQWJYJULVMJZTA-NRFANRHFSA-N 1 1 446.498 0.923 20 0 ICADMO CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H](c3ccc(Cl)cc3)[NH+](C)C)CC2)CC1 ZINC001540750451 1071671132 /nfs/dbraw/zinc/67/11/32/1071671132.db2.gz MMJSXVKMUYNALH-GOSISDBHSA-N 1 1 444.001 0.579 20 0 ICADMO CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@H](c3ccc(Cl)cc3)[NH+](C)C)CC2)CC1 ZINC001540750452 1071671091 /nfs/dbraw/zinc/67/10/91/1071671091.db2.gz MMJSXVKMUYNALH-SFHVURJKSA-N 1 1 444.001 0.579 20 0 ICADMO CN1CC[NH+](Cc2ccc(NC(=O)c3nc(S(N)(=O)=O)c4ccccn43)cc2)CC1 ZINC001540769633 1071675286 /nfs/dbraw/zinc/67/52/86/1071675286.db2.gz SYGCUKTURKAGKE-UHFFFAOYSA-N 1 1 428.518 0.981 20 0 ICADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)c2cnn3c2S(=O)(=O)N(C)CC3)CC1 ZINC001540774622 1071675221 /nfs/dbraw/zinc/67/52/21/1071675221.db2.gz KXTRFLRQHPIWQC-UHFFFAOYSA-N 1 1 446.577 0.585 20 0 ICADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)CN2CCC[C@H](C(=O)OC)C2=O)CC1 ZINC001540774855 1071675163 /nfs/dbraw/zinc/67/51/63/1071675163.db2.gz VRWFNXHHHTVWNG-FQEVSTJZSA-N 1 1 430.549 0.852 20 0 ICADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)CN2CCC[C@@H](C(=O)OC)C2=O)CC1 ZINC001540774856 1071675051 /nfs/dbraw/zinc/67/50/51/1071675051.db2.gz VRWFNXHHHTVWNG-HXUWFJFHSA-N 1 1 430.549 0.852 20 0 ICADMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)CC1 ZINC001540775815 1071675254 /nfs/dbraw/zinc/67/52/54/1071675254.db2.gz DNERKELELGPSNA-UHFFFAOYSA-N 1 1 449.556 0.790 20 0 ICADMO CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC001540776264 1071674975 /nfs/dbraw/zinc/67/49/75/1071674975.db2.gz UXVXQLDVZFQIOA-DOTOQJQBSA-N 1 1 428.574 0.957 20 0 ICADMO CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC001540776265 1071675266 /nfs/dbraw/zinc/67/52/66/1071675266.db2.gz UXVXQLDVZFQIOA-NVXWUHKLSA-N 1 1 428.574 0.957 20 0 ICADMO CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC001540776266 1071675320 /nfs/dbraw/zinc/67/53/20/1071675320.db2.gz UXVXQLDVZFQIOA-RDJZCZTQSA-N 1 1 428.574 0.957 20 0 ICADMO CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC001540776267 1071675089 /nfs/dbraw/zinc/67/50/89/1071675089.db2.gz UXVXQLDVZFQIOA-WBVHZDCISA-N 1 1 428.574 0.957 20 0 ICADMO NS(=O)(=O)c1nc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)n2ccccc12 ZINC001540780377 1071676409 /nfs/dbraw/zinc/67/64/09/1071676409.db2.gz ZYXPDXZZOMWVHG-UHFFFAOYSA-N 1 1 428.518 0.534 20 0 ICADMO Cn1cc(C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c(I)n1 ZINC001540799296 1071676448 /nfs/dbraw/zinc/67/64/48/1071676448.db2.gz ATXWNSLRBGCLJM-UHFFFAOYSA-N 1 1 445.305 0.651 20 0 ICADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)c3cn(CCO)nc3C3CCOCC3)CC2)CC1 ZINC001540799435 1071676419 /nfs/dbraw/zinc/67/64/19/1071676419.db2.gz HDDOBTRQAHTTBN-UHFFFAOYSA-N 1 1 433.553 0.396 20 0 ICADMO Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001540799498 1071676362 /nfs/dbraw/zinc/67/63/62/1071676362.db2.gz JKCJMGFBMQKLHB-UHFFFAOYSA-N 1 1 436.578 0.872 20 0 ICADMO CCS(=O)(=O)NC1CCN(C(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001540799545 1071677079 /nfs/dbraw/zinc/67/70/79/1071677079.db2.gz LANPMUZSPIMDAU-UHFFFAOYSA-N 1 1 432.587 0.906 20 0 ICADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)CSc3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC001540799732 1071677142 /nfs/dbraw/zinc/67/71/42/1071677142.db2.gz SBFUVGYMPHBURF-UHFFFAOYSA-N 1 1 440.591 0.439 20 0 ICADMO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001540802765 1071677012 /nfs/dbraw/zinc/67/70/12/1071677012.db2.gz FWMHVZVYLHVYCD-UHFFFAOYSA-N 1 1 445.564 0.500 20 0 ICADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3cc(S(C)(=O)=O)ccc3N)cc2)CC1 ZINC001540802816 1071677107 /nfs/dbraw/zinc/67/71/07/1071677107.db2.gz HZTANTDZGKILBM-UHFFFAOYSA-N 1 1 430.530 0.990 20 0 ICADMO COC(=O)c1ncoc1COCC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001540803212 1071677126 /nfs/dbraw/zinc/67/71/26/1071677126.db2.gz WZHUEIRZMBBWFK-UHFFFAOYSA-N 1 1 430.461 0.682 20 0 ICADMO CN1CC[NH+](Cc2ccc(CNC(=O)[C@H](CO)NC(=O)Cc3ccc(F)cc3)cc2)CC1 ZINC001540808220 1071677040 /nfs/dbraw/zinc/67/70/40/1071677040.db2.gz CLWYVSSTLJHBNX-QFIPXVFZSA-N 1 1 442.535 0.909 20 0 ICADMO CCN1CC[NH+](Cc2ccc(CNC(=O)CN3CCC[C@H](C(=O)OC)C3=O)cc2)CC1 ZINC001540809932 1071677085 /nfs/dbraw/zinc/67/70/85/1071677085.db2.gz OWKFTKILSSGSKX-FQEVSTJZSA-N 1 1 430.549 0.852 20 0 ICADMO CCN1CC[NH+](Cc2ccc(CNC(=O)CN3CCC[C@@H](C(=O)OC)C3=O)cc2)CC1 ZINC001540809933 1071677051 /nfs/dbraw/zinc/67/70/51/1071677051.db2.gz OWKFTKILSSGSKX-HXUWFJFHSA-N 1 1 430.549 0.852 20 0 ICADMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC001540816733 1071679866 /nfs/dbraw/zinc/67/98/66/1071679866.db2.gz QDIZNYZMUSOLFY-INIZCTEOSA-N 1 1 438.550 0.258 20 0 ICADMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC001540816734 1071679811 /nfs/dbraw/zinc/67/98/11/1071679811.db2.gz QDIZNYZMUSOLFY-MRXNPFEDSA-N 1 1 438.550 0.258 20 0 ICADMO O=C(CC[N@@H+]1CC[C@@H](F)C1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC001540816907 1071679880 /nfs/dbraw/zinc/67/98/80/1071679880.db2.gz WRRXAFOMXNDWAQ-CYBMUJFWSA-N 1 1 425.486 0.535 20 0 ICADMO O=C(CC[N@@H+]1CC[C@H](F)C1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC001540816908 1071679697 /nfs/dbraw/zinc/67/96/97/1071679697.db2.gz WRRXAFOMXNDWAQ-ZDUSSCGKSA-N 1 1 425.486 0.535 20 0 ICADMO O=C(N[C@@H](CO)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC001540818775 1071680437 /nfs/dbraw/zinc/68/04/37/1071680437.db2.gz DQGSQTUICCLHCF-FQEVSTJZSA-N 1 1 432.471 0.994 20 0 ICADMO O=C(CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2)N[C@H]1CCS(=O)(=O)C1 ZINC001540823150 1071680521 /nfs/dbraw/zinc/68/05/21/1071680521.db2.gz BADIVLKQKQFYNP-CNNODRBYSA-N 1 1 449.573 0.335 20 0 ICADMO O=C(CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2)N[C@@H]1CCS(=O)(=O)C1 ZINC001540823151 1071680490 /nfs/dbraw/zinc/68/04/90/1071680490.db2.gz BADIVLKQKQFYNP-DXIQSLLYSA-N 1 1 449.573 0.335 20 0 ICADMO O=C(CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2)N[C@H]1CCS(=O)(=O)C1 ZINC001540823152 1071680449 /nfs/dbraw/zinc/68/04/49/1071680449.db2.gz BADIVLKQKQFYNP-IPJJNNNSSA-N 1 1 449.573 0.335 20 0 ICADMO O=C(CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2)N[C@@H]1CCS(=O)(=O)C1 ZINC001540823153 1071680510 /nfs/dbraw/zinc/68/05/10/1071680510.db2.gz BADIVLKQKQFYNP-XQBPLPMBSA-N 1 1 449.573 0.335 20 0 ICADMO C[C@H](CNC(=O)[C@H](CO)NC(=O)c1cccc(F)n1)[NH+]1CCN(c2ccccc2)CC1 ZINC001540831708 1071681766 /nfs/dbraw/zinc/68/17/66/1071681766.db2.gz SVLPMKYGTPWARC-APWZRJJASA-N 1 1 429.496 0.638 20 0 ICADMO C[C@@H](CNC(=O)[C@H](CO)NC(=O)c1cccc(F)n1)[NH+]1CCN(c2ccccc2)CC1 ZINC001540831709 1071681658 /nfs/dbraw/zinc/68/16/58/1071681658.db2.gz SVLPMKYGTPWARC-LPHOPBHVSA-N 1 1 429.496 0.638 20 0 ICADMO CS(=O)(=O)CC1(C(=O)Nc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)COC1 ZINC001540834745 1071682144 /nfs/dbraw/zinc/68/21/44/1071682144.db2.gz LHTCENGMKIXSIP-UHFFFAOYSA-N 1 1 443.497 0.486 20 0 ICADMO CC(C)N1CC[NH+](CCC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)CC1 ZINC001540835000 1071682307 /nfs/dbraw/zinc/68/23/07/1071682307.db2.gz SPWOREKHGIBEHH-UHFFFAOYSA-N 1 1 444.536 0.922 20 0 ICADMO CN1CC[N@@H+](CCCNC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)[C@H](c2ccccc2)C1 ZINC001540835711 1071682897 /nfs/dbraw/zinc/68/28/97/1071682897.db2.gz RVAQOTBBYGFIDA-HKUYNNGSSA-N 1 1 427.509 0.495 20 0 ICADMO CN1CC[N@H+](CCCNC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)[C@H](c2ccccc2)C1 ZINC001540835711 1071682893 /nfs/dbraw/zinc/68/28/93/1071682893.db2.gz RVAQOTBBYGFIDA-HKUYNNGSSA-N 1 1 427.509 0.495 20 0 ICADMO C[N@H+]1CCN(CCCNC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)[C@H](c2ccccc2)C1 ZINC001540835711 1071682888 /nfs/dbraw/zinc/68/28/88/1071682888.db2.gz RVAQOTBBYGFIDA-HKUYNNGSSA-N 1 1 427.509 0.495 20 0 ICADMO CN1CC[N@@H+](CCCNC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)[C@@H](c2ccccc2)C1 ZINC001540835712 1071683376 /nfs/dbraw/zinc/68/33/76/1071683376.db2.gz RVAQOTBBYGFIDA-IEBWSBKVSA-N 1 1 427.509 0.495 20 0 ICADMO CN1CC[N@H+](CCCNC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)[C@@H](c2ccccc2)C1 ZINC001540835712 1071683367 /nfs/dbraw/zinc/68/33/67/1071683367.db2.gz RVAQOTBBYGFIDA-IEBWSBKVSA-N 1 1 427.509 0.495 20 0 ICADMO C[N@H+]1CCN(CCCNC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)[C@@H](c2ccccc2)C1 ZINC001540835712 1071683359 /nfs/dbraw/zinc/68/33/59/1071683359.db2.gz RVAQOTBBYGFIDA-IEBWSBKVSA-N 1 1 427.509 0.495 20 0 ICADMO CN1CC[N@@H+](CCCNC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)[C@H](c2ccccc2)C1 ZINC001540835713 1071683298 /nfs/dbraw/zinc/68/32/98/1071683298.db2.gz RVAQOTBBYGFIDA-MJGOQNOKSA-N 1 1 427.509 0.495 20 0 ICADMO CN1CC[N@H+](CCCNC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)[C@H](c2ccccc2)C1 ZINC001540835713 1071683295 /nfs/dbraw/zinc/68/32/95/1071683295.db2.gz RVAQOTBBYGFIDA-MJGOQNOKSA-N 1 1 427.509 0.495 20 0 ICADMO C[N@H+]1CCN(CCCNC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)[C@H](c2ccccc2)C1 ZINC001540835713 1071683292 /nfs/dbraw/zinc/68/32/92/1071683292.db2.gz RVAQOTBBYGFIDA-MJGOQNOKSA-N 1 1 427.509 0.495 20 0 ICADMO CN1CC[N@@H+](CCCNC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)[C@@H](c2ccccc2)C1 ZINC001540835714 1071683269 /nfs/dbraw/zinc/68/32/69/1071683269.db2.gz RVAQOTBBYGFIDA-PKOBYXMFSA-N 1 1 427.509 0.495 20 0 ICADMO CN1CC[N@H+](CCCNC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)[C@@H](c2ccccc2)C1 ZINC001540835714 1071683262 /nfs/dbraw/zinc/68/32/62/1071683262.db2.gz RVAQOTBBYGFIDA-PKOBYXMFSA-N 1 1 427.509 0.495 20 0 ICADMO C[N@H+]1CCN(CCCNC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)[C@@H](c2ccccc2)C1 ZINC001540835714 1071683257 /nfs/dbraw/zinc/68/32/57/1071683257.db2.gz RVAQOTBBYGFIDA-PKOBYXMFSA-N 1 1 427.509 0.495 20 0 ICADMO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CCN(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)CC3)C[N@H+]2C1 ZINC001540846112 1071685316 /nfs/dbraw/zinc/68/53/16/1071685316.db2.gz PNNRGVNQJZBQMJ-BCYZHJNNSA-N 1 1 428.599 0.605 20 0 ICADMO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CCN(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)CC3)C[N@H+]2C1 ZINC001540846113 1071685262 /nfs/dbraw/zinc/68/52/62/1071685262.db2.gz PNNRGVNQJZBQMJ-FQBWVUSXSA-N 1 1 428.599 0.605 20 0 ICADMO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CCN(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)CC3)C[N@H+]2C1 ZINC001540846114 1071685216 /nfs/dbraw/zinc/68/52/16/1071685216.db2.gz PNNRGVNQJZBQMJ-GFEQUFNTSA-N 1 1 428.599 0.605 20 0 ICADMO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CCN(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)CC3)C[N@H+]2C1 ZINC001540846115 1071685394 /nfs/dbraw/zinc/68/53/94/1071685394.db2.gz PNNRGVNQJZBQMJ-QQXKLLMISA-N 1 1 428.599 0.605 20 0 ICADMO CC[C@H](C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001540846119 1071685743 /nfs/dbraw/zinc/68/57/43/1071685743.db2.gz PXNWTCHGEOTDFW-FCGDIQPGSA-N 1 1 446.614 0.374 20 0 ICADMO CC[C@H](C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001540846119 1071685734 /nfs/dbraw/zinc/68/57/34/1071685734.db2.gz PXNWTCHGEOTDFW-FCGDIQPGSA-N 1 1 446.614 0.374 20 0 ICADMO CC[C@@H](C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001540846120 1071685832 /nfs/dbraw/zinc/68/58/32/1071685832.db2.gz 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CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4cnccn4)n3CC(C)(C)O)C[C@H]2C)CC1 ZINC001540972364 1071715221 /nfs/dbraw/zinc/71/52/21/1071715221.db2.gz GZHAZESILQERCX-VQIMIIECSA-N 1 1 442.568 0.885 20 0 ICADMO CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCC[N@H+]2CCCO)[C@H](C)C1 ZINC001540983777 1071717404 /nfs/dbraw/zinc/71/74/04/1071717404.db2.gz NTMNWGITDSEBCL-APWZRJJASA-N 1 1 430.557 0.582 20 0 ICADMO CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCC[N@H+]2CCCO)[C@@H](C)C1 ZINC001540983780 1071717377 /nfs/dbraw/zinc/71/73/77/1071717377.db2.gz NTMNWGITDSEBCL-LPHOPBHVSA-N 1 1 430.557 0.582 20 0 ICADMO CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCC[N@H+]2CCCO)[C@@H](C)C1 ZINC001540983782 1071717349 /nfs/dbraw/zinc/71/73/49/1071717349.db2.gz NTMNWGITDSEBCL-QFBILLFUSA-N 1 1 430.557 0.582 20 0 ICADMO CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCC[N@H+]2CCCO)[C@H](C)C1 ZINC001540983784 1071717484 /nfs/dbraw/zinc/71/74/84/1071717484.db2.gz NTMNWGITDSEBCL-VQIMIIECSA-N 1 1 430.557 0.582 20 0 ICADMO CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC001540984903 1071717808 /nfs/dbraw/zinc/71/78/08/1071717808.db2.gz XYSLFIGEVDMMIJ-INIZCTEOSA-N 1 1 428.541 0.903 20 0 ICADMO CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2CCOCC2)[C@H](C)C1 ZINC001540984907 1071717766 /nfs/dbraw/zinc/71/77/66/1071717766.db2.gz XYSLFIGEVDMMIJ-MRXNPFEDSA-N 1 1 428.541 0.903 20 0 ICADMO CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCN(C)C(C)(C)C2)[C@@H](C)C1 ZINC001540985360 1071717837 /nfs/dbraw/zinc/71/78/37/1071717837.db2.gz ASGOBDDRAZZAFB-KRWDZBQOSA-N 1 1 441.584 0.818 20 0 ICADMO CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)[C@@H](C)C1 ZINC001540985360 1071717831 /nfs/dbraw/zinc/71/78/31/1071717831.db2.gz ASGOBDDRAZZAFB-KRWDZBQOSA-N 1 1 441.584 0.818 20 0 ICADMO CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCN2CC[N@@H+](C)C(C)(C)C2)[C@@H](C)C1 ZINC001540985360 1071717827 /nfs/dbraw/zinc/71/78/27/1071717827.db2.gz ASGOBDDRAZZAFB-KRWDZBQOSA-N 1 1 441.584 0.818 20 0 ICADMO CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCN(C)C(C)(C)C2)[C@H](C)C1 ZINC001540985361 1071717891 /nfs/dbraw/zinc/71/78/91/1071717891.db2.gz ASGOBDDRAZZAFB-QGZVFWFLSA-N 1 1 441.584 0.818 20 0 ICADMO CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)[C@H](C)C1 ZINC001540985361 1071717888 /nfs/dbraw/zinc/71/78/88/1071717888.db2.gz ASGOBDDRAZZAFB-QGZVFWFLSA-N 1 1 441.584 0.818 20 0 ICADMO CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCN2CC[N@@H+](C)C(C)(C)C2)[C@H](C)C1 ZINC001540985361 1071717886 /nfs/dbraw/zinc/71/78/86/1071717886.db2.gz ASGOBDDRAZZAFB-QGZVFWFLSA-N 1 1 441.584 0.818 20 0 ICADMO CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC(C)(C)C2)[C@@H](C)C1 ZINC001540986485 1071718393 /nfs/dbraw/zinc/71/83/93/1071718393.db2.gz OHMDHJIRHBTSFG-DOTOQJQBSA-N 1 1 433.557 0.397 20 0 ICADMO CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC(C)(C)C2)[C@@H](C)C1 ZINC001540986485 1071718390 /nfs/dbraw/zinc/71/83/90/1071718390.db2.gz OHMDHJIRHBTSFG-DOTOQJQBSA-N 1 1 433.557 0.397 20 0 ICADMO CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC(C)(C)C2)[C@H](C)C1 ZINC001540986486 1071718434 /nfs/dbraw/zinc/71/84/34/1071718434.db2.gz OHMDHJIRHBTSFG-NVXWUHKLSA-N 1 1 433.557 0.397 20 0 ICADMO CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC(C)(C)C2)[C@H](C)C1 ZINC001540986486 1071718428 /nfs/dbraw/zinc/71/84/28/1071718428.db2.gz OHMDHJIRHBTSFG-NVXWUHKLSA-N 1 1 433.557 0.397 20 0 ICADMO CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC(C)(C)C2)[C@@H](C)C1 ZINC001540986487 1071718344 /nfs/dbraw/zinc/71/83/44/1071718344.db2.gz OHMDHJIRHBTSFG-RDJZCZTQSA-N 1 1 433.557 0.397 20 0 ICADMO CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC(C)(C)C2)[C@@H](C)C1 ZINC001540986487 1071718338 /nfs/dbraw/zinc/71/83/38/1071718338.db2.gz OHMDHJIRHBTSFG-RDJZCZTQSA-N 1 1 433.557 0.397 20 0 ICADMO CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC(C)(C)C2)[C@H](C)C1 ZINC001540986488 1071718382 /nfs/dbraw/zinc/71/83/82/1071718382.db2.gz OHMDHJIRHBTSFG-WBVHZDCISA-N 1 1 433.557 0.397 20 0 ICADMO CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC(C)(C)C2)[C@H](C)C1 ZINC001540986488 1071718378 /nfs/dbraw/zinc/71/83/78/1071718378.db2.gz OHMDHJIRHBTSFG-WBVHZDCISA-N 1 1 433.557 0.397 20 0 ICADMO CC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001540990959 1071719201 /nfs/dbraw/zinc/71/92/01/1071719201.db2.gz HVQISZGTKPHLNK-KRWDZBQOSA-N 1 1 426.587 0.579 20 0 ICADMO CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001540990960 1071719291 /nfs/dbraw/zinc/71/92/91/1071719291.db2.gz HVQISZGTKPHLNK-QGZVFWFLSA-N 1 1 426.587 0.579 20 0 ICADMO CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001540992820 1071720044 /nfs/dbraw/zinc/72/00/44/1071720044.db2.gz XOQHUFNSUVDVJO-FQEVSTJZSA-N 1 1 433.601 0.724 20 0 ICADMO CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001540992821 1071720017 /nfs/dbraw/zinc/72/00/17/1071720017.db2.gz XOQHUFNSUVDVJO-HXUWFJFHSA-N 1 1 433.601 0.724 20 0 ICADMO CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001540993837 1071720097 /nfs/dbraw/zinc/72/00/97/1071720097.db2.gz ZZOCWRPRXSKTDE-GOSISDBHSA-N 1 1 427.553 0.901 20 0 ICADMO CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001540993838 1071720513 /nfs/dbraw/zinc/72/05/13/1071720513.db2.gz ZZOCWRPRXSKTDE-SFHVURJKSA-N 1 1 427.553 0.901 20 0 ICADMO CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001540996229 1071720448 /nfs/dbraw/zinc/72/04/48/1071720448.db2.gz CQFWBNOFIDERIP-IBGZPJMESA-N 1 1 444.584 0.919 20 0 ICADMO CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001540996230 1071720466 /nfs/dbraw/zinc/72/04/66/1071720466.db2.gz CQFWBNOFIDERIP-LJQANCHMSA-N 1 1 444.584 0.919 20 0 ICADMO CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC001540996795 1071721016 /nfs/dbraw/zinc/72/10/16/1071721016.db2.gz SKEWHIMZZVLDHG-KRWDZBQOSA-N 1 1 447.584 0.568 20 0 ICADMO CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[NH+]2CCOCC2)[C@H](C)C1 ZINC001540996796 1071720987 /nfs/dbraw/zinc/72/09/87/1071720987.db2.gz SKEWHIMZZVLDHG-QGZVFWFLSA-N 1 1 447.584 0.568 20 0 ICADMO CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001540996854 1071720958 /nfs/dbraw/zinc/72/09/58/1071720958.db2.gz UXQOQGLZNXNVCB-UHFFFAOYSA-N 1 1 446.600 0.095 20 0 ICADMO CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001540996854 1071720951 /nfs/dbraw/zinc/72/09/51/1071720951.db2.gz UXQOQGLZNXNVCB-UHFFFAOYSA-N 1 1 446.600 0.095 20 0 ICADMO CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001540996854 1071720946 /nfs/dbraw/zinc/72/09/46/1071720946.db2.gz UXQOQGLZNXNVCB-UHFFFAOYSA-N 1 1 446.600 0.095 20 0 ICADMO CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001540996857 1071720905 /nfs/dbraw/zinc/72/09/05/1071720905.db2.gz VCNIJUQSTYTWNB-UHFFFAOYSA-N 1 1 444.584 0.919 20 0 ICADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@H]4CCC(=O)N4)n3CCCCCO)C[C@H]2C)CC1 ZINC001541000413 1071721533 /nfs/dbraw/zinc/72/15/33/1071721533.db2.gz ACRHVBSLQAXBNC-BHIYHBOVSA-N 1 1 447.584 0.381 20 0 ICADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@@H]4CCC(=O)N4)n3CCCCCO)C[C@H]2C)CC1 ZINC001541000414 1071721501 /nfs/dbraw/zinc/72/15/01/1071721501.db2.gz ACRHVBSLQAXBNC-NZSAHSFTSA-N 1 1 447.584 0.381 20 0 ICADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@H]4CCC(=O)N4)n3CCCCCO)C[C@@H]2C)CC1 ZINC001541000415 1071721341 /nfs/dbraw/zinc/72/13/41/1071721341.db2.gz ACRHVBSLQAXBNC-QXAKKESOSA-N 1 1 447.584 0.381 20 0 ICADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@@H]4CCC(=O)N4)n3CCCCCO)C[C@@H]2C)CC1 ZINC001541000416 1071721478 /nfs/dbraw/zinc/72/14/78/1071721478.db2.gz ACRHVBSLQAXBNC-YTQUADARSA-N 1 1 447.584 0.381 20 0 ICADMO CC(=O)N1CCN([C@@H]2CN(c3nnc(C)n3CCN3CC[N@@H+](C)C(C)(C)C3)C[C@@H]2C)CC1 ZINC001541000565 1071721358 /nfs/dbraw/zinc/72/13/58/1071721358.db2.gz COYOGLZNWGSTHJ-GHTZIAJQSA-N 1 1 446.644 0.601 20 0 ICADMO CC(=O)N1CCN([C@H]2CN(c3nnc(C)n3CCN3CC[N@@H+](C)C(C)(C)C3)C[C@H]2C)CC1 ZINC001541000566 1071721454 /nfs/dbraw/zinc/72/14/54/1071721454.db2.gz COYOGLZNWGSTHJ-NQIIRXRSSA-N 1 1 446.644 0.601 20 0 ICADMO CC(=O)N1CCN([C@H]2CN(c3nnc(C)n3CCN3CC[N@@H+](C)C(C)(C)C3)C[C@@H]2C)CC1 ZINC001541000567 1071721549 /nfs/dbraw/zinc/72/15/49/1071721549.db2.gz COYOGLZNWGSTHJ-RXVVDRJESA-N 1 1 446.644 0.601 20 0 ICADMO CC(=O)N1CCN([C@@H]2CN(c3nnc(C)n3CCN3CC[N@@H+](C)C(C)(C)C3)C[C@H]2C)CC1 ZINC001541000568 1071721320 /nfs/dbraw/zinc/72/13/20/1071721320.db2.gz COYOGLZNWGSTHJ-WIYYLYMNSA-N 1 1 446.644 0.601 20 0 ICADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4ccc[nH]4)n3CCOCCCO)C[C@@H]2C)CC1 ZINC001541000651 1071721571 /nfs/dbraw/zinc/72/15/71/1071721571.db2.gz DLEGBYPBQTUIGA-FXAWDEMLSA-N 1 1 445.568 0.661 20 0 ICADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4ccc[nH]4)n3CCOCCCO)C[C@@H]2C)CC1 ZINC001541000652 1071721518 /nfs/dbraw/zinc/72/15/18/1071721518.db2.gz DLEGBYPBQTUIGA-PXNSSMCTSA-N 1 1 445.568 0.661 20 0 ICADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4ccc[nH]4)n3CCOCCCO)C[C@H]2C)CC1 ZINC001541000653 1071721308 /nfs/dbraw/zinc/72/13/08/1071721308.db2.gz DLEGBYPBQTUIGA-XLIONFOSSA-N 1 1 445.568 0.661 20 0 ICADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4ccc[nH]4)n3CCOCCCO)C[C@H]2C)CC1 ZINC001541000654 1071721390 /nfs/dbraw/zinc/72/13/90/1071721390.db2.gz DLEGBYPBQTUIGA-YLJYHZDGSA-N 1 1 445.568 0.661 20 0 ICADMO CC(=O)N1CCN([C@@H]2CN(c3nnc(C)n3CCCC[N@H+]3CCC[C@H]3CO)C[C@H]2C)CC1 ZINC001541000780 1071721580 /nfs/dbraw/zinc/72/15/80/1071721580.db2.gz GIFJBKPCEOZLTO-BVYCBKJFSA-N 1 1 447.628 0.812 20 0 ICADMO CC(=O)N1CCN([C@@H]2CN(c3nnc(C)n3CCCC[N@H+]3CCC[C@@H]3CO)C[C@H]2C)CC1 ZINC001541000781 1071721413 /nfs/dbraw/zinc/72/14/13/1071721413.db2.gz GIFJBKPCEOZLTO-STZQEDGTSA-N 1 1 447.628 0.812 20 0 ICADMO CC(=O)N1CCN([C@@H]2CN(c3nnc(C)n3CCCC[N@H+]3CCC[C@@H]3CO)C[C@@H]2C)CC1 ZINC001541000782 1071722128 /nfs/dbraw/zinc/72/21/28/1071722128.db2.gz GIFJBKPCEOZLTO-VLCRHTCISA-N 1 1 447.628 0.812 20 0 ICADMO CC(=O)N1CCN([C@@H]2CN(c3nnc(C)n3CCCC[N@H+]3CCC[C@H]3CO)C[C@@H]2C)CC1 ZINC001541000783 1071722007 /nfs/dbraw/zinc/72/20/07/1071722007.db2.gz GIFJBKPCEOZLTO-YUXAGFNASA-N 1 1 447.628 0.812 20 0 ICADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CC(F)(F)F)C[C@@H]2C)CC1 ZINC001541000900 1071722159 /nfs/dbraw/zinc/72/21/59/1071722159.db2.gz HYDAVFDPCUILHP-DZGCQCFKSA-N 1 1 445.490 0.967 20 0 ICADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CC(F)(F)F)C[C@H]2C)CC1 ZINC001541000901 1071722054 /nfs/dbraw/zinc/72/20/54/1071722054.db2.gz HYDAVFDPCUILHP-HIFRSBDPSA-N 1 1 445.490 0.967 20 0 ICADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CC(F)(F)F)C[C@H]2C)CC1 ZINC001541000902 1071721929 /nfs/dbraw/zinc/72/19/29/1071721929.db2.gz HYDAVFDPCUILHP-UKRRQHHQSA-N 1 1 445.490 0.967 20 0 ICADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CC(F)(F)F)C[C@@H]2C)CC1 ZINC001541000903 1071722111 /nfs/dbraw/zinc/72/21/11/1071722111.db2.gz HYDAVFDPCUILHP-ZFWWWQNUSA-N 1 1 445.490 0.967 20 0 ICADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CC(=O)NCC(F)F)C[C@H]2C)CC1 ZINC001541001542 1071721991 /nfs/dbraw/zinc/72/19/91/1071721991.db2.gz MLQKRNMFZDJIQI-GDBMZVCRSA-N 1 1 441.527 0.772 20 0 ICADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CC(=O)NCC(F)F)C[C@@H]2C)CC1 ZINC001541001543 1071722143 /nfs/dbraw/zinc/72/21/43/1071722143.db2.gz MLQKRNMFZDJIQI-GOEBONIOSA-N 1 1 441.527 0.772 20 0 ICADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CC(=O)NCC(F)F)C[C@@H]2C)CC1 ZINC001541001544 1071722116 /nfs/dbraw/zinc/72/21/16/1071722116.db2.gz MLQKRNMFZDJIQI-HOCLYGCPSA-N 1 1 441.527 0.772 20 0 ICADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CC(=O)NCC(F)F)C[C@H]2C)CC1 ZINC001541001545 1071722087 /nfs/dbraw/zinc/72/20/87/1071722087.db2.gz MLQKRNMFZDJIQI-ZBFHGGJFSA-N 1 1 441.527 0.772 20 0 ICADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3C[C@@H]3CC[C@H](CO)O3)C[C@@H]2C)CC1 ZINC001541001989 1071722103 /nfs/dbraw/zinc/72/21/03/1071722103.db2.gz PHOSSHYOZQWACA-FFGOWVMKSA-N 1 1 434.585 0.930 20 0 ICADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@@H]3CC[C@H](CO)O3)C[C@H]2C)CC1 ZINC001541001991 1071721967 /nfs/dbraw/zinc/72/19/67/1071721967.db2.gz PHOSSHYOZQWACA-GSEOLPGOSA-N 1 1 434.585 0.930 20 0 ICADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@@H]3CC[C@H](CO)O3)C[C@@H]2C)CC1 ZINC001541001992 1071722070 /nfs/dbraw/zinc/72/20/70/1071722070.db2.gz PHOSSHYOZQWACA-IJXRJRJASA-N 1 1 434.585 0.930 20 0 ICADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3C[C@@H]3CC[C@H](CO)O3)C[C@H]2C)CC1 ZINC001541001995 1071722080 /nfs/dbraw/zinc/72/20/80/1071722080.db2.gz PHOSSHYOZQWACA-MDNKFWRPSA-N 1 1 434.585 0.930 20 0 ICADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@]3(O)CCOC3)C[C@H]2C)CC1 ZINC001541002142 1071722095 /nfs/dbraw/zinc/72/20/95/1071722095.db2.gz RSLKKLNBCQNGPK-JUXOCIIHSA-N 1 1 434.585 0.617 20 0 ICADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@]3(O)CCOC3)C[C@@H]2C)CC1 ZINC001541002143 1071722682 /nfs/dbraw/zinc/72/26/82/1071722682.db2.gz RSLKKLNBCQNGPK-KPLVRAHFSA-N 1 1 434.585 0.617 20 0 ICADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@]3(O)CCOC3)C[C@@H]2C)CC1 ZINC001541002144 1071722665 /nfs/dbraw/zinc/72/26/65/1071722665.db2.gz RSLKKLNBCQNGPK-LRXVAGHRSA-N 1 1 434.585 0.617 20 0 ICADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@]3(O)CCOC3)C[C@H]2C)CC1 ZINC001541002145 1071722559 /nfs/dbraw/zinc/72/25/59/1071722559.db2.gz RSLKKLNBCQNGPK-SFGWALBWSA-N 1 1 434.585 0.617 20 0 ICADMO CC(=O)N1CCN([C@@H]2CN(c3nnc(C)n3C[C@@H]3C[N@@H+](CC(C)C)CCO3)C[C@H]2C)CC1 ZINC001541002606 1071722534 /nfs/dbraw/zinc/72/25/34/1071722534.db2.gz VFQAMQICTSYPTG-BVYCBKJFSA-N 1 1 447.628 0.932 20 0 ICADMO CC(=O)N1CCN([C@@H]2CN(c3nnc(C)n3C[C@H]3C[N@@H+](CC(C)C)CCO3)C[C@H]2C)CC1 ZINC001541002609 1071722696 /nfs/dbraw/zinc/72/26/96/1071722696.db2.gz VFQAMQICTSYPTG-STZQEDGTSA-N 1 1 447.628 0.932 20 0 ICADMO CC(=O)N1CCN([C@@H]2CN(c3nnc(C)n3C[C@H]3C[N@@H+](CC(C)C)CCO3)C[C@@H]2C)CC1 ZINC001541002611 1071722614 /nfs/dbraw/zinc/72/26/14/1071722614.db2.gz VFQAMQICTSYPTG-VLCRHTCISA-N 1 1 447.628 0.932 20 0 ICADMO CC(=O)N1CCN([C@@H]2CN(c3nnc(C)n3C[C@@H]3C[N@@H+](CC(C)C)CCO3)C[C@@H]2C)CC1 ZINC001541002612 1071722566 /nfs/dbraw/zinc/72/25/66/1071722566.db2.gz VFQAMQICTSYPTG-YUXAGFNASA-N 1 1 447.628 0.932 20 0 ICADMO CC(=O)N1CCN(CCn2c(C(=O)NC(C)C)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001541003552 1071723218 /nfs/dbraw/zinc/72/32/18/1071723218.db2.gz QSJLKOGAJAGLHF-UHFFFAOYSA-N 1 1 448.616 0.501 20 0 ICADMO CC(=O)N1CCN(c2nnc(-c3cccn3C)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001541004991 1071723269 /nfs/dbraw/zinc/72/32/69/1071723269.db2.gz FKUPZAVAMHGZCB-UHFFFAOYSA-N 1 1 428.541 0.116 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3cccn3C)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001541005028 1071723117 /nfs/dbraw/zinc/72/31/17/1071723117.db2.gz HDTNRSMQULLMTB-UHFFFAOYSA-N 1 1 430.557 0.409 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3cccnc3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001541005050 1071723305 /nfs/dbraw/zinc/72/33/05/1071723305.db2.gz IPCFERRHUYSSOW-UHFFFAOYSA-N 1 1 440.552 0.596 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccc3F)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001541005075 1071723235 /nfs/dbraw/zinc/72/32/35/1071723235.db2.gz IZSJVDASJGUPAV-UHFFFAOYSA-N 1 1 429.500 0.527 20 0 ICADMO CC(=O)N1CCN(CCn2c(C3CC3)nnc2N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC001541005082 1071723170 /nfs/dbraw/zinc/72/31/70/1071723170.db2.gz JCWDMRVBBJJEGC-UHFFFAOYSA-N 1 1 433.601 0.867 20 0 ICADMO CC(=O)N1CCN(CCn2c(-c3cnn(C)c3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001541005181 1071723625 /nfs/dbraw/zinc/72/36/25/1071723625.db2.gz LXJRPBPEOCCDHZ-UHFFFAOYSA-N 1 1 443.600 0.763 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3cnccn3)nnc2N(C)C[C@H]2CCCOC2)CC1 ZINC001541005239 1071723561 /nfs/dbraw/zinc/72/35/61/1071723561.db2.gz NYMRCVYHDKJILE-GOSISDBHSA-N 1 1 428.541 0.762 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3cnccn3)nnc2N(C)C[C@@H]2CCCOC2)CC1 ZINC001541005240 1071723676 /nfs/dbraw/zinc/72/36/76/1071723676.db2.gz NYMRCVYHDKJILE-SFHVURJKSA-N 1 1 428.541 0.762 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3cccn3C)nnc2N(C)CCN2CCOCC2)CC1 ZINC001541005244 1071723575 /nfs/dbraw/zinc/72/35/75/1071723575.db2.gz OHJFRGBNRJFIJJ-UHFFFAOYSA-N 1 1 444.584 0.216 20 0 ICADMO COC(=O)c1cccn(CC(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1=O ZINC001541005420 1071723743 /nfs/dbraw/zinc/72/37/43/1071723743.db2.gz CYJXKJMOXMWVBL-UHFFFAOYSA-N 1 1 436.509 0.694 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc[nH]3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001541005530 1071723804 /nfs/dbraw/zinc/72/38/04/1071723804.db2.gz UOQHJDQGTWWRHR-UHFFFAOYSA-N 1 1 442.568 0.742 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3cnccn3)nnc2N(CCCCO)C2CC2)CC1 ZINC001541005534 1071723708 /nfs/dbraw/zinc/72/37/08/1071723708.db2.gz URRSAOAFXSMNJL-UHFFFAOYSA-N 1 1 428.541 0.641 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001541005666 1071723769 /nfs/dbraw/zinc/72/37/69/1071723769.db2.gz WLHAFTKKDNXAIX-JOCHJYFZSA-N 1 1 425.537 0.811 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001541005671 1071723788 /nfs/dbraw/zinc/72/37/88/1071723788.db2.gz WLHAFTKKDNXAIX-QFIPXVFZSA-N 1 1 425.537 0.811 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccc3F)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001541005678 1071723691 /nfs/dbraw/zinc/72/36/91/1071723691.db2.gz WSZUZNGTYHPJEA-QGZVFWFLSA-N 1 1 443.527 0.950 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3cccn3C)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001541005715 1071724308 /nfs/dbraw/zinc/72/43/08/1071724308.db2.gz XNLPEUVQWOPLEU-INIZCTEOSA-N 1 1 428.541 0.115 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3cccn3C)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001541005718 1071724206 /nfs/dbraw/zinc/72/42/06/1071724206.db2.gz XNLPEUVQWOPLEU-MRXNPFEDSA-N 1 1 428.541 0.115 20 0 ICADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)Cn3nc(C(F)(F)F)c4c3CCOC4)CC2)CC1 ZINC001541007979 1071725941 /nfs/dbraw/zinc/72/59/41/1071725941.db2.gz GTVWXUYSJBWBHE-UHFFFAOYSA-N 1 1 443.470 0.987 20 0 ICADMO Cn1nc(I)cc1C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001541008186 1071725932 /nfs/dbraw/zinc/72/59/32/1071725932.db2.gz LHAVYXSIJDHMFW-UHFFFAOYSA-N 1 1 445.305 0.651 20 0 ICADMO Cc1[nH]nc(I)c1C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001541008331 1071725897 /nfs/dbraw/zinc/72/58/97/1071725897.db2.gz NEZSJQKRLMOFMX-UHFFFAOYSA-N 1 1 445.305 0.949 20 0 ICADMO CC(=O)Nc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[N@H+]3CCOC[C@@H]3C2)cn1 ZINC001541010102 1071725827 /nfs/dbraw/zinc/72/58/27/1071725827.db2.gz GXAUDRIFHRMAOW-KRWDZBQOSA-N 1 1 442.524 0.339 20 0 ICADMO CC(=O)Nc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[N@@H+]3CCOC[C@@H]3C2)cn1 ZINC001541010102 1071725823 /nfs/dbraw/zinc/72/58/23/1071725823.db2.gz GXAUDRIFHRMAOW-KRWDZBQOSA-N 1 1 442.524 0.339 20 0 ICADMO CC(=O)Nc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[N@H+]3CCOC[C@H]3C2)cn1 ZINC001541010103 1071725925 /nfs/dbraw/zinc/72/59/25/1071725925.db2.gz GXAUDRIFHRMAOW-QGZVFWFLSA-N 1 1 442.524 0.339 20 0 ICADMO CC(=O)Nc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[N@@H+]3CCOC[C@H]3C2)cn1 ZINC001541010103 1071725924 /nfs/dbraw/zinc/72/59/24/1071725924.db2.gz GXAUDRIFHRMAOW-QGZVFWFLSA-N 1 1 442.524 0.339 20 0 ICADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)cc2)CC1 ZINC001541022322 1071727664 /nfs/dbraw/zinc/72/76/64/1071727664.db2.gz ZKPZPWVAIKRQRD-RTWAWAEBSA-N 1 1 430.549 0.570 20 0 ICADMO CC(=O)N[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001541027143 1071728117 /nfs/dbraw/zinc/72/81/17/1071728117.db2.gz IFVYDJCULXOAFD-HKUYNNGSSA-N 1 1 447.584 0.587 20 0 ICADMO CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001541027144 1071728086 /nfs/dbraw/zinc/72/80/86/1071728086.db2.gz IFVYDJCULXOAFD-IEBWSBKVSA-N 1 1 447.584 0.587 20 0 ICADMO CC(=O)N[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001541027145 1071728188 /nfs/dbraw/zinc/72/81/88/1071728188.db2.gz IFVYDJCULXOAFD-MJGOQNOKSA-N 1 1 447.584 0.587 20 0 ICADMO CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001541027146 1071728228 /nfs/dbraw/zinc/72/82/28/1071728228.db2.gz IFVYDJCULXOAFD-PKOBYXMFSA-N 1 1 447.584 0.587 20 0 ICADMO 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CC(C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC001541607478 1071815713 /nfs/dbraw/zinc/81/57/13/1071815713.db2.gz PGTNLMQNLFTIGU-KZNAEPCWSA-N 1 1 441.598 0.905 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC001541607479 1071815997 /nfs/dbraw/zinc/81/59/97/1071815997.db2.gz PGTNLMQNLFTIGU-SQNIBIBYSA-N 1 1 441.598 0.905 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001541607560 1071815941 /nfs/dbraw/zinc/81/59/41/1071815941.db2.gz SCSDRBJQPKCILD-HNNXBMFYSA-N 1 1 428.603 0.871 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001541607561 1071815736 /nfs/dbraw/zinc/81/57/36/1071815736.db2.gz SCSDRBJQPKCILD-OAHLLOKOSA-N 1 1 428.603 0.871 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccnn2)CC1 ZINC001541607651 1071815956 /nfs/dbraw/zinc/81/59/56/1071815956.db2.gz VKQMMOFBSDEALQ-KRWDZBQOSA-N 1 1 448.597 0.637 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccnn2)CC1 ZINC001541607652 1071815763 /nfs/dbraw/zinc/81/57/63/1071815763.db2.gz VKQMMOFBSDEALQ-QGZVFWFLSA-N 1 1 448.597 0.637 20 0 ICADMO CC(C)[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001541607723 1071815670 /nfs/dbraw/zinc/81/56/70/1071815670.db2.gz XDLOJIDGBQOTPM-UHFFFAOYSA-N 1 1 432.577 0.542 20 0 ICADMO CC(C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccnn2)CC1 ZINC001541607974 1071815752 /nfs/dbraw/zinc/81/57/52/1071815752.db2.gz FLQLOVWRXQHIIF-UHFFFAOYSA-N 1 1 427.557 0.857 20 0 ICADMO CC(C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001541608336 1071815979 /nfs/dbraw/zinc/81/59/79/1071815979.db2.gz RVUUVLVLKRQBIO-CVEARBPZSA-N 1 1 428.603 0.999 20 0 ICADMO CC(C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001541608337 1071815687 /nfs/dbraw/zinc/81/56/87/1071815687.db2.gz RVUUVLVLKRQBIO-HOTGVXAUSA-N 1 1 428.603 0.999 20 0 ICADMO CC(C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001541608338 1071815880 /nfs/dbraw/zinc/81/58/80/1071815880.db2.gz RVUUVLVLKRQBIO-HZPDHXFCSA-N 1 1 428.603 0.999 20 0 ICADMO CC(C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001541608339 1071815650 /nfs/dbraw/zinc/81/56/50/1071815650.db2.gz RVUUVLVLKRQBIO-JKSUJKDBSA-N 1 1 428.603 0.999 20 0 ICADMO CC(C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001541608350 1071815520 /nfs/dbraw/zinc/81/55/20/1071815520.db2.gz SBXCQFZWGBMXRD-UHFFFAOYSA-N 1 1 441.602 0.212 20 0 ICADMO CC(C)[N@@H+](C)CCn1c(CC2CC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001541608394 1071816482 /nfs/dbraw/zinc/81/64/82/1071816482.db2.gz ULTJDVYMOAOFBO-UHFFFAOYSA-N 1 1 433.601 0.552 20 0 ICADMO CC(C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001541608451 1071816676 /nfs/dbraw/zinc/81/66/76/1071816676.db2.gz WMFZZMWGAOZNSY-UHFFFAOYSA-N 1 1 446.556 0.261 20 0 ICADMO CC(C)[NH+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(C)(=O)=O)C(C)C ZINC001541618044 1071816619 /nfs/dbraw/zinc/81/66/19/1071816619.db2.gz UCEGALWYEZKAEY-INIZCTEOSA-N 1 1 449.643 0.780 20 0 ICADMO CC(C)[NH+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(C)(=O)=O)C(C)C ZINC001541618045 1071816529 /nfs/dbraw/zinc/81/65/29/1071816529.db2.gz UCEGALWYEZKAEY-MRXNPFEDSA-N 1 1 449.643 0.780 20 0 ICADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cnccn3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001541623369 1071817244 /nfs/dbraw/zinc/81/72/44/1071817244.db2.gz UVUADBRXYHRNTB-INIZCTEOSA-N 1 1 436.586 0.841 20 0 ICADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001541623370 1071817277 /nfs/dbraw/zinc/81/72/77/1071817277.db2.gz UVUADBRXYHRNTB-MRXNPFEDSA-N 1 1 436.586 0.841 20 0 ICADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001541624140 1071817227 /nfs/dbraw/zinc/81/72/27/1071817227.db2.gz BTACDAQTDQZJKD-HNNXBMFYSA-N 1 1 429.529 0.303 20 0 ICADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001541624144 1071818153 /nfs/dbraw/zinc/81/81/53/1071818153.db2.gz BTACDAQTDQZJKD-OAHLLOKOSA-N 1 1 429.529 0.303 20 0 ICADMO CC(C)[N@H+]1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001541624691 1071817802 /nfs/dbraw/zinc/81/78/02/1071817802.db2.gz ACFCTZQDNCGASJ-UHFFFAOYSA-N 1 1 440.552 0.863 20 0 ICADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(C)COCCO2)CC1 ZINC001541624727 1071817957 /nfs/dbraw/zinc/81/79/57/1071817957.db2.gz NKHDNXFHNGCDFU-FXAWDEMLSA-N 1 1 441.598 0.906 20 0 ICADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)COCCO2)CC1 ZINC001541624730 1071817734 /nfs/dbraw/zinc/81/77/34/1071817734.db2.gz NKHDNXFHNGCDFU-PXNSSMCTSA-N 1 1 441.598 0.906 20 0 ICADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)COCCO2)CC1 ZINC001541624733 1071817911 /nfs/dbraw/zinc/81/79/11/1071817911.db2.gz NKHDNXFHNGCDFU-XLIONFOSSA-N 1 1 441.598 0.906 20 0 ICADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(C)COCCO2)CC1 ZINC001541624737 1071817766 /nfs/dbraw/zinc/81/77/66/1071817766.db2.gz NKHDNXFHNGCDFU-YLJYHZDGSA-N 1 1 441.598 0.906 20 0 ICADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)C2CC2)CC1 ZINC001541624884 1071817938 /nfs/dbraw/zinc/81/79/38/1071817938.db2.gz PQWRXSMKLYTZEK-KRWDZBQOSA-N 1 1 438.598 0.627 20 0 ICADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)C2CC2)CC1 ZINC001541624885 1071818232 /nfs/dbraw/zinc/81/82/32/1071818232.db2.gz PQWRXSMKLYTZEK-QGZVFWFLSA-N 1 1 438.598 0.627 20 0 ICADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001541625233 1071818022 /nfs/dbraw/zinc/81/80/22/1071818022.db2.gz UCBVDJGLHJAZQQ-KRWDZBQOSA-N 1 1 438.598 0.975 20 0 ICADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001541625235 1071817709 /nfs/dbraw/zinc/81/77/09/1071817709.db2.gz UCBVDJGLHJAZQQ-QGZVFWFLSA-N 1 1 438.598 0.975 20 0 ICADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)CC1 ZINC001541625386 1071818049 /nfs/dbraw/zinc/81/80/49/1071818049.db2.gz WRIJEDDWRCCIQZ-DLBZAZTESA-N 1 1 427.571 0.516 20 0 ICADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)CC1 ZINC001541625389 1071817881 /nfs/dbraw/zinc/81/78/81/1071817881.db2.gz WRIJEDDWRCCIQZ-IAGOWNOFSA-N 1 1 427.571 0.516 20 0 ICADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001541625552 1071818207 /nfs/dbraw/zinc/81/82/07/1071818207.db2.gz ZYSASASWKRHYCZ-KRWDZBQOSA-N 1 1 426.525 0.692 20 0 ICADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001541625553 1071817862 /nfs/dbraw/zinc/81/78/62/1071817862.db2.gz ZYSASASWKRHYCZ-QGZVFWFLSA-N 1 1 426.525 0.692 20 0 ICADMO CC(C)[N@H+]1CCCN(c2nnc(CN3CCCC3=O)n2CCCS(C)(=O)=O)CC1 ZINC001541625570 1071818074 /nfs/dbraw/zinc/81/80/74/1071818074.db2.gz QVVCZQAIMIOAGU-UHFFFAOYSA-N 1 1 426.587 0.756 20 0 ICADMO CC(C)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001541627081 1071818173 /nfs/dbraw/zinc/81/81/73/1071818173.db2.gz AWRUBMJRQMSVOI-UHFFFAOYSA-N 1 1 433.601 0.891 20 0 ICADMO CC(C)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001541628415 1071819000 /nfs/dbraw/zinc/81/90/00/1071819000.db2.gz DDWUZPGRPJRRIC-MOPGFXCFSA-N 1 1 433.601 0.997 20 0 ICADMO CC(C)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001541628415 1071818993 /nfs/dbraw/zinc/81/89/93/1071818993.db2.gz DDWUZPGRPJRRIC-MOPGFXCFSA-N 1 1 433.601 0.997 20 0 ICADMO CC(C)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001541628416 1071818912 /nfs/dbraw/zinc/81/89/12/1071818912.db2.gz DDWUZPGRPJRRIC-OALUTQOASA-N 1 1 433.601 0.997 20 0 ICADMO CC(C)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001541628416 1071818900 /nfs/dbraw/zinc/81/89/00/1071818900.db2.gz DDWUZPGRPJRRIC-OALUTQOASA-N 1 1 433.601 0.997 20 0 ICADMO CC(C)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001541628417 1071818763 /nfs/dbraw/zinc/81/87/63/1071818763.db2.gz DDWUZPGRPJRRIC-RBUKOAKNSA-N 1 1 433.601 0.997 20 0 ICADMO CC(C)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001541628417 1071818751 /nfs/dbraw/zinc/81/87/51/1071818751.db2.gz DDWUZPGRPJRRIC-RBUKOAKNSA-N 1 1 433.601 0.997 20 0 ICADMO CC(C)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001541628418 1071819030 /nfs/dbraw/zinc/81/90/30/1071819030.db2.gz DDWUZPGRPJRRIC-RTBURBONSA-N 1 1 433.601 0.997 20 0 ICADMO CC(C)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001541628418 1071819023 /nfs/dbraw/zinc/81/90/23/1071819023.db2.gz DDWUZPGRPJRRIC-RTBURBONSA-N 1 1 433.601 0.997 20 0 ICADMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(c3nnc(C(C)(C)C)n3Cc3cnnn3C)CC2)C1 ZINC001541630511 1071819658 /nfs/dbraw/zinc/81/96/58/1071819658.db2.gz FZIKNIVANNIRDR-IBGZPJMESA-N 1 1 445.616 0.984 20 0 ICADMO 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CC(C)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCCC(=O)N(C)C ZINC001541656833 1071834473 /nfs/dbraw/zinc/83/44/73/1071834473.db2.gz RMCTUMKMOFVLFA-KRWDZBQOSA-N 1 1 435.573 0.443 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCCC(=O)N(C)C ZINC001541656834 1071834426 /nfs/dbraw/zinc/83/44/26/1071834426.db2.gz RMCTUMKMOFVLFA-QGZVFWFLSA-N 1 1 435.573 0.443 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1CCC[NH+]1CCOCC1 ZINC001541657738 1071834498 /nfs/dbraw/zinc/83/44/98/1071834498.db2.gz SMOXLQAMFFLPRI-KRWDZBQOSA-N 1 1 433.557 0.340 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1CCC[NH+]1CCOCC1 ZINC001541657739 1071834327 /nfs/dbraw/zinc/83/43/27/1071834327.db2.gz SMOXLQAMFFLPRI-QGZVFWFLSA-N 1 1 433.557 0.340 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CCCC[NH+]1CCOCC1 ZINC001541660946 1071838430 /nfs/dbraw/zinc/83/84/30/1071838430.db2.gz ONOIMPGKHVTSAH-NRFANRHFSA-N 1 1 433.557 0.388 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CCCC[NH+]1CCOCC1 ZINC001541660947 1071838312 /nfs/dbraw/zinc/83/83/12/1071838312.db2.gz ONOIMPGKHVTSAH-OAQYLSRUSA-N 1 1 433.557 0.388 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001541661270 1071838486 /nfs/dbraw/zinc/83/84/86/1071838486.db2.gz ZDCPTSUIYCCHSE-AWEZNQCLSA-N 1 1 446.556 0.420 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001541661271 1071838364 /nfs/dbraw/zinc/83/83/64/1071838364.db2.gz ZDCPTSUIYCCHSE-CQSZACIVSA-N 1 1 446.556 0.420 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001541663266 1071840252 /nfs/dbraw/zinc/84/02/52/1071840252.db2.gz HJVIBQRRZLYZKS-AWEZNQCLSA-N 1 1 428.541 0.555 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001541663267 1071840321 /nfs/dbraw/zinc/84/03/21/1071840321.db2.gz HJVIBQRRZLYZKS-CQSZACIVSA-N 1 1 428.541 0.555 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[C@H]3OC(=O)O[C@H]3C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001541663816 1071840699 /nfs/dbraw/zinc/84/06/99/1071840699.db2.gz RZJITYQPSONQQI-CVEARBPZSA-N 1 1 449.556 0.556 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@H]3C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001541663817 1071840811 /nfs/dbraw/zinc/84/08/11/1071840811.db2.gz RZJITYQPSONQQI-HOTGVXAUSA-N 1 1 449.556 0.556 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[C@H]3OC(=O)O[C@@H]3C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001541663818 1071840751 /nfs/dbraw/zinc/84/07/51/1071840751.db2.gz RZJITYQPSONQQI-HZPDHXFCSA-N 1 1 449.556 0.556 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@@H]3C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001541663819 1071840870 /nfs/dbraw/zinc/84/08/70/1071840870.db2.gz RZJITYQPSONQQI-JKSUJKDBSA-N 1 1 449.556 0.556 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541667781 1071842886 /nfs/dbraw/zinc/84/28/86/1071842886.db2.gz ZLTXUMJKTDJLAT-HRAATJIYSA-N 1 1 435.573 0.224 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541667782 1071842849 /nfs/dbraw/zinc/84/28/49/1071842849.db2.gz ZLTXUMJKTDJLAT-IERDGZPVSA-N 1 1 435.573 0.224 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541667783 1071842684 /nfs/dbraw/zinc/84/26/84/1071842684.db2.gz ZLTXUMJKTDJLAT-IIBYNOLFSA-N 1 1 435.573 0.224 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541667784 1071842648 /nfs/dbraw/zinc/84/26/48/1071842648.db2.gz ZLTXUMJKTDJLAT-KKSFZXQISA-N 1 1 435.573 0.224 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCC[C@H]2c2nncn2C)n1CC[NH+]1CCSCC1 ZINC001541669793 1071843392 /nfs/dbraw/zinc/84/33/92/1071843392.db2.gz UWNLFJRTUOBNCV-HNNXBMFYSA-N 1 1 433.586 0.935 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2nncn2C)n1CC[NH+]1CCSCC1 ZINC001541669794 1071843335 /nfs/dbraw/zinc/84/33/35/1071843335.db2.gz UWNLFJRTUOBNCV-OAHLLOKOSA-N 1 1 433.586 0.935 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCOCCS(C)(=O)=O ZINC001541670234 1071843440 /nfs/dbraw/zinc/84/34/40/1071843440.db2.gz JTOYTQGJPOIBKO-UHFFFAOYSA-N 1 1 444.602 0.398 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCn1cc(CO)nn1 ZINC001541670321 1071843990 /nfs/dbraw/zinc/84/39/90/1071843990.db2.gz MZUCPNLEZGENSS-UHFFFAOYSA-N 1 1 447.588 0.901 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCC(=O)N1CCOCC1 ZINC001541670415 1071844129 /nfs/dbraw/zinc/84/41/29/1071844129.db2.gz QPSPSYNSWLYIFU-UHFFFAOYSA-N 1 1 435.573 0.586 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCNS(C)(=O)=O ZINC001541670473 1071844270 /nfs/dbraw/zinc/84/42/70/1071844270.db2.gz SUMKGKBRYUZCSJ-UHFFFAOYSA-N 1 1 443.618 0.666 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCOC(C)C ZINC001541670739 1071844167 /nfs/dbraw/zinc/84/41/67/1071844167.db2.gz BVPVGEOCMUCATD-UHFFFAOYSA-N 1 1 449.600 0.976 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCOC(C)C ZINC001541670739 1071844159 /nfs/dbraw/zinc/84/41/59/1071844159.db2.gz BVPVGEOCMUCATD-UHFFFAOYSA-N 1 1 449.600 0.976 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CC1(O)CCC1 ZINC001541670819 1071844092 /nfs/dbraw/zinc/84/40/92/1071844092.db2.gz FXDXIIPOITXBJO-UHFFFAOYSA-N 1 1 447.584 0.466 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CC1(O)CCC1 ZINC001541670819 1071844080 /nfs/dbraw/zinc/84/40/80/1071844080.db2.gz FXDXIIPOITXBJO-UHFFFAOYSA-N 1 1 447.584 0.466 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1cnn(C)c1 ZINC001541670949 1071844202 /nfs/dbraw/zinc/84/42/02/1071844202.db2.gz JYHNKMMBOXYAGH-KRWDZBQOSA-N 1 1 430.557 0.747 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1ccn(C)n1 ZINC001541671025 1071844112 /nfs/dbraw/zinc/84/41/12/1071844112.db2.gz NLBCQPFBVULHKK-KRWDZBQOSA-N 1 1 430.557 0.747 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CCNC(=O)C1CC1 ZINC001541671092 1071844288 /nfs/dbraw/zinc/84/42/88/1071844288.db2.gz PTHWDPIUHPMZED-KRWDZBQOSA-N 1 1 447.584 0.491 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCS(C)(=O)=O ZINC001541671283 1071844747 /nfs/dbraw/zinc/84/47/47/1071844747.db2.gz XCIFPTZPMZRXIO-UHFFFAOYSA-N 1 1 426.587 0.916 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CC(=O)N1CCOCC1 ZINC001541671310 1071844799 /nfs/dbraw/zinc/84/47/99/1071844799.db2.gz XWQJRQKXWWECST-UHFFFAOYSA-N 1 1 447.584 0.730 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCCCCO ZINC001541671351 1071844713 /nfs/dbraw/zinc/84/47/13/1071844713.db2.gz YZUWJGDOAWSUAD-UHFFFAOYSA-N 1 1 449.600 0.713 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCCCCO ZINC001541671351 1071844704 /nfs/dbraw/zinc/84/47/04/1071844704.db2.gz YZUWJGDOAWSUAD-UHFFFAOYSA-N 1 1 449.600 0.713 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1Cc1nncn1C ZINC001541671699 1071844921 /nfs/dbraw/zinc/84/49/21/1071844921.db2.gz MJDZWVMEOMHTCN-MRXNPFEDSA-N 1 1 431.545 0.142 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(C)C)CC2)n1CC[NH+]1CCSCC1 ZINC001541671848 1071844729 /nfs/dbraw/zinc/84/47/29/1071844729.db2.gz QSIJOQQDTOHFSR-UHFFFAOYSA-N 1 1 437.614 0.770 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCCCCCO ZINC001541672325 1071845439 /nfs/dbraw/zinc/84/54/39/1071845439.db2.gz JEVRVGHCIJCJNA-GOSISDBHSA-N 1 1 449.600 0.712 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCCCCCO ZINC001541672326 1071845340 /nfs/dbraw/zinc/84/53/40/1071845340.db2.gz JEVRVGHCIJCJNA-SFHVURJKSA-N 1 1 449.600 0.712 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1Cc1nccs1 ZINC001541672567 1071846219 /nfs/dbraw/zinc/84/62/19/1071846219.db2.gz SBBHLEMYFFUXAG-HNNXBMFYSA-N 1 1 446.581 0.664 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1Cc1nccs1 ZINC001541672568 1071846349 /nfs/dbraw/zinc/84/63/49/1071846349.db2.gz SBBHLEMYFFUXAG-OAHLLOKOSA-N 1 1 446.581 0.664 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CC1(O)CCCC1 ZINC001541672683 1071846146 /nfs/dbraw/zinc/84/61/46/1071846146.db2.gz WIHDXEDPAONKBY-KRWDZBQOSA-N 1 1 447.584 0.464 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CC1(O)CCCC1 ZINC001541672684 1071846074 /nfs/dbraw/zinc/84/60/74/1071846074.db2.gz WIHDXEDPAONKBY-QGZVFWFLSA-N 1 1 447.584 0.464 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541674628 1071848315 /nfs/dbraw/zinc/84/83/15/1071848315.db2.gz HOFARHQYMSANEH-JOCHJYFZSA-N 1 1 427.553 0.810 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541674629 1071848485 /nfs/dbraw/zinc/84/84/85/1071848485.db2.gz HOFARHQYMSANEH-QFIPXVFZSA-N 1 1 427.553 0.810 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001541675324 1071849099 /nfs/dbraw/zinc/84/90/99/1071849099.db2.gz HXXNTSVSUHHVND-KRWDZBQOSA-N 1 1 447.584 0.728 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001541675325 1071848983 /nfs/dbraw/zinc/84/89/83/1071848983.db2.gz HXXNTSVSUHHVND-QGZVFWFLSA-N 1 1 447.584 0.728 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541675788 1071849860 /nfs/dbraw/zinc/84/98/60/1071849860.db2.gz XRWULTGVUUVJSF-JOCHJYFZSA-N 1 1 447.584 0.464 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541675789 1071849592 /nfs/dbraw/zinc/84/95/92/1071849592.db2.gz XRWULTGVUUVJSF-QFIPXVFZSA-N 1 1 447.584 0.464 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCC[N@@H+](C)C(C)C ZINC001541675905 1071850550 /nfs/dbraw/zinc/85/05/50/1071850550.db2.gz ARQJMKREFNZBRF-UHFFFAOYSA-N 1 1 436.605 0.357 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C[C@@H]1COCCO1 ZINC001541676037 1071850586 /nfs/dbraw/zinc/85/05/86/1071850586.db2.gz GDLHBJIPYKYEOU-SJLPKXTDSA-N 1 1 436.557 0.521 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCN(CC(F)F)CC2)n1CCCC[NH+]1CCOCC1 ZINC001541676192 1071850289 /nfs/dbraw/zinc/85/02/89/1071850289.db2.gz LJLFVPGZOCAHBT-UHFFFAOYSA-N 1 1 443.543 0.916 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1Cc1nncn1C ZINC001541676939 1071851811 /nfs/dbraw/zinc/85/18/11/1071851811.db2.gz KQUBKBLHPKJKNM-UHFFFAOYSA-N 1 1 429.554 0.977 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCCc1cnn(C)n1 ZINC001541677334 1071851889 /nfs/dbraw/zinc/85/18/89/1071851889.db2.gz XEBJGIFDBAWNNI-GOSISDBHSA-N 1 1 445.572 0.479 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCCc1cnn(C)n1 ZINC001541677335 1071851990 /nfs/dbraw/zinc/85/19/90/1071851990.db2.gz XEBJGIFDBAWNNI-SFHVURJKSA-N 1 1 445.572 0.479 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CC(=O)N(C)C ZINC001541677491 1071852050 /nfs/dbraw/zinc/85/20/50/1071852050.db2.gz BUBQWCRONDWEAF-HDICACEKSA-N 1 1 448.616 0.499 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001541677528 1071851934 /nfs/dbraw/zinc/85/19/34/1071851934.db2.gz COONZOJOEWGDPY-ZWKOTPCHSA-N 1 1 438.573 0.503 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001541677902 1071853273 /nfs/dbraw/zinc/85/32/73/1071853273.db2.gz MLGAGCQXMHLVIN-BBWFWOEESA-N 1 1 449.556 0.556 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001541677903 1071853139 /nfs/dbraw/zinc/85/31/39/1071853139.db2.gz MLGAGCQXMHLVIN-IXDOHACOSA-N 1 1 449.556 0.556 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001541678104 1071853334 /nfs/dbraw/zinc/85/33/34/1071853334.db2.gz QTLIYBZPSSWWQV-NRFANRHFSA-N 1 1 435.573 0.442 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@@]1(C)CN(C)C1=O ZINC001541678105 1071853204 /nfs/dbraw/zinc/85/32/04/1071853204.db2.gz QTLIYBZPSSWWQV-OAQYLSRUSA-N 1 1 435.573 0.442 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001541678206 1071853924 /nfs/dbraw/zinc/85/39/24/1071853924.db2.gz UFTVHUNJMADLPU-DLBZAZTESA-N 1 1 432.573 0.895 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001541678207 1071853795 /nfs/dbraw/zinc/85/37/95/1071853795.db2.gz UFTVHUNJMADLPU-IAGOWNOFSA-N 1 1 432.573 0.895 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001541678208 1071853879 /nfs/dbraw/zinc/85/38/79/1071853879.db2.gz UFTVHUNJMADLPU-IRXDYDNUSA-N 1 1 432.573 0.895 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001541678209 1071853705 /nfs/dbraw/zinc/85/37/05/1071853705.db2.gz UFTVHUNJMADLPU-SJORKVTESA-N 1 1 432.573 0.895 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCC(=O)N1CCCCCC1 ZINC001541678648 1071854629 /nfs/dbraw/zinc/85/46/29/1071854629.db2.gz FZLHJKOGYHAODL-GOSISDBHSA-N 1 1 447.584 0.730 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCC(=O)N1CCCCCC1 ZINC001541678648 1071854621 /nfs/dbraw/zinc/85/46/21/1071854621.db2.gz FZLHJKOGYHAODL-GOSISDBHSA-N 1 1 447.584 0.730 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCC(=O)N1CCCCCC1 ZINC001541678649 1071854416 /nfs/dbraw/zinc/85/44/16/1071854416.db2.gz FZLHJKOGYHAODL-SFHVURJKSA-N 1 1 447.584 0.730 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCC(=O)N1CCCCCC1 ZINC001541678649 1071854407 /nfs/dbraw/zinc/85/44/07/1071854407.db2.gz FZLHJKOGYHAODL-SFHVURJKSA-N 1 1 447.584 0.730 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCN(C)CC(F)(F)F ZINC001541678774 1071854703 /nfs/dbraw/zinc/85/47/03/1071854703.db2.gz IPPZFAZZOBRVRG-AWEZNQCLSA-N 1 1 433.479 0.431 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCN(C)CC(F)(F)F ZINC001541678774 1071854698 /nfs/dbraw/zinc/85/46/98/1071854698.db2.gz IPPZFAZZOBRVRG-AWEZNQCLSA-N 1 1 433.479 0.431 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCN(C)CC(F)(F)F ZINC001541678775 1071854567 /nfs/dbraw/zinc/85/45/67/1071854567.db2.gz IPPZFAZZOBRVRG-CQSZACIVSA-N 1 1 433.479 0.431 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCN(C)CC(F)(F)F ZINC001541678775 1071854554 /nfs/dbraw/zinc/85/45/54/1071854554.db2.gz IPPZFAZZOBRVRG-CQSZACIVSA-N 1 1 433.479 0.431 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCc1cccc(C(N)=O)c1 ZINC001541678989 1071854382 /nfs/dbraw/zinc/85/43/82/1071854382.db2.gz OFCNIDHRNRLAFW-GOSISDBHSA-N 1 1 441.536 0.279 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCc1cccc(C(N)=O)c1 ZINC001541678989 1071854371 /nfs/dbraw/zinc/85/43/71/1071854371.db2.gz OFCNIDHRNRLAFW-GOSISDBHSA-N 1 1 441.536 0.279 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCc1cccc(C(N)=O)c1 ZINC001541678990 1071854463 /nfs/dbraw/zinc/85/44/63/1071854463.db2.gz OFCNIDHRNRLAFW-SFHVURJKSA-N 1 1 441.536 0.279 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCc1cccc(C(N)=O)c1 ZINC001541678990 1071854458 /nfs/dbraw/zinc/85/44/58/1071854458.db2.gz OFCNIDHRNRLAFW-SFHVURJKSA-N 1 1 441.536 0.279 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC(F)(F)Br ZINC001541679110 1071855295 /nfs/dbraw/zinc/85/52/95/1071855295.db2.gz QQIWBGQRHLIQHA-LLVKDONJSA-N 1 1 437.289 0.925 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC(F)(F)Br ZINC001541679110 1071855287 /nfs/dbraw/zinc/85/52/87/1071855287.db2.gz QQIWBGQRHLIQHA-LLVKDONJSA-N 1 1 437.289 0.925 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC(F)(F)Br ZINC001541679111 1071854988 /nfs/dbraw/zinc/85/49/88/1071854988.db2.gz QQIWBGQRHLIQHA-NSHDSACASA-N 1 1 437.289 0.925 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC(F)(F)Br ZINC001541679111 1071854975 /nfs/dbraw/zinc/85/49/75/1071854975.db2.gz QQIWBGQRHLIQHA-NSHDSACASA-N 1 1 437.289 0.925 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC(=O)NC1CCCCC1 ZINC001541679141 1071855201 /nfs/dbraw/zinc/85/52/01/1071855201.db2.gz RPIIIKFRYZAWJH-KRWDZBQOSA-N 1 1 433.557 0.386 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC(=O)NC1CCCCC1 ZINC001541679141 1071855186 /nfs/dbraw/zinc/85/51/86/1071855186.db2.gz RPIIIKFRYZAWJH-KRWDZBQOSA-N 1 1 433.557 0.386 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC(=O)NC1CCCCC1 ZINC001541679142 1071855321 /nfs/dbraw/zinc/85/53/21/1071855321.db2.gz RPIIIKFRYZAWJH-QGZVFWFLSA-N 1 1 433.557 0.386 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC(=O)NC1CCCCC1 ZINC001541679142 1071855315 /nfs/dbraw/zinc/85/53/15/1071855315.db2.gz RPIIIKFRYZAWJH-QGZVFWFLSA-N 1 1 433.557 0.386 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CC1CCS(=O)(=O)CC1 ZINC001541679225 1071855364 /nfs/dbraw/zinc/85/53/64/1071855364.db2.gz UONVXORNUMQGPY-KRWDZBQOSA-N 1 1 438.598 0.916 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CC1CCS(=O)(=O)CC1 ZINC001541679226 1071855231 /nfs/dbraw/zinc/85/52/31/1071855231.db2.gz UONVXORNUMQGPY-QGZVFWFLSA-N 1 1 438.598 0.916 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001541679446 1071855148 /nfs/dbraw/zinc/85/51/48/1071855148.db2.gz ZXCRHVABTYOSTD-AVRDEDQJSA-N 1 1 446.527 0.984 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001541679446 1071855141 /nfs/dbraw/zinc/85/51/41/1071855141.db2.gz ZXCRHVABTYOSTD-AVRDEDQJSA-N 1 1 446.527 0.984 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001541679447 1071855343 /nfs/dbraw/zinc/85/53/43/1071855343.db2.gz ZXCRHVABTYOSTD-GCJKJVERSA-N 1 1 446.527 0.984 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001541679447 1071855336 /nfs/dbraw/zinc/85/53/36/1071855336.db2.gz ZXCRHVABTYOSTD-GCJKJVERSA-N 1 1 446.527 0.984 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001541679448 1071855911 /nfs/dbraw/zinc/85/59/11/1071855911.db2.gz ZXCRHVABTYOSTD-PGRDOPGGSA-N 1 1 446.527 0.984 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001541679448 1071855906 /nfs/dbraw/zinc/85/59/06/1071855906.db2.gz ZXCRHVABTYOSTD-PGRDOPGGSA-N 1 1 446.527 0.984 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001541679449 1071855997 /nfs/dbraw/zinc/85/59/97/1071855997.db2.gz ZXCRHVABTYOSTD-XMSQKQJNSA-N 1 1 446.527 0.984 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001541679449 1071855995 /nfs/dbraw/zinc/85/59/95/1071855995.db2.gz ZXCRHVABTYOSTD-XMSQKQJNSA-N 1 1 446.527 0.984 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCO[C@@H](Cn3cccn3)C2)n1CC[N@@H+]1CC=CCC1 ZINC001541681564 1071856446 /nfs/dbraw/zinc/85/64/46/1071856446.db2.gz TXVDFSDHBHEISI-GOSISDBHSA-N 1 1 428.541 0.780 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCO[C@H](Cn3cccn3)C2)n1CC[N@@H+]1CC=CCC1 ZINC001541681565 1071856255 /nfs/dbraw/zinc/85/62/55/1071856255.db2.gz TXVDFSDHBHEISI-SFHVURJKSA-N 1 1 428.541 0.780 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCS(=O)(=O)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001541683379 1071857708 /nfs/dbraw/zinc/85/77/08/1071857708.db2.gz NADDKSAURLJION-INIZCTEOSA-N 1 1 442.586 0.152 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCS(=O)(=O)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001541683379 1071857696 /nfs/dbraw/zinc/85/76/96/1071857696.db2.gz NADDKSAURLJION-INIZCTEOSA-N 1 1 442.586 0.152 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCS(=O)(=O)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001541683380 1071858708 /nfs/dbraw/zinc/85/87/08/1071858708.db2.gz NADDKSAURLJION-MRXNPFEDSA-N 1 1 442.586 0.152 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCS(=O)(=O)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001541683380 1071858706 /nfs/dbraw/zinc/85/87/06/1071858706.db2.gz NADDKSAURLJION-MRXNPFEDSA-N 1 1 442.586 0.152 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001541683584 1071858614 /nfs/dbraw/zinc/85/86/14/1071858614.db2.gz RSLBUWBBAWVCOT-KRWDZBQOSA-N 1 1 430.600 0.088 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001541683585 1071858757 /nfs/dbraw/zinc/85/87/57/1071858757.db2.gz RSLBUWBBAWVCOT-QGZVFWFLSA-N 1 1 430.600 0.088 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCS(=O)(=O)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001541683767 1071858504 /nfs/dbraw/zinc/85/85/04/1071858504.db2.gz XWGMUVQXSSBQMC-UHFFFAOYSA-N 1 1 426.587 0.916 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001541683936 1071858741 /nfs/dbraw/zinc/85/87/41/1071858741.db2.gz BXINGZKUGZEXFF-KURKYZTESA-N 1 1 447.584 0.226 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001541683937 1071858648 /nfs/dbraw/zinc/85/86/48/1071858648.db2.gz BXINGZKUGZEXFF-SQNIBIBYSA-N 1 1 447.584 0.226 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CCC[NH+]1CCOCC1 ZINC001541685250 1071859112 /nfs/dbraw/zinc/85/91/12/1071859112.db2.gz ZLHQTQLGGNEXFD-SJORKVTESA-N 1 1 433.557 0.101 20 0 ICADMO CC(C)NC(=O)c1nnc(Nc2cnn(C)c2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001541685483 1071859857 /nfs/dbraw/zinc/85/98/57/1071859857.db2.gz HAYFBLIZGSWPGK-INIZCTEOSA-N 1 1 431.545 0.836 20 0 ICADMO CC(C)NC(=O)c1nnc(Nc2cnn(C)c2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001541685484 1071859896 /nfs/dbraw/zinc/85/98/96/1071859896.db2.gz HAYFBLIZGSWPGK-MRXNPFEDSA-N 1 1 431.545 0.836 20 0 ICADMO CC(C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001541685662 1071860062 /nfs/dbraw/zinc/86/00/62/1071860062.db2.gz MLMJCMJFJVCERJ-UHFFFAOYSA-N 1 1 449.600 0.976 20 0 ICADMO CC(C)NC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001541688162 1071860753 /nfs/dbraw/zinc/86/07/53/1071860753.db2.gz QLTZCOXNDOWWDZ-KRWDZBQOSA-N 1 1 430.557 0.752 20 0 ICADMO CC(C)NC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001541688163 1071860921 /nfs/dbraw/zinc/86/09/21/1071860921.db2.gz QLTZCOXNDOWWDZ-QGZVFWFLSA-N 1 1 430.557 0.752 20 0 ICADMO CC(C)NC(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001541688354 1071861488 /nfs/dbraw/zinc/86/14/88/1071861488.db2.gz YGQZWYHQPQDDNZ-AEFFLSMTSA-N 1 1 428.541 0.807 20 0 ICADMO CC(C)NC(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001541688355 1071861649 /nfs/dbraw/zinc/86/16/49/1071861649.db2.gz YGQZWYHQPQDDNZ-FUHWJXTLSA-N 1 1 428.541 0.807 20 0 ICADMO CC(C)NC(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001541688356 1071861560 /nfs/dbraw/zinc/86/15/60/1071861560.db2.gz YGQZWYHQPQDDNZ-SJLPKXTDSA-N 1 1 428.541 0.807 20 0 ICADMO CC(C)NC(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001541688357 1071861428 /nfs/dbraw/zinc/86/14/28/1071861428.db2.gz YGQZWYHQPQDDNZ-WMZOPIPTSA-N 1 1 428.541 0.807 20 0 ICADMO CC(C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001541688561 1071861638 /nfs/dbraw/zinc/86/16/38/1071861638.db2.gz CXLXXMLLZPQGSP-BBWFWOEESA-N 1 1 435.573 0.689 20 0 ICADMO CC(C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001541688561 1071861634 /nfs/dbraw/zinc/86/16/34/1071861634.db2.gz CXLXXMLLZPQGSP-BBWFWOEESA-N 1 1 435.573 0.689 20 0 ICADMO CC(C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001541688562 1071861586 /nfs/dbraw/zinc/86/15/86/1071861586.db2.gz CXLXXMLLZPQGSP-IXDOHACOSA-N 1 1 435.573 0.689 20 0 ICADMO CC(C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001541688562 1071861579 /nfs/dbraw/zinc/86/15/79/1071861579.db2.gz CXLXXMLLZPQGSP-IXDOHACOSA-N 1 1 435.573 0.689 20 0 ICADMO CC(C)NC(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001541690679 1071862860 /nfs/dbraw/zinc/86/28/60/1071862860.db2.gz KYEKKTGFILUHJE-GOSISDBHSA-N 1 1 431.585 0.888 20 0 ICADMO CC(C)NC(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001541690680 1071862980 /nfs/dbraw/zinc/86/29/80/1071862980.db2.gz KYEKKTGFILUHJE-SFHVURJKSA-N 1 1 431.585 0.888 20 0 ICADMO CC(C)NC(=O)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001541691534 1071863333 /nfs/dbraw/zinc/86/33/33/1071863333.db2.gz OJJPMIWGHIWLIJ-INIZCTEOSA-N 1 1 428.541 0.934 20 0 ICADMO CC(C)NC(=O)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001541691535 1071863524 /nfs/dbraw/zinc/86/35/24/1071863524.db2.gz OJJPMIWGHIWLIJ-MRXNPFEDSA-N 1 1 428.541 0.934 20 0 ICADMO CC(C)NC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001541696755 1071864492 /nfs/dbraw/zinc/86/44/92/1071864492.db2.gz ICACIONGMBOGJY-UHFFFAOYSA-N 1 1 449.600 0.833 20 0 ICADMO CC(C)NC(=O)CN(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)[NH+]1CCOCC1 ZINC001541697027 1071865475 /nfs/dbraw/zinc/86/54/75/1071865475.db2.gz SNXHHUSKNUONEC-UHFFFAOYSA-N 1 1 435.573 0.472 20 0 ICADMO CC(C)NC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001541697150 1071865459 /nfs/dbraw/zinc/86/54/59/1071865459.db2.gz XNXHIXZVECBTOE-NRFANRHFSA-N 1 1 433.557 0.340 20 0 ICADMO CC(C)NC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001541697151 1071865348 /nfs/dbraw/zinc/86/53/48/1071865348.db2.gz XNXHIXZVECBTOE-OAQYLSRUSA-N 1 1 433.557 0.340 20 0 ICADMO CC(C)NC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001541697336 1071865325 /nfs/dbraw/zinc/86/53/25/1071865325.db2.gz FFCFPUKISABBHY-MRXNPFEDSA-N 1 1 435.573 0.630 20 0 ICADMO CC(C)NC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001541699628 1071866658 /nfs/dbraw/zinc/86/66/58/1071866658.db2.gz AQBFDIXZALRORC-UHFFFAOYSA-N 1 1 438.540 0.706 20 0 ICADMO CC(C)NC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001541699763 1071866613 /nfs/dbraw/zinc/86/66/13/1071866613.db2.gz GONXNXFYIYNLAC-MRXNPFEDSA-N 1 1 430.557 0.893 20 0 ICADMO CC(C)NC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001541700215 1071866757 /nfs/dbraw/zinc/86/67/57/1071866757.db2.gz VJRSCVOBGPFUTK-QGZVFWFLSA-N 1 1 428.541 0.808 20 0 ICADMO CC(C)NC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001541701080 1071868083 /nfs/dbraw/zinc/86/80/83/1071868083.db2.gz PFVCLTLMUGVSCF-NVXWUHKLSA-N 1 1 433.557 0.443 20 0 ICADMO CC(C)NC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001541701081 1071868383 /nfs/dbraw/zinc/86/83/83/1071868383.db2.gz PFVCLTLMUGVSCF-WBVHZDCISA-N 1 1 433.557 0.443 20 0 ICADMO CC(C)NC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001541702483 1071869747 /nfs/dbraw/zinc/86/97/47/1071869747.db2.gz HJQIBGXTMUXSAC-NRFANRHFSA-N 1 1 433.557 0.226 20 0 ICADMO CC(C)NC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001541702484 1071869667 /nfs/dbraw/zinc/86/96/67/1071869667.db2.gz HJQIBGXTMUXSAC-OAQYLSRUSA-N 1 1 433.557 0.226 20 0 ICADMO CC(C)NC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001541702728 1071869791 /nfs/dbraw/zinc/86/97/91/1071869791.db2.gz QKOQFDRUZOTCML-UHFFFAOYSA-N 1 1 435.573 0.472 20 0 ICADMO CC(C)NC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001541702728 1071869784 /nfs/dbraw/zinc/86/97/84/1071869784.db2.gz QKOQFDRUZOTCML-UHFFFAOYSA-N 1 1 435.573 0.472 20 0 ICADMO CC(C)NC(=O)CN1CCN(c2nnc(C3CCCC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001541704658 1071871057 /nfs/dbraw/zinc/87/10/57/1071871057.db2.gz CTCFQHCUYKCRKC-JOCHJYFZSA-N 1 1 433.601 0.649 20 0 ICADMO CC(C)NC(=O)CN1CCN(c2nnc(C3CCCC3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001541704659 1071870897 /nfs/dbraw/zinc/87/08/97/1071870897.db2.gz CTCFQHCUYKCRKC-QFIPXVFZSA-N 1 1 433.601 0.649 20 0 ICADMO CC(C)NC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001541704854 1071871594 /nfs/dbraw/zinc/87/15/94/1071871594.db2.gz JFSFXUAXNGTRCG-MSOLQXFVSA-N 1 1 446.600 0.360 20 0 ICADMO CC(C)NC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001541704855 1071871731 /nfs/dbraw/zinc/87/17/31/1071871731.db2.gz JFSFXUAXNGTRCG-QZTJIDSGSA-N 1 1 446.600 0.360 20 0 ICADMO CC(C)NC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001541704856 1071871650 /nfs/dbraw/zinc/87/16/50/1071871650.db2.gz JFSFXUAXNGTRCG-ROUUACIJSA-N 1 1 446.600 0.360 20 0 ICADMO CC(C)NC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001541704857 1071871492 /nfs/dbraw/zinc/87/14/92/1071871492.db2.gz JFSFXUAXNGTRCG-ZWKOTPCHSA-N 1 1 446.600 0.360 20 0 ICADMO CC(C)NC(=O)CN1CCN(c2nnc(C3CCC3)n2CCC[NH+]2CCOCC2)CC1 ZINC001541704965 1071872166 /nfs/dbraw/zinc/87/21/66/1071872166.db2.gz MLGVRBDTCJMFDA-UHFFFAOYSA-N 1 1 433.601 0.915 20 0 ICADMO CC(C)NC(=O)CN1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001541705266 1071872239 /nfs/dbraw/zinc/87/22/39/1071872239.db2.gz WOZSFWASDFCXPM-GOSISDBHSA-N 1 1 443.600 0.810 20 0 ICADMO CC(C)NC(=O)CN1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001541705267 1071872389 /nfs/dbraw/zinc/87/23/89/1071872389.db2.gz WOZSFWASDFCXPM-SFHVURJKSA-N 1 1 443.600 0.810 20 0 ICADMO CC(C)NC(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001541705707 1071873019 /nfs/dbraw/zinc/87/30/19/1071873019.db2.gz NHPGMASBHXHWEB-IBGZPJMESA-N 1 1 431.585 0.691 20 0 ICADMO CC(C)NC(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001541705708 1071873114 /nfs/dbraw/zinc/87/31/14/1071873114.db2.gz NHPGMASBHXHWEB-LJQANCHMSA-N 1 1 431.585 0.691 20 0 ICADMO CC(C)NS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001541712911 1071876994 /nfs/dbraw/zinc/87/69/94/1071876994.db2.gz LGZQNFUWRUTPHP-GOSISDBHSA-N 1 1 440.614 0.859 20 0 ICADMO CC(C)NS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001541712911 1071876991 /nfs/dbraw/zinc/87/69/91/1071876991.db2.gz LGZQNFUWRUTPHP-GOSISDBHSA-N 1 1 440.614 0.859 20 0 ICADMO CC(C)NS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001541712912 1071876956 /nfs/dbraw/zinc/87/69/56/1071876956.db2.gz LGZQNFUWRUTPHP-SFHVURJKSA-N 1 1 440.614 0.859 20 0 ICADMO CC(C)NS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001541712912 1071876951 /nfs/dbraw/zinc/87/69/51/1071876951.db2.gz LGZQNFUWRUTPHP-SFHVURJKSA-N 1 1 440.614 0.859 20 0 ICADMO CC(C)O[C@]1(c2nnc(N(C)CCc3cnccn3)n2C[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001541720311 1071878160 /nfs/dbraw/zinc/87/81/60/1071878160.db2.gz ZZUUYPMDDFIWGB-FCHUYYIVSA-N 1 1 445.568 0.854 20 0 ICADMO CC(C)O[C@]1(c2nnc(N(C)CCc3cnccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001541720312 1071878216 /nfs/dbraw/zinc/87/82/16/1071878216.db2.gz ZZUUYPMDDFIWGB-FGZHOGPDSA-N 1 1 445.568 0.854 20 0 ICADMO CC(C)O[C@@]1(c2nnc(N(C)CCc3cnccn3)n2C[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001541720313 1071878060 /nfs/dbraw/zinc/87/80/60/1071878060.db2.gz ZZUUYPMDDFIWGB-VXKWHMMOSA-N 1 1 445.568 0.854 20 0 ICADMO CC(C)O[C@@]1(c2nnc(N(C)CCc3cnccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001541720314 1071878079 /nfs/dbraw/zinc/87/80/79/1071878079.db2.gz ZZUUYPMDDFIWGB-YADHBBJMSA-N 1 1 445.568 0.854 20 0 ICADMO CC(C)OCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001541757785 1071885727 /nfs/dbraw/zinc/88/57/27/1071885727.db2.gz JPARJIKPZYFFSE-GOSISDBHSA-N 1 1 447.584 0.682 20 0 ICADMO CC(C)OCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001541757786 1071885818 /nfs/dbraw/zinc/88/58/18/1071885818.db2.gz JPARJIKPZYFFSE-SFHVURJKSA-N 1 1 447.584 0.682 20 0 ICADMO CC(C)OCC[NH+]1CCN(c2nnc(C(C)C)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001541764237 1071887634 /nfs/dbraw/zinc/88/76/34/1071887634.db2.gz AUIJUVAZBMVTEX-UHFFFAOYSA-N 1 1 443.614 0.888 20 0 ICADMO CC(C)OCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2[C@@H]2C[C@H]2CF)CC1 ZINC001541764347 1071887617 /nfs/dbraw/zinc/88/76/17/1071887617.db2.gz DZPAGYCYQVPZRF-HRCADAONSA-N 1 1 432.566 0.966 20 0 ICADMO CC(C)OCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2[C@@H]2C[C@H]2CF)CC1 ZINC001541764348 1071887796 /nfs/dbraw/zinc/88/77/96/1071887796.db2.gz DZPAGYCYQVPZRF-OWCLPIDISA-N 1 1 432.566 0.966 20 0 ICADMO CC(C)OCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2COCCO2)CC1 ZINC001541764835 1071887861 /nfs/dbraw/zinc/88/78/61/1071887861.db2.gz SWDLAXHYPXBXEQ-SFHVURJKSA-N 1 1 436.557 0.477 20 0 ICADMO CC(C)OCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)C2CC2)CC1 ZINC001541764900 1071887893 /nfs/dbraw/zinc/88/78/93/1071887893.db2.gz VOXJKYCOEYPORE-UHFFFAOYSA-N 1 1 447.584 0.587 20 0 ICADMO CC(C)OCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2cnn(C)n2)CC1 ZINC001541765800 1071887810 /nfs/dbraw/zinc/88/78/10/1071887810.db2.gz AUDUFIJIXLHYCY-GOSISDBHSA-N 1 1 445.572 0.538 20 0 ICADMO CC(C)OCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCc2cnn(C)n2)CC1 ZINC001541765801 1071887736 /nfs/dbraw/zinc/88/77/36/1071887736.db2.gz AUDUFIJIXLHYCY-SFHVURJKSA-N 1 1 445.572 0.538 20 0 ICADMO CC(C)OCC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001541765938 1071887830 /nfs/dbraw/zinc/88/78/30/1071887830.db2.gz FFIIZBCNKUQYRB-KRWDZBQOSA-N 1 1 446.556 0.482 20 0 ICADMO CC(C)OCC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001541765939 1071887712 /nfs/dbraw/zinc/88/77/12/1071887712.db2.gz FFIIZBCNKUQYRB-QGZVFWFLSA-N 1 1 446.556 0.482 20 0 ICADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccccn3)n2Cc2ncn(C)n2)CC1 ZINC001541765940 1071887662 /nfs/dbraw/zinc/88/76/62/1071887662.db2.gz FGNFXABOYWOYBU-UHFFFAOYSA-N 1 1 425.541 0.988 20 0 ICADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccncc3)n2Cc2cnnn2C)CC1 ZINC001541766420 1071888629 /nfs/dbraw/zinc/88/86/29/1071888629.db2.gz SYBPPJXTQYMCRA-UHFFFAOYSA-N 1 1 425.541 0.988 20 0 ICADMO CC(C)OCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)C2CC2)CC1 ZINC001541766486 1071888588 /nfs/dbraw/zinc/88/85/88/1071888588.db2.gz VUOMGJAECGLGNH-KRWDZBQOSA-N 1 1 433.557 0.302 20 0 ICADMO CC(C)OCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)C2CC2)CC1 ZINC001541766487 1071888494 /nfs/dbraw/zinc/88/84/94/1071888494.db2.gz VUOMGJAECGLGNH-QGZVFWFLSA-N 1 1 433.557 0.302 20 0 ICADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(O)CCOC2)CC1 ZINC001541766583 1071888426 /nfs/dbraw/zinc/88/84/26/1071888426.db2.gz YMUUVUYHSDVIHG-JOCHJYFZSA-N 1 1 430.553 0.962 20 0 ICADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(O)CCOC2)CC1 ZINC001541766584 1071888371 /nfs/dbraw/zinc/88/83/71/1071888371.db2.gz YMUUVUYHSDVIHG-QFIPXVFZSA-N 1 1 430.553 0.962 20 0 ICADMO C[C@@H](CC(N)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001541807879 1071891092 /nfs/dbraw/zinc/89/10/92/1071891092.db2.gz PVGXWEUAXQISLZ-KRWDZBQOSA-N 1 1 448.616 0.488 20 0 ICADMO C[C@H](CC(N)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001541807880 1071891216 /nfs/dbraw/zinc/89/12/16/1071891216.db2.gz PVGXWEUAXQISLZ-QGZVFWFLSA-N 1 1 448.616 0.488 20 0 ICADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2cccn2C)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001541809647 1071891757 /nfs/dbraw/zinc/89/17/57/1071891757.db2.gz AZHRGFIHLYVGCY-AEFFLSMTSA-N 1 1 444.584 0.926 20 0 ICADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccn2C)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001541809648 1071891826 /nfs/dbraw/zinc/89/18/26/1071891826.db2.gz AZHRGFIHLYVGCY-FUHWJXTLSA-N 1 1 444.584 0.926 20 0 ICADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2cccn2C)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001541809649 1071891739 /nfs/dbraw/zinc/89/17/39/1071891739.db2.gz AZHRGFIHLYVGCY-SJLPKXTDSA-N 1 1 444.584 0.926 20 0 ICADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccn2C)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001541809650 1071891722 /nfs/dbraw/zinc/89/17/22/1071891722.db2.gz AZHRGFIHLYVGCY-WMZOPIPTSA-N 1 1 444.584 0.926 20 0 ICADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccccn2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001541809767 1071891881 /nfs/dbraw/zinc/89/18/81/1071891881.db2.gz DDKWZTRENBNBKQ-AEFFLSMTSA-N 1 1 442.568 0.983 20 0 ICADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccccn2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001541809768 1071892685 /nfs/dbraw/zinc/89/26/85/1071892685.db2.gz DDKWZTRENBNBKQ-FUHWJXTLSA-N 1 1 442.568 0.983 20 0 ICADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccccn2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001541809769 1071892541 /nfs/dbraw/zinc/89/25/41/1071892541.db2.gz DDKWZTRENBNBKQ-SJLPKXTDSA-N 1 1 442.568 0.983 20 0 ICADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccccn2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001541809770 1071892496 /nfs/dbraw/zinc/89/24/96/1071892496.db2.gz DDKWZTRENBNBKQ-WMZOPIPTSA-N 1 1 442.568 0.983 20 0 ICADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2noc3c2COCC3)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001541811655 1071893358 /nfs/dbraw/zinc/89/33/58/1071893358.db2.gz RMVUTZVXQSNBBN-AWEZNQCLSA-N 1 1 447.540 0.817 20 0 ICADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2noc3c2COCC3)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001541811655 1071893344 /nfs/dbraw/zinc/89/33/44/1071893344.db2.gz RMVUTZVXQSNBBN-AWEZNQCLSA-N 1 1 447.540 0.817 20 0 ICADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2noc3c2COCC3)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001541811656 1071893292 /nfs/dbraw/zinc/89/32/92/1071893292.db2.gz RMVUTZVXQSNBBN-CQSZACIVSA-N 1 1 447.540 0.817 20 0 ICADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2noc3c2COCC3)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001541811656 1071893279 /nfs/dbraw/zinc/89/32/79/1071893279.db2.gz RMVUTZVXQSNBBN-CQSZACIVSA-N 1 1 447.540 0.817 20 0 ICADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541811685 1071893220 /nfs/dbraw/zinc/89/32/20/1071893220.db2.gz SDEQQWAAVJMATC-AOMKIAJQSA-N 1 1 438.536 0.898 20 0 ICADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541811686 1071893158 /nfs/dbraw/zinc/89/31/58/1071893158.db2.gz SDEQQWAAVJMATC-KSFYIVLOSA-N 1 1 438.536 0.898 20 0 ICADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541811687 1071893310 /nfs/dbraw/zinc/89/33/10/1071893310.db2.gz SDEQQWAAVJMATC-OPAMFIHVSA-N 1 1 438.536 0.898 20 0 ICADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541811688 1071893229 /nfs/dbraw/zinc/89/32/29/1071893229.db2.gz SDEQQWAAVJMATC-ZHRRBRCNSA-N 1 1 438.536 0.898 20 0 ICADMO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001541812609 1071893866 /nfs/dbraw/zinc/89/38/66/1071893866.db2.gz HYQPOBXGKQJSQY-BFYDXBDKSA-N 1 1 438.598 0.897 20 0 ICADMO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001541812609 1071893859 /nfs/dbraw/zinc/89/38/59/1071893859.db2.gz HYQPOBXGKQJSQY-BFYDXBDKSA-N 1 1 438.598 0.897 20 0 ICADMO C[C@H](CC(N)=O)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001541812610 1071893828 /nfs/dbraw/zinc/89/38/28/1071893828.db2.gz HYQPOBXGKQJSQY-HLLBOEOZSA-N 1 1 438.598 0.897 20 0 ICADMO C[C@H](CC(N)=O)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001541812610 1071893819 /nfs/dbraw/zinc/89/38/19/1071893819.db2.gz HYQPOBXGKQJSQY-HLLBOEOZSA-N 1 1 438.598 0.897 20 0 ICADMO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001541812611 1071894096 /nfs/dbraw/zinc/89/40/96/1071894096.db2.gz HYQPOBXGKQJSQY-INMHGKMJSA-N 1 1 438.598 0.897 20 0 ICADMO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001541812611 1071894093 /nfs/dbraw/zinc/89/40/93/1071894093.db2.gz HYQPOBXGKQJSQY-INMHGKMJSA-N 1 1 438.598 0.897 20 0 ICADMO C[C@H](CC(N)=O)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001541812612 1071894027 /nfs/dbraw/zinc/89/40/27/1071894027.db2.gz HYQPOBXGKQJSQY-VYDXJSESSA-N 1 1 438.598 0.897 20 0 ICADMO C[C@H](CC(N)=O)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001541812612 1071894016 /nfs/dbraw/zinc/89/40/16/1071894016.db2.gz HYQPOBXGKQJSQY-VYDXJSESSA-N 1 1 438.598 0.897 20 0 ICADMO C[C@H](CC(N)=O)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001541812955 1071893990 /nfs/dbraw/zinc/89/39/90/1071893990.db2.gz MNTLBXMSLAGFAC-ILXRZTDVSA-N 1 1 435.554 0.339 20 0 ICADMO C[C@H](CC(N)=O)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001541812956 1071894058 /nfs/dbraw/zinc/89/40/58/1071894058.db2.gz MNTLBXMSLAGFAC-KFWWJZLASA-N 1 1 435.554 0.339 20 0 ICADMO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001541812957 1071893888 /nfs/dbraw/zinc/89/38/88/1071893888.db2.gz MNTLBXMSLAGFAC-QLFBSQMISA-N 1 1 435.554 0.339 20 0 ICADMO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001541812958 1071894648 /nfs/dbraw/zinc/89/46/48/1071894648.db2.gz MNTLBXMSLAGFAC-RBSFLKMASA-N 1 1 435.554 0.339 20 0 ICADMO C[C@@H](CC(N)=O)N(C)c1nnc(Cc2ccccn2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001541814561 1071895067 /nfs/dbraw/zinc/89/50/67/1071895067.db2.gz QTYSVQOUWCKEOQ-KRWDZBQOSA-N 1 1 428.585 0.990 20 0 ICADMO C[C@@H](CC(N)=O)N(C)c1nnc(Cc2ccccn2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001541814561 1071895052 /nfs/dbraw/zinc/89/50/52/1071895052.db2.gz QTYSVQOUWCKEOQ-KRWDZBQOSA-N 1 1 428.585 0.990 20 0 ICADMO C[C@@H](CC(N)=O)N(C)c1nnc(Cc2ccccn2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001541814561 1071895041 /nfs/dbraw/zinc/89/50/41/1071895041.db2.gz QTYSVQOUWCKEOQ-KRWDZBQOSA-N 1 1 428.585 0.990 20 0 ICADMO C[C@H](CC(N)=O)N(C)c1nnc(Cc2ccccn2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001541814562 1071895178 /nfs/dbraw/zinc/89/51/78/1071895178.db2.gz QTYSVQOUWCKEOQ-QGZVFWFLSA-N 1 1 428.585 0.990 20 0 ICADMO C[C@H](CC(N)=O)N(C)c1nnc(Cc2ccccn2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001541814562 1071895173 /nfs/dbraw/zinc/89/51/73/1071895173.db2.gz QTYSVQOUWCKEOQ-QGZVFWFLSA-N 1 1 428.585 0.990 20 0 ICADMO C[C@H](CC(N)=O)N(C)c1nnc(Cc2ccccn2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001541814562 1071895164 /nfs/dbraw/zinc/89/51/64/1071895164.db2.gz QTYSVQOUWCKEOQ-QGZVFWFLSA-N 1 1 428.585 0.990 20 0 ICADMO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001541833681 1071895776 /nfs/dbraw/zinc/89/57/76/1071895776.db2.gz JWRWZGRAUDFSSM-KRWDZBQOSA-N 1 1 425.537 0.971 20 0 ICADMO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001541833682 1071895608 /nfs/dbraw/zinc/89/56/08/1071895608.db2.gz JWRWZGRAUDFSSM-QGZVFWFLSA-N 1 1 425.537 0.971 20 0 ICADMO C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001541840089 1071896313 /nfs/dbraw/zinc/89/63/13/1071896313.db2.gz CNICNCGLYLGSFS-KRWDZBQOSA-N 1 1 434.566 0.747 20 0 ICADMO C[C@H](Cn1c(-c2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001541840090 1071896339 /nfs/dbraw/zinc/89/63/39/1071896339.db2.gz CNICNCGLYLGSFS-QGZVFWFLSA-N 1 1 434.566 0.747 20 0 ICADMO C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC(OCC(N)=O)CC1)[NH+]1CCOCC1 ZINC001541841803 1071896393 /nfs/dbraw/zinc/89/63/93/1071896393.db2.gz KEFFUQRNLCXGCD-INIZCTEOSA-N 1 1 431.541 0.475 20 0 ICADMO C[C@H](Cn1c(-c2cccn2C)nnc1N1CCC(OCC(N)=O)CC1)[NH+]1CCOCC1 ZINC001541841804 1071896444 /nfs/dbraw/zinc/89/64/44/1071896444.db2.gz KEFFUQRNLCXGCD-MRXNPFEDSA-N 1 1 431.541 0.475 20 0 ICADMO CC(C)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001541855159 1071898932 /nfs/dbraw/zinc/89/89/32/1071898932.db2.gz DVBHQJDOQQCHEX-DLBZAZTESA-N 1 1 443.618 0.092 20 0 ICADMO CC(C)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001541855160 1071899918 /nfs/dbraw/zinc/89/99/18/1071899918.db2.gz DVBHQJDOQQCHEX-IAGOWNOFSA-N 1 1 443.618 0.092 20 0 ICADMO CC(C)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001541855161 1071899641 /nfs/dbraw/zinc/89/96/41/1071899641.db2.gz DVBHQJDOQQCHEX-IRXDYDNUSA-N 1 1 443.618 0.092 20 0 ICADMO CC(C)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001541855162 1071899412 /nfs/dbraw/zinc/89/94/12/1071899412.db2.gz DVBHQJDOQQCHEX-SJORKVTESA-N 1 1 443.618 0.092 20 0 ICADMO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1)[N@@H+](C)C1CC1 ZINC001541855339 1071899570 /nfs/dbraw/zinc/89/95/70/1071899570.db2.gz HPLVHQAWYIYVKZ-JHNDHUHGSA-N 1 1 444.577 0.888 20 0 ICADMO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1)[N@@H+](C)C1CC1 ZINC001541855340 1071899478 /nfs/dbraw/zinc/89/94/78/1071899478.db2.gz HPLVHQAWYIYVKZ-OHFALNGGSA-N 1 1 444.577 0.888 20 0 ICADMO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1)[N@@H+](C)C1CC1 ZINC001541855341 1071899735 /nfs/dbraw/zinc/89/97/35/1071899735.db2.gz HPLVHQAWYIYVKZ-TXCZRRACSA-N 1 1 444.577 0.888 20 0 ICADMO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1)[N@@H+](C)C1CC1 ZINC001541855342 1071899859 /nfs/dbraw/zinc/89/98/59/1071899859.db2.gz HPLVHQAWYIYVKZ-YQFWSFKMSA-N 1 1 444.577 0.888 20 0 ICADMO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1)[N@@H+](C)C1CC1 ZINC001541855529 1071899810 /nfs/dbraw/zinc/89/98/10/1071899810.db2.gz JSXDBBGUVRHDDR-PBHICJAKSA-N 1 1 426.587 0.940 20 0 ICADMO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1)[N@@H+](C)C1CC1 ZINC001541855530 1071899760 /nfs/dbraw/zinc/89/97/60/1071899760.db2.gz JSXDBBGUVRHDDR-RHSMWYFYSA-N 1 1 426.587 0.940 20 0 ICADMO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1)[N@@H+](C)C1CC1 ZINC001541855531 1071899543 /nfs/dbraw/zinc/89/95/43/1071899543.db2.gz JSXDBBGUVRHDDR-WMLDXEAASA-N 1 1 426.587 0.940 20 0 ICADMO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1)[N@@H+](C)C1CC1 ZINC001541855532 1071899700 /nfs/dbraw/zinc/89/97/00/1071899700.db2.gz JSXDBBGUVRHDDR-YOEHRIQHSA-N 1 1 426.587 0.940 20 0 ICADMO C[C@@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCNC(=O)C1)[NH+](C)C ZINC001541864127 1071901529 /nfs/dbraw/zinc/90/15/29/1071901529.db2.gz PFYVILXWIZQSNQ-IBGZPJMESA-N 1 1 440.596 0.529 20 0 ICADMO C[C@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCNC(=O)C1)[NH+](C)C ZINC001541864128 1071901380 /nfs/dbraw/zinc/90/13/80/1071901380.db2.gz PFYVILXWIZQSNQ-LJQANCHMSA-N 1 1 440.596 0.529 20 0 ICADMO C[C@@H](Cn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C(C)(C)C)[N@@H+](C)C1CC1 ZINC001541868403 1071901933 /nfs/dbraw/zinc/90/19/33/1071901933.db2.gz WCBDCWYWENTIBH-HNNXBMFYSA-N 1 1 431.585 0.986 20 0 ICADMO C[C@H](Cn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C(C)(C)C)[N@@H+](C)C1CC1 ZINC001541868404 1071901943 /nfs/dbraw/zinc/90/19/43/1071901943.db2.gz WCBDCWYWENTIBH-OAHLLOKOSA-N 1 1 431.585 0.986 20 0 ICADMO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSCC1)C[NH+]1CCOCC1 ZINC001541878423 1071903115 /nfs/dbraw/zinc/90/31/15/1071903115.db2.gz AVDUEQFNVMGVBO-CABCVRRESA-N 1 1 432.616 0.410 20 0 ICADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSCC1)C[NH+]1CCOCC1 ZINC001541878424 1071903132 /nfs/dbraw/zinc/90/31/32/1071903132.db2.gz AVDUEQFNVMGVBO-GJZGRUSLSA-N 1 1 432.616 0.410 20 0 ICADMO C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSCC1)C[NH+]1CCOCC1 ZINC001541878425 1071902906 /nfs/dbraw/zinc/90/29/06/1071902906.db2.gz AVDUEQFNVMGVBO-HUUCEWRRSA-N 1 1 432.616 0.410 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001541878426 1071903037 /nfs/dbraw/zinc/90/30/37/1071903037.db2.gz AVDUEQFNVMGVBO-LSDHHAIUSA-N 1 1 432.616 0.410 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001541878619 1071902956 /nfs/dbraw/zinc/90/29/56/1071902956.db2.gz FWVRMRJIOGCVDX-HRAATJIYSA-N 1 1 433.557 0.244 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001541878620 1071903166 /nfs/dbraw/zinc/90/31/66/1071903166.db2.gz FWVRMRJIOGCVDX-IERDGZPVSA-N 1 1 433.557 0.244 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001541878621 1071902923 /nfs/dbraw/zinc/90/29/23/1071902923.db2.gz FWVRMRJIOGCVDX-IIBYNOLFSA-N 1 1 433.557 0.244 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001541878622 1071903018 /nfs/dbraw/zinc/90/30/18/1071903018.db2.gz FWVRMRJIOGCVDX-KKSFZXQISA-N 1 1 433.557 0.244 20 0 ICADMO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)C1)C[NH+]1CCOCC1 ZINC001541878655 1071903001 /nfs/dbraw/zinc/90/30/01/1071903001.db2.gz GQNIJOSYFHDWRI-CVEARBPZSA-N 1 1 444.602 0.472 20 0 ICADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)C1)C[NH+]1CCOCC1 ZINC001541878656 1071902935 /nfs/dbraw/zinc/90/29/35/1071902935.db2.gz GQNIJOSYFHDWRI-HOTGVXAUSA-N 1 1 444.602 0.472 20 0 ICADMO C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)C1)C[NH+]1CCOCC1 ZINC001541878657 1071903152 /nfs/dbraw/zinc/90/31/52/1071903152.db2.gz GQNIJOSYFHDWRI-HZPDHXFCSA-N 1 1 444.602 0.472 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC(C)(C)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001541878658 1071903057 /nfs/dbraw/zinc/90/30/57/1071903057.db2.gz GQNIJOSYFHDWRI-JKSUJKDBSA-N 1 1 444.602 0.472 20 0 ICADMO CC(C)C(=O)NCCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001541879089 1071903718 /nfs/dbraw/zinc/90/37/18/1071903718.db2.gz OJRDFQVBHRHICR-GOSISDBHSA-N 1 1 449.600 0.691 20 0 ICADMO CC(C)C(=O)NCCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001541879090 1071903690 /nfs/dbraw/zinc/90/36/90/1071903690.db2.gz OJRDFQVBHRHICR-SFHVURJKSA-N 1 1 449.600 0.691 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001541879497 1071903618 /nfs/dbraw/zinc/90/36/18/1071903618.db2.gz VCYPELLEJUJTFI-MWDXBVQZSA-N 1 1 444.602 0.470 20 0 ICADMO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCOCC1 ZINC001541879498 1071903682 /nfs/dbraw/zinc/90/36/82/1071903682.db2.gz VCYPELLEJUJTFI-NCOADZHNSA-N 1 1 444.602 0.470 20 0 ICADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCOCC1 ZINC001541879499 1071903559 /nfs/dbraw/zinc/90/35/59/1071903559.db2.gz VCYPELLEJUJTFI-NXOAAHMSSA-N 1 1 444.602 0.470 20 0 ICADMO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](C)C1)C[NH+]1CCOCC1 ZINC001541879500 1071903573 /nfs/dbraw/zinc/90/35/73/1071903573.db2.gz VCYPELLEJUJTFI-QZWWFDLISA-N 1 1 444.602 0.470 20 0 ICADMO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](C)C1)C[NH+]1CCOCC1 ZINC001541879501 1071903674 /nfs/dbraw/zinc/90/36/74/1071903674.db2.gz VCYPELLEJUJTFI-VQHPVUNQSA-N 1 1 444.602 0.470 20 0 ICADMO C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCOCC1 ZINC001541879502 1071903732 /nfs/dbraw/zinc/90/37/32/1071903732.db2.gz VCYPELLEJUJTFI-WCXIOVBPSA-N 1 1 444.602 0.470 20 0 ICADMO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CCc1cnccn1)C[NH+]1CCOCC1 ZINC001541879533 1071903661 /nfs/dbraw/zinc/90/36/61/1071903661.db2.gz VSFRYTOOSYOYSH-GOSISDBHSA-N 1 1 442.568 0.951 20 0 ICADMO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CCc1cnccn1)C[NH+]1CCOCC1 ZINC001541879534 1071903704 /nfs/dbraw/zinc/90/37/04/1071903704.db2.gz VSFRYTOOSYOYSH-SFHVURJKSA-N 1 1 442.568 0.951 20 0 ICADMO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)NC(C)(C)C)C[NH+]1CCOCC1 ZINC001541880199 1071904219 /nfs/dbraw/zinc/90/42/19/1071904219.db2.gz IRXWVJJACSJSFJ-CVEARBPZSA-N 1 1 435.573 0.548 20 0 ICADMO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)NC(C)(C)C)C[NH+]1CCOCC1 ZINC001541880200 1071904264 /nfs/dbraw/zinc/90/42/64/1071904264.db2.gz IRXWVJJACSJSFJ-HOTGVXAUSA-N 1 1 435.573 0.548 20 0 ICADMO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)NC(C)(C)C)C[NH+]1CCOCC1 ZINC001541880201 1071904149 /nfs/dbraw/zinc/90/41/49/1071904149.db2.gz IRXWVJJACSJSFJ-HZPDHXFCSA-N 1 1 435.573 0.548 20 0 ICADMO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)NC(C)(C)C)C[NH+]1CCOCC1 ZINC001541880202 1071904114 /nfs/dbraw/zinc/90/41/14/1071904114.db2.gz IRXWVJJACSJSFJ-JKSUJKDBSA-N 1 1 435.573 0.548 20 0 ICADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001541891781 1071907180 /nfs/dbraw/zinc/90/71/80/1071907180.db2.gz PMSVSXYWPQZSPA-BRWVUGGUSA-N 1 1 429.587 0.498 20 0 ICADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001541891782 1071907146 /nfs/dbraw/zinc/90/71/46/1071907146.db2.gz PMSVSXYWPQZSPA-IKGGRYGDSA-N 1 1 429.587 0.498 20 0 ICADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCOC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001541891783 1071907058 /nfs/dbraw/zinc/90/70/58/1071907058.db2.gz PMSVSXYWPQZSPA-IXDOHACOSA-N 1 1 429.587 0.498 20 0 ICADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001541891784 1071907076 /nfs/dbraw/zinc/90/70/76/1071907076.db2.gz PMSVSXYWPQZSPA-ZACQAIPSSA-N 1 1 429.587 0.498 20 0 ICADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001541894628 1071908643 /nfs/dbraw/zinc/90/86/43/1071908643.db2.gz XRHJVWHIOCYUFR-CVEARBPZSA-N 1 1 449.581 0.729 20 0 ICADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001541894629 1071908569 /nfs/dbraw/zinc/90/85/69/1071908569.db2.gz XRHJVWHIOCYUFR-HOTGVXAUSA-N 1 1 449.581 0.729 20 0 ICADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001541894630 1071908591 /nfs/dbraw/zinc/90/85/91/1071908591.db2.gz XRHJVWHIOCYUFR-HZPDHXFCSA-N 1 1 449.581 0.729 20 0 ICADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001541894631 1071908627 /nfs/dbraw/zinc/90/86/27/1071908627.db2.gz XRHJVWHIOCYUFR-JKSUJKDBSA-N 1 1 449.581 0.729 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2ccco2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541905831 1071909159 /nfs/dbraw/zinc/90/91/59/1071909159.db2.gz ACKQXAQVPGXKNQ-DEYYWGMASA-N 1 1 426.543 0.745 20 0 ICADMO C[C@H](c1ccco1)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541905832 1071909126 /nfs/dbraw/zinc/90/91/26/1071909126.db2.gz ACKQXAQVPGXKNQ-IYOUNJFTSA-N 1 1 426.543 0.745 20 0 ICADMO C[C@H](c1ccco1)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541905833 1071909024 /nfs/dbraw/zinc/90/90/24/1071909024.db2.gz ACKQXAQVPGXKNQ-PMUMKWKESA-N 1 1 426.543 0.745 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2ccco2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541905834 1071909061 /nfs/dbraw/zinc/90/90/61/1071909061.db2.gz ACKQXAQVPGXKNQ-SUNYJGFJSA-N 1 1 426.543 0.745 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCOC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001541908141 1071910130 /nfs/dbraw/zinc/91/01/30/1071910130.db2.gz JOSHVAXGUFGUSN-CABCVRRESA-N 1 1 430.575 0.224 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCOC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001541908142 1071910097 /nfs/dbraw/zinc/91/00/97/1071910097.db2.gz JOSHVAXGUFGUSN-GJZGRUSLSA-N 1 1 430.575 0.224 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCOC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001541908143 1071910040 /nfs/dbraw/zinc/91/00/40/1071910040.db2.gz JOSHVAXGUFGUSN-HUUCEWRRSA-N 1 1 430.575 0.224 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCOC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001541908144 1071909993 /nfs/dbraw/zinc/90/99/93/1071909993.db2.gz JOSHVAXGUFGUSN-LSDHHAIUSA-N 1 1 430.575 0.224 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCSC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001541909777 1071911083 /nfs/dbraw/zinc/91/10/83/1071911083.db2.gz LFHLRJPTGPCOEM-ARFHVFGLSA-N 1 1 446.643 0.677 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCSC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001541909778 1071911030 /nfs/dbraw/zinc/91/10/30/1071911030.db2.gz LFHLRJPTGPCOEM-HRCADAONSA-N 1 1 446.643 0.677 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCSC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001541909779 1071911136 /nfs/dbraw/zinc/91/11/36/1071911136.db2.gz LFHLRJPTGPCOEM-JYJNAYRXSA-N 1 1 446.643 0.677 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCSC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001541909780 1071911482 /nfs/dbraw/zinc/91/14/82/1071911482.db2.gz LFHLRJPTGPCOEM-XHSDSOJGSA-N 1 1 446.643 0.677 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC(C)(C)O ZINC001541909927 1071911572 /nfs/dbraw/zinc/91/15/72/1071911572.db2.gz NOMBEYMAKFFHPB-HNNXBMFYSA-N 1 1 446.618 0.454 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC(C)(C)O ZINC001541909928 1071911619 /nfs/dbraw/zinc/91/16/19/1071911619.db2.gz NOMBEYMAKFFHPB-OAHLLOKOSA-N 1 1 446.618 0.454 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(F)(F)F)n1C[C@H]1CCC[N@H+]1CCCO ZINC001541910139 1071911592 /nfs/dbraw/zinc/91/15/92/1071911592.db2.gz QUMWIGQWNLBGIX-CHWSQXEVSA-N 1 1 442.508 0.734 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(F)(F)F)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001541910140 1071911677 /nfs/dbraw/zinc/91/16/77/1071911677.db2.gz QUMWIGQWNLBGIX-OLZOCXBDSA-N 1 1 442.508 0.734 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(F)(F)F)n1C[C@H]1CCC[N@H+]1CCCO ZINC001541910141 1071911548 /nfs/dbraw/zinc/91/15/48/1071911548.db2.gz QUMWIGQWNLBGIX-QWHCGFSZSA-N 1 1 442.508 0.734 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(F)(F)F)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001541910142 1071911493 /nfs/dbraw/zinc/91/14/93/1071911493.db2.gz QUMWIGQWNLBGIX-STQMWFEESA-N 1 1 442.508 0.734 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCOC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001541910399 1071912070 /nfs/dbraw/zinc/91/20/70/1071912070.db2.gz WKFOUMYYRZZFMG-CABCVRRESA-N 1 1 430.575 0.224 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCOC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001541910399 1071912067 /nfs/dbraw/zinc/91/20/67/1071912067.db2.gz WKFOUMYYRZZFMG-CABCVRRESA-N 1 1 430.575 0.224 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCOC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001541910400 1071912117 /nfs/dbraw/zinc/91/21/17/1071912117.db2.gz WKFOUMYYRZZFMG-GJZGRUSLSA-N 1 1 430.575 0.224 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCOC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001541910400 1071912114 /nfs/dbraw/zinc/91/21/14/1071912114.db2.gz WKFOUMYYRZZFMG-GJZGRUSLSA-N 1 1 430.575 0.224 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCOC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001541910401 1071912082 /nfs/dbraw/zinc/91/20/82/1071912082.db2.gz WKFOUMYYRZZFMG-HUUCEWRRSA-N 1 1 430.575 0.224 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCOC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001541910401 1071912078 /nfs/dbraw/zinc/91/20/78/1071912078.db2.gz WKFOUMYYRZZFMG-HUUCEWRRSA-N 1 1 430.575 0.224 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCOC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001541910402 1071912100 /nfs/dbraw/zinc/91/21/00/1071912100.db2.gz WKFOUMYYRZZFMG-LSDHHAIUSA-N 1 1 430.575 0.224 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCOC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001541910402 1071912096 /nfs/dbraw/zinc/91/20/96/1071912096.db2.gz WKFOUMYYRZZFMG-LSDHHAIUSA-N 1 1 430.575 0.224 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(F)c2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541911399 1071912599 /nfs/dbraw/zinc/91/25/99/1071912599.db2.gz PHYGCGLTVDGTOP-AUUYWEPGSA-N 1 1 440.545 0.730 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(F)c2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541911400 1071912521 /nfs/dbraw/zinc/91/25/21/1071912521.db2.gz PHYGCGLTVDGTOP-IFXJQAMLSA-N 1 1 440.545 0.730 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(F)c2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541911401 1071912607 /nfs/dbraw/zinc/91/26/07/1071912607.db2.gz PHYGCGLTVDGTOP-KUHUBIRLSA-N 1 1 440.545 0.730 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(F)c2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541911402 1071912645 /nfs/dbraw/zinc/91/26/45/1071912645.db2.gz PHYGCGLTVDGTOP-LIRRHRJNSA-N 1 1 440.545 0.730 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccon2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001541914415 1071914493 /nfs/dbraw/zinc/91/44/93/1071914493.db2.gz WPMAZZMRZFWNAX-AWEZNQCLSA-N 1 1 441.558 0.624 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccon2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001541914415 1071914490 /nfs/dbraw/zinc/91/44/90/1071914490.db2.gz WPMAZZMRZFWNAX-AWEZNQCLSA-N 1 1 441.558 0.624 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccon2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001541914416 1071914447 /nfs/dbraw/zinc/91/44/47/1071914447.db2.gz WPMAZZMRZFWNAX-CQSZACIVSA-N 1 1 441.558 0.624 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccon2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001541914416 1071914444 /nfs/dbraw/zinc/91/44/44/1071914444.db2.gz WPMAZZMRZFWNAX-CQSZACIVSA-N 1 1 441.558 0.624 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@H]2CCOC2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001541915039 1071914517 /nfs/dbraw/zinc/91/45/17/1071914517.db2.gz IYQPWARJKXNKGG-ARFHVFGLSA-N 1 1 437.570 0.820 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@H]2CCOC2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001541915040 1071914566 /nfs/dbraw/zinc/91/45/66/1071914566.db2.gz IYQPWARJKXNKGG-HRCADAONSA-N 1 1 437.570 0.820 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H]2CCOC2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001541915041 1071914477 /nfs/dbraw/zinc/91/44/77/1071914477.db2.gz IYQPWARJKXNKGG-JYJNAYRXSA-N 1 1 437.570 0.820 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H]2CCOC2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001541915042 1071914429 /nfs/dbraw/zinc/91/44/29/1071914429.db2.gz IYQPWARJKXNKGG-XHSDSOJGSA-N 1 1 437.570 0.820 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCC(F)(F)F)n1CCC[NH+]1CCOCC1 ZINC001541915369 1071914952 /nfs/dbraw/zinc/91/49/52/1071914952.db2.gz ORUFBVUZMHIORQ-CYBMUJFWSA-N 1 1 442.508 0.999 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCC(F)(F)F)n1CCC[NH+]1CCOCC1 ZINC001541915370 1071914963 /nfs/dbraw/zinc/91/49/63/1071914963.db2.gz ORUFBVUZMHIORQ-ZDUSSCGKSA-N 1 1 442.508 0.999 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(F)(F)F ZINC001541916217 1071915901 /nfs/dbraw/zinc/91/59/01/1071915901.db2.gz CSQJBOADFXFHMT-FRRDWIJNSA-N 1 1 442.508 0.996 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(F)(F)F ZINC001541916217 1071915899 /nfs/dbraw/zinc/91/58/99/1071915899.db2.gz CSQJBOADFXFHMT-FRRDWIJNSA-N 1 1 442.508 0.996 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(F)(F)F ZINC001541916218 1071915874 /nfs/dbraw/zinc/91/58/74/1071915874.db2.gz CSQJBOADFXFHMT-XQQFMLRXSA-N 1 1 442.508 0.996 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(F)(F)F ZINC001541916218 1071915870 /nfs/dbraw/zinc/91/58/70/1071915870.db2.gz CSQJBOADFXFHMT-XQQFMLRXSA-N 1 1 442.508 0.996 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1(C)COC1 ZINC001541916787 1071916850 /nfs/dbraw/zinc/91/68/50/1071916850.db2.gz OLYBMWQRYBURFY-OWCLPIDISA-N 1 1 444.602 0.470 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1(C)COC1 ZINC001541916787 1071916844 /nfs/dbraw/zinc/91/68/44/1071916844.db2.gz OLYBMWQRYBURFY-OWCLPIDISA-N 1 1 444.602 0.470 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1(C)COC1 ZINC001541916788 1071916886 /nfs/dbraw/zinc/91/68/86/1071916886.db2.gz OLYBMWQRYBURFY-XHSDSOJGSA-N 1 1 444.602 0.470 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1(C)COC1 ZINC001541916788 1071916881 /nfs/dbraw/zinc/91/68/81/1071916881.db2.gz OLYBMWQRYBURFY-XHSDSOJGSA-N 1 1 444.602 0.470 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCn2cccn2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001541916805 1071916870 /nfs/dbraw/zinc/91/68/70/1071916870.db2.gz OUAISQCPLOXASG-CVEARBPZSA-N 1 1 436.586 0.706 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCn2cccn2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001541916806 1071916799 /nfs/dbraw/zinc/91/67/99/1071916799.db2.gz OUAISQCPLOXASG-HOTGVXAUSA-N 1 1 436.586 0.706 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCn2cccn2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001541916807 1071916908 /nfs/dbraw/zinc/91/69/08/1071916908.db2.gz OUAISQCPLOXASG-HZPDHXFCSA-N 1 1 436.586 0.706 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCn2cccn2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001541916808 1071916831 /nfs/dbraw/zinc/91/68/31/1071916831.db2.gz OUAISQCPLOXASG-JKSUJKDBSA-N 1 1 436.586 0.706 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(CC2CC2)CC2CCC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541917971 1071917769 /nfs/dbraw/zinc/91/77/69/1071917769.db2.gz LVVDFYHZJWZDEJ-FOIQADDNSA-N 1 1 440.614 0.971 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(CC2CC2)CC2CCC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541917972 1071917806 /nfs/dbraw/zinc/91/78/06/1071917806.db2.gz LVVDFYHZJWZDEJ-MGPUTAFESA-N 1 1 440.614 0.971 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(CC2CC2)CC2CCC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541917973 1071917876 /nfs/dbraw/zinc/91/78/76/1071917876.db2.gz LVVDFYHZJWZDEJ-QRWLVFNGSA-N 1 1 440.614 0.971 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(CC2CC2)CC2CCC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541917974 1071917889 /nfs/dbraw/zinc/91/78/89/1071917889.db2.gz LVVDFYHZJWZDEJ-YWZLYKJASA-N 1 1 440.614 0.971 20 0 ICADMO CC(C)[N@@H+](C)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001541918423 1071918413 /nfs/dbraw/zinc/91/84/13/1071918413.db2.gz SXNSJAPGYPMGBD-CABCVRRESA-N 1 1 429.591 0.286 20 0 ICADMO CC(C)[N@@H+](C)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001541918424 1071918451 /nfs/dbraw/zinc/91/84/51/1071918451.db2.gz SXNSJAPGYPMGBD-GJZGRUSLSA-N 1 1 429.591 0.286 20 0 ICADMO CC(C)[N@@H+](C)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001541918425 1071918334 /nfs/dbraw/zinc/91/83/34/1071918334.db2.gz SXNSJAPGYPMGBD-HUUCEWRRSA-N 1 1 429.591 0.286 20 0 ICADMO CC(C)[N@@H+](C)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001541918426 1071918372 /nfs/dbraw/zinc/91/83/72/1071918372.db2.gz SXNSJAPGYPMGBD-LSDHHAIUSA-N 1 1 429.591 0.286 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1[C@@H]1C[C@H]1CF ZINC001541919021 1071918841 /nfs/dbraw/zinc/91/88/41/1071918841.db2.gz CEUNTXLZJJJWBN-CWVYHPPDSA-N 1 1 430.550 0.576 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1[C@@H]1C[C@H]1CF ZINC001541919022 1071918815 /nfs/dbraw/zinc/91/88/15/1071918815.db2.gz CEUNTXLZJJJWBN-GVRJEKJASA-N 1 1 430.550 0.576 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1[C@@H]1C[C@H]1CF ZINC001541919023 1071918867 /nfs/dbraw/zinc/91/88/67/1071918867.db2.gz CEUNTXLZJJJWBN-LYYZXLFJSA-N 1 1 430.550 0.576 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1[C@@H]1C[C@H]1CF ZINC001541919024 1071918884 /nfs/dbraw/zinc/91/88/84/1071918884.db2.gz CEUNTXLZJJJWBN-RFBLXINOSA-N 1 1 430.550 0.576 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001541921297 1071919913 /nfs/dbraw/zinc/91/99/13/1071919913.db2.gz NHDCFAVXVZAYLD-PMRDEQMMSA-N 1 1 428.603 0.826 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001541921298 1071920471 /nfs/dbraw/zinc/92/04/71/1071920471.db2.gz NHDCFAVXVZAYLD-VPSFDDGASA-N 1 1 428.603 0.826 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CCc1ccn(C)n1 ZINC001541921721 1071920509 /nfs/dbraw/zinc/92/05/09/1071920509.db2.gz VSIOIYKBRWBKPO-HLLBOEOZSA-N 1 1 436.586 0.537 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CCc1ccn(C)n1 ZINC001541921722 1071920435 /nfs/dbraw/zinc/92/04/35/1071920435.db2.gz VSIOIYKBRWBKPO-VYDXJSESSA-N 1 1 436.586 0.537 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CCc1ccn(C)n1 ZINC001541921723 1071920345 /nfs/dbraw/zinc/92/03/45/1071920345.db2.gz VSIOIYKBRWBKPO-YQQAZPJKSA-N 1 1 436.586 0.537 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CCc1ccn(C)n1 ZINC001541921724 1071920294 /nfs/dbraw/zinc/92/02/94/1071920294.db2.gz VSIOIYKBRWBKPO-ZOBUZTSGSA-N 1 1 436.586 0.537 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CC1([S@](C)=O)CC1 ZINC001541921867 1071920376 /nfs/dbraw/zinc/92/03/76/1071920376.db2.gz YMFCEWSZQPCSBF-BRJAGZCNSA-N 1 1 444.627 0.472 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CC1([S@@](C)=O)CC1 ZINC001541921868 1071920412 /nfs/dbraw/zinc/92/04/12/1071920412.db2.gz YMFCEWSZQPCSBF-GODCIGNGSA-N 1 1 444.627 0.472 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CC1([S@](C)=O)CC1 ZINC001541921869 1071920356 /nfs/dbraw/zinc/92/03/56/1071920356.db2.gz YMFCEWSZQPCSBF-IRTSYGHZSA-N 1 1 444.627 0.472 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CC1([S@@](C)=O)CC1 ZINC001541921870 1071920323 /nfs/dbraw/zinc/92/03/23/1071920323.db2.gz YMFCEWSZQPCSBF-VSGQTLMKSA-N 1 1 444.627 0.472 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1CC[N@H+]1CCC[C@@H]1C ZINC001541921915 1071920483 /nfs/dbraw/zinc/92/04/83/1071920483.db2.gz ZDBVMUMSIZCMCP-IIQAOJFUSA-N 1 1 440.614 0.970 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1CC[N@H+]1CCC[C@@H]1C ZINC001541921916 1071920528 /nfs/dbraw/zinc/92/05/28/1071920528.db2.gz ZDBVMUMSIZCMCP-SZNINPNASA-N 1 1 440.614 0.970 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1CC[N@H+]1CCC[C@H]1C ZINC001541921917 1071920392 /nfs/dbraw/zinc/92/03/92/1071920392.db2.gz ZDBVMUMSIZCMCP-VQVIJEGRSA-N 1 1 440.614 0.970 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1CC[N@H+]1CCC[C@H]1C ZINC001541921918 1071920942 /nfs/dbraw/zinc/92/09/42/1071920942.db2.gz ZDBVMUMSIZCMCP-WXCOAYGQSA-N 1 1 440.614 0.970 20 0 ICADMO CC(C)[N@@H+](C)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(N)=O)CC1 ZINC001541922269 1071921024 /nfs/dbraw/zinc/92/10/24/1071921024.db2.gz GGILTSVFVKAPDB-AWEZNQCLSA-N 1 1 429.591 0.320 20 0 ICADMO CC(C)[N@@H+](C)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(N)=O)CC1 ZINC001541922270 1071921043 /nfs/dbraw/zinc/92/10/43/1071921043.db2.gz GGILTSVFVKAPDB-CQSZACIVSA-N 1 1 429.591 0.320 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCCCCO ZINC001541924079 1071922383 /nfs/dbraw/zinc/92/23/83/1071922383.db2.gz IJMBLUOLNKKCRI-APWZRJJASA-N 1 1 444.602 0.352 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCCCCO ZINC001541924080 1071922422 /nfs/dbraw/zinc/92/24/22/1071922422.db2.gz IJMBLUOLNKKCRI-LPHOPBHVSA-N 1 1 444.602 0.352 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCCCCO ZINC001541924081 1071922318 /nfs/dbraw/zinc/92/23/18/1071922318.db2.gz IJMBLUOLNKKCRI-QFBILLFUSA-N 1 1 444.602 0.352 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCCCCO ZINC001541924082 1071922296 /nfs/dbraw/zinc/92/22/96/1071922296.db2.gz IJMBLUOLNKKCRI-VQIMIIECSA-N 1 1 444.602 0.352 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@@H]1C[C@H]1C ZINC001541924379 1071922435 /nfs/dbraw/zinc/92/24/35/1071922435.db2.gz NCDPDKMFJJJZIB-DRMAHVMPSA-N 1 1 426.587 0.845 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@@H]1C[C@@H]1C ZINC001541924380 1071922372 /nfs/dbraw/zinc/92/23/72/1071922372.db2.gz NCDPDKMFJJJZIB-FPXQBCRKSA-N 1 1 426.587 0.845 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@H]1C[C@@H]1C ZINC001541924381 1071922282 /nfs/dbraw/zinc/92/22/82/1071922282.db2.gz NCDPDKMFJJJZIB-GGXPGOJBSA-N 1 1 426.587 0.845 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@H]1C[C@H]1C ZINC001541924382 1071922334 /nfs/dbraw/zinc/92/23/34/1071922334.db2.gz NCDPDKMFJJJZIB-OLMMMNRUSA-N 1 1 426.587 0.845 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C3CC3)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001541925917 1071923423 /nfs/dbraw/zinc/92/34/23/1071923423.db2.gz JUOCURUPRIDWQO-CGTJXYLNSA-N 1 1 440.614 0.971 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C3CC3)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001541925918 1071923379 /nfs/dbraw/zinc/92/33/79/1071923379.db2.gz JUOCURUPRIDWQO-JQHSSLGASA-N 1 1 440.614 0.971 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C3CC3)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001541925919 1071923504 /nfs/dbraw/zinc/92/35/04/1071923504.db2.gz JUOCURUPRIDWQO-RYQLBKOJSA-N 1 1 440.614 0.971 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C3CC3)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001541925920 1071923963 /nfs/dbraw/zinc/92/39/63/1071923963.db2.gz JUOCURUPRIDWQO-SZMVWBNQSA-N 1 1 440.614 0.971 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C[C@H]1CCCO1 ZINC001541927745 1071925885 /nfs/dbraw/zinc/92/58/85/1071925885.db2.gz PDTPTPBQDRSVPC-BRWVUGGUSA-N 1 1 442.586 0.226 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C[C@H]1CCCO1 ZINC001541927746 1071925899 /nfs/dbraw/zinc/92/58/99/1071925899.db2.gz PDTPTPBQDRSVPC-GVDBMIGSSA-N 1 1 442.586 0.226 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@H]1CCCO1 ZINC001541927747 1071925864 /nfs/dbraw/zinc/92/58/64/1071925864.db2.gz PDTPTPBQDRSVPC-IXDOHACOSA-N 1 1 442.586 0.226 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@H]1CCCO1 ZINC001541927748 1071925879 /nfs/dbraw/zinc/92/58/79/1071925879.db2.gz PDTPTPBQDRSVPC-YESZJQIVSA-N 1 1 442.586 0.226 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCOC3)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001541930366 1071927804 /nfs/dbraw/zinc/92/78/04/1071927804.db2.gz JPHKZWFWSYGHDM-BXWFABGCSA-N 1 1 426.587 0.989 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCOC3)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001541930367 1071927716 /nfs/dbraw/zinc/92/77/16/1071927716.db2.gz JPHKZWFWSYGHDM-GJYPPUQNSA-N 1 1 426.587 0.989 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCOC3)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001541930368 1071927811 /nfs/dbraw/zinc/92/78/11/1071927811.db2.gz JPHKZWFWSYGHDM-JTDSTZFVSA-N 1 1 426.587 0.989 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCOC3)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001541930369 1071927779 /nfs/dbraw/zinc/92/77/79/1071927779.db2.gz JPHKZWFWSYGHDM-TXPKVOOTSA-N 1 1 426.587 0.989 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(CCCC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541930482 1071928256 /nfs/dbraw/zinc/92/82/56/1071928256.db2.gz LSKZBTQCCJGZFU-BEFAXECRSA-N 1 1 426.587 0.725 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(CCCC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541930483 1071928323 /nfs/dbraw/zinc/92/83/23/1071928323.db2.gz LSKZBTQCCJGZFU-DNVCBOLYSA-N 1 1 426.587 0.725 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(CCCC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541930484 1071928340 /nfs/dbraw/zinc/92/83/40/1071928340.db2.gz LSKZBTQCCJGZFU-HNAYVOBHSA-N 1 1 426.587 0.725 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(CCCC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541930485 1071928240 /nfs/dbraw/zinc/92/82/40/1071928240.db2.gz LSKZBTQCCJGZFU-KXBFYZLASA-N 1 1 426.587 0.725 20 0 ICADMO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCOC2)C1)[N@@H+](C)C1CC1 ZINC001541930562 1071928217 /nfs/dbraw/zinc/92/82/17/1071928217.db2.gz NFVCPGMQQXMTRA-DOXZYTNZSA-N 1 1 426.587 0.988 20 0 ICADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCOC2)C1)[N@@H+](C)C1CC1 ZINC001541930563 1071928274 /nfs/dbraw/zinc/92/82/74/1071928274.db2.gz NFVCPGMQQXMTRA-VCBZYWHSSA-N 1 1 426.587 0.988 20 0 ICADMO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCOC2)C1)[N@@H+](C)C1CC1 ZINC001541930564 1071928293 /nfs/dbraw/zinc/92/82/93/1071928293.db2.gz NFVCPGMQQXMTRA-YZVOILCLSA-N 1 1 426.587 0.988 20 0 ICADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCOC2)C1)[N@@H+](C)C1CC1 ZINC001541930565 1071928203 /nfs/dbraw/zinc/92/82/03/1071928203.db2.gz NFVCPGMQQXMTRA-ZRGWGRIASA-N 1 1 426.587 0.988 20 0 ICADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1)[N@@H+](C)C1CC1 ZINC001541932214 1071929590 /nfs/dbraw/zinc/92/95/90/1071929590.db2.gz QLLHWEGTCYILLB-BIENJYKASA-N 1 1 439.586 0.087 20 0 ICADMO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1)[N@@H+](C)C1CC1 ZINC001541932215 1071929691 /nfs/dbraw/zinc/92/96/91/1071929691.db2.gz QLLHWEGTCYILLB-CKFHNAJUSA-N 1 1 439.586 0.087 20 0 ICADMO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1)[N@@H+](C)C1CC1 ZINC001541932216 1071929754 /nfs/dbraw/zinc/92/97/54/1071929754.db2.gz QLLHWEGTCYILLB-NJSLBKSFSA-N 1 1 439.586 0.087 20 0 ICADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1)[N@@H+](C)C1CC1 ZINC001541932217 1071929616 /nfs/dbraw/zinc/92/96/16/1071929616.db2.gz QLLHWEGTCYILLB-TYILLQQXSA-N 1 1 439.586 0.087 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001541935078 1071932892 /nfs/dbraw/zinc/93/28/92/1071932892.db2.gz JDZWSVYCABZHFX-HUUCEWRRSA-N 1 1 441.602 0.464 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001541935079 1071932858 /nfs/dbraw/zinc/93/28/58/1071932858.db2.gz JDZWSVYCABZHFX-LSDHHAIUSA-N 1 1 441.602 0.464 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001541935708 1071933339 /nfs/dbraw/zinc/93/33/39/1071933339.db2.gz RNTYWFFDQZEWCF-RRFJBIMHSA-N 1 1 439.586 0.074 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001541935709 1071933292 /nfs/dbraw/zinc/93/32/92/1071933292.db2.gz RNTYWFFDQZEWCF-SOUVJXGZSA-N 1 1 439.586 0.074 20 0 ICADMO CC(C)[N@H+]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCO[C@H]2C)CC1 ZINC001541938754 1071935433 /nfs/dbraw/zinc/93/54/33/1071935433.db2.gz LHTGORGQXCOABO-BXWFABGCSA-N 1 1 444.602 0.349 20 0 ICADMO CC(C)[N@H+]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCO[C@@H]2C)CC1 ZINC001541938755 1071935518 /nfs/dbraw/zinc/93/55/18/1071935518.db2.gz LHTGORGQXCOABO-FCEWJHQRSA-N 1 1 444.602 0.349 20 0 ICADMO CC(C)[N@H+]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCO[C@@H]2C)CC1 ZINC001541938756 1071935546 /nfs/dbraw/zinc/93/55/46/1071935546.db2.gz LHTGORGQXCOABO-FRQCXROJSA-N 1 1 444.602 0.349 20 0 ICADMO CC(C)[N@H+]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCO[C@H]2C)CC1 ZINC001541938757 1071935478 /nfs/dbraw/zinc/93/54/78/1071935478.db2.gz LHTGORGQXCOABO-TXPKVOOTSA-N 1 1 444.602 0.349 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@]1(O)CCOC1 ZINC001541938812 1071935493 /nfs/dbraw/zinc/93/54/93/1071935493.db2.gz MLFRXRFZDWUVOF-BEFAXECRSA-N 1 1 444.602 0.350 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@]1(O)CCOC1 ZINC001541938813 1071936072 /nfs/dbraw/zinc/93/60/72/1071936072.db2.gz MLFRXRFZDWUVOF-DNVCBOLYSA-N 1 1 444.602 0.350 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@]1(O)CCOC1 ZINC001541938814 1071936026 /nfs/dbraw/zinc/93/60/26/1071936026.db2.gz MLFRXRFZDWUVOF-HNAYVOBHSA-N 1 1 444.602 0.350 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@]1(O)CCOC1 ZINC001541938815 1071935954 /nfs/dbraw/zinc/93/59/54/1071935954.db2.gz MLFRXRFZDWUVOF-KXBFYZLASA-N 1 1 444.602 0.350 20 0 ICADMO CC(C)[N@H+]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccn(C)n2)CC1 ZINC001541939646 1071935939 /nfs/dbraw/zinc/93/59/39/1071935939.db2.gz BRZXGABPSDSYKV-INIZCTEOSA-N 1 1 438.602 0.785 20 0 ICADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccn(C)n2)CC1 ZINC001541939647 1071936051 /nfs/dbraw/zinc/93/60/51/1071936051.db2.gz BRZXGABPSDSYKV-MRXNPFEDSA-N 1 1 438.602 0.785 20 0 ICADMO CC(C)[N@H+]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNC(=O)C2CC2)CC1 ZINC001541940080 1071936485 /nfs/dbraw/zinc/93/64/85/1071936485.db2.gz JZYASQUSHJFFQV-HNNXBMFYSA-N 1 1 441.602 0.335 20 0 ICADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)C2CC2)CC1 ZINC001541940081 1071936418 /nfs/dbraw/zinc/93/64/18/1071936418.db2.gz JZYASQUSHJFFQV-OAHLLOKOSA-N 1 1 441.602 0.335 20 0 ICADMO CC(C)[N@@H+](C)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001541940755 1071936967 /nfs/dbraw/zinc/93/69/67/1071936967.db2.gz YAQSVCHMLHYPBP-CABCVRRESA-N 1 1 429.591 0.320 20 0 ICADMO CC(C)[N@@H+](C)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001541940756 1071936948 /nfs/dbraw/zinc/93/69/48/1071936948.db2.gz YAQSVCHMLHYPBP-GJZGRUSLSA-N 1 1 429.591 0.320 20 0 ICADMO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1)[N@@H+](C)C1CC1 ZINC001541942715 1071938891 /nfs/dbraw/zinc/93/88/91/1071938891.db2.gz JAGAMSMAANWYPF-KBPBESRZSA-N 1 1 439.586 0.182 20 0 ICADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1)[N@@H+](C)C1CC1 ZINC001541942716 1071938930 /nfs/dbraw/zinc/93/89/30/1071938930.db2.gz JAGAMSMAANWYPF-KGLIPLIRSA-N 1 1 439.586 0.182 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)C(=O)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001541942717 1071938875 /nfs/dbraw/zinc/93/88/75/1071938875.db2.gz JAGAMSMAANWYPF-UONOGXRCSA-N 1 1 439.586 0.182 20 0 ICADMO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1)[N@@H+](C)C1CC1 ZINC001541942718 1071938924 /nfs/dbraw/zinc/93/89/24/1071938924.db2.gz JAGAMSMAANWYPF-ZIAGYGMSSA-N 1 1 439.586 0.182 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1Cc1ccoc1 ZINC001541943695 1071940351 /nfs/dbraw/zinc/94/03/51/1071940351.db2.gz BSHCWOIMRXJJQT-DOTOQJQBSA-N 1 1 438.554 0.831 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1Cc1ccoc1 ZINC001541943696 1071940314 /nfs/dbraw/zinc/94/03/14/1071940314.db2.gz BSHCWOIMRXJJQT-NVXWUHKLSA-N 1 1 438.554 0.831 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1Cc1ccoc1 ZINC001541943697 1071940244 /nfs/dbraw/zinc/94/02/44/1071940244.db2.gz BSHCWOIMRXJJQT-RDJZCZTQSA-N 1 1 438.554 0.831 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1Cc1ccoc1 ZINC001541943698 1071940374 /nfs/dbraw/zinc/94/03/74/1071940374.db2.gz BSHCWOIMRXJJQT-WBVHZDCISA-N 1 1 438.554 0.831 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CC(F)(F)F ZINC001541944730 1071940885 /nfs/dbraw/zinc/94/08/85/1071940885.db2.gz WGVNANNBYFMJFU-CHWSQXEVSA-N 1 1 440.492 0.752 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CC(F)(F)F ZINC001541944731 1071940988 /nfs/dbraw/zinc/94/09/88/1071940988.db2.gz WGVNANNBYFMJFU-OLZOCXBDSA-N 1 1 440.492 0.752 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CC(F)(F)F ZINC001541944732 1071940919 /nfs/dbraw/zinc/94/09/19/1071940919.db2.gz WGVNANNBYFMJFU-QWHCGFSZSA-N 1 1 440.492 0.752 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CC(F)(F)F ZINC001541944733 1071940838 /nfs/dbraw/zinc/94/08/38/1071940838.db2.gz WGVNANNBYFMJFU-STQMWFEESA-N 1 1 440.492 0.752 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)F)CC1 ZINC001541944766 1071940907 /nfs/dbraw/zinc/94/09/07/1071940907.db2.gz WZEGPGVJMIUNQB-AWEZNQCLSA-N 1 1 437.561 0.616 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)F)CC1 ZINC001541944767 1071940980 /nfs/dbraw/zinc/94/09/80/1071940980.db2.gz WZEGPGVJMIUNQB-CQSZACIVSA-N 1 1 437.561 0.616 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCOCC(F)F ZINC001541945332 1071941771 /nfs/dbraw/zinc/94/17/71/1071941771.db2.gz FPKDETBODFJOSR-KBPBESRZSA-N 1 1 436.529 0.845 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCOCC(F)F ZINC001541945333 1071941843 /nfs/dbraw/zinc/94/18/43/1071941843.db2.gz FPKDETBODFJOSR-KGLIPLIRSA-N 1 1 436.529 0.845 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCOCC(F)F ZINC001541945334 1071941832 /nfs/dbraw/zinc/94/18/32/1071941832.db2.gz FPKDETBODFJOSR-UONOGXRCSA-N 1 1 436.529 0.845 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCOCC(F)F ZINC001541945335 1071941795 /nfs/dbraw/zinc/94/17/95/1071941795.db2.gz FPKDETBODFJOSR-ZIAGYGMSSA-N 1 1 436.529 0.845 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CC[N@H+]1CCC[C@H]1C ZINC001541945752 1071942307 /nfs/dbraw/zinc/94/23/07/1071942307.db2.gz LDXPYAWEODKFLO-ILXRZTDVSA-N 1 1 441.558 0.013 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001541945753 1071942398 /nfs/dbraw/zinc/94/23/98/1071942398.db2.gz LDXPYAWEODKFLO-KKUMJFAQSA-N 1 1 441.558 0.013 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CC[N@H+]1CCC[C@H]1C ZINC001541945754 1071942374 /nfs/dbraw/zinc/94/23/74/1071942374.db2.gz LDXPYAWEODKFLO-QLFBSQMISA-N 1 1 441.558 0.013 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001541945755 1071942343 /nfs/dbraw/zinc/94/23/43/1071942343.db2.gz LDXPYAWEODKFLO-SOUVJXGZSA-N 1 1 441.558 0.013 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCCOCC1CC1 ZINC001541945940 1071942814 /nfs/dbraw/zinc/94/28/14/1071942814.db2.gz NLVQDWCOCYEHNE-DOTOQJQBSA-N 1 1 442.586 0.226 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCCOCC1CC1 ZINC001541945940 1071942810 /nfs/dbraw/zinc/94/28/10/1071942810.db2.gz NLVQDWCOCYEHNE-DOTOQJQBSA-N 1 1 442.586 0.226 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCCOCC1CC1 ZINC001541945941 1071943416 /nfs/dbraw/zinc/94/34/16/1071943416.db2.gz NLVQDWCOCYEHNE-NVXWUHKLSA-N 1 1 442.586 0.226 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCCOCC1CC1 ZINC001541945941 1071943414 /nfs/dbraw/zinc/94/34/14/1071943414.db2.gz NLVQDWCOCYEHNE-NVXWUHKLSA-N 1 1 442.586 0.226 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCCOCC1CC1 ZINC001541945942 1071943330 /nfs/dbraw/zinc/94/33/30/1071943330.db2.gz NLVQDWCOCYEHNE-RDJZCZTQSA-N 1 1 442.586 0.226 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCCOCC1CC1 ZINC001541945942 1071943327 /nfs/dbraw/zinc/94/33/27/1071943327.db2.gz NLVQDWCOCYEHNE-RDJZCZTQSA-N 1 1 442.586 0.226 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCCOCC1CC1 ZINC001541945943 1071943240 /nfs/dbraw/zinc/94/32/40/1071943240.db2.gz NLVQDWCOCYEHNE-WBVHZDCISA-N 1 1 442.586 0.226 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCCOCC1CC1 ZINC001541945943 1071943236 /nfs/dbraw/zinc/94/32/36/1071943236.db2.gz NLVQDWCOCYEHNE-WBVHZDCISA-N 1 1 442.586 0.226 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCCC[C@@H]3C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001541946030 1071943203 /nfs/dbraw/zinc/94/32/03/1071943203.db2.gz OQUAADVJENOWBF-CGTJXYLNSA-N 1 1 439.630 0.903 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCCC[C@@H]3C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001541946031 1071943320 /nfs/dbraw/zinc/94/33/20/1071943320.db2.gz OQUAADVJENOWBF-JQHSSLGASA-N 1 1 439.630 0.903 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCCC[C@H]3C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001541946032 1071943383 /nfs/dbraw/zinc/94/33/83/1071943383.db2.gz OQUAADVJENOWBF-RYQLBKOJSA-N 1 1 439.630 0.903 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCCC[C@H]3C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001541946033 1071943287 /nfs/dbraw/zinc/94/32/87/1071943287.db2.gz OQUAADVJENOWBF-SZMVWBNQSA-N 1 1 439.630 0.903 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CC[C@H]1COCCO1 ZINC001541946600 1071944787 /nfs/dbraw/zinc/94/47/87/1071944787.db2.gz YDNMIUGLNCQBDO-BBWFWOEESA-N 1 1 442.586 0.368 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CC[C@@H]1COCCO1 ZINC001541946601 1071944746 /nfs/dbraw/zinc/94/47/46/1071944746.db2.gz YDNMIUGLNCQBDO-GVDBMIGSSA-N 1 1 442.586 0.368 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CC[C@H]1COCCO1 ZINC001541946602 1071944775 /nfs/dbraw/zinc/94/47/75/1071944775.db2.gz YDNMIUGLNCQBDO-ULQDDVLXSA-N 1 1 442.586 0.368 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CC[C@@H]1COCCO1 ZINC001541946603 1071944810 /nfs/dbraw/zinc/94/48/10/1071944810.db2.gz YDNMIUGLNCQBDO-YESZJQIVSA-N 1 1 442.586 0.368 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 ZINC001541947436 1071945726 /nfs/dbraw/zinc/94/57/26/1071945726.db2.gz KRCOQCVFEPARBX-BBWFWOEESA-N 1 1 444.602 0.613 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC001541947437 1071945765 /nfs/dbraw/zinc/94/57/65/1071945765.db2.gz KRCOQCVFEPARBX-GVDBMIGSSA-N 1 1 444.602 0.613 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC001541947438 1071945672 /nfs/dbraw/zinc/94/56/72/1071945672.db2.gz KRCOQCVFEPARBX-ULQDDVLXSA-N 1 1 444.602 0.613 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC001541947439 1071945754 /nfs/dbraw/zinc/94/57/54/1071945754.db2.gz KRCOQCVFEPARBX-YESZJQIVSA-N 1 1 444.602 0.613 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001541948862 1071947147 /nfs/dbraw/zinc/94/71/47/1071947147.db2.gz FRNZUIWXSXIZLC-HNNXBMFYSA-N 1 1 446.643 0.722 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001541948863 1071947622 /nfs/dbraw/zinc/94/76/22/1071947622.db2.gz FRNZUIWXSXIZLC-OAHLLOKOSA-N 1 1 446.643 0.722 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOCC2)n1CC[N@H+]1CCc2sccc2C1 ZINC001541949564 1071948841 /nfs/dbraw/zinc/94/88/41/1071948841.db2.gz RIMWTRYZAFVDNQ-AWEZNQCLSA-N 1 1 440.595 0.845 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOCC2)n1CC[N@H+]1CCc2sccc2C1 ZINC001541949565 1071948875 /nfs/dbraw/zinc/94/88/75/1071948875.db2.gz RIMWTRYZAFVDNQ-CQSZACIVSA-N 1 1 440.595 0.845 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001541950230 1071949766 /nfs/dbraw/zinc/94/97/66/1071949766.db2.gz CXCBWXQAJSKRRD-CVEARBPZSA-N 1 1 446.643 0.678 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001541950231 1071949839 /nfs/dbraw/zinc/94/98/39/1071949839.db2.gz CXCBWXQAJSKRRD-HOTGVXAUSA-N 1 1 446.643 0.678 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001541950232 1071949805 /nfs/dbraw/zinc/94/98/05/1071949805.db2.gz CXCBWXQAJSKRRD-HZPDHXFCSA-N 1 1 446.643 0.678 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001541950233 1071949716 /nfs/dbraw/zinc/94/97/16/1071949716.db2.gz CXCBWXQAJSKRRD-JKSUJKDBSA-N 1 1 446.643 0.678 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCSC(C)(C)C2)n1CCC[NH+]1CCOCC1 ZINC001541950832 1071950257 /nfs/dbraw/zinc/95/02/57/1071950257.db2.gz ODSZCPUZNBQQEK-HNNXBMFYSA-N 1 1 446.643 0.942 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSC(C)(C)C2)n1CCC[NH+]1CCOCC1 ZINC001541950833 1071950209 /nfs/dbraw/zinc/95/02/09/1071950209.db2.gz ODSZCPUZNBQQEK-OAHLLOKOSA-N 1 1 446.643 0.942 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001541951152 1071950691 /nfs/dbraw/zinc/95/06/91/1071950691.db2.gz UHSNDACZRCQLOP-OAGGEKHMSA-N 1 1 441.602 0.191 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001541951153 1071950736 /nfs/dbraw/zinc/95/07/36/1071950736.db2.gz UHSNDACZRCQLOP-XHSDSOJGSA-N 1 1 441.602 0.191 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)[C@H]2C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541951208 1071950703 /nfs/dbraw/zinc/95/07/03/1071950703.db2.gz VFFCITCUQTYPKO-CFAJVAMVSA-N 1 1 432.616 0.285 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541951209 1071950654 /nfs/dbraw/zinc/95/06/54/1071950654.db2.gz VFFCITCUQTYPKO-SZOQZIPDSA-N 1 1 432.616 0.285 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541951210 1071950629 /nfs/dbraw/zinc/95/06/29/1071950629.db2.gz VFFCITCUQTYPKO-ZJOBFFGXSA-N 1 1 432.616 0.285 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)[C@H]2C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541951211 1071950712 /nfs/dbraw/zinc/95/07/12/1071950712.db2.gz VFFCITCUQTYPKO-ZOMKSWQUSA-N 1 1 432.616 0.285 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001541951414 1071950763 /nfs/dbraw/zinc/95/07/63/1071950763.db2.gz YHKQDDYCGHGBNK-HNNXBMFYSA-N 1 1 445.659 0.468 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001541951414 1071950760 /nfs/dbraw/zinc/95/07/60/1071950760.db2.gz YHKQDDYCGHGBNK-HNNXBMFYSA-N 1 1 445.659 0.468 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001541951414 1071950757 /nfs/dbraw/zinc/95/07/57/1071950757.db2.gz YHKQDDYCGHGBNK-HNNXBMFYSA-N 1 1 445.659 0.468 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001541951415 1071951158 /nfs/dbraw/zinc/95/11/58/1071951158.db2.gz YHKQDDYCGHGBNK-OAHLLOKOSA-N 1 1 445.659 0.468 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001541951415 1071951153 /nfs/dbraw/zinc/95/11/53/1071951153.db2.gz YHKQDDYCGHGBNK-OAHLLOKOSA-N 1 1 445.659 0.468 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001541951415 1071951152 /nfs/dbraw/zinc/95/11/52/1071951152.db2.gz YHKQDDYCGHGBNK-OAHLLOKOSA-N 1 1 445.659 0.468 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(Nc2cnn(C)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001541951512 1071951140 /nfs/dbraw/zinc/95/11/40/1071951140.db2.gz AFIIBMISCVKJRU-CYBMUJFWSA-N 1 1 426.547 0.476 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(Nc2cnn(C)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001541951512 1071951137 /nfs/dbraw/zinc/95/11/37/1071951137.db2.gz AFIIBMISCVKJRU-CYBMUJFWSA-N 1 1 426.547 0.476 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(Nc2cnn(C)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001541951513 1071951214 /nfs/dbraw/zinc/95/12/14/1071951214.db2.gz AFIIBMISCVKJRU-ZDUSSCGKSA-N 1 1 426.547 0.476 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(Nc2cnn(C)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001541951513 1071951211 /nfs/dbraw/zinc/95/12/11/1071951211.db2.gz AFIIBMISCVKJRU-ZDUSSCGKSA-N 1 1 426.547 0.476 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001541951548 1071951231 /nfs/dbraw/zinc/95/12/31/1071951231.db2.gz BBQKVJFZULFKIU-OWCLPIDISA-N 1 1 444.602 0.613 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001541951548 1071951228 /nfs/dbraw/zinc/95/12/28/1071951228.db2.gz BBQKVJFZULFKIU-OWCLPIDISA-N 1 1 444.602 0.613 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001541951549 1071951108 /nfs/dbraw/zinc/95/11/08/1071951108.db2.gz BBQKVJFZULFKIU-XHSDSOJGSA-N 1 1 444.602 0.613 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001541951549 1071951107 /nfs/dbraw/zinc/95/11/07/1071951107.db2.gz BBQKVJFZULFKIU-XHSDSOJGSA-N 1 1 444.602 0.613 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001541952256 1071951732 /nfs/dbraw/zinc/95/17/32/1071951732.db2.gz QCSKGNZIYNPLFZ-HRCADAONSA-N 1 1 442.586 0.572 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001541952257 1071951799 /nfs/dbraw/zinc/95/17/99/1071951799.db2.gz QCSKGNZIYNPLFZ-OAGGEKHMSA-N 1 1 442.586 0.572 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001541952488 1071952262 /nfs/dbraw/zinc/95/22/62/1071952262.db2.gz VSJJNLAYKRHKLS-CAOSSQGBSA-N 1 1 442.586 0.570 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001541952489 1071952337 /nfs/dbraw/zinc/95/23/37/1071952337.db2.gz VSJJNLAYKRHKLS-JONQDZQNSA-N 1 1 442.586 0.570 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001541952490 1071952322 /nfs/dbraw/zinc/95/23/22/1071952322.db2.gz VSJJNLAYKRHKLS-LVQVYYBASA-N 1 1 442.586 0.570 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001541952491 1071952281 /nfs/dbraw/zinc/95/22/81/1071952281.db2.gz VSJJNLAYKRHKLS-WCVJEAGWSA-N 1 1 442.586 0.570 20 0 ICADMO C[C@]1([NH+]2CCOCC2)CCN(c2nnc(Cc3ccncc3)n2CCNS(C)(=O)=O)C1 ZINC001542021438 1071959654 /nfs/dbraw/zinc/95/96/54/1071959654.db2.gz ZKTBZCRMQMYXGX-FQEVSTJZSA-N 1 1 449.581 0.114 20 0 ICADMO C[C@@]1([NH+]2CCOCC2)CCN(c2nnc(Cc3ccncc3)n2CCNS(C)(=O)=O)C1 ZINC001542021439 1071959615 /nfs/dbraw/zinc/95/96/15/1071959615.db2.gz ZKTBZCRMQMYXGX-HXUWFJFHSA-N 1 1 449.581 0.114 20 0 ICADMO Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCNC(=O)C2)n1CC[N@H+](C)C(C)C ZINC001542054846 1071961155 /nfs/dbraw/zinc/96/11/55/1071961155.db2.gz HKLQIIOJSGSXDT-UHFFFAOYSA-N 1 1 448.597 0.823 20 0 ICADMO Cc1c(CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[N@H+]2CCCO)cnn1C ZINC001542072933 1071961600 /nfs/dbraw/zinc/96/16/00/1071961600.db2.gz PXYNGILAJJJIGH-GOSISDBHSA-N 1 1 432.573 0.941 20 0 ICADMO Cc1c(CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[N@H+]2CCCO)cnn1C ZINC001542072934 1071961566 /nfs/dbraw/zinc/96/15/66/1071961566.db2.gz PXYNGILAJJJIGH-SFHVURJKSA-N 1 1 432.573 0.941 20 0 ICADMO CC[C@@H](O)Cn1cc(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)nn1 ZINC001542138998 1071967129 /nfs/dbraw/zinc/96/71/29/1071967129.db2.gz JVPISUVFVUBMQJ-GOSISDBHSA-N 1 1 430.509 0.640 20 0 ICADMO CC[C@H](O)Cn1cc(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)nn1 ZINC001542138999 1071967090 /nfs/dbraw/zinc/96/70/90/1071967090.db2.gz JVPISUVFVUBMQJ-SFHVURJKSA-N 1 1 430.509 0.640 20 0 ICADMO Cc1cc(C)n(CC(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c(=O)n1 ZINC001542139037 1071967177 /nfs/dbraw/zinc/96/71/77/1071967177.db2.gz KZVPAKBYLSEKAL-UHFFFAOYSA-N 1 1 427.505 0.837 20 0 ICADMO Cc1cn2nnc(C(=O)NCc3cccc(NC(=O)CC[NH+]4CCOCC4)c3)c2c(=O)[nH]1 ZINC001542139096 1071967163 /nfs/dbraw/zinc/96/71/63/1071967163.db2.gz MSYHZIXCFCTRHO-UHFFFAOYSA-N 1 1 439.476 0.729 20 0 ICADMO Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@H]3C2)cs1 ZINC001542200850 1071970000 /nfs/dbraw/zinc/97/00/00/1071970000.db2.gz CCYUBUOEXLAOOV-GDBMZVCRSA-N 1 1 440.595 0.827 20 0 ICADMO Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@H]3C2)cs1 ZINC001542200850 1071969993 /nfs/dbraw/zinc/96/99/93/1071969993.db2.gz CCYUBUOEXLAOOV-GDBMZVCRSA-N 1 1 440.595 0.827 20 0 ICADMO Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@H]3C2)cs1 ZINC001542200851 1071970044 /nfs/dbraw/zinc/97/00/44/1071970044.db2.gz CCYUBUOEXLAOOV-GOEBONIOSA-N 1 1 440.595 0.827 20 0 ICADMO Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@H]3C2)cs1 ZINC001542200851 1071970042 /nfs/dbraw/zinc/97/00/42/1071970042.db2.gz CCYUBUOEXLAOOV-GOEBONIOSA-N 1 1 440.595 0.827 20 0 ICADMO Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@@H]3C2)cs1 ZINC001542200852 1071970012 /nfs/dbraw/zinc/97/00/12/1071970012.db2.gz CCYUBUOEXLAOOV-HOCLYGCPSA-N 1 1 440.595 0.827 20 0 ICADMO Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@@H]3C2)cs1 ZINC001542200852 1071970006 /nfs/dbraw/zinc/97/00/06/1071970006.db2.gz CCYUBUOEXLAOOV-HOCLYGCPSA-N 1 1 440.595 0.827 20 0 ICADMO Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@@H]3C2)cs1 ZINC001542200853 1071969958 /nfs/dbraw/zinc/96/99/58/1071969958.db2.gz CCYUBUOEXLAOOV-ZBFHGGJFSA-N 1 1 440.595 0.827 20 0 ICADMO Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@@H]3C2)cs1 ZINC001542200853 1071969956 /nfs/dbraw/zinc/96/99/56/1071969956.db2.gz CCYUBUOEXLAOOV-ZBFHGGJFSA-N 1 1 440.595 0.827 20 0 ICADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@H](NS(=O)(=O)c1cccs1)[C@H](C)O ZINC001542217100 1071971131 /nfs/dbraw/zinc/97/11/31/1071971131.db2.gz PAVQOJVMTBLIAV-BLLLJJGKSA-N 1 1 435.531 0.981 20 0 ICADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@H](C)O ZINC001542217101 1071971079 /nfs/dbraw/zinc/97/10/79/1071971079.db2.gz PAVQOJVMTBLIAV-LRDDRELGSA-N 1 1 435.531 0.981 20 0 ICADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@H](NS(=O)(=O)c1cccs1)[C@@H](C)O ZINC001542217102 1071971045 /nfs/dbraw/zinc/97/10/45/1071971045.db2.gz PAVQOJVMTBLIAV-MLGOLLRUSA-N 1 1 435.531 0.981 20 0 ICADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@@H](C)O ZINC001542217103 1071971086 /nfs/dbraw/zinc/97/10/86/1071971086.db2.gz PAVQOJVMTBLIAV-WBMJQRKESA-N 1 1 435.531 0.981 20 0 ICADMO COC(=O)c1ncoc1COCC(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC001542229334 1071971643 /nfs/dbraw/zinc/97/16/43/1071971643.db2.gz RZRLGQNDHMXLAO-UHFFFAOYSA-N 1 1 430.461 0.933 20 0 ICADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H](CO)NC(=O)c3cccc(F)n3)c2)CCO1 ZINC001542247157 1071972036 /nfs/dbraw/zinc/97/20/36/1071972036.db2.gz GNNGDIWZYVFCEE-BEFAXECRSA-N 1 1 430.480 0.849 20 0 ICADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H](CO)NC(=O)c3cccc(F)n3)c2)CCO1 ZINC001542247157 1071972033 /nfs/dbraw/zinc/97/20/33/1071972033.db2.gz GNNGDIWZYVFCEE-BEFAXECRSA-N 1 1 430.480 0.849 20 0 ICADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H](CO)NC(=O)c3cccc(F)n3)c2)CCO1 ZINC001542247158 1071972085 /nfs/dbraw/zinc/97/20/85/1071972085.db2.gz GNNGDIWZYVFCEE-KXBFYZLASA-N 1 1 430.480 0.849 20 0 ICADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H](CO)NC(=O)c3cccc(F)n3)c2)CCO1 ZINC001542247158 1071972082 /nfs/dbraw/zinc/97/20/82/1071972082.db2.gz GNNGDIWZYVFCEE-KXBFYZLASA-N 1 1 430.480 0.849 20 0 ICADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cc4n(n3)CCN(C)S4(=O)=O)c2)CCO1 ZINC001542248705 1071972024 /nfs/dbraw/zinc/97/20/24/1071972024.db2.gz BQOUJLWBBXITJL-HNNXBMFYSA-N 1 1 433.534 0.668 20 0 ICADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3cc4n(n3)CCN(C)S4(=O)=O)c2)CCO1 ZINC001542248705 1071972019 /nfs/dbraw/zinc/97/20/19/1071972019.db2.gz BQOUJLWBBXITJL-HNNXBMFYSA-N 1 1 433.534 0.668 20 0 ICADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cc4n(n3)CCN(C)S4(=O)=O)c2)CCO1 ZINC001542248706 1071972054 /nfs/dbraw/zinc/97/20/54/1071972054.db2.gz BQOUJLWBBXITJL-OAHLLOKOSA-N 1 1 433.534 0.668 20 0 ICADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3cc4n(n3)CCN(C)S4(=O)=O)c2)CCO1 ZINC001542248706 1071972053 /nfs/dbraw/zinc/97/20/53/1071972053.db2.gz BQOUJLWBBXITJL-OAHLLOKOSA-N 1 1 433.534 0.668 20 0 ICADMO CC(C)[N@@H+](C)CC1CCN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001542278517 1071972594 /nfs/dbraw/zinc/97/25/94/1071972594.db2.gz JDFKCUKWAUWWLX-UHFFFAOYSA-N 1 1 445.607 0.947 20 0 ICADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001542337723 1071975821 /nfs/dbraw/zinc/97/58/21/1071975821.db2.gz NJGVXPZJSFJFBE-HNNXBMFYSA-N 1 1 434.932 0.160 20 0 ICADMO Cc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)o1 ZINC001542343913 1071975771 /nfs/dbraw/zinc/97/57/71/1071975771.db2.gz DZZLBPIAGFIYEY-IFXJQAMLSA-N 1 1 438.554 0.383 20 0 ICADMO Cc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)o1 ZINC001542343914 1071975806 /nfs/dbraw/zinc/97/58/06/1071975806.db2.gz DZZLBPIAGFIYEY-LIRRHRJNSA-N 1 1 438.554 0.383 20 0 ICADMO Cc1ccc(-c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CCS(=O)(=O)NC(C)C)o1 ZINC001542344227 1071975899 /nfs/dbraw/zinc/97/58/99/1071975899.db2.gz NLGNYRISCPRICN-INIZCTEOSA-N 1 1 438.554 0.695 20 0 ICADMO Cc1ccc(-c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CCS(=O)(=O)NC(C)C)o1 ZINC001542344227 1071975895 /nfs/dbraw/zinc/97/58/95/1071975895.db2.gz NLGNYRISCPRICN-INIZCTEOSA-N 1 1 438.554 0.695 20 0 ICADMO Cc1ccc(-c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCS(=O)(=O)NC(C)C)o1 ZINC001542344228 1071976446 /nfs/dbraw/zinc/97/64/46/1071976446.db2.gz NLGNYRISCPRICN-MRXNPFEDSA-N 1 1 438.554 0.695 20 0 ICADMO Cc1ccc(-c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCS(=O)(=O)NC(C)C)o1 ZINC001542344228 1071976443 /nfs/dbraw/zinc/97/64/43/1071976443.db2.gz NLGNYRISCPRICN-MRXNPFEDSA-N 1 1 438.554 0.695 20 0 ICADMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)C[C@H](C)O1 ZINC001542356716 1071976856 /nfs/dbraw/zinc/97/68/56/1071976856.db2.gz UZTFEIDZUUMEAF-ACZWYYKOSA-N 1 1 448.539 0.829 20 0 ICADMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)C[C@H](C)O1 ZINC001542356716 1071976853 /nfs/dbraw/zinc/97/68/53/1071976853.db2.gz UZTFEIDZUUMEAF-ACZWYYKOSA-N 1 1 448.539 0.829 20 0 ICADMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)C[C@H](C)O1 ZINC001542356717 1071976920 /nfs/dbraw/zinc/97/69/20/1071976920.db2.gz UZTFEIDZUUMEAF-JSJNYSNDSA-N 1 1 448.539 0.829 20 0 ICADMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)C[C@H](C)O1 ZINC001542356717 1071976918 /nfs/dbraw/zinc/97/69/18/1071976918.db2.gz UZTFEIDZUUMEAF-JSJNYSNDSA-N 1 1 448.539 0.829 20 0 ICADMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)C[C@@H](C)O1 ZINC001542356718 1071976902 /nfs/dbraw/zinc/97/69/02/1071976902.db2.gz UZTFEIDZUUMEAF-YAJHFMINSA-N 1 1 448.539 0.829 20 0 ICADMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)C[C@@H](C)O1 ZINC001542356719 1071976952 /nfs/dbraw/zinc/97/69/52/1071976952.db2.gz UZTFEIDZUUMEAF-YKCBXCCJSA-N 1 1 448.539 0.829 20 0 ICADMO Cn1cc([C@@H]2[C@@H](C(=O)NCC(C)(C)[N@H+]3CCc4ccccc4C3)[C@@H](O)C(=O)N2C)cn1 ZINC001542359662 1071977376 /nfs/dbraw/zinc/97/73/76/1071977376.db2.gz RHLCXWRWOAXARZ-VAMGGRTRSA-N 1 1 425.533 0.863 20 0 ICADMO O=C(Cc1ccc(F)cc1)N[C@@H](CO)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001542366477 1071977434 /nfs/dbraw/zinc/97/74/34/1071977434.db2.gz ORAOJIDSNPYMDH-KRWDZBQOSA-N 1 1 449.445 0.959 20 0 ICADMO CN1CCn2ncc(C(=O)N3CC[NH+](CCCOCC(F)(F)F)CC3)c2S1(=O)=O ZINC001542366652 1071977417 /nfs/dbraw/zinc/97/74/17/1071977417.db2.gz VVWGNAREGKFRSO-UHFFFAOYSA-N 1 1 439.460 0.244 20 0 ICADMO COCC[N@H+]1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)CC1 ZINC001542377640 1071978329 /nfs/dbraw/zinc/97/83/29/1071978329.db2.gz FRODBONAKJBGHW-UHFFFAOYSA-N 1 1 431.580 0.688 20 0 ICADMO COCC[N@@H+]1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)CC1 ZINC001542377640 1071978324 /nfs/dbraw/zinc/97/83/24/1071978324.db2.gz FRODBONAKJBGHW-UHFFFAOYSA-N 1 1 431.580 0.688 20 0 ICADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)c1cc(S(N)(=O)=O)cnc1C ZINC001542424947 1071980789 /nfs/dbraw/zinc/98/07/89/1071980789.db2.gz FFPXQLXEXAIVKZ-UHFFFAOYSA-N 1 1 447.517 0.686 20 0 ICADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)[C@H](CC(N)=O)NC(=O)CC(C)C ZINC001542425576 1071980767 /nfs/dbraw/zinc/98/07/67/1071980767.db2.gz UWNFFHPBEQATQT-KRWDZBQOSA-N 1 1 447.536 0.428 20 0 ICADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C ZINC001542425577 1071980832 /nfs/dbraw/zinc/98/08/32/1071980832.db2.gz UWNFFHPBEQATQT-QGZVFWFLSA-N 1 1 447.536 0.428 20 0 ICADMO Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001542448626 1071981912 /nfs/dbraw/zinc/98/19/12/1071981912.db2.gz KTWMTLGBNHNTES-DYESRHJHSA-N 1 1 449.577 0.855 20 0 ICADMO Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001542448626 1071981910 /nfs/dbraw/zinc/98/19/10/1071981910.db2.gz KTWMTLGBNHNTES-DYESRHJHSA-N 1 1 449.577 0.855 20 0 ICADMO Cc1ccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001542448627 1071981959 /nfs/dbraw/zinc/98/19/59/1071981959.db2.gz KTWMTLGBNHNTES-LAUBAEHRSA-N 1 1 449.577 0.855 20 0 ICADMO Cc1ccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001542448627 1071981955 /nfs/dbraw/zinc/98/19/55/1071981955.db2.gz KTWMTLGBNHNTES-LAUBAEHRSA-N 1 1 449.577 0.855 20 0 ICADMO Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001542448628 1071981845 /nfs/dbraw/zinc/98/18/45/1071981845.db2.gz KTWMTLGBNHNTES-UTKZUKDTSA-N 1 1 449.577 0.855 20 0 ICADMO Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001542448628 1071981838 /nfs/dbraw/zinc/98/18/38/1071981838.db2.gz KTWMTLGBNHNTES-UTKZUKDTSA-N 1 1 449.577 0.855 20 0 ICADMO Cc1ccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001542448629 1071981941 /nfs/dbraw/zinc/98/19/41/1071981941.db2.gz KTWMTLGBNHNTES-UWJYYQICSA-N 1 1 449.577 0.855 20 0 ICADMO Cc1ccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001542448629 1071981939 /nfs/dbraw/zinc/98/19/39/1071981939.db2.gz KTWMTLGBNHNTES-UWJYYQICSA-N 1 1 449.577 0.855 20 0 ICADMO CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001542465125 1071982429 /nfs/dbraw/zinc/98/24/29/1071982429.db2.gz ZRTCSOKLTXXALB-GQIGUUNPSA-N 1 1 427.567 0.965 20 0 ICADMO CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001542465126 1071982475 /nfs/dbraw/zinc/98/24/75/1071982475.db2.gz ZRTCSOKLTXXALB-JXXFODFXSA-N 1 1 427.567 0.965 20 0 ICADMO O=C(NCCS(=O)(=O)N1CCOCC1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC001542480838 1071982469 /nfs/dbraw/zinc/98/24/69/1071982469.db2.gz KGIPQHSLLQWUCC-CTNGQTDRSA-N 1 1 437.562 0.303 20 0 ICADMO O=C(NCCS(=O)(=O)N1CCOCC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC001542480839 1071982384 /nfs/dbraw/zinc/98/23/84/1071982384.db2.gz KGIPQHSLLQWUCC-FPOVZHCZSA-N 1 1 437.562 0.303 20 0 ICADMO O=C(NCCS(=O)(=O)N1CCOCC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC001542480840 1071982834 /nfs/dbraw/zinc/98/28/34/1071982834.db2.gz KGIPQHSLLQWUCC-PZJWPPBQSA-N 1 1 437.562 0.303 20 0 ICADMO O=C(NCCS(=O)(=O)N1CCOCC1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC001542480841 1071982744 /nfs/dbraw/zinc/98/27/44/1071982744.db2.gz KGIPQHSLLQWUCC-TZIWHRDSSA-N 1 1 437.562 0.303 20 0 ICADMO Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC001542484986 1071983435 /nfs/dbraw/zinc/98/34/35/1071983435.db2.gz MPTMQSXRXPKESZ-NRFANRHFSA-N 1 1 449.577 0.775 20 0 ICADMO Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC001542484986 1071983430 /nfs/dbraw/zinc/98/34/30/1071983430.db2.gz MPTMQSXRXPKESZ-NRFANRHFSA-N 1 1 449.577 0.775 20 0 ICADMO Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC001542484987 1071983312 /nfs/dbraw/zinc/98/33/12/1071983312.db2.gz MPTMQSXRXPKESZ-OAQYLSRUSA-N 1 1 449.577 0.775 20 0 ICADMO Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC001542484987 1071983309 /nfs/dbraw/zinc/98/33/09/1071983309.db2.gz MPTMQSXRXPKESZ-OAQYLSRUSA-N 1 1 449.577 0.775 20 0 ICADMO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001542526110 1071984500 /nfs/dbraw/zinc/98/45/00/1071984500.db2.gz NKCFOSSQPJRKAQ-UHFFFAOYSA-N 1 1 440.566 0.640 20 0 ICADMO COc1ccc(CNC(=O)/C=C/C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC001542526781 1071984479 /nfs/dbraw/zinc/98/44/79/1071984479.db2.gz TZSNJVXAXRNVQX-CMDGGOBGSA-N 1 1 438.532 0.986 20 0 ICADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1sccc1S(=O)(=O)N1CCC(CO)CC1 ZINC001542535883 1071985576 /nfs/dbraw/zinc/98/55/76/1071985576.db2.gz URRVVVLTOFMPDI-CVEARBPZSA-N 1 1 443.591 0.734 20 0 ICADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1sccc1S(=O)(=O)N1CCC(CO)CC1 ZINC001542535884 1071985533 /nfs/dbraw/zinc/98/55/33/1071985533.db2.gz URRVVVLTOFMPDI-HOTGVXAUSA-N 1 1 443.591 0.734 20 0 ICADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1sccc1S(=O)(=O)N1CCC(CO)CC1 ZINC001542535885 1071985418 /nfs/dbraw/zinc/98/54/18/1071985418.db2.gz URRVVVLTOFMPDI-HZPDHXFCSA-N 1 1 443.591 0.734 20 0 ICADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1sccc1S(=O)(=O)N1CCC(CO)CC1 ZINC001542535886 1071985380 /nfs/dbraw/zinc/98/53/80/1071985380.db2.gz URRVVVLTOFMPDI-JKSUJKDBSA-N 1 1 443.591 0.734 20 0 ICADMO NS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)C1 ZINC001542546167 1071985849 /nfs/dbraw/zinc/98/58/49/1071985849.db2.gz PPPVMTZBXFOYAN-IRFCIJBXSA-N 1 1 436.578 0.557 20 0 ICADMO NS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)C1 ZINC001542546168 1071985959 /nfs/dbraw/zinc/98/59/59/1071985959.db2.gz PPPVMTZBXFOYAN-QKNQBKEWSA-N 1 1 436.578 0.557 20 0 ICADMO NS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)C1 ZINC001542546169 1071985897 /nfs/dbraw/zinc/98/58/97/1071985897.db2.gz PPPVMTZBXFOYAN-ZJOUEHCJSA-N 1 1 436.578 0.557 20 0 ICADMO NS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)C1 ZINC001542546170 1071985878 /nfs/dbraw/zinc/98/58/78/1071985878.db2.gz PPPVMTZBXFOYAN-ZVDOUQERSA-N 1 1 436.578 0.557 20 0 ICADMO Cc1cccc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2C[C@]2(O)CC[N@H+](C)C2)n1 ZINC001542617103 1071988945 /nfs/dbraw/zinc/98/89/45/1071988945.db2.gz CNOIWLCKPPZXON-FQEVSTJZSA-N 1 1 449.581 0.233 20 0 ICADMO Cc1cccc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)n1 ZINC001542617104 1071988924 /nfs/dbraw/zinc/98/89/24/1071988924.db2.gz CNOIWLCKPPZXON-HXUWFJFHSA-N 1 1 449.581 0.233 20 0 ICADMO C[C@]1(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC001542637538 1071990985 /nfs/dbraw/zinc/99/09/85/1071990985.db2.gz BFGGIOHVAVVOGX-DNVFCKCGSA-N 1 1 446.548 0.852 20 0 ICADMO C[C@]1(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@H](O)CN1C(=O)OCc1ccccc1 ZINC001542637539 1071991031 /nfs/dbraw/zinc/99/10/31/1071991031.db2.gz BFGGIOHVAVVOGX-SELNLUPBSA-N 1 1 446.548 0.852 20 0 ICADMO C[C@]1(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@H](O)CN1C(=O)OCc1ccccc1 ZINC001542637540 1071991108 /nfs/dbraw/zinc/99/11/08/1071991108.db2.gz BFGGIOHVAVVOGX-SFYKDHMMSA-N 1 1 446.548 0.852 20 0 ICADMO C[C@]1(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC001542637541 1071990990 /nfs/dbraw/zinc/99/09/90/1071990990.db2.gz BFGGIOHVAVVOGX-YCRNBWNJSA-N 1 1 446.548 0.852 20 0 ICADMO CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC001542637784 1071990977 /nfs/dbraw/zinc/99/09/77/1071990977.db2.gz KOJDJFUAEYFBEN-AWEZNQCLSA-N 1 1 435.529 0.387 20 0 ICADMO CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001542637785 1071991038 /nfs/dbraw/zinc/99/10/38/1071991038.db2.gz KOJDJFUAEYFBEN-CQSZACIVSA-N 1 1 435.529 0.387 20 0 ICADMO 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QSAZCGRFXMQCFB-CQSZACIVSA-N 1 1 435.447 0.661 20 0 ICADMO CC(C)[C@@H](C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1)N1C(=O)c2ccccc2C1=O ZINC001542960980 1072020994 /nfs/dbraw/zinc/02/09/94/1072020994.db2.gz RHPVPYQUHSQZTH-IBGZPJMESA-N 1 1 441.532 0.819 20 0 ICADMO CC(C)[C@H](C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1)N1C(=O)c2ccccc2C1=O ZINC001542960981 1072020808 /nfs/dbraw/zinc/02/08/08/1072020808.db2.gz RHPVPYQUHSQZTH-LJQANCHMSA-N 1 1 441.532 0.819 20 0 ICADMO COc1ccc(CN2C[C@@H](C(=O)N3CCN(C(=O)N4CC[NH+](C)CC4)CC3)CC2=O)cc1 ZINC001542960989 1072020871 /nfs/dbraw/zinc/02/08/71/1072020871.db2.gz RQOCZELGWAZBDX-IBGZPJMESA-N 1 1 443.548 0.555 20 0 ICADMO COc1ccc(CN2C[C@H](C(=O)N3CCN(C(=O)N4CC[NH+](C)CC4)CC3)CC2=O)cc1 ZINC001542960990 1072020915 /nfs/dbraw/zinc/02/09/15/1072020915.db2.gz RQOCZELGWAZBDX-LJQANCHMSA-N 1 1 443.548 0.555 20 0 ICADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3nccn4c(Br)cnc34)CC2)CC1 ZINC001542961061 1072020762 /nfs/dbraw/zinc/02/07/62/1072020762.db2.gz UUCRBNLHTRWVMU-UHFFFAOYSA-N 1 1 436.314 0.617 20 0 ICADMO COc1ccccc1N1C[C@@H](C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC001542961178 1072020787 /nfs/dbraw/zinc/02/07/87/1072020787.db2.gz YGMSLKOHKSJSGR-KRWDZBQOSA-N 1 1 429.521 0.560 20 0 ICADMO COc1ccccc1N1C[C@H](C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC001542961179 1072021023 /nfs/dbraw/zinc/02/10/23/1072021023.db2.gz YGMSLKOHKSJSGR-QGZVFWFLSA-N 1 1 429.521 0.560 20 0 ICADMO CCN1C(=O)C[C@H](C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)[C@H]1c1cccnc1 ZINC001542961194 1072020887 /nfs/dbraw/zinc/02/08/87/1072020887.db2.gz YKBKYKRUROKLOP-AZUAARDMSA-N 1 1 428.537 0.503 20 0 ICADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)C3(n4cc(Br)cn4)CC3)CC2)CC1 ZINC001542962255 1072021629 /nfs/dbraw/zinc/02/16/29/1072021629.db2.gz HODIXOZWMKLNMF-UHFFFAOYSA-N 1 1 425.331 0.646 20 0 ICADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cc4ncc(Br)cn4n3)CC2)CC1 ZINC001542962338 1072021598 /nfs/dbraw/zinc/02/15/98/1072021598.db2.gz LADNEXKRNOVEJC-UHFFFAOYSA-N 1 1 436.314 0.617 20 0 ICADMO CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001542962442 1072021416 /nfs/dbraw/zinc/02/14/16/1072021416.db2.gz OPUFLVZLSRBOTG-KRWDZBQOSA-N 1 1 441.573 0.816 20 0 ICADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3)CC2)CC1 ZINC001542962490 1072021438 /nfs/dbraw/zinc/02/14/38/1072021438.db2.gz QAEHGLPFFYOJFO-UHFFFAOYSA-N 1 1 430.484 0.820 20 0 ICADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)Cn3nc(C(F)(F)F)c4c3CCC4)CC2)CC1 ZINC001542962504 1072021457 /nfs/dbraw/zinc/02/14/57/1072021457.db2.gz QLZCUYKAOVUYKB-UHFFFAOYSA-N 1 1 428.459 0.902 20 0 ICADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)c(F)c4)C3)CC2)CC1 ZINC001542962550 1072021560 /nfs/dbraw/zinc/02/15/60/1072021560.db2.gz RYQPTGRBDAOKQW-HNNXBMFYSA-N 1 1 435.475 0.829 20 0 ICADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)c(F)c4)C3)CC2)CC1 ZINC001542962551 1072021343 /nfs/dbraw/zinc/02/13/43/1072021343.db2.gz RYQPTGRBDAOKQW-OAHLLOKOSA-N 1 1 435.475 0.829 20 0 ICADMO Cc1nccc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC[N@H+](C)C(C)C)CC2)n1 ZINC001542968574 1072022695 /nfs/dbraw/zinc/02/26/95/1072022695.db2.gz YFUONMRHROQTDH-KRWDZBQOSA-N 1 1 427.557 0.994 20 0 ICADMO Cc1nccc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC[N@H+](C)C(C)C)CC2)n1 ZINC001542968575 1072022820 /nfs/dbraw/zinc/02/28/20/1072022820.db2.gz YFUONMRHROQTDH-QGZVFWFLSA-N 1 1 427.557 0.994 20 0 ICADMO Cc1[nH+]ccn1CCCCn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)(=O)CC1 ZINC001542969482 1072022923 /nfs/dbraw/zinc/02/29/23/1072022923.db2.gz HOLGLCYPQIEKFP-UHFFFAOYSA-N 1 1 435.554 0.734 20 0 ICADMO Cc1[nH+]ccn1CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001542970845 1072022545 /nfs/dbraw/zinc/02/25/45/1072022545.db2.gz DOHZLLMWCGJLPF-UHFFFAOYSA-N 1 1 447.569 0.746 20 0 ICADMO Cc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCCCn1cc[nH+]c1C ZINC001542970890 1072022662 /nfs/dbraw/zinc/02/26/62/1072022662.db2.gz GAQGFYGYWKSIFG-UHFFFAOYSA-N 1 1 444.540 0.079 20 0 ICADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001542972313 1072022580 /nfs/dbraw/zinc/02/25/80/1072022580.db2.gz FGCBTZZGINUTBV-DLBZAZTESA-N 1 1 449.581 0.867 20 0 ICADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001542972314 1072022499 /nfs/dbraw/zinc/02/24/99/1072022499.db2.gz FGCBTZZGINUTBV-IRXDYDNUSA-N 1 1 449.581 0.867 20 0 ICADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001542972915 1072023424 /nfs/dbraw/zinc/02/34/24/1072023424.db2.gz VQCDMYSZQXXRIQ-CVEARBPZSA-N 1 1 435.554 0.477 20 0 ICADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001542972916 1072023521 /nfs/dbraw/zinc/02/35/21/1072023521.db2.gz VQCDMYSZQXXRIQ-HOTGVXAUSA-N 1 1 435.554 0.477 20 0 ICADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001542972917 1072023313 /nfs/dbraw/zinc/02/33/13/1072023313.db2.gz VQCDMYSZQXXRIQ-HZPDHXFCSA-N 1 1 435.554 0.477 20 0 ICADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001542972918 1072023443 /nfs/dbraw/zinc/02/34/43/1072023443.db2.gz VQCDMYSZQXXRIQ-JKSUJKDBSA-N 1 1 435.554 0.477 20 0 ICADMO Cc1[nH+]ccn1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001542974434 1072023278 /nfs/dbraw/zinc/02/32/78/1072023278.db2.gz UETMIUCMKUENJT-KBPBESRZSA-N 1 1 438.558 0.150 20 0 ICADMO Cc1[nH+]ccn1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001542974435 1072023486 /nfs/dbraw/zinc/02/34/86/1072023486.db2.gz UETMIUCMKUENJT-KGLIPLIRSA-N 1 1 438.558 0.150 20 0 ICADMO Cc1[nH+]ccn1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001542974436 1072023397 /nfs/dbraw/zinc/02/33/97/1072023397.db2.gz UETMIUCMKUENJT-UONOGXRCSA-N 1 1 438.558 0.150 20 0 ICADMO Cc1[nH+]ccn1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001542974437 1072023220 /nfs/dbraw/zinc/02/32/20/1072023220.db2.gz UETMIUCMKUENJT-ZIAGYGMSSA-N 1 1 438.558 0.150 20 0 ICADMO Cc1[nH+]ccn1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)CC1 ZINC001542976965 1072023500 /nfs/dbraw/zinc/02/35/00/1072023500.db2.gz AYYZXXPZSBNINB-HNNXBMFYSA-N 1 1 442.567 0.010 20 0 ICADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)CC1 ZINC001542976966 1072023373 /nfs/dbraw/zinc/02/33/73/1072023373.db2.gz AYYZXXPZSBNINB-OAHLLOKOSA-N 1 1 442.567 0.010 20 0 ICADMO Cc1[nH+]ccn1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001542977830 1072023464 /nfs/dbraw/zinc/02/34/64/1072023464.db2.gz ZANRJCLWSZJEPF-HOTGVXAUSA-N 1 1 435.554 0.477 20 0 ICADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001542977831 1072023189 /nfs/dbraw/zinc/02/31/89/1072023189.db2.gz ZANRJCLWSZJEPF-JKSUJKDBSA-N 1 1 435.554 0.477 20 0 ICADMO Cc1[nH+]ccn1CCCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001542979238 1072023548 /nfs/dbraw/zinc/02/35/48/1072023548.db2.gz OCBKJQMQXQWRLU-HNNXBMFYSA-N 1 1 437.570 0.865 20 0 ICADMO Cc1[nH+]ccn1CCCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001542979239 1072024007 /nfs/dbraw/zinc/02/40/07/1072024007.db2.gz OCBKJQMQXQWRLU-OAHLLOKOSA-N 1 1 437.570 0.865 20 0 ICADMO Cc1[nH+]ccn1CCCn1c(Cc2cccnc2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001542979324 1072023909 /nfs/dbraw/zinc/02/39/09/1072023909.db2.gz QZJPBXNTRNRJCO-UHFFFAOYSA-N 1 1 444.565 0.941 20 0 ICADMO Cc1[nH+]ccn1CCn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001542979633 1072024105 /nfs/dbraw/zinc/02/41/05/1072024105.db2.gz AYFVBPCMRFTTGI-UHFFFAOYSA-N 1 1 444.540 0.114 20 0 ICADMO Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001542979727 1072024069 /nfs/dbraw/zinc/02/40/69/1072024069.db2.gz DHSBTDSYAKBCNJ-AWEZNQCLSA-N 1 1 438.558 0.092 20 0 ICADMO Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001542979756 1072023835 /nfs/dbraw/zinc/02/38/35/1072023835.db2.gz FBDXLXOOHHATPR-AEFFLSMTSA-N 1 1 430.557 0.778 20 0 ICADMO Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC001542979757 1072024148 /nfs/dbraw/zinc/02/41/48/1072024148.db2.gz FBDXLXOOHHATPR-FUHWJXTLSA-N 1 1 430.557 0.778 20 0 ICADMO Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001542979758 1072024041 /nfs/dbraw/zinc/02/40/41/1072024041.db2.gz FBDXLXOOHHATPR-SJLPKXTDSA-N 1 1 430.557 0.778 20 0 ICADMO Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001542979759 1072024172 /nfs/dbraw/zinc/02/41/72/1072024172.db2.gz FBDXLXOOHHATPR-WMZOPIPTSA-N 1 1 430.557 0.778 20 0 ICADMO Cc1[nH+]ccn1CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001542980569 1072024227 /nfs/dbraw/zinc/02/42/27/1072024227.db2.gz DMZMRSKCUVUKJD-UHFFFAOYSA-N 1 1 439.524 0.652 20 0 ICADMO Cc1[nH+]ccn1CCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001542980919 1072023954 /nfs/dbraw/zinc/02/39/54/1072023954.db2.gz SCQSHRBLSNRLAU-UHFFFAOYSA-N 1 1 426.529 0.094 20 0 ICADMO Cc1[nH+]ccn1CCn1c(-c2cnccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001542981033 1072024125 /nfs/dbraw/zinc/02/41/25/1072024125.db2.gz WIZHARNKBQCWCR-UHFFFAOYSA-N 1 1 445.553 0.800 20 0 ICADMO Cc1[nH+]ccn1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1 ZINC001542981255 1072023873 /nfs/dbraw/zinc/02/38/73/1072023873.db2.gz CLFWRLJOPJNXNL-INIZCTEOSA-N 1 1 439.542 0.043 20 0 ICADMO Cc1[nH+]ccn1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1 ZINC001542981256 1072024029 /nfs/dbraw/zinc/02/40/29/1072024029.db2.gz CLFWRLJOPJNXNL-MRXNPFEDSA-N 1 1 439.542 0.043 20 0 ICADMO Cc1[nH+]ccn1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)C1 ZINC001542981422 1072024135 /nfs/dbraw/zinc/02/41/35/1072024135.db2.gz IAYPNUZVWZXDTK-AWEZNQCLSA-N 1 1 445.496 0.662 20 0 ICADMO Cc1[nH+]ccn1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)C1 ZINC001542981423 1072023810 /nfs/dbraw/zinc/02/38/10/1072023810.db2.gz IAYPNUZVWZXDTK-CQSZACIVSA-N 1 1 445.496 0.662 20 0 ICADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001542981619 1072024090 /nfs/dbraw/zinc/02/40/90/1072024090.db2.gz MIEOZDSEKKCIEY-KRWDZBQOSA-N 1 1 443.556 0.081 20 0 ICADMO Cc1[nH+]ccn1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001542981620 1072023935 /nfs/dbraw/zinc/02/39/35/1072023935.db2.gz MIEOZDSEKKCIEY-QGZVFWFLSA-N 1 1 443.556 0.081 20 0 ICADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001542981814 1072023984 /nfs/dbraw/zinc/02/39/84/1072023984.db2.gz RSKZWHLBOQPGQE-CABCVRRESA-N 1 1 442.567 0.009 20 0 ICADMO Cc1[nH+]ccn1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001542981815 1072024202 /nfs/dbraw/zinc/02/42/02/1072024202.db2.gz RSKZWHLBOQPGQE-GJZGRUSLSA-N 1 1 442.567 0.009 20 0 ICADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001542981816 1072024113 /nfs/dbraw/zinc/02/41/13/1072024113.db2.gz RSKZWHLBOQPGQE-HUUCEWRRSA-N 1 1 442.567 0.009 20 0 ICADMO 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CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC001543015447 1072028158 /nfs/dbraw/zinc/02/81/58/1072028158.db2.gz JSIOITASOPACQY-DOTOQJQBSA-N 1 1 439.601 0.539 20 0 ICADMO CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC001543015448 1072028111 /nfs/dbraw/zinc/02/81/11/1072028111.db2.gz JSIOITASOPACQY-NVXWUHKLSA-N 1 1 439.601 0.539 20 0 ICADMO CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC001543015449 1072028173 /nfs/dbraw/zinc/02/81/73/1072028173.db2.gz JSIOITASOPACQY-RDJZCZTQSA-N 1 1 439.601 0.539 20 0 ICADMO CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC001543015450 1072028186 /nfs/dbraw/zinc/02/81/86/1072028186.db2.gz JSIOITASOPACQY-WBVHZDCISA-N 1 1 439.601 0.539 20 0 ICADMO CNC(=O)C[NH+]1CCC(NC(=O)C2=NO[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001543015486 1072028194 /nfs/dbraw/zinc/02/81/94/1072028194.db2.gz MAIZPXKNPLIBEI-NRFANRHFSA-N 1 1 437.541 0.859 20 0 ICADMO 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Cc1cc(C)n(Cc2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCCNC(=O)C(C)C)n1 ZINC001543067296 1072036305 /nfs/dbraw/zinc/03/63/05/1072036305.db2.gz QHDHTVNQKOCYJF-LJQANCHMSA-N 1 1 444.584 0.823 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CCNC(=O)C3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001543067644 1072036092 /nfs/dbraw/zinc/03/60/92/1072036092.db2.gz VOQVJOYHLAEMDR-HDICACEKSA-N 1 1 444.584 0.964 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CCN(S(C)(=O)=O)CC3)n2CC[N@H+](C)C(C)C)n1 ZINC001543067754 1072036279 /nfs/dbraw/zinc/03/62/79/1072036279.db2.gz XCJACFVLLZHIKJ-UHFFFAOYSA-N 1 1 438.602 0.562 20 0 ICADMO C[N@@H+](CC(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)[C@@H]1CCC[C@H]1O ZINC001543068113 1072036369 /nfs/dbraw/zinc/03/63/69/1072036369.db2.gz HZGPYOPMXNSROZ-BHIYHBOVSA-N 1 1 425.551 0.605 20 0 ICADMO C[N@@H+](CC(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)[C@@H]1CCC[C@H]1O ZINC001543068114 1072036333 /nfs/dbraw/zinc/03/63/33/1072036333.db2.gz HZGPYOPMXNSROZ-QXAKKESOSA-N 1 1 425.551 0.605 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](COC(C)C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)n1 ZINC001543069113 1072036742 /nfs/dbraw/zinc/03/67/42/1072036742.db2.gz KZOJZFZFBQZLEX-DENIHFKCSA-N 1 1 447.584 0.837 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](COC(C)C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)n1 ZINC001543069114 1072036685 /nfs/dbraw/zinc/03/66/85/1072036685.db2.gz KZOJZFZFBQZLEX-KNQAVFIVSA-N 1 1 447.584 0.837 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](COC(C)C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)n1 ZINC001543069115 1072036863 /nfs/dbraw/zinc/03/68/63/1072036863.db2.gz KZOJZFZFBQZLEX-SIKLNZKXSA-N 1 1 447.584 0.837 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](COC(C)C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)n1 ZINC001543069116 1072036982 /nfs/dbraw/zinc/03/69/82/1072036982.db2.gz KZOJZFZFBQZLEX-UGKGYDQZSA-N 1 1 447.584 0.837 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CCS(=O)CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)n1 ZINC001543072332 1072036887 /nfs/dbraw/zinc/03/68/87/1072036887.db2.gz PNFSOWQOIDOQCQ-UHFFFAOYSA-N 1 1 448.641 0.734 20 0 ICADMO Cc1nc2n(n1)CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)[N@@H+](C)C1CC1)C2 ZINC001543091281 1072039224 /nfs/dbraw/zinc/03/92/24/1072039224.db2.gz OLJXUMGHRAXEEZ-CHWSQXEVSA-N 1 1 437.574 0.291 20 0 ICADMO Cc1nc2n(n1)CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)[N@@H+](C)C1CC1)C2 ZINC001543091282 1072039317 /nfs/dbraw/zinc/03/93/17/1072039317.db2.gz OLJXUMGHRAXEEZ-OLZOCXBDSA-N 1 1 437.574 0.291 20 0 ICADMO Cc1nc2n(n1)CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)[N@@H+](C)C1CC1)C2 ZINC001543091283 1072039478 /nfs/dbraw/zinc/03/94/78/1072039478.db2.gz OLJXUMGHRAXEEZ-QWHCGFSZSA-N 1 1 437.574 0.291 20 0 ICADMO Cc1nc2n(n1)CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)[N@@H+](C)C1CC1)C2 ZINC001543091284 1072039518 /nfs/dbraw/zinc/03/95/18/1072039518.db2.gz OLJXUMGHRAXEEZ-STQMWFEESA-N 1 1 437.574 0.291 20 0 ICADMO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C ZINC001543091398 1072039928 /nfs/dbraw/zinc/03/99/28/1072039928.db2.gz AVLVTJSFVLATBU-CVEARBPZSA-N 1 1 435.587 0.884 20 0 ICADMO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C ZINC001543091399 1072040118 /nfs/dbraw/zinc/04/01/18/1072040118.db2.gz AVLVTJSFVLATBU-HOTGVXAUSA-N 1 1 435.587 0.884 20 0 ICADMO Cc1nnc([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+]3CC=CCC3)CCO2)o1 ZINC001543094286 1072040819 /nfs/dbraw/zinc/04/08/19/1072040819.db2.gz DYEGAXGULUEFEN-INIZCTEOSA-N 1 1 430.513 0.948 20 0 ICADMO Cc1nnc([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+]3CC=CCC3)CCO2)o1 ZINC001543094287 1072040674 /nfs/dbraw/zinc/04/06/74/1072040674.db2.gz DYEGAXGULUEFEN-MRXNPFEDSA-N 1 1 430.513 0.948 20 0 ICADMO Cc1nnc([C@H]2CN(c3nnc(C)n3CCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)CCO2)o1 ZINC001543097714 1072041377 /nfs/dbraw/zinc/04/13/77/1072041377.db2.gz ISMFGSSMYZWKBE-DLBZAZTESA-N 1 1 432.529 0.799 20 0 ICADMO Cc1nnc([C@H]2CN(c3nnc(C)n3CCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)CCO2)o1 ZINC001543097715 1072041201 /nfs/dbraw/zinc/04/12/01/1072041201.db2.gz ISMFGSSMYZWKBE-IAGOWNOFSA-N 1 1 432.529 0.799 20 0 ICADMO Cc1nnc([C@@H]2CN(c3nnc(C)n3CCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)CCO2)o1 ZINC001543097716 1072041280 /nfs/dbraw/zinc/04/12/80/1072041280.db2.gz ISMFGSSMYZWKBE-IRXDYDNUSA-N 1 1 432.529 0.799 20 0 ICADMO Cc1nnc([C@@H]2CN(c3nnc(C)n3CCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)CCO2)o1 ZINC001543097717 1072041430 /nfs/dbraw/zinc/04/14/30/1072041430.db2.gz ISMFGSSMYZWKBE-SJORKVTESA-N 1 1 432.529 0.799 20 0 ICADMO CN1C(=O)CO[C@H](C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)[C@H]1c1cccnc1 ZINC001543099637 1072041417 /nfs/dbraw/zinc/04/14/17/1072041417.db2.gz PFMQJSRKYRSWEY-YADHBBJMSA-N 1 1 443.548 0.383 20 0 ICADMO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001543113095 1072043067 /nfs/dbraw/zinc/04/30/67/1072043067.db2.gz DLJLYNFPGVHGPF-HNNXBMFYSA-N 1 1 443.591 0.573 20 0 ICADMO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001543113098 1072043155 /nfs/dbraw/zinc/04/31/55/1072043155.db2.gz DLJLYNFPGVHGPF-OAHLLOKOSA-N 1 1 443.591 0.573 20 0 ICADMO Cc1nnc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[N@H+]3C[C@H]2C)s1 ZINC001543116750 1072042985 /nfs/dbraw/zinc/04/29/85/1072042985.db2.gz DPCTXBVQQWRSDC-DYEKYZERSA-N 1 1 440.599 0.769 20 0 ICADMO Cc1nnc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[N@H+]3C[C@H]2C)s1 ZINC001543116751 1072043220 /nfs/dbraw/zinc/04/32/20/1072043220.db2.gz DPCTXBVQQWRSDC-MBNYWOFBSA-N 1 1 440.599 0.769 20 0 ICADMO Cc1nnc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)s1 ZINC001543116752 1072043128 /nfs/dbraw/zinc/04/31/28/1072043128.db2.gz DPCTXBVQQWRSDC-OBJOEFQTSA-N 1 1 440.599 0.769 20 0 ICADMO Cc1nnc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[N@H+]3C[C@@H]2C)s1 ZINC001543116753 1072042893 /nfs/dbraw/zinc/04/28/93/1072042893.db2.gz DPCTXBVQQWRSDC-SGMGOOAPSA-N 1 1 440.599 0.769 20 0 ICADMO Cc1nnc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCCC[C@@H]3C2)s1 ZINC001543117429 1072043647 /nfs/dbraw/zinc/04/36/47/1072043647.db2.gz YLUDTIMWXDAHOA-GXTWGEPZSA-N 1 1 440.599 0.771 20 0 ICADMO Cc1nnc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCCC[C@H]3C2)s1 ZINC001543117430 1072043704 /nfs/dbraw/zinc/04/37/04/1072043704.db2.gz YLUDTIMWXDAHOA-JSGCOSHPSA-N 1 1 440.599 0.771 20 0 ICADMO Cc1nnc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCCC[C@H]3C2)s1 ZINC001543117431 1072043496 /nfs/dbraw/zinc/04/34/96/1072043496.db2.gz YLUDTIMWXDAHOA-OCCSQVGLSA-N 1 1 440.599 0.771 20 0 ICADMO Cc1nnc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCCC[C@@H]3C2)s1 ZINC001543117432 1072043544 /nfs/dbraw/zinc/04/35/44/1072043544.db2.gz YLUDTIMWXDAHOA-TZMCWYRMSA-N 1 1 440.599 0.771 20 0 ICADMO Cc1nnc(N(C)CCNS(C)(=O)=O)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001543170519 1072047247 /nfs/dbraw/zinc/04/72/47/1072047247.db2.gz GKSSTQZDQAAVNB-UHFFFAOYSA-N 1 1 436.586 0.179 20 0 ICADMO Cc1nnc(N(C)CCNS(C)(=O)=O)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001543171000 1072047319 /nfs/dbraw/zinc/04/73/19/1072047319.db2.gz YUVINBSZELKQMC-INIZCTEOSA-N 1 1 436.582 0.841 20 0 ICADMO Cc1nnc(N(C)CCNS(C)(=O)=O)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001543171000 1072047308 /nfs/dbraw/zinc/04/73/08/1072047308.db2.gz YUVINBSZELKQMC-INIZCTEOSA-N 1 1 436.582 0.841 20 0 ICADMO Cc1nnc(N(C)CCNS(C)(=O)=O)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001543171001 1072047192 /nfs/dbraw/zinc/04/71/92/1072047192.db2.gz YUVINBSZELKQMC-MRXNPFEDSA-N 1 1 436.582 0.841 20 0 ICADMO Cc1nnc(N(C)CCNS(C)(=O)=O)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001543171001 1072047181 /nfs/dbraw/zinc/04/71/81/1072047181.db2.gz YUVINBSZELKQMC-MRXNPFEDSA-N 1 1 436.582 0.841 20 0 ICADMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)CNS(=O)(=O)N(C)C)c1 ZINC001543183230 1072048727 /nfs/dbraw/zinc/04/87/27/1072048727.db2.gz CXNAGBIDDSSTEO-CYBMUJFWSA-N 1 1 429.518 0.973 20 0 ICADMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)CNS(=O)(=O)N(C)C)c1 ZINC001543183230 1072048717 /nfs/dbraw/zinc/04/87/17/1072048717.db2.gz CXNAGBIDDSSTEO-CYBMUJFWSA-N 1 1 429.518 0.973 20 0 ICADMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)CNS(=O)(=O)N(C)C)c1 ZINC001543183231 1072048477 /nfs/dbraw/zinc/04/84/77/1072048477.db2.gz CXNAGBIDDSSTEO-ZDUSSCGKSA-N 1 1 429.518 0.973 20 0 ICADMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)CNS(=O)(=O)N(C)C)c1 ZINC001543183231 1072048469 /nfs/dbraw/zinc/04/84/69/1072048469.db2.gz CXNAGBIDDSSTEO-ZDUSSCGKSA-N 1 1 429.518 0.973 20 0 ICADMO Cc1nnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001543184701 1072048372 /nfs/dbraw/zinc/04/83/72/1072048372.db2.gz NSXBXGNLCLNTLN-DFQSSKMNSA-N 1 1 433.601 0.686 20 0 ICADMO Cc1nnc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001543184702 1072048503 /nfs/dbraw/zinc/04/85/03/1072048503.db2.gz NSXBXGNLCLNTLN-IHPCNDPISA-N 1 1 433.601 0.686 20 0 ICADMO Cc1nnc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001543184703 1072048659 /nfs/dbraw/zinc/04/86/59/1072048659.db2.gz NSXBXGNLCLNTLN-SXLOBPIMSA-N 1 1 433.601 0.686 20 0 ICADMO Cc1nnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001543184704 1072048764 /nfs/dbraw/zinc/04/87/64/1072048764.db2.gz NSXBXGNLCLNTLN-YSIASYRMSA-N 1 1 433.601 0.686 20 0 ICADMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CCC[NH+]2CCN(C(C)C)CC2)CC1 ZINC001543203711 1072049360 /nfs/dbraw/zinc/04/93/60/1072049360.db2.gz ZJPAUHPNNLWLKA-UHFFFAOYSA-N 1 1 441.598 0.931 20 0 ICADMO C[C@@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)Cn1cnc(C(N)=O)n1 ZINC001543213520 1072049789 /nfs/dbraw/zinc/04/97/89/1072049789.db2.gz NRVSYBIJWOOOPU-LLVKDONJSA-N 1 1 436.314 0.919 20 0 ICADMO C[C@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)Cn1cnc(C(N)=O)n1 ZINC001543213521 1072049723 /nfs/dbraw/zinc/04/97/23/1072049723.db2.gz NRVSYBIJWOOOPU-NSHDSACASA-N 1 1 436.314 0.919 20 0 ICADMO Cc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCOCCS(C)(=O)=O ZINC001543224673 1072050304 /nfs/dbraw/zinc/05/03/04/1072050304.db2.gz IIJXYAWPGZOVPA-CALCHBBNSA-N 1 1 443.614 0.973 20 0 ICADMO Cc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001543224866 1072050191 /nfs/dbraw/zinc/05/01/91/1072050191.db2.gz OUSOCHLWVYDGEJ-GOSISDBHSA-N 1 1 434.566 0.635 20 0 ICADMO Cc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001543224867 1072050409 /nfs/dbraw/zinc/05/04/09/1072050409.db2.gz OUSOCHLWVYDGEJ-SFHVURJKSA-N 1 1 434.566 0.635 20 0 ICADMO Cc1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1CCC[NH+]1CCOCC1 ZINC001543226687 1072050763 /nfs/dbraw/zinc/05/07/63/1072050763.db2.gz HECMZBUZFPDFMU-UHFFFAOYSA-N 1 1 430.557 0.689 20 0 ICADMO Cc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001543226876 1072050880 /nfs/dbraw/zinc/05/08/80/1072050880.db2.gz JHFMYFJRPITIBL-GOSISDBHSA-N 1 1 428.603 0.709 20 0 ICADMO Cc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001543226877 1072051020 /nfs/dbraw/zinc/05/10/20/1072051020.db2.gz JHFMYFJRPITIBL-SFHVURJKSA-N 1 1 428.603 0.709 20 0 ICADMO Cc1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001543227705 1072051007 /nfs/dbraw/zinc/05/10/07/1072051007.db2.gz ZIKZZSUJGNLUKU-INIZCTEOSA-N 1 1 430.557 0.687 20 0 ICADMO Cc1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001543227706 1072050977 /nfs/dbraw/zinc/05/09/77/1072050977.db2.gz ZIKZZSUJGNLUKU-MRXNPFEDSA-N 1 1 430.557 0.687 20 0 ICADMO Cc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001543230423 1072051427 /nfs/dbraw/zinc/05/14/27/1072051427.db2.gz LKVWCHUQGDFCBT-GOSISDBHSA-N 1 1 428.603 0.684 20 0 ICADMO Cc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001543230424 1072051273 /nfs/dbraw/zinc/05/12/73/1072051273.db2.gz LKVWCHUQGDFCBT-SFHVURJKSA-N 1 1 428.603 0.684 20 0 ICADMO Cc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001543230723 1072051577 /nfs/dbraw/zinc/05/15/77/1072051577.db2.gz VLMCBGCRNAATLJ-INIZCTEOSA-N 1 1 428.603 0.948 20 0 ICADMO Cc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001543230724 1072051462 /nfs/dbraw/zinc/05/14/62/1072051462.db2.gz VLMCBGCRNAATLJ-MRXNPFEDSA-N 1 1 428.603 0.948 20 0 ICADMO Cc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CCN1CCCS1(=O)=O ZINC001543233318 1072051671 /nfs/dbraw/zinc/05/16/71/1072051671.db2.gz ARKONGTWHKEHLE-UHFFFAOYSA-N 1 1 439.630 0.617 20 0 ICADMO Cc1nnc(N2CCC(N3CCNC3=O)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001543233851 1072051481 /nfs/dbraw/zinc/05/14/81/1072051481.db2.gz JOXRWMOTJSCRBB-GOSISDBHSA-N 1 1 432.573 0.523 20 0 ICADMO Cc1nnc(N2CCC(N3CCNC3=O)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001543233852 1072051302 /nfs/dbraw/zinc/05/13/02/1072051302.db2.gz JOXRWMOTJSCRBB-SFHVURJKSA-N 1 1 432.573 0.523 20 0 ICADMO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001543234682 1072052380 /nfs/dbraw/zinc/05/23/80/1072052380.db2.gz CRIADFTYXPLUOO-CRAIPNDOSA-N 1 1 444.985 0.264 20 0 ICADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001543234682 1072052372 /nfs/dbraw/zinc/05/23/72/1072052372.db2.gz CRIADFTYXPLUOO-CRAIPNDOSA-N 1 1 444.985 0.264 20 0 ICADMO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001543234683 1072052026 /nfs/dbraw/zinc/05/20/26/1072052026.db2.gz CRIADFTYXPLUOO-MAUKXSAKSA-N 1 1 444.985 0.264 20 0 ICADMO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001543234683 1072052015 /nfs/dbraw/zinc/05/20/15/1072052015.db2.gz CRIADFTYXPLUOO-MAUKXSAKSA-N 1 1 444.985 0.264 20 0 ICADMO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001543234684 1072052132 /nfs/dbraw/zinc/05/21/32/1072052132.db2.gz CRIADFTYXPLUOO-QAPCUYQASA-N 1 1 444.985 0.264 20 0 ICADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001543234684 1072052118 /nfs/dbraw/zinc/05/21/18/1072052118.db2.gz CRIADFTYXPLUOO-QAPCUYQASA-N 1 1 444.985 0.264 20 0 ICADMO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001543234685 1072052324 /nfs/dbraw/zinc/05/23/24/1072052324.db2.gz CRIADFTYXPLUOO-YJBOKZPZSA-N 1 1 444.985 0.264 20 0 ICADMO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001543234685 1072052315 /nfs/dbraw/zinc/05/23/15/1072052315.db2.gz CRIADFTYXPLUOO-YJBOKZPZSA-N 1 1 444.985 0.264 20 0 ICADMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)CCN3C(=O)CCNC3=S)c2)C1 ZINC001543238031 1072052083 /nfs/dbraw/zinc/05/20/83/1072052083.db2.gz XQZNJXDAKMUBBV-KRWDZBQOSA-N 1 1 431.562 0.497 20 0 ICADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)CCN3C(=O)CCNC3=S)c2)C1 ZINC001543238033 1072052448 /nfs/dbraw/zinc/05/24/48/1072052448.db2.gz XQZNJXDAKMUBBV-QGZVFWFLSA-N 1 1 431.562 0.497 20 0 ICADMO Cc1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001543271502 1072055156 /nfs/dbraw/zinc/05/51/56/1072055156.db2.gz UQTDGDNIUDWILK-KRWDZBQOSA-N 1 1 427.619 0.378 20 0 ICADMO Cc1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001543271502 1072055147 /nfs/dbraw/zinc/05/51/47/1072055147.db2.gz UQTDGDNIUDWILK-KRWDZBQOSA-N 1 1 427.619 0.378 20 0 ICADMO Cc1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001543271502 1072055140 /nfs/dbraw/zinc/05/51/40/1072055140.db2.gz UQTDGDNIUDWILK-KRWDZBQOSA-N 1 1 427.619 0.378 20 0 ICADMO Cc1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001543271503 1072055065 /nfs/dbraw/zinc/05/50/65/1072055065.db2.gz UQTDGDNIUDWILK-QGZVFWFLSA-N 1 1 427.619 0.378 20 0 ICADMO Cc1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001543271503 1072055057 /nfs/dbraw/zinc/05/50/57/1072055057.db2.gz UQTDGDNIUDWILK-QGZVFWFLSA-N 1 1 427.619 0.378 20 0 ICADMO Cc1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001543271503 1072055048 /nfs/dbraw/zinc/05/50/48/1072055048.db2.gz UQTDGDNIUDWILK-QGZVFWFLSA-N 1 1 427.619 0.378 20 0 ICADMO Cc1nnc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001543273509 1072055648 /nfs/dbraw/zinc/05/56/48/1072055648.db2.gz CYNXNTXYSQDWBF-CRAIPNDOSA-N 1 1 426.587 0.700 20 0 ICADMO Cc1nnc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001543273510 1072055611 /nfs/dbraw/zinc/05/56/11/1072055611.db2.gz CYNXNTXYSQDWBF-MAUKXSAKSA-N 1 1 426.587 0.700 20 0 ICADMO Cc1nnc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001543273511 1072055719 /nfs/dbraw/zinc/05/57/19/1072055719.db2.gz CYNXNTXYSQDWBF-QAPCUYQASA-N 1 1 426.587 0.700 20 0 ICADMO Cc1nnc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001543273512 1072055777 /nfs/dbraw/zinc/05/57/77/1072055777.db2.gz CYNXNTXYSQDWBF-YJBOKZPZSA-N 1 1 426.587 0.700 20 0 ICADMO CN(C(=O)C1(O)CN(C(=O)OCc2ccccc2)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001543278425 1072056412 /nfs/dbraw/zinc/05/64/12/1072056412.db2.gz JONLNLANXCULGJ-FQEVSTJZSA-N 1 1 430.549 0.997 20 0 ICADMO CN(C(=O)C1(O)CN(C(=O)OCc2ccccc2)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001543278425 1072056396 /nfs/dbraw/zinc/05/63/96/1072056396.db2.gz JONLNLANXCULGJ-FQEVSTJZSA-N 1 1 430.549 0.997 20 0 ICADMO CN(C(=O)C1(O)CN(C(=O)OCc2ccccc2)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001543278426 1072056507 /nfs/dbraw/zinc/05/65/07/1072056507.db2.gz JONLNLANXCULGJ-HXUWFJFHSA-N 1 1 430.549 0.997 20 0 ICADMO CN(C(=O)C1(O)CN(C(=O)OCc2ccccc2)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001543278426 1072056493 /nfs/dbraw/zinc/05/64/93/1072056493.db2.gz JONLNLANXCULGJ-HXUWFJFHSA-N 1 1 430.549 0.997 20 0 ICADMO Cc1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001543282939 1072056279 /nfs/dbraw/zinc/05/62/79/1072056279.db2.gz PLLMNKZYIANFJU-MSOLQXFVSA-N 1 1 440.614 0.933 20 0 ICADMO Cc1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001543282939 1072056264 /nfs/dbraw/zinc/05/62/64/1072056264.db2.gz PLLMNKZYIANFJU-MSOLQXFVSA-N 1 1 440.614 0.933 20 0 ICADMO Cc1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001543282940 1072056143 /nfs/dbraw/zinc/05/61/43/1072056143.db2.gz PLLMNKZYIANFJU-QZTJIDSGSA-N 1 1 440.614 0.933 20 0 ICADMO Cc1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001543282940 1072056133 /nfs/dbraw/zinc/05/61/33/1072056133.db2.gz PLLMNKZYIANFJU-QZTJIDSGSA-N 1 1 440.614 0.933 20 0 ICADMO Cc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001543282941 1072056367 /nfs/dbraw/zinc/05/63/67/1072056367.db2.gz PLLMNKZYIANFJU-ROUUACIJSA-N 1 1 440.614 0.933 20 0 ICADMO Cc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001543282941 1072056356 /nfs/dbraw/zinc/05/63/56/1072056356.db2.gz PLLMNKZYIANFJU-ROUUACIJSA-N 1 1 440.614 0.933 20 0 ICADMO Cc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001543282942 1072057106 /nfs/dbraw/zinc/05/71/06/1072057106.db2.gz PLLMNKZYIANFJU-ZWKOTPCHSA-N 1 1 440.614 0.933 20 0 ICADMO Cc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001543282942 1072057101 /nfs/dbraw/zinc/05/71/01/1072057101.db2.gz PLLMNKZYIANFJU-ZWKOTPCHSA-N 1 1 440.614 0.933 20 0 ICADMO CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001543283450 1072057147 /nfs/dbraw/zinc/05/71/47/1072057147.db2.gz KFDTZYDASZBQRX-GQIGUUNPSA-N 1 1 427.567 0.869 20 0 ICADMO CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001543283450 1072057140 /nfs/dbraw/zinc/05/71/40/1072057140.db2.gz KFDTZYDASZBQRX-GQIGUUNPSA-N 1 1 427.567 0.869 20 0 ICADMO CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001543283452 1072057061 /nfs/dbraw/zinc/05/70/61/1072057061.db2.gz KFDTZYDASZBQRX-JXXFODFXSA-N 1 1 427.567 0.869 20 0 ICADMO CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001543283452 1072057052 /nfs/dbraw/zinc/05/70/52/1072057052.db2.gz KFDTZYDASZBQRX-JXXFODFXSA-N 1 1 427.567 0.869 20 0 ICADMO CCC[C@@H](C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)S(N)(=O)=O ZINC001543294186 1072057738 /nfs/dbraw/zinc/05/77/38/1072057738.db2.gz YEWXAHMAELHRNJ-KRWDZBQOSA-N 1 1 426.539 0.421 20 0 ICADMO CCC[C@H](C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)S(N)(=O)=O ZINC001543294208 1072057723 /nfs/dbraw/zinc/05/77/23/1072057723.db2.gz YEWXAHMAELHRNJ-QGZVFWFLSA-N 1 1 426.539 0.421 20 0 ICADMO Cc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001543294427 1072057567 /nfs/dbraw/zinc/05/75/67/1072057567.db2.gz WQCMGLBYSSMGQI-FQEVSTJZSA-N 1 1 448.593 0.673 20 0 ICADMO Cc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001543294443 1072057597 /nfs/dbraw/zinc/05/75/97/1072057597.db2.gz WQCMGLBYSSMGQI-HXUWFJFHSA-N 1 1 448.593 0.673 20 0 ICADMO Cc1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1CC[N@H+](C)Cc1ccccc1 ZINC001543296362 1072057700 /nfs/dbraw/zinc/05/77/00/1072057700.db2.gz DCQFJZDLESFTQG-UHFFFAOYSA-N 1 1 439.564 0.990 20 0 ICADMO Cc1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001543296829 1072058030 /nfs/dbraw/zinc/05/80/30/1072058030.db2.gz XEYWIQOZHZYCSI-GOSISDBHSA-N 1 1 431.585 0.978 20 0 ICADMO Cc1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001543296830 1072058081 /nfs/dbraw/zinc/05/80/81/1072058081.db2.gz XEYWIQOZHZYCSI-SFHVURJKSA-N 1 1 431.585 0.978 20 0 ICADMO Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 ZINC001543301095 1072058207 /nfs/dbraw/zinc/05/82/07/1072058207.db2.gz KCOIDIZKCTXSMU-BJLQDIEVSA-N 1 1 433.601 0.829 20 0 ICADMO Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 ZINC001543301095 1072058199 /nfs/dbraw/zinc/05/81/99/1072058199.db2.gz KCOIDIZKCTXSMU-BJLQDIEVSA-N 1 1 433.601 0.829 20 0 ICADMO Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 ZINC001543301096 1072058266 /nfs/dbraw/zinc/05/82/66/1072058266.db2.gz KCOIDIZKCTXSMU-GGPKGHCWSA-N 1 1 433.601 0.829 20 0 ICADMO Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 ZINC001543301096 1072058258 /nfs/dbraw/zinc/05/82/58/1072058258.db2.gz KCOIDIZKCTXSMU-GGPKGHCWSA-N 1 1 433.601 0.829 20 0 ICADMO Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001543301097 1072058367 /nfs/dbraw/zinc/05/83/67/1072058367.db2.gz KCOIDIZKCTXSMU-NSHGMRRFSA-N 1 1 433.601 0.829 20 0 ICADMO Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001543301097 1072058362 /nfs/dbraw/zinc/05/83/62/1072058362.db2.gz KCOIDIZKCTXSMU-NSHGMRRFSA-N 1 1 433.601 0.829 20 0 ICADMO Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001543301098 1072057999 /nfs/dbraw/zinc/05/79/99/1072057999.db2.gz KCOIDIZKCTXSMU-WSTZPKSXSA-N 1 1 433.601 0.829 20 0 ICADMO Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001543301098 1072057987 /nfs/dbraw/zinc/05/79/87/1072057987.db2.gz KCOIDIZKCTXSMU-WSTZPKSXSA-N 1 1 433.601 0.829 20 0 ICADMO Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001543301497 1072058841 /nfs/dbraw/zinc/05/88/41/1072058841.db2.gz WDZXNYKWOODSPH-KDURUIRLSA-N 1 1 433.601 0.830 20 0 ICADMO Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 ZINC001543301502 1072058976 /nfs/dbraw/zinc/05/89/76/1072058976.db2.gz WDZXNYKWOODSPH-OALUTQOASA-N 1 1 433.601 0.830 20 0 ICADMO Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 ZINC001543301503 1072058809 /nfs/dbraw/zinc/05/88/09/1072058809.db2.gz WDZXNYKWOODSPH-RTBURBONSA-N 1 1 433.601 0.830 20 0 ICADMO Cc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001543301654 1072058936 /nfs/dbraw/zinc/05/89/36/1072058936.db2.gz YQUPPLLGYAJCFQ-NRFANRHFSA-N 1 1 447.628 0.935 20 0 ICADMO Cc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001543301660 1072058789 /nfs/dbraw/zinc/05/87/89/1072058789.db2.gz YQUPPLLGYAJCFQ-OAQYLSRUSA-N 1 1 447.628 0.935 20 0 ICADMO Cc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001543301694 1072058864 /nfs/dbraw/zinc/05/88/64/1072058864.db2.gz ZCDJBUTWJZLALX-MOPGFXCFSA-N 1 1 433.601 0.688 20 0 ICADMO Cc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001543301696 1072058919 /nfs/dbraw/zinc/05/89/19/1072058919.db2.gz ZCDJBUTWJZLALX-OALUTQOASA-N 1 1 433.601 0.688 20 0 ICADMO Cc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001543301698 1072059700 /nfs/dbraw/zinc/05/97/00/1072059700.db2.gz ZCDJBUTWJZLALX-RBUKOAKNSA-N 1 1 433.601 0.688 20 0 ICADMO Cc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001543301699 1072059471 /nfs/dbraw/zinc/05/94/71/1072059471.db2.gz ZCDJBUTWJZLALX-RTBURBONSA-N 1 1 433.601 0.688 20 0 ICADMO Cc1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001543303828 1072059674 /nfs/dbraw/zinc/05/96/74/1072059674.db2.gz PHOIIXLMFOJNMR-IBGZPJMESA-N 1 1 435.573 0.518 20 0 ICADMO Cc1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001543303830 1072059567 /nfs/dbraw/zinc/05/95/67/1072059567.db2.gz PHOIIXLMFOJNMR-LJQANCHMSA-N 1 1 435.573 0.518 20 0 ICADMO Cc1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001543304243 1072059451 /nfs/dbraw/zinc/05/94/51/1072059451.db2.gz YALWECILKQHDIL-IBGZPJMESA-N 1 1 435.573 0.398 20 0 ICADMO Cc1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001543304244 1072059536 /nfs/dbraw/zinc/05/95/36/1072059536.db2.gz YALWECILKQHDIL-LJQANCHMSA-N 1 1 435.573 0.398 20 0 ICADMO Cc1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001543304265 1072059497 /nfs/dbraw/zinc/05/94/97/1072059497.db2.gz YORAWHFEYOXDQN-UHFFFAOYSA-N 1 1 448.616 0.434 20 0 ICADMO Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001543306632 1072060258 /nfs/dbraw/zinc/06/02/58/1072060258.db2.gz PSEQKUDCLOCTJE-IBGZPJMESA-N 1 1 440.548 0.596 20 0 ICADMO Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001543306633 1072060080 /nfs/dbraw/zinc/06/00/80/1072060080.db2.gz PSEQKUDCLOCTJE-LJQANCHMSA-N 1 1 440.548 0.596 20 0 ICADMO CCOc1cc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)ccc1OCC(=O)OC ZINC001543306941 1072060654 /nfs/dbraw/zinc/06/06/54/1072060654.db2.gz TUTOCJPCZFYKHW-GOSISDBHSA-N 1 1 435.521 0.773 20 0 ICADMO CCOc1cc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)ccc1OCC(=O)OC ZINC001543306942 1072060550 /nfs/dbraw/zinc/06/05/50/1072060550.db2.gz TUTOCJPCZFYKHW-SFHVURJKSA-N 1 1 435.521 0.773 20 0 ICADMO CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001543309275 1072061337 /nfs/dbraw/zinc/06/13/37/1072061337.db2.gz BWSHDJOZZCOBCE-MSOLQXFVSA-N 1 1 428.574 0.827 20 0 ICADMO CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001543309278 1072061211 /nfs/dbraw/zinc/06/12/11/1072061211.db2.gz BWSHDJOZZCOBCE-ROUUACIJSA-N 1 1 428.574 0.827 20 0 ICADMO CC(C)(C)OC(=O)NC[C@@]1(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CCCOC1 ZINC001543310173 1072061081 /nfs/dbraw/zinc/06/10/81/1072061081.db2.gz QTCQCOTUNPLQQH-AVRDEDQJSA-N 1 1 440.585 0.831 20 0 ICADMO CC(C)(C)OC(=O)NC[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CCCOC1 ZINC001543310174 1072061119 /nfs/dbraw/zinc/06/11/19/1072061119.db2.gz QTCQCOTUNPLQQH-GCJKJVERSA-N 1 1 440.585 0.831 20 0 ICADMO CC(C)(C)OC(=O)NC[C@]1(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CCCOC1 ZINC001543310175 1072061446 /nfs/dbraw/zinc/06/14/46/1072061446.db2.gz QTCQCOTUNPLQQH-PGRDOPGGSA-N 1 1 440.585 0.831 20 0 ICADMO CC(C)(C)OC(=O)NC[C@]1(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CCCOC1 ZINC001543310176 1072061504 /nfs/dbraw/zinc/06/15/04/1072061504.db2.gz QTCQCOTUNPLQQH-XMSQKQJNSA-N 1 1 440.585 0.831 20 0 ICADMO CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001543310351 1072061166 /nfs/dbraw/zinc/06/11/66/1072061166.db2.gz VAYWBINWEPIHDA-BZSNNMDCSA-N 1 1 426.558 0.439 20 0 ICADMO CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001543310352 1072061395 /nfs/dbraw/zinc/06/13/95/1072061395.db2.gz VAYWBINWEPIHDA-KSZLIROESA-N 1 1 426.558 0.439 20 0 ICADMO CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001543310353 1072061476 /nfs/dbraw/zinc/06/14/76/1072061476.db2.gz VAYWBINWEPIHDA-KURKYZTESA-N 1 1 426.558 0.439 20 0 ICADMO CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001543310354 1072061536 /nfs/dbraw/zinc/06/15/36/1072061536.db2.gz VAYWBINWEPIHDA-SQNIBIBYSA-N 1 1 426.558 0.439 20 0 ICADMO CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001543310422 1072061561 /nfs/dbraw/zinc/06/15/61/1072061561.db2.gz WQESNBRFRTVEOE-DYESRHJHSA-N 1 1 426.558 0.271 20 0 ICADMO CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001543310423 1072061274 /nfs/dbraw/zinc/06/12/74/1072061274.db2.gz WQESNBRFRTVEOE-LAUBAEHRSA-N 1 1 426.558 0.271 20 0 ICADMO CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001543310424 1072061964 /nfs/dbraw/zinc/06/19/64/1072061964.db2.gz WQESNBRFRTVEOE-UTKZUKDTSA-N 1 1 426.558 0.271 20 0 ICADMO CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001543310425 1072062092 /nfs/dbraw/zinc/06/20/92/1072062092.db2.gz WQESNBRFRTVEOE-UWJYYQICSA-N 1 1 426.558 0.271 20 0 ICADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1COCCN1C(=O)OCc1ccccc1 ZINC001543310518 1072061864 /nfs/dbraw/zinc/06/18/64/1072061864.db2.gz ZASSRALTZYJYHM-LEWJYISDSA-N 1 1 446.548 0.547 20 0 ICADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1COCCN1C(=O)OCc1ccccc1 ZINC001543310519 1072062061 /nfs/dbraw/zinc/06/20/61/1072062061.db2.gz ZASSRALTZYJYHM-NHCUHLMSSA-N 1 1 446.548 0.547 20 0 ICADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1COCCN1C(=O)OCc1ccccc1 ZINC001543310520 1072061778 /nfs/dbraw/zinc/06/17/78/1072061778.db2.gz ZASSRALTZYJYHM-RTWAWAEBSA-N 1 1 446.548 0.547 20 0 ICADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1COCCN1C(=O)OCc1ccccc1 ZINC001543310521 1072062032 /nfs/dbraw/zinc/06/20/32/1072062032.db2.gz ZASSRALTZYJYHM-SFTDATJTSA-N 1 1 446.548 0.547 20 0 ICADMO Cc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001543315636 1072062439 /nfs/dbraw/zinc/06/24/39/1072062439.db2.gz FNKOXIUKGHISMA-UHFFFAOYSA-N 1 1 441.584 0.433 20 0 ICADMO Cc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001543315636 1072062427 /nfs/dbraw/zinc/06/24/27/1072062427.db2.gz FNKOXIUKGHISMA-UHFFFAOYSA-N 1 1 441.584 0.433 20 0 ICADMO Cc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001543315636 1072062423 /nfs/dbraw/zinc/06/24/23/1072062423.db2.gz FNKOXIUKGHISMA-UHFFFAOYSA-N 1 1 441.584 0.433 20 0 ICADMO Cc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001543315699 1072062499 /nfs/dbraw/zinc/06/24/99/1072062499.db2.gz HIYXCNSXQQSLCU-GOSISDBHSA-N 1 1 442.568 0.644 20 0 ICADMO Cc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001543315700 1072062570 /nfs/dbraw/zinc/06/25/70/1072062570.db2.gz HIYXCNSXQQSLCU-SFHVURJKSA-N 1 1 442.568 0.644 20 0 ICADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)cn1 ZINC001543318639 1072063088 /nfs/dbraw/zinc/06/30/88/1072063088.db2.gz HCRMGJQGPVJCNF-GOSISDBHSA-N 1 1 438.463 0.934 20 0 ICADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)cn1 ZINC001543318644 1072063108 /nfs/dbraw/zinc/06/31/08/1072063108.db2.gz HCRMGJQGPVJCNF-SFHVURJKSA-N 1 1 438.463 0.934 20 0 ICADMO Cc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@@H](C)N1CCOCC1 ZINC001543325343 1072064269 /nfs/dbraw/zinc/06/42/69/1072064269.db2.gz MXWRTIFFIZOBCC-CTNGQTDRSA-N 1 1 444.580 0.869 20 0 ICADMO Cc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@H](C)N1CCOCC1 ZINC001543325344 1072064307 /nfs/dbraw/zinc/06/43/07/1072064307.db2.gz MXWRTIFFIZOBCC-FPOVZHCZSA-N 1 1 444.580 0.869 20 0 ICADMO Cc1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1C[C@H](C)N1CCOCC1 ZINC001543325345 1072064094 /nfs/dbraw/zinc/06/40/94/1072064094.db2.gz MXWRTIFFIZOBCC-PZJWPPBQSA-N 1 1 444.580 0.869 20 0 ICADMO Cc1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1C[C@@H](C)N1CCOCC1 ZINC001543325346 1072064216 /nfs/dbraw/zinc/06/42/16/1072064216.db2.gz MXWRTIFFIZOBCC-TZIWHRDSSA-N 1 1 444.580 0.869 20 0 ICADMO Cc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CCNC(=O)C1CC1 ZINC001543325589 1072064325 /nfs/dbraw/zinc/06/43/25/1072064325.db2.gz ULALFZVJPZBTIL-IBGZPJMESA-N 1 1 428.537 0.675 20 0 ICADMO Cc1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CCNC(=O)C1CC1 ZINC001543325590 1072064334 /nfs/dbraw/zinc/06/43/34/1072064334.db2.gz ULALFZVJPZBTIL-LJQANCHMSA-N 1 1 428.537 0.675 20 0 ICADMO Cc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CC(=O)NCC(F)F ZINC001543325661 1072064022 /nfs/dbraw/zinc/06/40/22/1072064022.db2.gz WPPNTNXFZJCHAJ-INIZCTEOSA-N 1 1 438.479 0.530 20 0 ICADMO Cc1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CC(=O)NCC(F)F ZINC001543325662 1072064196 /nfs/dbraw/zinc/06/41/96/1072064196.db2.gz WPPNTNXFZJCHAJ-MRXNPFEDSA-N 1 1 438.479 0.530 20 0 ICADMO Cc1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001543328980 1072064292 /nfs/dbraw/zinc/06/42/92/1072064292.db2.gz NOCDKWSUKUVGPB-UHFFFAOYSA-N 1 1 437.541 0.988 20 0 ICADMO Cc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCCC(=O)NC1CC1 ZINC001543331017 1072064603 /nfs/dbraw/zinc/06/46/03/1072064603.db2.gz MOOKYFMTCFJRFZ-FQEVSTJZSA-N 1 1 433.601 0.877 20 0 ICADMO Cc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCCC(=O)NC1CC1 ZINC001543331018 1072065115 /nfs/dbraw/zinc/06/51/15/1072065115.db2.gz MOOKYFMTCFJRFZ-HXUWFJFHSA-N 1 1 433.601 0.877 20 0 ICADMO Cc1nnc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n1CCNS(C)(=O)=O ZINC001543331719 1072065031 /nfs/dbraw/zinc/06/50/31/1072065031.db2.gz WGGDDDYDOLLSDM-UHFFFAOYSA-N 1 1 435.598 0.390 20 0 ICADMO Cc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CC1(C(N)=O)CCCC1 ZINC001543331923 1072065181 /nfs/dbraw/zinc/06/51/81/1072065181.db2.gz YVFQDRVEBNBQQI-IBGZPJMESA-N 1 1 433.601 0.863 20 0 ICADMO Cc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CC1(C(N)=O)CCCC1 ZINC001543331924 1072064936 /nfs/dbraw/zinc/06/49/36/1072064936.db2.gz YVFQDRVEBNBQQI-LJQANCHMSA-N 1 1 433.601 0.863 20 0 ICADMO Cc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCOCCS(C)(=O)=O ZINC001543331969 1072064784 /nfs/dbraw/zinc/06/47/84/1072064784.db2.gz ZTUNOVPRIFEIQU-HDICACEKSA-N 1 1 442.630 0.643 20 0 ICADMO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001543333118 1072065538 /nfs/dbraw/zinc/06/55/38/1072065538.db2.gz FDPJTPYCQPPGRH-PBHICJAKSA-N 1 1 431.928 0.690 20 0 ICADMO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001543333119 1072065670 /nfs/dbraw/zinc/06/56/70/1072065670.db2.gz FDPJTPYCQPPGRH-RHSMWYFYSA-N 1 1 431.928 0.690 20 0 ICADMO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001543333120 1072065496 /nfs/dbraw/zinc/06/54/96/1072065496.db2.gz FDPJTPYCQPPGRH-WMLDXEAASA-N 1 1 431.928 0.690 20 0 ICADMO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001543333121 1072065647 /nfs/dbraw/zinc/06/56/47/1072065647.db2.gz FDPJTPYCQPPGRH-YOEHRIQHSA-N 1 1 431.928 0.690 20 0 ICADMO Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001543333682 1072066202 /nfs/dbraw/zinc/06/62/02/1072066202.db2.gz OWCMKNAQAJTKEP-FQEVSTJZSA-N 1 1 448.593 0.959 20 0 ICADMO Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001543333685 1072066288 /nfs/dbraw/zinc/06/62/88/1072066288.db2.gz OWCMKNAQAJTKEP-HXUWFJFHSA-N 1 1 448.593 0.959 20 0 ICADMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)CN2CCC(=O)NC2=O)CC1 ZINC001543337963 1072066617 /nfs/dbraw/zinc/06/66/17/1072066617.db2.gz ZKLIJRZDLGSMBB-UHFFFAOYSA-N 1 1 425.287 0.476 20 0 ICADMO Cc1[nH+]ccn1CCCNC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 ZINC001543376041 1072068804 /nfs/dbraw/zinc/06/88/04/1072068804.db2.gz VATUVPWTAKDXKT-DNVCBOLYSA-N 1 1 426.539 0.980 20 0 ICADMO CC(C)N1CC[NH+](CCCC(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001543387813 1072068782 /nfs/dbraw/zinc/06/87/82/1072068782.db2.gz DEPUPYFLIWOTRO-UHFFFAOYSA-N 1 1 439.601 0.988 20 0 ICADMO Cc1noc(C)c1CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001543390123 1072069464 /nfs/dbraw/zinc/06/94/64/1072069464.db2.gz IVTRGHWNRWVMHN-ACJLOTCBSA-N 1 1 441.558 0.196 20 0 ICADMO Cc1noc(C)c1CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001543390124 1072069392 /nfs/dbraw/zinc/06/93/92/1072069392.db2.gz IVTRGHWNRWVMHN-FZKQIMNGSA-N 1 1 441.558 0.196 20 0 ICADMO Cc1noc(C)c1CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001543390125 1072069336 /nfs/dbraw/zinc/06/93/36/1072069336.db2.gz IVTRGHWNRWVMHN-SCLBCKFNSA-N 1 1 441.558 0.196 20 0 ICADMO Cc1noc(C)c1CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001543390126 1072069380 /nfs/dbraw/zinc/06/93/80/1072069380.db2.gz IVTRGHWNRWVMHN-UGSOOPFHSA-N 1 1 441.558 0.196 20 0 ICADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3nc4ncc(CCO)cn4n3)CC2)CC1 ZINC001543399808 1072070499 /nfs/dbraw/zinc/07/04/99/1072070499.db2.gz JCRVSAVSVBDYJI-UHFFFAOYSA-N 1 1 429.525 0.066 20 0 ICADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C3(O)CN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001543399994 1072070551 /nfs/dbraw/zinc/07/05/51/1072070551.db2.gz QIILYDDSPPUBRK-UHFFFAOYSA-N 1 1 438.569 0.761 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cnccn2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001543488678 1072075498 /nfs/dbraw/zinc/07/54/98/1072075498.db2.gz DDUBLCGOEXKEJM-INIZCTEOSA-N 1 1 427.557 0.428 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cnccn2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001543488678 1072075490 /nfs/dbraw/zinc/07/54/90/1072075490.db2.gz DDUBLCGOEXKEJM-INIZCTEOSA-N 1 1 427.557 0.428 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cnccn2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001543488678 1072075478 /nfs/dbraw/zinc/07/54/78/1072075478.db2.gz DDUBLCGOEXKEJM-INIZCTEOSA-N 1 1 427.557 0.428 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cnccn2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001543488682 1072075577 /nfs/dbraw/zinc/07/55/77/1072075577.db2.gz DDUBLCGOEXKEJM-MRXNPFEDSA-N 1 1 427.557 0.428 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cnccn2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001543488682 1072075568 /nfs/dbraw/zinc/07/55/68/1072075568.db2.gz DDUBLCGOEXKEJM-MRXNPFEDSA-N 1 1 427.557 0.428 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cnccn2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001543488682 1072075559 /nfs/dbraw/zinc/07/55/59/1072075559.db2.gz DDUBLCGOEXKEJM-MRXNPFEDSA-N 1 1 427.557 0.428 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccn2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001543498111 1072076940 /nfs/dbraw/zinc/07/69/40/1072076940.db2.gz ASMMTUCLLQZKLA-GOSISDBHSA-N 1 1 440.596 0.957 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccn2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001543498111 1072076930 /nfs/dbraw/zinc/07/69/30/1072076930.db2.gz ASMMTUCLLQZKLA-GOSISDBHSA-N 1 1 440.596 0.957 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccn2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001543498111 1072076920 /nfs/dbraw/zinc/07/69/20/1072076920.db2.gz ASMMTUCLLQZKLA-GOSISDBHSA-N 1 1 440.596 0.957 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccn2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001543498112 1072076842 /nfs/dbraw/zinc/07/68/42/1072076842.db2.gz ASMMTUCLLQZKLA-SFHVURJKSA-N 1 1 440.596 0.957 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccn2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001543498112 1072076834 /nfs/dbraw/zinc/07/68/34/1072076834.db2.gz ASMMTUCLLQZKLA-SFHVURJKSA-N 1 1 440.596 0.957 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccn2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001543498112 1072076826 /nfs/dbraw/zinc/07/68/26/1072076826.db2.gz ASMMTUCLLQZKLA-SFHVURJKSA-N 1 1 440.596 0.957 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001543499214 1072077009 /nfs/dbraw/zinc/07/70/09/1072077009.db2.gz PFVSBFFHLWRDOD-HKUYNNGSSA-N 1 1 427.553 0.778 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2cccnc2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001543499216 1072076774 /nfs/dbraw/zinc/07/67/74/1072076774.db2.gz PFVSBFFHLWRDOD-IEBWSBKVSA-N 1 1 427.553 0.778 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001543499218 1072076904 /nfs/dbraw/zinc/07/69/04/1072076904.db2.gz PFVSBFFHLWRDOD-MJGOQNOKSA-N 1 1 427.553 0.778 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2cccnc2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001543499219 1072076984 /nfs/dbraw/zinc/07/69/84/1072076984.db2.gz PFVSBFFHLWRDOD-PKOBYXMFSA-N 1 1 427.553 0.778 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(CC2CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001543499862 1072077539 /nfs/dbraw/zinc/07/75/39/1072077539.db2.gz YJTYAXMELOXIAA-AEFFLSMTSA-N 1 1 431.585 0.840 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(CC2CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001543499864 1072077416 /nfs/dbraw/zinc/07/74/16/1072077416.db2.gz YJTYAXMELOXIAA-FUHWJXTLSA-N 1 1 431.585 0.840 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(CC2CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001543499865 1072077493 /nfs/dbraw/zinc/07/74/93/1072077493.db2.gz YJTYAXMELOXIAA-SJLPKXTDSA-N 1 1 431.585 0.840 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(CC2CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001543499866 1072077461 /nfs/dbraw/zinc/07/74/61/1072077461.db2.gz YJTYAXMELOXIAA-WMZOPIPTSA-N 1 1 431.585 0.840 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(CN2CCCC2=O)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001543505410 1072077998 /nfs/dbraw/zinc/07/79/98/1072077998.db2.gz HHUCQRMEAVHGCK-INIZCTEOSA-N 1 1 433.557 0.178 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(CN2CCCC2=O)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001543505410 1072077989 /nfs/dbraw/zinc/07/79/89/1072077989.db2.gz HHUCQRMEAVHGCK-INIZCTEOSA-N 1 1 433.557 0.178 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(CN2CCCC2=O)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001543505411 1072077844 /nfs/dbraw/zinc/07/78/44/1072077844.db2.gz HHUCQRMEAVHGCK-MRXNPFEDSA-N 1 1 433.557 0.178 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(CN2CCCC2=O)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001543505411 1072077840 /nfs/dbraw/zinc/07/78/40/1072077840.db2.gz HHUCQRMEAVHGCK-MRXNPFEDSA-N 1 1 433.557 0.178 20 0 ICADMO COc1cc2nc(C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)c(=O)n(C)c2cc1OC ZINC001543505955 1072077820 /nfs/dbraw/zinc/07/78/20/1072077820.db2.gz BQHSNRXHQHBZNV-HNNXBMFYSA-N 1 1 429.521 0.803 20 0 ICADMO COc1cc2nc(C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)c(=O)n(C)c2cc1OC ZINC001543505961 1072077957 /nfs/dbraw/zinc/07/79/57/1072077957.db2.gz BQHSNRXHQHBZNV-OAHLLOKOSA-N 1 1 429.521 0.803 20 0 ICADMO COC[C@]1(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001543507401 1072078358 /nfs/dbraw/zinc/07/83/58/1072078358.db2.gz MAQNPAJNFKVVGM-AVRDEDQJSA-N 1 1 440.585 0.877 20 0 ICADMO COC[C@]1(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001543507406 1072078316 /nfs/dbraw/zinc/07/83/16/1072078316.db2.gz MAQNPAJNFKVVGM-GCJKJVERSA-N 1 1 440.585 0.877 20 0 ICADMO COC[C@@]1(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001543507411 1072078411 /nfs/dbraw/zinc/07/84/11/1072078411.db2.gz MAQNPAJNFKVVGM-PGRDOPGGSA-N 1 1 440.585 0.877 20 0 ICADMO COC[C@@]1(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001543507413 1072078418 /nfs/dbraw/zinc/07/84/18/1072078418.db2.gz MAQNPAJNFKVVGM-XMSQKQJNSA-N 1 1 440.585 0.877 20 0 ICADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cn(C4CN(C(=O)OC(C)(C)C)C4)nn3)CC2)C1 ZINC001543508861 1072078892 /nfs/dbraw/zinc/07/88/92/1072078892.db2.gz UOGHOUIIERPLPF-INIZCTEOSA-N 1 1 433.557 0.922 20 0 ICADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cn(C4CN(C(=O)OC(C)(C)C)C4)nn3)CC2)C1 ZINC001543508864 1072078828 /nfs/dbraw/zinc/07/88/28/1072078828.db2.gz UOGHOUIIERPLPF-MRXNPFEDSA-N 1 1 433.557 0.922 20 0 ICADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cccc(S(=O)(=O)N=S(C)(C)=O)c3)CC2)C1 ZINC001543508955 1072078804 /nfs/dbraw/zinc/07/88/04/1072078804.db2.gz VNBANNXOLWBIPX-KRWDZBQOSA-N 1 1 442.607 0.955 20 0 ICADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cccc(S(=O)(=O)N=S(C)(C)=O)c3)CC2)C1 ZINC001543508965 1072078964 /nfs/dbraw/zinc/07/89/64/1072078964.db2.gz VNBANNXOLWBIPX-QGZVFWFLSA-N 1 1 442.607 0.955 20 0 ICADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CNS(=O)(=O)c3ccccc3N)cc2)CC1 ZINC001543530135 1072079371 /nfs/dbraw/zinc/07/93/71/1072079371.db2.gz IVPMRZDJBYTKAE-UHFFFAOYSA-N 1 1 445.545 0.502 20 0 ICADMO CN(C)S(=O)(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)C1 ZINC001543558962 1072080265 /nfs/dbraw/zinc/08/02/65/1072080265.db2.gz YAYUGQBQTWRNEZ-QZTJIDSGSA-N 1 1 449.602 0.966 20 0 ICADMO Cn1cc(C(=O)NCCCCN2CC[NH+](C)CC2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC001543569869 1072080758 /nfs/dbraw/zinc/08/07/58/1072080758.db2.gz FZUXZEOYUZKGRZ-UHFFFAOYSA-N 1 1 438.532 0.974 20 0 ICADMO C[NH+]1CCN(CCCCNC(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)CC1 ZINC001543569919 1072080722 /nfs/dbraw/zinc/08/07/22/1072080722.db2.gz GPBPSLVQDBLTHW-UHFFFAOYSA-N 1 1 430.596 0.860 20 0 ICADMO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC001543616724 1072081959 /nfs/dbraw/zinc/08/19/59/1072081959.db2.gz MVGARDYDCHUADA-UHFFFAOYSA-N 1 1 445.564 0.751 20 0 ICADMO Cc1cnc(S(C)(=O)=O)nc1C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC001543617365 1072082395 /nfs/dbraw/zinc/08/23/95/1072082395.db2.gz UVLSMDIDZPTYJG-UHFFFAOYSA-N 1 1 431.518 0.757 20 0 ICADMO COC(=O)[C@@H]1CCCN(CC(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)C1=O ZINC001543617378 1072082343 /nfs/dbraw/zinc/08/23/43/1072082343.db2.gz VBNYWORQQRXGPM-GOSISDBHSA-N 1 1 430.505 0.353 20 0 ICADMO COC(=O)[C@H]1CCCN(CC(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)C1=O ZINC001543617379 1072082452 /nfs/dbraw/zinc/08/24/52/1072082452.db2.gz VBNYWORQQRXGPM-SFHVURJKSA-N 1 1 430.505 0.353 20 0 ICADMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001543664162 1072083878 /nfs/dbraw/zinc/08/38/78/1072083878.db2.gz LLNGDHAPLMJVJI-OWCLPIDISA-N 1 1 445.607 0.851 20 0 ICADMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001543664166 1072083789 /nfs/dbraw/zinc/08/37/89/1072083789.db2.gz LLNGDHAPLMJVJI-XHSDSOJGSA-N 1 1 445.607 0.851 20 0 ICADMO 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426.587 0.845 20 0 ICADMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cc4n(n3)CCN(C)S4(=O)=O)cc2)CC1 ZINC001543808736 1072090864 /nfs/dbraw/zinc/09/08/64/1072090864.db2.gz GVTXNVYHKXNGLS-UHFFFAOYSA-N 1 1 432.550 0.907 20 0 ICADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)CC1 ZINC001543808820 1072090947 /nfs/dbraw/zinc/09/09/47/1072090947.db2.gz IYEDXTLZXMCSRF-UHFFFAOYSA-N 1 1 446.577 0.585 20 0 ICADMO CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@]2(C)C[C@H](O)CN2C(=O)OC(C)(C)C)CC1 ZINC001543814916 1072091055 /nfs/dbraw/zinc/09/10/55/1072091055.db2.gz FHIMRAHDVRGZMN-HRAATJIYSA-N 1 1 426.558 0.854 20 0 ICADMO CCCNC(=O)C[NH+]1CCC(NC(=O)[C@]2(C)C[C@@H](O)CN2C(=O)OC(C)(C)C)CC1 ZINC001543814919 1072090787 /nfs/dbraw/zinc/09/07/87/1072090787.db2.gz FHIMRAHDVRGZMN-IERDGZPVSA-N 1 1 426.558 0.854 20 0 ICADMO CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@]2(C)C[C@@H](O)CN2C(=O)OC(C)(C)C)CC1 ZINC001543814996 1072091317 /nfs/dbraw/zinc/09/13/17/1072091317.db2.gz FHIMRAHDVRGZMN-IIBYNOLFSA-N 1 1 426.558 0.854 20 0 ICADMO 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O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001543959902 1072095396 /nfs/dbraw/zinc/09/53/96/1072095396.db2.gz SGNVJAGWIOTGCH-HNNXBMFYSA-N 1 1 447.927 0.982 20 0 ICADMO O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001543959909 1072095159 /nfs/dbraw/zinc/09/51/59/1072095159.db2.gz SGNVJAGWIOTGCH-OAHLLOKOSA-N 1 1 447.927 0.982 20 0 ICADMO CN1CC[NH+](Cc2ccc(CNC(=O)c3cc4c(s3)n(C)c(=O)n(C)c4=O)cc2)CC1 ZINC001543968175 1072095203 /nfs/dbraw/zinc/09/52/03/1072095203.db2.gz ILRZNXLUHXDQRJ-UHFFFAOYSA-N 1 1 441.557 0.976 20 0 ICADMO C[C@H]1CCCC[N@H+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)C1 ZINC001544016178 1072098208 /nfs/dbraw/zinc/09/82/08/1072098208.db2.gz COGYHENHIVMKDA-DLBZAZTESA-N 1 1 438.598 0.771 20 0 ICADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)C1 ZINC001544016179 1072098296 /nfs/dbraw/zinc/09/82/96/1072098296.db2.gz COGYHENHIVMKDA-IAGOWNOFSA-N 1 1 438.598 0.771 20 0 ICADMO 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C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(Cc2ccccn2)n1CCS(=O)(=O)N(C)C ZINC001545104475 1072166914 /nfs/dbraw/zinc/16/69/14/1072166914.db2.gz RBKFZODUTOCXSM-WMZOPIPTSA-N 1 1 433.582 0.828 20 0 ICADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)cc1 ZINC001545113452 1072168528 /nfs/dbraw/zinc/16/85/28/1072168528.db2.gz UCPYYCGAYBBQNC-GOSISDBHSA-N 1 1 443.479 0.867 20 0 ICADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)cc1 ZINC001545113453 1072168382 /nfs/dbraw/zinc/16/83/82/1072168382.db2.gz UCPYYCGAYBBQNC-SFHVURJKSA-N 1 1 443.479 0.867 20 0 ICADMO C[C@@H]1COCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001545116064 1072169120 /nfs/dbraw/zinc/16/91/20/1072169120.db2.gz BNYBGIWVVVRTCA-FGTMMUONSA-N 1 1 441.598 0.642 20 0 ICADMO C[C@@H]1COCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001545116065 1072168994 /nfs/dbraw/zinc/16/89/94/1072168994.db2.gz BNYBGIWVVVRTCA-KURKYZTESA-N 1 1 441.598 0.642 20 0 ICADMO C[C@@H]1COCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001545116066 1072169063 /nfs/dbraw/zinc/16/90/63/1072169063.db2.gz BNYBGIWVVVRTCA-KZNAEPCWSA-N 1 1 441.598 0.642 20 0 ICADMO C[C@@H]1COCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001545116067 1072169159 /nfs/dbraw/zinc/16/91/59/1072169159.db2.gz BNYBGIWVVVRTCA-SQNIBIBYSA-N 1 1 441.598 0.642 20 0 ICADMO C[C@H]1COCC[N@H+]1CCn1c(-c2cccn2C)nnc1N1CCC(OCC(N)=O)CC1 ZINC001545123367 1072170403 /nfs/dbraw/zinc/17/04/03/1072170403.db2.gz MTSBERUZQULYKV-INIZCTEOSA-N 1 1 431.541 0.475 20 0 ICADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cccn2C)nnc1N1CCC(OCC(N)=O)CC1 ZINC001545123367 1072170400 /nfs/dbraw/zinc/17/04/00/1072170400.db2.gz MTSBERUZQULYKV-INIZCTEOSA-N 1 1 431.541 0.475 20 0 ICADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cccn2C)nnc1N1CCC(OCC(N)=O)CC1 ZINC001545123368 1072170358 /nfs/dbraw/zinc/17/03/58/1072170358.db2.gz MTSBERUZQULYKV-MRXNPFEDSA-N 1 1 431.541 0.475 20 0 ICADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cccn2C)nnc1N1CCC(OCC(N)=O)CC1 ZINC001545123368 1072170345 /nfs/dbraw/zinc/17/03/45/1072170345.db2.gz MTSBERUZQULYKV-MRXNPFEDSA-N 1 1 431.541 0.475 20 0 ICADMO C[C@H]1COCC[N@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001545123491 1072170422 /nfs/dbraw/zinc/17/04/22/1072170422.db2.gz PUPRAOAVPXYRMN-INIZCTEOSA-N 1 1 430.557 0.881 20 0 ICADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001545123491 1072170416 /nfs/dbraw/zinc/17/04/16/1072170416.db2.gz PUPRAOAVPXYRMN-INIZCTEOSA-N 1 1 430.557 0.881 20 0 ICADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001545123492 1072171096 /nfs/dbraw/zinc/17/10/96/1072171096.db2.gz PUPRAOAVPXYRMN-MRXNPFEDSA-N 1 1 430.557 0.881 20 0 ICADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001545123492 1072171091 /nfs/dbraw/zinc/17/10/91/1072171091.db2.gz PUPRAOAVPXYRMN-MRXNPFEDSA-N 1 1 430.557 0.881 20 0 ICADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001545123565 1072170946 /nfs/dbraw/zinc/17/09/46/1072170946.db2.gz QVXKQOVWNMUAHZ-KRWDZBQOSA-N 1 1 430.557 0.204 20 0 ICADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001545123565 1072170935 /nfs/dbraw/zinc/17/09/35/1072170935.db2.gz QVXKQOVWNMUAHZ-KRWDZBQOSA-N 1 1 430.557 0.204 20 0 ICADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001545123566 1072170833 /nfs/dbraw/zinc/17/08/33/1072170833.db2.gz QVXKQOVWNMUAHZ-QGZVFWFLSA-N 1 1 430.557 0.204 20 0 ICADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001545123566 1072170826 /nfs/dbraw/zinc/17/08/26/1072170826.db2.gz QVXKQOVWNMUAHZ-QGZVFWFLSA-N 1 1 430.557 0.204 20 0 ICADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001545175648 1072180174 /nfs/dbraw/zinc/18/01/74/1072180174.db2.gz SULNQBQHKABYFE-FGTMMUONSA-N 1 1 447.584 0.571 20 0 ICADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001545175649 1072180227 /nfs/dbraw/zinc/18/02/27/1072180227.db2.gz SULNQBQHKABYFE-KURKYZTESA-N 1 1 447.584 0.571 20 0 ICADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001545175650 1072180235 /nfs/dbraw/zinc/18/02/35/1072180235.db2.gz SULNQBQHKABYFE-KZNAEPCWSA-N 1 1 447.584 0.571 20 0 ICADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001545175651 1072180102 /nfs/dbraw/zinc/18/01/02/1072180102.db2.gz SULNQBQHKABYFE-SQNIBIBYSA-N 1 1 447.584 0.571 20 0 ICADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2cc[nH+]c2C)C1 ZINC001545177685 1072180880 /nfs/dbraw/zinc/18/08/80/1072180880.db2.gz LWGAMUSWSFGRFS-DLBZAZTESA-N 1 1 449.581 0.880 20 0 ICADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2cc[nH+]c2C)C1 ZINC001545177686 1072180767 /nfs/dbraw/zinc/18/07/67/1072180767.db2.gz LWGAMUSWSFGRFS-IAGOWNOFSA-N 1 1 449.581 0.880 20 0 ICADMO CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2cc[nH+]c2C)C1 ZINC001545177687 1072180905 /nfs/dbraw/zinc/18/09/05/1072180905.db2.gz LWGAMUSWSFGRFS-IRXDYDNUSA-N 1 1 449.581 0.880 20 0 ICADMO CCC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2cc[nH+]c2C)C1 ZINC001545177688 1072180850 /nfs/dbraw/zinc/18/08/50/1072180850.db2.gz LWGAMUSWSFGRFS-SJORKVTESA-N 1 1 449.581 0.880 20 0 ICADMO CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC001545186737 1072182057 /nfs/dbraw/zinc/18/20/57/1072182057.db2.gz LGXUIKAIZYFLIW-UHFFFAOYSA-N 1 1 440.566 0.538 20 0 ICADMO COc1nc(N2CCN(C(=O)C[C@@]3(O)CCC[N@@H+](C)C3)CC2)ncc1Br ZINC001545187271 1072181887 /nfs/dbraw/zinc/18/18/87/1072181887.db2.gz ZAYWRIUWCGIWAN-KRWDZBQOSA-N 1 1 428.331 0.743 20 0 ICADMO COc1nc(N2CCN(C(=O)C[C@]3(O)CCC[N@@H+](C)C3)CC2)ncc1Br ZINC001545187272 1072182002 /nfs/dbraw/zinc/18/20/02/1072182002.db2.gz ZAYWRIUWCGIWAN-QGZVFWFLSA-N 1 1 428.331 0.743 20 0 ICADMO CC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001545224329 1072184983 /nfs/dbraw/zinc/18/49/83/1072184983.db2.gz DNNAFTXUFNXCJG-MRUHUIDDSA-N 1 1 433.557 0.133 20 0 ICADMO CC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001545224330 1072184952 /nfs/dbraw/zinc/18/49/52/1072184952.db2.gz DNNAFTXUFNXCJG-QYWGDWMGSA-N 1 1 433.557 0.133 20 0 ICADMO CC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001545224331 1072184884 /nfs/dbraw/zinc/18/48/84/1072184884.db2.gz DNNAFTXUFNXCJG-XFQAVAEZSA-N 1 1 433.557 0.133 20 0 ICADMO CC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001545224332 1072184841 /nfs/dbraw/zinc/18/48/41/1072184841.db2.gz DNNAFTXUFNXCJG-ZOCZFRKYSA-N 1 1 433.557 0.133 20 0 ICADMO CC[C@H](Sc1nc(CC(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cs1)C(N)=O ZINC001545239948 1072186558 /nfs/dbraw/zinc/18/65/58/1072186558.db2.gz BQIIEPMRQPHXIU-KBPBESRZSA-N 1 1 448.636 0.619 20 0 ICADMO CC[C@H](Sc1nc(CC(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cs1)C(N)=O ZINC001545239949 1072186610 /nfs/dbraw/zinc/18/66/10/1072186610.db2.gz BQIIEPMRQPHXIU-KGLIPLIRSA-N 1 1 448.636 0.619 20 0 ICADMO CC[C@@H](Sc1nc(CC(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cs1)C(N)=O ZINC001545239950 1072186628 /nfs/dbraw/zinc/18/66/28/1072186628.db2.gz BQIIEPMRQPHXIU-UONOGXRCSA-N 1 1 448.636 0.619 20 0 ICADMO CC[C@@H](Sc1nc(CC(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cs1)C(N)=O ZINC001545239951 1072186549 /nfs/dbraw/zinc/18/65/49/1072186549.db2.gz BQIIEPMRQPHXIU-ZIAGYGMSSA-N 1 1 448.636 0.619 20 0 ICADMO C[NH+](C)CCN(C(=O)c1cc2ncc(Br)cn2n1)[C@@H]1CCS(=O)(=O)C1 ZINC001545239999 1072187255 /nfs/dbraw/zinc/18/72/55/1072187255.db2.gz DVTXVCXQMQXHGN-GFCCVEGCSA-N 1 1 430.328 0.683 20 0 ICADMO C[NH+](C)CCN(C(=O)c1cc2ncc(Br)cn2n1)[C@H]1CCS(=O)(=O)C1 ZINC001545240000 1072187164 /nfs/dbraw/zinc/18/71/64/1072187164.db2.gz DVTXVCXQMQXHGN-LBPRGKRZSA-N 1 1 430.328 0.683 20 0 ICADMO 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COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)CC1 ZINC001545344166 1072192315 /nfs/dbraw/zinc/19/23/15/1072192315.db2.gz FLTOIZLNHBBJLB-CJNGLKHVSA-N 1 1 438.912 0.410 20 0 ICADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)CC1 ZINC001545344167 1072192197 /nfs/dbraw/zinc/19/21/97/1072192197.db2.gz FLTOIZLNHBBJLB-CZUORRHYSA-N 1 1 438.912 0.410 20 0 ICADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)CC1 ZINC001545344168 1072192282 /nfs/dbraw/zinc/19/22/82/1072192282.db2.gz FLTOIZLNHBBJLB-XJKSGUPXSA-N 1 1 438.912 0.410 20 0 ICADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 ZINC001545346654 1072192174 /nfs/dbraw/zinc/19/21/74/1072192174.db2.gz SVOILJSWOMMXHM-CVEARBPZSA-N 1 1 440.541 0.550 20 0 ICADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 ZINC001545346655 1072192375 /nfs/dbraw/zinc/19/23/75/1072192375.db2.gz SVOILJSWOMMXHM-HOTGVXAUSA-N 1 1 440.541 0.550 20 0 ICADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 ZINC001545346656 1072192293 /nfs/dbraw/zinc/19/22/93/1072192293.db2.gz SVOILJSWOMMXHM-HZPDHXFCSA-N 1 1 440.541 0.550 20 0 ICADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 ZINC001545346657 1072192122 /nfs/dbraw/zinc/19/21/22/1072192122.db2.gz SVOILJSWOMMXHM-JKSUJKDBSA-N 1 1 440.541 0.550 20 0 ICADMO CC[C@H](C)c1nnc(N(CCCOC)[C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001545372031 1072192838 /nfs/dbraw/zinc/19/28/38/1072192838.db2.gz TUAKUOUBGJLWCN-ABSDTBQOSA-N 1 1 443.614 0.888 20 0 ICADMO CC[C@H](C)c1nnc(N(CCCOC)[C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001545372031 1072192833 /nfs/dbraw/zinc/19/28/33/1072192833.db2.gz TUAKUOUBGJLWCN-ABSDTBQOSA-N 1 1 443.614 0.888 20 0 ICADMO CC[C@H](C)c1nnc(N(CCCOC)[C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001545372032 1072192868 /nfs/dbraw/zinc/19/28/68/1072192868.db2.gz TUAKUOUBGJLWCN-QKLQHJQFSA-N 1 1 443.614 0.888 20 0 ICADMO CC[C@H](C)c1nnc(N(CCCOC)[C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001545372032 1072192866 /nfs/dbraw/zinc/19/28/66/1072192866.db2.gz TUAKUOUBGJLWCN-QKLQHJQFSA-N 1 1 443.614 0.888 20 0 ICADMO CC[C@H](C)c1nnc(N(CCCOC)[C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001545372033 1072192943 /nfs/dbraw/zinc/19/29/43/1072192943.db2.gz TUAKUOUBGJLWCN-SQGPQFPESA-N 1 1 443.614 0.888 20 0 ICADMO CC[C@H](C)c1nnc(N(CCCOC)[C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001545372033 1072192941 /nfs/dbraw/zinc/19/29/41/1072192941.db2.gz TUAKUOUBGJLWCN-SQGPQFPESA-N 1 1 443.614 0.888 20 0 ICADMO CC[C@H](C)c1nnc(N(CCCOC)[C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001545372034 1072192991 /nfs/dbraw/zinc/19/29/91/1072192991.db2.gz TUAKUOUBGJLWCN-ZWOKBUDYSA-N 1 1 443.614 0.888 20 0 ICADMO CC[C@H](C)c1nnc(N(CCCOC)[C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001545372034 1072192987 /nfs/dbraw/zinc/19/29/87/1072192987.db2.gz TUAKUOUBGJLWCN-ZWOKBUDYSA-N 1 1 443.614 0.888 20 0 ICADMO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001545397015 1072194103 /nfs/dbraw/zinc/19/41/03/1072194103.db2.gz BSZGCMSHFRFTCN-FGTMMUONSA-N 1 1 445.969 0.739 20 0 ICADMO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001545397016 1072194169 /nfs/dbraw/zinc/19/41/69/1072194169.db2.gz BSZGCMSHFRFTCN-KURKYZTESA-N 1 1 445.969 0.739 20 0 ICADMO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001545397017 1072194215 /nfs/dbraw/zinc/19/42/15/1072194215.db2.gz BSZGCMSHFRFTCN-KZNAEPCWSA-N 1 1 445.969 0.739 20 0 ICADMO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001545397018 1072194152 /nfs/dbraw/zinc/19/41/52/1072194152.db2.gz BSZGCMSHFRFTCN-SQNIBIBYSA-N 1 1 445.969 0.739 20 0 ICADMO NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001545397246 1072194195 /nfs/dbraw/zinc/19/41/95/1072194195.db2.gz JOZVHPKIGFMXKM-CEXWTWQISA-N 1 1 434.512 0.488 20 0 ICADMO NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001545397247 1072194125 /nfs/dbraw/zinc/19/41/25/1072194125.db2.gz JOZVHPKIGFMXKM-FHWLQOOXSA-N 1 1 434.512 0.488 20 0 ICADMO NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001545397248 1072194211 /nfs/dbraw/zinc/19/42/11/1072194211.db2.gz JOZVHPKIGFMXKM-GBESFXJTSA-N 1 1 434.512 0.488 20 0 ICADMO NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001545397249 1072194183 /nfs/dbraw/zinc/19/41/83/1072194183.db2.gz JOZVHPKIGFMXKM-QYZOEREBSA-N 1 1 434.512 0.488 20 0 ICADMO CC[C@H](C)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001545427121 1072194684 /nfs/dbraw/zinc/19/46/84/1072194684.db2.gz JRUHJNMUUIWHJQ-BBWFWOEESA-N 1 1 433.557 0.938 20 0 ICADMO CC[C@@H](C)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001545427122 1072194631 /nfs/dbraw/zinc/19/46/31/1072194631.db2.gz JRUHJNMUUIWHJQ-IKGGRYGDSA-N 1 1 433.557 0.938 20 0 ICADMO CC[C@H](C)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001545427123 1072194781 /nfs/dbraw/zinc/19/47/81/1072194781.db2.gz JRUHJNMUUIWHJQ-ULQDDVLXSA-N 1 1 433.557 0.938 20 0 ICADMO CC[C@@H](C)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001545427124 1072194745 /nfs/dbraw/zinc/19/47/45/1072194745.db2.gz JRUHJNMUUIWHJQ-ZACQAIPSSA-N 1 1 433.557 0.938 20 0 ICADMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(S(=O)(=O)NCC(N)=O)ccc3Cl)CC[C@H]21 ZINC001545434831 1072194664 /nfs/dbraw/zinc/19/46/64/1072194664.db2.gz PLLXPDPVNXODCT-BLLLJJGKSA-N 1 1 428.942 0.660 20 0 ICADMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(S(=O)(=O)NCC(N)=O)ccc3Cl)CC[C@@H]21 ZINC001545434832 1072195385 /nfs/dbraw/zinc/19/53/85/1072195385.db2.gz PLLXPDPVNXODCT-LRDDRELGSA-N 1 1 428.942 0.660 20 0 ICADMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)NCC(N)=O)ccc3Cl)CC[C@H]21 ZINC001545434833 1072195510 /nfs/dbraw/zinc/19/55/10/1072195510.db2.gz PLLXPDPVNXODCT-MLGOLLRUSA-N 1 1 428.942 0.660 20 0 ICADMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)NCC(N)=O)ccc3Cl)CC[C@@H]21 ZINC001545434834 1072195611 /nfs/dbraw/zinc/19/56/11/1072195611.db2.gz PLLXPDPVNXODCT-WBMJQRKESA-N 1 1 428.942 0.660 20 0 ICADMO C[N@H+]1CCC[C@@H]2CN(C(=O)CNS(=O)(=O)c3cccc(S(C)(=O)=O)c3)CC[C@@H]21 ZINC001545434911 1072195485 /nfs/dbraw/zinc/19/54/85/1072195485.db2.gz ROFICODJLMQNLS-PBHICJAKSA-N 1 1 429.564 0.311 20 0 ICADMO C[N@H+]1CCC[C@@H]2CN(C(=O)CNS(=O)(=O)c3cccc(S(C)(=O)=O)c3)CC[C@H]21 ZINC001545434912 1072195585 /nfs/dbraw/zinc/19/55/85/1072195585.db2.gz ROFICODJLMQNLS-RHSMWYFYSA-N 1 1 429.564 0.311 20 0 ICADMO C[N@H+]1CCC[C@H]2CN(C(=O)CNS(=O)(=O)c3cccc(S(C)(=O)=O)c3)CC[C@H]21 ZINC001545434913 1072195315 /nfs/dbraw/zinc/19/53/15/1072195315.db2.gz ROFICODJLMQNLS-WMLDXEAASA-N 1 1 429.564 0.311 20 0 ICADMO C[N@H+]1CCC[C@H]2CN(C(=O)CNS(=O)(=O)c3cccc(S(C)(=O)=O)c3)CC[C@@H]21 ZINC001545434914 1072195324 /nfs/dbraw/zinc/19/53/24/1072195324.db2.gz ROFICODJLMQNLS-YOEHRIQHSA-N 1 1 429.564 0.311 20 0 ICADMO CC[C@H](C)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1CCNS(C)(=O)=O ZINC001545437726 1072195438 /nfs/dbraw/zinc/19/54/38/1072195438.db2.gz DZSJAYQBSYEIAJ-DLBZAZTESA-N 1 1 427.619 0.557 20 0 ICADMO CC[C@@H](C)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1CCNS(C)(=O)=O ZINC001545437727 1072195281 /nfs/dbraw/zinc/19/52/81/1072195281.db2.gz DZSJAYQBSYEIAJ-IAGOWNOFSA-N 1 1 427.619 0.557 20 0 ICADMO CC[C@H](C)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1CCNS(C)(=O)=O ZINC001545437728 1072195531 /nfs/dbraw/zinc/19/55/31/1072195531.db2.gz DZSJAYQBSYEIAJ-IRXDYDNUSA-N 1 1 427.619 0.557 20 0 ICADMO CC[C@@H](C)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1CCNS(C)(=O)=O ZINC001545437729 1072195351 /nfs/dbraw/zinc/19/53/51/1072195351.db2.gz DZSJAYQBSYEIAJ-SJORKVTESA-N 1 1 427.619 0.557 20 0 ICADMO CC[C@@H](C)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1CCCNS(C)(=O)=O ZINC001545438486 1072195562 /nfs/dbraw/zinc/19/55/62/1072195562.db2.gz RZTYHEGKVBTXKX-MSOLQXFVSA-N 1 1 441.646 0.947 20 0 ICADMO CC[C@@H](C)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1CCCNS(C)(=O)=O ZINC001545438487 1072195304 /nfs/dbraw/zinc/19/53/04/1072195304.db2.gz RZTYHEGKVBTXKX-QZTJIDSGSA-N 1 1 441.646 0.947 20 0 ICADMO CC[C@H](C)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1CCCNS(C)(=O)=O ZINC001545438488 1072195412 /nfs/dbraw/zinc/19/54/12/1072195412.db2.gz RZTYHEGKVBTXKX-ROUUACIJSA-N 1 1 441.646 0.947 20 0 ICADMO CC[C@H](C)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1CCCNS(C)(=O)=O ZINC001545438489 1072195296 /nfs/dbraw/zinc/19/52/96/1072195296.db2.gz RZTYHEGKVBTXKX-ZWKOTPCHSA-N 1 1 441.646 0.947 20 0 ICADMO CC[C@H](C)c1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001545484544 1072197244 /nfs/dbraw/zinc/19/72/44/1072197244.db2.gz SUCVGWHHJRUGFQ-AUSJPIAWSA-N 1 1 431.545 0.390 20 0 ICADMO CC[C@H](C)c1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001545484545 1072197141 /nfs/dbraw/zinc/19/71/41/1072197141.db2.gz SUCVGWHHJRUGFQ-AVYPCKFXSA-N 1 1 431.545 0.390 20 0 ICADMO CC[C@H](C)c1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001545484546 1072197124 /nfs/dbraw/zinc/19/71/24/1072197124.db2.gz SUCVGWHHJRUGFQ-BXTJHSDWSA-N 1 1 431.545 0.390 20 0 ICADMO CC[C@H](C)c1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001545484547 1072197193 /nfs/dbraw/zinc/19/71/93/1072197193.db2.gz SUCVGWHHJRUGFQ-MDOVXXIYSA-N 1 1 431.545 0.390 20 0 ICADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCS(=O)(=O)NC ZINC001545508186 1072198301 /nfs/dbraw/zinc/19/83/01/1072198301.db2.gz WPYIOEQCGQAMRY-INIZCTEOSA-N 1 1 438.602 0.787 20 0 ICADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCS(=O)(=O)NC ZINC001545508187 1072198416 /nfs/dbraw/zinc/19/84/16/1072198416.db2.gz WPYIOEQCGQAMRY-MRXNPFEDSA-N 1 1 438.602 0.787 20 0 ICADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCCn1cnnn1 ZINC001545518370 1072200846 /nfs/dbraw/zinc/20/08/46/1072200846.db2.gz HIWUTCKARQBQCV-DLBZAZTESA-N 1 1 430.561 0.611 20 0 ICADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCCn1cnnn1 ZINC001545518371 1072200748 /nfs/dbraw/zinc/20/07/48/1072200748.db2.gz HIWUTCKARQBQCV-IAGOWNOFSA-N 1 1 430.561 0.611 20 0 ICADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCCn1cnnn1 ZINC001545518372 1072200788 /nfs/dbraw/zinc/20/07/88/1072200788.db2.gz HIWUTCKARQBQCV-IRXDYDNUSA-N 1 1 430.561 0.611 20 0 ICADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCCn1cnnn1 ZINC001545518373 1072200949 /nfs/dbraw/zinc/20/09/49/1072200949.db2.gz HIWUTCKARQBQCV-SJORKVTESA-N 1 1 430.561 0.611 20 0 ICADMO CC[C@H](C)c1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1CCC[N@@H+](C)C(C)C ZINC001545518476 1072200871 /nfs/dbraw/zinc/20/08/71/1072200871.db2.gz IXGBDDWAMOCQBU-KRWDZBQOSA-N 1 1 432.577 0.857 20 0 ICADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1CCC[N@@H+](C)C(C)C ZINC001545518477 1072200687 /nfs/dbraw/zinc/20/06/87/1072200687.db2.gz IXGBDDWAMOCQBU-QGZVFWFLSA-N 1 1 432.577 0.857 20 0 ICADMO CC[C@H](C)c1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1CC[N@@H+](CC)C(C)C ZINC001545519378 1072201253 /nfs/dbraw/zinc/20/12/53/1072201253.db2.gz ZKHAMSVILLCVIY-KRWDZBQOSA-N 1 1 432.577 0.857 20 0 ICADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1CC[N@@H+](CC)C(C)C ZINC001545519379 1072201385 /nfs/dbraw/zinc/20/13/85/1072201385.db2.gz ZKHAMSVILLCVIY-QGZVFWFLSA-N 1 1 432.577 0.857 20 0 ICADMO CC[C@H](C)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001545528762 1072201974 /nfs/dbraw/zinc/20/19/74/1072201974.db2.gz XOCSVSPQICVYGJ-GSHUGGBRSA-N 1 1 433.601 0.647 20 0 ICADMO CC[C@H](C)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001545528763 1072201874 /nfs/dbraw/zinc/20/18/74/1072201874.db2.gz XOCSVSPQICVYGJ-HOIFWPIMSA-N 1 1 433.601 0.647 20 0 ICADMO CC[C@H](C)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001545528764 1072201823 /nfs/dbraw/zinc/20/18/23/1072201823.db2.gz XOCSVSPQICVYGJ-JKSBSHDWSA-N 1 1 433.601 0.647 20 0 ICADMO CC[C@H](C)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001545528765 1072202440 /nfs/dbraw/zinc/20/24/40/1072202440.db2.gz XOCSVSPQICVYGJ-PNLZDCPESA-N 1 1 433.601 0.647 20 0 ICADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001545551234 1072203448 /nfs/dbraw/zinc/20/34/48/1072203448.db2.gz UDJRJLXCVZQWJT-AVRDEDQJSA-N 1 1 433.601 0.603 20 0 ICADMO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001545551235 1072203330 /nfs/dbraw/zinc/20/33/30/1072203330.db2.gz UDJRJLXCVZQWJT-GCJKJVERSA-N 1 1 433.601 0.603 20 0 ICADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001545551236 1072203377 /nfs/dbraw/zinc/20/33/77/1072203377.db2.gz UDJRJLXCVZQWJT-PGRDOPGGSA-N 1 1 433.601 0.603 20 0 ICADMO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001545551237 1072203468 /nfs/dbraw/zinc/20/34/68/1072203468.db2.gz UDJRJLXCVZQWJT-XMSQKQJNSA-N 1 1 433.601 0.603 20 0 ICADMO 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CCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1Cc1cnnn1C ZINC001546469530 1071401189 /nfs/dbraw/zinc/40/11/89/1071401189.db2.gz JJNNBDZOJIUITA-UHFFFAOYSA-N 1 1 429.573 0.788 20 0 ICADMO CCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1CCn1cncn1 ZINC001546469651 1071401301 /nfs/dbraw/zinc/40/13/01/1071401301.db2.gz NLJAXLRQXHGOOU-UHFFFAOYSA-N 1 1 429.573 0.903 20 0 ICADMO CCc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001546473929 1071414549 /nfs/dbraw/zinc/41/45/49/1071414549.db2.gz OSCAVTCZELSJFA-GOSISDBHSA-N 1 1 448.593 0.889 20 0 ICADMO CCc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001546473930 1071414524 /nfs/dbraw/zinc/41/45/24/1071414524.db2.gz OSCAVTCZELSJFA-SFHVURJKSA-N 1 1 448.593 0.889 20 0 ICADMO CCc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001546474816 1071422169 /nfs/dbraw/zinc/42/21/69/1071422169.db2.gz RRFQWBDESJFDRL-KRWDZBQOSA-N 1 1 428.603 0.453 20 0 ICADMO CCc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001546474817 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CCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CC(=O)NCC(F)(F)F ZINC001546522506 1072211957 /nfs/dbraw/zinc/21/19/57/1072211957.db2.gz ZILQUKKRTSBCMA-CYBMUJFWSA-N 1 1 431.463 0.262 20 0 ICADMO CCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CC(=O)NCC(F)(F)F ZINC001546522507 1072212090 /nfs/dbraw/zinc/21/20/90/1072212090.db2.gz ZILQUKKRTSBCMA-ZDUSSCGKSA-N 1 1 431.463 0.262 20 0 ICADMO CCc1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001546522999 1072212552 /nfs/dbraw/zinc/21/25/52/1072212552.db2.gz UCHCBOUEBQNBOL-JOCHJYFZSA-N 1 1 446.527 0.774 20 0 ICADMO CCc1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001546523000 1072212579 /nfs/dbraw/zinc/21/25/79/1072212579.db2.gz UCHCBOUEBQNBOL-QFIPXVFZSA-N 1 1 446.527 0.774 20 0 ICADMO CCc1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001546523104 1072212560 /nfs/dbraw/zinc/21/25/60/1072212560.db2.gz XUTZRHCJQAOCDI-GOSISDBHSA-N 1 1 444.588 0.688 20 0 ICADMO CCc1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001546523105 1072212628 /nfs/dbraw/zinc/21/26/28/1072212628.db2.gz XUTZRHCJQAOCDI-SFHVURJKSA-N 1 1 444.588 0.688 20 0 ICADMO CCc1nnc(N2CCN(C(=O)NC)CC2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001546523276 1072213179 /nfs/dbraw/zinc/21/31/79/1072213179.db2.gz GJBWCVCEWJXVRW-IBGZPJMESA-N 1 1 427.553 0.917 20 0 ICADMO CCc1nnc(N2CCN(C(=O)NC)CC2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001546523277 1072213053 /nfs/dbraw/zinc/21/30/53/1072213053.db2.gz GJBWCVCEWJXVRW-LJQANCHMSA-N 1 1 427.553 0.917 20 0 ICADMO CCc1nnc(N2CCN(c3nc(C)cc(OC)n3)CC2)n1CCC[NH+]1CCOCC1 ZINC001546531616 1072214345 /nfs/dbraw/zinc/21/43/45/1072214345.db2.gz FOXWMDKSPSEGFB-UHFFFAOYSA-N 1 1 430.557 0.996 20 0 ICADMO CCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001546534695 1072214770 /nfs/dbraw/zinc/21/47/70/1072214770.db2.gz KZABCDCDXDFXFY-SJLPKXTDSA-N 1 1 440.614 0.954 20 0 ICADMO CCc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001546534768 1072214788 /nfs/dbraw/zinc/21/47/88/1072214788.db2.gz NNGKTMQLHSHZID-FQEVSTJZSA-N 1 1 446.644 0.611 20 0 ICADMO CCc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001546534769 1072215411 /nfs/dbraw/zinc/21/54/11/1072215411.db2.gz NNGKTMQLHSHZID-HXUWFJFHSA-N 1 1 446.644 0.611 20 0 ICADMO CCc1nnc(N2CCN(CC(=O)NCCOC)CC2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001546536326 1072215219 /nfs/dbraw/zinc/21/52/19/1072215219.db2.gz KYIRIRCOFWUBSQ-KRWDZBQOSA-N 1 1 430.557 0.184 20 0 ICADMO CCc1nnc(N2CCN(CC(=O)NCCOC)CC2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001546536327 1072215386 /nfs/dbraw/zinc/21/53/86/1072215386.db2.gz KYIRIRCOFWUBSQ-QGZVFWFLSA-N 1 1 430.557 0.184 20 0 ICADMO CCc1nnc(N2CCN(CC(=O)NCCOC)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001546536600 1072215830 /nfs/dbraw/zinc/21/58/30/1072215830.db2.gz SGLBKRZEWDLKEQ-UHFFFAOYSA-N 1 1 435.617 0.847 20 0 ICADMO CCc1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CCn1cncn1 ZINC001546537669 1072215779 /nfs/dbraw/zinc/21/57/79/1072215779.db2.gz AMKKDNGIMUVQKA-GOSISDBHSA-N 1 1 426.525 0.694 20 0 ICADMO CCc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CCn1cncn1 ZINC001546537670 1072215803 /nfs/dbraw/zinc/21/58/03/1072215803.db2.gz AMKKDNGIMUVQKA-SFHVURJKSA-N 1 1 426.525 0.694 20 0 ICADMO CCc1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CCC(=O)N(C)C ZINC001546538220 1072215857 /nfs/dbraw/zinc/21/58/57/1072215857.db2.gz PNQKFAVMYDQVAG-GOSISDBHSA-N 1 1 430.553 0.881 20 0 ICADMO CCc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CCC(=O)N(C)C ZINC001546538221 1072215762 /nfs/dbraw/zinc/21/57/62/1072215762.db2.gz PNQKFAVMYDQVAG-SFHVURJKSA-N 1 1 430.553 0.881 20 0 ICADMO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@@]1(O)CCO[C@H]1C ZINC001546539971 1072216554 /nfs/dbraw/zinc/21/65/54/1072216554.db2.gz AWGPGGNTSXZGDL-JQVVWYNYSA-N 1 1 436.601 0.612 20 0 ICADMO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@@]1(O)CCO[C@@H]1C ZINC001546539972 1072216626 /nfs/dbraw/zinc/21/66/26/1072216626.db2.gz AWGPGGNTSXZGDL-KNKQGSTJSA-N 1 1 436.601 0.612 20 0 ICADMO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@]1(O)CCO[C@H]1C ZINC001546539973 1072216442 /nfs/dbraw/zinc/21/64/42/1072216442.db2.gz AWGPGGNTSXZGDL-NNMXDRDESA-N 1 1 436.601 0.612 20 0 ICADMO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@]1(O)CCO[C@@H]1C ZINC001546539974 1072216477 /nfs/dbraw/zinc/21/64/77/1072216477.db2.gz AWGPGGNTSXZGDL-WOIUINJBSA-N 1 1 436.601 0.612 20 0 ICADMO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CC1([S@](C)=O)CC1 ZINC001546540171 1072216396 /nfs/dbraw/zinc/21/63/96/1072216396.db2.gz HEBGHIJJXJFLHS-JJCDCTGGSA-N 1 1 438.642 0.983 20 0 ICADMO CCc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CC1([S@](C)=O)CC1 ZINC001546540172 1072216509 /nfs/dbraw/zinc/21/65/09/1072216509.db2.gz HEBGHIJJXJFLHS-PBYQXAPXSA-N 1 1 438.642 0.983 20 0 ICADMO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CC1([S@@](C)=O)CC1 ZINC001546540173 1072217039 /nfs/dbraw/zinc/21/70/39/1072217039.db2.gz HEBGHIJJXJFLHS-VPTFNQTCSA-N 1 1 438.642 0.983 20 0 ICADMO CCc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CC1([S@@](C)=O)CC1 ZINC001546540174 1072216970 /nfs/dbraw/zinc/21/69/70/1072216970.db2.gz HEBGHIJJXJFLHS-YVGXBJCXSA-N 1 1 438.642 0.983 20 0 ICADMO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@](C)(O)CCOC ZINC001546540309 1072217167 /nfs/dbraw/zinc/21/71/67/1072217167.db2.gz KREJGRBWOLZMRJ-DENIHFKCSA-N 1 1 438.617 0.859 20 0 ICADMO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@@](C)(O)CCOC ZINC001546540310 1072217114 /nfs/dbraw/zinc/21/71/14/1072217114.db2.gz KREJGRBWOLZMRJ-KNQAVFIVSA-N 1 1 438.617 0.859 20 0 ICADMO CCc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@](C)(O)CCOC ZINC001546540311 1072217279 /nfs/dbraw/zinc/21/72/79/1072217279.db2.gz KREJGRBWOLZMRJ-SIKLNZKXSA-N 1 1 438.617 0.859 20 0 ICADMO CCc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@@](C)(O)CCOC ZINC001546540312 1072217201 /nfs/dbraw/zinc/21/72/01/1072217201.db2.gz KREJGRBWOLZMRJ-UGKGYDQZSA-N 1 1 438.617 0.859 20 0 ICADMO CCc1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCCN(C)S(=O)(=O)CC ZINC001546540692 1072217078 /nfs/dbraw/zinc/21/70/78/1072217078.db2.gz WDLDPWQNOWSHMN-KRWDZBQOSA-N 1 1 428.603 0.813 20 0 ICADMO CCc1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCCN(C)S(=O)(=O)CC ZINC001546540693 1072217322 /nfs/dbraw/zinc/21/73/22/1072217322.db2.gz WDLDPWQNOWSHMN-QGZVFWFLSA-N 1 1 428.603 0.813 20 0 ICADMO CCc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCNC(=O)c1ccn[nH]1 ZINC001546541222 1072217060 /nfs/dbraw/zinc/21/70/60/1072217060.db2.gz MLZZCGYURAAZDP-HDICACEKSA-N 1 1 443.600 0.988 20 0 ICADMO CCc1nnc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001546541804 1072217144 /nfs/dbraw/zinc/21/71/44/1072217144.db2.gz FFBUNVRUJWVUTP-DLBZAZTESA-N 1 1 428.603 0.812 20 0 ICADMO CCc1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001546541805 1072217256 /nfs/dbraw/zinc/21/72/56/1072217256.db2.gz FFBUNVRUJWVUTP-IAGOWNOFSA-N 1 1 428.603 0.812 20 0 ICADMO CCc1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001546541819 1072217011 /nfs/dbraw/zinc/21/70/11/1072217011.db2.gz FPCYQUQBEAEODQ-DLBZAZTESA-N 1 1 428.603 0.669 20 0 ICADMO CCc1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001546541820 1072217234 /nfs/dbraw/zinc/21/72/34/1072217234.db2.gz FPCYQUQBEAEODQ-IAGOWNOFSA-N 1 1 428.603 0.669 20 0 ICADMO CCc1nnc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001546541821 1072216999 /nfs/dbraw/zinc/21/69/99/1072216999.db2.gz FPCYQUQBEAEODQ-IRXDYDNUSA-N 1 1 428.603 0.669 20 0 ICADMO CCc1nnc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001546541822 1072217087 /nfs/dbraw/zinc/21/70/87/1072217087.db2.gz FPCYQUQBEAEODQ-SJORKVTESA-N 1 1 428.603 0.669 20 0 ICADMO CCc1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1CCC[N@@H+](C)C(C)C ZINC001546542668 1072217605 /nfs/dbraw/zinc/21/76/05/1072217605.db2.gz KAQNBQRNDSIBHQ-UHFFFAOYSA-N 1 1 433.561 0.037 20 0 ICADMO CCc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001546542736 1072217762 /nfs/dbraw/zinc/21/77/62/1072217762.db2.gz LNZRILDKUNSEAQ-KRWDZBQOSA-N 1 1 441.646 0.584 20 0 ICADMO CCc1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1CC[N@H+](C)[C@@H](C)CC ZINC001546542847 1072217711 /nfs/dbraw/zinc/21/77/11/1072217711.db2.gz NUMHCLZISMWEBN-HNNXBMFYSA-N 1 1 433.561 0.037 20 0 ICADMO CCc1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1CC[N@H+](C)[C@H](C)CC ZINC001546542848 1072217662 /nfs/dbraw/zinc/21/76/62/1072217662.db2.gz NUMHCLZISMWEBN-OAHLLOKOSA-N 1 1 433.561 0.037 20 0 ICADMO CCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001546542896 1072217741 /nfs/dbraw/zinc/21/77/41/1072217741.db2.gz PVIGRSCJKZMSJG-UHFFFAOYSA-N 1 1 448.593 0.803 20 0 ICADMO CCc1nnc(N2CCN(S(=O)(=O)CCOC(C)C)CC2)n1CCn1cc[nH+]c1C ZINC001546543150 1072218193 /nfs/dbraw/zinc/21/81/93/1072218193.db2.gz YVEIGCZLOVYVEE-UHFFFAOYSA-N 1 1 439.586 0.922 20 0 ICADMO CCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001546545235 1072218766 /nfs/dbraw/zinc/21/87/66/1072218766.db2.gz YEGGTELMHAAIGL-GOSISDBHSA-N 1 1 425.537 0.488 20 0 ICADMO CCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001546545236 1072218708 /nfs/dbraw/zinc/21/87/08/1072218708.db2.gz YEGGTELMHAAIGL-SFHVURJKSA-N 1 1 425.537 0.488 20 0 ICADMO CCc1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001546560032 1072219764 /nfs/dbraw/zinc/21/97/64/1072219764.db2.gz LJDKBRWLNSRDNF-KSZLIROESA-N 1 1 431.585 0.840 20 0 ICADMO CCc1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001546560033 1072219595 /nfs/dbraw/zinc/21/95/95/1072219595.db2.gz LJDKBRWLNSRDNF-RCCFBDPRSA-N 1 1 431.585 0.840 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)NC(C)C)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001546572878 1072221222 /nfs/dbraw/zinc/22/12/22/1072221222.db2.gz LYYHCYHMEPABLZ-GOSISDBHSA-N 1 1 448.616 0.405 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(C(=O)NC(C)C)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001546572879 1072221277 /nfs/dbraw/zinc/22/12/77/1072221277.db2.gz LYYHCYHMEPABLZ-SFHVURJKSA-N 1 1 448.616 0.405 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)NC(C)C)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001546573194 1072221268 /nfs/dbraw/zinc/22/12/68/1072221268.db2.gz VCSDQJPSVPZNCV-DLBZAZTESA-N 1 1 435.573 0.368 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)NC(C)C)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001546573195 1072221208 /nfs/dbraw/zinc/22/12/08/1072221208.db2.gz VCSDQJPSVPZNCV-IAGOWNOFSA-N 1 1 435.573 0.368 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(C(=O)NC(C)C)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001546573196 1072221150 /nfs/dbraw/zinc/22/11/50/1072221150.db2.gz VCSDQJPSVPZNCV-IRXDYDNUSA-N 1 1 435.573 0.368 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(C(=O)NC(C)C)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001546573197 1072221249 /nfs/dbraw/zinc/22/12/49/1072221249.db2.gz VCSDQJPSVPZNCV-SJORKVTESA-N 1 1 435.573 0.368 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+](CC)C1CC1 ZINC001546574116 1072222223 /nfs/dbraw/zinc/22/22/23/1072222223.db2.gz KGBVZPDPYYZWCH-DZGCQCFKSA-N 1 1 427.575 0.087 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@@H+](CC)C1CC1 ZINC001546574117 1072222104 /nfs/dbraw/zinc/22/21/04/1072222104.db2.gz KGBVZPDPYYZWCH-HIFRSBDPSA-N 1 1 427.575 0.087 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@@H+](CC)C1CC1 ZINC001546574118 1072222286 /nfs/dbraw/zinc/22/22/86/1072222286.db2.gz KGBVZPDPYYZWCH-UKRRQHHQSA-N 1 1 427.575 0.087 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+](CC)C1CC1 ZINC001546574119 1072222137 /nfs/dbraw/zinc/22/21/37/1072222137.db2.gz KGBVZPDPYYZWCH-ZFWWWQNUSA-N 1 1 427.575 0.087 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C)n2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001546580450 1072225271 /nfs/dbraw/zinc/22/52/71/1072225271.db2.gz KPUGPOIIPYKHKD-IBGZPJMESA-N 1 1 440.552 0.527 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C)n2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001546580458 1072225040 /nfs/dbraw/zinc/22/50/40/1072225040.db2.gz KPUGPOIIPYKHKD-LJQANCHMSA-N 1 1 440.552 0.527 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2cnccn2)n1CCCCN1CC[NH+](CC)CC1 ZINC001546580475 1072225225 /nfs/dbraw/zinc/22/52/25/1072225225.db2.gz KWCSPWMSEBHCKB-IBGZPJMESA-N 1 1 441.584 0.868 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cnccn2)n1CCCCN1CC[NH+](CC)CC1 ZINC001546580478 1072225150 /nfs/dbraw/zinc/22/51/50/1072225150.db2.gz KWCSPWMSEBHCKB-LJQANCHMSA-N 1 1 441.584 0.868 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2cnn(C)c2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001546580814 1072225321 /nfs/dbraw/zinc/22/53/21/1072225321.db2.gz OYOSBFHEUPJJRY-MSOLQXFVSA-N 1 1 430.557 0.630 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cnn(C)c2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001546580815 1072225081 /nfs/dbraw/zinc/22/50/81/1072225081.db2.gz OYOSBFHEUPJJRY-QZTJIDSGSA-N 1 1 430.557 0.630 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2cnn(C)c2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001546580816 1072225926 /nfs/dbraw/zinc/22/59/26/1072225926.db2.gz OYOSBFHEUPJJRY-ROUUACIJSA-N 1 1 430.557 0.630 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cnn(C)c2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001546580817 1072225781 /nfs/dbraw/zinc/22/57/81/1072225781.db2.gz OYOSBFHEUPJJRY-ZWKOTPCHSA-N 1 1 430.557 0.630 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cnccn2)n1CCCN1CC[NH+](CC)CC1 ZINC001546581010 1072225634 /nfs/dbraw/zinc/22/56/34/1072225634.db2.gz TYELXPTVMYGXLE-GOSISDBHSA-N 1 1 427.557 0.478 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2cnccn2)n1CCCN1CC[NH+](CC)CC1 ZINC001546581011 1072225793 /nfs/dbraw/zinc/22/57/93/1072225793.db2.gz TYELXPTVMYGXLE-SFHVURJKSA-N 1 1 427.557 0.478 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCCN1CC[NH+](CC)CC1 ZINC001546581872 1072225899 /nfs/dbraw/zinc/22/58/99/1072225899.db2.gz JTXYRHFZQVFBNJ-MSOLQXFVSA-N 1 1 446.600 0.362 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCCN1CC[NH+](CC)CC1 ZINC001546581873 1072225762 /nfs/dbraw/zinc/22/57/62/1072225762.db2.gz JTXYRHFZQVFBNJ-QZTJIDSGSA-N 1 1 446.600 0.362 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCCN1CC[NH+](CC)CC1 ZINC001546581874 1072225712 /nfs/dbraw/zinc/22/57/12/1072225712.db2.gz JTXYRHFZQVFBNJ-ROUUACIJSA-N 1 1 446.600 0.362 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCCN1CC[NH+](CC)CC1 ZINC001546581875 1072226031 /nfs/dbraw/zinc/22/60/31/1072226031.db2.gz JTXYRHFZQVFBNJ-ZWKOTPCHSA-N 1 1 446.600 0.362 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CCCOC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001546582076 1072226005 /nfs/dbraw/zinc/22/60/05/1072226005.db2.gz NOZVLMHUQKIOQJ-MSOLQXFVSA-N 1 1 433.601 0.913 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CCCOC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001546582076 1072225995 /nfs/dbraw/zinc/22/59/95/1072225995.db2.gz NOZVLMHUQKIOQJ-MSOLQXFVSA-N 1 1 433.601 0.913 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CCCOC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001546582076 1072225982 /nfs/dbraw/zinc/22/59/82/1072225982.db2.gz NOZVLMHUQKIOQJ-MSOLQXFVSA-N 1 1 433.601 0.913 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCCOC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001546582077 1072225692 /nfs/dbraw/zinc/22/56/92/1072225692.db2.gz NOZVLMHUQKIOQJ-QZTJIDSGSA-N 1 1 433.601 0.913 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCCOC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001546582077 1072225685 /nfs/dbraw/zinc/22/56/85/1072225685.db2.gz NOZVLMHUQKIOQJ-QZTJIDSGSA-N 1 1 433.601 0.913 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCCOC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001546582077 1072225682 /nfs/dbraw/zinc/22/56/82/1072225682.db2.gz NOZVLMHUQKIOQJ-QZTJIDSGSA-N 1 1 433.601 0.913 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc([C@H]2CCCOC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001546582078 1072225839 /nfs/dbraw/zinc/22/58/39/1072225839.db2.gz NOZVLMHUQKIOQJ-ROUUACIJSA-N 1 1 433.601 0.913 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc([C@H]2CCCOC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001546582078 1072225826 /nfs/dbraw/zinc/22/58/26/1072225826.db2.gz NOZVLMHUQKIOQJ-ROUUACIJSA-N 1 1 433.601 0.913 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc([C@H]2CCCOC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001546582078 1072225818 /nfs/dbraw/zinc/22/58/18/1072225818.db2.gz NOZVLMHUQKIOQJ-ROUUACIJSA-N 1 1 433.601 0.913 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCCOC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001546582079 1072225654 /nfs/dbraw/zinc/22/56/54/1072225654.db2.gz NOZVLMHUQKIOQJ-ZWKOTPCHSA-N 1 1 433.601 0.913 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCCOC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001546582079 1072225649 /nfs/dbraw/zinc/22/56/49/1072225649.db2.gz NOZVLMHUQKIOQJ-ZWKOTPCHSA-N 1 1 433.601 0.913 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCCOC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001546582079 1072225645 /nfs/dbraw/zinc/22/56/45/1072225645.db2.gz NOZVLMHUQKIOQJ-ZWKOTPCHSA-N 1 1 433.601 0.913 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001546582782 1072226261 /nfs/dbraw/zinc/22/62/61/1072226261.db2.gz FXTXKWHNZHAGRE-DOTOQJQBSA-N 1 1 438.598 0.769 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001546582785 1072226318 /nfs/dbraw/zinc/22/63/18/1072226318.db2.gz FXTXKWHNZHAGRE-NVXWUHKLSA-N 1 1 438.598 0.769 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001546582787 1072226516 /nfs/dbraw/zinc/22/65/16/1072226516.db2.gz FXTXKWHNZHAGRE-RDJZCZTQSA-N 1 1 438.598 0.769 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001546582789 1072226462 /nfs/dbraw/zinc/22/64/62/1072226462.db2.gz FXTXKWHNZHAGRE-WBVHZDCISA-N 1 1 438.598 0.769 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCC(=O)N2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001546583203 1072226380 /nfs/dbraw/zinc/22/63/80/1072226380.db2.gz VKCZCKPQJCEJFM-BRWVUGGUSA-N 1 1 433.557 0.445 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCC(=O)N2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001546583206 1072226492 /nfs/dbraw/zinc/22/64/92/1072226492.db2.gz VKCZCKPQJCEJFM-GVDBMIGSSA-N 1 1 433.557 0.445 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001546583207 1072226301 /nfs/dbraw/zinc/22/63/01/1072226301.db2.gz VKCZCKPQJCEJFM-IXDOHACOSA-N 1 1 433.557 0.445 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001546583209 1072226398 /nfs/dbraw/zinc/22/63/98/1072226398.db2.gz VKCZCKPQJCEJFM-YESZJQIVSA-N 1 1 433.557 0.445 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(CN2CCCC2=O)n1CC(C)(C)[NH+]1CCOCC1 ZINC001546585210 1072227949 /nfs/dbraw/zinc/22/79/49/1072227949.db2.gz BJBJGBJIHBWZMQ-INIZCTEOSA-N 1 1 433.557 0.226 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(CN2CCCC2=O)n1CC(C)(C)[NH+]1CCOCC1 ZINC001546585211 1072227808 /nfs/dbraw/zinc/22/78/08/1072227808.db2.gz BJBJGBJIHBWZMQ-MRXNPFEDSA-N 1 1 433.557 0.226 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(Cn2nc(C)cc2C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001546586330 1072227832 /nfs/dbraw/zinc/22/78/32/1072227832.db2.gz OKQPGBUUOZXRCQ-GOSISDBHSA-N 1 1 444.584 0.965 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(Cn2nc(C)cc2C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001546586330 1072227824 /nfs/dbraw/zinc/22/78/24/1072227824.db2.gz OKQPGBUUOZXRCQ-GOSISDBHSA-N 1 1 444.584 0.965 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(Cn2nc(C)cc2C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001546586331 1072227933 /nfs/dbraw/zinc/22/79/33/1072227933.db2.gz OKQPGBUUOZXRCQ-SFHVURJKSA-N 1 1 444.584 0.965 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(Cn2nc(C)cc2C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001546586331 1072227928 /nfs/dbraw/zinc/22/79/28/1072227928.db2.gz OKQPGBUUOZXRCQ-SFHVURJKSA-N 1 1 444.584 0.965 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCC[NH+]1CCOCC1 ZINC001546587515 1072228323 /nfs/dbraw/zinc/22/83/23/1072228323.db2.gz DLMNWBLTGCEAEE-BZSNNMDCSA-N 1 1 436.557 0.439 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCC[NH+]1CCOCC1 ZINC001546587520 1072228335 /nfs/dbraw/zinc/22/83/35/1072228335.db2.gz DLMNWBLTGCEAEE-KSZLIROESA-N 1 1 436.557 0.439 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001546588269 1072228827 /nfs/dbraw/zinc/22/88/27/1072228827.db2.gz QQHMSIHGNARSBZ-DYESRHJHSA-N 1 1 432.500 0.778 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001546588272 1072228792 /nfs/dbraw/zinc/22/87/92/1072228792.db2.gz QQHMSIHGNARSBZ-LAUBAEHRSA-N 1 1 432.500 0.778 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001546588274 1072228839 /nfs/dbraw/zinc/22/88/39/1072228839.db2.gz QQHMSIHGNARSBZ-UTKZUKDTSA-N 1 1 432.500 0.778 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001546588276 1072228768 /nfs/dbraw/zinc/22/87/68/1072228768.db2.gz QQHMSIHGNARSBZ-UWJYYQICSA-N 1 1 432.500 0.778 20 0 ICADMO 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ZINC001546647833 1072229877 /nfs/dbraw/zinc/22/98/77/1072229877.db2.gz JBRIDSVXQGYFTP-MRXNPFEDSA-N 1 1 436.586 0.985 20 0 ICADMO CC[C@H]1CCCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCS(=O)(=O)CC1 ZINC001546649946 1072229817 /nfs/dbraw/zinc/22/98/17/1072229817.db2.gz VGZDTARUTCORSJ-KRWDZBQOSA-N 1 1 438.598 0.900 20 0 ICADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCS(=O)(=O)CC1 ZINC001546649947 1072229744 /nfs/dbraw/zinc/22/97/44/1072229744.db2.gz VGZDTARUTCORSJ-QGZVFWFLSA-N 1 1 438.598 0.900 20 0 ICADMO CC[C@@H]1CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001546675062 1072230919 /nfs/dbraw/zinc/23/09/19/1072230919.db2.gz FWOMACWKNMMBMG-GJYPPUQNSA-N 1 1 442.586 0.056 20 0 ICADMO CC[C@@H]1CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001546675063 1072230724 /nfs/dbraw/zinc/23/07/24/1072230724.db2.gz FWOMACWKNMMBMG-GPMSIDNRSA-N 1 1 442.586 0.056 20 0 ICADMO CC[C@@H]1CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001546675064 1072230741 /nfs/dbraw/zinc/23/07/41/1072230741.db2.gz FWOMACWKNMMBMG-JTDSTZFVSA-N 1 1 442.586 0.056 20 0 ICADMO CC[C@@H]1CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001546675065 1072230883 /nfs/dbraw/zinc/23/08/83/1072230883.db2.gz FWOMACWKNMMBMG-MDZRGWNJSA-N 1 1 442.586 0.056 20 0 ICADMO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2nncn2CC)CC[N@H+]1CCOC ZINC001546705586 1072231909 /nfs/dbraw/zinc/23/19/09/1072231909.db2.gz PLHDGHWRWVNPHK-KRWDZBQOSA-N 1 1 445.572 0.721 20 0 ICADMO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2nncn2CC)CC[N@H+]1CCOC ZINC001546705587 1072232072 /nfs/dbraw/zinc/23/20/72/1072232072.db2.gz PLHDGHWRWVNPHK-QGZVFWFLSA-N 1 1 445.572 0.721 20 0 ICADMO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCC2CC2)CC[N@H+]1CCOC ZINC001546705615 1072231769 /nfs/dbraw/zinc/23/17/69/1072231769.db2.gz QDTHKONLFXWKQW-GOSISDBHSA-N 1 1 447.584 0.587 20 0 ICADMO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCC2CC2)CC[N@H+]1CCOC ZINC001546705616 1072231937 /nfs/dbraw/zinc/23/19/37/1072231937.db2.gz QDTHKONLFXWKQW-SFHVURJKSA-N 1 1 447.584 0.587 20 0 ICADMO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCOC2)CC[N@H+]1CCOC ZINC001546705981 1072232044 /nfs/dbraw/zinc/23/20/44/1072232044.db2.gz YISNXZFECVNZFQ-DYESRHJHSA-N 1 1 436.557 0.213 20 0 ICADMO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCOC2)CC[N@H+]1CCOC ZINC001546705982 1072232010 /nfs/dbraw/zinc/23/20/10/1072232010.db2.gz YISNXZFECVNZFQ-LAUBAEHRSA-N 1 1 436.557 0.213 20 0 ICADMO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCOC2)CC[N@H+]1CCOC ZINC001546705983 1072231813 /nfs/dbraw/zinc/23/18/13/1072231813.db2.gz YISNXZFECVNZFQ-UTKZUKDTSA-N 1 1 436.557 0.213 20 0 ICADMO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCOC2)CC[N@H+]1CCOC ZINC001546705984 1072231866 /nfs/dbraw/zinc/23/18/66/1072231866.db2.gz YISNXZFECVNZFQ-UWJYYQICSA-N 1 1 436.557 0.213 20 0 ICADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[C@H](CO)O2)CC[N@H+]1CCOC ZINC001546706809 1072231835 /nfs/dbraw/zinc/23/18/35/1072231835.db2.gz MACIEIXMGORAMH-FGTMMUONSA-N 1 1 438.573 0.503 20 0 ICADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[C@H](CO)O2)CC[N@H+]1CCOC ZINC001546706810 1072231794 /nfs/dbraw/zinc/23/17/94/1072231794.db2.gz MACIEIXMGORAMH-OKZBNKHCSA-N 1 1 438.573 0.503 20 0 ICADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)C(=O)NC)CC[N@H+]1CCOC ZINC001546708739 1072232509 /nfs/dbraw/zinc/23/25/09/1072232509.db2.gz WILIWONNOJANNO-INIZCTEOSA-N 1 1 437.589 0.736 20 0 ICADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)C(=O)NC)CC[N@H+]1CCOC ZINC001546708740 1072232482 /nfs/dbraw/zinc/23/24/82/1072232482.db2.gz WILIWONNOJANNO-MRXNPFEDSA-N 1 1 437.589 0.736 20 0 ICADMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CC(=O)N2CCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC001546709357 1072232614 /nfs/dbraw/zinc/23/26/14/1072232614.db2.gz GSGJUEBTKYVFBX-MSOLQXFVSA-N 1 1 434.585 0.981 20 0 ICADMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CC(=O)N2CCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC001546709358 1072232563 /nfs/dbraw/zinc/23/25/63/1072232563.db2.gz GSGJUEBTKYVFBX-QZTJIDSGSA-N 1 1 434.585 0.981 20 0 ICADMO CC[C@H]1CN(c2nnc(C(C)(C)C)n2CC(=O)N2CCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC001546709359 1072232662 /nfs/dbraw/zinc/23/26/62/1072232662.db2.gz GSGJUEBTKYVFBX-ROUUACIJSA-N 1 1 434.585 0.981 20 0 ICADMO CC[C@H]1CN(c2nnc(C(C)(C)C)n2CC(=O)N2CCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC001546709360 1072232551 /nfs/dbraw/zinc/23/25/51/1072232551.db2.gz GSGJUEBTKYVFBX-ZWKOTPCHSA-N 1 1 434.585 0.981 20 0 ICADMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCNS(C)(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001546709529 1072232531 /nfs/dbraw/zinc/23/25/31/1072232531.db2.gz JDNIXMJDNPVEKS-CVEARBPZSA-N 1 1 428.603 0.672 20 0 ICADMO CC[C@H]1CN(c2nnc(C(C)(C)C)n2CCNS(C)(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001546709530 1072232580 /nfs/dbraw/zinc/23/25/80/1072232580.db2.gz JDNIXMJDNPVEKS-HOTGVXAUSA-N 1 1 428.603 0.672 20 0 ICADMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCNS(C)(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC001546709531 1072232655 /nfs/dbraw/zinc/23/26/55/1072232655.db2.gz JDNIXMJDNPVEKS-HZPDHXFCSA-N 1 1 428.603 0.672 20 0 ICADMO CC[C@H]1CN(c2nnc(C(C)(C)C)n2CCNS(C)(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC001546709532 1072232597 /nfs/dbraw/zinc/23/25/97/1072232597.db2.gz JDNIXMJDNPVEKS-JKSUJKDBSA-N 1 1 428.603 0.672 20 0 ICADMO CC[C@@H]1CN(c2nnc(C(C)C)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H]1[NH+]1CCOCC1 ZINC001546711659 1072232648 /nfs/dbraw/zinc/23/26/48/1072232648.db2.gz SOOMCLKILKGWGR-IKGGRYGDSA-N 1 1 433.557 0.937 20 0 ICADMO CC[C@@H]1CN(c2nnc(C(C)C)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H]1[NH+]1CCOCC1 ZINC001546711660 1072232470 /nfs/dbraw/zinc/23/24/70/1072232470.db2.gz SOOMCLKILKGWGR-IXDOHACOSA-N 1 1 433.557 0.937 20 0 ICADMO CC[C@H]1CN(c2nnc(C(C)C)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H]1[NH+]1CCOCC1 ZINC001546711661 1072232638 /nfs/dbraw/zinc/23/26/38/1072232638.db2.gz SOOMCLKILKGWGR-ULQDDVLXSA-N 1 1 433.557 0.937 20 0 ICADMO CC[C@H]1CN(c2nnc(C(C)C)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H]1[NH+]1CCOCC1 ZINC001546711662 1072232670 /nfs/dbraw/zinc/23/26/70/1072232670.db2.gz SOOMCLKILKGWGR-YESZJQIVSA-N 1 1 433.557 0.937 20 0 ICADMO CC[C@H]1CN(c2nnc(C(C)C)n2CC2(O)CCS(=O)(=O)CC2)CC[N@H+]1CCOC ZINC001546711711 1072232623 /nfs/dbraw/zinc/23/26/23/1072232623.db2.gz UCDNVJCBNCLZMF-KRWDZBQOSA-N 1 1 443.614 0.888 20 0 ICADMO CC[C@@H]1CN(c2nnc(C(C)C)n2CC2(O)CCS(=O)(=O)CC2)CC[N@H+]1CCOC ZINC001546711712 1072232674 /nfs/dbraw/zinc/23/26/74/1072232674.db2.gz UCDNVJCBNCLZMF-QGZVFWFLSA-N 1 1 443.614 0.888 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CC2)C[C@H]1[NH+]1CCOCC1 ZINC001546714087 1072233486 /nfs/dbraw/zinc/23/34/86/1072233486.db2.gz QXKIPXFAPROORH-DJIMGWMZSA-N 1 1 426.587 0.845 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CC2)C[C@@H]1[NH+]1CCOCC1 ZINC001546714088 1072233595 /nfs/dbraw/zinc/23/35/95/1072233595.db2.gz QXKIPXFAPROORH-OIISXLGYSA-N 1 1 426.587 0.845 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CC2)C[C@@H]1[NH+]1CCOCC1 ZINC001546714089 1072233537 /nfs/dbraw/zinc/23/35/37/1072233537.db2.gz QXKIPXFAPROORH-UAGQMJEPSA-N 1 1 426.587 0.845 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CC2)C[C@H]1[NH+]1CCOCC1 ZINC001546714090 1072233547 /nfs/dbraw/zinc/23/35/47/1072233547.db2.gz QXKIPXFAPROORH-USXIJHARSA-N 1 1 426.587 0.845 20 0 ICADMO CC[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001546715729 1072234046 /nfs/dbraw/zinc/23/40/46/1072234046.db2.gz VWYAGLUKKHJPIF-CVEARBPZSA-N 1 1 444.602 0.614 20 0 ICADMO CC[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001546715729 1072234037 /nfs/dbraw/zinc/23/40/37/1072234037.db2.gz VWYAGLUKKHJPIF-CVEARBPZSA-N 1 1 444.602 0.614 20 0 ICADMO CC[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001546715730 1072234094 /nfs/dbraw/zinc/23/40/94/1072234094.db2.gz VWYAGLUKKHJPIF-HOTGVXAUSA-N 1 1 444.602 0.614 20 0 ICADMO CC[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001546715730 1072234087 /nfs/dbraw/zinc/23/40/87/1072234087.db2.gz VWYAGLUKKHJPIF-HOTGVXAUSA-N 1 1 444.602 0.614 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001546715731 1072234304 /nfs/dbraw/zinc/23/43/04/1072234304.db2.gz VWYAGLUKKHJPIF-HZPDHXFCSA-N 1 1 444.602 0.614 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001546715731 1072234296 /nfs/dbraw/zinc/23/42/96/1072234296.db2.gz VWYAGLUKKHJPIF-HZPDHXFCSA-N 1 1 444.602 0.614 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001546715732 1072234204 /nfs/dbraw/zinc/23/42/04/1072234204.db2.gz VWYAGLUKKHJPIF-JKSUJKDBSA-N 1 1 444.602 0.614 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001546715732 1072234200 /nfs/dbraw/zinc/23/42/00/1072234200.db2.gz VWYAGLUKKHJPIF-JKSUJKDBSA-N 1 1 444.602 0.614 20 0 ICADMO CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCCNC(C)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001546740293 1072234258 /nfs/dbraw/zinc/23/42/58/1072234258.db2.gz ZHZABZJNYBPKJD-HKUYNNGSSA-N 1 1 430.557 0.752 20 0 ICADMO CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCCNC(C)=O)C[C@H]1[NH+]1CCOCC1 ZINC001546740294 1072234156 /nfs/dbraw/zinc/23/41/56/1072234156.db2.gz ZHZABZJNYBPKJD-IEBWSBKVSA-N 1 1 430.557 0.752 20 0 ICADMO CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCCNC(C)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001546740295 1072234869 /nfs/dbraw/zinc/23/48/69/1072234869.db2.gz ZHZABZJNYBPKJD-MJGOQNOKSA-N 1 1 430.557 0.752 20 0 ICADMO CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCCNC(C)=O)C[C@H]1[NH+]1CCOCC1 ZINC001546740296 1072234916 /nfs/dbraw/zinc/23/49/16/1072234916.db2.gz ZHZABZJNYBPKJD-PKOBYXMFSA-N 1 1 430.557 0.752 20 0 ICADMO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2CCC(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001546740359 1072234942 /nfs/dbraw/zinc/23/49/42/1072234942.db2.gz AKTSKGGLWUJOSC-AEFFLSMTSA-N 1 1 428.541 0.760 20 0 ICADMO CC[C@H]1CN(c2nnc(-c3cnccn3)n2CCC(=O)N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001546740360 1072234778 /nfs/dbraw/zinc/23/47/78/1072234778.db2.gz AKTSKGGLWUJOSC-FUHWJXTLSA-N 1 1 428.541 0.760 20 0 ICADMO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2CCC(=O)N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001546740361 1072234952 /nfs/dbraw/zinc/23/49/52/1072234952.db2.gz AKTSKGGLWUJOSC-SJLPKXTDSA-N 1 1 428.541 0.760 20 0 ICADMO CC[C@H]1CN(c2nnc(-c3cnccn3)n2CCC(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001546740362 1072234898 /nfs/dbraw/zinc/23/48/98/1072234898.db2.gz AKTSKGGLWUJOSC-WMZOPIPTSA-N 1 1 428.541 0.760 20 0 ICADMO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@]2(O)CCO[C@@H]2C)CC[N@H+]1CCOC ZINC001546741874 1072234794 /nfs/dbraw/zinc/23/47/94/1072234794.db2.gz YRNOYRXZOXUFFU-CBGDNZLLSA-N 1 1 431.541 0.822 20 0 ICADMO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@]2(O)CCO[C@H]2C)CC[N@H+]1CCOC ZINC001546741876 1072234882 /nfs/dbraw/zinc/23/48/82/1072234882.db2.gz YRNOYRXZOXUFFU-CSODHUTKSA-N 1 1 431.541 0.822 20 0 ICADMO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CCO[C@H]2C)CC[N@H+]1CCOC ZINC001546741878 1072234927 /nfs/dbraw/zinc/23/49/27/1072234927.db2.gz YRNOYRXZOXUFFU-FVJLSDCUSA-N 1 1 431.541 0.822 20 0 ICADMO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CCO[C@@H]2C)CC[N@H+]1CCOC ZINC001546741880 1072234687 /nfs/dbraw/zinc/23/46/87/1072234687.db2.gz YRNOYRXZOXUFFU-LZJOCLMNSA-N 1 1 431.541 0.822 20 0 ICADMO CC[C@H]1CN(c2nnc(C3CC3)n2CC2(O)CCS(=O)(=O)CC2)CC[N@H+]1CCOC ZINC001546742465 1072234656 /nfs/dbraw/zinc/23/46/56/1072234656.db2.gz KLXJPKDYVHKJBC-KRWDZBQOSA-N 1 1 441.598 0.642 20 0 ICADMO CC[C@@H]1CN(c2nnc(C3CC3)n2CC2(O)CCS(=O)(=O)CC2)CC[N@H+]1CCOC ZINC001546742466 1072234757 /nfs/dbraw/zinc/23/47/57/1072234757.db2.gz KLXJPKDYVHKJBC-QGZVFWFLSA-N 1 1 441.598 0.642 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC(=O)N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001546743349 1072234852 /nfs/dbraw/zinc/23/48/52/1072234852.db2.gz ASGHCBRTUMYZHJ-FGTMMUONSA-N 1 1 447.584 0.645 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCC(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001546743350 1072234861 /nfs/dbraw/zinc/23/48/61/1072234861.db2.gz ASGHCBRTUMYZHJ-KURKYZTESA-N 1 1 447.584 0.645 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCC(=O)N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001546743351 1072234714 /nfs/dbraw/zinc/23/47/14/1072234714.db2.gz ASGHCBRTUMYZHJ-KZNAEPCWSA-N 1 1 447.584 0.645 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001546743352 1072234829 /nfs/dbraw/zinc/23/48/29/1072234829.db2.gz ASGHCBRTUMYZHJ-SQNIBIBYSA-N 1 1 447.584 0.645 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC2([S@](C)=O)CC2)CC[N@H+]1CCOC ZINC001546743665 1072234816 /nfs/dbraw/zinc/23/48/16/1072234816.db2.gz FVKPVAJFJDSTAJ-KHFRWJKUSA-N 1 1 438.598 0.687 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC2([S@](C)=O)CC2)CC[N@@H+]1CCOC ZINC001546743665 1072234812 /nfs/dbraw/zinc/23/48/12/1072234812.db2.gz FVKPVAJFJDSTAJ-KHFRWJKUSA-N 1 1 438.598 0.687 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC2([S@](C)=O)CC2)CC[N@H+]1CCOC ZINC001546743666 1072234742 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CCC[C@@H](C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001546854996 1072243752 /nfs/dbraw/zinc/24/37/52/1072243752.db2.gz QJVQSTFDEUAZNF-QZTJIDSGSA-N 1 1 447.584 0.587 20 0 ICADMO CCC[C@@H](C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001546854996 1072243744 /nfs/dbraw/zinc/24/37/44/1072243744.db2.gz QJVQSTFDEUAZNF-QZTJIDSGSA-N 1 1 447.584 0.587 20 0 ICADMO CCC[C@H](C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001546854997 1072243800 /nfs/dbraw/zinc/24/38/00/1072243800.db2.gz QJVQSTFDEUAZNF-ROUUACIJSA-N 1 1 447.584 0.587 20 0 ICADMO CCC[C@H](C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001546854997 1072243793 /nfs/dbraw/zinc/24/37/93/1072243793.db2.gz QJVQSTFDEUAZNF-ROUUACIJSA-N 1 1 447.584 0.587 20 0 ICADMO CCC[C@H](C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001546854998 1072243646 /nfs/dbraw/zinc/24/36/46/1072243646.db2.gz QJVQSTFDEUAZNF-ZWKOTPCHSA-N 1 1 447.584 0.587 20 0 ICADMO CCC[C@H](C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001546854998 1072243643 /nfs/dbraw/zinc/24/36/43/1072243643.db2.gz QJVQSTFDEUAZNF-ZWKOTPCHSA-N 1 1 447.584 0.587 20 0 ICADMO CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001546861307 1072244725 /nfs/dbraw/zinc/24/47/25/1072244725.db2.gz UOCCZNGYNXCQNX-BBWFWOEESA-N 1 1 433.557 0.302 20 0 ICADMO CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001546861307 1072244721 /nfs/dbraw/zinc/24/47/21/1072244721.db2.gz UOCCZNGYNXCQNX-BBWFWOEESA-N 1 1 433.557 0.302 20 0 ICADMO CCC[C@H](C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001546861308 1072244673 /nfs/dbraw/zinc/24/46/73/1072244673.db2.gz UOCCZNGYNXCQNX-GVDBMIGSSA-N 1 1 433.557 0.302 20 0 ICADMO CCC[C@H](C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001546861308 1072244670 /nfs/dbraw/zinc/24/46/70/1072244670.db2.gz UOCCZNGYNXCQNX-GVDBMIGSSA-N 1 1 433.557 0.302 20 0 ICADMO CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001546861309 1072244747 /nfs/dbraw/zinc/24/47/47/1072244747.db2.gz UOCCZNGYNXCQNX-ULQDDVLXSA-N 1 1 433.557 0.302 20 0 ICADMO CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001546861309 1072244745 /nfs/dbraw/zinc/24/47/45/1072244745.db2.gz UOCCZNGYNXCQNX-ULQDDVLXSA-N 1 1 433.557 0.302 20 0 ICADMO CCC[C@H](C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001546861310 1072244762 /nfs/dbraw/zinc/24/47/62/1072244762.db2.gz UOCCZNGYNXCQNX-YESZJQIVSA-N 1 1 433.557 0.302 20 0 ICADMO CCC[C@H](C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001546861310 1072244754 /nfs/dbraw/zinc/24/47/54/1072244754.db2.gz UOCCZNGYNXCQNX-YESZJQIVSA-N 1 1 433.557 0.302 20 0 ICADMO CCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@@H]3C2)CC1 ZINC001546928948 1072247579 /nfs/dbraw/zinc/24/75/79/1072247579.db2.gz FCYOSUBKQUXLTB-CVEARBPZSA-N 1 1 426.587 0.989 20 0 ICADMO CCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@@H]3C2)CC1 ZINC001546928948 1072247575 /nfs/dbraw/zinc/24/75/75/1072247575.db2.gz FCYOSUBKQUXLTB-CVEARBPZSA-N 1 1 426.587 0.989 20 0 ICADMO CCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@@H]3C2)CC1 ZINC001546928949 1072247641 /nfs/dbraw/zinc/24/76/41/1072247641.db2.gz FCYOSUBKQUXLTB-HOTGVXAUSA-N 1 1 426.587 0.989 20 0 ICADMO CCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@@H]3C2)CC1 ZINC001546928949 1072247636 /nfs/dbraw/zinc/24/76/36/1072247636.db2.gz FCYOSUBKQUXLTB-HOTGVXAUSA-N 1 1 426.587 0.989 20 0 ICADMO CCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@H]3C2)CC1 ZINC001546928950 1072247627 /nfs/dbraw/zinc/24/76/27/1072247627.db2.gz FCYOSUBKQUXLTB-HZPDHXFCSA-N 1 1 426.587 0.989 20 0 ICADMO CCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@H]3C2)CC1 ZINC001546928950 1072247621 /nfs/dbraw/zinc/24/76/21/1072247621.db2.gz FCYOSUBKQUXLTB-HZPDHXFCSA-N 1 1 426.587 0.989 20 0 ICADMO CCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@H]3C2)CC1 ZINC001546928951 1072247596 /nfs/dbraw/zinc/24/75/96/1072247596.db2.gz FCYOSUBKQUXLTB-JKSUJKDBSA-N 1 1 426.587 0.989 20 0 ICADMO CCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@H]3C2)CC1 ZINC001546928951 1072247593 /nfs/dbraw/zinc/24/75/93/1072247593.db2.gz FCYOSUBKQUXLTB-JKSUJKDBSA-N 1 1 426.587 0.989 20 0 ICADMO CCC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2nncn2C)CC[N@H+]1CCOC ZINC001546943020 1072248199 /nfs/dbraw/zinc/24/81/99/1072248199.db2.gz VVQFKAXCQOHCIX-KRWDZBQOSA-N 1 1 445.572 0.628 20 0 ICADMO CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2nncn2C)CC[N@H+]1CCOC ZINC001546943021 1072248080 /nfs/dbraw/zinc/24/80/80/1072248080.db2.gz VVQFKAXCQOHCIX-QGZVFWFLSA-N 1 1 445.572 0.628 20 0 ICADMO CCC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ncn(C)n2)CC[N@H+]1CCOC ZINC001546943108 1072248124 /nfs/dbraw/zinc/24/81/24/1072248124.db2.gz XPBUBDXOTMVTTC-INIZCTEOSA-N 1 1 433.561 0.530 20 0 ICADMO CCC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ncn(C)n2)CC[N@H+]1CCOC ZINC001546943109 1072248020 /nfs/dbraw/zinc/24/80/20/1072248020.db2.gz XPBUBDXOTMVTTC-MRXNPFEDSA-N 1 1 433.561 0.530 20 0 ICADMO CCC[C@H]1CN(c2nnc(C)n2CC2(O)CCS(=O)(=O)CC2)CC[N@H+]1CCOC ZINC001546946166 1072248647 /nfs/dbraw/zinc/24/86/47/1072248647.db2.gz WGAGJHPNSMAKJR-KRWDZBQOSA-N 1 1 429.587 0.463 20 0 ICADMO CCC[C@@H]1CN(c2nnc(C)n2CC2(O)CCS(=O)(=O)CC2)CC[N@H+]1CCOC ZINC001546946167 1072248734 /nfs/dbraw/zinc/24/87/34/1072248734.db2.gz WGAGJHPNSMAKJR-QGZVFWFLSA-N 1 1 429.587 0.463 20 0 ICADMO CCC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)N(C)CC)CC[N@H+]1CCOC ZINC001546953234 1072248682 /nfs/dbraw/zinc/24/86/82/1072248682.db2.gz LVXJLFPJARWPJW-DLBZAZTESA-N 1 1 435.573 0.645 20 0 ICADMO CCC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)N(C)CC)CC[N@H+]1CCOC ZINC001546953235 1072249300 /nfs/dbraw/zinc/24/93/00/1072249300.db2.gz LVXJLFPJARWPJW-IAGOWNOFSA-N 1 1 435.573 0.645 20 0 ICADMO CCC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)N(C)CC)CC[N@H+]1CCOC ZINC001546953236 1072249366 /nfs/dbraw/zinc/24/93/66/1072249366.db2.gz LVXJLFPJARWPJW-IRXDYDNUSA-N 1 1 435.573 0.645 20 0 ICADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)N(C)CC)CC[N@H+]1CCOC ZINC001546953237 1072249253 /nfs/dbraw/zinc/24/92/53/1072249253.db2.gz LVXJLFPJARWPJW-SJORKVTESA-N 1 1 435.573 0.645 20 0 ICADMO CCC[C@H]1CN(c2nnc(CC)n2CC2(O)CCS(=O)(=O)CC2)CC[N@H+]1CCOC ZINC001546958411 1072249172 /nfs/dbraw/zinc/24/91/72/1072249172.db2.gz XPCPIPJZURQUQR-KRWDZBQOSA-N 1 1 443.614 0.717 20 0 ICADMO CCC[C@@H]1CN(c2nnc(CC)n2CC2(O)CCS(=O)(=O)CC2)CC[N@H+]1CCOC ZINC001546958412 1072249708 /nfs/dbraw/zinc/24/97/08/1072249708.db2.gz XPCPIPJZURQUQR-QGZVFWFLSA-N 1 1 443.614 0.717 20 0 ICADMO CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CCOC)CC1 ZINC001546976130 1072249628 /nfs/dbraw/zinc/24/96/28/1072249628.db2.gz DSKNDEOPXYDTOQ-KRWDZBQOSA-N 1 1 444.602 0.570 20 0 ICADMO CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CCOC)CC1 ZINC001546976131 1072249755 /nfs/dbraw/zinc/24/97/55/1072249755.db2.gz DSKNDEOPXYDTOQ-QGZVFWFLSA-N 1 1 444.602 0.570 20 0 ICADMO CCCC[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001547001982 1072250769 /nfs/dbraw/zinc/25/07/69/1072250769.db2.gz NMWVWRCNKXSDRE-UHFFFAOYSA-N 1 1 448.572 0.669 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001547003128 1072251226 /nfs/dbraw/zinc/25/12/26/1072251226.db2.gz RPFLDRJLSHKKHW-CABCVRRESA-N 1 1 443.574 0.261 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001547003130 1072251397 /nfs/dbraw/zinc/25/13/97/1072251397.db2.gz RPFLDRJLSHKKHW-GJZGRUSLSA-N 1 1 443.574 0.261 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001547003132 1072251303 /nfs/dbraw/zinc/25/13/03/1072251303.db2.gz RPFLDRJLSHKKHW-HUUCEWRRSA-N 1 1 443.574 0.261 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001547003134 1072251450 /nfs/dbraw/zinc/25/14/50/1072251450.db2.gz RPFLDRJLSHKKHW-LSDHHAIUSA-N 1 1 443.574 0.261 20 0 ICADMO CCCC[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001547004488 1072251184 /nfs/dbraw/zinc/25/11/84/1072251184.db2.gz FLKSEFIZDMWRNB-UHFFFAOYSA-N 1 1 436.586 0.985 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001547006213 1072251287 /nfs/dbraw/zinc/25/12/87/1072251287.db2.gz GXFSFZUHRZYWRP-HOTGVXAUSA-N 1 1 441.602 0.431 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001547006214 1072251318 /nfs/dbraw/zinc/25/13/18/1072251318.db2.gz GXFSFZUHRZYWRP-JKSUJKDBSA-N 1 1 441.602 0.431 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001547006365 1072251439 /nfs/dbraw/zinc/25/14/39/1072251439.db2.gz ODQAURWUSYAYGK-DLBZAZTESA-N 1 1 428.603 0.984 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001547006366 1072251417 /nfs/dbraw/zinc/25/14/17/1072251417.db2.gz ODQAURWUSYAYGK-IRXDYDNUSA-N 1 1 428.603 0.984 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001547007100 1072251195 /nfs/dbraw/zinc/25/11/95/1072251195.db2.gz QUBKAGNXYVDUJJ-INIZCTEOSA-N 1 1 441.602 0.479 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001547007101 1072251425 /nfs/dbraw/zinc/25/14/25/1072251425.db2.gz QUBKAGNXYVDUJJ-MRXNPFEDSA-N 1 1 441.602 0.479 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001547007186 1072251359 /nfs/dbraw/zinc/25/13/59/1072251359.db2.gz XONXDLGDYHRPRJ-JXFKEZNVSA-N 1 1 438.598 0.771 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001547007187 1072251238 /nfs/dbraw/zinc/25/12/38/1072251238.db2.gz XONXDLGDYHRPRJ-OXJNMPFZSA-N 1 1 438.598 0.771 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001547007188 1072251459 /nfs/dbraw/zinc/25/14/59/1072251459.db2.gz XONXDLGDYHRPRJ-OXQOHEQNSA-N 1 1 438.598 0.771 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001547007189 1072251260 /nfs/dbraw/zinc/25/12/60/1072251260.db2.gz XONXDLGDYHRPRJ-UZLBHIALSA-N 1 1 438.598 0.771 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001547007329 1072251374 /nfs/dbraw/zinc/25/13/74/1072251374.db2.gz UQUPGJWUBQNAAT-CVEARBPZSA-N 1 1 426.587 0.975 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001547007330 1072251408 /nfs/dbraw/zinc/25/14/08/1072251408.db2.gz UQUPGJWUBQNAAT-HOTGVXAUSA-N 1 1 426.587 0.975 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001547007331 1072251214 /nfs/dbraw/zinc/25/12/14/1072251214.db2.gz UQUPGJWUBQNAAT-HZPDHXFCSA-N 1 1 426.587 0.975 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001547007332 1072251338 /nfs/dbraw/zinc/25/13/38/1072251338.db2.gz UQUPGJWUBQNAAT-JKSUJKDBSA-N 1 1 426.587 0.975 20 0 ICADMO CCCC[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001547008974 1072251827 /nfs/dbraw/zinc/25/18/27/1072251827.db2.gz RQAGUYXEKFSDBC-GOSISDBHSA-N 1 1 432.573 0.823 20 0 ICADMO CCCC[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001547008977 1072251908 /nfs/dbraw/zinc/25/19/08/1072251908.db2.gz RQAGUYXEKFSDBC-SFHVURJKSA-N 1 1 432.573 0.823 20 0 ICADMO CCCC[N@@H+](C)CCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 ZINC001547009100 1072251804 /nfs/dbraw/zinc/25/18/04/1072251804.db2.gz VCVPTRPYBLDJHY-DYESRHJHSA-N 1 1 435.573 0.876 20 0 ICADMO CCCC[N@@H+](C)CCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 ZINC001547009101 1072251938 /nfs/dbraw/zinc/25/19/38/1072251938.db2.gz VCVPTRPYBLDJHY-LAUBAEHRSA-N 1 1 435.573 0.876 20 0 ICADMO CCCC[N@@H+](C)CCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 ZINC001547009102 1072251975 /nfs/dbraw/zinc/25/19/75/1072251975.db2.gz VCVPTRPYBLDJHY-UTKZUKDTSA-N 1 1 435.573 0.876 20 0 ICADMO CCCC[N@@H+](C)CCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 ZINC001547009103 1072251895 /nfs/dbraw/zinc/25/18/95/1072251895.db2.gz VCVPTRPYBLDJHY-UWJYYQICSA-N 1 1 435.573 0.876 20 0 ICADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001547053295 1072252400 /nfs/dbraw/zinc/25/24/00/1072252400.db2.gz RSZJUGVXUDIADQ-HTAPYJJXSA-N 1 1 449.600 0.616 20 0 ICADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001547053296 1072252445 /nfs/dbraw/zinc/25/24/45/1072252445.db2.gz RSZJUGVXUDIADQ-JTSKRJEESA-N 1 1 449.600 0.616 20 0 ICADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001547053297 1072252345 /nfs/dbraw/zinc/25/23/45/1072252345.db2.gz RSZJUGVXUDIADQ-VGOFRKELSA-N 1 1 449.600 0.616 20 0 ICADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001547053298 1072252386 /nfs/dbraw/zinc/25/23/86/1072252386.db2.gz RSZJUGVXUDIADQ-VGSWGCGISA-N 1 1 449.600 0.616 20 0 ICADMO CCCCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001547062220 1072252919 /nfs/dbraw/zinc/25/29/19/1072252919.db2.gz QRCOPXUXIHMWNX-JOCHJYFZSA-N 1 1 442.568 0.934 20 0 ICADMO CCCCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001547062222 1072252937 /nfs/dbraw/zinc/25/29/37/1072252937.db2.gz QRCOPXUXIHMWNX-QFIPXVFZSA-N 1 1 442.568 0.934 20 0 ICADMO CCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[NH+]1CCOCC1 ZINC001547090935 1072253910 /nfs/dbraw/zinc/25/39/10/1072253910.db2.gz DAEYNVITANJXKN-INIZCTEOSA-N 1 1 430.575 0.180 20 0 ICADMO CCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[NH+]1CCOCC1 ZINC001547090936 1072253868 /nfs/dbraw/zinc/25/38/68/1072253868.db2.gz DAEYNVITANJXKN-MRXNPFEDSA-N 1 1 430.575 0.180 20 0 ICADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(O)CCC2)C1 ZINC001547096687 1072254472 /nfs/dbraw/zinc/25/44/72/1072254472.db2.gz NYOJQMPVYMFQQR-CVEARBPZSA-N 1 1 428.603 0.971 20 0 ICADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(O)CCC2)C1 ZINC001547096688 1072254364 /nfs/dbraw/zinc/25/43/64/1072254364.db2.gz NYOJQMPVYMFQQR-HOTGVXAUSA-N 1 1 428.603 0.971 20 0 ICADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(O)CCC2)C1 ZINC001547096689 1072254395 /nfs/dbraw/zinc/25/43/95/1072254395.db2.gz NYOJQMPVYMFQQR-HZPDHXFCSA-N 1 1 428.603 0.971 20 0 ICADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(O)CCC2)C1 ZINC001547096690 1072254407 /nfs/dbraw/zinc/25/44/07/1072254407.db2.gz NYOJQMPVYMFQQR-JKSUJKDBSA-N 1 1 428.603 0.971 20 0 ICADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001547100273 1072254386 /nfs/dbraw/zinc/25/43/86/1072254386.db2.gz HBDOJNVARPTUCZ-BBWFWOEESA-N 1 1 438.598 0.832 20 0 ICADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001547100275 1072254463 /nfs/dbraw/zinc/25/44/63/1072254463.db2.gz HBDOJNVARPTUCZ-GVDBMIGSSA-N 1 1 438.598 0.832 20 0 ICADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001547100277 1072254310 /nfs/dbraw/zinc/25/43/10/1072254310.db2.gz HBDOJNVARPTUCZ-ULQDDVLXSA-N 1 1 438.598 0.832 20 0 ICADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001547100280 1072254339 /nfs/dbraw/zinc/25/43/39/1072254339.db2.gz HBDOJNVARPTUCZ-YESZJQIVSA-N 1 1 438.598 0.832 20 0 ICADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCCS2(=O)=O)C1 ZINC001547100606 1072254377 /nfs/dbraw/zinc/25/43/77/1072254377.db2.gz FAFVJXCQCOTVHH-MSOLQXFVSA-N 1 1 440.614 0.986 20 0 ICADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCCS2(=O)=O)C1 ZINC001547100607 1072254441 /nfs/dbraw/zinc/25/44/41/1072254441.db2.gz FAFVJXCQCOTVHH-QZTJIDSGSA-N 1 1 440.614 0.986 20 0 ICADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCCS2(=O)=O)C1 ZINC001547100608 1072254331 /nfs/dbraw/zinc/25/43/31/1072254331.db2.gz FAFVJXCQCOTVHH-ROUUACIJSA-N 1 1 440.614 0.986 20 0 ICADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCCS2(=O)=O)C1 ZINC001547100609 1072254424 /nfs/dbraw/zinc/25/44/24/1072254424.db2.gz FAFVJXCQCOTVHH-ZWKOTPCHSA-N 1 1 440.614 0.986 20 0 ICADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(C(N)=O)CCOCC2)C1 ZINC001547101186 1072254451 /nfs/dbraw/zinc/25/44/51/1072254451.db2.gz OCOCIZFECQEKEG-DLBZAZTESA-N 1 1 447.584 0.679 20 0 ICADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(C(N)=O)CCOCC2)C1 ZINC001547101187 1072254370 /nfs/dbraw/zinc/25/43/70/1072254370.db2.gz OCOCIZFECQEKEG-IAGOWNOFSA-N 1 1 447.584 0.679 20 0 ICADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(C(N)=O)CCOCC2)C1 ZINC001547101188 1072254432 /nfs/dbraw/zinc/25/44/32/1072254432.db2.gz OCOCIZFECQEKEG-IRXDYDNUSA-N 1 1 447.584 0.679 20 0 ICADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(C(N)=O)CCOCC2)C1 ZINC001547101189 1072254319 /nfs/dbraw/zinc/25/43/19/1072254319.db2.gz OCOCIZFECQEKEG-SJORKVTESA-N 1 1 447.584 0.679 20 0 ICADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)C1 ZINC001547101292 1072254413 /nfs/dbraw/zinc/25/44/13/1072254413.db2.gz KWISHDQKNWJRCB-FGTMMUONSA-N 1 1 441.598 0.764 20 0 ICADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)C1 ZINC001547101293 1072254350 /nfs/dbraw/zinc/25/43/50/1072254350.db2.gz KWISHDQKNWJRCB-KZNAEPCWSA-N 1 1 441.598 0.764 20 0 ICADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)C1 ZINC001547101294 1072254357 /nfs/dbraw/zinc/25/43/57/1072254357.db2.gz KWISHDQKNWJRCB-OKZBNKHCSA-N 1 1 441.598 0.764 20 0 ICADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)C1 ZINC001547101295 1072254914 /nfs/dbraw/zinc/25/49/14/1072254914.db2.gz KWISHDQKNWJRCB-RCCFBDPRSA-N 1 1 441.598 0.764 20 0 ICADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCOC2)C1 ZINC001547101350 1072254936 /nfs/dbraw/zinc/25/49/36/1072254936.db2.gz LNEBJFNIVNYLAE-ABSDTBQOSA-N 1 1 441.598 0.500 20 0 ICADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCOC2)C1 ZINC001547101351 1072254722 /nfs/dbraw/zinc/25/47/22/1072254722.db2.gz LNEBJFNIVNYLAE-QKLQHJQFSA-N 1 1 441.598 0.500 20 0 ICADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCOC2)C1 ZINC001547101352 1072254859 /nfs/dbraw/zinc/25/48/59/1072254859.db2.gz LNEBJFNIVNYLAE-SQGPQFPESA-N 1 1 441.598 0.500 20 0 ICADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCOC2)C1 ZINC001547101353 1072254961 /nfs/dbraw/zinc/25/49/61/1072254961.db2.gz LNEBJFNIVNYLAE-ZWOKBUDYSA-N 1 1 441.598 0.500 20 0 ICADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)N2CCOCC2)C1 ZINC001547104883 1072254798 /nfs/dbraw/zinc/25/47/98/1072254798.db2.gz YIAKTUXYMALEPT-GOSISDBHSA-N 1 1 447.584 0.427 20 0 ICADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)N2CCOCC2)C1 ZINC001547104884 1072254782 /nfs/dbraw/zinc/25/47/82/1072254782.db2.gz YIAKTUXYMALEPT-SFHVURJKSA-N 1 1 447.584 0.427 20 0 ICADMO CCC[N@@H+](CC)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001547116410 1072254953 /nfs/dbraw/zinc/25/49/53/1072254953.db2.gz ZCPADYRBDVGAGI-CVEARBPZSA-N 1 1 443.618 0.677 20 0 ICADMO CCC[N@@H+](CC)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001547116411 1072254885 /nfs/dbraw/zinc/25/48/85/1072254885.db2.gz ZCPADYRBDVGAGI-HOTGVXAUSA-N 1 1 443.618 0.677 20 0 ICADMO CCC[N@@H+](CC)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001547116412 1072254815 /nfs/dbraw/zinc/25/48/15/1072254815.db2.gz ZCPADYRBDVGAGI-HZPDHXFCSA-N 1 1 443.618 0.677 20 0 ICADMO CCC[N@@H+](CC)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001547116413 1072254927 /nfs/dbraw/zinc/25/49/27/1072254927.db2.gz ZCPADYRBDVGAGI-JKSUJKDBSA-N 1 1 443.618 0.677 20 0 ICADMO CCC[N@@H+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001547118684 1072254832 /nfs/dbraw/zinc/25/48/32/1072254832.db2.gz MJWJBJSPYZQUGN-UHFFFAOYSA-N 1 1 438.602 0.929 20 0 ICADMO CCC[N@@H+](CC)CCn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001547118820 1072254745 /nfs/dbraw/zinc/25/47/45/1072254745.db2.gz OIDKTQXKHIDQBX-INIZCTEOSA-N 1 1 436.586 0.937 20 0 ICADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001547120670 1072254899 /nfs/dbraw/zinc/25/48/99/1072254899.db2.gz ZNDRSUHZYVJBGN-INIZCTEOSA-N 1 1 426.587 0.975 20 0 ICADMO CCC[N@@H+](CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001547120671 1072255365 /nfs/dbraw/zinc/25/53/65/1072255365.db2.gz ZNDRSUHZYVJBGN-MRXNPFEDSA-N 1 1 426.587 0.975 20 0 ICADMO CCC[N@@H+](CC)CCn1c(CC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC001547121353 1072255489 /nfs/dbraw/zinc/25/54/89/1072255489.db2.gz QMZWZNJQLUZUHY-UHFFFAOYSA-N 1 1 433.561 0.039 20 0 ICADMO CCC[N@@H+](CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001547121526 1072255515 /nfs/dbraw/zinc/25/55/15/1072255515.db2.gz VFVAKUSHOVQMHG-JXFKEZNVSA-N 1 1 438.598 0.771 20 0 ICADMO CCC[N@@H+](CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001547121527 1072255420 /nfs/dbraw/zinc/25/54/20/1072255420.db2.gz VFVAKUSHOVQMHG-OXJNMPFZSA-N 1 1 438.598 0.771 20 0 ICADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001547121528 1072255465 /nfs/dbraw/zinc/25/54/65/1072255465.db2.gz VFVAKUSHOVQMHG-OXQOHEQNSA-N 1 1 438.598 0.771 20 0 ICADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001547121529 1072255342 /nfs/dbraw/zinc/25/53/42/1072255342.db2.gz VFVAKUSHOVQMHG-UZLBHIALSA-N 1 1 438.598 0.771 20 0 ICADMO CCC[N@@H+](CC)CCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001547121977 1072255440 /nfs/dbraw/zinc/25/54/40/1072255440.db2.gz KCGAQOAHXGNZJB-GOSISDBHSA-N 1 1 440.552 0.143 20 0 ICADMO CCC[N@@H+](CC)CCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001547121978 1072255457 /nfs/dbraw/zinc/25/54/57/1072255457.db2.gz KCGAQOAHXGNZJB-SFHVURJKSA-N 1 1 440.552 0.143 20 0 ICADMO CCC[N@@H+](CC)CCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 ZINC001547123301 1072255524 /nfs/dbraw/zinc/25/55/24/1072255524.db2.gz YTBVVOLMBGNWSV-DYESRHJHSA-N 1 1 435.573 0.876 20 0 ICADMO CCC[N@@H+](CC)CCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 ZINC001547123302 1072255499 /nfs/dbraw/zinc/25/54/99/1072255499.db2.gz YTBVVOLMBGNWSV-LAUBAEHRSA-N 1 1 435.573 0.876 20 0 ICADMO CCC[N@@H+](CC)CCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 ZINC001547123303 1072255329 /nfs/dbraw/zinc/25/53/29/1072255329.db2.gz YTBVVOLMBGNWSV-UTKZUKDTSA-N 1 1 435.573 0.876 20 0 ICADMO CCC[N@@H+](CC)CCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 ZINC001547123304 1072255399 /nfs/dbraw/zinc/25/53/99/1072255399.db2.gz YTBVVOLMBGNWSV-UWJYYQICSA-N 1 1 435.573 0.876 20 0 ICADMO 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CCN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001547309269 1072275751 /nfs/dbraw/zinc/27/57/51/1072275751.db2.gz FLNBTYQHPBRTLD-SFHVURJKSA-N 1 1 447.584 0.541 20 0 ICADMO CCN(C)C(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001547309718 1072276264 /nfs/dbraw/zinc/27/62/64/1072276264.db2.gz LZILHKZGJZOXNG-CABCVRRESA-N 1 1 427.575 0.041 20 0 ICADMO CCN(C)C(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001547309719 1072276386 /nfs/dbraw/zinc/27/63/86/1072276386.db2.gz LZILHKZGJZOXNG-GJZGRUSLSA-N 1 1 427.575 0.041 20 0 ICADMO CCN(C)C(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001547309720 1072276303 /nfs/dbraw/zinc/27/63/03/1072276303.db2.gz LZILHKZGJZOXNG-HUUCEWRRSA-N 1 1 427.575 0.041 20 0 ICADMO CCN(C)C(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001547309721 1072276428 /nfs/dbraw/zinc/27/64/28/1072276428.db2.gz LZILHKZGJZOXNG-LSDHHAIUSA-N 1 1 427.575 0.041 20 0 ICADMO CCN(C)C(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001547310336 1072276827 /nfs/dbraw/zinc/27/68/27/1072276827.db2.gz TZHKSBAYSGAYGV-INIZCTEOSA-N 1 1 435.573 0.584 20 0 ICADMO CCN(C)C(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001547310633 1072276797 /nfs/dbraw/zinc/27/67/97/1072276797.db2.gz ZLKHKYMUTQTFHG-UHFFFAOYSA-N 1 1 437.589 0.689 20 0 ICADMO CCN(C)C(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001547314634 1072277731 /nfs/dbraw/zinc/27/77/31/1072277731.db2.gz CBULBRTWXVEZRB-GOSISDBHSA-N 1 1 440.552 0.561 20 0 ICADMO CCN(C)C(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001547314637 1072277805 /nfs/dbraw/zinc/27/78/05/1072277805.db2.gz CBULBRTWXVEZRB-SFHVURJKSA-N 1 1 440.552 0.561 20 0 ICADMO CCN(C)C(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001547314967 1072277754 /nfs/dbraw/zinc/27/77/54/1072277754.db2.gz IUEDHJWEVCQRNE-UHFFFAOYSA-N 1 1 442.568 0.886 20 0 ICADMO CCN(C)C(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001547314967 1072277751 /nfs/dbraw/zinc/27/77/51/1072277751.db2.gz IUEDHJWEVCQRNE-UHFFFAOYSA-N 1 1 442.568 0.886 20 0 ICADMO CCN(C)C(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001547317328 1072279416 /nfs/dbraw/zinc/27/94/16/1072279416.db2.gz YCOOPVXYUHADHC-INIZCTEOSA-N 1 1 435.573 0.502 20 0 ICADMO CCN(C)C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001547317335 1072279342 /nfs/dbraw/zinc/27/93/42/1072279342.db2.gz YCOOPVXYUHADHC-MRXNPFEDSA-N 1 1 435.573 0.502 20 0 ICADMO CCN(C)C(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001547317817 1072280179 /nfs/dbraw/zinc/28/01/79/1072280179.db2.gz CODFZKCVAMQAOD-MSOLQXFVSA-N 1 1 447.584 0.393 20 0 ICADMO CCN(C)C(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001547317818 1072280396 /nfs/dbraw/zinc/28/03/96/1072280396.db2.gz CODFZKCVAMQAOD-QZTJIDSGSA-N 1 1 447.584 0.393 20 0 ICADMO CCN(C)C(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001547317819 1072280221 /nfs/dbraw/zinc/28/02/21/1072280221.db2.gz CODFZKCVAMQAOD-ROUUACIJSA-N 1 1 447.584 0.393 20 0 ICADMO CCN(C)C(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001547317820 1072280359 /nfs/dbraw/zinc/28/03/59/1072280359.db2.gz CODFZKCVAMQAOD-ZWKOTPCHSA-N 1 1 447.584 0.393 20 0 ICADMO CCN(C)C(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[NH+](CCOC)CC1 ZINC001547318752 1072281482 /nfs/dbraw/zinc/28/14/82/1072281482.db2.gz PEFZNXNISVYOEA-UHFFFAOYSA-N 1 1 440.552 0.763 20 0 ICADMO CCN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001547320167 1072281926 /nfs/dbraw/zinc/28/19/26/1072281926.db2.gz DABKIMLRKBAYEA-NRFANRHFSA-N 1 1 433.557 0.180 20 0 ICADMO CCN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001547320170 1072281892 /nfs/dbraw/zinc/28/18/92/1072281892.db2.gz DABKIMLRKBAYEA-OAQYLSRUSA-N 1 1 433.557 0.180 20 0 ICADMO CCN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001547320556 1072281847 /nfs/dbraw/zinc/28/18/47/1072281847.db2.gz IYMOUWHRYLAQHY-UHFFFAOYSA-N 1 1 435.573 0.426 20 0 ICADMO CCN(C)C(=O)Cn1c(CC2CC2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001547320590 1072281820 /nfs/dbraw/zinc/28/18/20/1072281820.db2.gz MYTKJJNCSBEXNV-APWZRJJASA-N 1 1 431.585 0.698 20 0 ICADMO CCN(C)C(=O)Cn1c(CC2CC2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001547320594 1072281827 /nfs/dbraw/zinc/28/18/27/1072281827.db2.gz MYTKJJNCSBEXNV-LPHOPBHVSA-N 1 1 431.585 0.698 20 0 ICADMO CCN(C)C(=O)Cn1c(CC2CC2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001547320595 1072281973 /nfs/dbraw/zinc/28/19/73/1072281973.db2.gz MYTKJJNCSBEXNV-QFBILLFUSA-N 1 1 431.585 0.698 20 0 ICADMO CCN(C)C(=O)Cn1c(CC2CC2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001547320596 1072281878 /nfs/dbraw/zinc/28/18/78/1072281878.db2.gz MYTKJJNCSBEXNV-VQIMIIECSA-N 1 1 431.585 0.698 20 0 ICADMO 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CCN(C[C@@H]1CCCO1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001547554003 1072304139 /nfs/dbraw/zinc/30/41/39/1072304139.db2.gz WMNDHRFESKTDRV-BXWFABGCSA-N 1 1 427.571 0.252 20 0 ICADMO CCN(C[C@@H]1CCCO1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001547554003 1072304136 /nfs/dbraw/zinc/30/41/36/1072304136.db2.gz WMNDHRFESKTDRV-BXWFABGCSA-N 1 1 427.571 0.252 20 0 ICADMO CCN(C[C@@H]1CCCO1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001547554004 1072304126 /nfs/dbraw/zinc/30/41/26/1072304126.db2.gz WMNDHRFESKTDRV-GJYPPUQNSA-N 1 1 427.571 0.252 20 0 ICADMO CCN(C[C@@H]1CCCO1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001547554004 1072304121 /nfs/dbraw/zinc/30/41/21/1072304121.db2.gz WMNDHRFESKTDRV-GJYPPUQNSA-N 1 1 427.571 0.252 20 0 ICADMO CCN(C[C@@H]1CCCO1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001547554005 1072304057 /nfs/dbraw/zinc/30/40/57/1072304057.db2.gz WMNDHRFESKTDRV-JTDSTZFVSA-N 1 1 427.571 0.252 20 0 ICADMO CCN(C[C@@H]1CCCO1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001547554005 1072304051 /nfs/dbraw/zinc/30/40/51/1072304051.db2.gz WMNDHRFESKTDRV-JTDSTZFVSA-N 1 1 427.571 0.252 20 0 ICADMO CCN(C[C@@H]1CCCO1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001547554006 1072303999 /nfs/dbraw/zinc/30/39/99/1072303999.db2.gz WMNDHRFESKTDRV-TXPKVOOTSA-N 1 1 427.571 0.252 20 0 ICADMO CCN(C[C@@H]1CCCO1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001547554006 1072303992 /nfs/dbraw/zinc/30/39/92/1072303992.db2.gz WMNDHRFESKTDRV-TXPKVOOTSA-N 1 1 427.571 0.252 20 0 ICADMO CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C ZINC001547577083 1072307062 /nfs/dbraw/zinc/30/70/62/1072307062.db2.gz RLCIAEQUVBRECH-UHFFFAOYSA-N 1 1 430.557 0.803 20 0 ICADMO CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnn(C)c2)CC1)C1CC1 ZINC001547577629 1072306980 /nfs/dbraw/zinc/30/69/80/1072306980.db2.gz LMFVMJNSEKSEFA-UHFFFAOYSA-N 1 1 429.573 0.961 20 0 ICADMO 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CC[N@@H+](CCn1c(C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C1CC1 ZINC001547579680 1072306943 /nfs/dbraw/zinc/30/69/43/1072306943.db2.gz XRHIBJPOGQVQPS-SFHVURJKSA-N 1 1 426.587 0.702 20 0 ICADMO CC[N@@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@H]2C1)C(C)C ZINC001547579908 1072306959 /nfs/dbraw/zinc/30/69/59/1072306959.db2.gz ONYZGKZBSGQAEB-CVEARBPZSA-N 1 1 441.602 0.430 20 0 ICADMO CC[N@@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@H]2C1)C(C)C ZINC001547579914 1072306912 /nfs/dbraw/zinc/30/69/12/1072306912.db2.gz ONYZGKZBSGQAEB-HOTGVXAUSA-N 1 1 441.602 0.430 20 0 ICADMO CC[N@@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1)C(C)C ZINC001547579916 1072307479 /nfs/dbraw/zinc/30/74/79/1072307479.db2.gz ONYZGKZBSGQAEB-HZPDHXFCSA-N 1 1 441.602 0.430 20 0 ICADMO CC[N@@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1)C(C)C ZINC001547579918 1072307373 /nfs/dbraw/zinc/30/73/73/1072307373.db2.gz ONYZGKZBSGQAEB-JKSUJKDBSA-N 1 1 441.602 0.430 20 0 ICADMO 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CC[N@@H+](CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)C(C)C ZINC001547584544 1072307414 /nfs/dbraw/zinc/30/74/14/1072307414.db2.gz APVNRUDUBVMCCS-UHFFFAOYSA-N 1 1 441.544 0.339 20 0 ICADMO CC[N@@H+](CCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N(C)C)CC1)C(C)C ZINC001547586141 1072307457 /nfs/dbraw/zinc/30/74/57/1072307457.db2.gz FOOAAAWHCIOBFC-UHFFFAOYSA-N 1 1 429.573 0.676 20 0 ICADMO CC[N@@H+](CCn1c(C2CCC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)C(C)C ZINC001547586919 1072307429 /nfs/dbraw/zinc/30/74/29/1072307429.db2.gz FFXWXDVBBIQIDT-UHFFFAOYSA-N 1 1 430.561 0.611 20 0 ICADMO CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC(C)C)CC1)C(C)C ZINC001547588624 1072307618 /nfs/dbraw/zinc/30/76/18/1072307618.db2.gz QXDOPFUCZAZGLH-GOSISDBHSA-N 1 1 448.616 0.606 20 0 ICADMO CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC(C)C)CC1)C(C)C ZINC001547588630 1072307602 /nfs/dbraw/zinc/30/76/02/1072307602.db2.gz QXDOPFUCZAZGLH-SFHVURJKSA-N 1 1 448.616 0.606 20 0 ICADMO CC[N@@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CC2)CC1)C(C)C ZINC001547590452 1072307523 /nfs/dbraw/zinc/30/75/23/1072307523.db2.gz NKBQANKMANKEPA-GOSISDBHSA-N 1 1 433.601 0.913 20 0 ICADMO CC[N@@H+](CCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CC2)CC1)C(C)C ZINC001547590453 1072307397 /nfs/dbraw/zinc/30/73/97/1072307397.db2.gz NKBQANKMANKEPA-SFHVURJKSA-N 1 1 433.601 0.913 20 0 ICADMO CC[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1)C(C)C ZINC001547590765 1072308239 /nfs/dbraw/zinc/30/82/39/1072308239.db2.gz UJWURECWBDKXBE-CVEARBPZSA-N 1 1 426.587 0.612 20 0 ICADMO CC[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1)C(C)C ZINC001547590766 1072308109 /nfs/dbraw/zinc/30/81/09/1072308109.db2.gz UJWURECWBDKXBE-HOTGVXAUSA-N 1 1 426.587 0.612 20 0 ICADMO CC[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1)C(C)C ZINC001547590767 1072307877 /nfs/dbraw/zinc/30/78/77/1072307877.db2.gz UJWURECWBDKXBE-HZPDHXFCSA-N 1 1 426.587 0.612 20 0 ICADMO CC[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1)C(C)C ZINC001547590768 1072308225 /nfs/dbraw/zinc/30/82/25/1072308225.db2.gz UJWURECWBDKXBE-JKSUJKDBSA-N 1 1 426.587 0.612 20 0 ICADMO CC[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](OC)[C@@H](OC)C1)C(C)C ZINC001547590788 1072308129 /nfs/dbraw/zinc/30/81/29/1072308129.db2.gz USQDKTZZYVGLMK-YESZJQIVSA-N 1 1 429.587 0.761 20 0 ICADMO CC[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](OC)[C@@H](OC)C1)C(C)C ZINC001547590789 1072307904 /nfs/dbraw/zinc/30/79/04/1072307904.db2.gz USQDKTZZYVGLMK-ZACQAIPSSA-N 1 1 429.587 0.761 20 0 ICADMO CC[N@@H+](CCn1c(CC(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)C(C)C ZINC001547593821 1072308160 /nfs/dbraw/zinc/30/81/60/1072308160.db2.gz QQPHHHCMBRFZKM-UHFFFAOYSA-N 1 1 432.577 0.542 20 0 ICADMO CC[N@@H+](CCn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1)C(C)C ZINC001547594855 1072308175 /nfs/dbraw/zinc/30/81/75/1072308175.db2.gz VIDLHTYFPBXNRC-UHFFFAOYSA-N 1 1 431.585 0.888 20 0 ICADMO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)C1CC1 ZINC001547595090 1072308213 /nfs/dbraw/zinc/30/82/13/1072308213.db2.gz BSNFXDQWZYHZQL-NVXWUHKLSA-N 1 1 434.541 0.245 20 0 ICADMO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](CNC(C)=O)C1)C(C)C ZINC001547596002 1072307993 /nfs/dbraw/zinc/30/79/93/1072307993.db2.gz SYTKIFISSHIVOG-GOSISDBHSA-N 1 1 435.573 0.472 20 0 ICADMO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](CNC(C)=O)C1)C(C)C ZINC001547596004 1072308194 /nfs/dbraw/zinc/30/81/94/1072308194.db2.gz SYTKIFISSHIVOG-SFHVURJKSA-N 1 1 435.573 0.472 20 0 ICADMO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CCN(C)C(=O)C1)CCC(F)(F)F ZINC001547596298 1072308038 /nfs/dbraw/zinc/30/80/38/1072308038.db2.gz XBBMXTOGOUWXDR-UHFFFAOYSA-N 1 1 445.490 0.953 20 0 ICADMO CC[N@@H+](CCn1c(Nc2ccn(C)n2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1)C(C)C ZINC001547596940 1072307929 /nfs/dbraw/zinc/30/79/29/1072307929.db2.gz AUTVRMFWJJACJR-HNNXBMFYSA-N 1 1 440.574 0.818 20 0 ICADMO CC[N@@H+](CCn1c(Nc2ccn(C)n2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1)C(C)C ZINC001547596943 1072308013 /nfs/dbraw/zinc/30/80/13/1072308013.db2.gz AUTVRMFWJJACJR-OAHLLOKOSA-N 1 1 440.574 0.818 20 0 ICADMO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001547599485 1072308692 /nfs/dbraw/zinc/30/86/92/1072308692.db2.gz HNCUVLHDUOCYGJ-FQEVSTJZSA-N 1 1 437.566 0.891 20 0 ICADMO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001547599486 1072308741 /nfs/dbraw/zinc/30/87/41/1072308741.db2.gz HNCUVLHDUOCYGJ-HXUWFJFHSA-N 1 1 437.566 0.891 20 0 ICADMO CCN1C(=O)[C@H]2CN(c3nnc(C)n3CC3CCN(CC[NH+](C)C)CC3)CCN2C1=O ZINC001547603923 1072310578 /nfs/dbraw/zinc/31/05/78/1072310578.db2.gz CGJSUIVUMXCQRO-GOSISDBHSA-N 1 1 432.573 0.333 20 0 ICADMO CCN1C(=O)[C@@H]2CN(c3nnc(C)n3CC3CCN(CC[NH+](C)C)CC3)CCN2C1=O ZINC001547603924 1072310509 /nfs/dbraw/zinc/31/05/09/1072310509.db2.gz CGJSUIVUMXCQRO-SFHVURJKSA-N 1 1 432.573 0.333 20 0 ICADMO CCn1cc(CN(C)c2nnc(-c3cnccn3)n2CC[NH+]2CCN(C(C)=O)CC2)cn1 ZINC001547616256 1072314228 /nfs/dbraw/zinc/31/42/28/1072314228.db2.gz SEMGXHMIJHBICK-UHFFFAOYSA-N 1 1 438.540 0.752 20 0 ICADMO CCn1cnnc1Cn1c(C(=O)NC(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001547626963 1072316417 /nfs/dbraw/zinc/31/64/17/1072316417.db2.gz ISNGEGRTMVXMOI-MRXNPFEDSA-N 1 1 445.572 0.766 20 0 ICADMO CCn1cnnc1Cn1c(C(=O)NC(C)C)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001547627186 1072316917 /nfs/dbraw/zinc/31/69/17/1072316917.db2.gz QNMOXDZTOXCOJP-IYBDPMFKSA-N 1 1 433.561 0.621 20 0 ICADMO CCn1cnnc1Cn1c(C(=O)NC(C)C)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001547627186 1072316909 /nfs/dbraw/zinc/31/69/09/1072316909.db2.gz QNMOXDZTOXCOJP-IYBDPMFKSA-N 1 1 433.561 0.621 20 0 ICADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cn(C3COC3)nn2)C[C@H]1C ZINC001547631838 1072318743 /nfs/dbraw/zinc/31/87/43/1072318743.db2.gz ABZUCRARUZYUCW-HUUCEWRRSA-N 1 1 431.545 0.546 20 0 ICADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cn(C3COC3)nn2)C[C@@H]1C ZINC001547631839 1072318539 /nfs/dbraw/zinc/31/85/39/1072318539.db2.gz ABZUCRARUZYUCW-LSDHHAIUSA-N 1 1 431.545 0.546 20 0 ICADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CC(=O)N2CCOCC2)C[C@@H]1C ZINC001547632454 1072318804 /nfs/dbraw/zinc/31/88/04/1072318804.db2.gz FIXMFMYNOOTHLL-DLBZAZTESA-N 1 1 433.557 0.292 20 0 ICADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CC(=O)N2CCOCC2)C[C@H]1C ZINC001547632455 1072318645 /nfs/dbraw/zinc/31/86/45/1072318645.db2.gz FIXMFMYNOOTHLL-IAGOWNOFSA-N 1 1 433.557 0.292 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CC(=O)N2CCOCC2)C[C@@H]1C ZINC001547632456 1072318567 /nfs/dbraw/zinc/31/85/67/1072318567.db2.gz FIXMFMYNOOTHLL-IRXDYDNUSA-N 1 1 433.557 0.292 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CC(=O)N2CCOCC2)C[C@H]1C ZINC001547632457 1072318681 /nfs/dbraw/zinc/31/86/81/1072318681.db2.gz FIXMFMYNOOTHLL-SJORKVTESA-N 1 1 433.557 0.292 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCO[C@@H]2C)C[C@H]1C ZINC001547634498 1072319356 /nfs/dbraw/zinc/31/93/56/1072319356.db2.gz GOMIBMWCMXTOEY-LAIHZFQQSA-N 1 1 444.602 0.347 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCO[C@H]2C)C[C@@H]1C ZINC001547634499 1072319091 /nfs/dbraw/zinc/31/90/91/1072319091.db2.gz GOMIBMWCMXTOEY-SIBFUHKCSA-N 1 1 444.602 0.347 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCO[C@@H]2C)C[C@@H]1C ZINC001547634500 1072319040 /nfs/dbraw/zinc/31/90/40/1072319040.db2.gz GOMIBMWCMXTOEY-XHWCBRGXSA-N 1 1 444.602 0.347 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCO[C@H]2C)C[C@H]1C ZINC001547634501 1072319407 /nfs/dbraw/zinc/31/94/07/1072319407.db2.gz GOMIBMWCMXTOEY-XZLOLGPPSA-N 1 1 444.602 0.347 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@](C)=O)CC2)C[C@@H]1C ZINC001547636092 1072319189 /nfs/dbraw/zinc/31/91/89/1072319189.db2.gz SMEIFNMCBIZQJS-BRJAGZCNSA-N 1 1 446.643 0.718 20 0 ICADMO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@](C)=O)CC2)C[C@@H]1C ZINC001547636092 1072319175 /nfs/dbraw/zinc/31/91/75/1072319175.db2.gz SMEIFNMCBIZQJS-BRJAGZCNSA-N 1 1 446.643 0.718 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@@](C)=O)CC2)C[C@H]1C ZINC001547636095 1072319268 /nfs/dbraw/zinc/31/92/68/1072319268.db2.gz SMEIFNMCBIZQJS-GODCIGNGSA-N 1 1 446.643 0.718 20 0 ICADMO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@@](C)=O)CC2)C[C@H]1C ZINC001547636095 1072319255 /nfs/dbraw/zinc/31/92/55/1072319255.db2.gz SMEIFNMCBIZQJS-GODCIGNGSA-N 1 1 446.643 0.718 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@](C)=O)CC2)C[C@H]1C ZINC001547636097 1072319347 /nfs/dbraw/zinc/31/93/47/1072319347.db2.gz SMEIFNMCBIZQJS-IRTSYGHZSA-N 1 1 446.643 0.718 20 0 ICADMO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@](C)=O)CC2)C[C@H]1C ZINC001547636097 1072319334 /nfs/dbraw/zinc/31/93/34/1072319334.db2.gz SMEIFNMCBIZQJS-IRTSYGHZSA-N 1 1 446.643 0.718 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@@](C)=O)CC2)C[C@@H]1C ZINC001547636098 1072319229 /nfs/dbraw/zinc/31/92/29/1072319229.db2.gz SMEIFNMCBIZQJS-VSGQTLMKSA-N 1 1 446.643 0.718 20 0 ICADMO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@@](C)=O)CC2)C[C@@H]1C ZINC001547636098 1072319216 /nfs/dbraw/zinc/31/92/16/1072319216.db2.gz SMEIFNMCBIZQJS-VSGQTLMKSA-N 1 1 446.643 0.718 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@H](CO)O2)C[C@H]1C ZINC001547636974 1072319539 /nfs/dbraw/zinc/31/95/39/1072319539.db2.gz XHOQMAOUGROWAS-BPKGMFCQSA-N 1 1 444.602 0.347 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@H](CO)O2)C[C@H]1C ZINC001547636977 1072319451 /nfs/dbraw/zinc/31/94/51/1072319451.db2.gz XHOQMAOUGROWAS-JSRQGNBESA-N 1 1 444.602 0.347 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@H](CO)O2)C[C@@H]1C ZINC001547636979 1072319476 /nfs/dbraw/zinc/31/94/76/1072319476.db2.gz XHOQMAOUGROWAS-QUSNUVHPSA-N 1 1 444.602 0.347 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@H](CO)O2)C[C@@H]1C ZINC001547636982 1072319143 /nfs/dbraw/zinc/31/91/43/1072319143.db2.gz XHOQMAOUGROWAS-ZOFXXKQRSA-N 1 1 444.602 0.347 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001547640170 1072319386 /nfs/dbraw/zinc/31/93/86/1072319386.db2.gz HJESWVYYGZKJRQ-FTRWYGJKSA-N 1 1 434.566 0.809 20 0 ICADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001547640170 1072319379 /nfs/dbraw/zinc/31/93/79/1072319379.db2.gz HJESWVYYGZKJRQ-FTRWYGJKSA-N 1 1 434.566 0.809 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001547640171 1072319068 /nfs/dbraw/zinc/31/90/68/1072319068.db2.gz HJESWVYYGZKJRQ-GQIGUUNPSA-N 1 1 434.566 0.809 20 0 ICADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001547640171 1072319063 /nfs/dbraw/zinc/31/90/63/1072319063.db2.gz HJESWVYYGZKJRQ-GQIGUUNPSA-N 1 1 434.566 0.809 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001547640172 1072319123 /nfs/dbraw/zinc/31/91/23/1072319123.db2.gz HJESWVYYGZKJRQ-GUXCAODWSA-N 1 1 434.566 0.809 20 0 ICADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001547640172 1072319115 /nfs/dbraw/zinc/31/91/15/1072319115.db2.gz HJESWVYYGZKJRQ-GUXCAODWSA-N 1 1 434.566 0.809 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001547640173 1072319523 /nfs/dbraw/zinc/31/95/23/1072319523.db2.gz HJESWVYYGZKJRQ-TWOQFEAHSA-N 1 1 434.566 0.809 20 0 ICADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001547640173 1072319511 /nfs/dbraw/zinc/31/95/11/1072319511.db2.gz HJESWVYYGZKJRQ-TWOQFEAHSA-N 1 1 434.566 0.809 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001547642227 1072319314 /nfs/dbraw/zinc/31/93/14/1072319314.db2.gz QSHNQKQAYPMLGN-DOXZYTNZSA-N 1 1 437.570 0.147 20 0 ICADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001547642227 1072319305 /nfs/dbraw/zinc/31/93/05/1072319305.db2.gz QSHNQKQAYPMLGN-DOXZYTNZSA-N 1 1 437.570 0.147 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001547642231 1072319436 /nfs/dbraw/zinc/31/94/36/1072319436.db2.gz QSHNQKQAYPMLGN-VCBZYWHSSA-N 1 1 437.570 0.147 20 0 ICADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001547642231 1072319429 /nfs/dbraw/zinc/31/94/29/1072319429.db2.gz QSHNQKQAYPMLGN-VCBZYWHSSA-N 1 1 437.570 0.147 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001547642234 1072320032 /nfs/dbraw/zinc/32/00/32/1072320032.db2.gz QSHNQKQAYPMLGN-YZVOILCLSA-N 1 1 437.570 0.147 20 0 ICADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001547642234 1072320024 /nfs/dbraw/zinc/32/00/24/1072320024.db2.gz QSHNQKQAYPMLGN-YZVOILCLSA-N 1 1 437.570 0.147 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001547642237 1072320189 /nfs/dbraw/zinc/32/01/89/1072320189.db2.gz QSHNQKQAYPMLGN-ZRGWGRIASA-N 1 1 437.570 0.147 20 0 ICADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001547642237 1072320181 /nfs/dbraw/zinc/32/01/81/1072320181.db2.gz QSHNQKQAYPMLGN-ZRGWGRIASA-N 1 1 437.570 0.147 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCNS(=O)(=O)CC)C[C@H]1C ZINC001547642555 1072320221 /nfs/dbraw/zinc/32/02/21/1072320221.db2.gz SGYVNMRCMMCCGN-CVEARBPZSA-N 1 1 438.602 0.927 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCNS(=O)(=O)CC)C[C@@H]1C ZINC001547642556 1072320139 /nfs/dbraw/zinc/32/01/39/1072320139.db2.gz SGYVNMRCMMCCGN-HOTGVXAUSA-N 1 1 438.602 0.927 20 0 ICADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCNS(=O)(=O)CC)C[C@H]1C ZINC001547642557 1072319826 /nfs/dbraw/zinc/31/98/26/1072319826.db2.gz SGYVNMRCMMCCGN-HZPDHXFCSA-N 1 1 438.602 0.927 20 0 ICADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCNS(=O)(=O)CC)C[C@@H]1C ZINC001547642558 1072320204 /nfs/dbraw/zinc/32/02/04/1072320204.db2.gz SGYVNMRCMMCCGN-JKSUJKDBSA-N 1 1 438.602 0.927 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(=O)(=O)CC)C[C@H]1C ZINC001547643962 1072320158 /nfs/dbraw/zinc/32/01/58/1072320158.db2.gz BCGPEHHBHLWAGL-ILXRZTDVSA-N 1 1 427.575 0.087 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(=O)(=O)CC)C[C@@H]1C ZINC001547643963 1072319840 /nfs/dbraw/zinc/31/98/40/1072319840.db2.gz BCGPEHHBHLWAGL-KKUMJFAQSA-N 1 1 427.575 0.087 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCNS(=O)(=O)CC)C[C@H]1C ZINC001547643964 1072319862 /nfs/dbraw/zinc/31/98/62/1072319862.db2.gz 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CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1nc(CCOC)no1 ZINC001547677121 1072324773 /nfs/dbraw/zinc/32/47/73/1072324773.db2.gz SRGQJONXBJBGHU-GJZGRUSLSA-N 1 1 432.529 0.922 20 0 ICADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc(CCOC)no1 ZINC001547677122 1072324652 /nfs/dbraw/zinc/32/46/52/1072324652.db2.gz SRGQJONXBJBGHU-HUUCEWRRSA-N 1 1 432.529 0.922 20 0 ICADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc(CCOC)no1 ZINC001547677123 1072324817 /nfs/dbraw/zinc/32/48/17/1072324817.db2.gz SRGQJONXBJBGHU-LSDHHAIUSA-N 1 1 432.529 0.922 20 0 ICADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001547677242 1072325466 /nfs/dbraw/zinc/32/54/66/1072325466.db2.gz VCYWUBAAXILLBH-ARFHVFGLSA-N 1 1 425.555 0.664 20 0 ICADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001547677243 1072325672 /nfs/dbraw/zinc/32/56/72/1072325672.db2.gz VCYWUBAAXILLBH-BZUAXINKSA-N 1 1 425.555 0.664 20 0 ICADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001547677244 1072325685 /nfs/dbraw/zinc/32/56/85/1072325685.db2.gz VCYWUBAAXILLBH-HRCADAONSA-N 1 1 425.555 0.664 20 0 ICADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001547677245 1072325373 /nfs/dbraw/zinc/32/53/73/1072325373.db2.gz VCYWUBAAXILLBH-OWCLPIDISA-N 1 1 425.555 0.664 20 0 ICADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001547678228 1072325610 /nfs/dbraw/zinc/32/56/10/1072325610.db2.gz CTRKJGYYUWBGME-MOPGFXCFSA-N 1 1 447.584 0.730 20 0 ICADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001547678231 1072325558 /nfs/dbraw/zinc/32/55/58/1072325558.db2.gz CTRKJGYYUWBGME-OALUTQOASA-N 1 1 447.584 0.730 20 0 ICADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001547678233 1072325426 /nfs/dbraw/zinc/32/54/26/1072325426.db2.gz CTRKJGYYUWBGME-RBUKOAKNSA-N 1 1 447.584 0.730 20 0 ICADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001547678235 1072325651 /nfs/dbraw/zinc/32/56/51/1072325651.db2.gz CTRKJGYYUWBGME-RTBURBONSA-N 1 1 447.584 0.730 20 0 ICADMO CC[N@H+]1CCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)N1CCOCC1 ZINC001547679278 1072325324 /nfs/dbraw/zinc/32/53/24/1072325324.db2.gz MCOSBZBGEJSXID-IBGZPJMESA-N 1 1 444.584 0.919 20 0 ICADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)N1CCOCC1 ZINC001547679284 1072325503 /nfs/dbraw/zinc/32/55/03/1072325503.db2.gz MCOSBZBGEJSXID-LJQANCHMSA-N 1 1 444.584 0.919 20 0 ICADMO CC[N@H+]1CCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001547679396 1072325262 /nfs/dbraw/zinc/32/52/62/1072325262.db2.gz NASDFGQVQGXGMV-FQEVSTJZSA-N 1 1 440.596 0.958 20 0 ICADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001547679397 1072325637 /nfs/dbraw/zinc/32/56/37/1072325637.db2.gz NASDFGQVQGXGMV-HXUWFJFHSA-N 1 1 440.596 0.958 20 0 ICADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)C1 ZINC001547682964 1072325401 /nfs/dbraw/zinc/32/54/01/1072325401.db2.gz VSNNFQXTJODLOG-CABCVRRESA-N 1 1 427.575 0.041 20 0 ICADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)C1 ZINC001547682965 1072325696 /nfs/dbraw/zinc/32/56/96/1072325696.db2.gz VSNNFQXTJODLOG-GJZGRUSLSA-N 1 1 427.575 0.041 20 0 ICADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)C1 ZINC001547682966 1072325588 /nfs/dbraw/zinc/32/55/88/1072325588.db2.gz VSNNFQXTJODLOG-HUUCEWRRSA-N 1 1 427.575 0.041 20 0 ICADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)C1 ZINC001547682967 1072325306 /nfs/dbraw/zinc/32/53/06/1072325306.db2.gz VSNNFQXTJODLOG-LSDHHAIUSA-N 1 1 427.575 0.041 20 0 ICADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001547684640 1072325284 /nfs/dbraw/zinc/32/52/84/1072325284.db2.gz BPKNHUWDCONDAQ-KRWDZBQOSA-N 1 1 436.586 0.635 20 0 ICADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001547684641 1072325538 /nfs/dbraw/zinc/32/55/38/1072325538.db2.gz BPKNHUWDCONDAQ-QGZVFWFLSA-N 1 1 436.586 0.635 20 0 ICADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001547684804 1072325355 /nfs/dbraw/zinc/32/53/55/1072325355.db2.gz FWQRLUCZGPOBGE-BPQIPLTHSA-N 1 1 431.541 0.913 20 0 ICADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001547684805 1072325706 /nfs/dbraw/zinc/32/57/06/1072325706.db2.gz FWQRLUCZGPOBGE-KBAYOESNSA-N 1 1 431.541 0.913 20 0 ICADMO CC[N@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(OCC(N)=O)CC1 ZINC001547685298 1072326082 /nfs/dbraw/zinc/32/60/82/1072326082.db2.gz FGGMGJZHEPUDNY-KRWDZBQOSA-N 1 1 447.584 0.746 20 0 ICADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(OCC(N)=O)CC1 ZINC001547685299 1072325925 /nfs/dbraw/zinc/32/59/25/1072325925.db2.gz FGGMGJZHEPUDNY-QGZVFWFLSA-N 1 1 447.584 0.746 20 0 ICADMO 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CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001547688411 1072326103 /nfs/dbraw/zinc/32/61/03/1072326103.db2.gz SUTRDBHPAKMAFP-YESZJQIVSA-N 1 1 438.598 0.722 20 0 ICADMO CCN1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCc3[nH+]ccn3C2)CC1=O ZINC001547688810 1072326091 /nfs/dbraw/zinc/32/60/91/1072326091.db2.gz AOXDGNVKFJWJML-INIZCTEOSA-N 1 1 428.541 0.934 20 0 ICADMO CCN1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCc3[nH+]ccn3C2)CC1=O ZINC001547688811 1072326020 /nfs/dbraw/zinc/32/60/20/1072326020.db2.gz AOXDGNVKFJWJML-MRXNPFEDSA-N 1 1 428.541 0.934 20 0 ICADMO CCN1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCCC2)CC1=O ZINC001547694010 1072327022 /nfs/dbraw/zinc/32/70/22/1072327022.db2.gz FHRGKUCNUFFCEL-KRWDZBQOSA-N 1 1 438.598 0.725 20 0 ICADMO CCN1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCCC2)CC1=O ZINC001547694011 1072326861 /nfs/dbraw/zinc/32/68/61/1072326861.db2.gz FHRGKUCNUFFCEL-QGZVFWFLSA-N 1 1 438.598 0.725 20 0 ICADMO CCN1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+](CC)C(C)C)CC1=O ZINC001547694145 1072327068 /nfs/dbraw/zinc/32/70/68/1072327068.db2.gz JNTPFDJPKDYLNJ-KRWDZBQOSA-N 1 1 440.614 0.969 20 0 ICADMO CCN1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+](CC)C(C)C)CC1=O ZINC001547694146 1072326991 /nfs/dbraw/zinc/32/69/91/1072326991.db2.gz JNTPFDJPKDYLNJ-QGZVFWFLSA-N 1 1 440.614 0.969 20 0 ICADMO CCN1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1=O ZINC001547696838 1072328389 /nfs/dbraw/zinc/32/83/89/1072328389.db2.gz YAAYFGDHVCAVOT-MSOLQXFVSA-N 1 1 447.584 0.525 20 0 ICADMO CCN1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1=O ZINC001547696840 1072328469 /nfs/dbraw/zinc/32/84/69/1072328469.db2.gz YAAYFGDHVCAVOT-QZTJIDSGSA-N 1 1 447.584 0.525 20 0 ICADMO CCN1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1=O ZINC001547696842 1072328310 /nfs/dbraw/zinc/32/83/10/1072328310.db2.gz YAAYFGDHVCAVOT-ROUUACIJSA-N 1 1 447.584 0.525 20 0 ICADMO CCN1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1=O ZINC001547696843 1072328532 /nfs/dbraw/zinc/32/85/32/1072328532.db2.gz YAAYFGDHVCAVOT-ZWKOTPCHSA-N 1 1 447.584 0.525 20 0 ICADMO CCN1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCC[NH+]2CCOCC2)CC1=O ZINC001547697126 1072328270 /nfs/dbraw/zinc/32/82/70/1072328270.db2.gz DOQJGQRLAAWVFT-UHFFFAOYSA-N 1 1 444.584 0.921 20 0 ICADMO CCN1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+](C)CCOC)CC1=O ZINC001547697173 1072328328 /nfs/dbraw/zinc/32/83/28/1072328328.db2.gz DXXINJWBXNJWPW-UHFFFAOYSA-N 1 1 432.573 0.777 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001547699472 1072329125 /nfs/dbraw/zinc/32/91/25/1072329125.db2.gz ATZVWUMAVZSYLM-IBGZPJMESA-N 1 1 443.600 0.530 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnccn3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001547699473 1072328915 /nfs/dbraw/zinc/32/89/15/1072328915.db2.gz ATZVWUMAVZSYLM-LJQANCHMSA-N 1 1 443.600 0.530 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(C3CC3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001547699474 1072328789 /nfs/dbraw/zinc/32/87/89/1072328789.db2.gz AUEDKAZTFIRMQD-KRWDZBQOSA-N 1 1 439.630 0.653 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(C3CC3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001547699475 1072329202 /nfs/dbraw/zinc/32/92/02/1072329202.db2.gz AUEDKAZTFIRMQD-QGZVFWFLSA-N 1 1 439.630 0.653 20 0 ICADMO CCN(C1CCN(c2nnc(C)n2C[C@H](C)[NH+]2CCN(CC)CC2)CC1)S(C)(=O)=O ZINC001547699644 1072329022 /nfs/dbraw/zinc/32/90/22/1072329022.db2.gz IBGSEKMWKGFZHR-KRWDZBQOSA-N 1 1 441.646 0.863 20 0 ICADMO CCN(C1CCN(c2nnc(C)n2C[C@@H](C)[NH+]2CCN(CC)CC2)CC1)S(C)(=O)=O ZINC001547699650 1072329180 /nfs/dbraw/zinc/32/91/80/1072329180.db2.gz IBGSEKMWKGFZHR-QGZVFWFLSA-N 1 1 441.646 0.863 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001547700306 1072328955 /nfs/dbraw/zinc/32/89/55/1072328955.db2.gz FHHURCGEXSGPFU-AEFFLSMTSA-N 1 1 446.600 0.347 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001547700307 1072329634 /nfs/dbraw/zinc/32/96/34/1072329634.db2.gz FHHURCGEXSGPFU-FUHWJXTLSA-N 1 1 446.600 0.347 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001547700308 1072329694 /nfs/dbraw/zinc/32/96/94/1072329694.db2.gz FHHURCGEXSGPFU-SJLPKXTDSA-N 1 1 446.600 0.347 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001547700309 1072329522 /nfs/dbraw/zinc/32/95/22/1072329522.db2.gz FHHURCGEXSGPFU-WMZOPIPTSA-N 1 1 446.600 0.347 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C)C2)CC1 ZINC001547700757 1072329485 /nfs/dbraw/zinc/32/94/85/1072329485.db2.gz PARPUACBUMHXHL-BBWFWOEESA-N 1 1 427.619 0.761 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C)C2)CC1 ZINC001547700760 1072329800 /nfs/dbraw/zinc/32/98/00/1072329800.db2.gz PARPUACBUMHXHL-BRWVUGGUSA-N 1 1 427.619 0.761 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C)C2)CC1 ZINC001547700762 1072329592 /nfs/dbraw/zinc/32/95/92/1072329592.db2.gz PARPUACBUMHXHL-GVDBMIGSSA-N 1 1 427.619 0.761 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C)C2)CC1 ZINC001547700764 1072329774 /nfs/dbraw/zinc/32/97/74/1072329774.db2.gz PARPUACBUMHXHL-ZACQAIPSSA-N 1 1 427.619 0.761 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001547700924 1072329661 /nfs/dbraw/zinc/32/96/61/1072329661.db2.gz ILZOQSYERAAVSA-KRWDZBQOSA-N 1 1 442.572 0.223 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001547700930 1072329745 /nfs/dbraw/zinc/32/97/45/1072329745.db2.gz ILZOQSYERAAVSA-QGZVFWFLSA-N 1 1 442.572 0.223 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCNC(=O)C2)CC1 ZINC001547701039 1072329710 /nfs/dbraw/zinc/32/97/10/1072329710.db2.gz MMNSQQZZVNKOPE-HNNXBMFYSA-N 1 1 432.960 0.956 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCNC(=O)C2)CC1 ZINC001547701042 1072329609 /nfs/dbraw/zinc/32/96/09/1072329609.db2.gz MMNSQQZZVNKOPE-OAHLLOKOSA-N 1 1 432.960 0.956 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001547701159 1072329827 /nfs/dbraw/zinc/32/98/27/1072329827.db2.gz JMYGPAWENPNYRL-DLBZAZTESA-N 1 1 431.589 0.523 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001547701161 1072329868 /nfs/dbraw/zinc/32/98/68/1072329868.db2.gz JMYGPAWENPNYRL-IAGOWNOFSA-N 1 1 431.589 0.523 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001547701163 1072329554 /nfs/dbraw/zinc/32/95/54/1072329554.db2.gz JMYGPAWENPNYRL-IRXDYDNUSA-N 1 1 431.589 0.523 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001547701164 1072329571 /nfs/dbraw/zinc/32/95/71/1072329571.db2.gz JMYGPAWENPNYRL-SJORKVTESA-N 1 1 431.589 0.523 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(C3CCC3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001547701842 1072330478 /nfs/dbraw/zinc/33/04/78/1072330478.db2.gz MDWGPWQLHAIQGW-GOSISDBHSA-N 1 1 433.601 0.867 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(C3CCC3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001547701843 1072330591 /nfs/dbraw/zinc/33/05/91/1072330591.db2.gz MDWGPWQLHAIQGW-SFHVURJKSA-N 1 1 433.601 0.867 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001547702244 1072330575 /nfs/dbraw/zinc/33/05/75/1072330575.db2.gz NWHKXGXSXXCGAK-KRWDZBQOSA-N 1 1 443.600 0.796 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001547702245 1072330441 /nfs/dbraw/zinc/33/04/41/1072330441.db2.gz NWHKXGXSXXCGAK-QGZVFWFLSA-N 1 1 443.600 0.796 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001547702297 1072330145 /nfs/dbraw/zinc/33/01/45/1072330145.db2.gz OKJYSMSXZPZNEZ-DLBZAZTESA-N 1 1 427.557 0.428 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnccn3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001547702301 1072330617 /nfs/dbraw/zinc/33/06/17/1072330617.db2.gz OKJYSMSXZPZNEZ-IAGOWNOFSA-N 1 1 427.557 0.428 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001547702303 1072330120 /nfs/dbraw/zinc/33/01/20/1072330120.db2.gz OKJYSMSXZPZNEZ-IRXDYDNUSA-N 1 1 427.557 0.428 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnccn3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001547702305 1072330531 /nfs/dbraw/zinc/33/05/31/1072330531.db2.gz OKJYSMSXZPZNEZ-SJORKVTESA-N 1 1 427.557 0.428 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001547702790 1072330660 /nfs/dbraw/zinc/33/06/60/1072330660.db2.gz SDLVARSYXGBKKU-HKUYNNGSSA-N 1 1 441.584 0.866 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001547702791 1072330405 /nfs/dbraw/zinc/33/04/05/1072330405.db2.gz SDLVARSYXGBKKU-IEBWSBKVSA-N 1 1 441.584 0.866 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001547702792 1072330181 /nfs/dbraw/zinc/33/01/81/1072330181.db2.gz SDLVARSYXGBKKU-MJGOQNOKSA-N 1 1 441.584 0.866 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001547702793 1072330555 /nfs/dbraw/zinc/33/05/55/1072330555.db2.gz SDLVARSYXGBKKU-PKOBYXMFSA-N 1 1 441.584 0.866 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](COC)C2)CC1 ZINC001547703068 1072330509 /nfs/dbraw/zinc/33/05/09/1072330509.db2.gz XSINXTYZOSWLJN-FGTMMUONSA-N 1 1 435.573 0.107 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](COC)C2)CC1 ZINC001547703069 1072330375 /nfs/dbraw/zinc/33/03/75/1072330375.db2.gz XSINXTYZOSWLJN-KURKYZTESA-N 1 1 435.573 0.107 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](COC)C2)CC1 ZINC001547703070 1072330315 /nfs/dbraw/zinc/33/03/15/1072330315.db2.gz XSINXTYZOSWLJN-KZNAEPCWSA-N 1 1 435.573 0.107 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](COC)C2)CC1 ZINC001547703071 1072331356 /nfs/dbraw/zinc/33/13/56/1072331356.db2.gz XSINXTYZOSWLJN-SQNIBIBYSA-N 1 1 435.573 0.107 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)C)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001547703264 1072331001 /nfs/dbraw/zinc/33/10/01/1072331001.db2.gz BWEVYCIMVSWWQQ-IBGZPJMESA-N 1 1 435.617 0.798 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)C)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001547703265 1072331340 /nfs/dbraw/zinc/33/13/40/1072331340.db2.gz BWEVYCIMVSWWQQ-LJQANCHMSA-N 1 1 435.617 0.798 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001547703786 1072331145 /nfs/dbraw/zinc/33/11/45/1072331145.db2.gz JNYLYYKVJDTUOV-HKUYNNGSSA-N 1 1 433.601 0.913 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001547703787 1072331404 /nfs/dbraw/zinc/33/14/04/1072331404.db2.gz JNYLYYKVJDTUOV-IEBWSBKVSA-N 1 1 433.601 0.913 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001547703788 1072331116 /nfs/dbraw/zinc/33/11/16/1072331116.db2.gz JNYLYYKVJDTUOV-MJGOQNOKSA-N 1 1 433.601 0.913 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001547703789 1072331262 /nfs/dbraw/zinc/33/12/62/1072331262.db2.gz JNYLYYKVJDTUOV-PKOBYXMFSA-N 1 1 433.601 0.913 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)CCn2cccn2)CC1 ZINC001547703884 1072331226 /nfs/dbraw/zinc/33/12/26/1072331226.db2.gz CGUOCHPBAHUEOA-IBGZPJMESA-N 1 1 443.600 0.759 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)CCn2cccn2)CC1 ZINC001547703886 1072331288 /nfs/dbraw/zinc/33/12/88/1072331288.db2.gz CGUOCHPBAHUEOA-LJQANCHMSA-N 1 1 443.600 0.759 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547703889 1072331191 /nfs/dbraw/zinc/33/11/91/1072331191.db2.gz KMAGOMGGTKATJR-GOSISDBHSA-N 1 1 426.569 0.568 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547703890 1072331168 /nfs/dbraw/zinc/33/11/68/1072331168.db2.gz KMAGOMGGTKATJR-SFHVURJKSA-N 1 1 426.569 0.568 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC3CC3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001547703960 1072331212 /nfs/dbraw/zinc/33/12/12/1072331212.db2.gz DIBNKPNICXRWTH-KRWDZBQOSA-N 1 1 439.630 0.338 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(CC3CC3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001547703961 1072331371 /nfs/dbraw/zinc/33/13/71/1072331371.db2.gz DIBNKPNICXRWTH-QGZVFWFLSA-N 1 1 439.630 0.338 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001547704670 1072331242 /nfs/dbraw/zinc/33/12/42/1072331242.db2.gz LOMKHJZXBMTFGT-GOSISDBHSA-N 1 1 443.600 0.796 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001547704671 1072331077 /nfs/dbraw/zinc/33/10/77/1072331077.db2.gz LOMKHJZXBMTFGT-SFHVURJKSA-N 1 1 443.600 0.796 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001547704896 1072331308 /nfs/dbraw/zinc/33/13/08/1072331308.db2.gz SOPMUQUTBZKMAS-FDDCHVKYSA-N 1 1 440.596 0.992 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccn3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001547704897 1072331042 /nfs/dbraw/zinc/33/10/42/1072331042.db2.gz SOPMUQUTBZKMAS-JPYJTQIMSA-N 1 1 440.596 0.992 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001547704898 1072331387 /nfs/dbraw/zinc/33/13/87/1072331387.db2.gz SOPMUQUTBZKMAS-MBSDFSHPSA-N 1 1 440.596 0.992 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccn3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001547704899 1072332040 /nfs/dbraw/zinc/33/20/40/1072332040.db2.gz SOPMUQUTBZKMAS-WZONZLPQSA-N 1 1 440.596 0.992 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547704904 1072331882 /nfs/dbraw/zinc/33/18/82/1072331882.db2.gz SOWPQHMPGVNYOR-INIZCTEOSA-N 1 1 446.625 0.938 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547704905 1072331664 /nfs/dbraw/zinc/33/16/64/1072331664.db2.gz SOWPQHMPGVNYOR-MRXNPFEDSA-N 1 1 446.625 0.938 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001547704960 1072331865 /nfs/dbraw/zinc/33/18/65/1072331865.db2.gz UGRBOABMWFSBPR-HOJAQTOUSA-N 1 1 449.600 0.149 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001547704961 1072331728 /nfs/dbraw/zinc/33/17/28/1072331728.db2.gz UGRBOABMWFSBPR-MISYRCLQSA-N 1 1 449.600 0.149 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001547704962 1072331823 /nfs/dbraw/zinc/33/18/23/1072331823.db2.gz UGRBOABMWFSBPR-RLLQIKCJSA-N 1 1 449.600 0.149 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001547704963 1072331973 /nfs/dbraw/zinc/33/19/73/1072331973.db2.gz UGRBOABMWFSBPR-YZGWKJHDSA-N 1 1 449.600 0.149 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(N3CCN(S(C)(=O)=O)CC3)nnc2C(C)(C)C)CC1 ZINC001547705010 1072332165 /nfs/dbraw/zinc/33/21/65/1072332165.db2.gz NUPRGVXWKROWCG-KRWDZBQOSA-N 1 1 441.646 0.683 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(N3CCN(S(C)(=O)=O)CC3)nnc2C(C)(C)C)CC1 ZINC001547705011 1072331753 /nfs/dbraw/zinc/33/17/53/1072331753.db2.gz NUPRGVXWKROWCG-QGZVFWFLSA-N 1 1 441.646 0.683 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001547705300 1072332122 /nfs/dbraw/zinc/33/21/22/1072332122.db2.gz WMLZLCKOFBCPAO-MOPGFXCFSA-N 1 1 449.600 0.103 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001547705301 1072331803 /nfs/dbraw/zinc/33/18/03/1072331803.db2.gz WMLZLCKOFBCPAO-OALUTQOASA-N 1 1 449.600 0.103 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001547705302 1072331625 /nfs/dbraw/zinc/33/16/25/1072331625.db2.gz WMLZLCKOFBCPAO-RBUKOAKNSA-N 1 1 449.600 0.103 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001547705303 1072331942 /nfs/dbraw/zinc/33/19/42/1072331942.db2.gz WMLZLCKOFBCPAO-RTBURBONSA-N 1 1 449.600 0.103 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001547705368 1072331844 /nfs/dbraw/zinc/33/18/44/1072331844.db2.gz YBLSDVJJTIHUFO-FQEVSTJZSA-N 1 1 448.660 0.713 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)C)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001547705370 1072332082 /nfs/dbraw/zinc/33/20/82/1072332082.db2.gz YBLSDVJJTIHUFO-HXUWFJFHSA-N 1 1 448.660 0.713 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001547705373 1072331905 /nfs/dbraw/zinc/33/19/05/1072331905.db2.gz RLPRPKQEKJASCE-MSOLQXFVSA-N 1 1 447.584 0.426 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001547705376 1072331776 /nfs/dbraw/zinc/33/17/76/1072331776.db2.gz RLPRPKQEKJASCE-QZTJIDSGSA-N 1 1 447.584 0.426 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001547705378 1072331700 /nfs/dbraw/zinc/33/17/00/1072331700.db2.gz RLPRPKQEKJASCE-ROUUACIJSA-N 1 1 447.584 0.426 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001547705379 1072331926 /nfs/dbraw/zinc/33/19/26/1072331926.db2.gz RLPRPKQEKJASCE-ZWKOTPCHSA-N 1 1 447.584 0.426 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(CC3CC3)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001547705450 1072332856 /nfs/dbraw/zinc/33/28/56/1072332856.db2.gz SNTZRIXEHNYMJH-BHIYHBOVSA-N 1 1 434.585 0.617 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC3CC3)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001547705451 1072332505 /nfs/dbraw/zinc/33/25/05/1072332505.db2.gz SNTZRIXEHNYMJH-QXAKKESOSA-N 1 1 434.585 0.617 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001547706160 1072332833 /nfs/dbraw/zinc/33/28/33/1072332833.db2.gz ZVBWSWAEVVOMTO-MSOLQXFVSA-N 1 1 446.600 0.093 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001547706161 1072332538 /nfs/dbraw/zinc/33/25/38/1072332538.db2.gz ZVBWSWAEVVOMTO-QZTJIDSGSA-N 1 1 446.600 0.093 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001547706162 1072332722 /nfs/dbraw/zinc/33/27/22/1072332722.db2.gz ZVBWSWAEVVOMTO-ROUUACIJSA-N 1 1 446.600 0.093 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001547706163 1072332902 /nfs/dbraw/zinc/33/29/02/1072332902.db2.gz ZVBWSWAEVVOMTO-ZWKOTPCHSA-N 1 1 446.600 0.093 20 0 ICADMO CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001547706817 1072332938 /nfs/dbraw/zinc/33/29/38/1072332938.db2.gz BZEVYPLXLUVLRR-HRAATJIYSA-N 1 1 428.541 0.522 20 0 ICADMO CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001547706817 1072332931 /nfs/dbraw/zinc/33/29/31/1072332931.db2.gz BZEVYPLXLUVLRR-HRAATJIYSA-N 1 1 428.541 0.522 20 0 ICADMO CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001547706820 1072332451 /nfs/dbraw/zinc/33/24/51/1072332451.db2.gz BZEVYPLXLUVLRR-IERDGZPVSA-N 1 1 428.541 0.522 20 0 ICADMO CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001547706820 1072332446 /nfs/dbraw/zinc/33/24/46/1072332446.db2.gz BZEVYPLXLUVLRR-IERDGZPVSA-N 1 1 428.541 0.522 20 0 ICADMO CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001547706870 1072332807 /nfs/dbraw/zinc/33/28/07/1072332807.db2.gz BZEVYPLXLUVLRR-IIBYNOLFSA-N 1 1 428.541 0.522 20 0 ICADMO CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001547706870 1072332800 /nfs/dbraw/zinc/33/28/00/1072332800.db2.gz BZEVYPLXLUVLRR-IIBYNOLFSA-N 1 1 428.541 0.522 20 0 ICADMO CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001547706871 1072332628 /nfs/dbraw/zinc/33/26/28/1072332628.db2.gz BZEVYPLXLUVLRR-KKSFZXQISA-N 1 1 428.541 0.522 20 0 ICADMO CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001547706871 1072332617 /nfs/dbraw/zinc/33/26/17/1072332617.db2.gz BZEVYPLXLUVLRR-KKSFZXQISA-N 1 1 428.541 0.522 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2nc(C)no2)C[C@@H]1C ZINC001547707198 1072333557 /nfs/dbraw/zinc/33/35/57/1072333557.db2.gz DWTFJTHJTFAEIE-KBPBESRZSA-N 1 1 440.574 0.743 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2nc(C)no2)C[C@H]1C ZINC001547707199 1072333395 /nfs/dbraw/zinc/33/33/95/1072333395.db2.gz DWTFJTHJTFAEIE-KGLIPLIRSA-N 1 1 440.574 0.743 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2nc(C)no2)C[C@@H]1C ZINC001547707200 1072333361 /nfs/dbraw/zinc/33/33/61/1072333361.db2.gz DWTFJTHJTFAEIE-UONOGXRCSA-N 1 1 440.574 0.743 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2nc(C)no2)C[C@H]1C ZINC001547707201 1072333472 /nfs/dbraw/zinc/33/34/72/1072333472.db2.gz DWTFJTHJTFAEIE-ZIAGYGMSSA-N 1 1 440.574 0.743 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCC[C@@H]2C)C[C@H]1C ZINC001547707580 1072333456 /nfs/dbraw/zinc/33/34/56/1072333456.db2.gz HOXISHGKEKHYGH-CYJAXWMASA-N 1 1 428.603 0.970 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCC[C@@H]2C)C[C@@H]1C ZINC001547707582 1072333431 /nfs/dbraw/zinc/33/34/31/1072333431.db2.gz HOXISHGKEKHYGH-IUVQAAGXSA-N 1 1 428.603 0.970 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCC[C@H]2C)C[C@H]1C ZINC001547707584 1072333586 /nfs/dbraw/zinc/33/35/86/1072333586.db2.gz HOXISHGKEKHYGH-OAFZBRQQSA-N 1 1 428.603 0.970 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCC[C@H]2C)C[C@@H]1C ZINC001547707586 1072333316 /nfs/dbraw/zinc/33/33/16/1072333316.db2.gz HOXISHGKEKHYGH-PASDCYSWSA-N 1 1 428.603 0.970 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C(N)=O)CCCC2)C[C@H]1C ZINC001547707748 1072333535 /nfs/dbraw/zinc/33/35/35/1072333535.db2.gz HSGDWXNNXAFKQI-CABCVRRESA-N 1 1 441.602 0.464 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C(N)=O)CCCC2)C[C@@H]1C ZINC001547707753 1072333375 /nfs/dbraw/zinc/33/33/75/1072333375.db2.gz HSGDWXNNXAFKQI-GJZGRUSLSA-N 1 1 441.602 0.464 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C(N)=O)CCCC2)C[C@H]1C ZINC001547707754 1072333327 /nfs/dbraw/zinc/33/33/27/1072333327.db2.gz HSGDWXNNXAFKQI-HUUCEWRRSA-N 1 1 441.602 0.464 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C(N)=O)CCCC2)C[C@@H]1C ZINC001547707756 1072333637 /nfs/dbraw/zinc/33/36/37/1072333637.db2.gz HSGDWXNNXAFKQI-LSDHHAIUSA-N 1 1 441.602 0.464 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2NC(=O)CC2(C)C)C[C@H]1C ZINC001547707782 1072333289 /nfs/dbraw/zinc/33/32/89/1072333289.db2.gz HYIRGVBZRAZZIW-ILXRZTDVSA-N 1 1 441.602 0.333 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001547707786 1072333417 /nfs/dbraw/zinc/33/34/17/1072333417.db2.gz HYIRGVBZRAZZIW-KKUMJFAQSA-N 1 1 441.602 0.333 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2NC(=O)CC2(C)C)C[C@H]1C ZINC001547707788 1072333258 /nfs/dbraw/zinc/33/32/58/1072333258.db2.gz HYIRGVBZRAZZIW-QLFBSQMISA-N 1 1 441.602 0.333 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001547707789 1072333496 /nfs/dbraw/zinc/33/34/96/1072333496.db2.gz HYIRGVBZRAZZIW-SOUVJXGZSA-N 1 1 441.602 0.333 20 0 ICADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)C2CC2)C[C@@H]1C ZINC001547708454 1072334096 /nfs/dbraw/zinc/33/40/96/1072334096.db2.gz NOGZBRLCWYNOGJ-HNNXBMFYSA-N 1 1 426.525 0.982 20 0 ICADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)C2CC2)C[C@H]1C ZINC001547708455 1072334600 /nfs/dbraw/zinc/33/46/00/1072334600.db2.gz NOGZBRLCWYNOGJ-OAHLLOKOSA-N 1 1 426.525 0.982 20 0 ICADMO CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+](CC)C2CC2)C[C@H]1C ZINC001547708628 1072334340 /nfs/dbraw/zinc/33/43/40/1072334340.db2.gz OWSPVDJXDCJIOH-CVEARBPZSA-N 1 1 427.619 0.903 20 0 ICADMO CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+](CC)C2CC2)C[C@H]1C ZINC001547708628 1072334327 /nfs/dbraw/zinc/33/43/27/1072334327.db2.gz OWSPVDJXDCJIOH-CVEARBPZSA-N 1 1 427.619 0.903 20 0 ICADMO CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+](CC)C2CC2)C[C@@H]1C ZINC001547708629 1072334052 /nfs/dbraw/zinc/33/40/52/1072334052.db2.gz OWSPVDJXDCJIOH-HOTGVXAUSA-N 1 1 427.619 0.903 20 0 ICADMO CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+](CC)C2CC2)C[C@@H]1C ZINC001547708629 1072334047 /nfs/dbraw/zinc/33/40/47/1072334047.db2.gz OWSPVDJXDCJIOH-HOTGVXAUSA-N 1 1 427.619 0.903 20 0 ICADMO CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+](CC)C2CC2)C[C@H]1C ZINC001547708631 1072334408 /nfs/dbraw/zinc/33/44/08/1072334408.db2.gz OWSPVDJXDCJIOH-HZPDHXFCSA-N 1 1 427.619 0.903 20 0 ICADMO CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+](CC)C2CC2)C[C@H]1C ZINC001547708631 1072334400 /nfs/dbraw/zinc/33/44/00/1072334400.db2.gz OWSPVDJXDCJIOH-HZPDHXFCSA-N 1 1 427.619 0.903 20 0 ICADMO CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+](CC)C2CC2)C[C@@H]1C ZINC001547708633 1072334177 /nfs/dbraw/zinc/33/41/77/1072334177.db2.gz OWSPVDJXDCJIOH-JKSUJKDBSA-N 1 1 427.619 0.903 20 0 ICADMO CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+](CC)C2CC2)C[C@@H]1C ZINC001547708633 1072334166 /nfs/dbraw/zinc/33/41/66/1072334166.db2.gz OWSPVDJXDCJIOH-JKSUJKDBSA-N 1 1 427.619 0.903 20 0 ICADMO CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001547709727 1072334244 /nfs/dbraw/zinc/33/42/44/1072334244.db2.gz ZXBCMDPOKIRKOR-HLLBOEOZSA-N 1 1 427.619 0.759 20 0 ICADMO CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001547709729 1072333965 /nfs/dbraw/zinc/33/39/65/1072333965.db2.gz ZXBCMDPOKIRKOR-VYDXJSESSA-N 1 1 427.619 0.759 20 0 ICADMO CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C2CC2)[NH+](C)C)C[C@@H]1C ZINC001547709731 1072334472 /nfs/dbraw/zinc/33/44/72/1072334472.db2.gz ZXBCMDPOKIRKOR-YQQAZPJKSA-N 1 1 427.619 0.759 20 0 ICADMO CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C2CC2)[NH+](C)C)C[C@@H]1C ZINC001547709733 1072334076 /nfs/dbraw/zinc/33/40/76/1072334076.db2.gz ZXBCMDPOKIRKOR-ZOBUZTSGSA-N 1 1 427.619 0.759 20 0 ICADMO CC[N@H+]1CCN(c2nnc(-c3ccccn3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H]1C ZINC001547711402 1072334574 /nfs/dbraw/zinc/33/45/74/1072334574.db2.gz GDPVBGIMFWSVOF-INIZCTEOSA-N 1 1 434.566 0.810 20 0 ICADMO CC[N@H+]1CCN(c2nnc(-c3ccccn3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H]1C ZINC001547711403 1072335177 /nfs/dbraw/zinc/33/51/77/1072335177.db2.gz GDPVBGIMFWSVOF-MRXNPFEDSA-N 1 1 434.566 0.810 20 0 ICADMO CC[N@H+]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCNC(C)=O)C[C@@H]1C ZINC001547711488 1072334963 /nfs/dbraw/zinc/33/49/63/1072334963.db2.gz HTINGFMBFNNGIK-INIZCTEOSA-N 1 1 438.540 0.977 20 0 ICADMO CC[N@H+]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCNC(C)=O)C[C@H]1C ZINC001547711491 1072335016 /nfs/dbraw/zinc/33/50/16/1072335016.db2.gz HTINGFMBFNNGIK-MRXNPFEDSA-N 1 1 438.540 0.977 20 0 ICADMO CC[N@H+]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(=O)NC)C[C@@H]1C ZINC001547713040 1072335230 /nfs/dbraw/zinc/33/52/30/1072335230.db2.gz ALPLASQCQKFYBL-HNNXBMFYSA-N 1 1 448.597 0.905 20 0 ICADMO CC[N@H+]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(=O)NC)C[C@H]1C ZINC001547713041 1072335160 /nfs/dbraw/zinc/33/51/60/1072335160.db2.gz ALPLASQCQKFYBL-OAHLLOKOSA-N 1 1 448.597 0.905 20 0 ICADMO CC[N@H+]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC(=O)N(C)C)C[C@@H]1C ZINC001547713758 1072335276 /nfs/dbraw/zinc/33/52/76/1072335276.db2.gz GOLGQKAUMSOFIE-HNNXBMFYSA-N 1 1 438.536 0.811 20 0 ICADMO CC[N@H+]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC(=O)N(C)C)C[C@H]1C ZINC001547713759 1072335141 /nfs/dbraw/zinc/33/51/41/1072335141.db2.gz GOLGQKAUMSOFIE-OAHLLOKOSA-N 1 1 438.536 0.811 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)NC(C)C)C[C@H]1C ZINC001547716152 1072334989 /nfs/dbraw/zinc/33/49/89/1072334989.db2.gz RRBLTWANWIVSQC-CABCVRRESA-N 1 1 427.575 0.087 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)NC(C)C)C[C@@H]1C ZINC001547716155 1072335936 /nfs/dbraw/zinc/33/59/36/1072335936.db2.gz RRBLTWANWIVSQC-GJZGRUSLSA-N 1 1 427.575 0.087 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)NC(C)C)C[C@H]1C ZINC001547716157 1072335834 /nfs/dbraw/zinc/33/58/34/1072335834.db2.gz RRBLTWANWIVSQC-HUUCEWRRSA-N 1 1 427.575 0.087 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)NC(C)C)C[C@@H]1C ZINC001547716159 1072335666 /nfs/dbraw/zinc/33/56/66/1072335666.db2.gz RRBLTWANWIVSQC-LSDHHAIUSA-N 1 1 427.575 0.087 20 0 ICADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNS(=O)(=O)CC)C[C@@H]1C ZINC001547717103 1072335917 /nfs/dbraw/zinc/33/59/17/1072335917.db2.gz GMOUYORFAOEECI-KRWDZBQOSA-N 1 1 438.602 0.609 20 0 ICADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNS(=O)(=O)CC)C[C@H]1C ZINC001547717115 1072335726 /nfs/dbraw/zinc/33/57/26/1072335726.db2.gz GMOUYORFAOEECI-QGZVFWFLSA-N 1 1 438.602 0.609 20 0 ICADMO CC[N@H+]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001547718196 1072335967 /nfs/dbraw/zinc/33/59/67/1072335967.db2.gz MJSCKXSHHUROMB-INIZCTEOSA-N 1 1 446.581 0.596 20 0 ICADMO CC[N@H+]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001547718197 1072335683 /nfs/dbraw/zinc/33/56/83/1072335683.db2.gz MJSCKXSHHUROMB-MRXNPFEDSA-N 1 1 446.581 0.596 20 0 ICADMO CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+](C)C)C[C@H]1C ZINC001547718742 1072336074 /nfs/dbraw/zinc/33/60/74/1072336074.db2.gz MQKOXJVPFFTWQT-BBWFWOEESA-N 1 1 443.618 0.092 20 0 ICADMO CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC001547718743 1072335820 /nfs/dbraw/zinc/33/58/20/1072335820.db2.gz MQKOXJVPFFTWQT-IKGGRYGDSA-N 1 1 443.618 0.092 20 0 ICADMO CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+](C)C)C[C@@H]1C ZINC001547718744 1072335777 /nfs/dbraw/zinc/33/57/77/1072335777.db2.gz MQKOXJVPFFTWQT-ULQDDVLXSA-N 1 1 443.618 0.092 20 0 ICADMO CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001547718745 1072336107 /nfs/dbraw/zinc/33/61/07/1072336107.db2.gz MQKOXJVPFFTWQT-ZACQAIPSSA-N 1 1 443.618 0.092 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CC2)C[C@@H]1C ZINC001547719202 1072336024 /nfs/dbraw/zinc/33/60/24/1072336024.db2.gz PMKHLTZFXUDDHR-DOTOQJQBSA-N 1 1 426.587 0.942 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CC2)C[C@H]1C ZINC001547719203 1072335868 /nfs/dbraw/zinc/33/58/68/1072335868.db2.gz PMKHLTZFXUDDHR-NVXWUHKLSA-N 1 1 426.587 0.942 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CC2)C[C@@H]1C ZINC001547719204 1072335745 /nfs/dbraw/zinc/33/57/45/1072335745.db2.gz PMKHLTZFXUDDHR-RDJZCZTQSA-N 1 1 426.587 0.942 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CC2)C[C@H]1C ZINC001547719205 1072336126 /nfs/dbraw/zinc/33/61/26/1072336126.db2.gz PMKHLTZFXUDDHR-WBVHZDCISA-N 1 1 426.587 0.942 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccco2)C[C@@H]1C ZINC001547719986 1072335895 /nfs/dbraw/zinc/33/58/95/1072335895.db2.gz UASYLCBDMJBRPO-DOTOQJQBSA-N 1 1 438.554 0.783 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccco2)C[C@H]1C ZINC001547719987 1072336734 /nfs/dbraw/zinc/33/67/34/1072336734.db2.gz UASYLCBDMJBRPO-NVXWUHKLSA-N 1 1 438.554 0.783 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccco2)C[C@@H]1C ZINC001547719988 1072336601 /nfs/dbraw/zinc/33/66/01/1072336601.db2.gz UASYLCBDMJBRPO-RDJZCZTQSA-N 1 1 438.554 0.783 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccco2)C[C@H]1C ZINC001547719989 1072336813 /nfs/dbraw/zinc/33/68/13/1072336813.db2.gz UASYLCBDMJBRPO-WBVHZDCISA-N 1 1 438.554 0.783 20 0 ICADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(C)(C)C)n3CC(=O)N3CCOCC3)C2)CC1 ZINC001547722162 1072336563 /nfs/dbraw/zinc/33/65/63/1072336563.db2.gz LHNVZUVPJBLIPI-GOSISDBHSA-N 1 1 433.601 0.651 20 0 ICADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(C)(C)C)n3CC(=O)N3CCOCC3)C2)CC1 ZINC001547722163 1072336844 /nfs/dbraw/zinc/33/68/44/1072336844.db2.gz LHNVZUVPJBLIPI-SFHVURJKSA-N 1 1 433.601 0.651 20 0 ICADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C4CCC4)n3CCNS(=O)(=O)CC)C2)CC1 ZINC001547722774 1072336445 /nfs/dbraw/zinc/33/64/45/1072336445.db2.gz ANCVAMKRFCULDX-GOSISDBHSA-N 1 1 439.630 0.701 20 0 ICADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(C4CCC4)n3CCNS(=O)(=O)CC)C2)CC1 ZINC001547722776 1072337553 /nfs/dbraw/zinc/33/75/53/1072337553.db2.gz ANCVAMKRFCULDX-SFHVURJKSA-N 1 1 439.630 0.701 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)N2CCOCC2)C[C@H]1C ZINC001547722795 1072337708 /nfs/dbraw/zinc/33/77/08/1072337708.db2.gz YERUMVNUJHKFKT-AOIWGVFYSA-N 1 1 436.557 0.391 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)N2CCOCC2)C[C@@H]1C ZINC001547722797 1072337168 /nfs/dbraw/zinc/33/71/68/1072337168.db2.gz YERUMVNUJHKFKT-LNLFQRSKSA-N 1 1 436.557 0.391 20 0 ICADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC4CC4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001547722948 1072337477 /nfs/dbraw/zinc/33/74/77/1072337477.db2.gz AFCRGTXXUYSJRH-GOSISDBHSA-N 1 1 439.630 0.386 20 0 ICADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC4CC4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001547722983 1072337517 /nfs/dbraw/zinc/33/75/17/1072337517.db2.gz AFCRGTXXUYSJRH-SFHVURJKSA-N 1 1 439.630 0.386 20 0 ICADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C4CC4)n3CCCNS(=O)(=O)CC)C2)CC1 ZINC001547723374 1072337586 /nfs/dbraw/zinc/33/75/86/1072337586.db2.gz GZOFFTDQGBPQKA-GOSISDBHSA-N 1 1 439.630 0.701 20 0 ICADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(C4CC4)n3CCCNS(=O)(=O)CC)C2)CC1 ZINC001547723375 1072337402 /nfs/dbraw/zinc/33/74/02/1072337402.db2.gz GZOFFTDQGBPQKA-SFHVURJKSA-N 1 1 439.630 0.701 20 0 ICADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4cnccn4)n3CCC(=O)N(C)C)C2)CC1 ZINC001547723379 1072337617 /nfs/dbraw/zinc/33/76/17/1072337617.db2.gz HGKOAQPMAFPVCB-KRWDZBQOSA-N 1 1 427.557 0.430 20 0 ICADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4cnccn4)n3CCC(=O)N(C)C)C2)CC1 ZINC001547723381 1072337242 /nfs/dbraw/zinc/33/72/42/1072337242.db2.gz HGKOAQPMAFPVCB-QGZVFWFLSA-N 1 1 427.557 0.430 20 0 ICADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCOCC(F)F)C2)CC1 ZINC001547724342 1072337738 /nfs/dbraw/zinc/33/77/38/1072337738.db2.gz QAEXNHLBJBEWDN-CVEARBPZSA-N 1 1 441.527 0.727 20 0 ICADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCOCC(F)F)C2)CC1 ZINC001547724348 1072337782 /nfs/dbraw/zinc/33/77/82/1072337782.db2.gz QAEXNHLBJBEWDN-HOTGVXAUSA-N 1 1 441.527 0.727 20 0 ICADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCOCC(F)F)C2)CC1 ZINC001547724350 1072337272 /nfs/dbraw/zinc/33/72/72/1072337272.db2.gz QAEXNHLBJBEWDN-HZPDHXFCSA-N 1 1 441.527 0.727 20 0 ICADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCOCC(F)F)C2)CC1 ZINC001547724351 1072337642 /nfs/dbraw/zinc/33/76/42/1072337642.db2.gz QAEXNHLBJBEWDN-JKSUJKDBSA-N 1 1 441.527 0.727 20 0 ICADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(Cc4ccccn4)n3CC(=O)N(C)C)C2)CC1 ZINC001547724518 1072337676 /nfs/dbraw/zinc/33/76/76/1072337676.db2.gz QRFBFYFXJBSLSR-IBGZPJMESA-N 1 1 426.569 0.568 20 0 ICADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4ccccn4)n3CC(=O)N(C)C)C2)CC1 ZINC001547724519 1072337303 /nfs/dbraw/zinc/33/73/03/1072337303.db2.gz QRFBFYFXJBSLSR-LJQANCHMSA-N 1 1 426.569 0.568 20 0 ICADMO CCN(C)C(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001547724559 1072338193 /nfs/dbraw/zinc/33/81/93/1072338193.db2.gz QWPNCJIMYQOSQQ-KRWDZBQOSA-N 1 1 427.557 0.430 20 0 ICADMO CCN(C)C(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001547724560 1072338334 /nfs/dbraw/zinc/33/83/34/1072338334.db2.gz QWPNCJIMYQOSQQ-QGZVFWFLSA-N 1 1 427.557 0.430 20 0 ICADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)C)n3CCCn3cc(CO)nn3)C2)CC1 ZINC001547724764 1072338365 /nfs/dbraw/zinc/33/83/65/1072338365.db2.gz RUNCNQKFIVCFBO-FQEVSTJZSA-N 1 1 445.616 0.867 20 0 ICADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)C)n3CCCn3cc(CO)nn3)C2)CC1 ZINC001547724765 1072338205 /nfs/dbraw/zinc/33/82/05/1072338205.db2.gz RUNCNQKFIVCFBO-HXUWFJFHSA-N 1 1 445.616 0.867 20 0 ICADMO CCN(CCCn1c(C)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1)S(C)(=O)=O ZINC001547724867 1072338178 /nfs/dbraw/zinc/33/81/78/1072338178.db2.gz LDSNQHYGSAFQHD-GOSISDBHSA-N 1 1 427.619 0.474 20 0 ICADMO CCN(CCCn1c(C)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1)S(C)(=O)=O ZINC001547724870 1072338132 /nfs/dbraw/zinc/33/81/32/1072338132.db2.gz LDSNQHYGSAFQHD-SFHVURJKSA-N 1 1 427.619 0.474 20 0 ICADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C4CC4)n3CCS(=O)(=O)NC(C)C)C2)CC1 ZINC001547725738 1072338309 /nfs/dbraw/zinc/33/83/09/1072338309.db2.gz ZHYBLRHVRPYEQN-GOSISDBHSA-N 1 1 439.630 0.700 20 0 ICADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(C4CC4)n3CCS(=O)(=O)NC(C)C)C2)CC1 ZINC001547725740 1072338908 /nfs/dbraw/zinc/33/89/08/1072338908.db2.gz ZHYBLRHVRPYEQN-SFHVURJKSA-N 1 1 439.630 0.700 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 ZINC001547726163 1072339056 /nfs/dbraw/zinc/33/90/56/1072339056.db2.gz LUCSRROIEQZREM-GOSISDBHSA-N 1 1 448.616 0.033 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 ZINC001547726164 1072339038 /nfs/dbraw/zinc/33/90/38/1072339038.db2.gz LUCSRROIEQZREM-SFHVURJKSA-N 1 1 448.616 0.033 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC001547726169 1072339075 /nfs/dbraw/zinc/33/90/75/1072339075.db2.gz LXYRHFRCVUUBFK-KRWDZBQOSA-N 1 1 441.646 0.720 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC001547726170 1072339093 /nfs/dbraw/zinc/33/90/93/1072339093.db2.gz LXYRHFRCVUUBFK-QGZVFWFLSA-N 1 1 441.646 0.720 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001547726362 1072338739 /nfs/dbraw/zinc/33/87/39/1072338739.db2.gz NROPAYMRYFTFBN-GOSISDBHSA-N 1 1 448.616 0.358 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001547726364 1072338952 /nfs/dbraw/zinc/33/89/52/1072338952.db2.gz NROPAYMRYFTFBN-SFHVURJKSA-N 1 1 448.616 0.358 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001547726745 1072338821 /nfs/dbraw/zinc/33/88/21/1072338821.db2.gz RLAWWTFNRQJPIY-KURKYZTESA-N 1 1 435.573 0.251 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001547726746 1072338685 /nfs/dbraw/zinc/33/86/85/1072338685.db2.gz RLAWWTFNRQJPIY-OKZBNKHCSA-N 1 1 435.573 0.251 20 0 ICADMO CC[NH+]1CCN(CCCCn2c(C)nnc2N2CCN(c3cnn(C)c3)C(=O)C2)CC1 ZINC001547727726 1072338870 /nfs/dbraw/zinc/33/88/70/1072338870.db2.gz AWBBSOMRSWRBLE-UHFFFAOYSA-N 1 1 429.573 0.591 20 0 ICADMO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCS(=O)CC2)CC1 ZINC001547728075 1072338930 /nfs/dbraw/zinc/33/89/30/1072338930.db2.gz MIEQOJXUOMPOBS-KRWDZBQOSA-N 1 1 434.614 0.521 20 0 ICADMO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCS(=O)CC2)CC1 ZINC001547728079 1072338763 /nfs/dbraw/zinc/33/87/63/1072338763.db2.gz MIEQOJXUOMPOBS-QGZVFWFLSA-N 1 1 434.614 0.521 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001547728084 1072338796 /nfs/dbraw/zinc/33/87/96/1072338796.db2.gz MKEOTNFFGTUWSV-HTAPYJJXSA-N 1 1 441.584 0.710 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001547728086 1072338986 /nfs/dbraw/zinc/33/89/86/1072338986.db2.gz MKEOTNFFGTUWSV-JTSKRJEESA-N 1 1 441.584 0.710 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001547728088 1072338974 /nfs/dbraw/zinc/33/89/74/1072338974.db2.gz MKEOTNFFGTUWSV-VGOFRKELSA-N 1 1 441.584 0.710 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001547728090 1072338719 /nfs/dbraw/zinc/33/87/19/1072338719.db2.gz MKEOTNFFGTUWSV-VGSWGCGISA-N 1 1 441.584 0.710 20 0 ICADMO CC[NH+]1CCN(CCCCn2c(C)nnc2N2CCC3(CC2)NC(=O)N(C)C3=O)CC1 ZINC001547728135 1072338852 /nfs/dbraw/zinc/33/88/52/1072338852.db2.gz IMERSACMCGKHGF-UHFFFAOYSA-N 1 1 432.573 0.525 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001547728304 1072339433 /nfs/dbraw/zinc/33/94/33/1072339433.db2.gz AHRLHPRKZBMESA-BBWFWOEESA-N 1 1 434.589 0.203 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001547728307 1072339531 /nfs/dbraw/zinc/33/95/31/1072339531.db2.gz AHRLHPRKZBMESA-GVDBMIGSSA-N 1 1 434.589 0.203 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001547728310 1072339495 /nfs/dbraw/zinc/33/94/95/1072339495.db2.gz AHRLHPRKZBMESA-ULQDDVLXSA-N 1 1 434.589 0.203 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001547728312 1072339734 /nfs/dbraw/zinc/33/97/34/1072339734.db2.gz AHRLHPRKZBMESA-YESZJQIVSA-N 1 1 434.589 0.203 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547728673 1072339712 /nfs/dbraw/zinc/33/97/12/1072339712.db2.gz CPUFVWMZTYLCOG-MOPGFXCFSA-N 1 1 433.601 0.724 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547728676 1072339385 /nfs/dbraw/zinc/33/93/85/1072339385.db2.gz CPUFVWMZTYLCOG-OALUTQOASA-N 1 1 433.601 0.724 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547728678 1072339600 /nfs/dbraw/zinc/33/96/00/1072339600.db2.gz CPUFVWMZTYLCOG-RBUKOAKNSA-N 1 1 433.601 0.724 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547728680 1072339631 /nfs/dbraw/zinc/33/96/31/1072339631.db2.gz CPUFVWMZTYLCOG-RTBURBONSA-N 1 1 433.601 0.724 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001547728958 1072339362 /nfs/dbraw/zinc/33/93/62/1072339362.db2.gz RDFUMEIZSSZIRO-MSOLQXFVSA-N 1 1 443.600 0.654 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001547728961 1072339652 /nfs/dbraw/zinc/33/96/52/1072339652.db2.gz RDFUMEIZSSZIRO-QZTJIDSGSA-N 1 1 443.600 0.654 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001547728963 1072339550 /nfs/dbraw/zinc/33/95/50/1072339550.db2.gz RDFUMEIZSSZIRO-ROUUACIJSA-N 1 1 443.600 0.654 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001547728965 1072339698 /nfs/dbraw/zinc/33/96/98/1072339698.db2.gz RDFUMEIZSSZIRO-ZWKOTPCHSA-N 1 1 443.600 0.654 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCNC(=O)C2)CC1 ZINC001547728985 1072339664 /nfs/dbraw/zinc/33/96/64/1072339664.db2.gz FFPAKTOGUHWSRI-GOSISDBHSA-N 1 1 426.569 0.474 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCNC(=O)C2)CC1 ZINC001547728987 1072339565 /nfs/dbraw/zinc/33/95/65/1072339565.db2.gz FFPAKTOGUHWSRI-SFHVURJKSA-N 1 1 426.569 0.474 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cnccn3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547729615 1072339515 /nfs/dbraw/zinc/33/95/15/1072339515.db2.gz WTJNMIUFNWVIKL-KRWDZBQOSA-N 1 1 427.557 0.287 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547729616 1072339586 /nfs/dbraw/zinc/33/95/86/1072339586.db2.gz WTJNMIUFNWVIKL-QGZVFWFLSA-N 1 1 427.557 0.287 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC3CC3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001547729812 1072339781 /nfs/dbraw/zinc/33/97/81/1072339781.db2.gz BKULBPSRRRHLTG-IBGZPJMESA-N 1 1 447.628 0.799 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC3CC3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001547729815 1072339753 /nfs/dbraw/zinc/33/97/53/1072339753.db2.gz BKULBPSRRRHLTG-LJQANCHMSA-N 1 1 447.628 0.799 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C3CC3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001547730638 1072340431 /nfs/dbraw/zinc/34/04/31/1072340431.db2.gz NYZSXXAJGKMDAC-GOSISDBHSA-N 1 1 433.601 0.724 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C3CC3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001547730640 1072340279 /nfs/dbraw/zinc/34/02/79/1072340279.db2.gz NYZSXXAJGKMDAC-SFHVURJKSA-N 1 1 433.601 0.724 20 0 ICADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001547730732 1072340306 /nfs/dbraw/zinc/34/03/06/1072340306.db2.gz LFLBSPMFSPHHDX-MSOLQXFVSA-N 1 1 446.600 0.314 20 0 ICADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001547730733 1072340120 /nfs/dbraw/zinc/34/01/20/1072340120.db2.gz LFLBSPMFSPHHDX-QZTJIDSGSA-N 1 1 446.600 0.314 20 0 ICADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001547730734 1072340098 /nfs/dbraw/zinc/34/00/98/1072340098.db2.gz LFLBSPMFSPHHDX-ROUUACIJSA-N 1 1 446.600 0.314 20 0 ICADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001547730735 1072340467 /nfs/dbraw/zinc/34/04/67/1072340467.db2.gz LFLBSPMFSPHHDX-ZWKOTPCHSA-N 1 1 446.600 0.314 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001547730960 1072340065 /nfs/dbraw/zinc/34/00/65/1072340065.db2.gz POUHWPLHDYEROH-FHWLQOOXSA-N 1 1 433.601 0.723 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001547730964 1072340226 /nfs/dbraw/zinc/34/02/26/1072340226.db2.gz POUHWPLHDYEROH-GBESFXJTSA-N 1 1 433.601 0.723 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001547730966 1072340364 /nfs/dbraw/zinc/34/03/64/1072340364.db2.gz POUHWPLHDYEROH-IPMKNSEASA-N 1 1 433.601 0.723 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001547730968 1072340526 /nfs/dbraw/zinc/34/05/26/1072340526.db2.gz POUHWPLHDYEROH-OTWHNJEPSA-N 1 1 433.601 0.723 20 0 ICADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCCOC3)nnc2N2CCNC(=O)CC2)CC1 ZINC001547731048 1072340013 /nfs/dbraw/zinc/34/00/13/1072340013.db2.gz OGEFUFPIPDTMTM-IBGZPJMESA-N 1 1 433.601 0.916 20 0 ICADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCCOC3)nnc2N2CCNC(=O)CC2)CC1 ZINC001547731049 1072340485 /nfs/dbraw/zinc/34/04/85/1072340485.db2.gz OGEFUFPIPDTMTM-LJQANCHMSA-N 1 1 433.601 0.916 20 0 ICADMO CC[NH+]1CCN(CCCCn2c(C(=O)N3CCCC3)nnc2N2CCNC(=O)CC2)CC1 ZINC001547731158 1072340258 /nfs/dbraw/zinc/34/02/58/1072340258.db2.gz ISAJLMGVDNSQGA-UHFFFAOYSA-N 1 1 446.600 0.258 20 0 ICADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001547731471 1072340141 /nfs/dbraw/zinc/34/01/41/1072340141.db2.gz LLBSPVIRHJGDTO-JOCHJYFZSA-N 1 1 448.616 0.536 20 0 ICADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001547731493 1072340507 /nfs/dbraw/zinc/34/05/07/1072340507.db2.gz LLBSPVIRHJGDTO-QFIPXVFZSA-N 1 1 448.616 0.536 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001547731552 1072340399 /nfs/dbraw/zinc/34/03/99/1072340399.db2.gz LUVRTYWGWUCJNQ-AQNXPRMDSA-N 1 1 447.628 0.881 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001547731554 1072340030 /nfs/dbraw/zinc/34/00/30/1072340030.db2.gz LUVRTYWGWUCJNQ-ZCNNSNEGSA-N 1 1 447.628 0.881 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCNC(=O)CC2)CC1 ZINC001547731775 1072340876 /nfs/dbraw/zinc/34/08/76/1072340876.db2.gz MYEXCCRLKQWNAQ-GOSISDBHSA-N 1 1 446.600 0.000 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCNC(=O)CC2)CC1 ZINC001547731778 1072340862 /nfs/dbraw/zinc/34/08/62/1072340862.db2.gz MYEXCCRLKQWNAQ-SFHVURJKSA-N 1 1 446.600 0.000 20 0 ICADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001547731937 1072341105 /nfs/dbraw/zinc/34/11/05/1072341105.db2.gz WPCZUANHVWXHCL-MSOLQXFVSA-N 1 1 447.584 0.646 20 0 ICADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001547731938 1072340894 /nfs/dbraw/zinc/34/08/94/1072340894.db2.gz WPCZUANHVWXHCL-QZTJIDSGSA-N 1 1 447.584 0.646 20 0 ICADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001547731939 1072341013 /nfs/dbraw/zinc/34/10/13/1072341013.db2.gz WPCZUANHVWXHCL-ROUUACIJSA-N 1 1 447.584 0.646 20 0 ICADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001547731940 1072341116 /nfs/dbraw/zinc/34/11/16/1072341116.db2.gz WPCZUANHVWXHCL-ZWKOTPCHSA-N 1 1 447.584 0.646 20 0 ICADMO CCN1CC[NH+](CCCn2c(C)nnc2N2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 ZINC001547733322 1072340931 /nfs/dbraw/zinc/34/09/31/1072340931.db2.gz KEOBZSBGDKJGLJ-UHFFFAOYSA-N 1 1 441.584 0.435 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001547733432 1072341033 /nfs/dbraw/zinc/34/10/33/1072341033.db2.gz ATGIXRCLSCDMQP-IBGZPJMESA-N 1 1 448.616 0.549 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001547733433 1072340842 /nfs/dbraw/zinc/34/08/42/1072340842.db2.gz ATGIXRCLSCDMQP-LJQANCHMSA-N 1 1 448.616 0.549 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001547733650 1072340910 /nfs/dbraw/zinc/34/09/10/1072340910.db2.gz FWYNRSBTRVRDLK-GOSISDBHSA-N 1 1 446.600 0.209 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001547733652 1072341054 /nfs/dbraw/zinc/34/10/54/1072341054.db2.gz FWYNRSBTRVRDLK-SFHVURJKSA-N 1 1 446.600 0.209 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N(C)CCn2cccn2)CC1 ZINC001547733715 1072340980 /nfs/dbraw/zinc/34/09/80/1072340980.db2.gz HEAQHHHKVFTBLU-UHFFFAOYSA-N 1 1 443.600 0.875 20 0 ICADMO CCN1CC[NH+](CCCn2c(C)nnc2N2CCN(CC(=O)N3CCCCC3)CC2)CC1 ZINC001547733755 1072341474 /nfs/dbraw/zinc/34/14/74/1072341474.db2.gz TZFRPOYOGULOBO-UHFFFAOYSA-N 1 1 446.644 0.749 20 0 ICADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001547733816 1072341678 /nfs/dbraw/zinc/34/16/78/1072341678.db2.gz UYWIGWSZCXPSPO-IKGGRYGDSA-N 1 1 445.609 0.710 20 0 ICADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001547733817 1072341774 /nfs/dbraw/zinc/34/17/74/1072341774.db2.gz UYWIGWSZCXPSPO-ZACQAIPSSA-N 1 1 445.609 0.710 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)C(=O)C2)CC1 ZINC001547734095 1072341388 /nfs/dbraw/zinc/34/13/88/1072341388.db2.gz MJCYWABHPKXKBH-UHFFFAOYSA-N 1 1 446.600 0.255 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001547734102 1072341575 /nfs/dbraw/zinc/34/15/75/1072341575.db2.gz MRIPOYWXIVJEHE-UHFFFAOYSA-N 1 1 443.600 0.912 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001547734117 1072341751 /nfs/dbraw/zinc/34/17/51/1072341751.db2.gz NGZGBMDNPFMGTF-HDICACEKSA-N 1 1 437.589 0.294 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001547734245 1072341798 /nfs/dbraw/zinc/34/17/98/1072341798.db2.gz RSBURYTVFGULOC-KRWDZBQOSA-N 1 1 434.589 0.111 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001547734247 1072341408 /nfs/dbraw/zinc/34/14/08/1072341408.db2.gz RSBURYTVFGULOC-QGZVFWFLSA-N 1 1 434.589 0.111 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3cnccn3)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001547734278 1072341448 /nfs/dbraw/zinc/34/14/48/1072341448.db2.gz BBUIAKMICYMQHJ-UHFFFAOYSA-N 1 1 441.584 0.821 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3cnn(C)c3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001547734302 1072341433 /nfs/dbraw/zinc/34/14/33/1072341433.db2.gz BKMPDLUEPAWJNJ-UHFFFAOYSA-N 1 1 443.600 0.811 20 0 ICADMO CCN1CC[NH+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001547734351 1072341820 /nfs/dbraw/zinc/34/18/20/1072341820.db2.gz CPNAIEWQRYSBJS-MSOLQXFVSA-N 1 1 446.600 0.349 20 0 ICADMO CCN1CC[NH+](CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001547734352 1072341731 /nfs/dbraw/zinc/34/17/31/1072341731.db2.gz CPNAIEWQRYSBJS-QZTJIDSGSA-N 1 1 446.600 0.349 20 0 ICADMO CCN1CC[NH+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001547734353 1072341359 /nfs/dbraw/zinc/34/13/59/1072341359.db2.gz CPNAIEWQRYSBJS-ROUUACIJSA-N 1 1 446.600 0.349 20 0 ICADMO CCN1CC[NH+](CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001547734354 1072341514 /nfs/dbraw/zinc/34/15/14/1072341514.db2.gz CPNAIEWQRYSBJS-ZWKOTPCHSA-N 1 1 446.600 0.349 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3cnccn3)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001547734422 1072341548 /nfs/dbraw/zinc/34/15/48/1072341548.db2.gz DXOHARWEBCTDQY-UHFFFAOYSA-N 1 1 441.584 0.725 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001547734452 1072341326 /nfs/dbraw/zinc/34/13/26/1072341326.db2.gz UMAWEIDGPSOXHB-UHFFFAOYSA-N 1 1 434.589 0.146 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3cnn(C)c3)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001547734639 1072341715 /nfs/dbraw/zinc/34/17/15/1072341715.db2.gz KAVWFGTWBQCWAZ-GOSISDBHSA-N 1 1 443.600 0.763 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3cnn(C)c3)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001547734641 1072341640 /nfs/dbraw/zinc/34/16/40/1072341640.db2.gz KAVWFGTWBQCWAZ-SFHVURJKSA-N 1 1 443.600 0.763 20 0 ICADMO CCN1CC[NH+](CCCn2c([C@H]3OCC[C@H]3COC)nnc2N2CCNC(=O)CC2)CC1 ZINC001547734696 1072342371 /nfs/dbraw/zinc/34/23/71/1072342371.db2.gz BPGGTCFMASYWFX-ICSRJNTNSA-N 1 1 449.600 0.356 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001547734872 1072342054 /nfs/dbraw/zinc/34/20/54/1072342054.db2.gz YUMMQATWECNIRK-GOSISDBHSA-N 1 1 447.584 0.541 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001547734873 1072342319 /nfs/dbraw/zinc/34/23/19/1072342319.db2.gz YUMMQATWECNIRK-SFHVURJKSA-N 1 1 447.584 0.541 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3cnccn3)nnc2N2CCO[C@@H](COC)C2)CC1 ZINC001547734935 1072342342 /nfs/dbraw/zinc/34/23/42/1072342342.db2.gz MFFODKXYJXSAQB-GOSISDBHSA-N 1 1 430.557 0.614 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3cnccn3)nnc2N2CCO[C@H](COC)C2)CC1 ZINC001547734940 1072342195 /nfs/dbraw/zinc/34/21/95/1072342195.db2.gz MFFODKXYJXSAQB-SFHVURJKSA-N 1 1 430.557 0.614 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3cnccn3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001547734982 1072342156 /nfs/dbraw/zinc/34/21/56/1072342156.db2.gz MZUUPRPFLIQOIL-JOCHJYFZSA-N 1 1 441.584 0.725 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3cnccn3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001547734984 1072342272 /nfs/dbraw/zinc/34/22/72/1072342272.db2.gz MZUUPRPFLIQOIL-QFIPXVFZSA-N 1 1 441.584 0.725 20 0 ICADMO CCN1CC[NH+](CCCn2c(CC3CC3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001547735074 1072342441 /nfs/dbraw/zinc/34/24/41/1072342441.db2.gz HBARYMOQXYLWMI-UHFFFAOYSA-N 1 1 433.601 0.553 20 0 ICADMO CCN1CC[NH+](CCCn2c([C@H]3CCOC3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001547735135 1072342298 /nfs/dbraw/zinc/34/22/98/1072342298.db2.gz AKPUPFPJRAAFHF-MOPGFXCFSA-N 1 1 433.601 0.901 20 0 ICADMO CCN1CC[NH+](CCCn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001547735137 1072342237 /nfs/dbraw/zinc/34/22/37/1072342237.db2.gz AKPUPFPJRAAFHF-OALUTQOASA-N 1 1 433.601 0.901 20 0 ICADMO CCN1CC[NH+](CCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001547735139 1072342212 /nfs/dbraw/zinc/34/22/12/1072342212.db2.gz AKPUPFPJRAAFHF-RBUKOAKNSA-N 1 1 433.601 0.901 20 0 ICADMO CCN1CC[NH+](CCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001547735141 1072342426 /nfs/dbraw/zinc/34/24/26/1072342426.db2.gz AKPUPFPJRAAFHF-RTBURBONSA-N 1 1 433.601 0.901 20 0 ICADMO CCN1CC[NH+](CCCn2c(CN3CCCC3=O)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001547735330 1072342087 /nfs/dbraw/zinc/34/20/87/1072342087.db2.gz JNAWKHFZWVZVAE-GOSISDBHSA-N 1 1 446.600 0.095 20 0 ICADMO CCN1CC[NH+](CCCn2c(CN3CCCC3=O)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001547735338 1072342399 /nfs/dbraw/zinc/34/23/99/1072342399.db2.gz JNAWKHFZWVZVAE-SFHVURJKSA-N 1 1 446.600 0.095 20 0 ICADMO CCN1CC[NH+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001547735386 1072342250 /nfs/dbraw/zinc/34/22/50/1072342250.db2.gz QMABLQNVWXQDHK-MSOLQXFVSA-N 1 1 446.600 0.219 20 0 ICADMO CCN1CC[NH+](CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001547735388 1072342177 /nfs/dbraw/zinc/34/21/77/1072342177.db2.gz QMABLQNVWXQDHK-QZTJIDSGSA-N 1 1 446.600 0.219 20 0 ICADMO CCN1CC[NH+](CCCn2c(Cc3ccccn3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001547735389 1072342281 /nfs/dbraw/zinc/34/22/81/1072342281.db2.gz DCFRBVAZLDOBMQ-IBGZPJMESA-N 1 1 440.596 0.958 20 0 ICADMO CCN1CC[NH+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001547735390 1072342869 /nfs/dbraw/zinc/34/28/69/1072342869.db2.gz QMABLQNVWXQDHK-ROUUACIJSA-N 1 1 446.600 0.219 20 0 ICADMO CCN1CC[NH+](CCCn2c(Cc3ccccn3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001547735391 1072342120 /nfs/dbraw/zinc/34/21/20/1072342120.db2.gz DCFRBVAZLDOBMQ-LJQANCHMSA-N 1 1 440.596 0.958 20 0 ICADMO CCN1CC[NH+](CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001547735393 1072343056 /nfs/dbraw/zinc/34/30/56/1072343056.db2.gz QMABLQNVWXQDHK-ZWKOTPCHSA-N 1 1 446.600 0.219 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3cnccn3)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001547735482 1072342939 /nfs/dbraw/zinc/34/29/39/1072342939.db2.gz RKUXFAXTCCVOIH-UHFFFAOYSA-N 1 1 429.573 0.724 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3ccc[nH]3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001547735524 1072342956 /nfs/dbraw/zinc/34/29/56/1072342956.db2.gz SCKFNOLGVXFISY-UHFFFAOYSA-N 1 1 444.584 0.596 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3cnccn3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001547735752 1072342817 /nfs/dbraw/zinc/34/28/17/1072342817.db2.gz UEPVIEINRLVTDT-UHFFFAOYSA-N 1 1 427.557 0.431 20 0 ICADMO CCN1CC[NH+](CCCn2c(CC3CC3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001547736093 1072342972 /nfs/dbraw/zinc/34/29/72/1072342972.db2.gz MDDNWGVTOOQBGH-UHFFFAOYSA-N 1 1 433.601 0.553 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3cnccn3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001547736185 1072342797 /nfs/dbraw/zinc/34/27/97/1072342797.db2.gz YOFDREIVGFXGLF-UHFFFAOYSA-N 1 1 443.600 0.531 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3cccn3C)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001547736294 1072343140 /nfs/dbraw/zinc/34/31/40/1072343140.db2.gz ZTFGUERIZLXOQM-GOSISDBHSA-N 1 1 428.585 0.978 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3cccn3C)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001547736296 1072342755 /nfs/dbraw/zinc/34/27/55/1072342755.db2.gz ZTFGUERIZLXOQM-SFHVURJKSA-N 1 1 428.585 0.978 20 0 ICADMO CCN1CC[NH+](CCCn2c(CN3CCCC3=O)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001547736358 1072342894 /nfs/dbraw/zinc/34/28/94/1072342894.db2.gz RVQJAAIGWYEQTH-KDURUIRLSA-N 1 1 449.600 0.278 20 0 ICADMO CCN1CC[NH+](CCCn2c(CN3CCCC3=O)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001547736368 1072342850 /nfs/dbraw/zinc/34/28/50/1072342850.db2.gz RZRXWJJBEJNSEL-UHFFFAOYSA-N 1 1 446.600 0.097 20 0 ICADMO CCN1CC[NH+](CCCn2c(Cn3nc(C)cc3C)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001547736605 1072343113 /nfs/dbraw/zinc/34/31/13/1072343113.db2.gz VEZDZOPRXUJEFX-IBGZPJMESA-N 1 1 443.600 0.479 20 0 ICADMO CCN1CC[NH+](CCCn2c(Cc3cccnc3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001547736608 1072343087 /nfs/dbraw/zinc/34/30/87/1072343087.db2.gz SPDJRERBRFTQHQ-UHFFFAOYSA-N 1 1 440.596 0.960 20 0 ICADMO CCN1CC[NH+](CCCn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001547736612 1072342914 /nfs/dbraw/zinc/34/29/14/1072342914.db2.gz VEZDZOPRXUJEFX-LJQANCHMSA-N 1 1 443.600 0.479 20 0 ICADMO CCN1CC[NH+](CCCn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001547736636 1072342832 /nfs/dbraw/zinc/34/28/32/1072342832.db2.gz SYGLTPOCVVNCPS-MOPGFXCFSA-N 1 1 433.601 0.772 20 0 ICADMO CCN1CC[NH+](CCCn2c([C@H]3CCOC3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001547736646 1072343471 /nfs/dbraw/zinc/34/34/71/1072343471.db2.gz SYGLTPOCVVNCPS-OALUTQOASA-N 1 1 433.601 0.772 20 0 ICADMO CCN1CC[NH+](CCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001547736648 1072343395 /nfs/dbraw/zinc/34/33/95/1072343395.db2.gz SYGLTPOCVVNCPS-RBUKOAKNSA-N 1 1 433.601 0.772 20 0 ICADMO CCN1CC[NH+](CCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001547736649 1072343527 /nfs/dbraw/zinc/34/35/27/1072343527.db2.gz SYGLTPOCVVNCPS-RTBURBONSA-N 1 1 433.601 0.772 20 0 ICADMO CCN1CC[NH+](CCCn2c(Cc3ccncc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001547736786 1072343601 /nfs/dbraw/zinc/34/36/01/1072343601.db2.gz VWMJMEAJPOEOBO-IBGZPJMESA-N 1 1 426.569 0.603 20 0 ICADMO CCN1CC[NH+](CCCn2c(Cc3ccncc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001547736787 1072343348 /nfs/dbraw/zinc/34/33/48/1072343348.db2.gz VWMJMEAJPOEOBO-LJQANCHMSA-N 1 1 426.569 0.603 20 0 ICADMO CCNC(=O)C(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001547739295 1072343684 /nfs/dbraw/zinc/34/36/84/1072343684.db2.gz NDYPBOGPUXIKLF-KRWDZBQOSA-N 1 1 449.600 0.880 20 0 ICADMO CCNC(=O)C(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001547739295 1072343676 /nfs/dbraw/zinc/34/36/76/1072343676.db2.gz NDYPBOGPUXIKLF-KRWDZBQOSA-N 1 1 449.600 0.880 20 0 ICADMO CCNC(=O)C(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001547739297 1072343449 /nfs/dbraw/zinc/34/34/49/1072343449.db2.gz NDYPBOGPUXIKLF-QGZVFWFLSA-N 1 1 449.600 0.880 20 0 ICADMO CCNC(=O)C(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001547739297 1072343437 /nfs/dbraw/zinc/34/34/37/1072343437.db2.gz NDYPBOGPUXIKLF-QGZVFWFLSA-N 1 1 449.600 0.880 20 0 ICADMO CCNC(=O)C(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001547740059 1072344141 /nfs/dbraw/zinc/34/41/41/1072344141.db2.gz UZODSAZNOXTMBF-KRWDZBQOSA-N 1 1 449.600 0.737 20 0 ICADMO CCNC(=O)C(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001547740060 1072344023 /nfs/dbraw/zinc/34/40/23/1072344023.db2.gz UZODSAZNOXTMBF-QGZVFWFLSA-N 1 1 449.600 0.737 20 0 ICADMO CCNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001547745939 1072344571 /nfs/dbraw/zinc/34/45/71/1072344571.db2.gz GFURDFUKNOHNFU-IKGGRYGDSA-N 1 1 447.584 0.548 20 0 ICADMO CCNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001547745940 1072344603 /nfs/dbraw/zinc/34/46/03/1072344603.db2.gz GFURDFUKNOHNFU-IXDOHACOSA-N 1 1 447.584 0.548 20 0 ICADMO CCNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001547745941 1072344497 /nfs/dbraw/zinc/34/44/97/1072344497.db2.gz GFURDFUKNOHNFU-ULQDDVLXSA-N 1 1 447.584 0.548 20 0 ICADMO CCNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001547745942 1072344451 /nfs/dbraw/zinc/34/44/51/1072344451.db2.gz GFURDFUKNOHNFU-YESZJQIVSA-N 1 1 447.584 0.548 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001547763356 1072348083 /nfs/dbraw/zinc/34/80/83/1072348083.db2.gz GASQSXXLDBOFHX-UHFFFAOYSA-N 1 1 435.617 0.945 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001547763356 1072348068 /nfs/dbraw/zinc/34/80/68/1072348068.db2.gz GASQSXXLDBOFHX-UHFFFAOYSA-N 1 1 435.617 0.945 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001547763421 1072348287 /nfs/dbraw/zinc/34/82/87/1072348287.db2.gz IKAKUNRSUKQYOT-UHFFFAOYSA-N 1 1 448.616 0.549 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001547763589 1072348519 /nfs/dbraw/zinc/34/85/19/1072348519.db2.gz NKQXPPVGZLOCPP-UHFFFAOYSA-N 1 1 435.617 0.945 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001547763714 1072348530 /nfs/dbraw/zinc/34/85/30/1072348530.db2.gz RKAPKGYJHHHDHP-GOSISDBHSA-N 1 1 446.600 0.257 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001547763715 1072348701 /nfs/dbraw/zinc/34/87/01/1072348701.db2.gz RKAPKGYJHHHDHP-SFHVURJKSA-N 1 1 446.600 0.257 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(C(C)C)n2C[C@@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC001547763857 1072349186 /nfs/dbraw/zinc/34/91/86/1072349186.db2.gz WOWWFHGRIQINSR-FQEVSTJZSA-N 1 1 448.660 0.933 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(C(C)C)n2C[C@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC001547763858 1072349041 /nfs/dbraw/zinc/34/90/41/1072349041.db2.gz WOWWFHGRIQINSR-HXUWFJFHSA-N 1 1 448.660 0.933 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(-c3ccccc3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001547764450 1072348999 /nfs/dbraw/zinc/34/89/99/1072348999.db2.gz LBANYSLVJGVANC-IBGZPJMESA-N 1 1 441.580 0.924 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(-c3ccccc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001547764451 1072349125 /nfs/dbraw/zinc/34/91/25/1072349125.db2.gz LBANYSLVJGVANC-LJQANCHMSA-N 1 1 441.580 0.924 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2CCC[NH+]2CCOCC2)CC1 ZINC001547764510 1072349228 /nfs/dbraw/zinc/34/92/28/1072349228.db2.gz ASAFIQXAAYEJCQ-UHFFFAOYSA-N 1 1 430.557 0.254 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001547765965 1072350463 /nfs/dbraw/zinc/35/04/63/1072350463.db2.gz YBGSOTRNUOXXAO-UHFFFAOYSA-N 1 1 444.584 0.642 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001547765965 1072350454 /nfs/dbraw/zinc/35/04/54/1072350454.db2.gz YBGSOTRNUOXXAO-UHFFFAOYSA-N 1 1 444.584 0.642 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001547766085 1072350481 /nfs/dbraw/zinc/35/04/81/1072350481.db2.gz ZMIAQTDQLNYMIW-KRWDZBQOSA-N 1 1 430.557 0.252 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001547766087 1072350421 /nfs/dbraw/zinc/35/04/21/1072350421.db2.gz ZMIAQTDQLNYMIW-QGZVFWFLSA-N 1 1 430.557 0.252 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(C3CCCC3)n2CCC[NH+]2CCOCC2)CC1 ZINC001547766192 1072350546 /nfs/dbraw/zinc/35/05/46/1072350546.db2.gz BAYBMSXKPPBLLB-UHFFFAOYSA-N 1 1 433.601 0.916 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001547766372 1072350937 /nfs/dbraw/zinc/35/09/37/1072350937.db2.gz HIQSOUUWIACKKE-MSOLQXFVSA-N 1 1 446.600 0.219 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001547766373 1072351030 /nfs/dbraw/zinc/35/10/30/1072351030.db2.gz HIQSOUUWIACKKE-QZTJIDSGSA-N 1 1 446.600 0.219 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001547766374 1072351080 /nfs/dbraw/zinc/35/10/80/1072351080.db2.gz HIQSOUUWIACKKE-ROUUACIJSA-N 1 1 446.600 0.219 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001547766375 1072350898 /nfs/dbraw/zinc/35/08/98/1072350898.db2.gz HIQSOUUWIACKKE-ZWKOTPCHSA-N 1 1 446.600 0.219 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(-c3cnccn3)n2CC[N@@H+](CC)C(C)C)CC1 ZINC001547766806 1072351344 /nfs/dbraw/zinc/35/13/44/1072351344.db2.gz VSCACDPTRNKVJA-UHFFFAOYSA-N 1 1 429.573 0.724 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2CCCn2cc[nH+]c2C)CC1 ZINC001547767092 1072351927 /nfs/dbraw/zinc/35/19/27/1072351927.db2.gz CWJMLWCLNRKUIM-GOSISDBHSA-N 1 1 430.557 0.635 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2CCCn2cc[nH+]c2C)CC1 ZINC001547767093 1072351851 /nfs/dbraw/zinc/35/18/51/1072351851.db2.gz CWJMLWCLNRKUIM-SFHVURJKSA-N 1 1 430.557 0.635 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(CC3CC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001547768091 1072352801 /nfs/dbraw/zinc/35/28/01/1072352801.db2.gz FBCAIJVQDGWLTI-IBGZPJMESA-N 1 1 447.628 0.990 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(CC3CC3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001547768093 1072352879 /nfs/dbraw/zinc/35/28/79/1072352879.db2.gz FBCAIJVQDGWLTI-LJQANCHMSA-N 1 1 447.628 0.990 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(Cc3ccccn3)n2CCn2cc[nH+]c2C)CC1 ZINC001547768571 1072353547 /nfs/dbraw/zinc/35/35/47/1072353547.db2.gz KOYDFWPYHPRHGY-UHFFFAOYSA-N 1 1 437.552 0.727 20 0 ICADMO CCNC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001547768789 1072353297 /nfs/dbraw/zinc/35/32/97/1072353297.db2.gz LJWWHXZDWITZFQ-INIZCTEOSA-N 1 1 432.573 0.848 20 0 ICADMO CCNC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001547768790 1072353347 /nfs/dbraw/zinc/35/33/47/1072353347.db2.gz LJWWHXZDWITZFQ-MRXNPFEDSA-N 1 1 432.573 0.848 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001547768889 1072353885 /nfs/dbraw/zinc/35/38/85/1072353885.db2.gz OQMWTIGZURLQNT-UHFFFAOYSA-N 1 1 438.580 0.784 20 0 ICADMO CCNC(=O)CN1CCN(c2nnc(CC3CC3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001547769734 1072354329 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CCOC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001547797237 1072366865 /nfs/dbraw/zinc/36/68/65/1072366865.db2.gz QNXIBJFTPQAUPZ-INIZCTEOSA-N 1 1 430.513 0.734 20 0 ICADMO CCOC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001547797238 1072366938 /nfs/dbraw/zinc/36/69/38/1072366938.db2.gz QNXIBJFTPQAUPZ-MRXNPFEDSA-N 1 1 430.513 0.734 20 0 ICADMO CCOC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001547797518 1072366963 /nfs/dbraw/zinc/36/69/63/1072366963.db2.gz BSIXMZBPUQXWEI-DLBZAZTESA-N 1 1 449.556 0.476 20 0 ICADMO CCOC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001547797519 1072366779 /nfs/dbraw/zinc/36/67/79/1072366779.db2.gz BSIXMZBPUQXWEI-IAGOWNOFSA-N 1 1 449.556 0.476 20 0 ICADMO CCOC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001547797520 1072366986 /nfs/dbraw/zinc/36/69/86/1072366986.db2.gz BSIXMZBPUQXWEI-IRXDYDNUSA-N 1 1 449.556 0.476 20 0 ICADMO CCOC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001547797521 1072366813 /nfs/dbraw/zinc/36/68/13/1072366813.db2.gz BSIXMZBPUQXWEI-SJORKVTESA-N 1 1 449.556 0.476 20 0 ICADMO CCOC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001547798242 1072367240 /nfs/dbraw/zinc/36/72/40/1072367240.db2.gz MLXAVOWJCIQYHT-NRFANRHFSA-N 1 1 429.525 0.994 20 0 ICADMO CCOC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001547798250 1072367339 /nfs/dbraw/zinc/36/73/39/1072367339.db2.gz MLXAVOWJCIQYHT-OAQYLSRUSA-N 1 1 429.525 0.994 20 0 ICADMO CCO[C@@]1(c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCC2)CCOC1 ZINC001547858618 1072370984 /nfs/dbraw/zinc/37/09/84/1072370984.db2.gz ZMJZYARRLJKDPQ-APWZRJJASA-N 1 1 427.571 0.649 20 0 ICADMO CCO[C@@]1(c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCC2)CCOC1 ZINC001547858619 1072370843 /nfs/dbraw/zinc/37/08/43/1072370843.db2.gz ZMJZYARRLJKDPQ-LPHOPBHVSA-N 1 1 427.571 0.649 20 0 ICADMO CCO[C@]1(c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCC2)CCOC1 ZINC001547858620 1072371423 /nfs/dbraw/zinc/37/14/23/1072371423.db2.gz ZMJZYARRLJKDPQ-QFBILLFUSA-N 1 1 427.571 0.649 20 0 ICADMO CCO[C@]1(c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCC2)CCOC1 ZINC001547858621 1072371325 /nfs/dbraw/zinc/37/13/25/1072371325.db2.gz ZMJZYARRLJKDPQ-VQIMIIECSA-N 1 1 427.571 0.649 20 0 ICADMO CCO[C@]1(c2nnc(N(C)Cc3cnn(C)c3C)n2C[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001547861622 1072371875 /nfs/dbraw/zinc/37/18/75/1072371875.db2.gz WGGOEVBWHCDIFS-LEWJYISDSA-N 1 1 433.557 0.675 20 0 ICADMO CCO[C@]1(c2nnc(N(C)Cc3cnn(C)c3C)n2C[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001547861624 1072371787 /nfs/dbraw/zinc/37/17/87/1072371787.db2.gz WGGOEVBWHCDIFS-NHCUHLMSSA-N 1 1 433.557 0.675 20 0 ICADMO CCO[C@@]1(c2nnc(N(C)Cc3cnn(C)c3C)n2C[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001547861626 1072371928 /nfs/dbraw/zinc/37/19/28/1072371928.db2.gz WGGOEVBWHCDIFS-RTWAWAEBSA-N 1 1 433.557 0.675 20 0 ICADMO CCO[C@@]1(c2nnc(N(C)Cc3cnn(C)c3C)n2C[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001547861628 1072371856 /nfs/dbraw/zinc/37/18/56/1072371856.db2.gz WGGOEVBWHCDIFS-SFTDATJTSA-N 1 1 433.557 0.675 20 0 ICADMO CCO[C@]1(c2nnc(N(C)CCC(=O)NC)n2C[C@H]2CCn3cc[nH+]c3C2)CCOC1 ZINC001547868370 1072372277 /nfs/dbraw/zinc/37/22/77/1072372277.db2.gz KAFYRHCRQQTMIM-HRAATJIYSA-N 1 1 431.541 0.962 20 0 ICADMO CCO[C@@]1(c2nnc(N(C)CCC(=O)NC)n2C[C@@H]2CCn3cc[nH+]c3C2)CCOC1 ZINC001547868371 1072372190 /nfs/dbraw/zinc/37/21/90/1072372190.db2.gz KAFYRHCRQQTMIM-IERDGZPVSA-N 1 1 431.541 0.962 20 0 ICADMO CCO[C@]1(c2nnc(N(C)CCC(=O)NC)n2C[C@@H]2CCn3cc[nH+]c3C2)CCOC1 ZINC001547868372 1072372626 /nfs/dbraw/zinc/37/26/26/1072372626.db2.gz KAFYRHCRQQTMIM-IIBYNOLFSA-N 1 1 431.541 0.962 20 0 ICADMO CCO[C@@]1(c2nnc(N(C)CCC(=O)NC)n2C[C@H]2CCn3cc[nH+]c3C2)CCOC1 ZINC001547868373 1072372687 /nfs/dbraw/zinc/37/26/87/1072372687.db2.gz KAFYRHCRQQTMIM-KKSFZXQISA-N 1 1 431.541 0.962 20 0 ICADMO CCO[C@@]1(c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC(=O)N(C)C)CCOC1 ZINC001547870327 1072372654 /nfs/dbraw/zinc/37/26/54/1072372654.db2.gz FPRBWRHMXHDXOR-FVJLSDCUSA-N 1 1 438.573 0.564 20 0 ICADMO CCO[C@@]1(c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC(=O)N(C)C)CCOC1 ZINC001547870327 1072372651 /nfs/dbraw/zinc/37/26/51/1072372651.db2.gz FPRBWRHMXHDXOR-FVJLSDCUSA-N 1 1 438.573 0.564 20 0 ICADMO CCO[C@]1(c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC(=O)N(C)C)CCOC1 ZINC001547870330 1072372714 /nfs/dbraw/zinc/37/27/14/1072372714.db2.gz FPRBWRHMXHDXOR-LLGFUMIMSA-N 1 1 438.573 0.564 20 0 ICADMO CCO[C@]1(c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC(=O)N(C)C)CCOC1 ZINC001547870330 1072372712 /nfs/dbraw/zinc/37/27/12/1072372712.db2.gz FPRBWRHMXHDXOR-LLGFUMIMSA-N 1 1 438.573 0.564 20 0 ICADMO CCO[C@]1(c2nnc(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCC(=O)NC)CCOC1 ZINC001547877314 1072373700 /nfs/dbraw/zinc/37/37/00/1072373700.db2.gz KTYGELVIVKPEOW-CBGDNZLLSA-N 1 1 436.557 0.223 20 0 ICADMO CCO[C@]1(c2nnc(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCC(=O)NC)CCOC1 ZINC001547877315 1072373625 /nfs/dbraw/zinc/37/36/25/1072373625.db2.gz KTYGELVIVKPEOW-CSODHUTKSA-N 1 1 436.557 0.223 20 0 ICADMO CCO[C@]1(c2nnc(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)n2CCC(=O)NC)CCOC1 ZINC001547877316 1072373663 /nfs/dbraw/zinc/37/36/63/1072373663.db2.gz KTYGELVIVKPEOW-LLGFUMIMSA-N 1 1 436.557 0.223 20 0 ICADMO CCO[C@]1(c2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2CCC(=O)NC)CCOC1 ZINC001547877317 1072373737 /nfs/dbraw/zinc/37/37/37/1072373737.db2.gz KTYGELVIVKPEOW-XGHQBKJUSA-N 1 1 436.557 0.223 20 0 ICADMO CCO[C@]1(c2nnc(N3CC[C@@H](C(=O)OC)C3)n2CCC[NH+]2CCOCC2)CCOC1 ZINC001547883662 1072375428 /nfs/dbraw/zinc/37/54/28/1072375428.db2.gz CYGQJFOADXMQLF-DYESRHJHSA-N 1 1 437.541 0.652 20 0 ICADMO CCO[C@]1(c2nnc(N3CC[C@H](C(=O)OC)C3)n2CCC[NH+]2CCOCC2)CCOC1 ZINC001547883665 1072375412 /nfs/dbraw/zinc/37/54/12/1072375412.db2.gz CYGQJFOADXMQLF-LAUBAEHRSA-N 1 1 437.541 0.652 20 0 ICADMO CCO[C@@]1(c2nnc(N3CC[C@@H](C(=O)OC)C3)n2CCC[NH+]2CCOCC2)CCOC1 ZINC001547883667 1072375214 /nfs/dbraw/zinc/37/52/14/1072375214.db2.gz CYGQJFOADXMQLF-UTKZUKDTSA-N 1 1 437.541 0.652 20 0 ICADMO CCO[C@@]1(c2nnc(N3CC[C@H](C(=O)OC)C3)n2CCC[NH+]2CCOCC2)CCOC1 ZINC001547883668 1072375444 /nfs/dbraw/zinc/37/54/44/1072375444.db2.gz CYGQJFOADXMQLF-UWJYYQICSA-N 1 1 437.541 0.652 20 0 ICADMO CCO[C@]1(c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CC[N@@H+](C)[C@H](C)CC)CCOC1 ZINC001547916062 1072387414 /nfs/dbraw/zinc/38/74/14/1072387414.db2.gz GOMTZDHSVBFQHD-CBGDNZLLSA-N 1 1 435.573 0.874 20 0 ICADMO CCO[C@]1(c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CC[N@@H+](C)[C@@H](C)CC)CCOC1 ZINC001547916064 1072387515 /nfs/dbraw/zinc/38/75/15/1072387515.db2.gz GOMTZDHSVBFQHD-CSODHUTKSA-N 1 1 435.573 0.874 20 0 ICADMO CCO[C@]1(c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CC[N@@H+](C)[C@H](C)CC)CCOC1 ZINC001547916066 1072387497 /nfs/dbraw/zinc/38/74/97/1072387497.db2.gz GOMTZDHSVBFQHD-LLGFUMIMSA-N 1 1 435.573 0.874 20 0 ICADMO CCO[C@]1(c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CC[N@@H+](C)[C@@H](C)CC)CCOC1 ZINC001547916067 1072387559 /nfs/dbraw/zinc/38/75/59/1072387559.db2.gz GOMTZDHSVBFQHD-XGHQBKJUSA-N 1 1 435.573 0.874 20 0 ICADMO CCO[C@]1(c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2C[C@@H](COC)OC)CCOC1 ZINC001547916369 1072387575 /nfs/dbraw/zinc/38/75/75/1072387575.db2.gz HWYCLPNCMCSEQR-ABSDTBQOSA-N 1 1 425.530 0.112 20 0 ICADMO CCO[C@]1(c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2C[C@@H](COC)OC)CCOC1 ZINC001547916369 1072387572 /nfs/dbraw/zinc/38/75/72/1072387572.db2.gz HWYCLPNCMCSEQR-ABSDTBQOSA-N 1 1 425.530 0.112 20 0 ICADMO CCO[C@]1(c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2C[C@@H](COC)OC)CCOC1 ZINC001547916370 1072387635 /nfs/dbraw/zinc/38/76/35/1072387635.db2.gz HWYCLPNCMCSEQR-FUHIMQAGSA-N 1 1 425.530 0.112 20 0 ICADMO CCO[C@]1(c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2C[C@@H](COC)OC)CCOC1 ZINC001547916370 1072387627 /nfs/dbraw/zinc/38/76/27/1072387627.db2.gz HWYCLPNCMCSEQR-FUHIMQAGSA-N 1 1 425.530 0.112 20 0 ICADMO CCO[C@]1(c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2C[C@H](COC)OC)CCOC1 ZINC001547916371 1072387454 /nfs/dbraw/zinc/38/74/54/1072387454.db2.gz HWYCLPNCMCSEQR-MBOZVWFJSA-N 1 1 425.530 0.112 20 0 ICADMO CCO[C@]1(c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2C[C@H](COC)OC)CCOC1 ZINC001547916371 1072387446 /nfs/dbraw/zinc/38/74/46/1072387446.db2.gz HWYCLPNCMCSEQR-MBOZVWFJSA-N 1 1 425.530 0.112 20 0 ICADMO CCO[C@]1(c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2C[C@H](COC)OC)CCOC1 ZINC001547916372 1072387394 /nfs/dbraw/zinc/38/73/94/1072387394.db2.gz HWYCLPNCMCSEQR-SQGPQFPESA-N 1 1 425.530 0.112 20 0 ICADMO CCO[C@]1(c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2C[C@H](COC)OC)CCOC1 ZINC001547916372 1072387389 /nfs/dbraw/zinc/38/73/89/1072387389.db2.gz HWYCLPNCMCSEQR-SQGPQFPESA-N 1 1 425.530 0.112 20 0 ICADMO CCO[C@]1(c2nnc(N3CC[N@@H+](CCOC)[C@H](C)C3)n2CCC(=O)N(C)C)CCOC1 ZINC001547916431 1072388036 /nfs/dbraw/zinc/38/80/36/1072388036.db2.gz ISTQMDYUVLROGV-DYESRHJHSA-N 1 1 438.573 0.565 20 0 ICADMO CCO[C@]1(c2nnc(N3CC[N@@H+](CCOC)[C@@H](C)C3)n2CCC(=O)N(C)C)CCOC1 ZINC001547916432 1072387973 /nfs/dbraw/zinc/38/79/73/1072387973.db2.gz ISTQMDYUVLROGV-LAUBAEHRSA-N 1 1 438.573 0.565 20 0 ICADMO CCO[C@@]1(c2nnc(N3CC[N@@H+](CCOC)[C@H](C)C3)n2CCC(=O)N(C)C)CCOC1 ZINC001547916433 1072388130 /nfs/dbraw/zinc/38/81/30/1072388130.db2.gz ISTQMDYUVLROGV-UTKZUKDTSA-N 1 1 438.573 0.565 20 0 ICADMO CCO[C@@]1(c2nnc(N3CC[N@@H+](CCOC)[C@@H](C)C3)n2CCC(=O)N(C)C)CCOC1 ZINC001547916434 1072388116 /nfs/dbraw/zinc/38/81/16/1072388116.db2.gz ISTQMDYUVLROGV-UWJYYQICSA-N 1 1 438.573 0.565 20 0 ICADMO CCO[C@]1(c2nnc(N3CC[N@@H+](CCOC)[C@H](C)C3)n2Cc2ccn(C)n2)CCOC1 ZINC001547917171 1072388479 /nfs/dbraw/zinc/38/84/79/1072388479.db2.gz NRNMTLFKIAWHHO-DYESRHJHSA-N 1 1 433.557 0.869 20 0 ICADMO CCO[C@]1(c2nnc(N3CC[N@@H+](CCOC)[C@@H](C)C3)n2Cc2ccn(C)n2)CCOC1 ZINC001547917172 1072388555 /nfs/dbraw/zinc/38/85/55/1072388555.db2.gz NRNMTLFKIAWHHO-LAUBAEHRSA-N 1 1 433.557 0.869 20 0 ICADMO CCO[C@@]1(c2nnc(N3CC[N@@H+](CCOC)[C@H](C)C3)n2Cc2ccn(C)n2)CCOC1 ZINC001547917173 1072388619 /nfs/dbraw/zinc/38/86/19/1072388619.db2.gz NRNMTLFKIAWHHO-UTKZUKDTSA-N 1 1 433.557 0.869 20 0 ICADMO CCO[C@@]1(c2nnc(N3CC[N@@H+](CCOC)[C@@H](C)C3)n2Cc2ccn(C)n2)CCOC1 ZINC001547917174 1072388655 /nfs/dbraw/zinc/38/86/55/1072388655.db2.gz NRNMTLFKIAWHHO-UWJYYQICSA-N 1 1 433.557 0.869 20 0 ICADMO CCO[C@]1(c2nnc(N3CCNC(=O)C3)n2CC2CCN(CC[NH+](C)C)CC2)CCOC1 ZINC001547917700 1072388944 /nfs/dbraw/zinc/38/89/44/1072388944.db2.gz QVDGORDKYOEUFX-JOCHJYFZSA-N 1 1 449.600 0.140 20 0 ICADMO CCO[C@@]1(c2nnc(N3CCNC(=O)C3)n2CC2CCN(CC[NH+](C)C)CC2)CCOC1 ZINC001547917709 1072388892 /nfs/dbraw/zinc/38/88/92/1072388892.db2.gz QVDGORDKYOEUFX-QFIPXVFZSA-N 1 1 449.600 0.140 20 0 ICADMO CCO[C@]1(c2nnc(N3CC[NH+](CCOC)CC3)n2C[C@@]2(C)COCCO2)CCOC1 ZINC001547917712 1072389094 /nfs/dbraw/zinc/38/90/94/1072389094.db2.gz QVFBNKHBORLWGF-LEWJYISDSA-N 1 1 439.557 0.504 20 0 ICADMO CCO[C@]1(c2nnc(N3CC[NH+](CCOC)CC3)n2C[C@]2(C)COCCO2)CCOC1 ZINC001547917715 1072389115 /nfs/dbraw/zinc/38/91/15/1072389115.db2.gz QVFBNKHBORLWGF-NHCUHLMSSA-N 1 1 439.557 0.504 20 0 ICADMO CCO[C@@]1(c2nnc(N3CC[NH+](CCOC)CC3)n2C[C@]2(C)COCCO2)CCOC1 ZINC001547917718 1072389075 /nfs/dbraw/zinc/38/90/75/1072389075.db2.gz QVFBNKHBORLWGF-RTWAWAEBSA-N 1 1 439.557 0.504 20 0 ICADMO CCO[C@@]1(c2nnc(N3CC[NH+](CCOC)CC3)n2C[C@@]2(C)COCCO2)CCOC1 ZINC001547917720 1072389058 /nfs/dbraw/zinc/38/90/58/1072389058.db2.gz QVFBNKHBORLWGF-SFTDATJTSA-N 1 1 439.557 0.504 20 0 ICADMO CCO[C@]1(c2nnc(N3CC[N@@H+](CCOC)[C@H](C)C3)n2C[C@]2(O)CCOC2)CCOC1 ZINC001547918349 1072389907 /nfs/dbraw/zinc/38/99/07/1072389907.db2.gz UUMBERAWQCOVRO-DUXKGJEZSA-N 1 1 439.557 0.239 20 0 ICADMO CCO[C@]1(c2nnc(N3CC[N@@H+](CCOC)[C@@H](C)C3)n2C[C@@]2(O)CCOC2)CCOC1 ZINC001547918350 1072389937 /nfs/dbraw/zinc/38/99/37/1072389937.db2.gz UUMBERAWQCOVRO-DZFGPLHGSA-N 1 1 439.557 0.239 20 0 ICADMO CCO[C@]1(c2nnc(N3CC[N@@H+](CCOC)[C@@H](C)C3)n2C[C@]2(O)CCOC2)CCOC1 ZINC001547918351 1072390142 /nfs/dbraw/zinc/39/01/42/1072390142.db2.gz UUMBERAWQCOVRO-IOMROCGXSA-N 1 1 439.557 0.239 20 0 ICADMO CCO[C@]1(c2nnc(N3CC[N@@H+](CCOC)[C@H](C)C3)n2C[C@@]2(O)CCOC2)CCOC1 ZINC001547918352 1072390031 /nfs/dbraw/zinc/39/00/31/1072390031.db2.gz UUMBERAWQCOVRO-JRGCBEDISA-N 1 1 439.557 0.239 20 0 ICADMO CCO[C@@]1(c2nnc(N3CC[NH+](CCOC)CC3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 ZINC001547918505 1072390008 /nfs/dbraw/zinc/39/00/08/1072390008.db2.gz VPQHWEJHXATPFZ-UEXGIBASSA-N 1 1 439.557 0.239 20 0 ICADMO CCO[C@]1(c2nnc(N3CC[NH+](CCOC)CC3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 ZINC001547918506 1072390109 /nfs/dbraw/zinc/39/01/09/1072390109.db2.gz VPQHWEJHXATPFZ-WAOWUJCRSA-N 1 1 439.557 0.239 20 0 ICADMO CCO[C@]1(c2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2CC(=O)N(C)C)CCOC1 ZINC001547918874 1072390070 /nfs/dbraw/zinc/39/00/70/1072390070.db2.gz YSULMTJVEJSTNB-DYESRHJHSA-N 1 1 436.557 0.319 20 0 ICADMO CCO[C@]1(c2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2CC(=O)N(C)C)CCOC1 ZINC001547918876 1072389974 /nfs/dbraw/zinc/38/99/74/1072389974.db2.gz YSULMTJVEJSTNB-LAUBAEHRSA-N 1 1 436.557 0.319 20 0 ICADMO CCO[C@@]1(c2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2CC(=O)N(C)C)CCOC1 ZINC001547918878 1072389884 /nfs/dbraw/zinc/38/98/84/1072389884.db2.gz YSULMTJVEJSTNB-UTKZUKDTSA-N 1 1 436.557 0.319 20 0 ICADMO CCO[C@@]1(c2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2CC(=O)N(C)C)CCOC1 ZINC001547918880 1072390190 /nfs/dbraw/zinc/39/01/90/1072390190.db2.gz YSULMTJVEJSTNB-UWJYYQICSA-N 1 1 436.557 0.319 20 0 ICADMO CCO[C@@]1(c2nnc(N3CC[NH+](CCOC)CC3)n2Cc2cc(C)nn2C)CCOC1 ZINC001547918911 1072390678 /nfs/dbraw/zinc/39/06/78/1072390678.db2.gz ZALAAQYZNIZMCZ-NRFANRHFSA-N 1 1 433.557 0.789 20 0 ICADMO CCO[C@]1(c2nnc(N3CC[NH+](CCOC)CC3)n2Cc2cc(C)nn2C)CCOC1 ZINC001547918912 1072390742 /nfs/dbraw/zinc/39/07/42/1072390742.db2.gz ZALAAQYZNIZMCZ-OAQYLSRUSA-N 1 1 433.557 0.789 20 0 ICADMO CCO[C@@]1(c2nnc(N3CCS(=O)(=O)CC3)n2CC[N@@H+](CC)C(C)C)CCOC1 ZINC001547924404 1072393504 /nfs/dbraw/zinc/39/35/04/1072393504.db2.gz TYKLPJGAXPPRFK-IBGZPJMESA-N 1 1 429.587 0.895 20 0 ICADMO CCO[C@]1(c2nnc(N3CCS(=O)(=O)CC3)n2CC[N@@H+](CC)C(C)C)CCOC1 ZINC001547924407 1072393405 /nfs/dbraw/zinc/39/34/05/1072393405.db2.gz TYKLPJGAXPPRFK-LJQANCHMSA-N 1 1 429.587 0.895 20 0 ICADMO CCO[C@@]1(c2nnc(N3CCS(=O)(=O)CC3)n2CC[N@H+]2CCC[C@H]2C)CCOC1 ZINC001547924951 1072393598 /nfs/dbraw/zinc/39/35/98/1072393598.db2.gz WWYNZHUOWHDLCS-APWZRJJASA-N 1 1 427.571 0.649 20 0 ICADMO CCO[C@@]1(c2nnc(N3CCS(=O)(=O)CC3)n2CC[N@@H+]2CCC[C@H]2C)CCOC1 ZINC001547924951 1072393588 /nfs/dbraw/zinc/39/35/88/1072393588.db2.gz WWYNZHUOWHDLCS-APWZRJJASA-N 1 1 427.571 0.649 20 0 ICADMO CCO[C@@]1(c2nnc(N3CCS(=O)(=O)CC3)n2CC[N@H+]2CCC[C@@H]2C)CCOC1 ZINC001547924952 1072393682 /nfs/dbraw/zinc/39/36/82/1072393682.db2.gz WWYNZHUOWHDLCS-LPHOPBHVSA-N 1 1 427.571 0.649 20 0 ICADMO CCO[C@@]1(c2nnc(N3CCS(=O)(=O)CC3)n2CC[N@@H+]2CCC[C@@H]2C)CCOC1 ZINC001547924952 1072393678 /nfs/dbraw/zinc/39/36/78/1072393678.db2.gz WWYNZHUOWHDLCS-LPHOPBHVSA-N 1 1 427.571 0.649 20 0 ICADMO CCO[C@]1(c2nnc(N3CCS(=O)(=O)CC3)n2CC[N@H+]2CCC[C@@H]2C)CCOC1 ZINC001547924953 1072394098 /nfs/dbraw/zinc/39/40/98/1072394098.db2.gz WWYNZHUOWHDLCS-QFBILLFUSA-N 1 1 427.571 0.649 20 0 ICADMO CCO[C@]1(c2nnc(N3CCS(=O)(=O)CC3)n2CC[N@@H+]2CCC[C@@H]2C)CCOC1 ZINC001547924953 1072394087 /nfs/dbraw/zinc/39/40/87/1072394087.db2.gz WWYNZHUOWHDLCS-QFBILLFUSA-N 1 1 427.571 0.649 20 0 ICADMO CCO[C@]1(c2nnc(N3CCS(=O)(=O)CC3)n2CC[N@H+]2CCC[C@H]2C)CCOC1 ZINC001547924954 1072393993 /nfs/dbraw/zinc/39/39/93/1072393993.db2.gz WWYNZHUOWHDLCS-VQIMIIECSA-N 1 1 427.571 0.649 20 0 ICADMO CCO[C@]1(c2nnc(N3CCS(=O)(=O)CC3)n2CC[N@@H+]2CCC[C@H]2C)CCOC1 ZINC001547924954 1072393990 /nfs/dbraw/zinc/39/39/90/1072393990.db2.gz WWYNZHUOWHDLCS-VQIMIIECSA-N 1 1 427.571 0.649 20 0 ICADMO CCO[C@]1(c2nnc(N3C[C@@H](OC)[C@@H](OC)C3)n2CCC[NH+]2CCOCC2)CCOC1 ZINC001547927273 1072395593 /nfs/dbraw/zinc/39/55/93/1072395593.db2.gz MUGFVFDAISGSKX-LVCYWYKZSA-N 1 1 439.557 0.503 20 0 ICADMO CCO[C@@]1(c2nnc(N3C[C@@H](OC)[C@@H](OC)C3)n2CCC[NH+]2CCOCC2)CCOC1 ZINC001547927274 1072395636 /nfs/dbraw/zinc/39/56/36/1072395636.db2.gz MUGFVFDAISGSKX-UEXGIBASSA-N 1 1 439.557 0.503 20 0 ICADMO CCOc1cc(C)nc(N2CCN(c3nnc(CC)n3C[C@]3(O)CC[N@@H+](C)C3)CC2)n1 ZINC001547938388 1072396113 /nfs/dbraw/zinc/39/61/13/1072396113.db2.gz LGEYUKYESONPGV-NRFANRHFSA-N 1 1 430.557 0.731 20 0 ICADMO CCOc1cc(C)nc(N2CCN(c3nnc(CC)n3C[C@@]3(O)CC[N@@H+](C)C3)CC2)n1 ZINC001547938389 1072396015 /nfs/dbraw/zinc/39/60/15/1072396015.db2.gz LGEYUKYESONPGV-OAQYLSRUSA-N 1 1 430.557 0.731 20 0 ICADMO CCOc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001547955263 1072396089 /nfs/dbraw/zinc/39/60/89/1072396089.db2.gz LCEHLAVOGTUQBC-JOCHJYFZSA-N 1 1 444.536 0.697 20 0 ICADMO CCOc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001547955273 1072396039 /nfs/dbraw/zinc/39/60/39/1072396039.db2.gz LCEHLAVOGTUQBC-QFIPXVFZSA-N 1 1 444.536 0.697 20 0 ICADMO CCOc1ccc(O[C@@H](C)c2nnc(N3CCNC(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001547981049 1072396582 /nfs/dbraw/zinc/39/65/82/1072396582.db2.gz QYSPDTUKNJKSLW-AOMKIAJQSA-N 1 1 444.536 0.820 20 0 ICADMO CCOc1ccc(O[C@@H](C)c2nnc(N3CCNC(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001547981050 1072396599 /nfs/dbraw/zinc/39/65/99/1072396599.db2.gz QYSPDTUKNJKSLW-KSFYIVLOSA-N 1 1 444.536 0.820 20 0 ICADMO CCOc1ccc(O[C@H](C)c2nnc(N3CCNC(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001547981051 1072396529 /nfs/dbraw/zinc/39/65/29/1072396529.db2.gz QYSPDTUKNJKSLW-OPAMFIHVSA-N 1 1 444.536 0.820 20 0 ICADMO CCOc1ccc(O[C@H](C)c2nnc(N3CCNC(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001547981053 1072396551 /nfs/dbraw/zinc/39/65/51/1072396551.db2.gz QYSPDTUKNJKSLW-ZHRRBRCNSA-N 1 1 444.536 0.820 20 0 ICADMO CCOc1ccccc1OCc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC(=O)N(C)C ZINC001548005793 1072397014 /nfs/dbraw/zinc/39/70/14/1072397014.db2.gz TUJILXVCCQGFTF-KRWDZBQOSA-N 1 1 444.536 0.865 20 0 ICADMO CCOc1ccccc1OCc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC(=O)N(C)C ZINC001548005793 1072397002 /nfs/dbraw/zinc/39/70/02/1072397002.db2.gz TUJILXVCCQGFTF-KRWDZBQOSA-N 1 1 444.536 0.865 20 0 ICADMO CCOc1ccccc1OCc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC(=O)N(C)C ZINC001548005794 1072397061 /nfs/dbraw/zinc/39/70/61/1072397061.db2.gz TUJILXVCCQGFTF-QGZVFWFLSA-N 1 1 444.536 0.865 20 0 ICADMO CCOc1ccccc1OCc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC(=O)N(C)C ZINC001548005794 1072397054 /nfs/dbraw/zinc/39/70/54/1072397054.db2.gz TUJILXVCCQGFTF-QGZVFWFLSA-N 1 1 444.536 0.865 20 0 ICADMO CCOC1CC(O)(Cn2c(C(=O)NC(C)C)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC001548036100 1072398425 /nfs/dbraw/zinc/39/84/25/1072398425.db2.gz GOTBFSNHAZGFQT-BQJIDLTASA-N 1 1 438.573 0.503 20 0 ICADMO CCOC1CC(O)(Cn2c(C(=O)NC(C)C)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)C1 ZINC001548036101 1072398544 /nfs/dbraw/zinc/39/85/44/1072398544.db2.gz GOTBFSNHAZGFQT-ZGGTZUKQSA-N 1 1 438.573 0.503 20 0 ICADMO CCO[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001548044479 1072401097 /nfs/dbraw/zinc/40/10/97/1072401097.db2.gz WRXIDILELZQNBK-HRAATJIYSA-N 1 1 429.525 0.997 20 0 ICADMO CCO[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001548044482 1072401171 /nfs/dbraw/zinc/40/11/71/1072401171.db2.gz WRXIDILELZQNBK-IERDGZPVSA-N 1 1 429.525 0.997 20 0 ICADMO CCO[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001548044484 1072401083 /nfs/dbraw/zinc/40/10/83/1072401083.db2.gz WRXIDILELZQNBK-IIBYNOLFSA-N 1 1 429.525 0.997 20 0 ICADMO CCO[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001548044486 1072401224 /nfs/dbraw/zinc/40/12/24/1072401224.db2.gz WRXIDILELZQNBK-KKSFZXQISA-N 1 1 429.525 0.997 20 0 ICADMO CCOCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001548059431 1072401797 /nfs/dbraw/zinc/40/17/97/1072401797.db2.gz MVLMMQAPWINIAK-CVEARBPZSA-N 1 1 444.602 0.472 20 0 ICADMO CCOCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001548059431 1072401793 /nfs/dbraw/zinc/40/17/93/1072401793.db2.gz MVLMMQAPWINIAK-CVEARBPZSA-N 1 1 444.602 0.472 20 0 ICADMO CCOCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001548059432 1072401766 /nfs/dbraw/zinc/40/17/66/1072401766.db2.gz MVLMMQAPWINIAK-HOTGVXAUSA-N 1 1 444.602 0.472 20 0 ICADMO CCOCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001548059432 1072401762 /nfs/dbraw/zinc/40/17/62/1072401762.db2.gz MVLMMQAPWINIAK-HOTGVXAUSA-N 1 1 444.602 0.472 20 0 ICADMO CCOCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001548059433 1072401844 /nfs/dbraw/zinc/40/18/44/1072401844.db2.gz MVLMMQAPWINIAK-HZPDHXFCSA-N 1 1 444.602 0.472 20 0 ICADMO CCOCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001548059433 1072401837 /nfs/dbraw/zinc/40/18/37/1072401837.db2.gz MVLMMQAPWINIAK-HZPDHXFCSA-N 1 1 444.602 0.472 20 0 ICADMO CCOCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001548059434 1072401860 /nfs/dbraw/zinc/40/18/60/1072401860.db2.gz MVLMMQAPWINIAK-JKSUJKDBSA-N 1 1 444.602 0.472 20 0 ICADMO CCOCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001548059434 1072401857 /nfs/dbraw/zinc/40/18/57/1072401857.db2.gz MVLMMQAPWINIAK-JKSUJKDBSA-N 1 1 444.602 0.472 20 0 ICADMO CCOCc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001548079167 1072402895 /nfs/dbraw/zinc/40/28/95/1072402895.db2.gz KNYHLXQCWASTKL-DLBZAZTESA-N 1 1 429.587 0.939 20 0 ICADMO CCOCc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001548079169 1072402845 /nfs/dbraw/zinc/40/28/45/1072402845.db2.gz KNYHLXQCWASTKL-IAGOWNOFSA-N 1 1 429.587 0.939 20 0 ICADMO CCOCc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001548079171 1072402969 /nfs/dbraw/zinc/40/29/69/1072402969.db2.gz KNYHLXQCWASTKL-IRXDYDNUSA-N 1 1 429.587 0.939 20 0 ICADMO CCOCc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001548079173 1072402880 /nfs/dbraw/zinc/40/28/80/1072402880.db2.gz KNYHLXQCWASTKL-SJORKVTESA-N 1 1 429.587 0.939 20 0 ICADMO CCOCc1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001548094863 1072404080 /nfs/dbraw/zinc/40/40/80/1072404080.db2.gz XCDVSYBYAVHJNQ-KRWDZBQOSA-N 1 1 442.630 0.854 20 0 ICADMO CCOCc1nnc(N(CC)[C@@H]2CCS(=O)(=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001548094864 1072404017 /nfs/dbraw/zinc/40/40/17/1072404017.db2.gz XCDVSYBYAVHJNQ-QGZVFWFLSA-N 1 1 442.630 0.854 20 0 ICADMO CCOCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC(=O)NC(C)C ZINC001548098622 1072404762 /nfs/dbraw/zinc/40/47/62/1072404762.db2.gz CCVQNTXSJYXVIH-HKUYNNGSSA-N 1 1 449.600 0.718 20 0 ICADMO CCOCc1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC(=O)NC(C)C ZINC001548098623 1072404805 /nfs/dbraw/zinc/40/48/05/1072404805.db2.gz CCVQNTXSJYXVIH-IEBWSBKVSA-N 1 1 449.600 0.718 20 0 ICADMO CCOCc1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC(=O)NC(C)C ZINC001548098624 1072404834 /nfs/dbraw/zinc/40/48/34/1072404834.db2.gz CCVQNTXSJYXVIH-MJGOQNOKSA-N 1 1 449.600 0.718 20 0 ICADMO CCOCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC(=O)NC(C)C ZINC001548098625 1072404697 /nfs/dbraw/zinc/40/46/97/1072404697.db2.gz CCVQNTXSJYXVIH-PKOBYXMFSA-N 1 1 449.600 0.718 20 0 ICADMO CCOCc1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1cnnn1C ZINC001548098859 1072404643 /nfs/dbraw/zinc/40/46/43/1072404643.db2.gz GGWOCWXGQSOMAI-APWZRJJASA-N 1 1 445.572 0.370 20 0 ICADMO CCOCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1cnnn1C ZINC001548098860 1072404778 /nfs/dbraw/zinc/40/47/78/1072404778.db2.gz GGWOCWXGQSOMAI-LPHOPBHVSA-N 1 1 445.572 0.370 20 0 ICADMO CCOCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1cnnn1C ZINC001548098861 1072404627 /nfs/dbraw/zinc/40/46/27/1072404627.db2.gz GGWOCWXGQSOMAI-QFBILLFUSA-N 1 1 445.572 0.370 20 0 ICADMO CCOCc1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1cnnn1C ZINC001548098862 1072404715 /nfs/dbraw/zinc/40/47/15/1072404715.db2.gz GGWOCWXGQSOMAI-VQIMIIECSA-N 1 1 445.572 0.370 20 0 ICADMO CCOCc1nnc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001548100005 1072404826 /nfs/dbraw/zinc/40/48/26/1072404826.db2.gz UPVBEJNDHHVDPZ-AABGKKOBSA-N 1 1 436.601 0.940 20 0 ICADMO CCOCc1nnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001548100006 1072404790 /nfs/dbraw/zinc/40/47/90/1072404790.db2.gz UPVBEJNDHHVDPZ-HSALFYBXSA-N 1 1 436.601 0.940 20 0 ICADMO CCOCc1nnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001548100007 1072404665 /nfs/dbraw/zinc/40/46/65/1072404665.db2.gz UPVBEJNDHHVDPZ-SLFFLAALSA-N 1 1 436.601 0.940 20 0 ICADMO CCOCc1nnc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001548100009 1072404747 /nfs/dbraw/zinc/40/47/47/1072404747.db2.gz UPVBEJNDHHVDPZ-UFYCRDLUSA-N 1 1 436.601 0.940 20 0 ICADMO CCOCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CCC(=O)NC(C)C ZINC001548100352 1072405367 /nfs/dbraw/zinc/40/53/67/1072405367.db2.gz XCKFQSZHILFXLK-HKUYNNGSSA-N 1 1 449.600 0.718 20 0 ICADMO CCOCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCC(=O)NC(C)C ZINC001548100354 1072405448 /nfs/dbraw/zinc/40/54/48/1072405448.db2.gz XCKFQSZHILFXLK-IEBWSBKVSA-N 1 1 449.600 0.718 20 0 ICADMO CCOCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCC(=O)NC(C)C ZINC001548100356 1072405250 /nfs/dbraw/zinc/40/52/50/1072405250.db2.gz XCKFQSZHILFXLK-MJGOQNOKSA-N 1 1 449.600 0.718 20 0 ICADMO CCOCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCC(=O)NC(C)C ZINC001548100358 1072405357 /nfs/dbraw/zinc/40/53/57/1072405357.db2.gz XCKFQSZHILFXLK-PKOBYXMFSA-N 1 1 449.600 0.718 20 0 ICADMO CCOCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1C[C@H]1COCCO1 ZINC001548100360 1072405342 /nfs/dbraw/zinc/40/53/42/1072405342.db2.gz XCWPZRIHHOJPGB-NEWSRXKRSA-N 1 1 436.557 0.219 20 0 ICADMO CCOCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1C[C@H]1COCCO1 ZINC001548100361 1072405426 /nfs/dbraw/zinc/40/54/26/1072405426.db2.gz XCWPZRIHHOJPGB-NZSAHSFTSA-N 1 1 436.557 0.219 20 0 ICADMO CCOCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1C[C@@H]1COCCO1 ZINC001548100362 1072405386 /nfs/dbraw/zinc/40/53/86/1072405386.db2.gz XCWPZRIHHOJPGB-QXAKKESOSA-N 1 1 436.557 0.219 20 0 ICADMO CCOCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H]1COCCO1 ZINC001548100364 1072405265 /nfs/dbraw/zinc/40/52/65/1072405265.db2.gz XCWPZRIHHOJPGB-UHOSZYNNSA-N 1 1 436.557 0.219 20 0 ICADMO CCOCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H]1COCCO1 ZINC001548100365 1072405407 /nfs/dbraw/zinc/40/54/07/1072405407.db2.gz XCWPZRIHHOJPGB-WDSOQIARSA-N 1 1 436.557 0.219 20 0 ICADMO CCOCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1C[C@H]1COCCO1 ZINC001548100366 1072405455 /nfs/dbraw/zinc/40/54/55/1072405455.db2.gz XCWPZRIHHOJPGB-YTQUADARSA-N 1 1 436.557 0.219 20 0 ICADMO CCOCc1nnc(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001548104512 1072405311 /nfs/dbraw/zinc/40/53/11/1072405311.db2.gz QQTLYWDJKRNCME-AOMKIAJQSA-N 1 1 447.536 0.952 20 0 ICADMO CCOCc1nnc(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001548104513 1072405464 /nfs/dbraw/zinc/40/54/64/1072405464.db2.gz QQTLYWDJKRNCME-KSFYIVLOSA-N 1 1 447.536 0.952 20 0 ICADMO CCOCc1nnc(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001548104514 1072405438 /nfs/dbraw/zinc/40/54/38/1072405438.db2.gz QQTLYWDJKRNCME-OPAMFIHVSA-N 1 1 447.536 0.952 20 0 ICADMO CCOCc1nnc(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001548104515 1072405328 /nfs/dbraw/zinc/40/53/28/1072405328.db2.gz QQTLYWDJKRNCME-ZHRRBRCNSA-N 1 1 447.536 0.952 20 0 ICADMO CCOCc1nnc(N2C[C@H]3CCC(=O)N[C@H]3C2)n1CCCCN1CC[NH+](CC)CC1 ZINC001548109340 1072406468 /nfs/dbraw/zinc/40/64/68/1072406468.db2.gz GLDYVBAUSUMXLC-MOPGFXCFSA-N 1 1 433.601 0.947 20 0 ICADMO CCOCc1nnc(N2C[C@@H]3NC(=O)CC[C@H]3C2)n1CCCCN1CC[NH+](CC)CC1 ZINC001548109341 1072406559 /nfs/dbraw/zinc/40/65/59/1072406559.db2.gz GLDYVBAUSUMXLC-OALUTQOASA-N 1 1 433.601 0.947 20 0 ICADMO CCOCc1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CCCCN1CC[NH+](CC)CC1 ZINC001548109342 1072406507 /nfs/dbraw/zinc/40/65/07/1072406507.db2.gz GLDYVBAUSUMXLC-RBUKOAKNSA-N 1 1 433.601 0.947 20 0 ICADMO CCOCc1nnc(N2C[C@H]3CCC(=O)N[C@@H]3C2)n1CCCCN1CC[NH+](CC)CC1 ZINC001548109343 1072407031 /nfs/dbraw/zinc/40/70/31/1072407031.db2.gz GLDYVBAUSUMXLC-RTBURBONSA-N 1 1 433.601 0.947 20 0 ICADMO CCOCc1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001548116790 1072407609 /nfs/dbraw/zinc/40/76/09/1072407609.db2.gz XJWPGCDYCMKDBP-MGPUTAFESA-N 1 1 435.529 0.104 20 0 ICADMO CCOCc1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001548116791 1072407483 /nfs/dbraw/zinc/40/74/83/1072407483.db2.gz XJWPGCDYCMKDBP-YWZLYKJASA-N 1 1 435.529 0.104 20 0 ICADMO CCOCc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CCC[NH+]1CCOCC1 ZINC001548117680 1072407646 /nfs/dbraw/zinc/40/76/46/1072407646.db2.gz IABCTKBLYBOZMX-NRFANRHFSA-N 1 1 449.556 0.351 20 0 ICADMO CCOCc1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1CCC[NH+]1CCOCC1 ZINC001548117681 1072407557 /nfs/dbraw/zinc/40/75/57/1072407557.db2.gz IABCTKBLYBOZMX-OAQYLSRUSA-N 1 1 449.556 0.351 20 0 ICADMO CCOCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1CC(=O)N(C)C ZINC001548123026 1072408109 /nfs/dbraw/zinc/40/81/09/1072408109.db2.gz JIZUPBPWBRPZJS-UHFFFAOYSA-N 1 1 449.600 0.673 20 0 ICADMO CCOCc1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001548123937 1072408170 /nfs/dbraw/zinc/40/81/70/1072408170.db2.gz JZPCXIFFHCKZNW-FQEVSTJZSA-N 1 1 443.614 0.921 20 0 ICADMO CCOCc1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001548123938 1072408155 /nfs/dbraw/zinc/40/81/55/1072408155.db2.gz JZPCXIFFHCKZNW-HXUWFJFHSA-N 1 1 443.614 0.921 20 0 ICADMO CCOCc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCNC(=O)c1ccco1 ZINC001548124787 1072408189 /nfs/dbraw/zinc/40/81/89/1072408189.db2.gz BOLIBBLFAWOBIQ-KRWDZBQOSA-N 1 1 432.525 0.996 20 0 ICADMO CCOCc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCNC(=O)c1ccco1 ZINC001548124788 1072408131 /nfs/dbraw/zinc/40/81/31/1072408131.db2.gz BOLIBBLFAWOBIQ-QGZVFWFLSA-N 1 1 432.525 0.996 20 0 ICADMO CCOCc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCN1CCN(C(C)=O)CC1 ZINC001548125252 1072408148 /nfs/dbraw/zinc/40/81/48/1072408148.db2.gz OOHFJAYGFNWRDH-FQEVSTJZSA-N 1 1 449.600 0.137 20 0 ICADMO CCOCc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCN1CCN(C(C)=O)CC1 ZINC001548125253 1072408180 /nfs/dbraw/zinc/40/81/80/1072408180.db2.gz OOHFJAYGFNWRDH-HXUWFJFHSA-N 1 1 449.600 0.137 20 0 ICADMO CCOCc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCC(=O)N1CCOCC1 ZINC001548125286 1072408163 /nfs/dbraw/zinc/40/81/63/1072408163.db2.gz PIRMLFYAHZJFHO-GOSISDBHSA-N 1 1 436.557 0.222 20 0 ICADMO CCOCc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCC(=O)N1CCOCC1 ZINC001548125287 1072408123 /nfs/dbraw/zinc/40/81/23/1072408123.db2.gz PIRMLFYAHZJFHO-SFHVURJKSA-N 1 1 436.557 0.222 20 0 ICADMO CCOCc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001548127032 1072408746 /nfs/dbraw/zinc/40/87/46/1072408746.db2.gz SSHVAEJFJBJRCJ-UHFFFAOYSA-N 1 1 426.587 0.842 20 0 ICADMO CCOCc1nnc(N2CCC(N3CCNC3=O)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001548130603 1072409871 /nfs/dbraw/zinc/40/98/71/1072409871.db2.gz JHIBMPNNFVDDTB-KRWDZBQOSA-N 1 1 435.573 0.777 20 0 ICADMO CCOCc1nnc(N2CCC(N3CCNC3=O)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001548130613 1072409855 /nfs/dbraw/zinc/40/98/55/1072409855.db2.gz JHIBMPNNFVDDTB-QGZVFWFLSA-N 1 1 435.573 0.777 20 0 ICADMO CCOCc1nnc(N2CCC(N3CCNC3=O)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001548131166 1072409879 /nfs/dbraw/zinc/40/98/79/1072409879.db2.gz NUUQRLLKTRWNED-UHFFFAOYSA-N 1 1 448.616 0.836 20 0 ICADMO CCOCc1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001548131344 1072410374 /nfs/dbraw/zinc/41/03/74/1072410374.db2.gz XHTOAIMZMHBYAW-KRWDZBQOSA-N 1 1 435.573 0.966 20 0 ICADMO CCOCc1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001548131344 1072410371 /nfs/dbraw/zinc/41/03/71/1072410371.db2.gz XHTOAIMZMHBYAW-KRWDZBQOSA-N 1 1 435.573 0.966 20 0 ICADMO CCOCc1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001548131345 1072410310 /nfs/dbraw/zinc/41/03/10/1072410310.db2.gz XHTOAIMZMHBYAW-QGZVFWFLSA-N 1 1 435.573 0.966 20 0 ICADMO CCOCc1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001548131345 1072410302 /nfs/dbraw/zinc/41/03/02/1072410302.db2.gz XHTOAIMZMHBYAW-QGZVFWFLSA-N 1 1 435.573 0.966 20 0 ICADMO CCOCc1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1CC(=O)NCC(F)F ZINC001548131709 1072410356 /nfs/dbraw/zinc/41/03/56/1072410356.db2.gz UUMLBYZYSJGGOD-HNNXBMFYSA-N 1 1 429.516 0.412 20 0 ICADMO CCOCc1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1CC(=O)NCC(F)F ZINC001548131710 1072410388 /nfs/dbraw/zinc/41/03/88/1072410388.db2.gz UUMLBYZYSJGGOD-OAHLLOKOSA-N 1 1 429.516 0.412 20 0 ICADMO CCOCc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001548133016 1072411050 /nfs/dbraw/zinc/41/10/50/1072411050.db2.gz OUTGTYSQYBBDCX-UHFFFAOYSA-N 1 1 444.602 0.443 20 0 ICADMO CCOCc1nnc(N2CCC(S(C)(=O)=O)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001548135380 1072411563 /nfs/dbraw/zinc/41/15/63/1072411563.db2.gz WOWDJJRMDBDCCX-UHFFFAOYSA-N 1 1 442.630 0.854 20 0 ICADMO CCOCc1nnc(N2CCc3nn(C)c(=O)cc3C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001548140689 1072412605 /nfs/dbraw/zinc/41/26/05/1072412605.db2.gz YNIDQDRVYHODLH-UHFFFAOYSA-N 1 1 431.541 0.582 20 0 ICADMO CCOCc1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001548149882 1072413295 /nfs/dbraw/zinc/41/32/95/1072413295.db2.gz DVHQQCZYKRJLIN-CVEARBPZSA-N 1 1 431.545 0.688 20 0 ICADMO CCOCc1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001548149883 1072413232 /nfs/dbraw/zinc/41/32/32/1072413232.db2.gz DVHQQCZYKRJLIN-HOTGVXAUSA-N 1 1 431.545 0.688 20 0 ICADMO CCOCc1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001548149884 1072413224 /nfs/dbraw/zinc/41/32/24/1072413224.db2.gz DVHQQCZYKRJLIN-HZPDHXFCSA-N 1 1 431.545 0.688 20 0 ICADMO CCOCc1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001548149885 1072413340 /nfs/dbraw/zinc/41/33/40/1072413340.db2.gz DVHQQCZYKRJLIN-JKSUJKDBSA-N 1 1 431.545 0.688 20 0 ICADMO CCOCc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1cnn(C)c1 ZINC001548162588 1072414392 /nfs/dbraw/zinc/41/43/92/1072414392.db2.gz AKTQBFPFCZQZLA-UHFFFAOYSA-N 1 1 430.557 0.731 20 0 ICADMO CCOCc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1cnn(C)c1 ZINC001548162588 1072414389 /nfs/dbraw/zinc/41/43/89/1072414389.db2.gz AKTQBFPFCZQZLA-UHFFFAOYSA-N 1 1 430.557 0.731 20 0 ICADMO CCOCc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CC(=O)N1CCOCC1 ZINC001548162917 1072415009 /nfs/dbraw/zinc/41/50/09/1072415009.db2.gz ATDGYLHWPDAROR-UHFFFAOYSA-N 1 1 446.556 0.119 20 0 ICADMO CCOCc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CCCn1cc[nH+]c1C ZINC001548163617 1072415055 /nfs/dbraw/zinc/41/50/55/1072415055.db2.gz LJZSRALFMFTSAF-UHFFFAOYSA-N 1 1 425.559 0.882 20 0 ICADMO CCOCc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@H](C)N1CCOCC1 ZINC001548163915 1072415037 /nfs/dbraw/zinc/41/50/37/1072415037.db2.gz QJMLGRFWBIMLAK-IBGZPJMESA-N 1 1 446.600 0.981 20 0 ICADMO CCOCc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@@H](C)N1CCOCC1 ZINC001548163917 1072415023 /nfs/dbraw/zinc/41/50/23/1072415023.db2.gz QJMLGRFWBIMLAK-LJQANCHMSA-N 1 1 446.600 0.981 20 0 ICADMO CCOCc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCNC(=O)C1CC1 ZINC001548164400 1072415075 /nfs/dbraw/zinc/41/50/75/1072415075.db2.gz XOZHWZDDRCBGKN-UHFFFAOYSA-N 1 1 430.557 0.787 20 0 ICADMO CCOCc1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1CC[N@@H+](CC)C1CC1 ZINC001548164418 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CNHPGFAGQMGVOW-GOSISDBHSA-N 1 1 430.557 0.822 20 0 ICADMO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1Cc1cnn(CC)c1 ZINC001548165247 1072416080 /nfs/dbraw/zinc/41/60/80/1072416080.db2.gz CNHPGFAGQMGVOW-SFHVURJKSA-N 1 1 430.557 0.822 20 0 ICADMO CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@]1(OC)CCOC1 ZINC001548165623 1072416037 /nfs/dbraw/zinc/41/60/37/1072416037.db2.gz LOGUOVUKUVPIOS-DYESRHJHSA-N 1 1 436.557 0.363 20 0 ICADMO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@]1(OC)CCOC1 ZINC001548165624 1072416472 /nfs/dbraw/zinc/41/64/72/1072416472.db2.gz LOGUOVUKUVPIOS-LAUBAEHRSA-N 1 1 436.557 0.363 20 0 ICADMO CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@@]1(OC)CCOC1 ZINC001548165625 1072416621 /nfs/dbraw/zinc/41/66/21/1072416621.db2.gz LOGUOVUKUVPIOS-UTKZUKDTSA-N 1 1 436.557 0.363 20 0 ICADMO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@@]1(OC)CCOC1 ZINC001548165626 1072416581 /nfs/dbraw/zinc/41/65/81/1072416581.db2.gz LOGUOVUKUVPIOS-UWJYYQICSA-N 1 1 436.557 0.363 20 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CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCCN1CCOCC1 ZINC001548166178 1072416606 /nfs/dbraw/zinc/41/66/06/1072416606.db2.gz UZXNHRCYLZPENI-LJQANCHMSA-N 1 1 449.600 0.280 20 0 ICADMO CCOCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001548166901 1072417377 /nfs/dbraw/zinc/41/73/77/1072417377.db2.gz IOPNTCWRHWZAIA-UHFFFAOYSA-N 1 1 447.584 0.057 20 0 ICADMO CCOCc1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001548167412 1072417831 /nfs/dbraw/zinc/41/78/31/1072417831.db2.gz JVHXZJVNUPXJHM-GOSISDBHSA-N 1 1 435.573 0.731 20 0 ICADMO CCOCc1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001548167413 1072417888 /nfs/dbraw/zinc/41/78/88/1072417888.db2.gz JVHXZJVNUPXJHM-SFHVURJKSA-N 1 1 435.573 0.731 20 0 ICADMO CCOCc1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001548167501 1072417806 /nfs/dbraw/zinc/41/78/06/1072417806.db2.gz LPDOHEKLHROWQB-GOSISDBHSA-N 1 1 435.573 0.873 20 0 ICADMO CCOCc1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CC[N@H+]1CCC[C@@H]1C 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/nfs/dbraw/zinc/41/84/31/1072418431.db2.gz RWXFRUNUWCNDAP-SFHVURJKSA-N 1 1 435.573 0.426 20 0 ICADMO CCOCc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CCn1cc[nH+]c1C ZINC001548169788 1072418531 /nfs/dbraw/zinc/41/85/31/1072418531.db2.gz BFHVNJVKCQSYFQ-INIZCTEOSA-N 1 1 430.557 0.809 20 0 ICADMO CCOCc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CCn1cc[nH+]c1C ZINC001548169789 1072418454 /nfs/dbraw/zinc/41/84/54/1072418454.db2.gz BFHVNJVKCQSYFQ-MRXNPFEDSA-N 1 1 430.557 0.809 20 0 ICADMO CCOCc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001548171626 1072419023 /nfs/dbraw/zinc/41/90/23/1072419023.db2.gz LYSVYSFGBISSFU-KRWDZBQOSA-N 1 1 442.568 0.977 20 0 ICADMO CCOCc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001548171628 1072418993 /nfs/dbraw/zinc/41/89/93/1072418993.db2.gz LYSVYSFGBISSFU-QGZVFWFLSA-N 1 1 442.568 0.977 20 0 ICADMO CCOCc1nnc(N2CCN(c3cnn(C)c3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001548173541 1072419721 /nfs/dbraw/zinc/41/97/21/1072419721.db2.gz 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CCOCc1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001548175442 1072420097 /nfs/dbraw/zinc/42/00/97/1072420097.db2.gz KMPZFKMKHTZRIY-HXUWFJFHSA-N 1 1 437.614 0.885 20 0 ICADMO CCOCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1C[C@H]1CCS(=O)(=O)C1 ZINC001548176338 1072420859 /nfs/dbraw/zinc/42/08/59/1072420859.db2.gz DCFDCMDZXJWFSV-DLBZAZTESA-N 1 1 441.598 0.939 20 0 ICADMO CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1C[C@H]1CCS(=O)(=O)C1 ZINC001548176338 1072420856 /nfs/dbraw/zinc/42/08/56/1072420856.db2.gz DCFDCMDZXJWFSV-DLBZAZTESA-N 1 1 441.598 0.939 20 0 ICADMO CCOCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001548176339 1072420767 /nfs/dbraw/zinc/42/07/67/1072420767.db2.gz DCFDCMDZXJWFSV-IRXDYDNUSA-N 1 1 441.598 0.939 20 0 ICADMO CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001548176339 1072420764 /nfs/dbraw/zinc/42/07/64/1072420764.db2.gz DCFDCMDZXJWFSV-IRXDYDNUSA-N 1 1 441.598 0.939 20 0 ICADMO CCOCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCCNS(C)(=O)=O ZINC001548176694 1072420737 /nfs/dbraw/zinc/42/07/37/1072420737.db2.gz REIXLNIJVZFKBZ-MRXNPFEDSA-N 1 1 444.602 0.443 20 0 ICADMO CCOCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCNS(C)(=O)=O ZINC001548176698 1072420808 /nfs/dbraw/zinc/42/08/08/1072420808.db2.gz RJENWEBGCJKLRA-OAHLLOKOSA-N 1 1 430.575 0.053 20 0 ICADMO CCOCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCNC(=O)c1ccn[nH]1 ZINC001548176813 1072420820 /nfs/dbraw/zinc/42/08/20/1072420820.db2.gz WOQRMKGFJSAXEO-INIZCTEOSA-N 1 1 446.556 0.657 20 0 ICADMO CCOCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCS(=O)(=O)CC ZINC001548176848 1072420833 /nfs/dbraw/zinc/42/08/33/1072420833.db2.gz XZBIAIUSLYWWCV-INIZCTEOSA-N 1 1 429.587 0.939 20 0 ICADMO CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCS(=O)(=O)CC ZINC001548176848 1072420830 /nfs/dbraw/zinc/42/08/30/1072420830.db2.gz XZBIAIUSLYWWCV-INIZCTEOSA-N 1 1 429.587 0.939 20 0 ICADMO CCOCc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CCC[NH+]1CCOCC1 ZINC001548177117 1072421311 /nfs/dbraw/zinc/42/13/11/1072421311.db2.gz HOJNCRFLQSBUDJ-UHFFFAOYSA-N 1 1 449.600 0.281 20 0 ICADMO CCOCc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001548178078 1072421277 /nfs/dbraw/zinc/42/12/77/1072421277.db2.gz VXBBOUIBJGIBBD-GOSISDBHSA-N 1 1 433.601 0.946 20 0 ICADMO CCOCc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001548178079 1072422037 /nfs/dbraw/zinc/42/20/37/1072422037.db2.gz VXBBOUIBJGIBBD-SFHVURJKSA-N 1 1 433.601 0.946 20 0 ICADMO CCOCc1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CCS(=O)(=O)N1CCSCC1 ZINC001548179400 1072421985 /nfs/dbraw/zinc/42/19/85/1072421985.db2.gz WECGECZHKBBSEG-INIZCTEOSA-N 1 1 446.643 0.724 20 0 ICADMO CCOCc1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CCS(=O)(=O)N1CCSCC1 ZINC001548179401 1072422071 /nfs/dbraw/zinc/42/20/71/1072422071.db2.gz WECGECZHKBBSEG-MRXNPFEDSA-N 1 1 446.643 0.724 20 0 ICADMO CCOCc1nnc(N2CC[NH+](CCOC)CC2)n1Cc1cccc(N2CCOCC2)n1 ZINC001548181526 1072422447 /nfs/dbraw/zinc/42/24/47/1072422447.db2.gz OJUVZYWZZIKUMA-UHFFFAOYSA-N 1 1 445.568 0.863 20 0 ICADMO CCOCc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001548181606 1072423084 /nfs/dbraw/zinc/42/30/84/1072423084.db2.gz PUFOXYIEHULGGT-MOPGFXCFSA-N 1 1 449.600 0.324 20 0 ICADMO CCOCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001548181608 1072423057 /nfs/dbraw/zinc/42/30/57/1072423057.db2.gz PUFOXYIEHULGGT-RTBURBONSA-N 1 1 449.600 0.324 20 0 ICADMO CCOCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CC(=O)N(C)C ZINC001548182152 1072423516 /nfs/dbraw/zinc/42/35/16/1072423516.db2.gz VMWXYCUAHHWBKU-GOSISDBHSA-N 1 1 437.589 0.134 20 0 ICADMO CCOCc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CC(=O)N(C)C ZINC001548182155 1072423500 /nfs/dbraw/zinc/42/35/00/1072423500.db2.gz VMWXYCUAHHWBKU-SFHVURJKSA-N 1 1 437.589 0.134 20 0 ICADMO CCOCc1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001548182390 1072424052 /nfs/dbraw/zinc/42/40/52/1072424052.db2.gz IQXUIMFVKMYARF-BBWFWOEESA-N 1 1 435.573 0.916 20 0 ICADMO CCOCc1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001548182397 1072424072 /nfs/dbraw/zinc/42/40/72/1072424072.db2.gz IQXUIMFVKMYARF-IXDOHACOSA-N 1 1 435.573 0.916 20 0 ICADMO CCOCc1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001548183522 1072425039 /nfs/dbraw/zinc/42/50/39/1072425039.db2.gz PGWTVTPWYVMIQS-MOPGFXCFSA-N 1 1 448.616 0.644 20 0 ICADMO CCOCc1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001548183523 1072425072 /nfs/dbraw/zinc/42/50/72/1072425072.db2.gz PGWTVTPWYVMIQS-OALUTQOASA-N 1 1 448.616 0.644 20 0 ICADMO CCOCc1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001548183524 1072425087 /nfs/dbraw/zinc/42/50/87/1072425087.db2.gz PGWTVTPWYVMIQS-RBUKOAKNSA-N 1 1 448.616 0.644 20 0 ICADMO CCOCc1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001548183525 1072425019 /nfs/dbraw/zinc/42/50/19/1072425019.db2.gz PGWTVTPWYVMIQS-RTBURBONSA-N 1 1 448.616 0.644 20 0 ICADMO CCOCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001548183597 1072424999 /nfs/dbraw/zinc/42/49/99/1072424999.db2.gz QYOZZVYRLXAQRR-INIZCTEOSA-N 1 1 449.556 0.398 20 0 ICADMO CCOCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001548183598 1072425099 /nfs/dbraw/zinc/42/50/99/1072425099.db2.gz QYOZZVYRLXAQRR-MRXNPFEDSA-N 1 1 449.556 0.398 20 0 ICADMO CCOCc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCn1cc(Br)cn1 ZINC001548183653 1072425140 /nfs/dbraw/zinc/42/51/40/1072425140.db2.gz KOUNLOMECZZZEQ-HNNXBMFYSA-N 1 1 440.346 0.995 20 0 ICADMO CCOCc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCn1cc(Br)cn1 ZINC001548183653 1072425123 /nfs/dbraw/zinc/42/51/23/1072425123.db2.gz KOUNLOMECZZZEQ-HNNXBMFYSA-N 1 1 440.346 0.995 20 0 ICADMO CCOCc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCn1cc(Br)cn1 ZINC001548183654 1072425115 /nfs/dbraw/zinc/42/51/15/1072425115.db2.gz KOUNLOMECZZZEQ-OAHLLOKOSA-N 1 1 440.346 0.995 20 0 ICADMO CCOCc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCn1cc(Br)cn1 ZINC001548183654 1072425112 /nfs/dbraw/zinc/42/51/12/1072425112.db2.gz KOUNLOMECZZZEQ-OAHLLOKOSA-N 1 1 440.346 0.995 20 0 ICADMO CCOCc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCNC(=O)c1cccc(OC)c1 ZINC001548183699 1072425056 /nfs/dbraw/zinc/42/50/56/1072425056.db2.gz LOIWGLVZRMBGIW-GOSISDBHSA-N 1 1 444.536 0.774 20 0 ICADMO CCOCc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCNC(=O)c1cccc(OC)c1 ZINC001548183699 1072425051 /nfs/dbraw/zinc/42/50/51/1072425051.db2.gz LOIWGLVZRMBGIW-GOSISDBHSA-N 1 1 444.536 0.774 20 0 ICADMO CCOCc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCNC(=O)c1cccc(OC)c1 ZINC001548183700 1072425011 /nfs/dbraw/zinc/42/50/11/1072425011.db2.gz LOIWGLVZRMBGIW-SFHVURJKSA-N 1 1 444.536 0.774 20 0 ICADMO CCOCc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCNC(=O)c1cccc(OC)c1 ZINC001548183700 1072425009 /nfs/dbraw/zinc/42/50/09/1072425009.db2.gz LOIWGLVZRMBGIW-SFHVURJKSA-N 1 1 444.536 0.774 20 0 ICADMO CCOCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001548184075 1072425758 /nfs/dbraw/zinc/42/57/58/1072425758.db2.gz XSFGSJSKEXUJQA-INIZCTEOSA-N 1 1 449.556 0.398 20 0 ICADMO CCOCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001548184075 1072425757 /nfs/dbraw/zinc/42/57/57/1072425757.db2.gz XSFGSJSKEXUJQA-INIZCTEOSA-N 1 1 449.556 0.398 20 0 ICADMO CCOCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001548184076 1072425786 /nfs/dbraw/zinc/42/57/86/1072425786.db2.gz XSFGSJSKEXUJQA-MRXNPFEDSA-N 1 1 449.556 0.398 20 0 ICADMO CCOCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001548184076 1072425784 /nfs/dbraw/zinc/42/57/84/1072425784.db2.gz XSFGSJSKEXUJQA-MRXNPFEDSA-N 1 1 449.556 0.398 20 0 ICADMO CCOCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1CCC[NH+]1CCOCC1 ZINC001548184077 1072425857 /nfs/dbraw/zinc/42/58/57/1072425857.db2.gz XUCUNHJQEVXPEM-INIZCTEOSA-N 1 1 435.529 0.010 20 0 ICADMO CCOCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1CCC[NH+]1CCOCC1 ZINC001548184078 1072425771 /nfs/dbraw/zinc/42/57/71/1072425771.db2.gz XUCUNHJQEVXPEM-MRXNPFEDSA-N 1 1 435.529 0.010 20 0 ICADMO CCOCc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC1(OCCOC)CCOCC1 ZINC001548184600 1072425808 /nfs/dbraw/zinc/42/58/08/1072425808.db2.gz ZCAKMSBCVKLJFL-GOSISDBHSA-N 1 1 439.557 0.548 20 0 ICADMO CCOCc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC1(OCCOC)CCOCC1 ZINC001548184600 1072425805 /nfs/dbraw/zinc/42/58/05/1072425805.db2.gz ZCAKMSBCVKLJFL-GOSISDBHSA-N 1 1 439.557 0.548 20 0 ICADMO CCOCc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC1(OCCOC)CCOCC1 ZINC001548184601 1072426224 /nfs/dbraw/zinc/42/62/24/1072426224.db2.gz ZCAKMSBCVKLJFL-SFHVURJKSA-N 1 1 439.557 0.548 20 0 ICADMO CCOCc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC1(OCCOC)CCOCC1 ZINC001548184601 1072426223 /nfs/dbraw/zinc/42/62/23/1072426223.db2.gz ZCAKMSBCVKLJFL-SFHVURJKSA-N 1 1 439.557 0.548 20 0 ICADMO CCOCc1nnc(N2CCO[C@H](C(=O)NC)C2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001548184754 1072426270 /nfs/dbraw/zinc/42/62/70/1072426270.db2.gz CCHMRRYCNYYNLK-IBGZPJMESA-N 1 1 428.537 0.824 20 0 ICADMO CCOCc1nnc(N2CCO[C@@H](C(=O)NC)C2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001548184755 1072426307 /nfs/dbraw/zinc/42/63/07/1072426307.db2.gz CCHMRRYCNYYNLK-LJQANCHMSA-N 1 1 428.537 0.824 20 0 ICADMO CCOCc1nnc(N2CCO[C@H](Cn3cccn3)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001548191640 1072426820 /nfs/dbraw/zinc/42/68/20/1072426820.db2.gz UAHQQHPMFIGCGW-MOPGFXCFSA-N 1 1 433.557 0.885 20 0 ICADMO CCOCc1nnc(N2CCO[C@H](Cn3cccn3)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001548191641 1072427446 /nfs/dbraw/zinc/42/74/46/1072427446.db2.gz UAHQQHPMFIGCGW-OALUTQOASA-N 1 1 433.557 0.885 20 0 ICADMO CCOCc1nnc(N2CCO[C@@H](Cn3cccn3)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001548191642 1072427457 /nfs/dbraw/zinc/42/74/57/1072427457.db2.gz UAHQQHPMFIGCGW-RBUKOAKNSA-N 1 1 433.557 0.885 20 0 ICADMO CCOCc1nnc(N2CCO[C@@H](Cn3cccn3)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001548191643 1072427390 /nfs/dbraw/zinc/42/73/90/1072427390.db2.gz UAHQQHPMFIGCGW-RTBURBONSA-N 1 1 433.557 0.885 20 0 ICADMO CCOCc1nnc(N2CCS(=O)CC2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001548194668 1072427806 /nfs/dbraw/zinc/42/78/06/1072427806.db2.gz WNCZVZOEYBEBBW-IBGZPJMESA-N 1 1 433.578 0.998 20 0 ICADMO CCOCc1nnc(N2CCS(=O)CC2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001548194669 1072427859 /nfs/dbraw/zinc/42/78/59/1072427859.db2.gz WNCZVZOEYBEBBW-LJQANCHMSA-N 1 1 433.578 0.998 20 0 ICADMO CCOCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001548241897 1072430781 /nfs/dbraw/zinc/43/07/81/1072430781.db2.gz YDAKECAKWJGMKD-APWZRJJASA-N 1 1 444.602 0.616 20 0 ICADMO CCOCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001548241898 1072430620 /nfs/dbraw/zinc/43/06/20/1072430620.db2.gz YDAKECAKWJGMKD-LPHOPBHVSA-N 1 1 444.602 0.616 20 0 ICADMO CCOCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001548241899 1072430760 /nfs/dbraw/zinc/43/07/60/1072430760.db2.gz YDAKECAKWJGMKD-QFBILLFUSA-N 1 1 444.602 0.616 20 0 ICADMO CCOCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001548241900 1072430755 /nfs/dbraw/zinc/43/07/55/1072430755.db2.gz YDAKECAKWJGMKD-VQIMIIECSA-N 1 1 444.602 0.616 20 0 ICADMO CCOCCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001548250217 1072431822 /nfs/dbraw/zinc/43/18/22/1072431822.db2.gz OVWNTUZRUBCBBM-CABCVRRESA-N 1 1 425.559 0.820 20 0 ICADMO CCOCCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001548250218 1072431705 /nfs/dbraw/zinc/43/17/05/1072431705.db2.gz OVWNTUZRUBCBBM-GJZGRUSLSA-N 1 1 425.559 0.820 20 0 ICADMO CCOCCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001548250219 1072431792 /nfs/dbraw/zinc/43/17/92/1072431792.db2.gz OVWNTUZRUBCBBM-HUUCEWRRSA-N 1 1 425.559 0.820 20 0 ICADMO CCOCCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001548250220 1072431726 /nfs/dbraw/zinc/43/17/26/1072431726.db2.gz OVWNTUZRUBCBBM-LSDHHAIUSA-N 1 1 425.559 0.820 20 0 ICADMO CCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001548263807 1072432848 /nfs/dbraw/zinc/43/28/48/1072432848.db2.gz UWGXDKSFWWRSHT-HRCADAONSA-N 1 1 430.575 0.082 20 0 ICADMO CCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001548263808 1072432752 /nfs/dbraw/zinc/43/27/52/1072432752.db2.gz UWGXDKSFWWRSHT-JYJNAYRXSA-N 1 1 430.575 0.082 20 0 ICADMO CCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001548263809 1072432805 /nfs/dbraw/zinc/43/28/05/1072432805.db2.gz UWGXDKSFWWRSHT-OWCLPIDISA-N 1 1 430.575 0.082 20 0 ICADMO CCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001548263810 1072433362 /nfs/dbraw/zinc/43/33/62/1072433362.db2.gz UWGXDKSFWWRSHT-PMPSAXMXSA-N 1 1 430.575 0.082 20 0 ICADMO CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001548270854 1072433808 /nfs/dbraw/zinc/43/38/08/1072433808.db2.gz SZLDBCDFSBEXLE-BPQIPLTHSA-N 1 1 433.557 0.255 20 0 ICADMO CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001548270855 1072433858 /nfs/dbraw/zinc/43/38/58/1072433858.db2.gz SZLDBCDFSBEXLE-NJAFHUGGSA-N 1 1 433.557 0.255 20 0 ICADMO CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001548270856 1072433893 /nfs/dbraw/zinc/43/38/93/1072433893.db2.gz SZLDBCDFSBEXLE-RYQLBKOJSA-N 1 1 433.557 0.255 20 0 ICADMO CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001548270857 1072433838 /nfs/dbraw/zinc/43/38/38/1072433838.db2.gz SZLDBCDFSBEXLE-SZMVWBNQSA-N 1 1 433.557 0.255 20 0 ICADMO CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001548272307 1072434623 /nfs/dbraw/zinc/43/46/23/1072434623.db2.gz JUDWSZOMGVKSHR-GOSISDBHSA-N 1 1 441.598 0.765 20 0 ICADMO CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001548272308 1072434515 /nfs/dbraw/zinc/43/45/15/1072434515.db2.gz JUDWSZOMGVKSHR-SFHVURJKSA-N 1 1 441.598 0.765 20 0 ICADMO CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001548273892 1072435062 /nfs/dbraw/zinc/43/50/62/1072435062.db2.gz XOWJANVMFJODFZ-BBWFWOEESA-N 1 1 444.602 0.566 20 0 ICADMO CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001548273893 1072434961 /nfs/dbraw/zinc/43/49/61/1072434961.db2.gz XOWJANVMFJODFZ-IKGGRYGDSA-N 1 1 444.602 0.566 20 0 ICADMO CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001548273894 1072434925 /nfs/dbraw/zinc/43/49/25/1072434925.db2.gz XOWJANVMFJODFZ-ULQDDVLXSA-N 1 1 444.602 0.566 20 0 ICADMO CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001548273895 1072435093 /nfs/dbraw/zinc/43/50/93/1072435093.db2.gz XOWJANVMFJODFZ-ZACQAIPSSA-N 1 1 444.602 0.566 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccn(CC)c2=O)CC1 ZINC001548278168 1072435638 /nfs/dbraw/zinc/43/56/38/1072435638.db2.gz BYRSZUJKBFYIPE-UHFFFAOYSA-N 1 1 445.568 0.805 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2nccnc2C)CC1 ZINC001548278400 1072435677 /nfs/dbraw/zinc/43/56/77/1072435677.db2.gz FKOBSVCQWDMWQA-UHFFFAOYSA-N 1 1 430.557 0.916 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(C)nn(C)c2C)CC1 ZINC001548278530 1072435703 /nfs/dbraw/zinc/43/57/03/1072435703.db2.gz GGQWGQVGKNMSHA-UHFFFAOYSA-N 1 1 432.573 0.973 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCOC2=O)CC1 ZINC001548278588 1072435715 /nfs/dbraw/zinc/43/57/15/1072435715.db2.gz IBKMYPLAXZFIJW-UHFFFAOYSA-N 1 1 449.556 0.515 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(C)COCCO2)CC1 ZINC001548278610 1072435647 /nfs/dbraw/zinc/43/56/47/1072435647.db2.gz IYBVRZCJQUZRMO-NRFANRHFSA-N 1 1 436.557 0.478 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(C)COCCO2)CC1 ZINC001548278611 1072436293 /nfs/dbraw/zinc/43/62/93/1072436293.db2.gz IYBVRZCJQUZRMO-OAQYLSRUSA-N 1 1 436.557 0.478 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C(C)C)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001548279588 1072436335 /nfs/dbraw/zinc/43/63/35/1072436335.db2.gz XUJVJEGMDRBYBI-KRWDZBQOSA-N 1 1 428.603 0.842 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C(C)C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001548279590 1072436267 /nfs/dbraw/zinc/43/62/67/1072436267.db2.gz XUJVJEGMDRBYBI-QGZVFWFLSA-N 1 1 428.603 0.842 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCOCC2)CC1 ZINC001548279735 1072436278 /nfs/dbraw/zinc/43/62/78/1072436278.db2.gz ZNQUGTIFBDPZIJ-UHFFFAOYSA-N 1 1 436.557 0.214 20 0 ICADMO CCOCCN1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H]1CC ZINC001548282486 1072436253 /nfs/dbraw/zinc/43/62/53/1072436253.db2.gz INHFFASLEDXJED-AVRDEDQJSA-N 1 1 444.584 0.739 20 0 ICADMO CCOCCN1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@@H]1CC ZINC001548282486 1072436250 /nfs/dbraw/zinc/43/62/50/1072436250.db2.gz INHFFASLEDXJED-AVRDEDQJSA-N 1 1 444.584 0.739 20 0 ICADMO CCOCCN1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H]1CC ZINC001548282488 1072436276 /nfs/dbraw/zinc/43/62/76/1072436276.db2.gz INHFFASLEDXJED-GCJKJVERSA-N 1 1 444.584 0.739 20 0 ICADMO CCOCCN1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H]1CC ZINC001548282488 1072436275 /nfs/dbraw/zinc/43/62/75/1072436275.db2.gz INHFFASLEDXJED-GCJKJVERSA-N 1 1 444.584 0.739 20 0 ICADMO CCOCCN1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H]1CC ZINC001548282490 1072436350 /nfs/dbraw/zinc/43/63/50/1072436350.db2.gz INHFFASLEDXJED-PGRDOPGGSA-N 1 1 444.584 0.739 20 0 ICADMO CCOCCN1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@@H]1CC ZINC001548282490 1072436348 /nfs/dbraw/zinc/43/63/48/1072436348.db2.gz INHFFASLEDXJED-PGRDOPGGSA-N 1 1 444.584 0.739 20 0 ICADMO CCOCCN1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1CC ZINC001548282492 1072436229 /nfs/dbraw/zinc/43/62/29/1072436229.db2.gz INHFFASLEDXJED-XMSQKQJNSA-N 1 1 444.584 0.739 20 0 ICADMO CCOCCN1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H]1CC ZINC001548282492 1072436227 /nfs/dbraw/zinc/43/62/27/1072436227.db2.gz INHFFASLEDXJED-XMSQKQJNSA-N 1 1 444.584 0.739 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC)nc2)CC1 ZINC001548282776 1072436264 /nfs/dbraw/zinc/43/62/64/1072436264.db2.gz NWAJZRKBQOUXIO-KRWDZBQOSA-N 1 1 429.525 0.840 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)nc2)CC1 ZINC001548282777 1072436331 /nfs/dbraw/zinc/43/63/31/1072436331.db2.gz NWAJZRKBQOUXIO-QGZVFWFLSA-N 1 1 429.525 0.840 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001548282830 1072436319 /nfs/dbraw/zinc/43/63/19/1072436319.db2.gz XUVZPEHNZSGLOQ-UHFFFAOYSA-N 1 1 437.570 0.390 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(-c3ccccn3)n2CC(=O)N2CCOCC2)CC1 ZINC001548282866 1072436312 /nfs/dbraw/zinc/43/63/12/1072436312.db2.gz YVCDJOFRFQOJDI-UHFFFAOYSA-N 1 1 429.525 0.357 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(-c3cnccn3)n2CCCN2CCOC2=O)CC1 ZINC001548282930 1072436327 /nfs/dbraw/zinc/43/63/27/1072436327.db2.gz PJSKACPQTGKDFQ-UHFFFAOYSA-N 1 1 430.513 0.736 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCNS(C)(=O)=O)CC1 ZINC001548282958 1072436280 /nfs/dbraw/zinc/43/62/80/1072436280.db2.gz QHRXHSQNVYPZAG-UHFFFAOYSA-N 1 1 437.570 0.356 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001548283009 1072436235 /nfs/dbraw/zinc/43/62/35/1072436235.db2.gz RTBPERUXILSSOZ-UHFFFAOYSA-N 1 1 439.524 0.379 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 ZINC001548283462 1072436260 /nfs/dbraw/zinc/43/62/60/1072436260.db2.gz ZVPCLAPYXKMNRG-HKUYNNGSSA-N 1 1 431.541 0.945 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCOC[C@H]2OC)CC1 ZINC001548283463 1072436288 /nfs/dbraw/zinc/43/62/88/1072436288.db2.gz ZVPCLAPYXKMNRG-IEBWSBKVSA-N 1 1 431.541 0.945 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCOC[C@@H]2OC)CC1 ZINC001548283464 1072436984 /nfs/dbraw/zinc/43/69/84/1072436984.db2.gz ZVPCLAPYXKMNRG-MJGOQNOKSA-N 1 1 431.541 0.945 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCOC[C@H]2OC)CC1 ZINC001548283465 1072436817 /nfs/dbraw/zinc/43/68/17/1072436817.db2.gz ZVPCLAPYXKMNRG-PKOBYXMFSA-N 1 1 431.541 0.945 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCOCC2(C)C)CC1 ZINC001548283685 1072436770 /nfs/dbraw/zinc/43/67/70/1072436770.db2.gz GYDFFKGYBJAHQP-GOSISDBHSA-N 1 1 449.600 0.499 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCOCC2(C)C)CC1 ZINC001548283686 1072436693 /nfs/dbraw/zinc/43/66/93/1072436693.db2.gz GYDFFKGYBJAHQP-SFHVURJKSA-N 1 1 449.600 0.499 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CC2(O)CCOCC2)CC1 ZINC001548283982 1072436861 /nfs/dbraw/zinc/43/68/61/1072436861.db2.gz ANZVDDZBANXZPK-UHFFFAOYSA-N 1 1 436.557 0.101 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(CCc3ccccc3)n2Cc2nnn(C)n2)CC1 ZINC001548284039 1072436962 /nfs/dbraw/zinc/43/69/62/1072436962.db2.gz CKRWDNUSZVGYIV-UHFFFAOYSA-N 1 1 425.541 0.794 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2noc(CC)n2)CC1 ZINC001548284103 1072436632 /nfs/dbraw/zinc/43/66/32/1072436632.db2.gz KUFLANQSDYJRMG-HNNXBMFYSA-N 1 1 432.529 0.576 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2noc(CC)n2)CC1 ZINC001548284104 1072436737 /nfs/dbraw/zinc/43/67/37/1072436737.db2.gz KUFLANQSDYJRMG-OAHLLOKOSA-N 1 1 432.529 0.576 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(O)CCO[C@H]2C)CC1 ZINC001548284336 1072436756 /nfs/dbraw/zinc/43/67/56/1072436756.db2.gz GHMLHXYCBJBXQS-AVRDEDQJSA-N 1 1 430.553 0.962 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 ZINC001548284337 1072436995 /nfs/dbraw/zinc/43/69/95/1072436995.db2.gz GHMLHXYCBJBXQS-GCJKJVERSA-N 1 1 430.553 0.962 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(O)CCO[C@H]2C)CC1 ZINC001548284338 1072436656 /nfs/dbraw/zinc/43/66/56/1072436656.db2.gz GHMLHXYCBJBXQS-PGRDOPGGSA-N 1 1 430.553 0.962 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(O)CCO[C@@H]2C)CC1 ZINC001548284339 1072436894 /nfs/dbraw/zinc/43/68/94/1072436894.db2.gz GHMLHXYCBJBXQS-XMSQKQJNSA-N 1 1 430.553 0.962 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001548284382 1072436942 /nfs/dbraw/zinc/43/69/42/1072436942.db2.gz MPHPLWBWUFMVQO-INIZCTEOSA-N 1 1 432.529 0.094 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001548284383 1072436843 /nfs/dbraw/zinc/43/68/43/1072436843.db2.gz MPHPLWBWUFMVQO-MRXNPFEDSA-N 1 1 432.529 0.094 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)NC(C)(C)C)CC1 ZINC001548284631 1072436908 /nfs/dbraw/zinc/43/69/08/1072436908.db2.gz IIHSIZNFBYMMSN-UHFFFAOYSA-N 1 1 449.600 0.864 20 0 ICADMO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2COCCO2)C[C@@H]1CC ZINC001548284760 1072436923 /nfs/dbraw/zinc/43/69/23/1072436923.db2.gz PNWYNGFJBALAEB-KSZLIROESA-N 1 1 436.557 0.582 20 0 ICADMO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2COCCO2)C[C@H]1CC ZINC001548284763 1072437645 /nfs/dbraw/zinc/43/76/45/1072437645.db2.gz PNWYNGFJBALAEB-KURKYZTESA-N 1 1 436.557 0.582 20 0 ICADMO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2COCCO2)C[C@H]1CC ZINC001548284765 1072437550 /nfs/dbraw/zinc/43/75/50/1072437550.db2.gz PNWYNGFJBALAEB-KZNAEPCWSA-N 1 1 436.557 0.582 20 0 ICADMO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2COCCO2)C[C@@H]1CC ZINC001548284767 1072437557 /nfs/dbraw/zinc/43/75/57/1072437557.db2.gz PNWYNGFJBALAEB-RCCFBDPRSA-N 1 1 436.557 0.582 20 0 ICADMO CCOCC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ncn(C)n2)C[C@@H]1CC ZINC001548284887 1072437510 /nfs/dbraw/zinc/43/75/10/1072437510.db2.gz KLLPBFSEBQYZHV-KRWDZBQOSA-N 1 1 445.572 0.514 20 0 ICADMO CCOCC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ncn(C)n2)C[C@H]1CC ZINC001548284888 1072437616 /nfs/dbraw/zinc/43/76/16/1072437616.db2.gz KLLPBFSEBQYZHV-QGZVFWFLSA-N 1 1 445.572 0.514 20 0 ICADMO CCOCCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001548284893 1072437498 /nfs/dbraw/zinc/43/74/98/1072437498.db2.gz KPDZTFDAXLQDIE-JOCHJYFZSA-N 1 1 429.569 0.489 20 0 ICADMO CCOCCN1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001548284894 1072437518 /nfs/dbraw/zinc/43/75/18/1072437518.db2.gz KPDZTFDAXLQDIE-QFIPXVFZSA-N 1 1 429.569 0.489 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)CC(F)(F)F)CC1 ZINC001548285120 1072437636 /nfs/dbraw/zinc/43/76/36/1072437636.db2.gz SJXLSELBUFVAHX-HNNXBMFYSA-N 1 1 447.506 0.882 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)CC(F)(F)F)CC1 ZINC001548285122 1072437505 /nfs/dbraw/zinc/43/75/05/1072437505.db2.gz SJXLSELBUFVAHX-OAHLLOKOSA-N 1 1 447.506 0.882 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)NCc2ccco2)CC1 ZINC001548285154 1072437590 /nfs/dbraw/zinc/43/75/90/1072437590.db2.gz SWWTYXDTJXYUJA-KRWDZBQOSA-N 1 1 432.525 0.850 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)NCc2ccco2)CC1 ZINC001548285156 1072437532 /nfs/dbraw/zinc/43/75/32/1072437532.db2.gz SWWTYXDTJXYUJA-QGZVFWFLSA-N 1 1 432.525 0.850 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 ZINC001548285188 1072437566 /nfs/dbraw/zinc/43/75/66/1072437566.db2.gz MYNRENQEXFCDCM-VQTJNVASSA-N 1 1 430.553 0.962 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2nnn(C)n2)CC1 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CN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[N@H+]1CCCO)[C@H]1CCS(=O)(=O)C1 ZINC001552946598 1072514116 /nfs/dbraw/zinc/51/41/16/1072514116.db2.gz FHWOKCHSDJEPAB-SQNIBIBYSA-N 1 1 441.598 0.990 20 0 ICADMO CN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[N@@H+]1CCCO)[C@H]1CCS(=O)(=O)C1 ZINC001552946598 1072514113 /nfs/dbraw/zinc/51/41/13/1072514113.db2.gz FHWOKCHSDJEPAB-SQNIBIBYSA-N 1 1 441.598 0.990 20 0 ICADMO CN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCC(O)CC1)[C@H]1CCOC1 ZINC001552960311 1072514911 /nfs/dbraw/zinc/51/49/11/1072514911.db2.gz JINICJJTUGMBKJ-CVEARBPZSA-N 1 1 427.571 0.252 20 0 ICADMO CN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCC(O)CC1)[C@H]1CCOC1 ZINC001552960313 1072514953 /nfs/dbraw/zinc/51/49/53/1072514953.db2.gz JINICJJTUGMBKJ-HOTGVXAUSA-N 1 1 427.571 0.252 20 0 ICADMO CN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCC(O)CC1)[C@@H]1CCOC1 ZINC001552960314 1072515009 /nfs/dbraw/zinc/51/50/09/1072515009.db2.gz JINICJJTUGMBKJ-HZPDHXFCSA-N 1 1 427.571 0.252 20 0 ICADMO 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CN(CC(=O)N1CCOCC1)c1nnc(C(C)(C)C)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001554125156 1072519770 /nfs/dbraw/zinc/51/97/70/1072519770.db2.gz LHYYXJFYAIDSFP-UHFFFAOYSA-N 1 1 435.617 0.897 20 0 ICADMO CN(CC(=O)N1CCOCC1)c1nnc(C(C)(C)C)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001554125156 1072519757 /nfs/dbraw/zinc/51/97/57/1072519757.db2.gz LHYYXJFYAIDSFP-UHFFFAOYSA-N 1 1 435.617 0.897 20 0 ICADMO CN(CC(=O)N1CCOCC1)c1nnc(C(C)(C)C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001554125156 1072519746 /nfs/dbraw/zinc/51/97/46/1072519746.db2.gz LHYYXJFYAIDSFP-UHFFFAOYSA-N 1 1 435.617 0.897 20 0 ICADMO CN(CC(=O)N1CCOCC1)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CC=CCC1 ZINC001554125544 1072520278 /nfs/dbraw/zinc/52/02/78/1072520278.db2.gz QNCPCVBRWNIJJW-UHFFFAOYSA-N 1 1 431.541 0.071 20 0 ICADMO CN(CC(=O)N1CCOCC1)c1nnc(-c2cccnc2)n1CCC[NH+]1CCOCC1 ZINC001554126542 1072520618 /nfs/dbraw/zinc/52/06/18/1072520618.db2.gz HBLVAXNQXXXJHI-UHFFFAOYSA-N 1 1 429.525 0.357 20 0 ICADMO CN(CC(=O)N1CCOCC1)c1nnc(Cc2ccsc2)n1CCC[NH+]1CCOCC1 ZINC001554126749 1072521164 /nfs/dbraw/zinc/52/11/64/1072521164.db2.gz NRJSJMOLOGXECF-UHFFFAOYSA-N 1 1 448.593 0.948 20 0 ICADMO CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@@H+](C)C1CCCC1 ZINC001554127085 1072521756 /nfs/dbraw/zinc/52/17/56/1072521756.db2.gz NPFXSFXOMVVNOD-KRWDZBQOSA-N 1 1 433.557 0.399 20 0 ICADMO CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1CC[N@@H+](C)C1CCCC1 ZINC001554127086 1072521823 /nfs/dbraw/zinc/52/18/23/1072521823.db2.gz NPFXSFXOMVVNOD-QGZVFWFLSA-N 1 1 433.557 0.399 20 0 ICADMO CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CCCCO2)n1CCC[NH+]1CCOCC1 ZINC001554127200 1072522089 /nfs/dbraw/zinc/52/20/89/1072522089.db2.gz QJUWXXDTOCTVHK-GOSISDBHSA-N 1 1 436.557 0.537 20 0 ICADMO CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CCCCO2)n1CCC[NH+]1CCOCC1 ZINC001554127202 1072522214 /nfs/dbraw/zinc/52/22/14/1072522214.db2.gz QJUWXXDTOCTVHK-SFHVURJKSA-N 1 1 436.557 0.537 20 0 ICADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1CCNS(C)(=O)=O ZINC001554136146 1072523750 /nfs/dbraw/zinc/52/37/50/1072523750.db2.gz LXVQPDNMTDQLOT-UHFFFAOYSA-N 1 1 430.619 0.919 20 0 ICADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccn(C)n1 ZINC001554136746 1072523831 /nfs/dbraw/zinc/52/38/31/1072523831.db2.gz FZINOSONQNUCNU-KRWDZBQOSA-N 1 1 430.557 0.806 20 0 ICADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccn(C)n1 ZINC001554136747 1072523778 /nfs/dbraw/zinc/52/37/78/1072523778.db2.gz FZINOSONQNUCNU-QGZVFWFLSA-N 1 1 430.557 0.806 20 0 ICADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCOC2)n1CCNS(C)(=O)=O ZINC001554136954 1072523795 /nfs/dbraw/zinc/52/37/95/1072523795.db2.gz NFZSVUBEXLZTJW-INIZCTEOSA-N 1 1 444.602 0.126 20 0 ICADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCOC2)n1CCNS(C)(=O)=O ZINC001554136955 1072523732 /nfs/dbraw/zinc/52/37/32/1072523732.db2.gz NFZSVUBEXLZTJW-MRXNPFEDSA-N 1 1 444.602 0.126 20 0 ICADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(CN2CCCC2=O)n1Cc1nncn1C ZINC001554137392 1072523866 /nfs/dbraw/zinc/52/38/66/1072523866.db2.gz 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CN(CCc1cnccn1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001554261719 1072532453 /nfs/dbraw/zinc/53/24/53/1072532453.db2.gz HVMCLSJIDGVKDM-QZTJIDSGSA-N 1 1 428.541 0.545 20 0 ICADMO CN(CCc1cnccn1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001554261720 1072532148 /nfs/dbraw/zinc/53/21/48/1072532148.db2.gz HVMCLSJIDGVKDM-ROUUACIJSA-N 1 1 428.541 0.545 20 0 ICADMO CN(CCc1cnccn1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001554261721 1072532445 /nfs/dbraw/zinc/53/24/45/1072532445.db2.gz HVMCLSJIDGVKDM-ZWKOTPCHSA-N 1 1 428.541 0.545 20 0 ICADMO CN(CCc1cnccn1)c1nnc([C@H]2CCC(=O)N2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001554261802 1072532351 /nfs/dbraw/zinc/53/23/51/1072532351.db2.gz JSQMEPDIDZMCFF-GOSISDBHSA-N 1 1 441.584 0.724 20 0 ICADMO CN(CCc1cnccn1)c1nnc([C@H]2CCC(=O)N2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001554261802 1072532336 /nfs/dbraw/zinc/53/23/36/1072532336.db2.gz JSQMEPDIDZMCFF-GOSISDBHSA-N 1 1 441.584 0.724 20 0 ICADMO CN(CCc1cnccn1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001554261802 1072532325 /nfs/dbraw/zinc/53/23/25/1072532325.db2.gz JSQMEPDIDZMCFF-GOSISDBHSA-N 1 1 441.584 0.724 20 0 ICADMO CN(CCc1cnccn1)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001554261805 1072532410 /nfs/dbraw/zinc/53/24/10/1072532410.db2.gz JSQMEPDIDZMCFF-SFHVURJKSA-N 1 1 441.584 0.724 20 0 ICADMO CN(CCc1cnccn1)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001554261805 1072532398 /nfs/dbraw/zinc/53/23/98/1072532398.db2.gz JSQMEPDIDZMCFF-SFHVURJKSA-N 1 1 441.584 0.724 20 0 ICADMO CN(CCc1cnccn1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001554261805 1072532388 /nfs/dbraw/zinc/53/23/88/1072532388.db2.gz JSQMEPDIDZMCFF-SFHVURJKSA-N 1 1 441.584 0.724 20 0 ICADMO CN(CCc1cnccn1)c1nnc(CN2CCCC2=O)n1CC[N@H+]1CCOCC1(C)C ZINC001554263536 1072532827 /nfs/dbraw/zinc/53/28/27/1072532827.db2.gz GBYDMMACSCPUDS-UHFFFAOYSA-N 1 1 442.568 0.980 20 0 ICADMO CN(CCc1cnccn1)c1nnc(CN2CCCC2=O)n1CC[N@@H+]1CCOCC1(C)C ZINC001554263536 1072532813 /nfs/dbraw/zinc/53/28/13/1072532813.db2.gz GBYDMMACSCPUDS-UHFFFAOYSA-N 1 1 442.568 0.980 20 0 ICADMO CN(CCCS(C)(=O)=O)c1nnc(C(=O)N2CCCC2)n1CCC[NH+]1CCOCC1 ZINC001554283832 1072534281 /nfs/dbraw/zinc/53/42/81/1072534281.db2.gz QMDSNBFEICLCHH-UHFFFAOYSA-N 1 1 442.586 0.107 20 0 ICADMO CN(CCCS(C)(=O)=O)c1nnc([C@H]2CCCOC2)n1CCC[NH+]1CCOCC1 ZINC001554286022 1072534813 /nfs/dbraw/zinc/53/48/13/1072534813.db2.gz AAPZPQTZWBRWFN-KRWDZBQOSA-N 1 1 429.587 0.765 20 0 ICADMO CN(CCCS(C)(=O)=O)c1nnc([C@@H]2CCCOC2)n1CCC[NH+]1CCOCC1 ZINC001554286023 1072534658 /nfs/dbraw/zinc/53/46/58/1072534658.db2.gz AAPZPQTZWBRWFN-QGZVFWFLSA-N 1 1 429.587 0.765 20 0 ICADMO C[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(N)=O)C1)Cc1ccccc1 ZINC001554288600 1072536021 /nfs/dbraw/zinc/53/60/21/1072536021.db2.gz NTXWXNSSSPVVRH-GOSISDBHSA-N 1 1 425.537 0.958 20 0 ICADMO C[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(N)=O)C1)Cc1ccccc1 ZINC001554288601 1072536118 /nfs/dbraw/zinc/53/61/18/1072536118.db2.gz NTXWXNSSSPVVRH-SFHVURJKSA-N 1 1 425.537 0.958 20 0 ICADMO C[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCNC(=O)CC1)Cc1ccc(F)cc1 ZINC001554292430 1072535977 /nfs/dbraw/zinc/53/59/77/1072535977.db2.gz WHJWTBZIGPSBNM-KRWDZBQOSA-N 1 1 429.500 0.827 20 0 ICADMO C[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCNC(=O)CC1)Cc1ccc(F)cc1 ZINC001554292431 1072536073 /nfs/dbraw/zinc/53/60/73/1072536073.db2.gz WHJWTBZIGPSBNM-QGZVFWFLSA-N 1 1 429.500 0.827 20 0 ICADMO C[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)CC1)C1CCCC1 ZINC001554295626 1072536535 /nfs/dbraw/zinc/53/65/35/1072536535.db2.gz YBRGABSVHCLESP-HNNXBMFYSA-N 1 1 429.612 0.623 20 0 ICADMO C[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)CC1)C1CCCC1 ZINC001554295627 1072536607 /nfs/dbraw/zinc/53/66/07/1072536607.db2.gz YBRGABSVHCLESP-OAHLLOKOSA-N 1 1 429.612 0.623 20 0 ICADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1COCCO1 ZINC001554299176 1072537253 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Cn1cc(-c2nnc(N3CC[C@H](C[NH+]4CCOCC4)C3)n2CCSCCCO)cn1 ZINC001554329819 1072548700 /nfs/dbraw/zinc/54/87/00/1072548700.db2.gz QYEUXPAQRHUWIA-QGZVFWFLSA-N 1 1 435.598 0.953 20 0 ICADMO Cn1cc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC[N@H+]2CCOC(C)(C)C2)cn1 ZINC001554332146 1072549293 /nfs/dbraw/zinc/54/92/93/1072549293.db2.gz SKOJADROECGOHM-UHFFFAOYSA-N 1 1 446.556 0.260 20 0 ICADMO Cn1cc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC[N@@H+]2CCOC(C)(C)C2)cn1 ZINC001554332146 1072549276 /nfs/dbraw/zinc/54/92/76/1072549276.db2.gz SKOJADROECGOHM-UHFFFAOYSA-N 1 1 446.556 0.260 20 0 ICADMO Cn1cc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC(=O)N2CCOCC2)cn1 ZINC001554332771 1072550489 /nfs/dbraw/zinc/55/04/89/1072550489.db2.gz PPGQWPJAERXVIY-UHFFFAOYSA-N 1 1 430.557 0.848 20 0 ICADMO Cn1cc(-c2nnc(N3CC[N@H+]4CCCC[C@H]4C3)n2CCOCCS(C)(=O)=O)cn1 ZINC001554333908 1072550855 /nfs/dbraw/zinc/55/08/55/1072550855.db2.gz UCPLKTUJQJSGCO-KRWDZBQOSA-N 1 1 437.570 0.414 20 0 ICADMO Cn1cc(-c2nnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2CCOCCS(C)(=O)=O)cn1 ZINC001554333909 1072551023 /nfs/dbraw/zinc/55/10/23/1072551023.db2.gz UCPLKTUJQJSGCO-QGZVFWFLSA-N 1 1 437.570 0.414 20 0 ICADMO Cn1cccc1-c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC(=O)NCC(F)F ZINC001554346016 1072554929 /nfs/dbraw/zinc/55/49/29/1072554929.db2.gz KHAXJFOYGUGNGQ-FQEVSTJZSA-N 1 1 437.495 0.966 20 0 ICADMO Cn1cccc1-c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC(=O)NCC(F)F ZINC001554346017 1072555035 /nfs/dbraw/zinc/55/50/35/1072555035.db2.gz KHAXJFOYGUGNGQ-HXUWFJFHSA-N 1 1 437.495 0.966 20 0 ICADMO Cn1cccc1-c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCCS(C)(=O)=O ZINC001554347095 1072554809 /nfs/dbraw/zinc/55/48/09/1072554809.db2.gz XNZUQYUOCSMLAL-KRWDZBQOSA-N 1 1 436.582 0.877 20 0 ICADMO Cn1cccc1-c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCCS(C)(=O)=O ZINC001554347096 1072554906 /nfs/dbraw/zinc/55/49/06/1072554906.db2.gz XNZUQYUOCSMLAL-QGZVFWFLSA-N 1 1 436.582 0.877 20 0 ICADMO Cn1cccc1-c1nnc(N2CCS(=O)(=O)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001554350489 1072555478 /nfs/dbraw/zinc/55/54/78/1072555478.db2.gz MNHVGGZNTDKMOZ-KRWDZBQOSA-N 1 1 436.582 0.755 20 0 ICADMO Cn1cccc1-c1nnc(N2CCS(=O)(=O)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001554350491 1072555646 /nfs/dbraw/zinc/55/56/46/1072555646.db2.gz MNHVGGZNTDKMOZ-QGZVFWFLSA-N 1 1 436.582 0.755 20 0 ICADMO Cn1cccc1-c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC(=O)NCC(F)(F)F ZINC001554350576 1072555606 /nfs/dbraw/zinc/55/56/06/1072555606.db2.gz YFPHRAAKAYWROR-CYBMUJFWSA-N 1 1 427.431 0.483 20 0 ICADMO Cn1cccc1-c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC(=O)NCC(F)(F)F ZINC001554350576 1072555588 /nfs/dbraw/zinc/55/55/88/1072555588.db2.gz YFPHRAAKAYWROR-CYBMUJFWSA-N 1 1 427.431 0.483 20 0 ICADMO Cn1cccc1-c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC(=O)NCC(F)(F)F ZINC001554350577 1072556258 /nfs/dbraw/zinc/55/62/58/1072556258.db2.gz YFPHRAAKAYWROR-ZDUSSCGKSA-N 1 1 427.431 0.483 20 0 ICADMO Cn1cccc1-c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC(=O)NCC(F)(F)F ZINC001554350577 1072556245 /nfs/dbraw/zinc/55/62/45/1072556245.db2.gz YFPHRAAKAYWROR-ZDUSSCGKSA-N 1 1 427.431 0.483 20 0 ICADMO CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001554355679 1072559259 /nfs/dbraw/zinc/55/92/59/1072559259.db2.gz BBGPZNRPEKVMFA-KRWDZBQOSA-N 1 1 443.961 0.046 20 0 ICADMO CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001554355681 1072559458 /nfs/dbraw/zinc/55/94/58/1072559458.db2.gz BBGPZNRPEKVMFA-QGZVFWFLSA-N 1 1 443.961 0.046 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(-c3cccnc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC001554355698 1072559423 /nfs/dbraw/zinc/55/94/23/1072559423.db2.gz BFSGCVLLGWVFBS-JXFKEZNVSA-N 1 1 449.581 0.172 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(-c3cccnc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC001554355700 1072559326 /nfs/dbraw/zinc/55/93/26/1072559326.db2.gz BFSGCVLLGWVFBS-OXJNMPFZSA-N 1 1 449.581 0.172 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(-c3cccnc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC001554355701 1072559879 /nfs/dbraw/zinc/55/98/79/1072559879.db2.gz BFSGCVLLGWVFBS-OXQOHEQNSA-N 1 1 449.581 0.172 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(-c3cccnc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC001554355702 1072559785 /nfs/dbraw/zinc/55/97/85/1072559785.db2.gz BFSGCVLLGWVFBS-UZLBHIALSA-N 1 1 449.581 0.172 20 0 ICADMO CN(CCc1cnccn1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001554356040 1072559943 /nfs/dbraw/zinc/55/99/43/1072559943.db2.gz DRQKEQLIXZHSLB-NRFANRHFSA-N 1 1 437.508 0.461 20 0 ICADMO CN(CCc1cnccn1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001554356041 1072559842 /nfs/dbraw/zinc/55/98/42/1072559842.db2.gz DRQKEQLIXZHSLB-OAQYLSRUSA-N 1 1 437.508 0.461 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(-c3ccccc3F)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001554356139 1072559969 /nfs/dbraw/zinc/55/99/69/1072559969.db2.gz FPZBZUHLSJPWSE-IBGZPJMESA-N 1 1 438.529 0.232 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(-c3ccccc3F)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001554356140 1072559919 /nfs/dbraw/zinc/55/99/19/1072559919.db2.gz FPZBZUHLSJPWSE-LJQANCHMSA-N 1 1 438.529 0.232 20 0 ICADMO CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(Cl)c2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001554356247 1072559986 /nfs/dbraw/zinc/55/99/86/1072559986.db2.gz HTGPYBPURLJZEN-NRFANRHFSA-N 1 1 448.955 0.960 20 0 ICADMO CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001554356248 1072559860 /nfs/dbraw/zinc/55/98/60/1072559860.db2.gz HTGPYBPURLJZEN-OAQYLSRUSA-N 1 1 448.955 0.960 20 0 ICADMO CN(CC(=O)N1CCOCC1)c1nnc(-c2ccccc2F)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001554356335 1072559817 /nfs/dbraw/zinc/55/98/17/1072559817.db2.gz JRROLETWJOVHBE-NRFANRHFSA-N 1 1 432.500 0.446 20 0 ICADMO CN(CC(=O)N1CCOCC1)c1nnc(-c2ccccc2F)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001554356336 1072559901 /nfs/dbraw/zinc/55/99/01/1072559901.db2.gz JRROLETWJOVHBE-OAQYLSRUSA-N 1 1 432.500 0.446 20 0 ICADMO CN(CCOCC1CC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001554356479 1072560335 /nfs/dbraw/zinc/56/03/35/1072560335.db2.gz MYUNRVNZMKXPEA-NRFANRHFSA-N 1 1 429.525 0.855 20 0 ICADMO CN(CCOCC1CC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001554356480 1072560511 /nfs/dbraw/zinc/56/05/11/1072560511.db2.gz MYUNRVNZMKXPEA-OAQYLSRUSA-N 1 1 429.525 0.855 20 0 ICADMO CN(Cc1ncc(Cl)n1C)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001554356683 1072560466 /nfs/dbraw/zinc/56/04/66/1072560466.db2.gz QXYWLJGNZFSXFA-IBGZPJMESA-N 1 1 436.948 0.604 20 0 ICADMO CN(Cc1ncc(Cl)n1C)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001554356684 1072560539 /nfs/dbraw/zinc/56/05/39/1072560539.db2.gz QXYWLJGNZFSXFA-LJQANCHMSA-N 1 1 436.948 0.604 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCNC(=O)CC2)C1 ZINC001554356695 1072560686 /nfs/dbraw/zinc/56/06/86/1072560686.db2.gz RDYAFOLNTLZCBV-FQEVSTJZSA-N 1 1 436.463 0.939 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCNC(=O)CC2)C1 ZINC001554356696 1072560866 /nfs/dbraw/zinc/56/08/66/1072560866.db2.gz RDYAFOLNTLZCBV-HXUWFJFHSA-N 1 1 436.463 0.939 20 0 ICADMO CN(Cc1ccc(C(N)=O)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001554357065 1072560410 /nfs/dbraw/zinc/56/04/10/1072560410.db2.gz ZIKHYDSOBZUYNN-JOCHJYFZSA-N 1 1 441.536 0.316 20 0 ICADMO CN(Cc1ccc(C(N)=O)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001554357066 1072560483 /nfs/dbraw/zinc/56/04/83/1072560483.db2.gz ZIKHYDSOBZUYNN-QFIPXVFZSA-N 1 1 441.536 0.316 20 0 ICADMO CN(CCN1CCOC(C)(C)C1)c1nnc(Cc2ccncc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001554357141 1072560782 /nfs/dbraw/zinc/56/07/82/1072560782.db2.gz AMCCXSFTQDDWAY-HSZRJFAPSA-N 1 1 443.596 0.878 20 0 ICADMO CN(CCN1CCOC(C)(C)C1)c1nnc(Cc2ccncc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001554357142 1072560605 /nfs/dbraw/zinc/56/06/05/1072560605.db2.gz AMCCXSFTQDDWAY-QHCPKHFHSA-N 1 1 443.596 0.878 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(Cc3ccccn3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001554357291 1072561258 /nfs/dbraw/zinc/56/12/58/1072561258.db2.gz DCUYZLPHRHDZNL-GHTZIAJQSA-N 1 1 448.593 0.734 20 0 ICADMO C[N@@H+]1CC[C@](O)(Cn2c(Cc3ccccn3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001554357291 1072561246 /nfs/dbraw/zinc/56/12/46/1072561246.db2.gz DCUYZLPHRHDZNL-GHTZIAJQSA-N 1 1 448.593 0.734 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(Cc3ccccn3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001554357292 1072561367 /nfs/dbraw/zinc/56/13/67/1072561367.db2.gz DCUYZLPHRHDZNL-NQIIRXRSSA-N 1 1 448.593 0.734 20 0 ICADMO C[N@@H+]1CC[C@@](O)(Cn2c(Cc3ccccn3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001554357292 1072561354 /nfs/dbraw/zinc/56/13/54/1072561354.db2.gz DCUYZLPHRHDZNL-NQIIRXRSSA-N 1 1 448.593 0.734 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(Cc3ccccn3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001554357293 1072561621 /nfs/dbraw/zinc/56/16/21/1072561621.db2.gz DCUYZLPHRHDZNL-RXVVDRJESA-N 1 1 448.593 0.734 20 0 ICADMO C[N@@H+]1CC[C@@](O)(Cn2c(Cc3ccccn3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001554357293 1072561618 /nfs/dbraw/zinc/56/16/18/1072561618.db2.gz DCUYZLPHRHDZNL-RXVVDRJESA-N 1 1 448.593 0.734 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(Cc3ccccn3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001554357294 1072561662 /nfs/dbraw/zinc/56/16/62/1072561662.db2.gz DCUYZLPHRHDZNL-WIYYLYMNSA-N 1 1 448.593 0.734 20 0 ICADMO C[N@@H+]1CC[C@](O)(Cn2c(Cc3ccccn3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001554357294 1072561650 /nfs/dbraw/zinc/56/16/50/1072561650.db2.gz DCUYZLPHRHDZNL-WIYYLYMNSA-N 1 1 448.593 0.734 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(Cc3ccccc3F)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001554357509 1072561185 /nfs/dbraw/zinc/56/11/85/1072561185.db2.gz GQDQIBXBTNAMKR-JXFKEZNVSA-N 1 1 437.541 0.698 20 0 ICADMO C[N@@H+]1CC[C@@](O)(Cn2c(Cc3ccccc3F)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001554357509 1072561173 /nfs/dbraw/zinc/56/11/73/1072561173.db2.gz GQDQIBXBTNAMKR-JXFKEZNVSA-N 1 1 437.541 0.698 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(Cc3ccccc3F)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001554357510 1072561298 /nfs/dbraw/zinc/56/12/98/1072561298.db2.gz GQDQIBXBTNAMKR-OXJNMPFZSA-N 1 1 437.541 0.698 20 0 ICADMO C[N@@H+]1CC[C@](O)(Cn2c(Cc3ccccc3F)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001554357510 1072561285 /nfs/dbraw/zinc/56/12/85/1072561285.db2.gz GQDQIBXBTNAMKR-OXJNMPFZSA-N 1 1 437.541 0.698 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(Cc3ccccc3F)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001554357511 1072561425 /nfs/dbraw/zinc/56/14/25/1072561425.db2.gz GQDQIBXBTNAMKR-OXQOHEQNSA-N 1 1 437.541 0.698 20 0 ICADMO C[N@@H+]1CC[C@](O)(Cn2c(Cc3ccccc3F)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001554357511 1072561416 /nfs/dbraw/zinc/56/14/16/1072561416.db2.gz GQDQIBXBTNAMKR-OXQOHEQNSA-N 1 1 437.541 0.698 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(Cc3ccccc3F)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001554357512 1072561545 /nfs/dbraw/zinc/56/15/45/1072561545.db2.gz GQDQIBXBTNAMKR-UZLBHIALSA-N 1 1 437.541 0.698 20 0 ICADMO C[N@@H+]1CC[C@@](O)(Cn2c(Cc3ccccc3F)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001554357512 1072561535 /nfs/dbraw/zinc/56/15/35/1072561535.db2.gz GQDQIBXBTNAMKR-UZLBHIALSA-N 1 1 437.541 0.698 20 0 ICADMO CN(CCCNC(=O)C1CCC1)c1nnc(-c2cnccn2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001554357596 1072561510 /nfs/dbraw/zinc/56/15/10/1072561510.db2.gz HVYDVAKCRNIQAW-NRFANRHFSA-N 1 1 428.541 0.544 20 0 ICADMO CN(CCCNC(=O)C1CCC1)c1nnc(-c2cnccn2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001554357598 1072561605 /nfs/dbraw/zinc/56/16/05/1072561605.db2.gz HVYDVAKCRNIQAW-OAQYLSRUSA-N 1 1 428.541 0.544 20 0 ICADMO CN(C[C@H]1CCOC1)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001554357691 1072561581 /nfs/dbraw/zinc/56/15/81/1072561581.db2.gz GKJBITSNGPJDJD-FOIQADDNSA-N 1 1 434.566 0.809 20 0 ICADMO CN(C[C@@H]1CCOC1)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001554357692 1072561488 /nfs/dbraw/zinc/56/14/88/1072561488.db2.gz GKJBITSNGPJDJD-MGPUTAFESA-N 1 1 434.566 0.809 20 0 ICADMO CN(C[C@H]1CCOC1)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001554357693 1072561210 /nfs/dbraw/zinc/56/12/10/1072561210.db2.gz GKJBITSNGPJDJD-QRWLVFNGSA-N 1 1 434.566 0.809 20 0 ICADMO CN(C[C@@H]1CCOC1)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001554357694 1072561145 /nfs/dbraw/zinc/56/11/45/1072561145.db2.gz GKJBITSNGPJDJD-YWZLYKJASA-N 1 1 434.566 0.809 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(Cc3ccsc3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001554357705 1072561565 /nfs/dbraw/zinc/56/15/65/1072561565.db2.gz IIWDUWPDZUESNT-GOSISDBHSA-N 1 1 440.595 0.079 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(Cc3ccsc3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001554357706 1072561462 /nfs/dbraw/zinc/56/14/62/1072561462.db2.gz IIWDUWPDZUESNT-SFHVURJKSA-N 1 1 440.595 0.079 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c([C@@H]3CCCOC3)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001554357863 1072561631 /nfs/dbraw/zinc/56/16/31/1072561631.db2.gz JPNFXXFVRANEOK-CRAIPNDOSA-N 1 1 432.491 0.923 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c([C@H]3CCCOC3)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001554357866 1072562442 /nfs/dbraw/zinc/56/24/42/1072562442.db2.gz JPNFXXFVRANEOK-MAUKXSAKSA-N 1 1 432.491 0.923 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c([C@@H]3CCCOC3)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001554357895 1072562416 /nfs/dbraw/zinc/56/24/16/1072562416.db2.gz JPNFXXFVRANEOK-QAPCUYQASA-N 1 1 432.491 0.923 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c([C@H]3CCCOC3)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001554357896 1072562616 /nfs/dbraw/zinc/56/26/16/1072562616.db2.gz JPNFXXFVRANEOK-YJBOKZPZSA-N 1 1 432.491 0.923 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(CCc3ccccc3)nnc2N2CCC(OCC(N)=O)CC2)C1 ZINC001554357899 1072562086 /nfs/dbraw/zinc/56/20/86/1072562086.db2.gz JPXAGGDDAMGYHJ-HSZRJFAPSA-N 1 1 442.564 0.601 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(CCc3ccccc3)nnc2N2CCC(OCC(N)=O)CC2)C1 ZINC001554357900 1072562047 /nfs/dbraw/zinc/56/20/47/1072562047.db2.gz JPXAGGDDAMGYHJ-QHCPKHFHSA-N 1 1 442.564 0.601 20 0 ICADMO Cn1cc(Nc2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CC[N@@H+](C)C2)cn1 ZINC001554357975 1072562589 /nfs/dbraw/zinc/56/25/89/1072562589.db2.gz JVFOXKSQRNPAKE-IBGZPJMESA-N 1 1 431.522 0.892 20 0 ICADMO Cn1cc(Nc2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)cn1 ZINC001554357977 1072562030 /nfs/dbraw/zinc/56/20/30/1072562030.db2.gz JVFOXKSQRNPAKE-LJQANCHMSA-N 1 1 431.522 0.892 20 0 ICADMO CN(c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001554358064 1072562549 /nfs/dbraw/zinc/56/25/49/1072562549.db2.gz LPXMYJUBRUZBCD-FXAWDEMLSA-N 1 1 437.541 0.698 20 0 ICADMO CN(c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CC[N@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001554358064 1072562539 /nfs/dbraw/zinc/56/25/39/1072562539.db2.gz LPXMYJUBRUZBCD-FXAWDEMLSA-N 1 1 437.541 0.698 20 0 ICADMO CN(c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CC[N@@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001554358066 1072562012 /nfs/dbraw/zinc/56/20/12/1072562012.db2.gz LPXMYJUBRUZBCD-PXNSSMCTSA-N 1 1 437.541 0.698 20 0 ICADMO CN(c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CC[N@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001554358066 1072561997 /nfs/dbraw/zinc/56/19/97/1072561997.db2.gz LPXMYJUBRUZBCD-PXNSSMCTSA-N 1 1 437.541 0.698 20 0 ICADMO 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C[N@H+]1CC[C@@](O)(Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC001554358096 1072562141 /nfs/dbraw/zinc/56/21/41/1072562141.db2.gz LTOYSRMMKIRLMM-JTSKRJEESA-N 1 1 434.585 0.761 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC001554358097 1072562326 /nfs/dbraw/zinc/56/23/26/1072562326.db2.gz LTOYSRMMKIRLMM-VGOFRKELSA-N 1 1 434.585 0.761 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC001554358098 1072562164 /nfs/dbraw/zinc/56/21/64/1072562164.db2.gz LTOYSRMMKIRLMM-VGSWGCGISA-N 1 1 434.585 0.761 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCSC(C)(C)C2)C1 ZINC001554358127 1072562198 /nfs/dbraw/zinc/56/21/98/1072562198.db2.gz MEPBSHHUHJPIAG-KBXCAEBGSA-N 1 1 429.612 0.579 20 0 ICADMO C[N@@H+]1CC[C@](O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCSC(C)(C)C2)C1 ZINC001554358127 1072562185 /nfs/dbraw/zinc/56/21/85/1072562185.db2.gz MEPBSHHUHJPIAG-KBXCAEBGSA-N 1 1 429.612 0.579 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCSC(C)(C)C2)C1 ZINC001554358128 1072562379 /nfs/dbraw/zinc/56/23/79/1072562379.db2.gz MEPBSHHUHJPIAG-KDOFPFPSSA-N 1 1 429.612 0.579 20 0 ICADMO C[N@@H+]1CC[C@@](O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCSC(C)(C)C2)C1 ZINC001554358128 1072562363 /nfs/dbraw/zinc/56/23/63/1072562363.db2.gz MEPBSHHUHJPIAG-KDOFPFPSSA-N 1 1 429.612 0.579 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCSC(C)(C)C2)C1 ZINC001554358129 1072562070 /nfs/dbraw/zinc/56/20/70/1072562070.db2.gz MEPBSHHUHJPIAG-KSSFIOAISA-N 1 1 429.612 0.579 20 0 ICADMO C[N@@H+]1CC[C@@](O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCSC(C)(C)C2)C1 ZINC001554358129 1072562061 /nfs/dbraw/zinc/56/20/61/1072562061.db2.gz MEPBSHHUHJPIAG-KSSFIOAISA-N 1 1 429.612 0.579 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCSC(C)(C)C2)C1 ZINC001554358130 1072562120 /nfs/dbraw/zinc/56/21/20/1072562120.db2.gz MEPBSHHUHJPIAG-RDTXWAMCSA-N 1 1 429.612 0.579 20 0 ICADMO C[N@@H+]1CC[C@](O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCSC(C)(C)C2)C1 ZINC001554358130 1072562107 /nfs/dbraw/zinc/56/21/07/1072562107.db2.gz MEPBSHHUHJPIAG-RDTXWAMCSA-N 1 1 429.612 0.579 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(C3CCC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C1 ZINC001554358133 1072563355 /nfs/dbraw/zinc/56/33/55/1072563355.db2.gz MJJATKZAZYSBQV-IBGZPJMESA-N 1 1 426.587 0.378 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(C3CCC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C1 ZINC001554358134 1072563476 /nfs/dbraw/zinc/56/34/76/1072563476.db2.gz MJJATKZAZYSBQV-LJQANCHMSA-N 1 1 426.587 0.378 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[C@@H](C(N)=O)C2)C1 ZINC001554358279 1072563080 /nfs/dbraw/zinc/56/30/80/1072563080.db2.gz OOLKXTJWANJPDW-JLTOFOAXSA-N 1 1 434.928 0.889 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[C@H](C(N)=O)C2)C1 ZINC001554358280 1072563013 /nfs/dbraw/zinc/56/30/13/1072563013.db2.gz OOLKXTJWANJPDW-VBKZILBWSA-N 1 1 434.928 0.889 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[C@@H](C(N)=O)C2)C1 ZINC001554358281 1072563170 /nfs/dbraw/zinc/56/31/70/1072563170.db2.gz OOLKXTJWANJPDW-VLIAUNLRSA-N 1 1 434.928 0.889 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[C@H](C(N)=O)C2)C1 ZINC001554358282 1072563331 /nfs/dbraw/zinc/56/33/31/1072563331.db2.gz OOLKXTJWANJPDW-XOBRGWDASA-N 1 1 434.928 0.889 20 0 ICADMO CN(C)C(=O)CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001554358288 1072563275 /nfs/dbraw/zinc/56/32/75/1072563275.db2.gz OSTFFELHVLVWNQ-JOCHJYFZSA-N 1 1 447.584 0.162 20 0 ICADMO CN(C)C(=O)CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001554358289 1072563150 /nfs/dbraw/zinc/56/31/50/1072563150.db2.gz OSTFFELHVLVWNQ-QFIPXVFZSA-N 1 1 447.584 0.162 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001554358290 1072563114 /nfs/dbraw/zinc/56/31/14/1072563114.db2.gz OTUXGAKRHYTMRN-NRFANRHFSA-N 1 1 432.500 0.765 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001554358291 1072563384 /nfs/dbraw/zinc/56/33/84/1072563384.db2.gz OTUXGAKRHYTMRN-OAQYLSRUSA-N 1 1 432.500 0.765 20 0 ICADMO CN(C[C@@H]1CCCN(c2nnc(C3CCC3)n2C[C@]2(O)CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC001554358385 1072563301 /nfs/dbraw/zinc/56/33/01/1072563301.db2.gz OTEWKZJAVVXTSE-JXFKEZNVSA-N 1 1 440.614 0.720 20 0 ICADMO CN(C[C@@H]1CCCN(c2nnc(C3CCC3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC001554358386 1072563192 /nfs/dbraw/zinc/56/31/92/1072563192.db2.gz OTEWKZJAVVXTSE-OXJNMPFZSA-N 1 1 440.614 0.720 20 0 ICADMO CN(C[C@H]1CCCN(c2nnc(C3CCC3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC001554358388 1072563550 /nfs/dbraw/zinc/56/35/50/1072563550.db2.gz OTEWKZJAVVXTSE-OXQOHEQNSA-N 1 1 440.614 0.720 20 0 ICADMO CN(C[C@H]1CCCN(c2nnc(C3CCC3)n2C[C@]2(O)CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC001554358389 1072563042 /nfs/dbraw/zinc/56/30/42/1072563042.db2.gz OTEWKZJAVVXTSE-UZLBHIALSA-N 1 1 440.614 0.720 20 0 ICADMO CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001554358391 1072563406 /nfs/dbraw/zinc/56/34/06/1072563406.db2.gz OTXXGDZDDFIHBI-JOCHJYFZSA-N 1 1 446.600 0.540 20 0 ICADMO CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001554358392 1072563222 /nfs/dbraw/zinc/56/32/22/1072563222.db2.gz OTXXGDZDDFIHBI-QFIPXVFZSA-N 1 1 446.600 0.540 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(CN3CCCC3=O)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001554358394 1072562971 /nfs/dbraw/zinc/56/29/71/1072562971.db2.gz PCRFWYHNCPUPAD-GOSISDBHSA-N 1 1 445.490 0.151 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(CN3CCCC3=O)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001554358398 1072563254 /nfs/dbraw/zinc/56/32/54/1072563254.db2.gz PCRFWYHNCPUPAD-SFHVURJKSA-N 1 1 445.490 0.151 20 0 ICADMO CN(Cc1ncnn1CC(F)F)c1nnc(Cc2ccncc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001554358793 1072563513 /nfs/dbraw/zinc/56/35/13/1072563513.db2.gz SUPLGBYPYLPILA-FQEVSTJZSA-N 1 1 447.494 0.824 20 0 ICADMO 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ZINC001554364655 1072569226 /nfs/dbraw/zinc/56/92/26/1072569226.db2.gz RTJJEHTYNVWAIC-UHFFFAOYSA-N 1 1 426.569 0.616 20 0 ICADMO C[N@H+]1CCN(CCn2c(Cc3ccncc3)nnc2N2CCNC(=O)CC2)CC1(C)C ZINC001554364655 1072569208 /nfs/dbraw/zinc/56/92/08/1072569208.db2.gz RTJJEHTYNVWAIC-UHFFFAOYSA-N 1 1 426.569 0.616 20 0 ICADMO CN1CC[N@@H+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CC1(C)C ZINC001554364861 1072569409 /nfs/dbraw/zinc/56/94/09/1072569409.db2.gz VHKKSEYWAQGKEX-KRWDZBQOSA-N 1 1 446.600 0.347 20 0 ICADMO CN1CC[N@H+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CC1(C)C ZINC001554364861 1072569396 /nfs/dbraw/zinc/56/93/96/1072569396.db2.gz VHKKSEYWAQGKEX-KRWDZBQOSA-N 1 1 446.600 0.347 20 0 ICADMO C[N@H+]1CCN(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CC1(C)C ZINC001554364861 1072569380 /nfs/dbraw/zinc/56/93/80/1072569380.db2.gz VHKKSEYWAQGKEX-KRWDZBQOSA-N 1 1 446.600 0.347 20 0 ICADMO CN1CC[N@@H+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CC1(C)C ZINC001554364862 1072569141 /nfs/dbraw/zinc/56/91/41/1072569141.db2.gz VHKKSEYWAQGKEX-QGZVFWFLSA-N 1 1 446.600 0.347 20 0 ICADMO CN1CC[N@H+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CC1(C)C ZINC001554364862 1072569132 /nfs/dbraw/zinc/56/91/32/1072569132.db2.gz VHKKSEYWAQGKEX-QGZVFWFLSA-N 1 1 446.600 0.347 20 0 ICADMO C[N@H+]1CCN(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CC1(C)C ZINC001554364862 1072569120 /nfs/dbraw/zinc/56/91/20/1072569120.db2.gz VHKKSEYWAQGKEX-QGZVFWFLSA-N 1 1 446.600 0.347 20 0 ICADMO C[N@H+]1CCN(CCn2c(Cc3cccnc3)nnc2N2CCS(=O)(=O)CC2)CC1(C)C ZINC001554365039 1072569294 /nfs/dbraw/zinc/56/92/94/1072569294.db2.gz XKKYAAXNGSSHOK-UHFFFAOYSA-N 1 1 447.609 0.525 20 0 ICADMO CNC(=O)C(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001554367845 1072571513 /nfs/dbraw/zinc/57/15/13/1072571513.db2.gz CKSCBNZYPKXEIQ-HNNXBMFYSA-N 1 1 442.524 0.218 20 0 ICADMO CNC(=O)C(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001554367845 1072571505 /nfs/dbraw/zinc/57/15/05/1072571505.db2.gz CKSCBNZYPKXEIQ-HNNXBMFYSA-N 1 1 442.524 0.218 20 0 ICADMO CNC(=O)C(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001554367847 1072571822 /nfs/dbraw/zinc/57/18/22/1072571822.db2.gz CKSCBNZYPKXEIQ-OAHLLOKOSA-N 1 1 442.524 0.218 20 0 ICADMO CNC(=O)C(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001554367847 1072571807 /nfs/dbraw/zinc/57/18/07/1072571807.db2.gz CKSCBNZYPKXEIQ-OAHLLOKOSA-N 1 1 442.524 0.218 20 0 ICADMO Cn1nncc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001554368471 1072571681 /nfs/dbraw/zinc/57/16/81/1072571681.db2.gz RNMWGNFUXRVKNI-HNNXBMFYSA-N 1 1 436.586 0.668 20 0 ICADMO Cn1nncc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001554368472 1072571874 /nfs/dbraw/zinc/57/18/74/1072571874.db2.gz RNMWGNFUXRVKNI-OAHLLOKOSA-N 1 1 436.586 0.668 20 0 ICADMO CNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001554368624 1072572232 /nfs/dbraw/zinc/57/22/32/1072572232.db2.gz UFFKZPUVGYJQAU-INIZCTEOSA-N 1 1 435.573 0.443 20 0 ICADMO CNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001554368625 1072572443 /nfs/dbraw/zinc/57/24/43/1072572443.db2.gz UFFKZPUVGYJQAU-MRXNPFEDSA-N 1 1 435.573 0.443 20 0 ICADMO CNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001554376138 1072574823 /nfs/dbraw/zinc/57/48/23/1072574823.db2.gz IDYRORVOUBWBAI-UHFFFAOYSA-N 1 1 449.600 0.720 20 0 ICADMO CNC(=O)C(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001554377953 1072575370 /nfs/dbraw/zinc/57/53/70/1072575370.db2.gz SFMMCZZTGFEBFZ-KRWDZBQOSA-N 1 1 430.557 0.433 20 0 ICADMO CNC(=O)C(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001554377953 1072575352 /nfs/dbraw/zinc/57/53/52/1072575352.db2.gz SFMMCZZTGFEBFZ-KRWDZBQOSA-N 1 1 430.557 0.433 20 0 ICADMO CNC(=O)C(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001554377954 1072575431 /nfs/dbraw/zinc/57/54/31/1072575431.db2.gz SFMMCZZTGFEBFZ-QGZVFWFLSA-N 1 1 430.557 0.433 20 0 ICADMO CNC(=O)C(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001554377954 1072575420 /nfs/dbraw/zinc/57/54/20/1072575420.db2.gz SFMMCZZTGFEBFZ-QGZVFWFLSA-N 1 1 430.557 0.433 20 0 ICADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@@H]1C ZINC001554381754 1072577253 /nfs/dbraw/zinc/57/72/53/1072577253.db2.gz ONSKAXOQLBZROM-ILXRZTDVSA-N 1 1 429.591 0.191 20 0 ICADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@H]1C ZINC001554381755 1072577426 /nfs/dbraw/zinc/57/74/26/1072577426.db2.gz ONSKAXOQLBZROM-KFWWJZLASA-N 1 1 429.591 0.191 20 0 ICADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@@H]1C ZINC001554381757 1072577166 /nfs/dbraw/zinc/57/71/66/1072577166.db2.gz ONSKAXOQLBZROM-QLFBSQMISA-N 1 1 429.591 0.191 20 0 ICADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@H]1C ZINC001554381759 1072577299 /nfs/dbraw/zinc/57/72/99/1072577299.db2.gz ONSKAXOQLBZROM-RBSFLKMASA-N 1 1 429.591 0.191 20 0 ICADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cnccn2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001554386001 1072578298 /nfs/dbraw/zinc/57/82/98/1072578298.db2.gz AEJMZOBWDNVKTJ-DLBZAZTESA-N 1 1 430.557 0.910 20 0 ICADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cnccn2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001554386002 1072578387 /nfs/dbraw/zinc/57/83/87/1072578387.db2.gz AEJMZOBWDNVKTJ-IAGOWNOFSA-N 1 1 430.557 0.910 20 0 ICADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cnccn2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001554386003 1072578520 /nfs/dbraw/zinc/57/85/20/1072578520.db2.gz AEJMZOBWDNVKTJ-IRXDYDNUSA-N 1 1 430.557 0.910 20 0 ICADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cnccn2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001554386004 1072578573 /nfs/dbraw/zinc/57/85/73/1072578573.db2.gz AEJMZOBWDNVKTJ-SJORKVTESA-N 1 1 430.557 0.910 20 0 ICADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cnn(C)c2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001554387691 1072578835 /nfs/dbraw/zinc/57/88/35/1072578835.db2.gz IVADCCCCZIDXSN-KRWDZBQOSA-N 1 1 445.616 0.771 20 0 ICADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cnn(C)c2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001554387695 1072578928 /nfs/dbraw/zinc/57/89/28/1072578928.db2.gz IVADCCCCZIDXSN-QGZVFWFLSA-N 1 1 445.616 0.771 20 0 ICADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001554391777 1072581555 /nfs/dbraw/zinc/58/15/55/1072581555.db2.gz MQTOVNDWKPBMBQ-BZUAXINKSA-N 1 1 426.587 0.483 20 0 ICADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001554391778 1072581294 /nfs/dbraw/zinc/58/12/94/1072581294.db2.gz MQTOVNDWKPBMBQ-OAGGEKHMSA-N 1 1 426.587 0.483 20 0 ICADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001554391779 1072581402 /nfs/dbraw/zinc/58/14/02/1072581402.db2.gz MQTOVNDWKPBMBQ-OWCLPIDISA-N 1 1 426.587 0.483 20 0 ICADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001554391780 1072581497 /nfs/dbraw/zinc/58/14/97/1072581497.db2.gz MQTOVNDWKPBMBQ-PMPSAXMXSA-N 1 1 426.587 0.483 20 0 ICADMO CNC(=O)[C@@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2CCCC[NH+]2CCOCC2)C1 ZINC001554396423 1072583398 /nfs/dbraw/zinc/58/33/98/1072583398.db2.gz LWCGDXQEFQPZRS-NRFANRHFSA-N 1 1 435.573 0.491 20 0 ICADMO CNC(=O)[C@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2CCCC[NH+]2CCOCC2)C1 ZINC001554396424 1072583283 /nfs/dbraw/zinc/58/32/83/1072583283.db2.gz LWCGDXQEFQPZRS-OAQYLSRUSA-N 1 1 435.573 0.491 20 0 ICADMO CNC(=O)[C@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001554396860 1072583347 /nfs/dbraw/zinc/58/33/47/1072583347.db2.gz NWHWVTNAKSYIGQ-HYFFOGBASA-N 1 1 449.600 0.878 20 0 ICADMO CNC(=O)[C@@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001554396861 1072583093 /nfs/dbraw/zinc/58/30/93/1072583093.db2.gz NWHWVTNAKSYIGQ-JKSBSHDWSA-N 1 1 449.600 0.878 20 0 ICADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccn3C)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001554400298 1072585054 /nfs/dbraw/zinc/58/50/54/1072585054.db2.gz FYRNJUWDBQHVRF-JOCHJYFZSA-N 1 1 442.568 0.410 20 0 ICADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccn3C)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001554400300 1072585271 /nfs/dbraw/zinc/58/52/71/1072585271.db2.gz FYRNJUWDBQHVRF-QFIPXVFZSA-N 1 1 442.568 0.410 20 0 ICADMO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001554403717 1072586603 /nfs/dbraw/zinc/58/66/03/1072586603.db2.gz YVVPVTQQFBRFKR-BTYIYWSLSA-N 1 1 433.557 0.302 20 0 ICADMO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001554403717 1072586595 /nfs/dbraw/zinc/58/65/95/1072586595.db2.gz YVVPVTQQFBRFKR-BTYIYWSLSA-N 1 1 433.557 0.302 20 0 ICADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001554403718 1072586513 /nfs/dbraw/zinc/58/65/13/1072586513.db2.gz YVVPVTQQFBRFKR-QVKFZJNVSA-N 1 1 433.557 0.302 20 0 ICADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001554403718 1072586502 /nfs/dbraw/zinc/58/65/02/1072586502.db2.gz YVVPVTQQFBRFKR-QVKFZJNVSA-N 1 1 433.557 0.302 20 0 ICADMO CNC(=O)[C@@]1(C)CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001554403719 1072586709 /nfs/dbraw/zinc/58/67/09/1072586709.db2.gz YVVPVTQQFBRFKR-VFNWGFHPSA-N 1 1 433.557 0.302 20 0 ICADMO CNC(=O)[C@@]1(C)CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001554403719 1072586703 /nfs/dbraw/zinc/58/67/03/1072586703.db2.gz YVVPVTQQFBRFKR-VFNWGFHPSA-N 1 1 433.557 0.302 20 0 ICADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001554403720 1072586480 /nfs/dbraw/zinc/58/64/80/1072586480.db2.gz YVVPVTQQFBRFKR-YCRPNKLZSA-N 1 1 433.557 0.302 20 0 ICADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001554403720 1072586464 /nfs/dbraw/zinc/58/64/64/1072586464.db2.gz YVVPVTQQFBRFKR-YCRPNKLZSA-N 1 1 433.557 0.302 20 0 ICADMO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3cccnc3)n2CCC[NH+]2CCOCC2)C1 ZINC001554409872 1072590325 /nfs/dbraw/zinc/59/03/25/1072590325.db2.gz YHTWBNUDKLJQBJ-JOCHJYFZSA-N 1 1 427.553 0.949 20 0 ICADMO 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ZINC001554927281 1072713652 /nfs/dbraw/zinc/71/36/52/1072713652.db2.gz FFCZSDWODWDYHL-INIZCTEOSA-N 1 1 445.524 0.398 20 0 ICADMO COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[N@H+]3CCOC[C@H]3C2)c(OC)n1 ZINC001554927283 1072713732 /nfs/dbraw/zinc/71/37/32/1072713732.db2.gz FFCZSDWODWDYHL-MRXNPFEDSA-N 1 1 445.524 0.398 20 0 ICADMO COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[N@@H+]3CCOC[C@H]3C2)c(OC)n1 ZINC001554927283 1072713729 /nfs/dbraw/zinc/71/37/29/1072713729.db2.gz FFCZSDWODWDYHL-MRXNPFEDSA-N 1 1 445.524 0.398 20 0 ICADMO COc1cccc(-c2nnc(N(C)CC(=O)N3CCOCC3)n2C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001554994186 1072717783 /nfs/dbraw/zinc/71/77/83/1072717783.db2.gz AKWKWLVUCAUKND-JOCHJYFZSA-N 1 1 444.536 0.315 20 0 ICADMO COc1cccc(-c2nnc(N(C)CC(=O)N3CCOCC3)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001554994188 1072717723 /nfs/dbraw/zinc/71/77/23/1072717723.db2.gz AKWKWLVUCAUKND-QFIPXVFZSA-N 1 1 444.536 0.315 20 0 ICADMO COc1cccc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001555005237 1072718233 /nfs/dbraw/zinc/71/82/33/1072718233.db2.gz ODVAALBOCKEJCO-FXAWDEMLSA-N 1 1 435.550 0.644 20 0 ICADMO COc1cccc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001555005239 1072718211 /nfs/dbraw/zinc/71/82/11/1072718211.db2.gz ODVAALBOCKEJCO-PXNSSMCTSA-N 1 1 435.550 0.644 20 0 ICADMO COc1cccc(-c2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001555005241 1072718372 /nfs/dbraw/zinc/71/83/72/1072718372.db2.gz ODVAALBOCKEJCO-XLIONFOSSA-N 1 1 435.550 0.644 20 0 ICADMO COc1cccc(-c2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001555005243 1072718108 /nfs/dbraw/zinc/71/81/08/1072718108.db2.gz ODVAALBOCKEJCO-YLJYHZDGSA-N 1 1 435.550 0.644 20 0 ICADMO COc1cccc(-c2nnc(N3CCNC(=O)C3)n2CC[NH+]2CCN(C(C)=O)CC2)c1 ZINC001555011209 1072718356 /nfs/dbraw/zinc/71/83/56/1072718356.db2.gz CRRUMNFCXCBNLJ-UHFFFAOYSA-N 1 1 427.509 0.054 20 0 ICADMO COc1cccc(-c2nnc(N3CCO[C@H](CNC(C)=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001555012939 1072718740 /nfs/dbraw/zinc/71/87/40/1072718740.db2.gz YBNIIWDQBHVKNC-DENIHFKCSA-N 1 1 444.536 0.362 20 0 ICADMO COc1cccc(-c2nnc(N3CCO[C@H](CNC(C)=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001555012941 1072718867 /nfs/dbraw/zinc/71/88/67/1072718867.db2.gz YBNIIWDQBHVKNC-KNQAVFIVSA-N 1 1 444.536 0.362 20 0 ICADMO COc1cccc(-c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001555012943 1072718686 /nfs/dbraw/zinc/71/86/86/1072718686.db2.gz YBNIIWDQBHVKNC-SIKLNZKXSA-N 1 1 444.536 0.362 20 0 ICADMO COc1cccc(-c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001555012945 1072719305 /nfs/dbraw/zinc/71/93/05/1072719305.db2.gz YBNIIWDQBHVKNC-UGKGYDQZSA-N 1 1 444.536 0.362 20 0 ICADMO COc1ccccc1-c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001555038135 1072719749 /nfs/dbraw/zinc/71/97/49/1072719749.db2.gz IWIMUVCDNORBAW-FOIQADDNSA-N 1 1 437.566 0.890 20 0 ICADMO COc1ccccc1-c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001555038137 1072719685 /nfs/dbraw/zinc/71/96/85/1072719685.db2.gz IWIMUVCDNORBAW-MGPUTAFESA-N 1 1 437.566 0.890 20 0 ICADMO COc1ccccc1-c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001555038139 1072719630 /nfs/dbraw/zinc/71/96/30/1072719630.db2.gz IWIMUVCDNORBAW-QRWLVFNGSA-N 1 1 437.566 0.890 20 0 ICADMO COc1ccccc1-c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001555038141 1072719772 /nfs/dbraw/zinc/71/97/72/1072719772.db2.gz IWIMUVCDNORBAW-YWZLYKJASA-N 1 1 437.566 0.890 20 0 ICADMO COc1ccccc1-c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001555039011 1072720182 /nfs/dbraw/zinc/72/01/82/1072720182.db2.gz XPNOBCUGORUSAH-FOIQADDNSA-N 1 1 435.550 0.644 20 0 ICADMO COc1ccccc1-c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001555039012 1072720138 /nfs/dbraw/zinc/72/01/38/1072720138.db2.gz XPNOBCUGORUSAH-MGPUTAFESA-N 1 1 435.550 0.644 20 0 ICADMO COc1ccccc1-c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001555039013 1072720225 /nfs/dbraw/zinc/72/02/25/1072720225.db2.gz XPNOBCUGORUSAH-QRWLVFNGSA-N 1 1 435.550 0.644 20 0 ICADMO COc1ccccc1-c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001555039014 1072720252 /nfs/dbraw/zinc/72/02/52/1072720252.db2.gz XPNOBCUGORUSAH-YWZLYKJASA-N 1 1 435.550 0.644 20 0 ICADMO COc1ccccc1Cc1nnc(N(C)CCS(C)(=O)=O)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001555065953 1072721513 /nfs/dbraw/zinc/72/15/13/1072721513.db2.gz BJQWCRGTJODMPI-FQEVSTJZSA-N 1 1 437.566 0.425 20 0 ICADMO COc1ccccc1Cc1nnc(N(C)CCS(C)(=O)=O)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001555065953 1072721503 /nfs/dbraw/zinc/72/15/03/1072721503.db2.gz BJQWCRGTJODMPI-FQEVSTJZSA-N 1 1 437.566 0.425 20 0 ICADMO COc1ccccc1Cc1nnc(N(C)CCS(C)(=O)=O)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001555065955 1072721625 /nfs/dbraw/zinc/72/16/25/1072721625.db2.gz BJQWCRGTJODMPI-HXUWFJFHSA-N 1 1 437.566 0.425 20 0 ICADMO COc1ccccc1Cc1nnc(N(C)CCS(C)(=O)=O)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001555065955 1072721623 /nfs/dbraw/zinc/72/16/23/1072721623.db2.gz BJQWCRGTJODMPI-HXUWFJFHSA-N 1 1 437.566 0.425 20 0 ICADMO COc1ccccc1C[NH+]1CCN(c2nnc(C)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001555089626 1072723277 /nfs/dbraw/zinc/72/32/77/1072723277.db2.gz BDVYWOPCYKFYDF-KRWDZBQOSA-N 1 1 427.509 0.906 20 0 ICADMO COc1ccccc1OCc1nnc(N2CCC(C(N)=O)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001555100658 1072723688 /nfs/dbraw/zinc/72/36/88/1072723688.db2.gz VLRMGKKNXDNJJV-JOCHJYFZSA-N 1 1 444.536 0.634 20 0 ICADMO COc1ccccc1OCc1nnc(N2CCC(C(N)=O)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001555100659 1072723841 /nfs/dbraw/zinc/72/38/41/1072723841.db2.gz VLRMGKKNXDNJJV-QFIPXVFZSA-N 1 1 444.536 0.634 20 0 ICADMO COc1ccccc1OCc1nnc(N2CCNC(=O)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001555106803 1072723808 /nfs/dbraw/zinc/72/38/08/1072723808.db2.gz BJYGQVDZXQJGTB-UHFFFAOYSA-N 1 1 444.536 0.913 20 0 ICADMO COc1ccccc1OCc1nnc(N2CCNC(=O)C2)n1CCC[NH+]1CCOCC1 ZINC001555107468 1072723735 /nfs/dbraw/zinc/72/37/35/1072723735.db2.gz KUJSIWDJUYKEGT-UHFFFAOYSA-N 1 1 430.509 0.524 20 0 ICADMO COc1ccccc1OCc1nnc(N2CCNC(=O)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001555108879 1072723669 /nfs/dbraw/zinc/72/36/69/1072723669.db2.gz ZMJVJXXVOUKYDH-NRFANRHFSA-N 1 1 430.509 0.259 20 0 ICADMO COc1ccccc1OCc1nnc(N2CCNC(=O)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001555108880 1072723662 /nfs/dbraw/zinc/72/36/62/1072723662.db2.gz ZMJVJXXVOUKYDH-OAQYLSRUSA-N 1 1 430.509 0.259 20 0 ICADMO CO[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001555148641 1072726953 /nfs/dbraw/zinc/72/69/53/1072726953.db2.gz XPRPLJMMVHPUNT-CVEARBPZSA-N 1 1 444.602 0.614 20 0 ICADMO CO[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001555148642 1072726985 /nfs/dbraw/zinc/72/69/85/1072726985.db2.gz XPRPLJMMVHPUNT-HOTGVXAUSA-N 1 1 444.602 0.614 20 0 ICADMO CO[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001555148643 1072727071 /nfs/dbraw/zinc/72/70/71/1072727071.db2.gz XPRPLJMMVHPUNT-HZPDHXFCSA-N 1 1 444.602 0.614 20 0 ICADMO CO[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001555148644 1072727046 /nfs/dbraw/zinc/72/70/46/1072727046.db2.gz XPRPLJMMVHPUNT-JKSUJKDBSA-N 1 1 444.602 0.614 20 0 ICADMO CO[C@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](C)C(C)C)C1 ZINC001555151809 1072727495 /nfs/dbraw/zinc/72/74/95/1072727495.db2.gz CHPGKCOJRFEXSU-DLBZAZTESA-N 1 1 444.602 0.566 20 0 ICADMO CO[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](C)C(C)C)C1 ZINC001555151810 1072727461 /nfs/dbraw/zinc/72/74/61/1072727461.db2.gz CHPGKCOJRFEXSU-IAGOWNOFSA-N 1 1 444.602 0.566 20 0 ICADMO CO[C@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](C)C(C)C)C1 ZINC001555151811 1072727401 /nfs/dbraw/zinc/72/74/01/1072727401.db2.gz CHPGKCOJRFEXSU-IRXDYDNUSA-N 1 1 444.602 0.566 20 0 ICADMO CO[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](C)C(C)C)C1 ZINC001555151812 1072727360 /nfs/dbraw/zinc/72/73/60/1072727360.db2.gz CHPGKCOJRFEXSU-SJORKVTESA-N 1 1 444.602 0.566 20 0 ICADMO COCC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001555194580 1072732186 /nfs/dbraw/zinc/73/21/86/1072732186.db2.gz GAVDOLUCKIRGGM-KRWDZBQOSA-N 1 1 433.557 0.293 20 0 ICADMO COCC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001555194581 1072732090 /nfs/dbraw/zinc/73/20/90/1072732090.db2.gz GAVDOLUCKIRGGM-QGZVFWFLSA-N 1 1 433.557 0.293 20 0 ICADMO COCC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001555194909 1072732539 /nfs/dbraw/zinc/73/25/39/1072732539.db2.gz IKTHBZAXQDFSKB-UHFFFAOYSA-N 1 1 449.600 0.976 20 0 ICADMO COCC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CCCn2cc[nH+]c2C)CC1 ZINC001555196253 1072733639 /nfs/dbraw/zinc/73/36/39/1072733639.db2.gz VJKOQMNOPMYJQS-UHFFFAOYSA-N 1 1 432.529 0.307 20 0 ICADMO COCC(=O)N1CCN(c2nnc(C(C)C)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001555196626 1072733605 /nfs/dbraw/zinc/73/36/05/1072733605.db2.gz ZYADTMQNSYAUKB-UHFFFAOYSA-N 1 1 435.617 0.970 20 0 ICADMO COCC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001555201160 1072735066 /nfs/dbraw/zinc/73/50/66/1072735066.db2.gz URGPLLNANSLFOG-FQEVSTJZSA-N 1 1 449.943 0.355 20 0 ICADMO COCC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001555201161 1072735026 /nfs/dbraw/zinc/73/50/26/1072735026.db2.gz URGPLLNANSLFOG-HXUWFJFHSA-N 1 1 449.943 0.355 20 0 ICADMO COCC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001555201998 1072735821 /nfs/dbraw/zinc/73/58/21/1072735821.db2.gz AOBPAMBHTSVDMC-GOSISDBHSA-N 1 1 447.584 0.789 20 0 ICADMO COCC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001555201999 1072735884 /nfs/dbraw/zinc/73/58/84/1072735884.db2.gz AOBPAMBHTSVDMC-SFHVURJKSA-N 1 1 447.584 0.789 20 0 ICADMO COCC(=O)N1CCN(c2nnc(C3CC3)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001555202061 1072735803 /nfs/dbraw/zinc/73/58/03/1072735803.db2.gz CANAGIZUTJFWMF-UHFFFAOYSA-N 1 1 433.601 0.724 20 0 ICADMO COCC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001555203270 1072737814 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COC[C@@H]1CCCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001555341114 1072760739 /nfs/dbraw/zinc/76/07/39/1072760739.db2.gz VAZWXCYTBKWZJD-HLIPFELVSA-N 1 1 441.598 0.500 20 0 ICADMO COC[C@@H]1CCCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001555341114 1072760729 /nfs/dbraw/zinc/76/07/29/1072760729.db2.gz VAZWXCYTBKWZJD-HLIPFELVSA-N 1 1 441.598 0.500 20 0 ICADMO COC[C@@H]1CCCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001555341115 1072761278 /nfs/dbraw/zinc/76/12/78/1072761278.db2.gz VAZWXCYTBKWZJD-MBOZVWFJSA-N 1 1 441.598 0.500 20 0 ICADMO COC[C@@H]1CCCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001555341115 1072761268 /nfs/dbraw/zinc/76/12/68/1072761268.db2.gz VAZWXCYTBKWZJD-MBOZVWFJSA-N 1 1 441.598 0.500 20 0 ICADMO COC[C@@H]1CCCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001555341116 1072761167 /nfs/dbraw/zinc/76/11/67/1072761167.db2.gz VAZWXCYTBKWZJD-UWVAXJGDSA-N 1 1 441.598 0.500 20 0 ICADMO COC[C@@H]1CCCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001555341116 1072761152 /nfs/dbraw/zinc/76/11/52/1072761152.db2.gz VAZWXCYTBKWZJD-UWVAXJGDSA-N 1 1 441.598 0.500 20 0 ICADMO COC[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001555358187 1072762910 /nfs/dbraw/zinc/76/29/10/1072762910.db2.gz OMTKSAZSJCZBRT-ARFHVFGLSA-N 1 1 437.570 0.820 20 0 ICADMO COC[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001555358188 1072762658 /nfs/dbraw/zinc/76/26/58/1072762658.db2.gz OMTKSAZSJCZBRT-BZUAXINKSA-N 1 1 437.570 0.820 20 0 ICADMO COC[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001555358189 1072762825 /nfs/dbraw/zinc/76/28/25/1072762825.db2.gz OMTKSAZSJCZBRT-HRCADAONSA-N 1 1 437.570 0.820 20 0 ICADMO COC[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001555358190 1072762850 /nfs/dbraw/zinc/76/28/50/1072762850.db2.gz OMTKSAZSJCZBRT-OWCLPIDISA-N 1 1 437.570 0.820 20 0 ICADMO COCC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2cc[nH+]c2C)CC1 ZINC001555358426 1072763431 /nfs/dbraw/zinc/76/34/31/1072763431.db2.gz RZPQSULIUWHHKP-AWEZNQCLSA-N 1 1 425.559 0.956 20 0 ICADMO COCC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2cc[nH+]c2C)CC1 ZINC001555358427 1072763359 /nfs/dbraw/zinc/76/33/59/1072763359.db2.gz RZPQSULIUWHHKP-CQSZACIVSA-N 1 1 425.559 0.956 20 0 ICADMO COC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCCC[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001555379305 1072766084 /nfs/dbraw/zinc/76/60/84/1072766084.db2.gz WLHUHAQFFNDGGK-MSOLQXFVSA-N 1 1 438.573 0.769 20 0 ICADMO COC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCCC[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001555379309 1072766041 /nfs/dbraw/zinc/76/60/41/1072766041.db2.gz WLHUHAQFFNDGGK-QZTJIDSGSA-N 1 1 438.573 0.769 20 0 ICADMO COC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC001555379311 1072766067 /nfs/dbraw/zinc/76/60/67/1072766067.db2.gz WLHUHAQFFNDGGK-ROUUACIJSA-N 1 1 438.573 0.769 20 0 ICADMO COC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC001555379313 1072765988 /nfs/dbraw/zinc/76/59/88/1072765988.db2.gz WLHUHAQFFNDGGK-ZWKOTPCHSA-N 1 1 438.573 0.769 20 0 ICADMO COC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCn2cc[nH+]c2C)CCO1 ZINC001555379532 1072766465 /nfs/dbraw/zinc/76/64/65/1072766465.db2.gz SMGVRXBDHZVFRS-INIZCTEOSA-N 1 1 426.481 0.982 20 0 ICADMO COC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCn2cc[nH+]c2C)CCO1 ZINC001555379533 1072766563 /nfs/dbraw/zinc/76/65/63/1072766563.db2.gz SMGVRXBDHZVFRS-MRXNPFEDSA-N 1 1 426.481 0.982 20 0 ICADMO COC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001555388631 1072768207 /nfs/dbraw/zinc/76/82/07/1072768207.db2.gz IRMOOLZYDJJISG-HTAPYJJXSA-N 1 1 447.536 0.881 20 0 ICADMO COC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001555388632 1072768707 /nfs/dbraw/zinc/76/87/07/1072768707.db2.gz IRMOOLZYDJJISG-JTSKRJEESA-N 1 1 447.536 0.881 20 0 ICADMO COC[C@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001555388633 1072768607 /nfs/dbraw/zinc/76/86/07/1072768607.db2.gz IRMOOLZYDJJISG-VGOFRKELSA-N 1 1 447.536 0.881 20 0 ICADMO COC[C@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001555388634 1072768593 /nfs/dbraw/zinc/76/85/93/1072768593.db2.gz IRMOOLZYDJJISG-VGSWGCGISA-N 1 1 447.536 0.881 20 0 ICADMO COC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCO1 ZINC001555389283 1072768617 /nfs/dbraw/zinc/76/86/17/1072768617.db2.gz FBDJLWPBPQMZTK-MOPGFXCFSA-N 1 1 433.557 0.767 20 0 ICADMO COC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCCC[N@H+]2CCC[C@H]2CO)CCO1 ZINC001555389284 1072768576 /nfs/dbraw/zinc/76/85/76/1072768576.db2.gz FBDJLWPBPQMZTK-OALUTQOASA-N 1 1 433.557 0.767 20 0 ICADMO COC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCCC[N@H+]2CCC[C@H]2CO)CCO1 ZINC001555389285 1072768720 /nfs/dbraw/zinc/76/87/20/1072768720.db2.gz FBDJLWPBPQMZTK-RBUKOAKNSA-N 1 1 433.557 0.767 20 0 ICADMO COC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCO1 ZINC001555389286 1072768751 /nfs/dbraw/zinc/76/87/51/1072768751.db2.gz FBDJLWPBPQMZTK-RTBURBONSA-N 1 1 433.557 0.767 20 0 ICADMO COC[C@@H]1CN(c2nnc(-c3cnccn3)n2CC2CCN(CC[NH+](C)C)CC2)CCO1 ZINC001555391117 1072768987 /nfs/dbraw/zinc/76/89/87/1072768987.db2.gz RVJSMIVNUAIFMP-IBGZPJMESA-N 1 1 444.584 0.860 20 0 ICADMO COC[C@H]1CN(c2nnc(-c3cnccn3)n2CC2CCN(CC[NH+](C)C)CC2)CCO1 ZINC001555391118 1072769062 /nfs/dbraw/zinc/76/90/62/1072769062.db2.gz RVJSMIVNUAIFMP-LJQANCHMSA-N 1 1 444.584 0.860 20 0 ICADMO COC[C@H]1CN(c2nnc(-c3cccn3C)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001555392691 1072769573 /nfs/dbraw/zinc/76/95/73/1072769573.db2.gz YZGKHOUGGDYGPD-GOSISDBHSA-N 1 1 431.541 0.299 20 0 ICADMO COC[C@@H]1CN(c2nnc(-c3cccn3C)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001555392692 1072769511 /nfs/dbraw/zinc/76/95/11/1072769511.db2.gz YZGKHOUGGDYGPD-SFHVURJKSA-N 1 1 431.541 0.299 20 0 ICADMO COC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001555394892 1072770452 /nfs/dbraw/zinc/77/04/52/1072770452.db2.gz XTHJARKAVKGYLZ-MHORFTMASA-N 1 1 436.557 0.580 20 0 ICADMO COC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001555394894 1072770356 /nfs/dbraw/zinc/77/03/56/1072770356.db2.gz XTHJARKAVKGYLZ-XWTMOSNGSA-N 1 1 436.557 0.580 20 0 ICADMO COC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001555395165 1072770507 /nfs/dbraw/zinc/77/05/07/1072770507.db2.gz ZXJOEXCXSALWSD-IKGGRYGDSA-N 1 1 436.557 0.580 20 0 ICADMO COC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001555395167 1072770409 /nfs/dbraw/zinc/77/04/09/1072770409.db2.gz ZXJOEXCXSALWSD-IXDOHACOSA-N 1 1 436.557 0.580 20 0 ICADMO COC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC001555395169 1072770424 /nfs/dbraw/zinc/77/04/24/1072770424.db2.gz ZXJOEXCXSALWSD-ULQDDVLXSA-N 1 1 436.557 0.580 20 0 ICADMO COC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC001555395171 1072770550 /nfs/dbraw/zinc/77/05/50/1072770550.db2.gz ZXJOEXCXSALWSD-YESZJQIVSA-N 1 1 436.557 0.580 20 0 ICADMO COC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCn2cc[nH+]c2C)CCO1 ZINC001555398839 1072771821 /nfs/dbraw/zinc/77/18/21/1072771821.db2.gz QNDJFOVSJGZVBF-DLBZAZTESA-N 1 1 438.554 0.627 20 0 ICADMO COC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCn2cc[nH+]c2C)CCO1 ZINC001555398840 1072771803 /nfs/dbraw/zinc/77/18/03/1072771803.db2.gz QNDJFOVSJGZVBF-IAGOWNOFSA-N 1 1 438.554 0.627 20 0 ICADMO COC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCn2cc[nH+]c2C)CCO1 ZINC001555398841 1072771762 /nfs/dbraw/zinc/77/17/62/1072771762.db2.gz QNDJFOVSJGZVBF-IRXDYDNUSA-N 1 1 438.554 0.627 20 0 ICADMO COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCn2cc[nH+]c2C)CCO1 ZINC001555398842 1072772207 /nfs/dbraw/zinc/77/22/07/1072772207.db2.gz QNDJFOVSJGZVBF-SJORKVTESA-N 1 1 438.554 0.627 20 0 ICADMO COCC[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001555446047 1072778744 /nfs/dbraw/zinc/77/87/44/1072778744.db2.gz CEKSKXQYYWERMW-HRAATJIYSA-N 1 1 429.525 0.855 20 0 ICADMO COCC[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001555446048 1072779245 /nfs/dbraw/zinc/77/92/45/1072779245.db2.gz CEKSKXQYYWERMW-IERDGZPVSA-N 1 1 429.525 0.855 20 0 ICADMO COCC[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001555446049 1072779121 /nfs/dbraw/zinc/77/91/21/1072779121.db2.gz CEKSKXQYYWERMW-IIBYNOLFSA-N 1 1 429.525 0.855 20 0 ICADMO COCC[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001555446050 1072779143 /nfs/dbraw/zinc/77/91/43/1072779143.db2.gz CEKSKXQYYWERMW-KKSFZXQISA-N 1 1 429.525 0.855 20 0 ICADMO COCC[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001555450567 1072779084 /nfs/dbraw/zinc/77/90/84/1072779084.db2.gz NTFLGNZSGXAIMR-GOSISDBHSA-N 1 1 430.557 0.706 20 0 ICADMO COCC[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001555450568 1072779774 /nfs/dbraw/zinc/77/97/74/1072779774.db2.gz NTFLGNZSGXAIMR-SFHVURJKSA-N 1 1 430.557 0.706 20 0 ICADMO COCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001555469218 1072781025 /nfs/dbraw/zinc/78/10/25/1072781025.db2.gz JDEHUSCGRHRMBN-NEWSRXKRSA-N 1 1 447.584 0.645 20 0 ICADMO COCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001555469219 1072781130 /nfs/dbraw/zinc/78/11/30/1072781130.db2.gz JDEHUSCGRHRMBN-NZSAHSFTSA-N 1 1 447.584 0.645 20 0 ICADMO COCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001555469220 1072781036 /nfs/dbraw/zinc/78/10/36/1072781036.db2.gz JDEHUSCGRHRMBN-WDSOQIARSA-N 1 1 447.584 0.645 20 0 ICADMO COCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001555469221 1072781579 /nfs/dbraw/zinc/78/15/79/1072781579.db2.gz JDEHUSCGRHRMBN-YTQUADARSA-N 1 1 447.584 0.645 20 0 ICADMO COCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001555469748 1072781483 /nfs/dbraw/zinc/78/14/83/1072781483.db2.gz SXNWSEFDCYRAQH-DLBZAZTESA-N 1 1 433.557 0.399 20 0 ICADMO COCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001555469749 1072781528 /nfs/dbraw/zinc/78/15/28/1072781528.db2.gz SXNWSEFDCYRAQH-IAGOWNOFSA-N 1 1 433.557 0.399 20 0 ICADMO COCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001555469750 1072781548 /nfs/dbraw/zinc/78/15/48/1072781548.db2.gz SXNWSEFDCYRAQH-IRXDYDNUSA-N 1 1 433.557 0.399 20 0 ICADMO COCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001555469751 1072781468 /nfs/dbraw/zinc/78/14/68/1072781468.db2.gz SXNWSEFDCYRAQH-SJORKVTESA-N 1 1 433.557 0.399 20 0 ICADMO COCCCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001555475379 1072781971 /nfs/dbraw/zinc/78/19/71/1072781971.db2.gz SGZKPUXTXVMDGP-CABCVRRESA-N 1 1 425.559 0.820 20 0 ICADMO COCCCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001555475380 1072782007 /nfs/dbraw/zinc/78/20/07/1072782007.db2.gz SGZKPUXTXVMDGP-GJZGRUSLSA-N 1 1 425.559 0.820 20 0 ICADMO COCCCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001555475381 1072782190 /nfs/dbraw/zinc/78/21/90/1072782190.db2.gz SGZKPUXTXVMDGP-HUUCEWRRSA-N 1 1 425.559 0.820 20 0 ICADMO COCCCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001555475382 1072782106 /nfs/dbraw/zinc/78/21/06/1072782106.db2.gz SGZKPUXTXVMDGP-LSDHHAIUSA-N 1 1 425.559 0.820 20 0 ICADMO COCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001555479904 1072782514 /nfs/dbraw/zinc/78/25/14/1072782514.db2.gz GSXMAXNJKQAZBT-INIZCTEOSA-N 1 1 429.587 0.500 20 0 ICADMO COCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001555479906 1072782648 /nfs/dbraw/zinc/78/26/48/1072782648.db2.gz GSXMAXNJKQAZBT-MRXNPFEDSA-N 1 1 429.587 0.500 20 0 ICADMO COCCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CC=CCC1 ZINC001555481794 1072783121 /nfs/dbraw/zinc/78/31/21/1072783121.db2.gz YJKAELDANKQYEF-KRWDZBQOSA-N 1 1 442.586 0.346 20 0 ICADMO COCCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CC=CCC1 ZINC001555481795 1072783260 /nfs/dbraw/zinc/78/32/60/1072783260.db2.gz YJKAELDANKQYEF-QGZVFWFLSA-N 1 1 442.586 0.346 20 0 ICADMO COCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001555482402 1072783302 /nfs/dbraw/zinc/78/33/02/1072783302.db2.gz BPGBVXUNYDVWAD-INIZCTEOSA-N 1 1 442.586 0.106 20 0 ICADMO COCCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001555482402 1072783288 /nfs/dbraw/zinc/78/32/88/1072783288.db2.gz BPGBVXUNYDVWAD-INIZCTEOSA-N 1 1 442.586 0.106 20 0 ICADMO COCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001555482403 1072783073 /nfs/dbraw/zinc/78/30/73/1072783073.db2.gz BPGBVXUNYDVWAD-MRXNPFEDSA-N 1 1 442.586 0.106 20 0 ICADMO 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COCC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CC2)C[C@H]1C ZINC001555591721 1072817655 /nfs/dbraw/zinc/81/76/55/1072817655.db2.gz QYRKORXUHMVLFU-NVXWUHKLSA-N 1 1 442.586 0.178 20 0 ICADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CC2)C[C@@H]1C ZINC001555591723 1072817571 /nfs/dbraw/zinc/81/75/71/1072817571.db2.gz QYRKORXUHMVLFU-RDJZCZTQSA-N 1 1 442.586 0.178 20 0 ICADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CC2)C[C@H]1C ZINC001555591725 1072817906 /nfs/dbraw/zinc/81/79/06/1072817906.db2.gz QYRKORXUHMVLFU-WBVHZDCISA-N 1 1 442.586 0.178 20 0 ICADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCOCC2(C)C)CC1 ZINC001555591734 1072817444 /nfs/dbraw/zinc/81/74/44/1072817444.db2.gz LVZWMAVZZKMXFG-KRWDZBQOSA-N 1 1 435.573 0.108 20 0 ICADMO COCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCOCC2(C)C)CC1 ZINC001555591735 1072817744 /nfs/dbraw/zinc/81/77/44/1072817744.db2.gz LVZWMAVZZKMXFG-QGZVFWFLSA-N 1 1 435.573 0.108 20 0 ICADMO 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COCC[N@H+]1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)NCc2ccco2)C[C@H]1C ZINC001555592093 1072818558 /nfs/dbraw/zinc/81/85/58/1072818558.db2.gz UNSRZDXPIBPFDS-IAGOWNOFSA-N 1 1 432.525 0.848 20 0 ICADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)NCc2ccco2)C[C@@H]1C ZINC001555592094 1072818670 /nfs/dbraw/zinc/81/86/70/1072818670.db2.gz UNSRZDXPIBPFDS-IRXDYDNUSA-N 1 1 432.525 0.848 20 0 ICADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)NCc2ccco2)C[C@H]1C ZINC001555592095 1072818355 /nfs/dbraw/zinc/81/83/55/1072818355.db2.gz UNSRZDXPIBPFDS-SJORKVTESA-N 1 1 432.525 0.848 20 0 ICADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)CC(F)(F)F)CC1 ZINC001555592810 1072819224 /nfs/dbraw/zinc/81/92/24/1072819224.db2.gz ODVXINYGDCZTHE-AWEZNQCLSA-N 1 1 433.479 0.492 20 0 ICADMO COCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)CC(F)(F)F)CC1 ZINC001555592813 1072819156 /nfs/dbraw/zinc/81/91/56/1072819156.db2.gz ODVXINYGDCZTHE-CQSZACIVSA-N 1 1 433.479 0.492 20 0 ICADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(N)=O)cc2)C[C@H]1C ZINC001555592884 1072819689 /nfs/dbraw/zinc/81/96/89/1072819689.db2.gz POBHRXHSJYWDTL-CRAIPNDOSA-N 1 1 441.536 0.533 20 0 ICADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(N)=O)cc2)C[C@@H]1C ZINC001555592885 1072819929 /nfs/dbraw/zinc/81/99/29/1072819929.db2.gz POBHRXHSJYWDTL-MAUKXSAKSA-N 1 1 441.536 0.533 20 0 ICADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(N)=O)cc2)C[C@H]1C ZINC001555592886 1072820017 /nfs/dbraw/zinc/82/00/17/1072820017.db2.gz POBHRXHSJYWDTL-QAPCUYQASA-N 1 1 441.536 0.533 20 0 ICADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(N)=O)cc2)C[C@@H]1C ZINC001555592887 1072819792 /nfs/dbraw/zinc/81/97/92/1072819792.db2.gz POBHRXHSJYWDTL-YJBOKZPZSA-N 1 1 441.536 0.533 20 0 ICADMO COCC[N@H+]1CCN(c2nnc(C3CCC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC001555592928 1072819655 /nfs/dbraw/zinc/81/96/55/1072819655.db2.gz QGUJHVPEIOXNNR-DLBZAZTESA-N 1 1 440.614 0.984 20 0 ICADMO 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COCCOCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001555717735 1072851201 /nfs/dbraw/zinc/85/12/01/1072851201.db2.gz QOBXILXETXDVAC-KSZLIROESA-N 1 1 441.598 0.906 20 0 ICADMO COCCOCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001555717736 1072851050 /nfs/dbraw/zinc/85/10/50/1072851050.db2.gz QOBXILXETXDVAC-KURKYZTESA-N 1 1 441.598 0.906 20 0 ICADMO COCCOCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001555717737 1072851280 /nfs/dbraw/zinc/85/12/80/1072851280.db2.gz QOBXILXETXDVAC-KZNAEPCWSA-N 1 1 441.598 0.906 20 0 ICADMO COCCOCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001555717738 1072851124 /nfs/dbraw/zinc/85/11/24/1072851124.db2.gz QOBXILXETXDVAC-RCCFBDPRSA-N 1 1 441.598 0.906 20 0 ICADMO COCCOCCn1c(N2CC[N@H+]3CCOC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001555725696 1072853477 /nfs/dbraw/zinc/85/34/77/1072853477.db2.gz ANAUKXDORXCEGJ-GHTZIAJQSA-N 1 1 439.557 0.503 20 0 ICADMO COCCOCCn1c(N2CC[N@@H+]3CCOC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001555725696 1072853461 /nfs/dbraw/zinc/85/34/61/1072853461.db2.gz ANAUKXDORXCEGJ-GHTZIAJQSA-N 1 1 439.557 0.503 20 0 ICADMO COCCOCCn1c(N2CC[N@H+]3CCOC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001555725697 1072853783 /nfs/dbraw/zinc/85/37/83/1072853783.db2.gz ANAUKXDORXCEGJ-NQIIRXRSSA-N 1 1 439.557 0.503 20 0 ICADMO COCCOCCn1c(N2CC[N@@H+]3CCOC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001555725697 1072853764 /nfs/dbraw/zinc/85/37/64/1072853764.db2.gz ANAUKXDORXCEGJ-NQIIRXRSSA-N 1 1 439.557 0.503 20 0 ICADMO COCCOCCn1c(N2CC[N@H+]3CCOC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001555725698 1072853394 /nfs/dbraw/zinc/85/33/94/1072853394.db2.gz ANAUKXDORXCEGJ-RXVVDRJESA-N 1 1 439.557 0.503 20 0 ICADMO COCCOCCn1c(N2CC[N@@H+]3CCOC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001555725698 1072853377 /nfs/dbraw/zinc/85/33/77/1072853377.db2.gz ANAUKXDORXCEGJ-RXVVDRJESA-N 1 1 439.557 0.503 20 0 ICADMO COCCOCCn1c(N2CC[N@H+]3CCOC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001555725699 1072853624 /nfs/dbraw/zinc/85/36/24/1072853624.db2.gz ANAUKXDORXCEGJ-WIYYLYMNSA-N 1 1 439.557 0.503 20 0 ICADMO COCCOCCn1c(N2CC[N@@H+]3CCOC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001555725699 1072853609 /nfs/dbraw/zinc/85/36/09/1072853609.db2.gz ANAUKXDORXCEGJ-WIYYLYMNSA-N 1 1 439.557 0.503 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCNC(=O)C(C)C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001555734929 1072855524 /nfs/dbraw/zinc/85/55/24/1072855524.db2.gz BRHRDQLGIBKUMV-FIKGOQFSSA-N 1 1 438.573 0.277 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCNC(=O)C(C)C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001555734930 1072855488 /nfs/dbraw/zinc/85/54/88/1072855488.db2.gz BRHRDQLGIBKUMV-XGHQBKJUSA-N 1 1 438.573 0.277 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C(N)=O)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001555740513 1072856766 /nfs/dbraw/zinc/85/67/66/1072856766.db2.gz VAMAEDLEQQPMPI-BDXSIMOUSA-N 1 1 436.557 0.282 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C(N)=O)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001555740514 1072856828 /nfs/dbraw/zinc/85/68/28/1072856828.db2.gz VAMAEDLEQQPMPI-MHORFTMASA-N 1 1 436.557 0.282 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C(N)=O)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001555740515 1072857209 /nfs/dbraw/zinc/85/72/09/1072857209.db2.gz VAMAEDLEQQPMPI-OWSLCNJRSA-N 1 1 436.557 0.282 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C(N)=O)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001555740516 1072857307 /nfs/dbraw/zinc/85/73/07/1072857307.db2.gz VAMAEDLEQQPMPI-XSLAGTTESA-N 1 1 436.557 0.282 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C(N)=O)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001555740583 1072857469 /nfs/dbraw/zinc/85/74/69/1072857469.db2.gz WRMBVTRBAFCOGL-FJIDUMEYSA-N 1 1 436.557 0.161 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C(N)=O)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001555740584 1072857496 /nfs/dbraw/zinc/85/74/96/1072857496.db2.gz WRMBVTRBAFCOGL-OWSLCNJRSA-N 1 1 436.557 0.161 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C(N)=O)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001555740585 1072857283 /nfs/dbraw/zinc/85/72/83/1072857283.db2.gz WRMBVTRBAFCOGL-XDNAFOTISA-N 1 1 436.557 0.161 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C(N)=O)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001555740586 1072857248 /nfs/dbraw/zinc/85/72/48/1072857248.db2.gz WRMBVTRBAFCOGL-XSLAGTTESA-N 1 1 436.557 0.161 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C(=O)OC)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001555745779 1072858864 /nfs/dbraw/zinc/85/88/64/1072858864.db2.gz RDPCOEHCSYRDOI-IAGYGMIVSA-N 1 1 437.541 0.458 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001555745780 1072859386 /nfs/dbraw/zinc/85/93/86/1072859386.db2.gz RDPCOEHCSYRDOI-JJDSTIRJSA-N 1 1 437.541 0.458 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001555745781 1072859228 /nfs/dbraw/zinc/85/92/28/1072859228.db2.gz RDPCOEHCSYRDOI-MXTNKPTQSA-N 1 1 437.541 0.458 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C(=O)OC)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001555745782 1072859137 /nfs/dbraw/zinc/85/91/37/1072859137.db2.gz RDPCOEHCSYRDOI-NWZZKEMCSA-N 1 1 437.541 0.458 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C)C(=O)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001555751826 1072860363 /nfs/dbraw/zinc/86/03/63/1072860363.db2.gz PGMVKROIXPSHBC-WMZOPIPTSA-N 1 1 436.557 0.391 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C)C(=O)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001555751826 1072860350 /nfs/dbraw/zinc/86/03/50/1072860350.db2.gz PGMVKROIXPSHBC-WMZOPIPTSA-N 1 1 436.557 0.391 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCNS(C)(=O)=O ZINC001555752535 1072860119 /nfs/dbraw/zinc/86/01/19/1072860119.db2.gz ANZAZTGHGCZLFO-BBWFWOEESA-N 1 1 442.586 0.226 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCNS(C)(=O)=O ZINC001555752536 1072860195 /nfs/dbraw/zinc/86/01/95/1072860195.db2.gz ANZAZTGHGCZLFO-ULQDDVLXSA-N 1 1 442.586 0.226 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCNC(=O)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001555752786 1072860830 /nfs/dbraw/zinc/86/08/30/1072860830.db2.gz FVIADEVUSOOLBK-ICSRJNTNSA-N 1 1 449.600 0.212 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCC(=O)NC(C)C ZINC001555753326 1072861314 /nfs/dbraw/zinc/86/13/14/1072861314.db2.gz NWMUJVIJFOCMMR-LNLFQRSKSA-N 1 1 436.557 0.438 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCC(=O)NC(C)C ZINC001555753326 1072861299 /nfs/dbraw/zinc/86/12/99/1072861299.db2.gz NWMUJVIJFOCMMR-LNLFQRSKSA-N 1 1 436.557 0.438 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCC(=O)NC(C)C ZINC001555753327 1072861220 /nfs/dbraw/zinc/86/12/20/1072861220.db2.gz NWMUJVIJFOCMMR-SCTDSRPQSA-N 1 1 436.557 0.438 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCC(=O)NC(C)C ZINC001555753327 1072861209 /nfs/dbraw/zinc/86/12/09/1072861209.db2.gz NWMUJVIJFOCMMR-SCTDSRPQSA-N 1 1 436.557 0.438 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS(=O)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001555756294 1072862405 /nfs/dbraw/zinc/86/24/05/1072862405.db2.gz GKRNZXXNRZPWJI-BZSNNMDCSA-N 1 1 441.598 0.418 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS(=O)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001555756295 1072862207 /nfs/dbraw/zinc/86/22/07/1072862207.db2.gz GKRNZXXNRZPWJI-KSZLIROESA-N 1 1 441.598 0.418 20 0 ICADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1CC[N@@H+](C)C(C)C ZINC001555757024 1072862859 /nfs/dbraw/zinc/86/28/59/1072862859.db2.gz KGTKMWOHHQCELL-FAJBIJEISA-N 1 1 439.557 0.703 20 0 ICADMO CON(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001555759431 1072863769 /nfs/dbraw/zinc/86/37/69/1072863769.db2.gz IJCSMEHEFBZARH-HNNXBMFYSA-N 1 1 438.554 0.766 20 0 ICADMO CON(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001555759432 1072863649 /nfs/dbraw/zinc/86/36/49/1072863649.db2.gz IJCSMEHEFBZARH-OAHLLOKOSA-N 1 1 438.554 0.766 20 0 ICADMO CON(C)c1nnc(-c2noc3c2COCC3)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001555764008 1072863687 /nfs/dbraw/zinc/86/36/87/1072863687.db2.gz AFLVNAOEIHEABO-HNNXBMFYSA-N 1 1 433.513 0.946 20 0 ICADMO CON(C)c1nnc(-c2noc3c2COCC3)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001555764009 1072863918 /nfs/dbraw/zinc/86/39/18/1072863918.db2.gz AFLVNAOEIHEABO-OAHLLOKOSA-N 1 1 433.513 0.946 20 0 ICADMO CON(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001555765920 1072864402 /nfs/dbraw/zinc/86/44/02/1072864402.db2.gz IRLOFBBXHFKNLA-CVEARBPZSA-N 1 1 428.559 0.626 20 0 ICADMO CON(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001555765922 1072864287 /nfs/dbraw/zinc/86/42/87/1072864287.db2.gz IRLOFBBXHFKNLA-HOTGVXAUSA-N 1 1 428.559 0.626 20 0 ICADMO CON(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001555765925 1072864324 /nfs/dbraw/zinc/86/43/24/1072864324.db2.gz IRLOFBBXHFKNLA-HZPDHXFCSA-N 1 1 428.559 0.626 20 0 ICADMO CON(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001555765926 1072864191 /nfs/dbraw/zinc/86/41/91/1072864191.db2.gz IRLOFBBXHFKNLA-JKSUJKDBSA-N 1 1 428.559 0.626 20 0 ICADMO CO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001555772866 1072864662 /nfs/dbraw/zinc/86/46/62/1072864662.db2.gz CIWVKYBTCZZNGG-DLBZAZTESA-N 1 1 440.614 0.431 20 0 ICADMO CO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001555772867 1072864833 /nfs/dbraw/zinc/86/48/33/1072864833.db2.gz CIWVKYBTCZZNGG-IAGOWNOFSA-N 1 1 440.614 0.431 20 0 ICADMO CO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001555778532 1072866187 /nfs/dbraw/zinc/86/61/87/1072866187.db2.gz ACDCLIUVAGKWNK-CABCVRRESA-N 1 1 430.575 0.224 20 0 ICADMO CO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001555778532 1072866176 /nfs/dbraw/zinc/86/61/76/1072866176.db2.gz ACDCLIUVAGKWNK-CABCVRRESA-N 1 1 430.575 0.224 20 0 ICADMO CO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001555778533 1072866446 /nfs/dbraw/zinc/86/64/46/1072866446.db2.gz ACDCLIUVAGKWNK-GJZGRUSLSA-N 1 1 430.575 0.224 20 0 ICADMO CO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001555778533 1072866435 /nfs/dbraw/zinc/86/64/35/1072866435.db2.gz ACDCLIUVAGKWNK-GJZGRUSLSA-N 1 1 430.575 0.224 20 0 ICADMO CO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001555779421 1072866810 /nfs/dbraw/zinc/86/68/10/1072866810.db2.gz VKRYXPOLJJUTAV-CABCVRRESA-N 1 1 430.575 0.224 20 0 ICADMO CO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001555779422 1072866874 /nfs/dbraw/zinc/86/68/74/1072866874.db2.gz VKRYXPOLJJUTAV-GJZGRUSLSA-N 1 1 430.575 0.224 20 0 ICADMO CO[C@@H]1CN(c2nnc(-c3ccccc3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1OC ZINC001555787950 1072867880 /nfs/dbraw/zinc/86/78/80/1072867880.db2.gz TURTXQWVXJJCMF-BGYRXZFFSA-N 1 1 428.537 0.959 20 0 ICADMO CO[C@@H]1CN(c2nnc(-c3cnccn3)n2CCCC[N@H+]2CCC[C@@H]2CO)C[C@@H]1OC ZINC001555788489 1072867632 /nfs/dbraw/zinc/86/76/32/1072867632.db2.gz CFTQKZHVGQZASG-QRQLOZEOSA-N 1 1 431.541 0.822 20 0 ICADMO CO[C@@H]1CN(c2nnc(-c3cnccn3)n2CCCC[N@H+]2CCC[C@H]2CO)C[C@@H]1OC ZINC001555788490 1072867687 /nfs/dbraw/zinc/86/76/87/1072867687.db2.gz CFTQKZHVGQZASG-YTQUADARSA-N 1 1 431.541 0.822 20 0 ICADMO CO[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[N@H+]2CCCO)C[C@@H]1OC ZINC001555791455 1072869218 /nfs/dbraw/zinc/86/92/18/1072869218.db2.gz QOZZXQJFYXHGQT-KURKYZTESA-N 1 1 436.557 0.097 20 0 ICADMO CO[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[N@H+]2CCCO)C[C@@H]1OC ZINC001555791456 1072869281 /nfs/dbraw/zinc/86/92/81/1072869281.db2.gz QOZZXQJFYXHGQT-OKZBNKHCSA-N 1 1 436.557 0.097 20 0 ICADMO CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001555797436 1072871403 /nfs/dbraw/zinc/87/14/03/1072871403.db2.gz UWPRQRMBKYWJHV-MSOLQXFVSA-N 1 1 434.566 0.810 20 0 ICADMO 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C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCC[NH+]2CCOCC2)CCN1S(C)(=O)=O ZINC001555955662 1072904848 /nfs/dbraw/zinc/90/48/48/1072904848.db2.gz WZMDVGNYSWKMSA-INIZCTEOSA-N 1 1 437.570 0.466 20 0 ICADMO C[C@H]1CN(c2nnc(C3CC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCN1S(C)(=O)=O ZINC001555956638 1072904807 /nfs/dbraw/zinc/90/48/07/1072904807.db2.gz OZFWRUZOSCHCTL-INIZCTEOSA-N 1 1 439.630 0.652 20 0 ICADMO C[C@H]1CN(c2nnc(C3CC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCN1S(C)(=O)=O ZINC001555956638 1072904806 /nfs/dbraw/zinc/90/48/06/1072904806.db2.gz OZFWRUZOSCHCTL-INIZCTEOSA-N 1 1 439.630 0.652 20 0 ICADMO C[C@H]1CN(c2nnc(C3CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCN1S(C)(=O)=O ZINC001555956638 1072904804 /nfs/dbraw/zinc/90/48/04/1072904804.db2.gz OZFWRUZOSCHCTL-INIZCTEOSA-N 1 1 439.630 0.652 20 0 ICADMO C[C@H]1CN(c2nnc(CC3CC3)n2CC(C)(C)[NH+]2CCOCC2)CCN1S(C)(=O)=O ZINC001555956926 1072904863 /nfs/dbraw/zinc/90/48/63/1072904863.db2.gz CKWUBWRZEGRVFE-INIZCTEOSA-N 1 1 440.614 0.812 20 0 ICADMO C[C@H]1CN(c2nnc(C3CCC3)n2CCC[NH+]2CCOCC2)CCN1S(C)(=O)=O ZINC001555957298 1072905277 /nfs/dbraw/zinc/90/52/77/1072905277.db2.gz YURDSIIZZPASRB-INIZCTEOSA-N 1 1 426.587 0.738 20 0 ICADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@]2(C)CN(C)C2=O)C[C@H](C)O1 ZINC001555959547 1072906142 /nfs/dbraw/zinc/90/61/42/1072906142.db2.gz ADGOMKVRWFATGJ-HYFFOGBASA-N 1 1 447.584 0.538 20 0 ICADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@]2(C)CN(C)C2=O)C[C@H](C)O1 ZINC001555959547 1072906140 /nfs/dbraw/zinc/90/61/40/1072906140.db2.gz ADGOMKVRWFATGJ-HYFFOGBASA-N 1 1 447.584 0.538 20 0 ICADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@]2(C)CN(C)C2=O)C[C@H](C)O1 ZINC001555959548 1072906057 /nfs/dbraw/zinc/90/60/57/1072906057.db2.gz ADGOMKVRWFATGJ-JKSBSHDWSA-N 1 1 447.584 0.538 20 0 ICADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@]2(C)CN(C)C2=O)C[C@H](C)O1 ZINC001555959548 1072906050 /nfs/dbraw/zinc/90/60/50/1072906050.db2.gz ADGOMKVRWFATGJ-JKSBSHDWSA-N 1 1 447.584 0.538 20 0 ICADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2cnccn2)n1CCOCCCO ZINC001555959733 1072906122 /nfs/dbraw/zinc/90/61/22/1072906122.db2.gz SMVOIBNPDARWIB-KRWDZBQOSA-N 1 1 431.541 0.824 20 0 ICADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)O ZINC001555959746 1072906088 /nfs/dbraw/zinc/90/60/88/1072906088.db2.gz TVWNGDRBYMWQFC-HOTGVXAUSA-N 1 1 441.598 0.641 20 0 ICADMO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)O ZINC001555959746 1072906086 /nfs/dbraw/zinc/90/60/86/1072906086.db2.gz TVWNGDRBYMWQFC-HOTGVXAUSA-N 1 1 441.598 0.641 20 0 ICADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)O ZINC001555959747 1072906163 /nfs/dbraw/zinc/90/61/63/1072906163.db2.gz TVWNGDRBYMWQFC-JKSUJKDBSA-N 1 1 441.598 0.641 20 0 ICADMO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)O ZINC001555959747 1072906159 /nfs/dbraw/zinc/90/61/59/1072906159.db2.gz TVWNGDRBYMWQFC-JKSUJKDBSA-N 1 1 441.598 0.641 20 0 ICADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C(=O)N3CCCC3)n2CCn2cncn2)C[C@H](C)O1 ZINC001555959922 1072906133 /nfs/dbraw/zinc/90/61/33/1072906133.db2.gz HYZREBKWKVZRCV-CALCHBBNSA-N 1 1 431.545 0.351 20 0 ICADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C(=O)N3CCCC3)n2CCn2cncn2)C[C@H](C)O1 ZINC001555959922 1072906128 /nfs/dbraw/zinc/90/61/28/1072906128.db2.gz HYZREBKWKVZRCV-CALCHBBNSA-N 1 1 431.545 0.351 20 0 ICADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc([C@@H]2CCOC2)n1CCCS(C)(=O)=O ZINC001555959981 1072906075 /nfs/dbraw/zinc/90/60/75/1072906075.db2.gz ZGVOAIPWDUSIJN-DLBZAZTESA-N 1 1 441.598 0.906 20 0 ICADMO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc([C@@H]2CCOC2)n1CCCS(C)(=O)=O ZINC001555959981 1072906072 /nfs/dbraw/zinc/90/60/72/1072906072.db2.gz ZGVOAIPWDUSIJN-DLBZAZTESA-N 1 1 441.598 0.906 20 0 ICADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc([C@H]2CCOC2)n1CCCS(C)(=O)=O ZINC001555959982 1072906569 /nfs/dbraw/zinc/90/65/69/1072906569.db2.gz ZGVOAIPWDUSIJN-IRXDYDNUSA-N 1 1 441.598 0.906 20 0 ICADMO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc([C@H]2CCOC2)n1CCCS(C)(=O)=O ZINC001555959982 1072906566 /nfs/dbraw/zinc/90/65/66/1072906566.db2.gz ZGVOAIPWDUSIJN-IRXDYDNUSA-N 1 1 441.598 0.906 20 0 ICADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC001555960142 1072906680 /nfs/dbraw/zinc/90/66/80/1072906680.db2.gz OKDRILIOQDKLCS-JZXOWHBKSA-N 1 1 447.584 0.643 20 0 ICADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC001555960143 1072906588 /nfs/dbraw/zinc/90/65/88/1072906588.db2.gz OKDRILIOQDKLCS-SOLBZPMBSA-N 1 1 447.584 0.643 20 0 ICADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)C(C)(C)C)C[C@H](C)O1 ZINC001555960563 1072906495 /nfs/dbraw/zinc/90/64/95/1072906495.db2.gz BSLMFBSRJNVLIG-BBWFWOEESA-N 1 1 449.600 0.937 20 0 ICADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)C(C)(C)C)C[C@H](C)O1 ZINC001555960563 1072906488 /nfs/dbraw/zinc/90/64/88/1072906488.db2.gz BSLMFBSRJNVLIG-BBWFWOEESA-N 1 1 449.600 0.937 20 0 ICADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)C(C)(C)C)C[C@H](C)O1 ZINC001555960564 1072906540 /nfs/dbraw/zinc/90/65/40/1072906540.db2.gz BSLMFBSRJNVLIG-IXDOHACOSA-N 1 1 449.600 0.937 20 0 ICADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)C(C)(C)C)C[C@H](C)O1 ZINC001555960564 1072906535 /nfs/dbraw/zinc/90/65/35/1072906535.db2.gz BSLMFBSRJNVLIG-IXDOHACOSA-N 1 1 449.600 0.937 20 0 ICADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cnccn3)n2C[C@]2(C)CN(C)C2=O)C[C@H](C)O1 ZINC001555960606 1072906699 /nfs/dbraw/zinc/90/66/99/1072906699.db2.gz CSBJLTYGASQOKG-MRUHUIDDSA-N 1 1 428.541 0.759 20 0 ICADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cnccn3)n2C[C@]2(C)CN(C)C2=O)C[C@H](C)O1 ZINC001555960606 1072906697 /nfs/dbraw/zinc/90/66/97/1072906697.db2.gz CSBJLTYGASQOKG-MRUHUIDDSA-N 1 1 428.541 0.759 20 0 ICADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cnccn3)n2C[C@@]2(C)CN(C)C2=O)C[C@H](C)O1 ZINC001555960608 1072906611 /nfs/dbraw/zinc/90/66/11/1072906611.db2.gz CSBJLTYGASQOKG-VWKPWSFCSA-N 1 1 428.541 0.759 20 0 ICADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cnccn3)n2C[C@@]2(C)CN(C)C2=O)C[C@H](C)O1 ZINC001555960608 1072906606 /nfs/dbraw/zinc/90/66/06/1072906606.db2.gz CSBJLTYGASQOKG-VWKPWSFCSA-N 1 1 428.541 0.759 20 0 ICADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3cccnc3)n2C[C@]2(O)CCOC2)C[C@H](C)O1 ZINC001555960695 1072906690 /nfs/dbraw/zinc/90/66/90/1072906690.db2.gz IYJCWRYFAHUNLE-KGVIQGDOSA-N 1 1 430.553 0.961 20 0 ICADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3cccnc3)n2C[C@]2(O)CCOC2)C[C@H](C)O1 ZINC001555960695 1072906689 /nfs/dbraw/zinc/90/66/89/1072906689.db2.gz IYJCWRYFAHUNLE-KGVIQGDOSA-N 1 1 430.553 0.961 20 0 ICADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCOC2)C[C@H](C)O1 ZINC001555960696 1072906633 /nfs/dbraw/zinc/90/66/33/1072906633.db2.gz IYJCWRYFAHUNLE-SVMVAKDDSA-N 1 1 430.553 0.961 20 0 ICADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCOC2)C[C@H](C)O1 ZINC001555960696 1072906632 /nfs/dbraw/zinc/90/66/32/1072906632.db2.gz IYJCWRYFAHUNLE-SVMVAKDDSA-N 1 1 430.553 0.961 20 0 ICADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc[nH]3)n2CC(=O)N2CCOCC2)C[C@H](C)O1 ZINC001555960835 1072906657 /nfs/dbraw/zinc/90/66/57/1072906657.db2.gz FZXDAGWPXKKDOM-CALCHBBNSA-N 1 1 431.541 0.677 20 0 ICADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc[nH]3)n2CC(=O)N2CCOCC2)C[C@H](C)O1 ZINC001555960835 1072906655 /nfs/dbraw/zinc/90/66/55/1072906655.db2.gz FZXDAGWPXKKDOM-CALCHBBNSA-N 1 1 431.541 0.677 20 0 ICADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CN3CCCC3=O)n2CCCn2ccnn2)C[C@H](C)O1 ZINC001555960950 1072906526 /nfs/dbraw/zinc/90/65/26/1072906526.db2.gz PAJWSAWYMRQKKD-HDICACEKSA-N 1 1 445.572 0.628 20 0 ICADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CN3CCCC3=O)n2CCCn2ccnn2)C[C@H](C)O1 ZINC001555960950 1072906521 /nfs/dbraw/zinc/90/65/21/1072906521.db2.gz PAJWSAWYMRQKKD-HDICACEKSA-N 1 1 445.572 0.628 20 0 ICADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CC[C@H](CO)O2)C[C@H](C)O1 ZINC001555960977 1072906648 /nfs/dbraw/zinc/90/66/48/1072906648.db2.gz HQQAGNGYLOXFRZ-IGKNDFSCSA-N 1 1 436.557 0.315 20 0 ICADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CC[C@H](CO)O2)C[C@H](C)O1 ZINC001555960977 1072906643 /nfs/dbraw/zinc/90/66/43/1072906643.db2.gz HQQAGNGYLOXFRZ-IGKNDFSCSA-N 1 1 436.557 0.315 20 0 ICADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC[C@H](CO)O2)C[C@H](C)O1 ZINC001555960979 1072906666 /nfs/dbraw/zinc/90/66/66/1072906666.db2.gz HQQAGNGYLOXFRZ-RZFLPCETSA-N 1 1 436.557 0.315 20 0 ICADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC[C@H](CO)O2)C[C@H](C)O1 ZINC001555960979 1072906665 /nfs/dbraw/zinc/90/66/65/1072906665.db2.gz HQQAGNGYLOXFRZ-RZFLPCETSA-N 1 1 436.557 0.315 20 0 ICADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cnn(C)c3)n2CC(=O)N2CCOCC2)C[C@H](C)O1 ZINC001555961072 1072906559 /nfs/dbraw/zinc/90/65/59/1072906559.db2.gz JDRQURKQDKFDSA-CALCHBBNSA-N 1 1 446.556 0.083 20 0 ICADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cnn(C)c3)n2CC(=O)N2CCOCC2)C[C@H](C)O1 ZINC001555961072 1072906551 /nfs/dbraw/zinc/90/65/51/1072906551.db2.gz 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C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(C)CN(C)C2=O)C[C@H](C)O1 ZINC001555961283 1072907172 /nfs/dbraw/zinc/90/71/72/1072907172.db2.gz NFBWQBCTRGFJGF-YJXLLHPSSA-N 1 1 433.557 0.253 20 0 ICADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCCO3)n2CCNS(C)(=O)=O)C[C@H](C)O1 ZINC001555961513 1072907032 /nfs/dbraw/zinc/90/70/32/1072907032.db2.gz YWONFGRJRGCVQF-OWCLPIDISA-N 1 1 430.575 0.224 20 0 ICADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCCO3)n2CCNS(C)(=O)=O)C[C@H](C)O1 ZINC001555961513 1072907031 /nfs/dbraw/zinc/90/70/31/1072907031.db2.gz YWONFGRJRGCVQF-OWCLPIDISA-N 1 1 430.575 0.224 20 0 ICADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cnccn3)n2CCNC(=O)C2CC2)C[C@H](C)O1 ZINC001555961738 1072907084 /nfs/dbraw/zinc/90/70/84/1072907084.db2.gz WJJFKQZOHGZSPI-IYBDPMFKSA-N 1 1 428.541 0.807 20 0 ICADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cnccn3)n2CCNC(=O)C2CC2)C[C@H](C)O1 ZINC001555961738 1072907075 /nfs/dbraw/zinc/90/70/75/1072907075.db2.gz WJJFKQZOHGZSPI-IYBDPMFKSA-N 1 1 428.541 0.807 20 0 ICADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3noc4c3COCC4)n2CC(=O)N(C)C)C[C@H](C)O1 ZINC001555961953 1072907057 /nfs/dbraw/zinc/90/70/57/1072907057.db2.gz ZDCYPUSPBQWHCJ-GASCZTMLSA-N 1 1 447.540 0.639 20 0 ICADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3noc4c3COCC4)n2CC(=O)N(C)C)C[C@H](C)O1 ZINC001555961953 1072907055 /nfs/dbraw/zinc/90/70/55/1072907055.db2.gz ZDCYPUSPBQWHCJ-GASCZTMLSA-N 1 1 447.540 0.639 20 0 ICADMO NC(=O)[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001556000467 1072911146 /nfs/dbraw/zinc/91/11/46/1072911146.db2.gz YNTKGJUOMFYRIG-MOPGFXCFSA-N 1 1 427.553 0.812 20 0 ICADMO NC(=O)[C@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001556000468 1072911126 /nfs/dbraw/zinc/91/11/26/1072911126.db2.gz YNTKGJUOMFYRIG-OALUTQOASA-N 1 1 427.553 0.812 20 0 ICADMO NC(=O)[C@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001556000469 1072911172 /nfs/dbraw/zinc/91/11/72/1072911172.db2.gz YNTKGJUOMFYRIG-RBUKOAKNSA-N 1 1 427.553 0.812 20 0 ICADMO 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NC(=O)CCC1CCN(c2nnc(CN3CCCC3=O)n2CCC[NH+]2CCOCC2)CC1 ZINC001556007760 1072914660 /nfs/dbraw/zinc/91/46/60/1072914660.db2.gz GDOAQWDKFLLJCB-UHFFFAOYSA-N 1 1 447.584 0.605 20 0 ICADMO NC(=O)COC1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001556007895 1072914608 /nfs/dbraw/zinc/91/46/08/1072914608.db2.gz MERPBFTVYKWURE-INIZCTEOSA-N 1 1 444.540 0.053 20 0 ICADMO NC(=O)COC1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001556007896 1072914684 /nfs/dbraw/zinc/91/46/84/1072914684.db2.gz MERPBFTVYKWURE-MRXNPFEDSA-N 1 1 444.540 0.053 20 0 ICADMO NC(=O)COC1CCN(c2nnc(-c3ccccn3)n2CCC[NH+]2CCOCC2)CC1 ZINC001556008219 1072914651 /nfs/dbraw/zinc/91/46/51/1072914651.db2.gz XLBZPFVXJLHGJO-UHFFFAOYSA-N 1 1 429.525 0.533 20 0 ICADMO NC(=O)COC1CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001556008655 1072915100 /nfs/dbraw/zinc/91/51/00/1072915100.db2.gz PVYGQRJQJLHKIO-UHFFFAOYSA-N 1 1 425.537 0.997 20 0 ICADMO NC(=O)COC1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001556008813 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Cc1nc(C(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC001557318279 1073029446 /nfs/dbraw/zinc/02/94/46/1073029446.db2.gz WIUDWPAJSWJOAJ-MNOVXSKESA-N 1 1 428.419 0.942 20 0 ICADMO Cc1nc(C(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC001557318282 1073029722 /nfs/dbraw/zinc/02/97/22/1073029722.db2.gz WIUDWPAJSWJOAJ-QWRGUYRKSA-N 1 1 428.419 0.942 20 0 ICADMO Cc1nc(C(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC001557318285 1073029564 /nfs/dbraw/zinc/02/95/64/1073029564.db2.gz WIUDWPAJSWJOAJ-WDEREUQCSA-N 1 1 428.419 0.942 20 0 ICADMO COCC[NH+](CCOC)C1CN(C(=O)[C@](C)(O)CN2c3ccccc3C(C)(C)C2=O)C1 ZINC001557318548 1073029511 /nfs/dbraw/zinc/02/95/11/1073029511.db2.gz KRHNCPYLCVDTSB-HSZRJFAPSA-N 1 1 433.549 0.867 20 0 ICADMO COCC[NH+](CCOC)C1CN(C(=O)[C@@](C)(O)CN2c3ccccc3C(C)(C)C2=O)C1 ZINC001557318550 1073029363 /nfs/dbraw/zinc/02/93/63/1073029363.db2.gz KRHNCPYLCVDTSB-QHCPKHFHSA-N 1 1 433.549 0.867 20 0 ICADMO COCC[NH+](CCOC)C1CN(C(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@@]32C)C1 ZINC001557318572 1073029422 /nfs/dbraw/zinc/02/94/22/1073029422.db2.gz LDXRZAUOOPHHML-HSZRJFAPSA-N 1 1 444.532 0.791 20 0 ICADMO COCC[NH+](CCOC)C1CN(C(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@]32C)C1 ZINC001557318573 1073029584 /nfs/dbraw/zinc/02/95/84/1073029584.db2.gz LDXRZAUOOPHHML-QHCPKHFHSA-N 1 1 444.532 0.791 20 0 ICADMO CC(=O)NCC(=O)N1CCc2cc(C(=O)N[C@H]3C[C@H]([NH+]4CCOCC4)C3(C)C)ccc21 ZINC001557318864 1073030084 /nfs/dbraw/zinc/03/00/84/1073030084.db2.gz YEYUCHQOGNVGFA-PMACEKPBSA-N 1 1 428.533 0.941 20 0 ICADMO CC(=O)NCC(=O)N1CCc2cc(C(=O)N[C@@H]3C[C@H]([NH+]4CCOCC4)C3(C)C)ccc21 ZINC001557318867 1073029983 /nfs/dbraw/zinc/02/99/83/1073029983.db2.gz YEYUCHQOGNVGFA-UXHICEINSA-N 1 1 428.533 0.941 20 0 ICADMO CC(=O)NCC(=O)N1CCc2cc(C(=O)N[C@H]3C[C@@H]([NH+]4CCOCC4)C3(C)C)ccc21 ZINC001557318869 1073030102 /nfs/dbraw/zinc/03/01/02/1073030102.db2.gz YEYUCHQOGNVGFA-VQTJNVASSA-N 1 1 428.533 0.941 20 0 ICADMO CC(=O)NCC(=O)N1CCc2cc(C(=O)N[C@@H]3C[C@@H]([NH+]4CCOCC4)C3(C)C)ccc21 ZINC001557318870 1073030126 /nfs/dbraw/zinc/03/01/26/1073030126.db2.gz YEYUCHQOGNVGFA-WOJBJXKFSA-N 1 1 428.533 0.941 20 0 ICADMO COCC[NH+](CCOC)C1CN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 ZINC001557318874 1073029382 /nfs/dbraw/zinc/02/93/82/1073029382.db2.gz NJTVLEYDBNBKMG-INIZCTEOSA-N 1 1 433.505 0.616 20 0 ICADMO COCC[NH+](CCOC)C1CN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 ZINC001557318878 1073030184 /nfs/dbraw/zinc/03/01/84/1073030184.db2.gz NJTVLEYDBNBKMG-MRXNPFEDSA-N 1 1 433.505 0.616 20 0 ICADMO COCC[NH+](CCOC)C1CN(C(=O)[C@@]2(COC)CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001557320409 1073030225 /nfs/dbraw/zinc/03/02/25/1073030225.db2.gz BUNHZAOZNGDNQV-NRFANRHFSA-N 1 1 445.557 0.445 20 0 ICADMO COCC[NH+](CCOC)C1CN(C(=O)[C@]2(COC)CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001557320410 1073030163 /nfs/dbraw/zinc/03/01/63/1073030163.db2.gz BUNHZAOZNGDNQV-OAQYLSRUSA-N 1 1 445.557 0.445 20 0 ICADMO 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0.357 20 0 ICADMO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC001557352191 1073033390 /nfs/dbraw/zinc/03/33/90/1073033390.db2.gz NRWNDAHPNVIDFB-MOPGFXCFSA-N 1 1 446.529 0.357 20 0 ICADMO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001557352192 1073033472 /nfs/dbraw/zinc/03/34/72/1073033472.db2.gz NRWNDAHPNVIDFB-OALUTQOASA-N 1 1 446.529 0.357 20 0 ICADMO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001557352192 1073033464 /nfs/dbraw/zinc/03/34/64/1073033464.db2.gz NRWNDAHPNVIDFB-OALUTQOASA-N 1 1 446.529 0.357 20 0 ICADMO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001557352193 1073033281 /nfs/dbraw/zinc/03/32/81/1073033281.db2.gz NRWNDAHPNVIDFB-RBUKOAKNSA-N 1 1 446.529 0.357 20 0 ICADMO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001557352193 1073033270 /nfs/dbraw/zinc/03/32/70/1073033270.db2.gz NRWNDAHPNVIDFB-RBUKOAKNSA-N 1 1 446.529 0.357 20 0 ICADMO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001557352194 1073033323 /nfs/dbraw/zinc/03/33/23/1073033323.db2.gz NRWNDAHPNVIDFB-RTBURBONSA-N 1 1 446.529 0.357 20 0 ICADMO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC001557352194 1073033312 /nfs/dbraw/zinc/03/33/12/1073033312.db2.gz NRWNDAHPNVIDFB-RTBURBONSA-N 1 1 446.529 0.357 20 0 ICADMO CN1CC[NH+](CCCOc2ccc(NC(=O)[C@H]3CCCN(S(N)(=O)=O)C3)cc2)CC1 ZINC001557355284 1073033228 /nfs/dbraw/zinc/03/32/28/1073033228.db2.gz DQCMEBVPWQUWNC-KRWDZBQOSA-N 1 1 439.582 0.557 20 0 ICADMO CN1CC[NH+](CCCOc2ccc(NC(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)cc2)CC1 ZINC001557355288 1073033413 /nfs/dbraw/zinc/03/34/13/1073033413.db2.gz DQCMEBVPWQUWNC-QGZVFWFLSA-N 1 1 439.582 0.557 20 0 ICADMO C[N@H+]1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)[C@@H](Cc2ccccc2)C1 ZINC001557359175 1073033737 /nfs/dbraw/zinc/03/37/37/1073033737.db2.gz ZFMLCMKWYYAGGV-INIZCTEOSA-N 1 1 444.513 0.627 20 0 ICADMO C[N@@H+]1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)[C@@H](Cc2ccccc2)C1 ZINC001557359175 1073033724 /nfs/dbraw/zinc/03/37/24/1073033724.db2.gz ZFMLCMKWYYAGGV-INIZCTEOSA-N 1 1 444.513 0.627 20 0 ICADMO C[N@H+]1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)[C@H](Cc2ccccc2)C1 ZINC001557359176 1073033816 /nfs/dbraw/zinc/03/38/16/1073033816.db2.gz ZFMLCMKWYYAGGV-MRXNPFEDSA-N 1 1 444.513 0.627 20 0 ICADMO C[N@@H+]1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)[C@H](Cc2ccccc2)C1 ZINC001557359176 1073033809 /nfs/dbraw/zinc/03/38/09/1073033809.db2.gz ZFMLCMKWYYAGGV-MRXNPFEDSA-N 1 1 444.513 0.627 20 0 ICADMO O=C(c1cc(S(=O)(=O)NC2CC2)ccc1Br)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001557359671 1073033931 /nfs/dbraw/zinc/03/39/31/1073033931.db2.gz JZXDCCUTGNCYJB-CYBMUJFWSA-N 1 1 444.351 0.781 20 0 ICADMO O=C(c1cc(S(=O)(=O)NC2CC2)ccc1Br)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001557359671 1073033925 /nfs/dbraw/zinc/03/39/25/1073033925.db2.gz JZXDCCUTGNCYJB-CYBMUJFWSA-N 1 1 444.351 0.781 20 0 ICADMO O=C(Cn1ccc2ccc(Br)cc21)NCC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001557360410 1073033858 /nfs/dbraw/zinc/03/38/58/1073033858.db2.gz VKDJGZHWEVLKBQ-MRXNPFEDSA-N 1 1 435.322 0.797 20 0 ICADMO O=C(Cn1ccc2ccc(Br)cc21)NCC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001557360410 1073033847 /nfs/dbraw/zinc/03/38/47/1073033847.db2.gz VKDJGZHWEVLKBQ-MRXNPFEDSA-N 1 1 435.322 0.797 20 0 ICADMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC001557394386 1073037587 /nfs/dbraw/zinc/03/75/87/1073037587.db2.gz HZUOALPNLYZFTR-MOPGFXCFSA-N 1 1 446.573 0.927 20 0 ICADMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC001557394387 1073037468 /nfs/dbraw/zinc/03/74/68/1073037468.db2.gz HZUOALPNLYZFTR-OALUTQOASA-N 1 1 446.573 0.927 20 0 ICADMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC001557394389 1073037457 /nfs/dbraw/zinc/03/74/57/1073037457.db2.gz HZUOALPNLYZFTR-RBUKOAKNSA-N 1 1 446.573 0.927 20 0 ICADMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC001557394392 1073037560 /nfs/dbraw/zinc/03/75/60/1073037560.db2.gz HZUOALPNLYZFTR-RTBURBONSA-N 1 1 446.573 0.927 20 0 ICADMO Cn1cc([C@@H]2[C@@H](C(=O)N3CC[C@H]([N@@H+](C)CCc4ccccc4)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001557397161 1073037912 /nfs/dbraw/zinc/03/79/12/1073037912.db2.gz ZYGPARGSXGPAIM-DOIPELPJSA-N 1 1 425.533 0.686 20 0 ICADMO Cn1cc([C@@H]2[C@@H](C(=O)N3CC[C@@H]([N@@H+](C)CCc4ccccc4)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001557397162 1073037845 /nfs/dbraw/zinc/03/78/45/1073037845.db2.gz ZYGPARGSXGPAIM-XRXFAXGQSA-N 1 1 425.533 0.686 20 0 ICADMO O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC001557428416 1073040609 /nfs/dbraw/zinc/04/06/09/1073040609.db2.gz FTKUBEZNYOAYSE-FCHUYYIVSA-N 1 1 444.576 0.583 20 0 ICADMO O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001557428419 1073040682 /nfs/dbraw/zinc/04/06/82/1073040682.db2.gz FTKUBEZNYOAYSE-FGZHOGPDSA-N 1 1 444.576 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ICADMO NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001557429678 1073041230 /nfs/dbraw/zinc/04/12/30/1073041230.db2.gz PTTHSVKVHKBWSB-YLJYHZDGSA-N 1 1 442.491 0.683 20 0 ICADMO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC001557434570 1073042563 /nfs/dbraw/zinc/04/25/63/1073042563.db2.gz VNJOUTLKYVILDY-UHFFFAOYSA-N 1 1 426.539 0.269 20 0 ICADMO COc1ccc(S(=O)(=O)NCCC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)cc1OC ZINC001557440448 1073043360 /nfs/dbraw/zinc/04/33/60/1073043360.db2.gz CNSRTPMKFKXPGY-CABCVRRESA-N 1 1 429.539 0.598 20 0 ICADMO COc1ccc(S(=O)(=O)NCCC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cc1OC ZINC001557440448 1073043348 /nfs/dbraw/zinc/04/33/48/1073043348.db2.gz CNSRTPMKFKXPGY-CABCVRRESA-N 1 1 429.539 0.598 20 0 ICADMO COc1ccc(S(=O)(=O)NCCC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cc1OC ZINC001557440449 1073043620 /nfs/dbraw/zinc/04/36/20/1073043620.db2.gz CNSRTPMKFKXPGY-GJZGRUSLSA-N 1 1 429.539 0.598 20 0 ICADMO 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/nfs/dbraw/zinc/07/55/54/1073075554.db2.gz HSVXPUQOGMKFMO-KBXCAEBGSA-N 1 1 439.310 0.351 20 0 ICADMO C[N@H+]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)[C@@H](CO)C1 ZINC001557710874 1073075816 /nfs/dbraw/zinc/07/58/16/1073075816.db2.gz HSVXPUQOGMKFMO-KDOFPFPSSA-N 1 1 439.310 0.351 20 0 ICADMO C[N@@H+]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)[C@@H](CO)C1 ZINC001557710874 1073075807 /nfs/dbraw/zinc/07/58/07/1073075807.db2.gz HSVXPUQOGMKFMO-KDOFPFPSSA-N 1 1 439.310 0.351 20 0 ICADMO C[N@H+]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)[C@H](CO)C1 ZINC001557710877 1073075897 /nfs/dbraw/zinc/07/58/97/1073075897.db2.gz HSVXPUQOGMKFMO-KSSFIOAISA-N 1 1 439.310 0.351 20 0 ICADMO C[N@@H+]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)[C@H](CO)C1 ZINC001557710877 1073075883 /nfs/dbraw/zinc/07/58/83/1073075883.db2.gz HSVXPUQOGMKFMO-KSSFIOAISA-N 1 1 439.310 0.351 20 0 ICADMO C[N@H+]1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)[C@@H](CO)C1 ZINC001557710880 1073075925 /nfs/dbraw/zinc/07/59/25/1073075925.db2.gz HSVXPUQOGMKFMO-RDTXWAMCSA-N 1 1 439.310 0.351 20 0 ICADMO C[N@@H+]1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)[C@@H](CO)C1 ZINC001557710880 1073075914 /nfs/dbraw/zinc/07/59/14/1073075914.db2.gz HSVXPUQOGMKFMO-RDTXWAMCSA-N 1 1 439.310 0.351 20 0 ICADMO O=C(c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N1CCC([NH+]2CCOCC2)CC1 ZINC001557719882 1073076846 /nfs/dbraw/zinc/07/68/46/1073076846.db2.gz BIPFZLSTTGGAEU-UHFFFAOYSA-N 1 1 441.525 0.783 20 0 ICADMO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3C[C@]4(C)C[N@H+](C)C[C@]4(C)C3)c2)CC1 ZINC001557740318 1073078240 /nfs/dbraw/zinc/07/82/40/1073078240.db2.gz IKCMZUQEPBKCAX-SZPZYZBQSA-N 1 1 448.589 0.953 20 0 ICADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C1=NOC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001557748766 1073080567 /nfs/dbraw/zinc/08/05/67/1073080567.db2.gz IKYSMXHIUGYFAT-UHFFFAOYSA-N 1 1 437.541 0.765 20 0 ICADMO CO[C@@H]1C[C@H](C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)N(C(=O)OCc2ccccc2)C1 ZINC001557749071 1073080416 /nfs/dbraw/zinc/08/04/16/1073080416.db2.gz KTSSUGYVGPZSEY-RTBURBONSA-N 1 1 432.521 0.645 20 0 ICADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F ZINC001557749782 1073080495 /nfs/dbraw/zinc/08/04/95/1073080495.db2.gz SCFCCIVAJHWIDH-UHFFFAOYSA-N 1 1 430.477 0.252 20 0 ICADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)Cn1nc(Br)c(Br)n1 ZINC001557749859 1073080460 /nfs/dbraw/zinc/08/04/60/1073080460.db2.gz UIADLBWYPWWBPM-UHFFFAOYSA-N 1 1 438.124 0.036 20 0 ICADMO COCCN1C(=O)c2ccc(C(=O)N3CC[NH+](CCCCCO)CC3)cc2S1(=O)=O ZINC001557749889 1073080681 /nfs/dbraw/zinc/08/06/81/1073080681.db2.gz ADTPKDNPFJJFFN-UHFFFAOYSA-N 1 1 439.534 0.398 20 0 ICADMO CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC001557750171 1073081062 /nfs/dbraw/zinc/08/10/62/1073081062.db2.gz YZIRUKBDEPWVLU-UHFFFAOYSA-N 1 1 428.530 0.701 20 0 ICADMO COCCN1C(=O)c2ccc(C(=O)N3CC[NH2+][C@@H](c4ccc(O)cc4)C3)cc2S1(=O)=O ZINC001557764583 1073081814 /nfs/dbraw/zinc/08/18/14/1073081814.db2.gz JKFRMWISQCIWCP-GOSISDBHSA-N 1 1 445.497 0.970 20 0 ICADMO COCCN1C(=O)c2ccc(C(=O)N3CC[NH2+][C@H](c4ccc(O)cc4)C3)cc2S1(=O)=O ZINC001557764584 1073082228 /nfs/dbraw/zinc/08/22/28/1073082228.db2.gz JKFRMWISQCIWCP-SFHVURJKSA-N 1 1 445.497 0.970 20 0 ICADMO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC[NH2+][C@H](c3ccc(O)cc3)C2)c1 ZINC001557765746 1073082312 /nfs/dbraw/zinc/08/23/12/1073082312.db2.gz SIQJZBVLRKKFSX-IBGZPJMESA-N 1 1 448.545 0.758 20 0 ICADMO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC[NH2+][C@@H](c3ccc(O)cc3)C2)c1 ZINC001557765747 1073082168 /nfs/dbraw/zinc/08/21/68/1073082168.db2.gz SIQJZBVLRKKFSX-LJQANCHMSA-N 1 1 448.545 0.758 20 0 ICADMO C[N@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(NS(N)(=O)=O)C1 ZINC001557780301 1073083186 /nfs/dbraw/zinc/08/31/86/1073083186.db2.gz NBIFAYLQMNEWQM-INIZCTEOSA-N 1 1 441.554 0.016 20 0 ICADMO C[N@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(NS(N)(=O)=O)C1 ZINC001557780303 1073082957 /nfs/dbraw/zinc/08/29/57/1073082957.db2.gz NBIFAYLQMNEWQM-MRXNPFEDSA-N 1 1 441.554 0.016 20 0 ICADMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC001557785117 1073083490 /nfs/dbraw/zinc/08/34/90/1073083490.db2.gz DOIHCFZFFMWRJG-KBXCAEBGSA-N 1 1 433.534 0.419 20 0 ICADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC001557785120 1073083631 /nfs/dbraw/zinc/08/36/31/1073083631.db2.gz DOIHCFZFFMWRJG-KDOFPFPSSA-N 1 1 433.534 0.419 20 0 ICADMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC001557785123 1073083721 /nfs/dbraw/zinc/08/37/21/1073083721.db2.gz DOIHCFZFFMWRJG-KSSFIOAISA-N 1 1 433.534 0.419 20 0 ICADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC001557785125 1073083526 /nfs/dbraw/zinc/08/35/26/1073083526.db2.gz DOIHCFZFFMWRJG-RDTXWAMCSA-N 1 1 433.534 0.419 20 0 ICADMO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CC[NH+](CCc3ccncc3)CC2)[C@H](C)O)cc1 ZINC001557799187 1073084924 /nfs/dbraw/zinc/08/49/24/1073084924.db2.gz PFCYBQNGJZHPLP-GHTZIAJQSA-N 1 1 446.573 0.805 20 0 ICADMO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[NH+](CCc3ccncc3)CC2)[C@@H](C)O)cc1 ZINC001557799189 1073084803 /nfs/dbraw/zinc/08/48/03/1073084803.db2.gz PFCYBQNGJZHPLP-NQIIRXRSSA-N 1 1 446.573 0.805 20 0 ICADMO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[NH+](CCc3ccncc3)CC2)[C@H](C)O)cc1 ZINC001557799190 1073084858 /nfs/dbraw/zinc/08/48/58/1073084858.db2.gz PFCYBQNGJZHPLP-RXVVDRJESA-N 1 1 446.573 0.805 20 0 ICADMO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CC[NH+](CCc3ccncc3)CC2)[C@@H](C)O)cc1 ZINC001557799192 1073084775 /nfs/dbraw/zinc/08/47/75/1073084775.db2.gz PFCYBQNGJZHPLP-WIYYLYMNSA-N 1 1 446.573 0.805 20 0 ICADMO NS(=O)(=O)c1cc(Br)c(Cl)c(C(=O)NCC[N@H+]2CC[C@H](O)C2)c1 ZINC001557815652 1073086900 /nfs/dbraw/zinc/08/69/00/1073086900.db2.gz APYHZGKXJKUXSU-QMMMGPOBSA-N 1 1 426.720 0.546 20 0 ICADMO CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCC[N@H+]2CC[C@H](O)C2)cc1 ZINC001557815939 1073086808 /nfs/dbraw/zinc/08/68/08/1073086808.db2.gz DDRLSHITKSKXSF-JENIJYKNSA-N 1 1 425.551 0.117 20 0 ICADMO CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCC[N@H+]2CC[C@H](O)C2)cc1 ZINC001557815943 1073086970 /nfs/dbraw/zinc/08/69/70/1073086970.db2.gz DDRLSHITKSKXSF-LNLFQRSKSA-N 1 1 425.551 0.117 20 0 ICADMO CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCC[N@H+]2CC[C@H](O)C2)cc1 ZINC001557815948 1073086682 /nfs/dbraw/zinc/08/66/82/1073086682.db2.gz DDRLSHITKSKXSF-SCTDSRPQSA-N 1 1 425.551 0.117 20 0 ICADMO CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)NCC[N@H+]2CC[C@H](O)C2)cc1 ZINC001557815951 1073087317 /nfs/dbraw/zinc/08/73/17/1073087317.db2.gz DDRLSHITKSKXSF-YQVWRLOYSA-N 1 1 425.551 0.117 20 0 ICADMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cnc2ccc(I)cc2c1O ZINC001557816746 1073087410 /nfs/dbraw/zinc/08/74/10/1073087410.db2.gz KOCCATRUTSHWBO-NSHDSACASA-N 1 1 427.242 0.929 20 0 ICADMO COc1cccc([C@@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)CCN2)c1 ZINC001557823218 1073087579 /nfs/dbraw/zinc/08/75/79/1073087579.db2.gz YCOXSDSSLZIXAP-LEWJYISDSA-N 1 1 430.549 0.881 20 0 ICADMO COc1cccc([C@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)CCN2)c1 ZINC001557823220 1073087611 /nfs/dbraw/zinc/08/76/11/1073087611.db2.gz YCOXSDSSLZIXAP-NHCUHLMSSA-N 1 1 430.549 0.881 20 0 ICADMO COc1cccc([C@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)CCN2)c1 ZINC001557823222 1073087898 /nfs/dbraw/zinc/08/78/98/1073087898.db2.gz YCOXSDSSLZIXAP-RTWAWAEBSA-N 1 1 430.549 0.881 20 0 ICADMO COc1cccc([C@@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)CCN2)c1 ZINC001557823224 1073087722 /nfs/dbraw/zinc/08/77/22/1073087722.db2.gz YCOXSDSSLZIXAP-SFTDATJTSA-N 1 1 430.549 0.881 20 0 ICADMO C[C@H](C(=O)N1CCN(c2ncc(I)cn2)CC1)N1CC[NH+](C)CC1 ZINC001557852425 1073091187 /nfs/dbraw/zinc/09/11/87/1073091187.db2.gz SNCQCJUMLYCWTC-CYBMUJFWSA-N 1 1 444.321 0.366 20 0 ICADMO C[C@@H](C(=O)N1CCN(c2ncc(I)cn2)CC1)N1CC[NH+](C)CC1 ZINC001557852431 1073091233 /nfs/dbraw/zinc/09/12/33/1073091233.db2.gz SNCQCJUMLYCWTC-ZDUSSCGKSA-N 1 1 444.321 0.366 20 0 ICADMO COc1ccc([C@@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC[NH2+]2)cc1 ZINC001557863968 1073092256 /nfs/dbraw/zinc/09/22/56/1073092256.db2.gz MQKKIDBDENMIQE-PMACEKPBSA-N 1 1 442.491 0.910 20 0 ICADMO COc1ccc([C@@H]2CN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC[NH2+]2)cc1 ZINC001557863969 1073092432 /nfs/dbraw/zinc/09/24/32/1073092432.db2.gz MQKKIDBDENMIQE-UXHICEINSA-N 1 1 442.491 0.910 20 0 ICADMO COc1ccc([C@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC[NH2+]2)cc1 ZINC001557863971 1073092212 /nfs/dbraw/zinc/09/22/12/1073092212.db2.gz MQKKIDBDENMIQE-VQTJNVASSA-N 1 1 442.491 0.910 20 0 ICADMO COc1ccc([C@H]2CN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC[NH2+]2)cc1 ZINC001557863973 1073092365 /nfs/dbraw/zinc/09/23/65/1073092365.db2.gz MQKKIDBDENMIQE-WOJBJXKFSA-N 1 1 442.491 0.910 20 0 ICADMO CCn1c(CCC(=O)NCC[N@H+]2CC[C@@H](O)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC001557865563 1073092112 /nfs/dbraw/zinc/09/21/12/1073092112.db2.gz MLLJZIQPSLZWEO-OAHLLOKOSA-N 1 1 437.566 0.422 20 0 ICADMO CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCC[N@H+]3CC[C@@H](O)C3)c2c1 ZINC001557866458 1073092285 /nfs/dbraw/zinc/09/22/85/1073092285.db2.gz WCIKIQOBKKDXAZ-CQSZACIVSA-N 1 1 436.534 0.767 20 0 ICADMO COc1ccc([C@H]2CN(C(=O)[C@H](C)NS(=O)(=O)c3c(C)nn(C)c3C)CC[NH2+]2)cc1 ZINC001557870054 1073092049 /nfs/dbraw/zinc/09/20/49/1073092049.db2.gz KNTUPVIRIIBREU-KBXCAEBGSA-N 1 1 435.550 0.885 20 0 ICADMO COc1ccc([C@@H]2CN(C(=O)[C@@H](C)NS(=O)(=O)c3c(C)nn(C)c3C)CC[NH2+]2)cc1 ZINC001557870055 1073092323 /nfs/dbraw/zinc/09/23/23/1073092323.db2.gz KNTUPVIRIIBREU-KDOFPFPSSA-N 1 1 435.550 0.885 20 0 ICADMO COc1ccc([C@@H]2CN(C(=O)[C@H](C)NS(=O)(=O)c3c(C)nn(C)c3C)CC[NH2+]2)cc1 ZINC001557870056 1073092462 /nfs/dbraw/zinc/09/24/62/1073092462.db2.gz KNTUPVIRIIBREU-KSSFIOAISA-N 1 1 435.550 0.885 20 0 ICADMO COc1ccc([C@H]2CN(C(=O)[C@@H](C)NS(=O)(=O)c3c(C)nn(C)c3C)CC[NH2+]2)cc1 ZINC001557870057 1073092186 /nfs/dbraw/zinc/09/21/86/1073092186.db2.gz KNTUPVIRIIBREU-RDTXWAMCSA-N 1 1 435.550 0.885 20 0 ICADMO CC(=O)NCC(=O)N1CCCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001557878253 1073092916 /nfs/dbraw/zinc/09/29/16/1073092916.db2.gz PZTWDUNGPGMZBU-UHFFFAOYSA-N 1 1 439.557 0.126 20 0 ICADMO COc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001557882659 1073093876 /nfs/dbraw/zinc/09/38/76/1073093876.db2.gz JWRXOJMFSGXHCV-INIZCTEOSA-N 1 1 441.550 0.291 20 0 ICADMO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)c1 ZINC001557882698 1073093987 /nfs/dbraw/zinc/09/39/87/1073093987.db2.gz KOXVYCRVWWUVMZ-ZDUSSCGKSA-N 1 1 433.958 0.840 20 0 ICADMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)C1 ZINC001557883906 1073094508 /nfs/dbraw/zinc/09/45/08/1073094508.db2.gz SDSHGFCBSIPWGE-ZDUSSCGKSA-N 1 1 431.580 0.469 20 0 ICADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001557896234 1073095767 /nfs/dbraw/zinc/09/57/67/1073095767.db2.gz JVMCBUJKIOGCJX-BTHPGYMESA-N 1 1 433.574 0.906 20 0 ICADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001557896238 1073095932 /nfs/dbraw/zinc/09/59/32/1073095932.db2.gz JVMCBUJKIOGCJX-GTAWCEEGSA-N 1 1 433.574 0.906 20 0 ICADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001557896241 1073095790 /nfs/dbraw/zinc/09/57/90/1073095790.db2.gz JVMCBUJKIOGCJX-LMCOJAPRSA-N 1 1 433.574 0.906 20 0 ICADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001557896244 1073095655 /nfs/dbraw/zinc/09/56/55/1073095655.db2.gz JVMCBUJKIOGCJX-RSPOEFSDSA-N 1 1 433.574 0.906 20 0 ICADMO Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC001557909696 1073097281 /nfs/dbraw/zinc/09/72/81/1073097281.db2.gz AHZYKDXOGOJFSE-KRWDZBQOSA-N 1 1 435.550 0.204 20 0 ICADMO Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC001557909696 1073097277 /nfs/dbraw/zinc/09/72/77/1073097277.db2.gz AHZYKDXOGOJFSE-KRWDZBQOSA-N 1 1 435.550 0.204 20 0 ICADMO Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC001557909697 1073097323 /nfs/dbraw/zinc/09/73/23/1073097323.db2.gz AHZYKDXOGOJFSE-QGZVFWFLSA-N 1 1 435.550 0.204 20 0 ICADMO Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC001557909697 1073097311 /nfs/dbraw/zinc/09/73/11/1073097311.db2.gz AHZYKDXOGOJFSE-QGZVFWFLSA-N 1 1 435.550 0.204 20 0 ICADMO NC(=O)c1cn(CCC(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)c(=O)[nH]c1=O ZINC001557910183 1073097445 /nfs/dbraw/zinc/09/74/45/1073097445.db2.gz NUCVFDXQDZABGD-KRWDZBQOSA-N 1 1 427.505 0.999 20 0 ICADMO NC(=O)c1cn(CCC(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)c(=O)[nH]c1=O ZINC001557910184 1073097845 /nfs/dbraw/zinc/09/78/45/1073097845.db2.gz NUCVFDXQDZABGD-QGZVFWFLSA-N 1 1 427.505 0.999 20 0 ICADMO C[N@H+]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1CO ZINC001557910695 1073097945 /nfs/dbraw/zinc/09/79/45/1073097945.db2.gz VGYAYRAIGKAJDV-JTQLQIEISA-N 1 1 429.848 0.772 20 0 ICADMO 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0 ICADMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 ZINC001558198504 1073147655 /nfs/dbraw/zinc/14/76/55/1073147655.db2.gz UMPKEJNXBNMQFI-RCCFBDPRSA-N 1 1 443.591 0.463 20 0 ICADMO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 ZINC001558198504 1073147647 /nfs/dbraw/zinc/14/76/47/1073147647.db2.gz UMPKEJNXBNMQFI-RCCFBDPRSA-N 1 1 443.591 0.463 20 0 ICADMO COc1ccc(C[C@](C)(CO)NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC001558237701 1073151879 /nfs/dbraw/zinc/15/18/79/1073151879.db2.gz AAWXOBBYSLVKAE-NFBKMPQASA-N 1 1 433.549 0.818 20 0 ICADMO COc1ccc(C[C@](C)(CO)NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC001558237703 1073151810 /nfs/dbraw/zinc/15/18/10/1073151810.db2.gz AAWXOBBYSLVKAE-NZQKXSOJSA-N 1 1 433.549 0.818 20 0 ICADMO COc1ccc(C[C@@](C)(CO)NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC001558237705 1073151898 /nfs/dbraw/zinc/15/18/98/1073151898.db2.gz AAWXOBBYSLVKAE-OFNKIYASSA-N 1 1 433.549 0.818 20 0 ICADMO COc1ccc(C[C@@](C)(CO)NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC001558237707 1073151772 /nfs/dbraw/zinc/15/17/72/1073151772.db2.gz AAWXOBBYSLVKAE-REWPJTCUSA-N 1 1 433.549 0.818 20 0 ICADMO Cn1cc(/C=C\C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCOCC2)c(=O)n(C)c1=O ZINC001558251223 1073153254 /nfs/dbraw/zinc/15/32/54/1073153254.db2.gz CTTLCORYJXNMOZ-KTKRTIGZSA-N 1 1 426.517 0.895 20 0 ICADMO Cn1cc(/C=C/C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCOCC2)c(=O)n(C)c1=O ZINC001558251228 1073153221 /nfs/dbraw/zinc/15/32/21/1073153221.db2.gz CTTLCORYJXNMOZ-MDZDMXLPSA-N 1 1 426.517 0.895 20 0 ICADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)CCOCC1 ZINC001558251670 1073153269 /nfs/dbraw/zinc/15/32/69/1073153269.db2.gz GNBGUTZNPUKCDT-UHFFFAOYSA-N 1 1 443.504 0.235 20 0 ICADMO CN1CC[NH+](Cc2ccc(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)cc2)CC1 ZINC001558268913 1073154529 /nfs/dbraw/zinc/15/45/29/1073154529.db2.gz UGUUUNMUFLJDTM-UHFFFAOYSA-N 1 1 437.544 0.596 20 0 ICADMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC001558297307 1073156293 /nfs/dbraw/zinc/15/62/93/1073156293.db2.gz AQYQOGJHFAYGHS-FQEVSTJZSA-N 1 1 434.496 0.784 20 0 ICADMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC001558297309 1073156303 /nfs/dbraw/zinc/15/63/03/1073156303.db2.gz AQYQOGJHFAYGHS-HXUWFJFHSA-N 1 1 434.496 0.784 20 0 ICADMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)CC1 ZINC001558297631 1073156212 /nfs/dbraw/zinc/15/62/12/1073156212.db2.gz LEHDDXZXKNKZJT-NJNPRVFISA-N 1 1 430.574 0.942 20 0 ICADMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)CC1 ZINC001558297632 1073156248 /nfs/dbraw/zinc/15/62/48/1073156248.db2.gz LEHDDXZXKNKZJT-NPPFBWRTSA-N 1 1 430.574 0.942 20 0 ICADMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)CC1 ZINC001558297633 1073156321 /nfs/dbraw/zinc/15/63/21/1073156321.db2.gz LEHDDXZXKNKZJT-SPEDKVCISA-N 1 1 430.574 0.942 20 0 ICADMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)CC1 ZINC001558297634 1073156308 /nfs/dbraw/zinc/15/63/08/1073156308.db2.gz LEHDDXZXKNKZJT-SVMVAKDDSA-N 1 1 430.574 0.942 20 0 ICADMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CSCC(=O)N2CCOCC2)CC1 ZINC001558297656 1073156258 /nfs/dbraw/zinc/15/62/58/1073156258.db2.gz MGOACAQXCPMHTA-IBGZPJMESA-N 1 1 448.589 0.080 20 0 ICADMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)CSCC(=O)N2CCOCC2)CC1 ZINC001558297657 1073156318 /nfs/dbraw/zinc/15/63/18/1073156318.db2.gz MGOACAQXCPMHTA-LJQANCHMSA-N 1 1 448.589 0.080 20 0 ICADMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)COc2ccccc2)CC1 ZINC001558297765 1073156313 /nfs/dbraw/zinc/15/63/13/1073156313.db2.gz PZQNHSPSTFEWFW-NRFANRHFSA-N 1 1 438.528 0.683 20 0 ICADMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)COc2ccccc2)CC1 ZINC001558297766 1073156718 /nfs/dbraw/zinc/15/67/18/1073156718.db2.gz PZQNHSPSTFEWFW-OAQYLSRUSA-N 1 1 438.528 0.683 20 0 ICADMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC001558298307 1073156808 /nfs/dbraw/zinc/15/68/08/1073156808.db2.gz DWTYIKRPVXSYML-DLBZAZTESA-N 1 1 440.466 0.899 20 0 ICADMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC001558298308 1073156759 /nfs/dbraw/zinc/15/67/59/1073156759.db2.gz DWTYIKRPVXSYML-IAGOWNOFSA-N 1 1 440.466 0.899 20 0 ICADMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC001558298309 1073156844 /nfs/dbraw/zinc/15/68/44/1073156844.db2.gz DWTYIKRPVXSYML-IRXDYDNUSA-N 1 1 440.466 0.899 20 0 ICADMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC001558298310 1073156838 /nfs/dbraw/zinc/15/68/38/1073156838.db2.gz DWTYIKRPVXSYML-SJORKVTESA-N 1 1 440.466 0.899 20 0 ICADMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)OCC(F)(F)F)CC1 ZINC001558298441 1073156781 /nfs/dbraw/zinc/15/67/81/1073156781.db2.gz FMXPTKVOPPVXIM-HNNXBMFYSA-N 1 1 430.427 0.776 20 0 ICADMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)OCC(F)(F)F)CC1 ZINC001558298442 1073156751 /nfs/dbraw/zinc/15/67/51/1073156751.db2.gz FMXPTKVOPPVXIM-OAHLLOKOSA-N 1 1 430.427 0.776 20 0 ICADMO COC(=O)c1ncoc1COCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001558299971 1073156744 /nfs/dbraw/zinc/15/67/44/1073156744.db2.gz LZAGRFQRLYNZHS-KRWDZBQOSA-N 1 1 444.488 0.479 20 0 ICADMO COC(=O)c1ncoc1COCC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001558299972 1073156770 /nfs/dbraw/zinc/15/67/70/1073156770.db2.gz LZAGRFQRLYNZHS-QGZVFWFLSA-N 1 1 444.488 0.479 20 0 ICADMO CC1=C(C)C(=O)N(CCC(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)C1=O ZINC001558302045 1073157286 /nfs/dbraw/zinc/15/72/86/1073157286.db2.gz VTSKALOHZJHETC-LJQANCHMSA-N 1 1 426.517 0.583 20 0 ICADMO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCN(C4C[NH+](C)C4)CC3)c2)C[C@H](C)O1 ZINC001558306846 1073157709 /nfs/dbraw/zinc/15/77/09/1073157709.db2.gz GVZURKLXIMRCQF-CALCHBBNSA-N 1 1 436.578 0.556 20 0 ICADMO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCN(C4C[NH+](C)C4)CC3)c2)C[C@@H](C)O1 ZINC001558306848 1073157740 /nfs/dbraw/zinc/15/77/40/1073157740.db2.gz GVZURKLXIMRCQF-IAGOWNOFSA-N 1 1 436.578 0.556 20 0 ICADMO C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCN(C4C[NH+](C)C4)CC3)c2)C[C@H](C)O1 ZINC001558306849 1073157689 /nfs/dbraw/zinc/15/76/89/1073157689.db2.gz GVZURKLXIMRCQF-IRXDYDNUSA-N 1 1 436.578 0.556 20 0 ICADMO CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C4C[NH+](C)C4)CC3)CC2)cc1 ZINC001558307894 1073158135 /nfs/dbraw/zinc/15/81/35/1073158135.db2.gz NANHMRYUMDSICQ-UHFFFAOYSA-N 1 1 448.589 0.748 20 0 ICADMO C[NH+]1CC(N2CCN(C(=O)CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001558308163 1073158168 /nfs/dbraw/zinc/15/81/68/1073158168.db2.gz NYWDRYBFMLUOHW-UHFFFAOYSA-N 1 1 436.456 0.322 20 0 ICADMO COc1cc(N2C[C@@H](C(=O)N3CCN(C4C[NH+](C)C4)CC3)CC2=O)cc(OC)c1OC ZINC001558308528 1073158117 /nfs/dbraw/zinc/15/81/17/1073158117.db2.gz QSMYBJYVJSVICF-HNNXBMFYSA-N 1 1 432.521 0.524 20 0 ICADMO COc1cc(N2C[C@H](C(=O)N3CCN(C4C[NH+](C)C4)CC3)CC2=O)cc(OC)c1OC ZINC001558308529 1073158173 /nfs/dbraw/zinc/15/81/73/1073158173.db2.gz QSMYBJYVJSVICF-OAHLLOKOSA-N 1 1 432.521 0.524 20 0 ICADMO C[NH+]1CC(N2CCN(C(=O)c3sccc3S(=O)(=O)N3CCSCC3)CC2)C1 ZINC001558308831 1073158182 /nfs/dbraw/zinc/15/81/82/1073158182.db2.gz TWOMZDVBSNIPDG-UHFFFAOYSA-N 1 1 430.621 0.557 20 0 ICADMO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)c1 ZINC001558324111 1073160862 /nfs/dbraw/zinc/16/08/62/1073160862.db2.gz CYUGYUSDTGQSFL-UHFFFAOYSA-N 1 1 438.550 0.180 20 0 ICADMO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)c1 ZINC001558324111 1073160856 /nfs/dbraw/zinc/16/08/56/1073160856.db2.gz CYUGYUSDTGQSFL-UHFFFAOYSA-N 1 1 438.550 0.180 20 0 ICADMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)CNC(=O)c2ccc(Br)s2)CC1 ZINC001558324604 1073160817 /nfs/dbraw/zinc/16/08/17/1073160817.db2.gz JVRRJVCUIAZXIW-UHFFFAOYSA-N 1 1 431.356 0.863 20 0 ICADMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)c2ccc(Br)s2)CC1 ZINC001558324604 1073160812 /nfs/dbraw/zinc/16/08/12/1073160812.db2.gz JVRRJVCUIAZXIW-UHFFFAOYSA-N 1 1 431.356 0.863 20 0 ICADMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC001558324656 1073160776 /nfs/dbraw/zinc/16/07/76/1073160776.db2.gz LNJJQMYJCKRBGQ-UHFFFAOYSA-N 1 1 445.564 0.563 20 0 ICADMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC001558324656 1073160770 /nfs/dbraw/zinc/16/07/70/1073160770.db2.gz LNJJQMYJCKRBGQ-UHFFFAOYSA-N 1 1 445.564 0.563 20 0 ICADMO COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001558348132 1073164608 /nfs/dbraw/zinc/16/46/08/1073164608.db2.gz AOKDSKLMPRSNQY-JZXOWHBKSA-N 1 1 437.562 0.923 20 0 ICADMO COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001558348132 1073164606 /nfs/dbraw/zinc/16/46/06/1073164606.db2.gz AOKDSKLMPRSNQY-JZXOWHBKSA-N 1 1 437.562 0.923 20 0 ICADMO COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001558348133 1073164547 /nfs/dbraw/zinc/16/45/47/1073164547.db2.gz AOKDSKLMPRSNQY-LZLYRXPVSA-N 1 1 437.562 0.923 20 0 ICADMO COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001558348133 1073164543 /nfs/dbraw/zinc/16/45/43/1073164543.db2.gz AOKDSKLMPRSNQY-LZLYRXPVSA-N 1 1 437.562 0.923 20 0 ICADMO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)c1 ZINC001558360190 1073166663 /nfs/dbraw/zinc/16/66/63/1073166663.db2.gz FUDFERJGJQWZPG-AEFFLSMTSA-N 1 1 440.591 0.480 20 0 ICADMO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC001558360190 1073166660 /nfs/dbraw/zinc/16/66/60/1073166660.db2.gz FUDFERJGJQWZPG-AEFFLSMTSA-N 1 1 440.591 0.480 20 0 ICADMO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)c1 ZINC001558360191 1073167153 /nfs/dbraw/zinc/16/71/53/1073167153.db2.gz FUDFERJGJQWZPG-FUHWJXTLSA-N 1 1 440.591 0.480 20 0 ICADMO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC001558360191 1073167148 /nfs/dbraw/zinc/16/71/48/1073167148.db2.gz FUDFERJGJQWZPG-FUHWJXTLSA-N 1 1 440.591 0.480 20 0 ICADMO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c1 ZINC001558360192 1073167085 /nfs/dbraw/zinc/16/70/85/1073167085.db2.gz FUDFERJGJQWZPG-SJLPKXTDSA-N 1 1 440.591 0.480 20 0 ICADMO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC001558360192 1073167081 /nfs/dbraw/zinc/16/70/81/1073167081.db2.gz FUDFERJGJQWZPG-SJLPKXTDSA-N 1 1 440.591 0.480 20 0 ICADMO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)c1 ZINC001558360193 1073167185 /nfs/dbraw/zinc/16/71/85/1073167185.db2.gz FUDFERJGJQWZPG-WMZOPIPTSA-N 1 1 440.591 0.480 20 0 ICADMO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC001558360193 1073167182 /nfs/dbraw/zinc/16/71/82/1073167182.db2.gz FUDFERJGJQWZPG-WMZOPIPTSA-N 1 1 440.591 0.480 20 0 ICADMO Cc1cc(=O)[nH]c(N2CCC[C@@H](NC(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)n1 ZINC001558362971 1073167104 /nfs/dbraw/zinc/16/71/04/1073167104.db2.gz NUEVJDLVLXGTTA-MSOLQXFVSA-N 1 1 446.552 0.289 20 0 ICADMO Cc1cc(=O)[nH]c(N2CCC[C@@H](NC(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)C2)n1 ZINC001558362972 1073167052 /nfs/dbraw/zinc/16/70/52/1073167052.db2.gz NUEVJDLVLXGTTA-QZTJIDSGSA-N 1 1 446.552 0.289 20 0 ICADMO Cc1cc(=O)[nH]c(N2CCC[C@H](NC(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)n1 ZINC001558362973 1073167225 /nfs/dbraw/zinc/16/72/25/1073167225.db2.gz NUEVJDLVLXGTTA-ROUUACIJSA-N 1 1 446.552 0.289 20 0 ICADMO Cc1cc(=O)[nH]c(N2CCC[C@H](NC(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)C2)n1 ZINC001558362974 1073167169 /nfs/dbraw/zinc/16/71/69/1073167169.db2.gz NUEVJDLVLXGTTA-ZWKOTPCHSA-N 1 1 446.552 0.289 20 0 ICADMO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001558378252 1073168100 /nfs/dbraw/zinc/16/81/00/1073168100.db2.gz LYPGNVHCACNWKM-BHYGNILZSA-N 1 1 444.598 0.999 20 0 ICADMO C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001558378255 1073168131 /nfs/dbraw/zinc/16/81/31/1073168131.db2.gz LYPGNVHCACNWKM-OIISXLGYSA-N 1 1 444.598 0.999 20 0 ICADMO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 ZINC001558379729 1073168148 /nfs/dbraw/zinc/16/81/48/1073168148.db2.gz ZVQVAHSJDQMMLJ-IYBDPMFKSA-N 1 1 435.525 0.613 20 0 ICADMO NC(=O)c1cn(CCC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(=O)[nH]c1=O ZINC001558416430 1073172132 /nfs/dbraw/zinc/17/21/32/1073172132.db2.gz KVQIMTUBAZAIHH-SJORKVTESA-N 1 1 425.489 0.418 20 0 ICADMO C[C@H]1[C@H](NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)CC[N@H+]1C ZINC001558426189 1073173442 /nfs/dbraw/zinc/17/34/42/1073173442.db2.gz IDEKIMATTIKIRU-DOTOQJQBSA-N 1 1 449.577 0.736 20 0 ICADMO C[C@@H]1[C@H](NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)CC[N@H+]1C ZINC001558426190 1073173477 /nfs/dbraw/zinc/17/34/77/1073173477.db2.gz IDEKIMATTIKIRU-NVXWUHKLSA-N 1 1 449.577 0.736 20 0 ICADMO C[C@H]1[C@@H](NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)CC[N@H+]1C ZINC001558426191 1073173380 /nfs/dbraw/zinc/17/33/80/1073173380.db2.gz IDEKIMATTIKIRU-RDJZCZTQSA-N 1 1 449.577 0.736 20 0 ICADMO C[C@@H]1[C@@H](NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)CC[N@H+]1C ZINC001558426193 1073173560 /nfs/dbraw/zinc/17/35/60/1073173560.db2.gz IDEKIMATTIKIRU-WBVHZDCISA-N 1 1 449.577 0.736 20 0 ICADMO C[C@@H]1[C@H](NC(=O)CCn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)CC[N@H+]1C ZINC001558427355 1073173976 /nfs/dbraw/zinc/17/39/76/1073173976.db2.gz QSMGEBVNJXSNQE-GDBMZVCRSA-N 1 1 436.534 0.978 20 0 ICADMO C[C@H]1[C@H](NC(=O)CCn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)CC[N@H+]1C ZINC001558427357 1073173971 /nfs/dbraw/zinc/17/39/71/1073173971.db2.gz QSMGEBVNJXSNQE-GOEBONIOSA-N 1 1 436.534 0.978 20 0 ICADMO C[C@H]1[C@@H](NC(=O)CCn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)CC[N@H+]1C ZINC001558427359 1073173945 /nfs/dbraw/zinc/17/39/45/1073173945.db2.gz QSMGEBVNJXSNQE-HOCLYGCPSA-N 1 1 436.534 0.978 20 0 ICADMO C[C@@H]1[C@@H](NC(=O)CCn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)CC[N@H+]1C ZINC001558427360 1073173990 /nfs/dbraw/zinc/17/39/90/1073173990.db2.gz QSMGEBVNJXSNQE-ZBFHGGJFSA-N 1 1 436.534 0.978 20 0 ICADMO C[NH+]1CCN(c2nc3ccc(NC(=O)[C@@H]4CCCN(S(N)(=O)=O)C4)cc3s2)CC1 ZINC001558444337 1073174684 /nfs/dbraw/zinc/17/46/84/1073174684.db2.gz LMXWZPUDFLHTCK-CYBMUJFWSA-N 1 1 438.579 0.902 20 0 ICADMO C[NH+]1CCN(c2nc3ccc(NC(=O)[C@H]4CCCN(S(N)(=O)=O)C4)cc3s2)CC1 ZINC001558444338 1073174704 /nfs/dbraw/zinc/17/47/04/1073174704.db2.gz LMXWZPUDFLHTCK-ZDUSSCGKSA-N 1 1 438.579 0.902 20 0 ICADMO C[N@H+]1CC[C@H]1CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001558462771 1073176470 /nfs/dbraw/zinc/17/64/70/1073176470.db2.gz MPUKUXXWFAUQKF-INIZCTEOSA-N 1 1 426.514 0.259 20 0 ICADMO C[N@H+]1CC[C@@H]1CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001558462772 1073176441 /nfs/dbraw/zinc/17/64/41/1073176441.db2.gz MPUKUXXWFAUQKF-MRXNPFEDSA-N 1 1 426.514 0.259 20 0 ICADMO C[N@H+]1CC[C@H]1CNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F ZINC001558463569 1073176379 /nfs/dbraw/zinc/17/63/79/1073176379.db2.gz YBZFAIJWWJWCJF-AAEUAGOBSA-N 1 1 436.456 0.438 20 0 ICADMO C[N@H+]1CC[C@@H]1CNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F ZINC001558463570 1073176384 /nfs/dbraw/zinc/17/63/84/1073176384.db2.gz YBZFAIJWWJWCJF-DGCLKSJQSA-N 1 1 436.456 0.438 20 0 ICADMO C[N@H+]1CC[C@H]1CNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F ZINC001558463571 1073176421 /nfs/dbraw/zinc/17/64/21/1073176421.db2.gz YBZFAIJWWJWCJF-WCQYABFASA-N 1 1 436.456 0.438 20 0 ICADMO C[N@H+]1CC[C@@H]1CNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F ZINC001558463573 1073176411 /nfs/dbraw/zinc/17/64/11/1073176411.db2.gz YBZFAIJWWJWCJF-YPMHNXCESA-N 1 1 436.456 0.438 20 0 ICADMO COCCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)c1 ZINC001558538300 1073185263 /nfs/dbraw/zinc/18/52/63/1073185263.db2.gz GEHCAKCWHMHPBN-KRWDZBQOSA-N 1 1 425.551 0.903 20 0 ICADMO COCCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)c1 ZINC001558538301 1073185105 /nfs/dbraw/zinc/18/51/05/1073185105.db2.gz GEHCAKCWHMHPBN-QGZVFWFLSA-N 1 1 425.551 0.903 20 0 ICADMO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCN(C)CC[N@H+](C)CC3)CC2)c1 ZINC001558543150 1073185368 /nfs/dbraw/zinc/18/53/68/1073185368.db2.gz BUNYOPJKBJYYPU-UHFFFAOYSA-N 1 1 437.610 0.153 20 0 ICADMO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCN(C)CC[N@@H+](C)CC3)CC2)c1 ZINC001558543150 1073185363 /nfs/dbraw/zinc/18/53/63/1073185363.db2.gz BUNYOPJKBJYYPU-UHFFFAOYSA-N 1 1 437.610 0.153 20 0 ICADMO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001558543575 1073185075 /nfs/dbraw/zinc/18/50/75/1073185075.db2.gz JPSPAGYDEFYOAP-GOSISDBHSA-N 1 1 428.624 0.792 20 0 ICADMO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001558543576 1073185204 /nfs/dbraw/zinc/18/52/04/1073185204.db2.gz JPSPAGYDEFYOAP-SFHVURJKSA-N 1 1 428.624 0.792 20 0 ICADMO CN1CCN(C(=O)CNS(=O)(=O)c2cccc(Br)c2)CC[N@@H+](C)CC1 ZINC001558543777 1073185380 /nfs/dbraw/zinc/18/53/80/1073185380.db2.gz MYWHJNNIUVTIHT-UHFFFAOYSA-N 1 1 433.372 0.433 20 0 ICADMO CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001558546161 1073185823 /nfs/dbraw/zinc/18/58/23/1073185823.db2.gz NLHHKVKIDNLEQU-MSOLQXFVSA-N 1 1 425.618 0.918 20 0 ICADMO CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001558546165 1073185736 /nfs/dbraw/zinc/18/57/36/1073185736.db2.gz NLHHKVKIDNLEQU-QZTJIDSGSA-N 1 1 425.618 0.918 20 0 ICADMO CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001558546166 1073185798 /nfs/dbraw/zinc/18/57/98/1073185798.db2.gz NLHHKVKIDNLEQU-ROUUACIJSA-N 1 1 425.618 0.918 20 0 ICADMO CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001558546168 1073185768 /nfs/dbraw/zinc/18/57/68/1073185768.db2.gz NLHHKVKIDNLEQU-ZWKOTPCHSA-N 1 1 425.618 0.918 20 0 ICADMO Cn1cnc(S(=O)(=O)NCC(=O)N2CCC[N@@H+](Cc3ccccc3)CCOCC2)c1 ZINC001558589097 1073191156 /nfs/dbraw/zinc/19/11/56/1073191156.db2.gz HNCGFAFGVDHBBU-UHFFFAOYSA-N 1 1 435.550 0.450 20 0 ICADMO CN1CCn2nc(C(=O)N3CCC[N@@H+](Cc4ccccc4)CCOCC3)cc2S1(=O)=O ZINC001558589666 1073191133 /nfs/dbraw/zinc/19/11/33/1073191133.db2.gz GQRJWSSFRXPOLW-UHFFFAOYSA-N 1 1 447.561 0.882 20 0 ICADMO COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC([NH2+]C4COC4)C3)CC2)cc1OC ZINC001558610888 1073193567 /nfs/dbraw/zinc/19/35/67/1073193567.db2.gz BLMUAYXXOPSLNP-UHFFFAOYSA-N 1 1 439.534 0.304 20 0 ICADMO O=C(c1cc(S(=O)(=O)NC2CC2)ccc1Br)N1CC([NH2+]C2COC2)C1 ZINC001558610949 1073193454 /nfs/dbraw/zinc/19/34/54/1073193454.db2.gz DFSMDMFKPQCTLC-UHFFFAOYSA-N 1 1 430.324 0.703 20 0 ICADMO CSCC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001558611074 1073193651 /nfs/dbraw/zinc/19/36/51/1073193651.db2.gz IGUMSIRRSXQSKU-IQBZNYMQSA-N 1 1 425.576 0.898 20 0 ICADMO CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001558611075 1073193497 /nfs/dbraw/zinc/19/34/97/1073193497.db2.gz IGUMSIRRSXQSKU-IZTUGPKFSA-N 1 1 425.576 0.898 20 0 ICADMO CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001558611076 1073194221 /nfs/dbraw/zinc/19/42/21/1073194221.db2.gz IGUMSIRRSXQSKU-LNENJAERSA-N 1 1 425.576 0.898 20 0 ICADMO CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001558611077 1073194054 /nfs/dbraw/zinc/19/40/54/1073194054.db2.gz IGUMSIRRSXQSKU-XSFOEPMVSA-N 1 1 425.576 0.898 20 0 ICADMO CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)N3CC([NH2+]C4COC4)C3)c2c1 ZINC001558611139 1073194199 /nfs/dbraw/zinc/19/41/99/1073194199.db2.gz LCXRFQWXEYWYHJ-UHFFFAOYSA-N 1 1 434.518 0.784 20 0 ICADMO Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N1CC([NH2+]C2COC2)C1 ZINC001558611337 1073194210 /nfs/dbraw/zinc/19/42/10/1073194210.db2.gz QXMDQVZJEOICNT-UHFFFAOYSA-N 1 1 433.534 0.268 20 0 ICADMO O=C(c1cc(I)ccc1-n1cnnn1)N1CC([NH2+]C2COC2)C1 ZINC001558611359 1073194149 /nfs/dbraw/zinc/19/41/49/1073194149.db2.gz RXIBZMCCTZKCCQ-UHFFFAOYSA-N 1 1 426.218 0.080 20 0 ICADMO CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001558611415 1073194017 /nfs/dbraw/zinc/19/40/17/1073194017.db2.gz VHNIPUSILZXACO-INIZCTEOSA-N 1 1 429.926 0.072 20 0 ICADMO CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001558611416 1073194080 /nfs/dbraw/zinc/19/40/80/1073194080.db2.gz VHNIPUSILZXACO-MRXNPFEDSA-N 1 1 429.926 0.072 20 0 ICADMO CC(C)(C)OC(=O)N1CCO[C@](C(=O)OC(C)(C)C)(C(=O)N2CC([NH2+]C3COC3)C2)C1 ZINC001558611801 1073194125 /nfs/dbraw/zinc/19/41/25/1073194125.db2.gz USKCZQKWVYUVIT-NRFANRHFSA-N 1 1 441.525 0.533 20 0 ICADMO CC(C)(C)OC(=O)N1CCO[C@@](C(=O)OC(C)(C)C)(C(=O)N2CC([NH2+]C3COC3)C2)C1 ZINC001558611802 1073194166 /nfs/dbraw/zinc/19/41/66/1073194166.db2.gz USKCZQKWVYUVIT-OAQYLSRUSA-N 1 1 441.525 0.533 20 0 ICADMO NC(=O)C1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc3cccnc3)C1)CCS2(=O)=O ZINC001558672556 1073202864 /nfs/dbraw/zinc/20/28/64/1073202864.db2.gz ZERMHPYFKPXKIK-BXAPWLEFSA-N 1 1 434.562 0.621 20 0 ICADMO NC(=O)C1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc3cccnc3)C1)CCS2(=O)=O ZINC001558672556 1073202860 /nfs/dbraw/zinc/20/28/60/1073202860.db2.gz ZERMHPYFKPXKIK-BXAPWLEFSA-N 1 1 434.562 0.621 20 0 ICADMO NC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc3cccnc3)C1)CCS2(=O)=O ZINC001558672558 1073202997 /nfs/dbraw/zinc/20/29/97/1073202997.db2.gz ZERMHPYFKPXKIK-LCUHEZEJSA-N 1 1 434.562 0.621 20 0 ICADMO NC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc3cccnc3)C1)CCS2(=O)=O ZINC001558672558 1073202991 /nfs/dbraw/zinc/20/29/91/1073202991.db2.gz ZERMHPYFKPXKIK-LCUHEZEJSA-N 1 1 434.562 0.621 20 0 ICADMO NC(=O)C1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc3cccnc3)C1)CCS2(=O)=O ZINC001558672560 1073202984 /nfs/dbraw/zinc/20/29/84/1073202984.db2.gz ZERMHPYFKPXKIK-LWLAFGSWSA-N 1 1 434.562 0.621 20 0 ICADMO NC(=O)C1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc3cccnc3)C1)CCS2(=O)=O ZINC001558672560 1073202978 /nfs/dbraw/zinc/20/29/78/1073202978.db2.gz ZERMHPYFKPXKIK-LWLAFGSWSA-N 1 1 434.562 0.621 20 0 ICADMO NC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc3cccnc3)C1)CCS2(=O)=O ZINC001558672563 1073202919 /nfs/dbraw/zinc/20/29/19/1073202919.db2.gz ZERMHPYFKPXKIK-RAJLDSNDSA-N 1 1 434.562 0.621 20 0 ICADMO NC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc3cccnc3)C1)CCS2(=O)=O ZINC001558672563 1073202915 /nfs/dbraw/zinc/20/29/15/1073202915.db2.gz ZERMHPYFKPXKIK-RAJLDSNDSA-N 1 1 434.562 0.621 20 0 ICADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCc1ncc(Br)cn1 ZINC001558694826 1073205239 /nfs/dbraw/zinc/20/52/39/1073205239.db2.gz AKCYCWVDRFCNRX-AWEZNQCLSA-N 1 1 426.315 0.569 20 0 ICADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCc1ncc(Br)cn1 ZINC001558694827 1073205686 /nfs/dbraw/zinc/20/56/86/1073205686.db2.gz AKCYCWVDRFCNRX-CQSZACIVSA-N 1 1 426.315 0.569 20 0 ICADMO O=C(c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001558701678 1073206137 /nfs/dbraw/zinc/20/61/37/1073206137.db2.gz CKUPVWMKLDZGHD-PMACEKPBSA-N 1 1 437.562 0.503 20 0 ICADMO O=C(c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001558701679 1073206632 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1073219565 /nfs/dbraw/zinc/21/95/65/1073219565.db2.gz GMNAPSGLJQROBL-VARILPKDSA-N 1 1 431.533 0.947 20 0 ICADMO C[C@H](CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)NS(=O)(=O)c1cccnc1Cl ZINC001558840325 1073219603 /nfs/dbraw/zinc/21/96/03/1073219603.db2.gz IRXWCPPKXFWRCQ-QWQRMKEZSA-N 1 1 446.957 0.134 20 0 ICADMO C[C@@H](CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)NS(=O)(=O)c1cccnc1Cl ZINC001558840326 1073219536 /nfs/dbraw/zinc/21/95/36/1073219536.db2.gz IRXWCPPKXFWRCQ-SUNYJGFJSA-N 1 1 446.957 0.134 20 0 ICADMO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001558840407 1073219298 /nfs/dbraw/zinc/21/92/98/1073219298.db2.gz LLVFEHTVODZXQB-DHSIGJKJSA-N 1 1 431.942 0.349 20 0 ICADMO C[C@]1(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)C[C@H](O)CN1C(=O)OCc1ccccc1 ZINC001558840519 1073219411 /nfs/dbraw/zinc/21/94/11/1073219411.db2.gz ABHRUBVZSILBHT-BZRIBIQUSA-N 1 1 447.532 0.490 20 0 ICADMO C[C@@]1(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)C[C@H](O)CN1C(=O)OCc1ccccc1 ZINC001558840520 1073219518 /nfs/dbraw/zinc/21/95/18/1073219518.db2.gz ABHRUBVZSILBHT-DHNNRRLOSA-N 1 1 447.532 0.490 20 0 ICADMO C[C@@]1(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC001558840521 1073219391 /nfs/dbraw/zinc/21/93/91/1073219391.db2.gz ABHRUBVZSILBHT-JFSTXAPLSA-N 1 1 447.532 0.490 20 0 ICADMO C[C@]1(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC001558840522 1073219478 /nfs/dbraw/zinc/21/94/78/1073219478.db2.gz ABHRUBVZSILBHT-TWRVUUBYSA-N 1 1 447.532 0.490 20 0 ICADMO C[C@@H](C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001558840668 1073219632 /nfs/dbraw/zinc/21/96/32/1073219632.db2.gz QVIZOMJDNGIVPD-OXFYSEKESA-N 1 1 425.551 0.382 20 0 ICADMO C[C@H](C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001558840669 1073219444 /nfs/dbraw/zinc/21/94/44/1073219444.db2.gz QVIZOMJDNGIVPD-RIFZZMRRSA-N 1 1 425.551 0.382 20 0 ICADMO COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC001558846669 1073220428 /nfs/dbraw/zinc/22/04/28/1073220428.db2.gz BUDNMJCFFISZRA-UHFFFAOYSA-N 1 1 446.529 1.000 20 0 ICADMO C[NH+]1CCN(C(=O)CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC001558846717 1073220412 /nfs/dbraw/zinc/22/04/12/1073220412.db2.gz FKIMWLLTRRJFII-UHFFFAOYSA-N 1 1 426.514 0.504 20 0 ICADMO C[NH+]1CCN(C(=O)CNC(=O)CN2C(=O)COc3cc(Br)ccc32)CC1 ZINC001558847258 1073220303 /nfs/dbraw/zinc/22/03/03/1073220303.db2.gz CEUPWLBTLJQPDW-UHFFFAOYSA-N 1 1 425.283 0.065 20 0 ICADMO C[N@@H+](CC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCC[C@H]1O ZINC001558879790 1073222088 /nfs/dbraw/zinc/22/20/88/1073222088.db2.gz POUBDCVVXOWFPU-FGTMMUONSA-N 1 1 438.569 0.902 20 0 ICADMO Nc1ncc(Br)cc1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001558892297 1073222467 /nfs/dbraw/zinc/22/24/67/1073222467.db2.gz TVWWPRDJSHYLCM-HNNXBMFYSA-N 1 1 440.342 0.756 20 0 ICADMO Nc1ncc(Br)cc1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001558892298 1073222535 /nfs/dbraw/zinc/22/25/35/1073222535.db2.gz TVWWPRDJSHYLCM-OAHLLOKOSA-N 1 1 440.342 0.756 20 0 ICADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC001558921361 1073224568 /nfs/dbraw/zinc/22/45/68/1073224568.db2.gz ZUSRURGEEMZYFR-CZYKHXBRSA-N 1 1 449.617 0.837 20 0 ICADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC001558921363 1073224478 /nfs/dbraw/zinc/22/44/78/1073224478.db2.gz ZUSRURGEEMZYFR-GXRSIYKFSA-N 1 1 449.617 0.837 20 0 ICADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC001558921364 1073224516 /nfs/dbraw/zinc/22/45/16/1073224516.db2.gz ZUSRURGEEMZYFR-YSFYHYPLSA-N 1 1 449.617 0.837 20 0 ICADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC001558921366 1073224535 /nfs/dbraw/zinc/22/45/35/1073224535.db2.gz ZUSRURGEEMZYFR-YUMYIRISSA-N 1 1 449.617 0.837 20 0 ICADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)CC1 ZINC001558946530 1073225400 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LVNDJIUIJRSEFN-AWEZNQCLSA-N 1 1 426.901 0.821 20 0 ICADMO CCOC(=O)c1cnc(C(=O)N[C@@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)c(Cl)c1 ZINC001558992926 1073227494 /nfs/dbraw/zinc/22/74/94/1073227494.db2.gz LVNDJIUIJRSEFN-CQSZACIVSA-N 1 1 426.901 0.821 20 0 ICADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@](N)(c2cccc(F)c2)C(F)(F)F)CC1=O ZINC001558993160 1073227938 /nfs/dbraw/zinc/22/79/38/1073227938.db2.gz QPBQPKHVUKDZCY-CRAIPNDOSA-N 1 1 434.434 0.837 20 0 ICADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@](N)(c2cccc(F)c2)C(F)(F)F)CC1=O ZINC001558993162 1073227965 /nfs/dbraw/zinc/22/79/65/1073227965.db2.gz QPBQPKHVUKDZCY-MAUKXSAKSA-N 1 1 434.434 0.837 20 0 ICADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@](N)(c2cccc(F)c2)C(F)(F)F)CC1=O ZINC001558993163 1073227889 /nfs/dbraw/zinc/22/78/89/1073227889.db2.gz QPBQPKHVUKDZCY-QAPCUYQASA-N 1 1 434.434 0.837 20 0 ICADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@](N)(c2cccc(F)c2)C(F)(F)F)CC1=O ZINC001558993165 1073228035 /nfs/dbraw/zinc/22/80/35/1073228035.db2.gz QPBQPKHVUKDZCY-YJBOKZPZSA-N 1 1 434.434 0.837 20 0 ICADMO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CC[NH+](CCCF)CC2)c1 ZINC001558999363 1073228537 /nfs/dbraw/zinc/22/85/37/1073228537.db2.gz LAZUTCVAZYLAMR-UHFFFAOYSA-N 1 1 442.557 0.891 20 0 ICADMO CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CC[NH+](CCCF)CC2)cc1 ZINC001558999737 1073228510 /nfs/dbraw/zinc/22/85/10/1073228510.db2.gz SMSVUKGUZMAPRQ-UHFFFAOYSA-N 1 1 442.557 0.951 20 0 ICADMO CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)CNC(=O)c1ccc(O)cc1 ZINC001559004199 1073228620 /nfs/dbraw/zinc/22/86/20/1073228620.db2.gz CFTFTTNMWYZNGV-UHFFFAOYSA-N 1 1 438.484 0.808 20 0 ICADMO CCn1c2ccc(NC(=O)CCC(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)nc2n(CC)c1=O ZINC001559005976 1073228993 /nfs/dbraw/zinc/22/89/93/1073228993.db2.gz QFFSHYBZJYSNRG-LSDHHAIUSA-N 1 1 430.509 0.234 20 0 ICADMO CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc1 ZINC001559006953 1073228941 /nfs/dbraw/zinc/22/89/41/1073228941.db2.gz FXCAMWTUPRCWBP-MSOLQXFVSA-N 1 1 436.578 0.857 20 0 ICADMO Cn1c2ccc(NC(=O)CCC(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)nc2n(C)c1=O ZINC001559017869 1073230291 /nfs/dbraw/zinc/23/02/91/1073230291.db2.gz ZUISKJADMQUXLZ-HNNXBMFYSA-N 1 1 430.509 0.048 20 0 ICADMO Cn1c2ccc(NC(=O)CCC(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)nc2n(C)c1=O ZINC001559017873 1073230253 /nfs/dbraw/zinc/23/02/53/1073230253.db2.gz ZUISKJADMQUXLZ-OAHLLOKOSA-N 1 1 430.509 0.048 20 0 ICADMO CCn1c2ccc(NC(=O)CCC(=O)N[C@H]3CC[N@@H+](CC(C)(C)O)C3)nc2n(CC)c1=O ZINC001559023696 1073230609 /nfs/dbraw/zinc/23/06/09/1073230609.db2.gz FSIHXXWXFSNLHS-HNNXBMFYSA-N 1 1 446.552 0.918 20 0 ICADMO Cc1cccc(N2C(=O)N[C@H](CCC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@H+]43)C2=O)c1 ZINC001559045880 1073232329 /nfs/dbraw/zinc/23/23/29/1073232329.db2.gz XEKZIQNUNVLBME-NJNPRVFISA-N 1 1 430.505 0.542 20 0 ICADMO Cc1cccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@H+]43)C2=O)c1 ZINC001559045881 1073232481 /nfs/dbraw/zinc/23/24/81/1073232481.db2.gz XEKZIQNUNVLBME-NPPFBWRTSA-N 1 1 430.505 0.542 20 0 ICADMO COCC[N@@H+](C)CCN1C[C@H](Nc2nc(C)ncc2I)CC1=O ZINC001559216803 1073233284 /nfs/dbraw/zinc/23/32/84/1073233284.db2.gz OJRBXYAGHSHLGI-GFCCVEGCSA-N 1 1 433.294 0.981 20 0 ICADMO COCC[N@@H+](C)CCN1C[C@@H](Nc2nc(C)ncc2I)CC1=O ZINC001559216804 1073233266 /nfs/dbraw/zinc/23/32/66/1073233266.db2.gz OJRBXYAGHSHLGI-LBPRGKRZSA-N 1 1 433.294 0.981 20 0 ICADMO CCOC(=O)CN(C)C(=O)C[N@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC001559509388 1073239389 /nfs/dbraw/zinc/23/93/89/1073239389.db2.gz ZHKIGGDWNOMEMS-HNNXBMFYSA-N 1 1 428.530 0.361 20 0 ICADMO CCOC(=O)CN(C)C(=O)C[N@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC001559509389 1073239188 /nfs/dbraw/zinc/23/91/88/1073239188.db2.gz ZHKIGGDWNOMEMS-OAHLLOKOSA-N 1 1 428.530 0.361 20 0 ICADMO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1 ZINC001559512045 1073239291 /nfs/dbraw/zinc/23/92/91/1073239291.db2.gz LWHDKSFPWKGALE-FQEVSTJZSA-N 1 1 444.557 0.946 20 0 ICADMO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cc1 ZINC001559512054 1073239270 /nfs/dbraw/zinc/23/92/70/1073239270.db2.gz LWHDKSFPWKGALE-HXUWFJFHSA-N 1 1 444.557 0.946 20 0 ICADMO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)CCCN2C(=O)CS/C2=C/C(=O)OC)CC1 ZINC001559518270 1073239214 /nfs/dbraw/zinc/23/92/14/1073239214.db2.gz PKEPGOGUKXAPSZ-LDADJPATSA-N 1 1 441.550 0.700 20 0 ICADMO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)CCCN2C(=O)CS/C2=C\C(=O)OC)CC1 ZINC001559518271 1073239322 /nfs/dbraw/zinc/23/93/22/1073239322.db2.gz PKEPGOGUKXAPSZ-PDGQHHTCSA-N 1 1 441.550 0.700 20 0 ICADMO COC(=O)CCN1CCC[C@H]([NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)C1=O ZINC001559544677 1073239919 /nfs/dbraw/zinc/23/99/19/1073239919.db2.gz DDSNKYASVLINHL-AWEZNQCLSA-N 1 1 443.488 0.829 20 0 ICADMO COC(=O)CCN1CCC[C@@H]([NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)C1=O ZINC001559544678 1073239871 /nfs/dbraw/zinc/23/98/71/1073239871.db2.gz DDSNKYASVLINHL-CQSZACIVSA-N 1 1 443.488 0.829 20 0 ICADMO COC(=O)CCN1CCC[C@H]([NH+]2CCN(CCNC(=O)c3ccccc3F)CC2)C1=O ZINC001559556848 1073240330 /nfs/dbraw/zinc/24/03/30/1073240330.db2.gz KPJMSQGKDSVZAN-IBGZPJMESA-N 1 1 434.512 0.727 20 0 ICADMO COC(=O)CCN1CCC[C@@H]([NH+]2CCN(CCNC(=O)c3ccccc3F)CC2)C1=O ZINC001559556849 1073240477 /nfs/dbraw/zinc/24/04/77/1073240477.db2.gz KPJMSQGKDSVZAN-LJQANCHMSA-N 1 1 434.512 0.727 20 0 ICADMO COc1nc(N2CC[NH+](C[C@](O)(C(N)=O)c3ccccc3)CC2)ncc1Br ZINC001559580053 1073240304 /nfs/dbraw/zinc/24/03/04/1073240304.db2.gz FENMPLHIPPZUKG-GOSISDBHSA-N 1 1 436.310 0.743 20 0 ICADMO COc1nc(N2CC[NH+](C[C@@](O)(C(N)=O)c3ccccc3)CC2)ncc1Br ZINC001559580057 1073240953 /nfs/dbraw/zinc/24/09/53/1073240953.db2.gz FENMPLHIPPZUKG-SFHVURJKSA-N 1 1 436.310 0.743 20 0 ICADMO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)CC1 ZINC001559592711 1073240794 /nfs/dbraw/zinc/24/07/94/1073240794.db2.gz RVNHBSRTSXKNMR-KRWDZBQOSA-N 1 1 436.578 0.669 20 0 ICADMO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)CC1 ZINC001559592712 1073240845 /nfs/dbraw/zinc/24/08/45/1073240845.db2.gz RVNHBSRTSXKNMR-QGZVFWFLSA-N 1 1 436.578 0.669 20 0 ICADMO CCOC(=O)C1CCC(O)(C[C@H](O)C[NH+]2CCN([C@@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC001559597791 1073240907 /nfs/dbraw/zinc/24/09/07/1073240907.db2.gz GXMBKGGXHZHQBL-GFJLWIRXSA-N 1 1 439.597 0.850 20 0 ICADMO CCOC(=O)C1CCC(O)(C[C@@H](O)C[NH+]2CCN([C@@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC001559597792 1073240826 /nfs/dbraw/zinc/24/08/26/1073240826.db2.gz GXMBKGGXHZHQBL-JOZVDFOLSA-N 1 1 439.597 0.850 20 0 ICADMO CCOC(=O)C1CCC(O)(C[C@H](O)C[NH+]2CCN([C@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC001559597793 1073240940 /nfs/dbraw/zinc/24/09/40/1073240940.db2.gz GXMBKGGXHZHQBL-LHKABPNQSA-N 1 1 439.597 0.850 20 0 ICADMO CCOC(=O)C1CCC(O)(C[C@@H](O)C[NH+]2CCN([C@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC001559597794 1073240966 /nfs/dbraw/zinc/24/09/66/1073240966.db2.gz GXMBKGGXHZHQBL-TVJQWHPQSA-N 1 1 439.597 0.850 20 0 ICADMO CCc1nc(CN2CC[NH+](C[C@H](O)C3(S(=O)(=O)NC(C)(C)C)CCC3)CC2)no1 ZINC001559603032 1073241399 /nfs/dbraw/zinc/24/13/99/1073241399.db2.gz HVDREXQGNPIQCH-HNNXBMFYSA-N 1 1 429.587 0.751 20 0 ICADMO CCc1nc(CN2CC[NH+](C[C@@H](O)C3(S(=O)(=O)NC(C)(C)C)CCC3)CC2)no1 ZINC001559603033 1073241227 /nfs/dbraw/zinc/24/12/27/1073241227.db2.gz HVDREXQGNPIQCH-OAHLLOKOSA-N 1 1 429.587 0.751 20 0 ICADMO CS(=O)(=O)N1CCC(NC(=O)C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)CC1 ZINC001559605291 1073241205 /nfs/dbraw/zinc/24/12/05/1073241205.db2.gz LUOBCDIBXOUDGN-UHFFFAOYSA-N 1 1 437.566 0.813 20 0 ICADMO CS(=O)(=O)N1CCC(NC(=O)C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)CC1 ZINC001559605393 1073241418 /nfs/dbraw/zinc/24/14/18/1073241418.db2.gz QBWUQZVMLLQYQN-UHFFFAOYSA-N 1 1 443.614 0.623 20 0 ICADMO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC001559605813 1073241356 /nfs/dbraw/zinc/24/13/56/1073241356.db2.gz FPDSNFPSRHHLCM-INIZCTEOSA-N 1 1 429.564 0.034 20 0 ICADMO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC001559605813 1073241348 /nfs/dbraw/zinc/24/13/48/1073241348.db2.gz FPDSNFPSRHHLCM-INIZCTEOSA-N 1 1 429.564 0.034 20 0 ICADMO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC001559605814 1073241383 /nfs/dbraw/zinc/24/13/83/1073241383.db2.gz FPDSNFPSRHHLCM-MRXNPFEDSA-N 1 1 429.564 0.034 20 0 ICADMO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC001559605814 1073241377 /nfs/dbraw/zinc/24/13/77/1073241377.db2.gz FPDSNFPSRHHLCM-MRXNPFEDSA-N 1 1 429.564 0.034 20 0 ICADMO CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001559620075 1073241692 /nfs/dbraw/zinc/24/16/92/1073241692.db2.gz IAXPCKJHYCAJCA-UHFFFAOYSA-N 1 1 449.518 0.342 20 0 ICADMO C[N@@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001559635335 1073242204 /nfs/dbraw/zinc/24/22/04/1073242204.db2.gz AKJHIURUWRQNFI-UHFFFAOYSA-N 1 1 436.578 0.763 20 0 ICADMO CC(C)(C)OC(=O)CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC001559636272 1073242854 /nfs/dbraw/zinc/24/28/54/1073242854.db2.gz FCUVHTDTKMKDPK-UHFFFAOYSA-N 1 1 440.566 0.956 20 0 ICADMO O=S(=O)(c1ccc(N2CC[NH+](CCOC3CCOCC3)CC2)nc1)N1CCOCC1 ZINC001559636566 1073242946 /nfs/dbraw/zinc/24/29/46/1073242946.db2.gz OJQCULUYANOGCZ-UHFFFAOYSA-N 1 1 440.566 0.420 20 0 ICADMO O=S(=O)(c1ccc(N2CC[NH+](CCO[C@H]3CCOC3)CC2)nc1)N1CCOCC1 ZINC001559636709 1073242743 /nfs/dbraw/zinc/24/27/43/1073242743.db2.gz UWADTRJZNPMMND-KRWDZBQOSA-N 1 1 426.539 0.030 20 0 ICADMO O=S(=O)(c1ccc(N2CC[NH+](CCO[C@@H]3CCOC3)CC2)nc1)N1CCOCC1 ZINC001559636710 1073242717 /nfs/dbraw/zinc/24/27/17/1073242717.db2.gz UWADTRJZNPMMND-QGZVFWFLSA-N 1 1 426.539 0.030 20 0 ICADMO CCOC(C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1)OCC ZINC001559636712 1073242889 /nfs/dbraw/zinc/24/28/89/1073242889.db2.gz VBSDZBGPTFNBEQ-UHFFFAOYSA-N 1 1 428.555 0.624 20 0 ICADMO CCOC(=O)CNC(=O)C1CC[NH+](CC(=O)NCC(=O)Nc2cc(C)ccc2OC)CC1 ZINC001559663308 1073244034 /nfs/dbraw/zinc/24/40/34/1073244034.db2.gz TZLXSWKMUWLOKT-UHFFFAOYSA-N 1 1 448.520 0.450 20 0 ICADMO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](C[NH+]1CCC(N3CCC[C@@H]3C(N)=O)CC1)OC2=O ZINC001559669052 1073244435 /nfs/dbraw/zinc/24/44/35/1073244435.db2.gz SMPGZIHSLCWACF-DLBZAZTESA-N 1 1 436.553 0.953 20 0 ICADMO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](CN1CCC([N@H+]3CCC[C@@H]3C(N)=O)CC1)OC2=O ZINC001559669052 1073244432 /nfs/dbraw/zinc/24/44/32/1073244432.db2.gz SMPGZIHSLCWACF-DLBZAZTESA-N 1 1 436.553 0.953 20 0 ICADMO CC(C)(C)OC(=O)N1CC2(C1)C[C@H](C[NH+]1CCC(N3CCC[C@@H]3C(N)=O)CC1)OC2=O ZINC001559669053 1073244524 /nfs/dbraw/zinc/24/45/24/1073244524.db2.gz SMPGZIHSLCWACF-IAGOWNOFSA-N 1 1 436.553 0.953 20 0 ICADMO CC(C)(C)OC(=O)N1CC2(C1)C[C@H](CN1CCC([N@H+]3CCC[C@@H]3C(N)=O)CC1)OC2=O ZINC001559669053 1073244522 /nfs/dbraw/zinc/24/45/22/1073244522.db2.gz SMPGZIHSLCWACF-IAGOWNOFSA-N 1 1 436.553 0.953 20 0 ICADMO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](C[NH+]1CCC(N3CCC[C@H]3C(N)=O)CC1)OC2=O ZINC001559669054 1073244512 /nfs/dbraw/zinc/24/45/12/1073244512.db2.gz SMPGZIHSLCWACF-IRXDYDNUSA-N 1 1 436.553 0.953 20 0 ICADMO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](CN1CCC([N@H+]3CCC[C@H]3C(N)=O)CC1)OC2=O ZINC001559669054 1073244508 /nfs/dbraw/zinc/24/45/08/1073244508.db2.gz SMPGZIHSLCWACF-IRXDYDNUSA-N 1 1 436.553 0.953 20 0 ICADMO CC(C)(C)OC(=O)N1CC2(C1)C[C@H](C[NH+]1CCC(N3CCC[C@H]3C(N)=O)CC1)OC2=O ZINC001559669055 1073244474 /nfs/dbraw/zinc/24/44/74/1073244474.db2.gz SMPGZIHSLCWACF-SJORKVTESA-N 1 1 436.553 0.953 20 0 ICADMO CC(C)(C)OC(=O)N1CC2(C1)C[C@H](CN1CCC([N@H+]3CCC[C@H]3C(N)=O)CC1)OC2=O ZINC001559669055 1073244472 /nfs/dbraw/zinc/24/44/72/1073244472.db2.gz SMPGZIHSLCWACF-SJORKVTESA-N 1 1 436.553 0.953 20 0 ICADMO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001559672811 1073244417 /nfs/dbraw/zinc/24/44/17/1073244417.db2.gz SSHPUVIQGJKTSN-CMKODMSKSA-N 1 1 432.583 0.987 20 0 ICADMO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001559672812 1073244463 /nfs/dbraw/zinc/24/44/63/1073244463.db2.gz SSHPUVIQGJKTSN-NLWGTHIKSA-N 1 1 432.583 0.987 20 0 ICADMO C[C@H]([NH2+]CC(=O)NC1CCN(S(C)(=O)=O)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001559680145 1073244542 /nfs/dbraw/zinc/24/45/42/1073244542.db2.gz VDAVVKKDZQRZLB-AWEZNQCLSA-N 1 1 446.595 0.128 20 0 ICADMO C[C@@H]([NH2+]CC(=O)NC1CCN(S(C)(=O)=O)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001559680147 1073244360 /nfs/dbraw/zinc/24/43/60/1073244360.db2.gz VDAVVKKDZQRZLB-CQSZACIVSA-N 1 1 446.595 0.128 20 0 ICADMO CC[C@H]([NH2+]CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)c1cccc(S(N)(=O)=O)c1 ZINC001559700991 1073244451 /nfs/dbraw/zinc/24/44/51/1073244451.db2.gz IYLGSUNEXOZNHW-AWEZNQCLSA-N 1 1 438.472 0.854 20 0 ICADMO CC[C@@H]([NH2+]CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)c1cccc(S(N)(=O)=O)c1 ZINC001559700992 1073244382 /nfs/dbraw/zinc/24/43/82/1073244382.db2.gz IYLGSUNEXOZNHW-CQSZACIVSA-N 1 1 438.472 0.854 20 0 ICADMO CC[C@@H]1C[N@@H+](CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)C[C@@H]1O ZINC001559718735 1073244502 /nfs/dbraw/zinc/24/45/02/1073244502.db2.gz LBTCMPFGAXCUEP-MOPGFXCFSA-N 1 1 425.551 0.973 20 0 ICADMO CC[C@H]1C[N@@H+](CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)C[C@@H]1O ZINC001559718736 1073244994 /nfs/dbraw/zinc/24/49/94/1073244994.db2.gz LBTCMPFGAXCUEP-OALUTQOASA-N 1 1 425.551 0.973 20 0 ICADMO CC[C@H]1C[N@@H+](CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)C[C@H]1O ZINC001559718737 1073244876 /nfs/dbraw/zinc/24/48/76/1073244876.db2.gz LBTCMPFGAXCUEP-RBUKOAKNSA-N 1 1 425.551 0.973 20 0 ICADMO CC[C@@H]1C[N@@H+](CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)C[C@H]1O ZINC001559718738 1073245057 /nfs/dbraw/zinc/24/50/57/1073245057.db2.gz LBTCMPFGAXCUEP-RTBURBONSA-N 1 1 425.551 0.973 20 0 ICADMO C[N@@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001559760484 1073245397 /nfs/dbraw/zinc/24/53/97/1073245397.db2.gz STYQOTROWYNEIE-INIZCTEOSA-N 1 1 432.587 0.762 20 0 ICADMO C[N@@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001559760485 1073245424 /nfs/dbraw/zinc/24/54/24/1073245424.db2.gz STYQOTROWYNEIE-MRXNPFEDSA-N 1 1 432.587 0.762 20 0 ICADMO CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCC[N@H+]1CCCN1C(=O)CNC1=O ZINC001559777894 1073245861 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COC(=O)[C@H]1C[N@@H+](C[C@@H](O)COC2CCOCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001560175018 1073285325 /nfs/dbraw/zinc/28/53/25/1073285325.db2.gz DDNBHQYEVRWWCB-NVXWUHKLSA-N 1 1 428.526 0.885 20 0 ICADMO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)COC2CCOCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001560175019 1073285107 /nfs/dbraw/zinc/28/51/07/1073285107.db2.gz DDNBHQYEVRWWCB-RDJZCZTQSA-N 1 1 428.526 0.885 20 0 ICADMO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)COC2CCOCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001560175020 1073285340 /nfs/dbraw/zinc/28/53/40/1073285340.db2.gz DDNBHQYEVRWWCB-WBVHZDCISA-N 1 1 428.526 0.885 20 0 ICADMO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[NH2+][C@@H]3C(=O)NCC34CCOCC4)nc2c1 ZINC001560176012 1073285293 /nfs/dbraw/zinc/28/52/93/1073285293.db2.gz LRAYFZCNGNGYNE-GOSISDBHSA-N 1 1 435.550 0.978 20 0 ICADMO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[NH2+][C@H]3C(=O)NCC34CCOCC4)nc2c1 ZINC001560176013 1073285211 /nfs/dbraw/zinc/28/52/11/1073285211.db2.gz LRAYFZCNGNGYNE-SFHVURJKSA-N 1 1 435.550 0.978 20 0 ICADMO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC(CN2CCNC2=O)CC1 ZINC001560182361 1073285791 /nfs/dbraw/zinc/28/57/91/1073285791.db2.gz IOPAYWDZQQWVKC-AWEZNQCLSA-N 1 1 435.550 0.349 20 0 ICADMO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC(CN2CCNC2=O)CC1 ZINC001560182363 1073285819 /nfs/dbraw/zinc/28/58/19/1073285819.db2.gz IOPAYWDZQQWVKC-CQSZACIVSA-N 1 1 435.550 0.349 20 0 ICADMO Cn1c2ncn(CC[N@H+]3CCC[C@H](NC(=O)c4ccc(Cl)cc4)C3)c2c(=O)n(C)c1=O ZINC001560184205 1073286508 /nfs/dbraw/zinc/28/65/08/1073286508.db2.gz HPQSYXILQVJFGI-INIZCTEOSA-N 1 1 444.923 0.982 20 0 ICADMO Cn1c2ncn(CC[N@H+]3CCC[C@@H](NC(=O)c4ccc(Cl)cc4)C3)c2c(=O)n(C)c1=O ZINC001560184206 1073286404 /nfs/dbraw/zinc/28/64/04/1073286404.db2.gz HPQSYXILQVJFGI-MRXNPFEDSA-N 1 1 444.923 0.982 20 0 ICADMO Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)CC1 ZINC001560184845 1073286148 /nfs/dbraw/zinc/28/61/48/1073286148.db2.gz JNXLFBIHQJVSMP-SJORKVTESA-N 1 1 436.578 0.572 20 0 ICADMO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CCOC[C@@H]2C[C@H]2CCOC2)cc1 ZINC001560185292 1073286467 /nfs/dbraw/zinc/28/64/67/1073286467.db2.gz PXARKDCVZUDFTQ-MSOLQXFVSA-N 1 1 425.551 0.510 20 0 ICADMO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CCOC[C@H]2C[C@H]2CCOC2)cc1 ZINC001560185294 1073286219 /nfs/dbraw/zinc/28/62/19/1073286219.db2.gz PXARKDCVZUDFTQ-QZTJIDSGSA-N 1 1 425.551 0.510 20 0 ICADMO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CCOC[C@@H]2C[C@@H]2CCOC2)cc1 ZINC001560185295 1073286327 /nfs/dbraw/zinc/28/63/27/1073286327.db2.gz PXARKDCVZUDFTQ-ROUUACIJSA-N 1 1 425.551 0.510 20 0 ICADMO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CCOC[C@H]2C[C@@H]2CCOC2)cc1 ZINC001560185297 1073286293 /nfs/dbraw/zinc/28/62/93/1073286293.db2.gz PXARKDCVZUDFTQ-ZWKOTPCHSA-N 1 1 425.551 0.510 20 0 ICADMO CCOC(=O)[C@H]1CC[N@@H+](CC(=O)N(CC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)C1 ZINC001560188289 1073286866 /nfs/dbraw/zinc/28/68/66/1073286866.db2.gz YKGRPUJJVPLHIQ-INIZCTEOSA-N 1 1 443.504 0.817 20 0 ICADMO CCOC(=O)[C@H]1CC[N@H+](CC(=O)N(CC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)C1 ZINC001560188289 1073286855 /nfs/dbraw/zinc/28/68/55/1073286855.db2.gz YKGRPUJJVPLHIQ-INIZCTEOSA-N 1 1 443.504 0.817 20 0 ICADMO CCOC(=O)[C@@H]1CC[N@@H+](CC(=O)N(CC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)C1 ZINC001560188291 1073287051 /nfs/dbraw/zinc/28/70/51/1073287051.db2.gz YKGRPUJJVPLHIQ-MRXNPFEDSA-N 1 1 443.504 0.817 20 0 ICADMO CCOC(=O)[C@@H]1CC[N@H+](CC(=O)N(CC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)C1 ZINC001560188291 1073287040 /nfs/dbraw/zinc/28/70/40/1073287040.db2.gz YKGRPUJJVPLHIQ-MRXNPFEDSA-N 1 1 443.504 0.817 20 0 ICADMO O=C(C[N@H+]1CCC[C@H]1C1OCCO1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001560188302 1073287174 /nfs/dbraw/zinc/28/71/74/1073287174.db2.gz KLKLJYIJEHLXKQ-INIZCTEOSA-N 1 1 427.498 0.496 20 0 ICADMO O=C(C[N@@H+]1CCC[C@H]1C1OCCO1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001560188302 1073287163 /nfs/dbraw/zinc/28/71/63/1073287163.db2.gz KLKLJYIJEHLXKQ-INIZCTEOSA-N 1 1 427.498 0.496 20 0 ICADMO O=C(C[N@H+]1CCC[C@@H]1C1OCCO1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001560188308 1073287142 /nfs/dbraw/zinc/28/71/42/1073287142.db2.gz KLKLJYIJEHLXKQ-MRXNPFEDSA-N 1 1 427.498 0.496 20 0 ICADMO O=C(C[N@@H+]1CCC[C@@H]1C1OCCO1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001560188308 1073287130 /nfs/dbraw/zinc/28/71/30/1073287130.db2.gz KLKLJYIJEHLXKQ-MRXNPFEDSA-N 1 1 427.498 0.496 20 0 ICADMO NS(=O)(=O)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)C1 ZINC001560194079 1073287450 /nfs/dbraw/zinc/28/74/50/1073287450.db2.gz RTFBEGWQVXMEQF-BLLLJJGKSA-N 1 1 435.468 0.777 20 0 ICADMO NS(=O)(=O)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)C1 ZINC001560194171 1073287763 /nfs/dbraw/zinc/28/77/63/1073287763.db2.gz RTFBEGWQVXMEQF-LRDDRELGSA-N 1 1 435.468 0.777 20 0 ICADMO NS(=O)(=O)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)C1 ZINC001560194175 1073287632 /nfs/dbraw/zinc/28/76/32/1073287632.db2.gz RTFBEGWQVXMEQF-MLGOLLRUSA-N 1 1 435.468 0.777 20 0 ICADMO NS(=O)(=O)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)C1 ZINC001560194177 1073287498 /nfs/dbraw/zinc/28/74/98/1073287498.db2.gz RTFBEGWQVXMEQF-WBMJQRKESA-N 1 1 435.468 0.777 20 0 ICADMO O=C(C[NH+]1CCC2(CC1)C[C@H](O)CNC2=O)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC001560195651 1073287752 /nfs/dbraw/zinc/28/77/52/1073287752.db2.gz GLXUJETXIOUBCF-HNNXBMFYSA-N 1 1 432.477 0.459 20 0 ICADMO O=C(C[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC001560195652 1073287616 /nfs/dbraw/zinc/28/76/16/1073287616.db2.gz GLXUJETXIOUBCF-OAHLLOKOSA-N 1 1 432.477 0.459 20 0 ICADMO Cn1ncc2c1ncnc2N1CCN(C(=O)C[NH+]2CCC(CO)(C(F)(F)F)CC2)CC1 ZINC001560195741 1073287685 /nfs/dbraw/zinc/28/76/85/1073287685.db2.gz IMKGXIKTFLJOQR-UHFFFAOYSA-N 1 1 441.458 0.649 20 0 ICADMO COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC001560198262 1073288095 /nfs/dbraw/zinc/28/80/95/1073288095.db2.gz NYOAXLUGNUAYME-INIZCTEOSA-N 1 1 440.566 0.743 20 0 ICADMO COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC001560198263 1073288290 /nfs/dbraw/zinc/28/82/90/1073288290.db2.gz NYOAXLUGNUAYME-MRXNPFEDSA-N 1 1 440.566 0.743 20 0 ICADMO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001560198987 1073288217 /nfs/dbraw/zinc/28/82/17/1073288217.db2.gz IFNRBHSVMVSZMJ-LPTQZCDUSA-N 1 1 437.562 0.459 20 0 ICADMO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001560198987 1073288211 /nfs/dbraw/zinc/28/82/11/1073288211.db2.gz IFNRBHSVMVSZMJ-LPTQZCDUSA-N 1 1 437.562 0.459 20 0 ICADMO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001560198988 1073288178 /nfs/dbraw/zinc/28/81/78/1073288178.db2.gz IFNRBHSVMVSZMJ-ONGXBYRLSA-N 1 1 437.562 0.459 20 0 ICADMO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001560198988 1073288174 /nfs/dbraw/zinc/28/81/74/1073288174.db2.gz IFNRBHSVMVSZMJ-ONGXBYRLSA-N 1 1 437.562 0.459 20 0 ICADMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3CC[N@H+]4C[C@@H](F)C[C@H]4C3)CC2)cc1 ZINC001560201754 1073289002 /nfs/dbraw/zinc/28/90/02/1073289002.db2.gz WOPPOBCHDOPZQL-FHWLQOOXSA-N 1 1 438.569 0.944 20 0 ICADMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3CC[N@@H+]4C[C@@H](F)C[C@H]4C3)CC2)cc1 ZINC001560201754 1073288997 /nfs/dbraw/zinc/28/89/97/1073288997.db2.gz WOPPOBCHDOPZQL-FHWLQOOXSA-N 1 1 438.569 0.944 20 0 ICADMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N3CC[N@H+]4C[C@@H](F)C[C@H]4C3)CC2)cc1 ZINC001560201755 1073288672 /nfs/dbraw/zinc/28/86/72/1073288672.db2.gz WOPPOBCHDOPZQL-QYZOEREBSA-N 1 1 438.569 0.944 20 0 ICADMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N3CC[N@@H+]4C[C@@H](F)C[C@H]4C3)CC2)cc1 ZINC001560201755 1073288658 /nfs/dbraw/zinc/28/86/58/1073288658.db2.gz WOPPOBCHDOPZQL-QYZOEREBSA-N 1 1 438.569 0.944 20 0 ICADMO O=C(C[N@H+]1CC[C@H](Nc2ncccn2)C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001560205937 1073288727 /nfs/dbraw/zinc/28/87/27/1073288727.db2.gz KYJZMPWOVSAQQR-IBGZPJMESA-N 1 1 444.561 0.637 20 0 ICADMO O=C(C[N@@H+]1CC[C@H](Nc2ncccn2)C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001560205937 1073288713 /nfs/dbraw/zinc/28/87/13/1073288713.db2.gz KYJZMPWOVSAQQR-IBGZPJMESA-N 1 1 444.561 0.637 20 0 ICADMO O=C(C[N@H+]1CC[C@@H](Nc2ncccn2)C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001560205938 1073289016 /nfs/dbraw/zinc/28/90/16/1073289016.db2.gz KYJZMPWOVSAQQR-LJQANCHMSA-N 1 1 444.561 0.637 20 0 ICADMO O=C(C[N@@H+]1CC[C@@H](Nc2ncccn2)C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001560205938 1073289014 /nfs/dbraw/zinc/28/90/14/1073289014.db2.gz KYJZMPWOVSAQQR-LJQANCHMSA-N 1 1 444.561 0.637 20 0 ICADMO O=C(C[N@H+]1CC[C@H](Nc2ncccn2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001560206401 1073289026 /nfs/dbraw/zinc/28/90/26/1073289026.db2.gz XADGDIPWTCSOIO-KRWDZBQOSA-N 1 1 430.534 0.496 20 0 ICADMO O=C(C[N@@H+]1CC[C@H](Nc2ncccn2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001560206401 1073289024 /nfs/dbraw/zinc/28/90/24/1073289024.db2.gz XADGDIPWTCSOIO-KRWDZBQOSA-N 1 1 430.534 0.496 20 0 ICADMO 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C[N@H+]1CCCC[C@H](CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001561754723 1073369272 /nfs/dbraw/zinc/36/92/72/1073369272.db2.gz ISSUXRHMAFMLFT-MRXNPFEDSA-N 1 1 431.580 0.718 20 0 ICADMO COC(=O)c1ccc(Br)c(S(=O)(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC001561763364 1073370908 /nfs/dbraw/zinc/37/09/08/1073370908.db2.gz GIROMNWGLKMNJS-ZDUSSCGKSA-N 1 1 448.339 0.854 20 0 ICADMO COC(=O)c1ccc(Br)c(S(=O)(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC001561763364 1073370894 /nfs/dbraw/zinc/37/08/94/1073370894.db2.gz GIROMNWGLKMNJS-ZDUSSCGKSA-N 1 1 448.339 0.854 20 0 ICADMO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC001561768820 1073372417 /nfs/dbraw/zinc/37/24/17/1073372417.db2.gz MWZZNPGWNKRSDD-KRWDZBQOSA-N 1 1 445.607 0.937 20 0 ICADMO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC001561768821 1073372543 /nfs/dbraw/zinc/37/25/43/1073372543.db2.gz MWZZNPGWNKRSDD-QGZVFWFLSA-N 1 1 445.607 0.937 20 0 ICADMO 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CO[C@@H](Cc1ccccc1)CS(=O)(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001561868428 1073389146 /nfs/dbraw/zinc/38/91/46/1073389146.db2.gz CTWNVBPJKGOWCS-RTWAWAEBSA-N 1 1 425.595 0.960 20 0 ICADMO CO[C@@H](Cc1ccccc1)CS(=O)(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001561868429 1073389032 /nfs/dbraw/zinc/38/90/32/1073389032.db2.gz CTWNVBPJKGOWCS-SFTDATJTSA-N 1 1 425.595 0.960 20 0 ICADMO CO[C@@H](Cc1ccccc1)CS(=O)(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001561868429 1073389027 /nfs/dbraw/zinc/38/90/27/1073389027.db2.gz CTWNVBPJKGOWCS-SFTDATJTSA-N 1 1 425.595 0.960 20 0 ICADMO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc1OC ZINC001561868684 1073389126 /nfs/dbraw/zinc/38/91/26/1073389126.db2.gz HDPXRJBFSLQMKL-INIZCTEOSA-N 1 1 441.550 0.557 20 0 ICADMO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1OC ZINC001561868684 1073389122 /nfs/dbraw/zinc/38/91/22/1073389122.db2.gz HDPXRJBFSLQMKL-INIZCTEOSA-N 1 1 441.550 0.557 20 0 ICADMO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc1OC ZINC001561868685 1073388967 /nfs/dbraw/zinc/38/89/67/1073388967.db2.gz HDPXRJBFSLQMKL-MRXNPFEDSA-N 1 1 441.550 0.557 20 0 ICADMO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1OC ZINC001561868685 1073388961 /nfs/dbraw/zinc/38/89/61/1073388961.db2.gz HDPXRJBFSLQMKL-MRXNPFEDSA-N 1 1 441.550 0.557 20 0 ICADMO O=S(=O)(C[C@@H]1CC[C@H](C(F)(F)F)O1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001561868841 1073389051 /nfs/dbraw/zinc/38/90/51/1073389051.db2.gz IRLGMMHKGIHXES-HRCADAONSA-N 1 1 429.505 0.812 20 0 ICADMO O=S(=O)(C[C@@H]1CC[C@H](C(F)(F)F)O1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001561868841 1073389047 /nfs/dbraw/zinc/38/90/47/1073389047.db2.gz IRLGMMHKGIHXES-HRCADAONSA-N 1 1 429.505 0.812 20 0 ICADMO O=S(=O)(C[C@@H]1CC[C@@H](C(F)(F)F)O1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001561868842 1073388948 /nfs/dbraw/zinc/38/89/48/1073388948.db2.gz IRLGMMHKGIHXES-JYJNAYRXSA-N 1 1 429.505 0.812 20 0 ICADMO O=S(=O)(C[C@@H]1CC[C@@H](C(F)(F)F)O1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001561868842 1073388942 /nfs/dbraw/zinc/38/89/42/1073388942.db2.gz IRLGMMHKGIHXES-JYJNAYRXSA-N 1 1 429.505 0.812 20 0 ICADMO O=S(=O)(C[C@@H]1CC[C@H](C(F)(F)F)O1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001561868843 1073389437 /nfs/dbraw/zinc/38/94/37/1073389437.db2.gz IRLGMMHKGIHXES-OWCLPIDISA-N 1 1 429.505 0.812 20 0 ICADMO O=S(=O)(C[C@@H]1CC[C@H](C(F)(F)F)O1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001561868843 1073389426 /nfs/dbraw/zinc/38/94/26/1073389426.db2.gz IRLGMMHKGIHXES-OWCLPIDISA-N 1 1 429.505 0.812 20 0 ICADMO O=S(=O)(C[C@@H]1CC[C@@H](C(F)(F)F)O1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001561868844 1073389533 /nfs/dbraw/zinc/38/95/33/1073389533.db2.gz IRLGMMHKGIHXES-PMPSAXMXSA-N 1 1 429.505 0.812 20 0 ICADMO O=S(=O)(C[C@@H]1CC[C@@H](C(F)(F)F)O1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001561868844 1073389525 /nfs/dbraw/zinc/38/95/25/1073389525.db2.gz IRLGMMHKGIHXES-PMPSAXMXSA-N 1 1 429.505 0.812 20 0 ICADMO O=S(=O)(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1cnn(C2CCOCC2)c1 ZINC001561868959 1073389593 /nfs/dbraw/zinc/38/95/93/1073389593.db2.gz VVTSZKWTELFOLP-KRWDZBQOSA-N 1 1 427.571 0.310 20 0 ICADMO O=S(=O)(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1cnn(C2CCOCC2)c1 ZINC001561868959 1073389585 /nfs/dbraw/zinc/38/95/85/1073389585.db2.gz VVTSZKWTELFOLP-KRWDZBQOSA-N 1 1 427.571 0.310 20 0 ICADMO O=S(=O)(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1cnn(C2CCOCC2)c1 ZINC001561868963 1073389650 /nfs/dbraw/zinc/38/96/50/1073389650.db2.gz VVTSZKWTELFOLP-QGZVFWFLSA-N 1 1 427.571 0.310 20 0 ICADMO O=S(=O)(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1cnn(C2CCOCC2)c1 ZINC001561868963 1073389640 /nfs/dbraw/zinc/38/96/40/1073389640.db2.gz VVTSZKWTELFOLP-QGZVFWFLSA-N 1 1 427.571 0.310 20 0 ICADMO O=C1CCCN1c1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC001561869594 1073389507 /nfs/dbraw/zinc/38/95/07/1073389507.db2.gz WZYDCPFQXHXSAW-GOSISDBHSA-N 1 1 436.578 0.888 20 0 ICADMO O=C1CCCN1c1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1 ZINC001561869594 1073389498 /nfs/dbraw/zinc/38/94/98/1073389498.db2.gz WZYDCPFQXHXSAW-GOSISDBHSA-N 1 1 436.578 0.888 20 0 ICADMO O=C1CCCN1c1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC001561869595 1073389689 /nfs/dbraw/zinc/38/96/89/1073389689.db2.gz WZYDCPFQXHXSAW-SFHVURJKSA-N 1 1 436.578 0.888 20 0 ICADMO O=C1CCCN1c1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1 ZINC001561869595 1073389684 /nfs/dbraw/zinc/38/96/84/1073389684.db2.gz WZYDCPFQXHXSAW-SFHVURJKSA-N 1 1 436.578 0.888 20 0 ICADMO NC(=O)C1([NH+]2CCCCC2)CCN(S(=O)(=O)c2cnn(C3CCOCC3)c2)CC1 ZINC001561874676 1073389992 /nfs/dbraw/zinc/38/99/92/1073389992.db2.gz IGXCEKVFHWTSDH-UHFFFAOYSA-N 1 1 425.555 0.729 20 0 ICADMO CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1F ZINC001561875436 1073390601 /nfs/dbraw/zinc/39/06/01/1073390601.db2.gz WTMKZRADEIPBMM-UHFFFAOYSA-N 1 1 447.554 0.724 20 0 ICADMO Cn1cc(S(=O)(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c(Br)n1 ZINC001561875445 1073390581 /nfs/dbraw/zinc/39/05/81/1073390581.db2.gz WZBKUNPTHJKSCE-UHFFFAOYSA-N 1 1 434.360 0.677 20 0 ICADMO Cc1c(C(=O)N(C)C)occ1S(=O)(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001561875531 1073390612 /nfs/dbraw/zinc/39/06/12/1073390612.db2.gz ZALFVIHBQJMVOC-UHFFFAOYSA-N 1 1 426.539 0.784 20 0 ICADMO Cn1cc(S(=O)(=O)NCCCN2CCC[N@@H+](C)CC2)cc1C(=O)NCC(F)(F)F ZINC001561882618 1073391390 /nfs/dbraw/zinc/39/13/90/1073391390.db2.gz UWJZFFWPMGCYMQ-UHFFFAOYSA-N 1 1 439.504 0.623 20 0 ICADMO C[N@H+]1CCCN(CCCNS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC001561882687 1073391285 /nfs/dbraw/zinc/39/12/85/1073391285.db2.gz XJYIQGJXBSUNHE-UHFFFAOYSA-N 1 1 430.596 0.532 20 0 ICADMO C[N@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001561887042 1073392188 /nfs/dbraw/zinc/39/21/88/1073392188.db2.gz XPAPYQRHYXDYIR-MSOLQXFVSA-N 1 1 429.564 0.565 20 0 ICADMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001561887043 1073392397 /nfs/dbraw/zinc/39/23/97/1073392397.db2.gz XPAPYQRHYXDYIR-QZTJIDSGSA-N 1 1 429.564 0.565 20 0 ICADMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001561887044 1073392349 /nfs/dbraw/zinc/39/23/49/1073392349.db2.gz XPAPYQRHYXDYIR-ROUUACIJSA-N 1 1 429.564 0.565 20 0 ICADMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001561887045 1073392246 /nfs/dbraw/zinc/39/22/46/1073392246.db2.gz XPAPYQRHYXDYIR-ZWKOTPCHSA-N 1 1 429.564 0.565 20 0 ICADMO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)s1 ZINC001561893983 1073393521 /nfs/dbraw/zinc/39/35/21/1073393521.db2.gz KSEIPPBARVMKFI-UONOGXRCSA-N 1 1 437.609 0.060 20 0 ICADMO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)s1 ZINC001561893983 1073393513 /nfs/dbraw/zinc/39/35/13/1073393513.db2.gz KSEIPPBARVMKFI-UONOGXRCSA-N 1 1 437.609 0.060 20 0 ICADMO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC001561897397 1073394389 /nfs/dbraw/zinc/39/43/89/1073394389.db2.gz DNBUKOIHPVTDEE-UHFFFAOYSA-N 1 1 429.973 0.200 20 0 ICADMO CCC(=O)NCc1cc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](C)CC2)ccc1OC ZINC001561897894 1073394338 /nfs/dbraw/zinc/39/43/38/1073394338.db2.gz YZUANPJOVCJRGM-UHFFFAOYSA-N 1 1 426.539 0.116 20 0 ICADMO O=C(N1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001561900796 1073395128 /nfs/dbraw/zinc/39/51/28/1073395128.db2.gz HDBKZGPRSODCMM-UHFFFAOYSA-N 1 1 437.566 0.119 20 0 ICADMO C[NH+](C)C1(CS(=O)(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)CC1 ZINC001561900826 1073395048 /nfs/dbraw/zinc/39/50/48/1073395048.db2.gz ICZANDUTBXKNQS-UHFFFAOYSA-N 1 1 449.621 0.966 20 0 ICADMO C[N@@H+](Cc1ccccc1)C1(CNS(=O)(=O)CC2CN(S(C)(=O)=O)C2)CCOCC1 ZINC001561902747 1073396192 /nfs/dbraw/zinc/39/61/92/1073396192.db2.gz ZPNSYCAJUFWIDF-UHFFFAOYSA-N 1 1 445.607 0.478 20 0 ICADMO COC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[NH+](C)CC2)c(Br)c1 ZINC001561924798 1073399764 /nfs/dbraw/zinc/39/97/64/1073399764.db2.gz JMVIKPQNNNCRJI-UHFFFAOYSA-N 1 1 434.312 0.288 20 0 ICADMO CC(=O)Nc1cc(C)c(S(=O)(=O)NCC(=O)N2CC[NH+](C)CC2)cc1Br ZINC001561925227 1073399301 /nfs/dbraw/zinc/39/93/01/1073399301.db2.gz YMQYIGKHZYNJOR-UHFFFAOYSA-N 1 1 447.355 0.768 20 0 ICADMO COC(=O)c1ccc(Br)cc1S(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001561925754 1073399504 /nfs/dbraw/zinc/39/95/04/1073399504.db2.gz SEOBDRPVZKDAIO-UHFFFAOYSA-N 1 1 434.312 0.288 20 0 ICADMO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CC[NH+](C)CC2)cc1F ZINC001561925847 1073400261 /nfs/dbraw/zinc/40/02/61/1073400261.db2.gz XELSHXMLIIZSLV-UHFFFAOYSA-N 1 1 436.531 0.030 20 0 ICADMO Cn1nnc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)N3CC[NH+](C)CC3)ccc21 ZINC001561925946 1073399980 /nfs/dbraw/zinc/39/99/80/1073399980.db2.gz AREWPNVIXHWFCD-IBGZPJMESA-N 1 1 442.545 0.632 20 0 ICADMO Cn1nnc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)N3CC[NH+](C)CC3)ccc21 ZINC001561925947 1073400280 /nfs/dbraw/zinc/40/02/80/1073400280.db2.gz AREWPNVIXHWFCD-LJQANCHMSA-N 1 1 442.545 0.632 20 0 ICADMO COC(=O)c1ncccc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001561926051 1073399953 /nfs/dbraw/zinc/39/99/53/1073399953.db2.gz FAIWOFVXUGNSAJ-KRWDZBQOSA-N 1 1 446.529 0.532 20 0 ICADMO COC(=O)c1ncccc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001561926052 1073400067 /nfs/dbraw/zinc/40/00/67/1073400067.db2.gz FAIWOFVXUGNSAJ-QGZVFWFLSA-N 1 1 446.529 0.532 20 0 ICADMO COC(=O)C1(CS(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)CCC1 ZINC001561926218 1073400397 /nfs/dbraw/zinc/40/03/97/1073400397.db2.gz KWWNIDRTGHFIPG-GOSISDBHSA-N 1 1 437.562 0.634 20 0 ICADMO COC(=O)C1(CS(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)CCC1 ZINC001561926219 1073400105 /nfs/dbraw/zinc/40/01/05/1073400105.db2.gz KWWNIDRTGHFIPG-SFHVURJKSA-N 1 1 437.562 0.634 20 0 ICADMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)CCOCC(F)(F)F)CC1 ZINC001561926493 1073400342 /nfs/dbraw/zinc/40/03/42/1073400342.db2.gz VGBLVZYGGLSMNB-INIZCTEOSA-N 1 1 437.484 0.870 20 0 ICADMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)CCOCC(F)(F)F)CC1 ZINC001561926494 1073400359 /nfs/dbraw/zinc/40/03/59/1073400359.db2.gz VGBLVZYGGLSMNB-MRXNPFEDSA-N 1 1 437.484 0.870 20 0 ICADMO COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)C1 ZINC001561926695 1073400046 /nfs/dbraw/zinc/40/00/46/1073400046.db2.gz BBBBVFYVHBBMLL-CEXWTWQISA-N 1 1 437.562 0.633 20 0 ICADMO COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)C1 ZINC001561926696 1073400193 /nfs/dbraw/zinc/40/01/93/1073400193.db2.gz BBBBVFYVHBBMLL-QYZOEREBSA-N 1 1 437.562 0.633 20 0 ICADMO Cc1nn2cccnc2c1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001561926697 1073401062 /nfs/dbraw/zinc/40/10/62/1073401062.db2.gz BBFSXLHPNUUQMH-GOSISDBHSA-N 1 1 442.545 0.701 20 0 ICADMO Cc1nn2cccnc2c1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001561926698 1073400948 /nfs/dbraw/zinc/40/09/48/1073400948.db2.gz BBFSXLHPNUUQMH-SFHVURJKSA-N 1 1 442.545 0.701 20 0 ICADMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC001561926868 1073401078 /nfs/dbraw/zinc/40/10/78/1073401078.db2.gz HFYSTFNZBSWPRC-IBGZPJMESA-N 1 1 430.530 0.449 20 0 ICADMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC001561926869 1073400980 /nfs/dbraw/zinc/40/09/80/1073400980.db2.gz HFYSTFNZBSWPRC-LJQANCHMSA-N 1 1 430.530 0.449 20 0 ICADMO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)s1 ZINC001561947604 1073407344 /nfs/dbraw/zinc/40/73/44/1073407344.db2.gz CFVAGUHRTJQVSY-DZGCQCFKSA-N 1 1 438.641 0.143 20 0 ICADMO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)s1 ZINC001561947604 1073407329 /nfs/dbraw/zinc/40/73/29/1073407329.db2.gz CFVAGUHRTJQVSY-DZGCQCFKSA-N 1 1 438.641 0.143 20 0 ICADMO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)s1 ZINC001561947605 1073406929 /nfs/dbraw/zinc/40/69/29/1073406929.db2.gz CFVAGUHRTJQVSY-HIFRSBDPSA-N 1 1 438.641 0.143 20 0 ICADMO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)s1 ZINC001561947605 1073406916 /nfs/dbraw/zinc/40/69/16/1073406916.db2.gz CFVAGUHRTJQVSY-HIFRSBDPSA-N 1 1 438.641 0.143 20 0 ICADMO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)s1 ZINC001561947606 1073406828 /nfs/dbraw/zinc/40/68/28/1073406828.db2.gz CFVAGUHRTJQVSY-UKRRQHHQSA-N 1 1 438.641 0.143 20 0 ICADMO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)s1 ZINC001561947606 1073406814 /nfs/dbraw/zinc/40/68/14/1073406814.db2.gz CFVAGUHRTJQVSY-UKRRQHHQSA-N 1 1 438.641 0.143 20 0 ICADMO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)s1 ZINC001561947607 1073407198 /nfs/dbraw/zinc/40/71/98/1073407198.db2.gz CFVAGUHRTJQVSY-ZFWWWQNUSA-N 1 1 438.641 0.143 20 0 ICADMO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)s1 ZINC001561947607 1073407188 /nfs/dbraw/zinc/40/71/88/1073407188.db2.gz CFVAGUHRTJQVSY-ZFWWWQNUSA-N 1 1 438.641 0.143 20 0 ICADMO Cc1cc(C)c(S(=O)(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c(C)c1NS(C)(=O)=O ZINC001561947713 1073407173 /nfs/dbraw/zinc/40/71/73/1073407173.db2.gz GKYQNGAIKNZZRT-CVEARBPZSA-N 1 1 432.612 0.896 20 0 ICADMO Cc1cc(C)c(S(=O)(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c(C)c1NS(C)(=O)=O ZINC001561947713 1073407165 /nfs/dbraw/zinc/40/71/65/1073407165.db2.gz GKYQNGAIKNZZRT-CVEARBPZSA-N 1 1 432.612 0.896 20 0 ICADMO Cc1cc(C)c(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)c(C)c1NS(C)(=O)=O ZINC001561947714 1073407141 /nfs/dbraw/zinc/40/71/41/1073407141.db2.gz GKYQNGAIKNZZRT-HOTGVXAUSA-N 1 1 432.612 0.896 20 0 ICADMO Cc1cc(C)c(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c(C)c1NS(C)(=O)=O ZINC001561947714 1073407134 /nfs/dbraw/zinc/40/71/34/1073407134.db2.gz GKYQNGAIKNZZRT-HOTGVXAUSA-N 1 1 432.612 0.896 20 0 ICADMO Cc1cc(C)c(S(=O)(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c(C)c1NS(C)(=O)=O ZINC001561947715 1073406875 /nfs/dbraw/zinc/40/68/75/1073406875.db2.gz GKYQNGAIKNZZRT-HZPDHXFCSA-N 1 1 432.612 0.896 20 0 ICADMO Cc1cc(C)c(S(=O)(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c(C)c1NS(C)(=O)=O ZINC001561947715 1073406867 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JGLWIZITRPRLLB-DLBZAZTESA-N 1 1 433.571 0.795 20 0 ICADMO CC(C)(C)OC(=O)N1CCO[C@@H](CS(=O)(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC001561959060 1073410374 /nfs/dbraw/zinc/41/03/74/1073410374.db2.gz JGLWIZITRPRLLB-IAGOWNOFSA-N 1 1 433.571 0.795 20 0 ICADMO CC(C)(C)OC(=O)N1CCO[C@H](CS(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC001561959061 1073410668 /nfs/dbraw/zinc/41/06/68/1073410668.db2.gz JGLWIZITRPRLLB-IRXDYDNUSA-N 1 1 433.571 0.795 20 0 ICADMO CC(C)(C)OC(=O)N1CCO[C@H](CS(=O)(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC001561959062 1073410603 /nfs/dbraw/zinc/41/06/03/1073410603.db2.gz JGLWIZITRPRLLB-SJORKVTESA-N 1 1 433.571 0.795 20 0 ICADMO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)cc1C(=O)OC ZINC001561960266 1073410573 /nfs/dbraw/zinc/41/05/73/1073410573.db2.gz UYKWUHBIHTVGFJ-AWEZNQCLSA-N 1 1 426.491 0.791 20 0 ICADMO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1C(=O)OC ZINC001561960266 1073410562 /nfs/dbraw/zinc/41/05/62/1073410562.db2.gz UYKWUHBIHTVGFJ-AWEZNQCLSA-N 1 1 426.491 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NC(=O)c1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC001561995889 1073420550 /nfs/dbraw/zinc/42/05/50/1073420550.db2.gz BWBFSTHANTZTQG-CABCVRRESA-N 1 1 432.340 0.768 20 0 ICADMO NC(=O)c1cc(Br)cc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC001561995890 1073420579 /nfs/dbraw/zinc/42/05/79/1073420579.db2.gz BWBFSTHANTZTQG-GJZGRUSLSA-N 1 1 432.340 0.768 20 0 ICADMO NC(=O)c1cc(Br)cc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC001561995890 1073420575 /nfs/dbraw/zinc/42/05/75/1073420575.db2.gz BWBFSTHANTZTQG-GJZGRUSLSA-N 1 1 432.340 0.768 20 0 ICADMO NC(=O)c1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC001561995891 1073420654 /nfs/dbraw/zinc/42/06/54/1073420654.db2.gz BWBFSTHANTZTQG-HUUCEWRRSA-N 1 1 432.340 0.768 20 0 ICADMO NC(=O)c1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC001561995891 1073420649 /nfs/dbraw/zinc/42/06/49/1073420649.db2.gz BWBFSTHANTZTQG-HUUCEWRRSA-N 1 1 432.340 0.768 20 0 ICADMO NC(=O)c1cc(Br)cc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC001561995892 1073420599 /nfs/dbraw/zinc/42/05/99/1073420599.db2.gz BWBFSTHANTZTQG-LSDHHAIUSA-N 1 1 432.340 0.768 20 0 ICADMO NC(=O)c1cc(Br)cc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC001561995892 1073420594 /nfs/dbraw/zinc/42/05/94/1073420594.db2.gz BWBFSTHANTZTQG-LSDHHAIUSA-N 1 1 432.340 0.768 20 0 ICADMO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1 ZINC001561995894 1073420471 /nfs/dbraw/zinc/42/04/71/1073420471.db2.gz CAOJLWAAYBGKDT-MOPGFXCFSA-N 1 1 446.591 0.720 20 0 ICADMO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1 ZINC001561995894 1073420468 /nfs/dbraw/zinc/42/04/68/1073420468.db2.gz CAOJLWAAYBGKDT-MOPGFXCFSA-N 1 1 446.591 0.720 20 0 ICADMO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1 ZINC001561995895 1073420623 /nfs/dbraw/zinc/42/06/23/1073420623.db2.gz CAOJLWAAYBGKDT-OALUTQOASA-N 1 1 446.591 0.720 20 0 ICADMO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1 ZINC001561995895 1073420618 /nfs/dbraw/zinc/42/06/18/1073420618.db2.gz CAOJLWAAYBGKDT-OALUTQOASA-N 1 1 446.591 0.720 20 0 ICADMO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1 ZINC001561995896 1073420679 /nfs/dbraw/zinc/42/06/79/1073420679.db2.gz CAOJLWAAYBGKDT-RBUKOAKNSA-N 1 1 446.591 0.720 20 0 ICADMO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1 ZINC001561995896 1073420675 /nfs/dbraw/zinc/42/06/75/1073420675.db2.gz CAOJLWAAYBGKDT-RBUKOAKNSA-N 1 1 446.591 0.720 20 0 ICADMO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1 ZINC001561995897 1073420503 /nfs/dbraw/zinc/42/05/03/1073420503.db2.gz CAOJLWAAYBGKDT-RTBURBONSA-N 1 1 446.591 0.720 20 0 ICADMO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1 ZINC001561995897 1073420499 /nfs/dbraw/zinc/42/04/99/1073420499.db2.gz CAOJLWAAYBGKDT-RTBURBONSA-N 1 1 446.591 0.720 20 0 ICADMO O=S(=O)(c1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1)N1CCCC1 ZINC001561996327 1073420610 /nfs/dbraw/zinc/42/06/10/1073420610.db2.gz QPKXTHBWFGZPRT-MOPGFXCFSA-N 1 1 443.591 0.691 20 0 ICADMO O=S(=O)(c1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1)N1CCCC1 ZINC001561996327 1073420607 /nfs/dbraw/zinc/42/06/07/1073420607.db2.gz QPKXTHBWFGZPRT-MOPGFXCFSA-N 1 1 443.591 0.691 20 0 ICADMO O=S(=O)(c1ccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1)N1CCCC1 ZINC001561996328 1073420521 /nfs/dbraw/zinc/42/05/21/1073420521.db2.gz QPKXTHBWFGZPRT-OALUTQOASA-N 1 1 443.591 0.691 20 0 ICADMO O=S(=O)(c1ccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1)N1CCCC1 ZINC001561996328 1073420518 /nfs/dbraw/zinc/42/05/18/1073420518.db2.gz QPKXTHBWFGZPRT-OALUTQOASA-N 1 1 443.591 0.691 20 0 ICADMO O=S(=O)(c1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1)N1CCCC1 ZINC001561996329 1073420664 /nfs/dbraw/zinc/42/06/64/1073420664.db2.gz QPKXTHBWFGZPRT-RBUKOAKNSA-N 1 1 443.591 0.691 20 0 ICADMO O=S(=O)(c1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1)N1CCCC1 ZINC001561996329 1073420661 /nfs/dbraw/zinc/42/06/61/1073420661.db2.gz QPKXTHBWFGZPRT-RBUKOAKNSA-N 1 1 443.591 0.691 20 0 ICADMO O=S(=O)(c1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1)N1CCCC1 ZINC001561996330 1073420640 /nfs/dbraw/zinc/42/06/40/1073420640.db2.gz QPKXTHBWFGZPRT-RTBURBONSA-N 1 1 443.591 0.691 20 0 ICADMO O=S(=O)(c1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1)N1CCCC1 ZINC001561996330 1073420636 /nfs/dbraw/zinc/42/06/36/1073420636.db2.gz QPKXTHBWFGZPRT-RTBURBONSA-N 1 1 443.591 0.691 20 0 ICADMO CC[N@@H+](C)[C@H]1CCN(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 ZINC001562037558 1073430647 /nfs/dbraw/zinc/43/06/47/1073430647.db2.gz RSOOXTRYDSKHHJ-INIZCTEOSA-N 1 1 431.580 0.731 20 0 ICADMO CC[N@@H+](C)[C@@H]1CCN(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 ZINC001562037562 1073430688 /nfs/dbraw/zinc/43/06/88/1073430688.db2.gz RSOOXTRYDSKHHJ-MRXNPFEDSA-N 1 1 431.580 0.731 20 0 ICADMO CN1CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC[N@@H+](C)CC1 ZINC001562047166 1073431878 /nfs/dbraw/zinc/43/18/78/1073431878.db2.gz QUTUHOXOPKPPBK-UHFFFAOYSA-N 1 1 425.555 0.419 20 0 ICADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC001562050749 1073432801 /nfs/dbraw/zinc/43/28/01/1073432801.db2.gz DCIGVOWZHYNQRM-AWEZNQCLSA-N 1 1 446.957 0.891 20 0 ICADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC001562050749 1073432790 /nfs/dbraw/zinc/43/27/90/1073432790.db2.gz DCIGVOWZHYNQRM-AWEZNQCLSA-N 1 1 446.957 0.891 20 0 ICADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC001562050750 1073432762 /nfs/dbraw/zinc/43/27/62/1073432762.db2.gz DCIGVOWZHYNQRM-CQSZACIVSA-N 1 1 446.957 0.891 20 0 ICADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC001562050750 1073432755 /nfs/dbraw/zinc/43/27/55/1073432755.db2.gz DCIGVOWZHYNQRM-CQSZACIVSA-N 1 1 446.957 0.891 20 0 ICADMO CN(C)S(=O)(=O)c1cccc(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)c1 ZINC001562052442 1073432580 /nfs/dbraw/zinc/43/25/80/1073432580.db2.gz QVJPJZGDSSEVKT-UHFFFAOYSA-N 1 1 426.539 0.940 20 0 ICADMO C[C@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C)[C@H]1CN(C)CC[N@H+]1C ZINC001562065092 1073433616 /nfs/dbraw/zinc/43/36/16/1073433616.db2.gz JDSUFAXASYVWKK-KBXCAEBGSA-N 1 1 426.587 0.759 20 0 ICADMO C[C@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C)[C@H]1CN(C)CC[N@@H+]1C ZINC001562065092 1073433612 /nfs/dbraw/zinc/43/36/12/1073433612.db2.gz JDSUFAXASYVWKK-KBXCAEBGSA-N 1 1 426.587 0.759 20 0 ICADMO C[C@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C)[C@H]1C[N@@H+](C)CCN1C ZINC001562065092 1073433602 /nfs/dbraw/zinc/43/36/02/1073433602.db2.gz JDSUFAXASYVWKK-KBXCAEBGSA-N 1 1 426.587 0.759 20 0 ICADMO C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C)[C@@H]1CN(C)CC[N@H+]1C ZINC001562065093 1073433234 /nfs/dbraw/zinc/43/32/34/1073433234.db2.gz JDSUFAXASYVWKK-KDOFPFPSSA-N 1 1 426.587 0.759 20 0 ICADMO C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001562065093 1073433227 /nfs/dbraw/zinc/43/32/27/1073433227.db2.gz JDSUFAXASYVWKK-KDOFPFPSSA-N 1 1 426.587 0.759 20 0 ICADMO C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C)[C@@H]1C[N@@H+](C)CCN1C ZINC001562065093 1073433212 /nfs/dbraw/zinc/43/32/12/1073433212.db2.gz JDSUFAXASYVWKK-KDOFPFPSSA-N 1 1 426.587 0.759 20 0 ICADMO C[C@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C)[C@@H]1CN(C)CC[N@H+]1C ZINC001562065094 1073433283 /nfs/dbraw/zinc/43/32/83/1073433283.db2.gz JDSUFAXASYVWKK-KSSFIOAISA-N 1 1 426.587 0.759 20 0 ICADMO C[C@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001562065094 1073433277 /nfs/dbraw/zinc/43/32/77/1073433277.db2.gz JDSUFAXASYVWKK-KSSFIOAISA-N 1 1 426.587 0.759 20 0 ICADMO C[C@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C)[C@@H]1C[N@@H+](C)CCN1C ZINC001562065094 1073433263 /nfs/dbraw/zinc/43/32/63/1073433263.db2.gz JDSUFAXASYVWKK-KSSFIOAISA-N 1 1 426.587 0.759 20 0 ICADMO C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C)[C@H]1CN(C)CC[N@H+]1C ZINC001562065095 1073433503 /nfs/dbraw/zinc/43/35/03/1073433503.db2.gz JDSUFAXASYVWKK-RDTXWAMCSA-N 1 1 426.587 0.759 20 0 ICADMO C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C)[C@H]1CN(C)CC[N@@H+]1C ZINC001562065095 1073433496 /nfs/dbraw/zinc/43/34/96/1073433496.db2.gz JDSUFAXASYVWKK-RDTXWAMCSA-N 1 1 426.587 0.759 20 0 ICADMO C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C)[C@H]1C[N@@H+](C)CCN1C ZINC001562065095 1073433476 /nfs/dbraw/zinc/43/34/76/1073433476.db2.gz JDSUFAXASYVWKK-RDTXWAMCSA-N 1 1 426.587 0.759 20 0 ICADMO C[C@@H]1CN(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)C[C@H](C)[N@@H+]1CCO ZINC001562065110 1073433397 /nfs/dbraw/zinc/43/33/97/1073433397.db2.gz JWIBHGQKGFXHST-GASCZTMLSA-N 1 1 427.571 0.922 20 0 ICADMO C[C@@H]1CN(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)C[C@H](C)[N@H+]1CCO ZINC001562065110 1073433386 /nfs/dbraw/zinc/43/33/86/1073433386.db2.gz JWIBHGQKGFXHST-GASCZTMLSA-N 1 1 427.571 0.922 20 0 ICADMO C[C@@H]1CN(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)[C@@H](C)C[N@H+]1CCO ZINC001562065202 1073433543 /nfs/dbraw/zinc/43/35/43/1073433543.db2.gz NAZVGICQWPHODK-CABCVRRESA-N 1 1 427.571 0.922 20 0 ICADMO C[C@@H]1CN(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)[C@@H](C)C[N@@H+]1CCO ZINC001562065202 1073433530 /nfs/dbraw/zinc/43/35/30/1073433530.db2.gz NAZVGICQWPHODK-CABCVRRESA-N 1 1 427.571 0.922 20 0 ICADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C ZINC001562065203 1073433332 /nfs/dbraw/zinc/43/33/32/1073433332.db2.gz NAZVGICQWPHODK-GJZGRUSLSA-N 1 1 427.571 0.922 20 0 ICADMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C ZINC001562065203 1073433317 /nfs/dbraw/zinc/43/33/17/1073433317.db2.gz NAZVGICQWPHODK-GJZGRUSLSA-N 1 1 427.571 0.922 20 0 ICADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C ZINC001562065204 1073433194 /nfs/dbraw/zinc/43/31/94/1073433194.db2.gz NAZVGICQWPHODK-HUUCEWRRSA-N 1 1 427.571 0.922 20 0 ICADMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C ZINC001562065204 1073433186 /nfs/dbraw/zinc/43/31/86/1073433186.db2.gz NAZVGICQWPHODK-HUUCEWRRSA-N 1 1 427.571 0.922 20 0 ICADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C ZINC001562065205 1073433579 /nfs/dbraw/zinc/43/35/79/1073433579.db2.gz NAZVGICQWPHODK-LSDHHAIUSA-N 1 1 427.571 0.922 20 0 ICADMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C ZINC001562065205 1073433565 /nfs/dbraw/zinc/43/35/65/1073433565.db2.gz NAZVGICQWPHODK-LSDHHAIUSA-N 1 1 427.571 0.922 20 0 ICADMO CC[N@@H+](C)[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C1 ZINC001562066395 1073434309 /nfs/dbraw/zinc/43/43/09/1073434309.db2.gz DUSMYJAEWNTNBL-CVEARBPZSA-N 1 1 444.579 0.710 20 0 ICADMO CC[N@@H+](C)[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)C1 ZINC001562066396 1073434369 /nfs/dbraw/zinc/43/43/69/1073434369.db2.gz DUSMYJAEWNTNBL-HOTGVXAUSA-N 1 1 444.579 0.710 20 0 ICADMO CC[N@@H+](C)[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C1 ZINC001562066397 1073434453 /nfs/dbraw/zinc/43/44/53/1073434453.db2.gz DUSMYJAEWNTNBL-HZPDHXFCSA-N 1 1 444.579 0.710 20 0 ICADMO CC[N@@H+](C)[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)C1 ZINC001562066398 1073434330 /nfs/dbraw/zinc/43/43/30/1073434330.db2.gz DUSMYJAEWNTNBL-JKSUJKDBSA-N 1 1 444.579 0.710 20 0 ICADMO CC(C)NS(=O)(=O)c1ccc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)cc1 ZINC001562070142 1073435048 /nfs/dbraw/zinc/43/50/48/1073435048.db2.gz FGMHJRYOAUGXQA-QFBILLFUSA-N 1 1 426.539 0.721 20 0 ICADMO CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NCC[N@@H+](C)CCO ZINC001562081853 1073437043 /nfs/dbraw/zinc/43/70/43/1073437043.db2.gz JDWRVNKPJOEGAX-UHFFFAOYSA-N 1 1 430.527 0.152 20 0 ICADMO COCC(COC)[NH+]1CCN(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CC1 ZINC001562177881 1073442075 /nfs/dbraw/zinc/44/20/75/1073442075.db2.gz NSTXYUKLZILNCW-UHFFFAOYSA-N 1 1 434.537 0.899 20 0 ICADMO O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001562224381 1073443633 /nfs/dbraw/zinc/44/36/33/1073443633.db2.gz DTZBJQVWRRQKMY-LSDHHAIUSA-N 1 1 428.486 0.129 20 0 ICADMO C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)C[C@H](C)[N@@H+]1CCO ZINC001562251733 1073445593 /nfs/dbraw/zinc/44/55/93/1073445593.db2.gz GGGDJFNMSQJBNZ-CALCHBBNSA-N 1 1 439.582 0.542 20 0 ICADMO C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)C[C@H](C)[N@H+]1CCO ZINC001562251733 1073445586 /nfs/dbraw/zinc/44/55/86/1073445586.db2.gz GGGDJFNMSQJBNZ-CALCHBBNSA-N 1 1 439.582 0.542 20 0 ICADMO CNS(=O)(=O)CCCNC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC001562279576 1073446178 /nfs/dbraw/zinc/44/61/78/1073446178.db2.gz RSABPXFQZSYYBX-UHFFFAOYSA-N 1 1 427.527 0.144 20 0 ICADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NCCCCS(N)(=O)=O ZINC001562279584 1073446268 /nfs/dbraw/zinc/44/62/68/1073446268.db2.gz SCPQNSCSSOUMDP-UHFFFAOYSA-N 1 1 427.527 0.273 20 0 ICADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NC[C@@]1(OCCO)CCOC1 ZINC001562279610 1073446367 /nfs/dbraw/zinc/44/63/67/1073446367.db2.gz SNMHVGMKACPSBC-NRFANRHFSA-N 1 1 436.509 0.372 20 0 ICADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NC[C@]1(OCCO)CCOC1 ZINC001562279611 1073446194 /nfs/dbraw/zinc/44/61/94/1073446194.db2.gz SNMHVGMKACPSBC-OAQYLSRUSA-N 1 1 436.509 0.372 20 0 ICADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NCC(=O)N=S(C)(C)=O ZINC001562279653 1073446235 /nfs/dbraw/zinc/44/62/35/1073446235.db2.gz UNEARKNDLGCVOP-UHFFFAOYSA-N 1 1 425.511 0.459 20 0 ICADMO COC(=O)[C@]1(OC)CCN(C(=O)Nc2cc(C(=O)N3CC[NH+](C)CC3)ccc2OC)C1 ZINC001562279752 1073446373 /nfs/dbraw/zinc/44/63/73/1073446373.db2.gz XTOUKCNDQPGPHQ-NRFANRHFSA-N 1 1 434.493 0.879 20 0 ICADMO COC(=O)[C@@]1(OC)CCN(C(=O)Nc2cc(C(=O)N3CC[NH+](C)CC3)ccc2OC)C1 ZINC001562279753 1073446226 /nfs/dbraw/zinc/44/62/26/1073446226.db2.gz XTOUKCNDQPGPHQ-OAQYLSRUSA-N 1 1 434.493 0.879 20 0 ICADMO COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001562280753 1073446394 /nfs/dbraw/zinc/44/63/94/1073446394.db2.gz GUAIDPZEDRUKDX-UHFFFAOYSA-N 1 1 432.569 0.794 20 0 ICADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NCC(C)(C)CS(N)(=O)=O)cc2)CC1 ZINC001562293007 1073446962 /nfs/dbraw/zinc/44/69/62/1073446962.db2.gz CAYYYRNAXJGGEK-UHFFFAOYSA-N 1 1 425.555 0.901 20 0 ICADMO C[C@H](O)C[NH+]1CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)CC1 ZINC001562326112 1073447492 /nfs/dbraw/zinc/44/74/92/1073447492.db2.gz BVHLPFPWSPURKG-KRWDZBQOSA-N 1 1 439.582 0.543 20 0 ICADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CC[C@@H](O)[C@@H](CO)C3)c2)CC1 ZINC001562326311 1073448406 /nfs/dbraw/zinc/44/84/06/1073448406.db2.gz JBFVZWHQCDIUPQ-CRAIPNDOSA-N 1 1 426.539 0.220 20 0 ICADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CC[C@@H](O)[C@@H](CO)C3)c2)CC1 ZINC001562326311 1073448399 /nfs/dbraw/zinc/44/83/99/1073448399.db2.gz JBFVZWHQCDIUPQ-CRAIPNDOSA-N 1 1 426.539 0.220 20 0 ICADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CC[C@@H](O)[C@H](CO)C3)c2)CC1 ZINC001562326312 1073448326 /nfs/dbraw/zinc/44/83/26/1073448326.db2.gz JBFVZWHQCDIUPQ-MAUKXSAKSA-N 1 1 426.539 0.220 20 0 ICADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CC[C@@H](O)[C@H](CO)C3)c2)CC1 ZINC001562326312 1073448318 /nfs/dbraw/zinc/44/83/18/1073448318.db2.gz JBFVZWHQCDIUPQ-MAUKXSAKSA-N 1 1 426.539 0.220 20 0 ICADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CC[C@H](O)[C@@H](CO)C3)c2)CC1 ZINC001562326313 1073448477 /nfs/dbraw/zinc/44/84/77/1073448477.db2.gz JBFVZWHQCDIUPQ-QAPCUYQASA-N 1 1 426.539 0.220 20 0 ICADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CC[C@H](O)[C@@H](CO)C3)c2)CC1 ZINC001562326313 1073448467 /nfs/dbraw/zinc/44/84/67/1073448467.db2.gz JBFVZWHQCDIUPQ-QAPCUYQASA-N 1 1 426.539 0.220 20 0 ICADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CC[C@H](O)[C@H](CO)C3)c2)CC1 ZINC001562326314 1073448585 /nfs/dbraw/zinc/44/85/85/1073448585.db2.gz JBFVZWHQCDIUPQ-YJBOKZPZSA-N 1 1 426.539 0.220 20 0 ICADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CC[C@H](O)[C@H](CO)C3)c2)CC1 ZINC001562326314 1073448576 /nfs/dbraw/zinc/44/85/76/1073448576.db2.gz JBFVZWHQCDIUPQ-YJBOKZPZSA-N 1 1 426.539 0.220 20 0 ICADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)NCC3N=NC(=O)N3C3CC3)c2)CC1 ZINC001562326414 1073448300 /nfs/dbraw/zinc/44/83/00/1073448300.db2.gz MNDZYJFGMWRMAG-UHFFFAOYSA-N 1 1 449.537 0.967 20 0 ICADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)NCC3N=NC(=O)N3C3CC3)c2)CC1 ZINC001562326414 1073448283 /nfs/dbraw/zinc/44/82/83/1073448283.db2.gz MNDZYJFGMWRMAG-UHFFFAOYSA-N 1 1 449.537 0.967 20 0 ICADMO CN1CCCN(S(=O)(=O)c2cccc(NC(=O)NCC[N@H+]3CC[C@H](O)C3)c2)CC1 ZINC001562326496 1073448729 /nfs/dbraw/zinc/44/87/29/1073448729.db2.gz PGXXGOYONUWWKO-KRWDZBQOSA-N 1 1 425.555 0.201 20 0 ICADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)NCCCCS(C)(=O)=O)c2)CC1 ZINC001562326552 1073448374 /nfs/dbraw/zinc/44/83/74/1073448374.db2.gz RVMHFZPJGMQTMW-UHFFFAOYSA-N 1 1 446.595 0.959 20 0 ICADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)NCCCCS(C)(=O)=O)c2)CC1 ZINC001562326552 1073448370 /nfs/dbraw/zinc/44/83/70/1073448370.db2.gz RVMHFZPJGMQTMW-UHFFFAOYSA-N 1 1 446.595 0.959 20 0 ICADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3C[C@H](O)C[C@@]3(C)CO)c2)CC1 ZINC001562326775 1073448447 /nfs/dbraw/zinc/44/84/47/1073448447.db2.gz AZVRETJAWMVSCV-APWZRJJASA-N 1 1 426.539 0.362 20 0 ICADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3C[C@H](O)C[C@@]3(C)CO)c2)CC1 ZINC001562326775 1073448440 /nfs/dbraw/zinc/44/84/40/1073448440.db2.gz AZVRETJAWMVSCV-APWZRJJASA-N 1 1 426.539 0.362 20 0 ICADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3C[C@@H](O)C[C@@]3(C)CO)c2)CC1 ZINC001562326776 1073448680 /nfs/dbraw/zinc/44/86/80/1073448680.db2.gz AZVRETJAWMVSCV-LPHOPBHVSA-N 1 1 426.539 0.362 20 0 ICADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3C[C@@H](O)C[C@@]3(C)CO)c2)CC1 ZINC001562326776 1073448671 /nfs/dbraw/zinc/44/86/71/1073448671.db2.gz AZVRETJAWMVSCV-LPHOPBHVSA-N 1 1 426.539 0.362 20 0 ICADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3C[C@@H](O)C[C@]3(C)CO)c2)CC1 ZINC001562326777 1073448433 /nfs/dbraw/zinc/44/84/33/1073448433.db2.gz AZVRETJAWMVSCV-QFBILLFUSA-N 1 1 426.539 0.362 20 0 ICADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3C[C@@H](O)C[C@]3(C)CO)c2)CC1 ZINC001562326777 1073448430 /nfs/dbraw/zinc/44/84/30/1073448430.db2.gz AZVRETJAWMVSCV-QFBILLFUSA-N 1 1 426.539 0.362 20 0 ICADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3C[C@H](O)C[C@]3(C)CO)c2)CC1 ZINC001562326778 1073448610 /nfs/dbraw/zinc/44/86/10/1073448610.db2.gz AZVRETJAWMVSCV-VQIMIIECSA-N 1 1 426.539 0.362 20 0 ICADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3C[C@H](O)C[C@]3(C)CO)c2)CC1 ZINC001562326778 1073448602 /nfs/dbraw/zinc/44/86/02/1073448602.db2.gz AZVRETJAWMVSCV-VQIMIIECSA-N 1 1 426.539 0.362 20 0 ICADMO C[C@@H]1[C@H](NC(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CCS1(=O)=O ZINC001562326986 1073448165 /nfs/dbraw/zinc/44/81/65/1073448165.db2.gz IQKSCBCUSOYZMU-RHSMWYFYSA-N 1 1 444.579 0.710 20 0 ICADMO C[C@@H]1[C@H](NC(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CCS1(=O)=O ZINC001562326986 1073448149 /nfs/dbraw/zinc/44/81/49/1073448149.db2.gz IQKSCBCUSOYZMU-RHSMWYFYSA-N 1 1 444.579 0.710 20 0 ICADMO Cn1nc2c(c1N)CN(C(=O)Nc1cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c1)C2 ZINC001562327277 1073448548 /nfs/dbraw/zinc/44/85/48/1073448548.db2.gz SHZQDCZYFWWCCO-UHFFFAOYSA-N 1 1 433.538 0.876 20 0 ICADMO Cn1nc2c(c1N)CN(C(=O)Nc1cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c1)C2 ZINC001562327277 1073448538 /nfs/dbraw/zinc/44/85/38/1073448538.db2.gz SHZQDCZYFWWCCO-UHFFFAOYSA-N 1 1 433.538 0.876 20 0 ICADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)NCCO[C@H]3CCOC3)c2)CC1 ZINC001562327327 1073448223 /nfs/dbraw/zinc/44/82/23/1073448223.db2.gz VGIPEZUMTFBARH-KRWDZBQOSA-N 1 1 426.539 0.940 20 0 ICADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)NCCO[C@H]3CCOC3)c2)CC1 ZINC001562327327 1073448210 /nfs/dbraw/zinc/44/82/10/1073448210.db2.gz VGIPEZUMTFBARH-KRWDZBQOSA-N 1 1 426.539 0.940 20 0 ICADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)NCCO[C@@H]3CCOC3)c2)CC1 ZINC001562327328 1073448655 /nfs/dbraw/zinc/44/86/55/1073448655.db2.gz VGIPEZUMTFBARH-QGZVFWFLSA-N 1 1 426.539 0.940 20 0 ICADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)NCCO[C@@H]3CCOC3)c2)CC1 ZINC001562327328 1073448641 /nfs/dbraw/zinc/44/86/41/1073448641.db2.gz VGIPEZUMTFBARH-QGZVFWFLSA-N 1 1 426.539 0.940 20 0 ICADMO CCNC(=O)NCCNC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC001562327454 1073448714 /nfs/dbraw/zinc/44/87/14/1073448714.db2.gz ZNTGLMHCADVPIM-UHFFFAOYSA-N 1 1 426.543 0.453 20 0 ICADMO CCNC(=O)NCCNC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC001562327454 1073448710 /nfs/dbraw/zinc/44/87/10/1073448710.db2.gz ZNTGLMHCADVPIM-UHFFFAOYSA-N 1 1 426.543 0.453 20 0 ICADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)NCC[C@H]2CC(=O)N(C)C2)cc1 ZINC001562329788 1073448350 /nfs/dbraw/zinc/44/83/50/1073448350.db2.gz HOHWHSJRPSIJGT-KRWDZBQOSA-N 1 1 430.553 0.887 20 0 ICADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)NCC[C@@H]2CC(=O)N(C)C2)cc1 ZINC001562329789 1073448497 /nfs/dbraw/zinc/44/84/97/1073448497.db2.gz HOHWHSJRPSIJGT-QGZVFWFLSA-N 1 1 430.553 0.887 20 0 ICADMO C[C@@H]1[C@H](NC(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)CCS1(=O)=O ZINC001562329871 1073448520 /nfs/dbraw/zinc/44/85/20/1073448520.db2.gz KINXTQNWPPEMEE-CRAIPNDOSA-N 1 1 437.566 0.594 20 0 ICADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N2C[C@@H](CO)OC(C)(C)C2)cc1 ZINC001562329880 1073449299 /nfs/dbraw/zinc/44/92/99/1073449299.db2.gz KRFVNXMUWHXGBA-IBGZPJMESA-N 1 1 433.553 0.900 20 0 ICADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N2C[C@H](CO)OC(C)(C)C2)cc1 ZINC001562329881 1073449371 /nfs/dbraw/zinc/44/93/71/1073449371.db2.gz KRFVNXMUWHXGBA-LJQANCHMSA-N 1 1 433.553 0.900 20 0 ICADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N2CC3(C2)CN(C)C(=O)O3)cc1 ZINC001562329887 1073449216 /nfs/dbraw/zinc/44/92/16/1073449216.db2.gz LAHZNFOFKFSOME-UHFFFAOYSA-N 1 1 430.509 0.565 20 0 ICADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N2CC[C@H]3COC(=O)N[C@@H]3C2)cc1 ZINC001562329997 1073449101 /nfs/dbraw/zinc/44/91/01/1073449101.db2.gz OIKGSNCCVLOUGW-QFBILLFUSA-N 1 1 444.536 0.859 20 0 ICADMO Cc1[nH][nH]c(=O)c1CCNC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC001562330063 1073449322 /nfs/dbraw/zinc/44/93/22/1073449322.db2.gz QCRJHEITZIWUCB-GOSISDBHSA-N 1 1 429.525 0.530 20 0 ICADMO Cc1[nH][nH]c(=O)c1CCNC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC001562330064 1073449344 /nfs/dbraw/zinc/44/93/44/1073449344.db2.gz QCRJHEITZIWUCB-SFHVURJKSA-N 1 1 429.525 0.530 20 0 ICADMO C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC001562330112 1073449172 /nfs/dbraw/zinc/44/91/72/1073449172.db2.gz RVGKJPSPPJHESB-QAPCUYQASA-N 1 1 437.566 0.451 20 0 ICADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N2Cc3nn(C)c(N)c3C2)cc1 ZINC001562330127 1073449082 /nfs/dbraw/zinc/44/90/82/1073449082.db2.gz SIKOBJJWECKKFL-UHFFFAOYSA-N 1 1 426.525 0.760 20 0 ICADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)cc1 ZINC001562330343 1073449276 /nfs/dbraw/zinc/44/92/76/1073449276.db2.gz AKYZQRBENPTWGV-AHRSYUTCSA-N 1 1 431.537 0.822 20 0 ICADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1 ZINC001562330344 1073449251 /nfs/dbraw/zinc/44/92/51/1073449251.db2.gz AKYZQRBENPTWGV-UXPWSPDFSA-N 1 1 431.537 0.822 20 0 ICADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N2CCc3c(=O)[nH]n(C)c3C2)cc1 ZINC001562330546 1073449122 /nfs/dbraw/zinc/44/91/22/1073449122.db2.gz HXYGLHZALGWUKR-UHFFFAOYSA-N 1 1 441.536 0.926 20 0 ICADMO CS(=O)(=O)N1CCN(c2ccc(NC(=O)N[C@H]3CCC[N@@H+](CCCO)C3)cn2)CC1 ZINC001562355947 1073449819 /nfs/dbraw/zinc/44/98/19/1073449819.db2.gz RWHQTWRHMQNJCP-KRWDZBQOSA-N 1 1 440.570 0.132 20 0 ICADMO CS(=O)(=O)N1CCN(c2ccc(NC(=O)N[C@@H]3CCC[N@@H+](CCCO)C3)cn2)CC1 ZINC001562355948 1073449985 /nfs/dbraw/zinc/44/99/85/1073449985.db2.gz RWHQTWRHMQNJCP-QGZVFWFLSA-N 1 1 440.570 0.132 20 0 ICADMO COC(=O)CN1CCN(c2ccc(NC(=O)N3C[C@@H](C)[N@H+](CCO)[C@@H](C)C3)cc2)CC1 ZINC001562359802 1073450637 /nfs/dbraw/zinc/45/06/37/1073450637.db2.gz WTGHXHZYFSEHNE-HDICACEKSA-N 1 1 433.553 0.900 20 0 ICADMO COCCNS(=O)(=O)c1ccc(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC001562388973 1073451966 /nfs/dbraw/zinc/45/19/66/1073451966.db2.gz WURLVNSMKRIQOZ-KRWDZBQOSA-N 1 1 426.539 0.674 20 0 ICADMO COCCNS(=O)(=O)c1ccc(NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC001562388974 1073451894 /nfs/dbraw/zinc/45/18/94/1073451894.db2.gz WURLVNSMKRIQOZ-QGZVFWFLSA-N 1 1 426.539 0.674 20 0 ICADMO CON(C)S(=O)(=O)c1cc(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)ccc1Cl ZINC001562412520 1073453907 /nfs/dbraw/zinc/45/39/07/1073453907.db2.gz WJHBVMXAUOHNOJ-UHFFFAOYSA-N 1 1 447.945 0.808 20 0 ICADMO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001562422502 1073454016 /nfs/dbraw/zinc/45/40/16/1073454016.db2.gz AFKAUEOAAPPIGU-UHFFFAOYSA-N 1 1 427.527 0.231 20 0 ICADMO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)cc1 ZINC001562435362 1073455881 /nfs/dbraw/zinc/45/58/81/1073455881.db2.gz HWWBTGAADIXRSV-FXCLAUTBSA-N 1 1 448.520 0.715 20 0 ICADMO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)cc1 ZINC001562435368 1073455861 /nfs/dbraw/zinc/45/58/61/1073455861.db2.gz HWWBTGAADIXRSV-LZFQIVBZSA-N 1 1 448.520 0.715 20 0 ICADMO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)NCC[N@H+]2CCC3(C2)OCCO3)cc1 ZINC001562436152 1073455740 /nfs/dbraw/zinc/45/57/40/1073455740.db2.gz UCBHULXCCKMQQW-HNNXBMFYSA-N 1 1 434.493 0.938 20 0 ICADMO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC001562436152 1073455735 /nfs/dbraw/zinc/45/57/35/1073455735.db2.gz UCBHULXCCKMQQW-HNNXBMFYSA-N 1 1 434.493 0.938 20 0 ICADMO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)NCC[N@H+]2CCC3(C2)OCCO3)cc1 ZINC001562436154 1073455845 /nfs/dbraw/zinc/45/58/45/1073455845.db2.gz UCBHULXCCKMQQW-OAHLLOKOSA-N 1 1 434.493 0.938 20 0 ICADMO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC001562436154 1073455841 /nfs/dbraw/zinc/45/58/41/1073455841.db2.gz UCBHULXCCKMQQW-OAHLLOKOSA-N 1 1 434.493 0.938 20 0 ICADMO 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CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N3C[C@H](C(=O)OC)C[C@H](O)C3)cc2)CC1 ZINC001562452559 1073457443 /nfs/dbraw/zinc/45/74/43/1073457443.db2.gz LOAVKTKWPDIIRI-MJGOQNOKSA-N 1 1 432.521 0.781 20 0 ICADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N3C[C@H](O)C[C@H](C(=O)OC)C3)cc2)CC1 ZINC001562452560 1073457277 /nfs/dbraw/zinc/45/72/77/1073457277.db2.gz LOAVKTKWPDIIRI-PKOBYXMFSA-N 1 1 432.521 0.781 20 0 ICADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N3CCC(O)(COCCO)CC3)cc2)CC1 ZINC001562452792 1073457509 /nfs/dbraw/zinc/45/75/09/1073457509.db2.gz PKLZBNRVUDSYHT-UHFFFAOYSA-N 1 1 448.564 0.761 20 0 ICADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O ZINC001562504852 1073459135 /nfs/dbraw/zinc/45/91/35/1073459135.db2.gz PLWSZFJROARSTB-KBPBESRZSA-N 1 1 446.508 0.098 20 0 ICADMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O ZINC001562504852 1073459129 /nfs/dbraw/zinc/45/91/29/1073459129.db2.gz PLWSZFJROARSTB-KBPBESRZSA-N 1 1 446.508 0.098 20 0 ICADMO 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COC(=O)[C@]1(N2CCN(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)CC2)CCOC1 ZINC001563412494 1073485933 /nfs/dbraw/zinc/48/59/33/1073485933.db2.gz QOIOZYRBUHTRNK-QFIPXVFZSA-N 1 1 438.569 0.681 20 0 ICADMO COc1ccc([C@H](CNC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)N2CCOCC2)cc1OC ZINC001563416707 1073487175 /nfs/dbraw/zinc/48/71/75/1073487175.db2.gz HQHDMHSPOQVBCC-HKUYNNGSSA-N 1 1 436.553 0.785 20 0 ICADMO COc1ccc([C@H](CNC(=O)N2CC[N@H+](CCO)C[C@@H]2C)N2CCOCC2)cc1OC ZINC001563416707 1073487172 /nfs/dbraw/zinc/48/71/72/1073487172.db2.gz HQHDMHSPOQVBCC-HKUYNNGSSA-N 1 1 436.553 0.785 20 0 ICADMO COc1ccc([C@@H](CNC(=O)N2CC[N@@H+](CCO)C[C@H]2C)N2CCOCC2)cc1OC ZINC001563416708 1073487120 /nfs/dbraw/zinc/48/71/20/1073487120.db2.gz HQHDMHSPOQVBCC-IEBWSBKVSA-N 1 1 436.553 0.785 20 0 ICADMO COc1ccc([C@@H](CNC(=O)N2CC[N@H+](CCO)C[C@H]2C)N2CCOCC2)cc1OC ZINC001563416708 1073487114 /nfs/dbraw/zinc/48/71/14/1073487114.db2.gz HQHDMHSPOQVBCC-IEBWSBKVSA-N 1 1 436.553 0.785 20 0 ICADMO COc1ccc([C@H](CNC(=O)N2CC[N@@H+](CCO)C[C@H]2C)N2CCOCC2)cc1OC ZINC001563416709 1073487219 /nfs/dbraw/zinc/48/72/19/1073487219.db2.gz HQHDMHSPOQVBCC-MJGOQNOKSA-N 1 1 436.553 0.785 20 0 ICADMO COc1ccc([C@H](CNC(=O)N2CC[N@H+](CCO)C[C@H]2C)N2CCOCC2)cc1OC ZINC001563416709 1073487214 /nfs/dbraw/zinc/48/72/14/1073487214.db2.gz HQHDMHSPOQVBCC-MJGOQNOKSA-N 1 1 436.553 0.785 20 0 ICADMO COc1ccc([C@@H](CNC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)N2CCOCC2)cc1OC ZINC001563416710 1073487203 /nfs/dbraw/zinc/48/72/03/1073487203.db2.gz HQHDMHSPOQVBCC-PKOBYXMFSA-N 1 1 436.553 0.785 20 0 ICADMO COc1ccc([C@@H](CNC(=O)N2CC[N@H+](CCO)C[C@@H]2C)N2CCOCC2)cc1OC ZINC001563416710 1073487202 /nfs/dbraw/zinc/48/72/02/1073487202.db2.gz HQHDMHSPOQVBCC-PKOBYXMFSA-N 1 1 436.553 0.785 20 0 ICADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)N2CCC(C(=O)NCCO)CC2)CC1 ZINC001563424229 1073487838 /nfs/dbraw/zinc/48/78/38/1073487838.db2.gz KBIPDKLSQCUUAG-UHFFFAOYSA-N 1 1 431.581 0.854 20 0 ICADMO CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCN(c4nncn4C)CC3)cc2)CC1 ZINC001563424410 1073487757 /nfs/dbraw/zinc/48/77/57/1073487757.db2.gz QGCDOWOWPKMRRI-UHFFFAOYSA-N 1 1 426.569 0.984 20 0 ICADMO CCN1CC[NH+](Cc2ccc(CNC(=O)NCCCn3ccc(=O)[nH]c3=O)cc2)CC1 ZINC001563424691 1073487872 /nfs/dbraw/zinc/48/78/72/1073487872.db2.gz ZWZMTCAZIPWWIQ-UHFFFAOYSA-N 1 1 428.537 0.976 20 0 ICADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)OC)C2)CC1 ZINC001563426041 1073487894 /nfs/dbraw/zinc/48/78/94/1073487894.db2.gz YQOIYYTUJVCOJG-BGYRXZFFSA-N 1 1 446.548 0.928 20 0 ICADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)N2C[C@H](C(=O)OC)[C@@H](C(=O)OC)C2)CC1 ZINC001563426042 1073487957 /nfs/dbraw/zinc/48/79/57/1073487957.db2.gz YQOIYYTUJVCOJG-PMACEKPBSA-N 1 1 446.548 0.928 20 0 ICADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)N2C[C@@H](C(=O)OC)[C@H](C(=O)OC)C2)CC1 ZINC001563426043 1073487708 /nfs/dbraw/zinc/48/77/08/1073487708.db2.gz YQOIYYTUJVCOJG-WOJBJXKFSA-N 1 1 446.548 0.928 20 0 ICADMO C[NH+]1CCN(C(=O)CCNC(=O)NC2(CNC(=O)OC(C)(C)C)CCOCC2)CC1 ZINC001563436826 1073487944 /nfs/dbraw/zinc/48/79/44/1073487944.db2.gz GMIHABASHQCLFM-UHFFFAOYSA-N 1 1 427.546 0.524 20 0 ICADMO C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC001563437085 1073487778 /nfs/dbraw/zinc/48/77/78/1073487778.db2.gz JOPLRFMSGJNNMZ-FQEVSTJZSA-N 1 1 427.546 0.476 20 0 ICADMO C[NH+]1CCN(C(=O)CCNC(=O)NC[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC001563437086 1073487654 /nfs/dbraw/zinc/48/76/54/1073487654.db2.gz JOPLRFMSGJNNMZ-HXUWFJFHSA-N 1 1 427.546 0.476 20 0 ICADMO C[NH+]1CCN(C(=O)CCNC(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)CC1 ZINC001563437343 1073487738 /nfs/dbraw/zinc/48/77/38/1073487738.db2.gz OBAIVEJWCCJDGW-UHFFFAOYSA-N 1 1 445.568 0.366 20 0 ICADMO CCOC(=O)c1ncn(C2CCN(C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2)c1N ZINC001563437399 1073487929 /nfs/dbraw/zinc/48/79/29/1073487929.db2.gz PIUOFGAQNTXDOX-UHFFFAOYSA-N 1 1 435.529 0.153 20 0 ICADMO COC(OC)C(=O)N1CCN(C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001563444508 1073487884 /nfs/dbraw/zinc/48/78/84/1073487884.db2.gz VIPCEFORKMBZIS-GOSISDBHSA-N 1 1 433.553 0.670 20 0 ICADMO COC(OC)C(=O)N1CCN(C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001563444509 1073487683 /nfs/dbraw/zinc/48/76/83/1073487683.db2.gz VIPCEFORKMBZIS-SFHVURJKSA-N 1 1 433.553 0.670 20 0 ICADMO COC(OC)C(=O)N1CCN(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001563445074 1073487978 /nfs/dbraw/zinc/48/79/78/1073487978.db2.gz KTMXLAUCXNTNLR-UHFFFAOYSA-N 1 1 437.516 0.420 20 0 ICADMO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)N1CCC2(CC1)C[C@H](O)CNC2=O ZINC001563445149 1073487622 /nfs/dbraw/zinc/48/76/22/1073487622.db2.gz MVGJCZJUGWRUAQ-IBGZPJMESA-N 1 1 433.528 0.620 20 0 ICADMO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)N1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001563445150 1073488542 /nfs/dbraw/zinc/48/85/42/1073488542.db2.gz MVGJCZJUGWRUAQ-LJQANCHMSA-N 1 1 433.528 0.620 20 0 ICADMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2nn(C)cc2I)CC1 ZINC001563446288 1073488526 /nfs/dbraw/zinc/48/85/26/1073488526.db2.gz BWDKGIIWUOUPJX-UHFFFAOYSA-N 1 1 434.282 0.034 20 0 ICADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 ZINC001563446367 1073488612 /nfs/dbraw/zinc/48/86/12/1073488612.db2.gz FRQQEIZYORGFIG-GOSISDBHSA-N 1 1 438.598 0.658 20 0 ICADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 ZINC001563446368 1073488437 /nfs/dbraw/zinc/48/84/37/1073488437.db2.gz FRQQEIZYORGFIG-SFHVURJKSA-N 1 1 438.598 0.658 20 0 ICADMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)[C@H]2C1 ZINC001563446452 1073488513 /nfs/dbraw/zinc/48/85/13/1073488513.db2.gz IBUROUKZECUDMI-BZSNNMDCSA-N 1 1 436.582 0.173 20 0 ICADMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)[C@@H]2C1 ZINC001563446453 1073488670 /nfs/dbraw/zinc/48/86/70/1073488670.db2.gz IBUROUKZECUDMI-KSZLIROESA-N 1 1 436.582 0.173 20 0 ICADMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)[C@H]2C1 ZINC001563446454 1073489450 /nfs/dbraw/zinc/48/94/50/1073489450.db2.gz IBUROUKZECUDMI-OKZBNKHCSA-N 1 1 436.582 0.173 20 0 ICADMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)[C@@H]2C1 ZINC001563446455 1073489325 /nfs/dbraw/zinc/48/93/25/1073489325.db2.gz IBUROUKZECUDMI-RCCFBDPRSA-N 1 1 436.582 0.173 20 0 ICADMO C[N@H+]1CC[C@@H]2CN(C(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)CC[C@@H]21 ZINC001563446609 1073489268 /nfs/dbraw/zinc/48/92/68/1073489268.db2.gz MVTAVRRTFPZRDI-MSOLQXFVSA-N 1 1 436.582 0.269 20 0 ICADMO C[N@H+]1CC[C@@H]2CN(C(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)CC[C@H]21 ZINC001563446610 1073489298 /nfs/dbraw/zinc/48/92/98/1073489298.db2.gz MVTAVRRTFPZRDI-QZTJIDSGSA-N 1 1 436.582 0.269 20 0 ICADMO C[N@H+]1CC[C@H]2CN(C(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)CC[C@@H]21 ZINC001563446611 1073489353 /nfs/dbraw/zinc/48/93/53/1073489353.db2.gz MVTAVRRTFPZRDI-ROUUACIJSA-N 1 1 436.582 0.269 20 0 ICADMO C[N@H+]1CC[C@H]2CN(C(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)CC[C@H]21 ZINC001563446612 1073489400 /nfs/dbraw/zinc/48/94/00/1073489400.db2.gz MVTAVRRTFPZRDI-ZWKOTPCHSA-N 1 1 436.582 0.269 20 0 ICADMO CNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC1 ZINC001563446644 1073489428 /nfs/dbraw/zinc/48/94/28/1073489428.db2.gz NPFGVAPETQPTHF-HDICACEKSA-N 1 1 427.505 0.023 20 0 ICADMO CCCNC(=O)C[NH+]1CCC(NC(=O)NCc2cn(CC(F)(F)F)c(=O)[nH]c2=O)CC1 ZINC001563447092 1073490172 /nfs/dbraw/zinc/49/01/72/1073490172.db2.gz FILVJAYIEBNIDS-UHFFFAOYSA-N 1 1 448.446 0.301 20 0 ICADMO CCCNC(=O)C[NH+]1CCC(NC(=O)NCC2(S(=O)(=O)NC(C)(C)C)CC2)CC1 ZINC001563447155 1073490015 /nfs/dbraw/zinc/49/00/15/1073490015.db2.gz HJGVDUPPYXBGEJ-UHFFFAOYSA-N 1 1 431.603 0.527 20 0 ICADMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)CC1 ZINC001563447172 1073490113 /nfs/dbraw/zinc/49/01/13/1073490113.db2.gz HZXUYEBQJDPYBH-CYBMUJFWSA-N 1 1 439.314 0.217 20 0 ICADMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)CC1 ZINC001563447173 1073489975 /nfs/dbraw/zinc/48/99/75/1073489975.db2.gz HZXUYEBQJDPYBH-ZDUSSCGKSA-N 1 1 439.314 0.217 20 0 ICADMO CCCNC(=O)C[NH+]1CCC(NC(=O)N2[C@@H]3CC[C@H]2C[C@](O)(c2ccnn2C)C3)CC1 ZINC001563447179 1073489985 /nfs/dbraw/zinc/48/99/85/1073489985.db2.gz ICGJBQMONUGABC-OEWRPIJISA-N 1 1 432.569 0.935 20 0 ICADMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2COC)CC1 ZINC001563447357 1073490100 /nfs/dbraw/zinc/49/01/00/1073490100.db2.gz OJHOQHWNWNIYBP-INIZCTEOSA-N 1 1 427.546 0.474 20 0 ICADMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2COC)CC1 ZINC001563447358 1073490051 /nfs/dbraw/zinc/49/00/51/1073490051.db2.gz OJHOQHWNWNIYBP-MRXNPFEDSA-N 1 1 427.546 0.474 20 0 ICADMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@](CO)(NC(=O)OC(C)(C)C)C2)CC1 ZINC001563447545 1073490066 /nfs/dbraw/zinc/49/00/66/1073490066.db2.gz VCZUYITWYGKQEY-FQEVSTJZSA-N 1 1 427.546 0.258 20 0 ICADMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@](CO)(NC(=O)OC(C)(C)C)C2)CC1 ZINC001563447546 1073490126 /nfs/dbraw/zinc/49/01/26/1073490126.db2.gz VCZUYITWYGKQEY-HXUWFJFHSA-N 1 1 427.546 0.258 20 0 ICADMO CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCOC[C@@H]2[C@H]2CC[C@H](COC)O2)CC1 ZINC001563447661 1073490002 /nfs/dbraw/zinc/49/00/02/1073490002.db2.gz ZDANEQOSDINNKI-GUDVDZBRSA-N 1 1 426.558 0.581 20 0 ICADMO CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCOC[C@@H]2[C@H]2CC[C@@H](COC)O2)CC1 ZINC001563447662 1073490034 /nfs/dbraw/zinc/49/00/34/1073490034.db2.gz ZDANEQOSDINNKI-IPMKNSEASA-N 1 1 426.558 0.581 20 0 ICADMO CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCOC[C@@H]2[C@@H]2CC[C@@H](COC)O2)CC1 ZINC001563447663 1073490158 /nfs/dbraw/zinc/49/01/58/1073490158.db2.gz ZDANEQOSDINNKI-OTWHNJEPSA-N 1 1 426.558 0.581 20 0 ICADMO CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCOC[C@@H]2[C@@H]2CC[C@H](COC)O2)CC1 ZINC001563447664 1073490144 /nfs/dbraw/zinc/49/01/44/1073490144.db2.gz ZDANEQOSDINNKI-QRVBRYPASA-N 1 1 426.558 0.581 20 0 ICADMO Cc1cccc([C@H](CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)N2CCOCC2)c1 ZINC001563457285 1073490812 /nfs/dbraw/zinc/49/08/12/1073490812.db2.gz PYOAPCXDAUNREN-QNWVGRARSA-N 1 1 432.565 0.893 20 0 ICADMO 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C[N@H+]1CCN(CCCNC(=O)NC(C)(C)CNS(C)(=O)=O)[C@H](c2ccccc2)C1 ZINC001563487324 1073490987 /nfs/dbraw/zinc/49/09/87/1073490987.db2.gz BUFLKTHYADGLNU-SFHVURJKSA-N 1 1 425.599 0.992 20 0 ICADMO C[N@@H+]1CCN(CCCNC(=O)NC(C)(C)CNS(C)(=O)=O)[C@H](c2ccccc2)C1 ZINC001563487324 1073490981 /nfs/dbraw/zinc/49/09/81/1073490981.db2.gz BUFLKTHYADGLNU-SFHVURJKSA-N 1 1 425.599 0.992 20 0 ICADMO CN1CC[N@@H+](CCCNC(=O)NC(C)(C)CNS(C)(=O)=O)[C@H](c2ccccc2)C1 ZINC001563487324 1073490979 /nfs/dbraw/zinc/49/09/79/1073490979.db2.gz BUFLKTHYADGLNU-SFHVURJKSA-N 1 1 425.599 0.992 20 0 ICADMO CN(C)S(=O)(=O)N1CC(NC(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC001563488044 1073490841 /nfs/dbraw/zinc/49/08/41/1073490841.db2.gz SGJTVPHUAGLZEN-IBGZPJMESA-N 1 1 438.598 0.155 20 0 ICADMO CN(C)S(=O)(=O)N1CC(NC(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC001563488044 1073490837 /nfs/dbraw/zinc/49/08/37/1073490837.db2.gz SGJTVPHUAGLZEN-IBGZPJMESA-N 1 1 438.598 0.155 20 0 ICADMO 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COc1ccc(S(=O)(=O)NCC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)cc1OC ZINC001565607233 1071852552 /nfs/dbraw/zinc/85/25/52/1071852552.db2.gz UGVKKFADAGQYMC-UHFFFAOYSA-N 1 1 428.555 0.124 20 0 ICADMO C[C@H](CNC(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)N1CC[NH+](C)CC1 ZINC001565611261 1071852319 /nfs/dbraw/zinc/85/23/19/1071852319.db2.gz ZGVHZNQXYMSOHE-BCOMRZATSA-N 1 1 430.615 0.887 20 0 ICADMO C[C@@H](CNC(=O)C1([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)N1CC[NH+](C)CC1 ZINC001565611262 1071852462 /nfs/dbraw/zinc/85/24/62/1071852462.db2.gz ZGVHZNQXYMSOHE-GUNSETOZSA-N 1 1 430.615 0.887 20 0 ICADMO C[C@H](CNC(=O)C1([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)N1CC[NH+](C)CC1 ZINC001565611263 1071852685 /nfs/dbraw/zinc/85/26/85/1071852685.db2.gz ZGVHZNQXYMSOHE-HYDGNGQDSA-N 1 1 430.615 0.887 20 0 ICADMO C[C@@H](CNC(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)N1CC[NH+](C)CC1 ZINC001565611264 1071852645 /nfs/dbraw/zinc/85/26/45/1071852645.db2.gz ZGVHZNQXYMSOHE-OFJJUDJNSA-N 1 1 430.615 0.887 20 0 ICADMO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCCC[N@@H+]2CCCN(C)CC2)cc1 ZINC001565612042 1071853401 /nfs/dbraw/zinc/85/34/01/1071853401.db2.gz ZTQFYOLZLFWSNN-UHFFFAOYSA-N 1 1 425.555 0.067 20 0 ICADMO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCCC[N@H+]2CCCN(C)CC2)cc1 ZINC001565612042 1071853396 /nfs/dbraw/zinc/85/33/96/1071853396.db2.gz ZTQFYOLZLFWSNN-UHFFFAOYSA-N 1 1 425.555 0.067 20 0 ICADMO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCCCN2CCC[N@H+](C)CC2)cc1 ZINC001565612042 1071853395 /nfs/dbraw/zinc/85/33/95/1071853395.db2.gz ZTQFYOLZLFWSNN-UHFFFAOYSA-N 1 1 425.555 0.067 20 0 ICADMO COC(=O)C1CC[NH+](CCCNC(=O)c2cc(S(C)(=O)=O)c(OC)cc2N)CC1 ZINC001565616081 1071854040 /nfs/dbraw/zinc/85/40/40/1071854040.db2.gz XAPPAADRXJEQFQ-UHFFFAOYSA-N 1 1 427.523 0.686 20 0 ICADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)CC1 ZINC001565618222 1071854106 /nfs/dbraw/zinc/85/41/06/1071854106.db2.gz PFZDOVGNANDBHH-AVRDEDQJSA-N 1 1 432.521 0.429 20 0 ICADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 ZINC001565618223 1071853906 /nfs/dbraw/zinc/85/39/06/1071853906.db2.gz PFZDOVGNANDBHH-GCJKJVERSA-N 1 1 432.521 0.429 20 0 ICADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)CC1 ZINC001565618224 1071853983 /nfs/dbraw/zinc/85/39/83/1071853983.db2.gz PFZDOVGNANDBHH-PGRDOPGGSA-N 1 1 432.521 0.429 20 0 ICADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 ZINC001565618225 1071854675 /nfs/dbraw/zinc/85/46/75/1071854675.db2.gz PFZDOVGNANDBHH-XMSQKQJNSA-N 1 1 432.521 0.429 20 0 ICADMO C[NH+]1CCN(C(=O)CCNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 ZINC001565618483 1071854754 /nfs/dbraw/zinc/85/47/54/1071854754.db2.gz YVUNPRQZNHMPQE-KRWDZBQOSA-N 1 1 438.550 0.038 20 0 ICADMO C[NH+]1CCN(C(=O)CCNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 ZINC001565618484 1071854792 /nfs/dbraw/zinc/85/47/92/1071854792.db2.gz YVUNPRQZNHMPQE-QGZVFWFLSA-N 1 1 438.550 0.038 20 0 ICADMO CN(C)c1[nH+]cc(CNC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)n1C ZINC001565619553 1071854615 /nfs/dbraw/zinc/85/46/15/1071854615.db2.gz SLIVLYWXYZGDGN-BFUOFWGJSA-N 1 1 441.554 0.384 20 0 ICADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)CC1 ZINC001565621402 1071855564 /nfs/dbraw/zinc/85/55/64/1071855564.db2.gz AIYFKAPSVPCZDN-UHFFFAOYSA-N 1 1 435.550 0.253 20 0 ICADMO COc1ccc([C@H]2[C@H](C(=O)N3CCN(C(=O)N4CC[NH+](C)CC4)CC3)CC(=O)N2C)cc1 ZINC001565621609 1071855174 /nfs/dbraw/zinc/85/51/74/1071855174.db2.gz HPNSIEALQSSEDE-CTNGQTDRSA-N 1 1 443.548 0.726 20 0 ICADMO COc1ccc([C@H]2[C@@H](C(=O)N3CCN(C(=O)N4CC[NH+](C)CC4)CC3)CC(=O)N2C)cc1 ZINC001565621610 1071855202 /nfs/dbraw/zinc/85/52/02/1071855202.db2.gz HPNSIEALQSSEDE-FPOVZHCZSA-N 1 1 443.548 0.726 20 0 ICADMO COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(C(=O)N4CC[NH+](C)CC4)CC3)CC(=O)N2C)cc1 ZINC001565621611 1071855388 /nfs/dbraw/zinc/85/53/88/1071855388.db2.gz HPNSIEALQSSEDE-PZJWPPBQSA-N 1 1 443.548 0.726 20 0 ICADMO COc1ccc([C@@H]2[C@H](C(=O)N3CCN(C(=O)N4CC[NH+](C)CC4)CC3)CC(=O)N2C)cc1 ZINC001565621612 1071855518 /nfs/dbraw/zinc/85/55/18/1071855518.db2.gz HPNSIEALQSSEDE-TZIWHRDSSA-N 1 1 443.548 0.726 20 0 ICADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cc(C(N)=O)n(-c4ccccc4)n3)CC2)CC1 ZINC001565621628 1071855277 /nfs/dbraw/zinc/85/52/77/1071855277.db2.gz HZSVUPGPRYZVPZ-UHFFFAOYSA-N 1 1 425.493 0.096 20 0 ICADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)COc3cccc(NC(=O)C4CC4)c3)CC2)CC1 ZINC001565621668 1071855590 /nfs/dbraw/zinc/85/55/90/1071855590.db2.gz JAMUNQYSKTXTKF-UHFFFAOYSA-N 1 1 429.521 0.926 20 0 ICADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)NC4CC4)c3)CC2)CC1 ZINC001565621729 1071855469 /nfs/dbraw/zinc/85/54/69/1071855469.db2.gz LGQXZQKIEDKRAS-UHFFFAOYSA-N 1 1 435.550 0.253 20 0 ICADMO COc1cc(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)cc(NC(C)=O)c1OC ZINC001565621738 1071855325 /nfs/dbraw/zinc/85/53/25/1071855325.db2.gz LMOPXGPSKCDKQC-UHFFFAOYSA-N 1 1 433.509 0.787 20 0 ICADMO CN1CCN(C(=O)N2CCN(C(=O)[C@H](c3ccccc3)N3CC[NH+](C)CC3)CC2)CC1 ZINC001565621761 1071855408 /nfs/dbraw/zinc/85/54/08/1071855408.db2.gz MOEJASFAARIMCN-NRFANRHFSA-N 1 1 428.581 0.487 20 0 ICADMO CN1CCN(C(=O)N2CCN(C(=O)[C@@H](c3ccccc3)N3CC[NH+](C)CC3)CC2)CC1 ZINC001565621762 1071855503 /nfs/dbraw/zinc/85/55/03/1071855503.db2.gz MOEJASFAARIMCN-OAQYLSRUSA-N 1 1 428.581 0.487 20 0 ICADMO COc1ccc(-n2nnc(C(=O)N3CCN(C(=O)N4CC[NH+](C)CC4)CC3)c2C)cc1 ZINC001565621772 1071855430 /nfs/dbraw/zinc/85/54/30/1071855430.db2.gz MZJXKCDKTBGGQH-UHFFFAOYSA-N 1 1 427.509 0.710 20 0 ICADMO COc1ccc(C(=O)NCCCC(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC001565621784 1071855237 /nfs/dbraw/zinc/85/52/37/1071855237.db2.gz NMNZCFMPWNXUPQ-UHFFFAOYSA-N 1 1 431.537 0.717 20 0 ICADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cccc(N4CCCS4(=O)=O)c3)CC2)CC1 ZINC001565621813 1071855450 /nfs/dbraw/zinc/85/54/50/1071855450.db2.gz OIIZZFRQKYMBIO-UHFFFAOYSA-N 1 1 435.550 0.352 20 0 ICADMO COC(=O)COc1c(C)cc(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)cc1C ZINC001565621823 1071855340 /nfs/dbraw/zinc/85/53/40/1071855340.db2.gz OOSKOFACRNUKLH-UHFFFAOYSA-N 1 1 432.521 0.980 20 0 ICADMO Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1CCN(C(=O)N3CC[NH+](C)CC3)CC1)C2=O ZINC001565621827 1071855140 /nfs/dbraw/zinc/85/51/40/1071855140.db2.gz OUZYWEAVBTVOJE-INIZCTEOSA-N 1 1 427.505 0.491 20 0 ICADMO Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CCN(C(=O)N3CC[NH+](C)CC3)CC1)C2=O ZINC001565621828 1071855539 /nfs/dbraw/zinc/85/55/39/1071855539.db2.gz OUZYWEAVBTVOJE-MRXNPFEDSA-N 1 1 427.505 0.491 20 0 ICADMO Cc1c(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)cnn1CCO[C@H]1CCCCO1 ZINC001565621830 1071855365 /nfs/dbraw/zinc/85/53/65/1071855365.db2.gz OXBVDYHCDOKIGL-FQEVSTJZSA-N 1 1 448.568 0.860 20 0 ICADMO Cc1c(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)cnn1CCO[C@@H]1CCCCO1 ZINC001565621831 1071855481 /nfs/dbraw/zinc/85/54/81/1071855481.db2.gz OXBVDYHCDOKIGL-HXUWFJFHSA-N 1 1 448.568 0.860 20 0 ICADMO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001565621947 1071855302 /nfs/dbraw/zinc/85/53/02/1071855302.db2.gz SEBCAUGIPIJNSS-UHFFFAOYSA-N 1 1 443.552 0.735 20 0 ICADMO CC(C)c1nnc(NC(=O)CCC(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC001565621977 1071855969 /nfs/dbraw/zinc/85/59/69/1071855969.db2.gz SXODYRTZSHBEDC-UHFFFAOYSA-N 1 1 437.570 0.892 20 0 ICADMO Cc1sc2ncn(CC(=O)N3CCN(C(=O)N4CC[NH+](C)CC4)CC3)c(=O)c2c1C ZINC001565622137 1071856068 /nfs/dbraw/zinc/85/60/68/1071856068.db2.gz ZXXUONJNEAFOND-UHFFFAOYSA-N 1 1 432.550 0.586 20 0 ICADMO Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001565622152 1071856003 /nfs/dbraw/zinc/85/60/03/1071856003.db2.gz AQCVVQOWRBNPPG-UHFFFAOYSA-N 1 1 443.595 0.050 20 0 ICADMO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001565622161 1071856056 /nfs/dbraw/zinc/85/60/56/1071856056.db2.gz AVIPPMOGKZEJSV-UHFFFAOYSA-N 1 1 426.315 0.983 20 0 ICADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cc4nccc(C(F)(F)F)n4n3)CC2)CC1 ZINC001565622183 1071855952 /nfs/dbraw/zinc/85/59/52/1071855952.db2.gz CBDNBXRTCSYVKL-UHFFFAOYSA-N 1 1 425.415 0.873 20 0 ICADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)C3=NO[C@H](CNC(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001565622205 1071856149 /nfs/dbraw/zinc/85/61/49/1071856149.db2.gz CUGUCSSWMKUBJZ-HNNXBMFYSA-N 1 1 438.529 0.168 20 0 ICADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)C3=NO[C@@H](CNC(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001565622206 1071856105 /nfs/dbraw/zinc/85/61/05/1071856105.db2.gz CUGUCSSWMKUBJZ-OAHLLOKOSA-N 1 1 438.529 0.168 20 0 ICADMO Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)C[N@H+](C)[C@@H]3CCC[C@H]3O)CC2)cc1 ZINC001565622225 1071856032 /nfs/dbraw/zinc/85/60/32/1071856032.db2.gz DJOKEGLIAKUHMV-WOJBJXKFSA-N 1 1 438.594 0.263 20 0 ICADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cnn(CCO)c3-c3ccccc3)CC2)CC1 ZINC001565622317 1071856010 /nfs/dbraw/zinc/85/60/10/1071856010.db2.gz IFKIVAMPNZKMDA-UHFFFAOYSA-N 1 1 426.521 0.668 20 0 ICADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)Cn3ccc(Br)cc3=O)CC2)CC1 ZINC001565622340 1071856166 /nfs/dbraw/zinc/85/61/66/1071856166.db2.gz IYCMDIYWXFSBCO-UHFFFAOYSA-N 1 1 426.315 0.122 20 0 ICADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CC(=O)N(CCc4ccc(F)cc4)C3)CC2)CC1 ZINC001565622355 1071856039 /nfs/dbraw/zinc/85/60/39/1071856039.db2.gz JLIQFJXYTJABKQ-IBGZPJMESA-N 1 1 445.539 0.728 20 0 ICADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(CCc4ccc(F)cc4)C3)CC2)CC1 ZINC001565622356 1071855996 /nfs/dbraw/zinc/85/59/96/1071855996.db2.gz JLIQFJXYTJABKQ-LJQANCHMSA-N 1 1 445.539 0.728 20 0 ICADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)CC2)CC1 ZINC001565622373 1071856022 /nfs/dbraw/zinc/85/60/22/1071856022.db2.gz KVLVGPVOSHGZAN-MRXNPFEDSA-N 1 1 425.530 0.134 20 0 ICADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)CC4CC4)cc3)CC2)CC1 ZINC001565622476 1071855985 /nfs/dbraw/zinc/85/59/85/1071855985.db2.gz OCTFDTITIDVTGR-UHFFFAOYSA-N 1 1 434.562 0.996 20 0 ICADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cnc(CNC(=O)OC(C)(C)C)nc3)CC2)CC1 ZINC001565622491 1071856793 /nfs/dbraw/zinc/85/67/93/1071856793.db2.gz PAWMICMAGWEERU-UHFFFAOYSA-N 1 1 447.540 0.627 20 0 ICADMO C[C@H](C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001565622553 1071856840 /nfs/dbraw/zinc/85/68/40/1071856840.db2.gz RMDSEQGWOWBRIV-DLBZAZTESA-N 1 1 441.573 0.362 20 0 ICADMO C[C@@H](C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001565622554 1071856762 /nfs/dbraw/zinc/85/67/62/1071856762.db2.gz RMDSEQGWOWBRIV-IAGOWNOFSA-N 1 1 441.573 0.362 20 0 ICADMO C[C@H](C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001565622555 1071856665 /nfs/dbraw/zinc/85/66/65/1071856665.db2.gz RMDSEQGWOWBRIV-IRXDYDNUSA-N 1 1 441.573 0.362 20 0 ICADMO C[C@@H](C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001565622556 1071856733 /nfs/dbraw/zinc/85/67/33/1071856733.db2.gz RMDSEQGWOWBRIV-SJORKVTESA-N 1 1 441.573 0.362 20 0 ICADMO COc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC001565622615 1071856807 /nfs/dbraw/zinc/85/68/07/1071856807.db2.gz UMUYSMXUCQFJDD-FQEVSTJZSA-N 1 1 443.548 0.811 20 0 ICADMO COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC001565622616 1071856855 /nfs/dbraw/zinc/85/68/55/1071856855.db2.gz UMUYSMXUCQFJDD-HXUWFJFHSA-N 1 1 443.548 0.811 20 0 ICADMO CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001565622731 1071856708 /nfs/dbraw/zinc/85/67/08/1071856708.db2.gz ZEFIRSBTCFQNKY-IBGZPJMESA-N 1 1 431.537 0.855 20 0 ICADMO CCOCC[NH+]1CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001565649390 1071861595 /nfs/dbraw/zinc/86/15/95/1071861595.db2.gz CEJBAYKDTKBLAJ-UHFFFAOYSA-N 1 1 441.550 0.697 20 0 ICADMO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001565651385 1071862059 /nfs/dbraw/zinc/86/20/59/1071862059.db2.gz YXMFJKJCYNCTOB-DLBZAZTESA-N 1 1 447.598 0.980 20 0 ICADMO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001565651386 1071862334 /nfs/dbraw/zinc/86/23/34/1071862334.db2.gz YXMFJKJCYNCTOB-IAGOWNOFSA-N 1 1 447.598 0.980 20 0 ICADMO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001565651387 1071861866 /nfs/dbraw/zinc/86/18/66/1071861866.db2.gz YXMFJKJCYNCTOB-IRXDYDNUSA-N 1 1 447.598 0.980 20 0 ICADMO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001565651388 1071861943 /nfs/dbraw/zinc/86/19/43/1071861943.db2.gz YXMFJKJCYNCTOB-SJORKVTESA-N 1 1 447.598 0.980 20 0 ICADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)CC2)CC1 ZINC001565652192 1071861920 /nfs/dbraw/zinc/86/19/20/1071861920.db2.gz ACSWHLJOPDFHCI-CABCVRRESA-N 1 1 439.500 0.612 20 0 ICADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)CC2)CC1 ZINC001565652193 1071861821 /nfs/dbraw/zinc/86/18/21/1071861821.db2.gz ACSWHLJOPDFHCI-GJZGRUSLSA-N 1 1 439.500 0.612 20 0 ICADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CS(=O)(=O)C[C@H]3C(F)(F)F)CC2)CC1 ZINC001565652194 1071861782 /nfs/dbraw/zinc/86/17/82/1071861782.db2.gz ACSWHLJOPDFHCI-HUUCEWRRSA-N 1 1 439.500 0.612 20 0 ICADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CS(=O)(=O)C[C@H]3C(F)(F)F)CC2)CC1 ZINC001565652195 1071862099 /nfs/dbraw/zinc/86/20/99/1071862099.db2.gz ACSWHLJOPDFHCI-LSDHHAIUSA-N 1 1 439.500 0.612 20 0 ICADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)CNc3ccc(S(C)(=O)=O)cc3)CC2)CC1 ZINC001565652710 1071862286 /nfs/dbraw/zinc/86/22/86/1071862286.db2.gz PQWXHHOWJJTQCC-UHFFFAOYSA-N 1 1 436.578 0.905 20 0 ICADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)CC3(O)CN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001565653117 1071861843 /nfs/dbraw/zinc/86/18/43/1071861843.db2.gz DOWSJAGNLMPGRR-UHFFFAOYSA-N 1 1 438.569 0.761 20 0 ICADMO CC(C)(C)OC(=O)NCC(=O)NCC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC001565661360 1071862954 /nfs/dbraw/zinc/86/29/54/1071862954.db2.gz AEISRRQZHOOGKQ-UHFFFAOYSA-N 1 1 449.552 0.773 20 0 ICADMO COC(=O)c1cccn(CC(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)c1=O ZINC001565661933 1071863430 /nfs/dbraw/zinc/86/34/30/1071863430.db2.gz QMXAITJAMGOOOF-UHFFFAOYSA-N 1 1 428.489 0.781 20 0 ICADMO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC001565668712 1071864079 /nfs/dbraw/zinc/86/40/79/1071864079.db2.gz PGTJKHZDGPEHQR-MOPGFXCFSA-N 1 1 430.530 0.995 20 0 ICADMO COc1cccc([C@H](C)[NH+]2CCN(C(=O)CCn3cc(C(N)=O)c(=O)[nH]c3=O)CC2)c1 ZINC001565679812 1071864851 /nfs/dbraw/zinc/86/48/51/1071864851.db2.gz BRPWAWSOTFCMFI-AWEZNQCLSA-N 1 1 429.477 0.352 20 0 ICADMO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)CCn3cc(C(N)=O)c(=O)[nH]c3=O)CC2)c1 ZINC001565679813 1071864542 /nfs/dbraw/zinc/86/45/42/1071864542.db2.gz BRPWAWSOTFCMFI-CQSZACIVSA-N 1 1 429.477 0.352 20 0 ICADMO CC1(C)C[N@H+](C2(CNC(=O)CCn3cc(C(N)=O)c(=O)[nH]c3=O)CCCCC2)CCO1 ZINC001565685552 1071864622 /nfs/dbraw/zinc/86/46/22/1071864622.db2.gz DFYBFODPIHFXAG-UHFFFAOYSA-N 1 1 435.525 0.368 20 0 ICADMO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001565695236 1071865415 /nfs/dbraw/zinc/86/54/15/1071865415.db2.gz JNCJQXREDLNEKP-HNNXBMFYSA-N 1 1 440.566 0.592 20 0 ICADMO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001565695236 1071865399 /nfs/dbraw/zinc/86/53/99/1071865399.db2.gz JNCJQXREDLNEKP-HNNXBMFYSA-N 1 1 440.566 0.592 20 0 ICADMO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001565695237 1071865522 /nfs/dbraw/zinc/86/55/22/1071865522.db2.gz JNCJQXREDLNEKP-OAHLLOKOSA-N 1 1 440.566 0.592 20 0 ICADMO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001565695237 1071865516 /nfs/dbraw/zinc/86/55/16/1071865516.db2.gz JNCJQXREDLNEKP-OAHLLOKOSA-N 1 1 440.566 0.592 20 0 ICADMO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC001565695967 1071866377 /nfs/dbraw/zinc/86/63/77/1071866377.db2.gz IOXUVVBUBFKLGQ-APWZRJJASA-N 1 1 438.594 0.586 20 0 ICADMO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC001565695967 1071866360 /nfs/dbraw/zinc/86/63/60/1071866360.db2.gz IOXUVVBUBFKLGQ-APWZRJJASA-N 1 1 438.594 0.586 20 0 ICADMO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC001565695968 1071866255 /nfs/dbraw/zinc/86/62/55/1071866255.db2.gz IOXUVVBUBFKLGQ-LPHOPBHVSA-N 1 1 438.594 0.586 20 0 ICADMO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC001565695968 1071866244 /nfs/dbraw/zinc/86/62/44/1071866244.db2.gz IOXUVVBUBFKLGQ-LPHOPBHVSA-N 1 1 438.594 0.586 20 0 ICADMO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC001565695969 1071866470 /nfs/dbraw/zinc/86/64/70/1071866470.db2.gz IOXUVVBUBFKLGQ-QFBILLFUSA-N 1 1 438.594 0.586 20 0 ICADMO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC001565695969 1071866465 /nfs/dbraw/zinc/86/64/65/1071866465.db2.gz IOXUVVBUBFKLGQ-QFBILLFUSA-N 1 1 438.594 0.586 20 0 ICADMO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC001565695970 1071866496 /nfs/dbraw/zinc/86/64/96/1071866496.db2.gz IOXUVVBUBFKLGQ-VQIMIIECSA-N 1 1 438.594 0.586 20 0 ICADMO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC001565695970 1071866492 /nfs/dbraw/zinc/86/64/92/1071866492.db2.gz IOXUVVBUBFKLGQ-VQIMIIECSA-N 1 1 438.594 0.586 20 0 ICADMO CC(C)(C)OC(=O)NCC1(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC(O)C1 ZINC001565701367 1071867157 /nfs/dbraw/zinc/86/71/57/1071867157.db2.gz CHHIWRSUIRIJMY-BQJIDLTASA-N 1 1 426.558 0.175 20 0 ICADMO CC(C)(C)OC(=O)NCC1(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC(O)C1 ZINC001565701368 1071867010 /nfs/dbraw/zinc/86/70/10/1071867010.db2.gz CHHIWRSUIRIJMY-ZGGTZUKQSA-N 1 1 426.558 0.175 20 0 ICADMO CC(C)Cc1nnc(NC(=O)CCC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)s1 ZINC001565701634 1071867121 /nfs/dbraw/zinc/86/71/21/1071867121.db2.gz JAONITLNQNLKDT-INIZCTEOSA-N 1 1 438.598 0.978 20 0 ICADMO CC(C)Cc1nnc(NC(=O)CCC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)s1 ZINC001565701635 1071866902 /nfs/dbraw/zinc/86/69/02/1071866902.db2.gz JAONITLNQNLKDT-MRXNPFEDSA-N 1 1 438.598 0.978 20 0 ICADMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC001565723047 1071868531 /nfs/dbraw/zinc/86/85/31/1071868531.db2.gz PBAMWJSCUWOPOC-AWEZNQCLSA-N 1 1 443.488 0.939 20 0 ICADMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC001565723047 1071868529 /nfs/dbraw/zinc/86/85/29/1071868529.db2.gz PBAMWJSCUWOPOC-AWEZNQCLSA-N 1 1 443.488 0.939 20 0 ICADMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC001565723048 1071868477 /nfs/dbraw/zinc/86/84/77/1071868477.db2.gz PBAMWJSCUWOPOC-CQSZACIVSA-N 1 1 443.488 0.939 20 0 ICADMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC001565723048 1071868474 /nfs/dbraw/zinc/86/84/74/1071868474.db2.gz PBAMWJSCUWOPOC-CQSZACIVSA-N 1 1 443.488 0.939 20 0 ICADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)CC2)CC1 ZINC001565723663 1071868584 /nfs/dbraw/zinc/86/85/84/1071868584.db2.gz KPQKHBKPBDBPRR-GOSISDBHSA-N 1 1 437.585 0.186 20 0 ICADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H](CC(N)=O)NC(=O)CC(C)C)CC2)CC1 ZINC001565723664 1071868547 /nfs/dbraw/zinc/86/85/47/1071868547.db2.gz KPQKHBKPBDBPRR-SFHVURJKSA-N 1 1 437.585 0.186 20 0 ICADMO CC[C@@H]1[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC[N@H+]1C ZINC001565728373 1071869108 /nfs/dbraw/zinc/86/91/08/1071869108.db2.gz NXJINSNAMOJDJV-DOTOQJQBSA-N 1 1 436.534 0.581 20 0 ICADMO COCC[N@H+]1CC[C@H](NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC001565783406 1071872922 /nfs/dbraw/zinc/87/29/22/1071872922.db2.gz XVSVVISQCWSCJF-HNNXBMFYSA-N 1 1 427.523 0.353 20 0 ICADMO COCC[N@H+]1CC[C@@H](NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC001565783407 1071873113 /nfs/dbraw/zinc/87/31/13/1071873113.db2.gz XVSVVISQCWSCJF-OAHLLOKOSA-N 1 1 427.523 0.353 20 0 ICADMO C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)[C@@H]1CN(C)CC[N@H+]1C ZINC001565833353 1071874386 /nfs/dbraw/zinc/87/43/86/1071874386.db2.gz KBGSZBILSAYOEB-BBRMVZONSA-N 1 1 447.399 0.820 20 0 ICADMO C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001565833353 1071874377 /nfs/dbraw/zinc/87/43/77/1071874377.db2.gz KBGSZBILSAYOEB-BBRMVZONSA-N 1 1 447.399 0.820 20 0 ICADMO C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC001565833353 1071874359 /nfs/dbraw/zinc/87/43/59/1071874359.db2.gz KBGSZBILSAYOEB-BBRMVZONSA-N 1 1 447.399 0.820 20 0 ICADMO C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)[C@@H]1CN(C)CC[N@H+]1C ZINC001565833354 1071875806 /nfs/dbraw/zinc/87/58/06/1071875806.db2.gz KBGSZBILSAYOEB-CJNGLKHVSA-N 1 1 447.399 0.820 20 0 ICADMO C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001565833354 1071875801 /nfs/dbraw/zinc/87/58/01/1071875801.db2.gz KBGSZBILSAYOEB-CJNGLKHVSA-N 1 1 447.399 0.820 20 0 ICADMO C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC001565833354 1071875794 /nfs/dbraw/zinc/87/57/94/1071875794.db2.gz KBGSZBILSAYOEB-CJNGLKHVSA-N 1 1 447.399 0.820 20 0 ICADMO C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)[C@H]1CN(C)CC[N@H+]1C ZINC001565833355 1071875506 /nfs/dbraw/zinc/87/55/06/1071875506.db2.gz KBGSZBILSAYOEB-CZUORRHYSA-N 1 1 447.399 0.820 20 0 ICADMO C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)[C@H]1CN(C)CC[N@@H+]1C ZINC001565833355 1071875495 /nfs/dbraw/zinc/87/54/95/1071875495.db2.gz KBGSZBILSAYOEB-CZUORRHYSA-N 1 1 447.399 0.820 20 0 ICADMO C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC001565833355 1071875481 /nfs/dbraw/zinc/87/54/81/1071875481.db2.gz KBGSZBILSAYOEB-CZUORRHYSA-N 1 1 447.399 0.820 20 0 ICADMO C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)[C@H]1CN(C)CC[N@H+]1C ZINC001565833356 1071875334 /nfs/dbraw/zinc/87/53/34/1071875334.db2.gz KBGSZBILSAYOEB-XJKSGUPXSA-N 1 1 447.399 0.820 20 0 ICADMO C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)[C@H]1CN(C)CC[N@@H+]1C ZINC001565833356 1071875327 /nfs/dbraw/zinc/87/53/27/1071875327.db2.gz KBGSZBILSAYOEB-XJKSGUPXSA-N 1 1 447.399 0.820 20 0 ICADMO C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC001565833356 1071875314 /nfs/dbraw/zinc/87/53/14/1071875314.db2.gz KBGSZBILSAYOEB-XJKSGUPXSA-N 1 1 447.399 0.820 20 0 ICADMO Cc1c(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)cc(Br)cc1S(N)(=O)=O ZINC001565833676 1071875523 /nfs/dbraw/zinc/87/55/23/1071875523.db2.gz MFLMMCVESZXPOI-BXUZGUMPSA-N 1 1 433.372 0.769 20 0 ICADMO Cc1c(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc(Br)cc1S(N)(=O)=O ZINC001565833677 1071875725 /nfs/dbraw/zinc/87/57/25/1071875725.db2.gz MFLMMCVESZXPOI-FZMZJTMJSA-N 1 1 433.372 0.769 20 0 ICADMO Cc1c(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc(Br)cc1S(N)(=O)=O ZINC001565833678 1071875385 /nfs/dbraw/zinc/87/53/85/1071875385.db2.gz MFLMMCVESZXPOI-RISCZKNCSA-N 1 1 433.372 0.769 20 0 ICADMO Cc1c(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)cc(Br)cc1S(N)(=O)=O ZINC001565833679 1071875641 /nfs/dbraw/zinc/87/56/41/1071875641.db2.gz MFLMMCVESZXPOI-SMDDNHRTSA-N 1 1 433.372 0.769 20 0 ICADMO C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H]1CN(C)CC[N@H+]1C ZINC001565834012 1071875633 /nfs/dbraw/zinc/87/56/33/1071875633.db2.gz OPTANXMWSFRQFX-DOTOQJQBSA-N 1 1 440.566 0.267 20 0 ICADMO C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H]1CN(C)CC[N@@H+]1C ZINC001565834012 1071875627 /nfs/dbraw/zinc/87/56/27/1071875627.db2.gz OPTANXMWSFRQFX-DOTOQJQBSA-N 1 1 440.566 0.267 20 0 ICADMO C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H]1C[N@@H+](C)CCN1C ZINC001565834012 1071875614 /nfs/dbraw/zinc/87/56/14/1071875614.db2.gz OPTANXMWSFRQFX-DOTOQJQBSA-N 1 1 440.566 0.267 20 0 ICADMO C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H]1CN(C)CC[N@H+]1C ZINC001565834013 1071875369 /nfs/dbraw/zinc/87/53/69/1071875369.db2.gz OPTANXMWSFRQFX-NVXWUHKLSA-N 1 1 440.566 0.267 20 0 ICADMO C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H]1CN(C)CC[N@@H+]1C ZINC001565834013 1071875366 /nfs/dbraw/zinc/87/53/66/1071875366.db2.gz OPTANXMWSFRQFX-NVXWUHKLSA-N 1 1 440.566 0.267 20 0 ICADMO C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H]1C[N@@H+](C)CCN1C ZINC001565834013 1071875357 /nfs/dbraw/zinc/87/53/57/1071875357.db2.gz OPTANXMWSFRQFX-NVXWUHKLSA-N 1 1 440.566 0.267 20 0 ICADMO 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ZINC001566337700 1071902960 /nfs/dbraw/zinc/90/29/60/1071902960.db2.gz AVAWZOBQJNIOBA-YOEHRIQHSA-N 1 1 448.301 0.994 20 0 ICADMO COCCCS(=O)(=O)N1CCN(C(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001566344938 1071903681 /nfs/dbraw/zinc/90/36/81/1071903681.db2.gz LBQRTKLODDOURE-NRFANRHFSA-N 1 1 439.578 0.524 20 0 ICADMO COCCCS(=O)(=O)N1CCN(C(=O)[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001566344939 1071903597 /nfs/dbraw/zinc/90/35/97/1071903597.db2.gz LBQRTKLODDOURE-OAQYLSRUSA-N 1 1 439.578 0.524 20 0 ICADMO NS(=O)(=O)c1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)n2ccccc12 ZINC001566447269 1071908030 /nfs/dbraw/zinc/90/80/30/1071908030.db2.gz BLXJEASTMJUSAU-DLBZAZTESA-N 1 1 443.529 0.595 20 0 ICADMO NS(=O)(=O)c1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)n2ccccc12 ZINC001566447270 1071908000 /nfs/dbraw/zinc/90/80/00/1071908000.db2.gz BLXJEASTMJUSAU-IAGOWNOFSA-N 1 1 443.529 0.595 20 0 ICADMO NS(=O)(=O)c1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)n2ccccc12 ZINC001566447271 1071908178 /nfs/dbraw/zinc/90/81/78/1071908178.db2.gz BLXJEASTMJUSAU-IRXDYDNUSA-N 1 1 443.529 0.595 20 0 ICADMO NS(=O)(=O)c1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)n2ccccc12 ZINC001566447272 1071908119 /nfs/dbraw/zinc/90/81/19/1071908119.db2.gz BLXJEASTMJUSAU-SJORKVTESA-N 1 1 443.529 0.595 20 0 ICADMO Cn1nc2c(c1C(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1CO)CS(=O)(=O)CC2 ZINC001566447332 1071908023 /nfs/dbraw/zinc/90/80/23/1071908023.db2.gz CWSUQJADZKCXKZ-AEFFLSMTSA-N 1 1 432.546 0.504 20 0 ICADMO Cn1nc2c(c1C(=O)N[C@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1CO)CS(=O)(=O)CC2 ZINC001566447332 1071908017 /nfs/dbraw/zinc/90/80/17/1071908017.db2.gz CWSUQJADZKCXKZ-AEFFLSMTSA-N 1 1 432.546 0.504 20 0 ICADMO Cn1nc2c(c1C(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1CO)CS(=O)(=O)CC2 ZINC001566447333 1071908192 /nfs/dbraw/zinc/90/81/92/1071908192.db2.gz CWSUQJADZKCXKZ-FUHWJXTLSA-N 1 1 432.546 0.504 20 0 ICADMO Cn1nc2c(c1C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)C[C@H]1CO)CS(=O)(=O)CC2 ZINC001566447333 1071908189 /nfs/dbraw/zinc/90/81/89/1071908189.db2.gz CWSUQJADZKCXKZ-FUHWJXTLSA-N 1 1 432.546 0.504 20 0 ICADMO Cn1nc2c(c1C(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1CO)CS(=O)(=O)CC2 ZINC001566447334 1071908135 /nfs/dbraw/zinc/90/81/35/1071908135.db2.gz CWSUQJADZKCXKZ-SJLPKXTDSA-N 1 1 432.546 0.504 20 0 ICADMO Cn1nc2c(c1C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1CO)CS(=O)(=O)CC2 ZINC001566447334 1071908133 /nfs/dbraw/zinc/90/81/33/1071908133.db2.gz CWSUQJADZKCXKZ-SJLPKXTDSA-N 1 1 432.546 0.504 20 0 ICADMO Cn1nc2c(c1C(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1CO)CS(=O)(=O)CC2 ZINC001566447335 1071908078 /nfs/dbraw/zinc/90/80/78/1071908078.db2.gz CWSUQJADZKCXKZ-WMZOPIPTSA-N 1 1 432.546 0.504 20 0 ICADMO Cn1nc2c(c1C(=O)N[C@H]1CC[N@H+](Cc3ccccc3)C[C@H]1CO)CS(=O)(=O)CC2 ZINC001566447335 1071908076 /nfs/dbraw/zinc/90/80/76/1071908076.db2.gz CWSUQJADZKCXKZ-WMZOPIPTSA-N 1 1 432.546 0.504 20 0 ICADMO CN1CCn2ncc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)c2S1(=O)=O ZINC001566448312 1071908043 /nfs/dbraw/zinc/90/80/43/1071908043.db2.gz RZBQDDWAGIURHO-AEFFLSMTSA-N 1 1 433.534 0.130 20 0 ICADMO CN1CCn2ncc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)c2S1(=O)=O ZINC001566448313 1071908162 /nfs/dbraw/zinc/90/81/62/1071908162.db2.gz RZBQDDWAGIURHO-FUHWJXTLSA-N 1 1 433.534 0.130 20 0 ICADMO CN1CCn2ncc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)c2S1(=O)=O ZINC001566448314 1071908148 /nfs/dbraw/zinc/90/81/48/1071908148.db2.gz RZBQDDWAGIURHO-SJLPKXTDSA-N 1 1 433.534 0.130 20 0 ICADMO CN1CCn2ncc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)c2S1(=O)=O ZINC001566448315 1071908059 /nfs/dbraw/zinc/90/80/59/1071908059.db2.gz RZBQDDWAGIURHO-WMZOPIPTSA-N 1 1 433.534 0.130 20 0 ICADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)CC1 ZINC001566673173 1071912513 /nfs/dbraw/zinc/91/25/13/1071912513.db2.gz AXDNVFAORNDYQG-DLBZAZTESA-N 1 1 432.525 0.967 20 0 ICADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)CC1 ZINC001566673174 1071912471 /nfs/dbraw/zinc/91/24/71/1071912471.db2.gz AXDNVFAORNDYQG-IAGOWNOFSA-N 1 1 432.525 0.967 20 0 ICADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)CC1 ZINC001566673175 1071912596 /nfs/dbraw/zinc/91/25/96/1071912596.db2.gz AXDNVFAORNDYQG-IRXDYDNUSA-N 1 1 432.525 0.967 20 0 ICADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)CC1 ZINC001566673176 1071912682 /nfs/dbraw/zinc/91/26/82/1071912682.db2.gz AXDNVFAORNDYQG-SJORKVTESA-N 1 1 432.525 0.967 20 0 ICADMO CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)CC2=O)cc1 ZINC001566673370 1071912488 /nfs/dbraw/zinc/91/24/88/1071912488.db2.gz GYXAQICEBXCZLQ-FXAWDEMLSA-N 1 1 441.532 0.763 20 0 ICADMO CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)CC2=O)cc1 ZINC001566673371 1071912620 /nfs/dbraw/zinc/91/26/20/1071912620.db2.gz GYXAQICEBXCZLQ-PXNSSMCTSA-N 1 1 441.532 0.763 20 0 ICADMO CC(=O)Nc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)CC2=O)cc1 ZINC001566673372 1071912659 /nfs/dbraw/zinc/91/26/59/1071912659.db2.gz GYXAQICEBXCZLQ-XLIONFOSSA-N 1 1 441.532 0.763 20 0 ICADMO CC(=O)Nc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)CC2=O)cc1 ZINC001566673373 1071912549 /nfs/dbraw/zinc/91/25/49/1071912549.db2.gz GYXAQICEBXCZLQ-YLJYHZDGSA-N 1 1 441.532 0.763 20 0 ICADMO C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001566673394 1071912501 /nfs/dbraw/zinc/91/25/01/1071912501.db2.gz HPRKZPKGVNTLEV-BBWFWOEESA-N 1 1 426.558 0.615 20 0 ICADMO C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001566673395 1071912610 /nfs/dbraw/zinc/91/26/10/1071912610.db2.gz HPRKZPKGVNTLEV-GVDBMIGSSA-N 1 1 426.558 0.615 20 0 ICADMO C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001566673396 1071912669 /nfs/dbraw/zinc/91/26/69/1071912669.db2.gz HPRKZPKGVNTLEV-ULQDDVLXSA-N 1 1 426.558 0.615 20 0 ICADMO C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001566673397 1071912536 /nfs/dbraw/zinc/91/25/36/1071912536.db2.gz HPRKZPKGVNTLEV-YESZJQIVSA-N 1 1 426.558 0.615 20 0 ICADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC001566673911 1071912635 /nfs/dbraw/zinc/91/26/35/1071912635.db2.gz WZVUYIRKTOKFQN-FQEVSTJZSA-N 1 1 448.589 0.924 20 0 ICADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC001566673912 1071912586 /nfs/dbraw/zinc/91/25/86/1071912586.db2.gz WZVUYIRKTOKFQN-HXUWFJFHSA-N 1 1 448.589 0.924 20 0 ICADMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C ZINC001566728914 1071914611 /nfs/dbraw/zinc/91/46/11/1071914611.db2.gz OLIFJYKECAFJFI-INIZCTEOSA-N 1 1 426.558 0.881 20 0 ICADMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C ZINC001566728915 1071914736 /nfs/dbraw/zinc/91/47/36/1071914736.db2.gz OLIFJYKECAFJFI-MRXNPFEDSA-N 1 1 426.558 0.881 20 0 ICADMO COC(=O)CC[N@H+]1CCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)C[C@@H]1C ZINC001566977675 1071919387 /nfs/dbraw/zinc/91/93/87/1071919387.db2.gz RADYZXYRQDYWHY-AWEZNQCLSA-N 1 1 440.522 0.019 20 0 ICADMO COC(=O)CC[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)C[C@@H]1C ZINC001566977675 1071919383 /nfs/dbraw/zinc/91/93/83/1071919383.db2.gz RADYZXYRQDYWHY-AWEZNQCLSA-N 1 1 440.522 0.019 20 0 ICADMO COC(=O)CC[N@H+]1CCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)C[C@H]1C ZINC001566977676 1071919463 /nfs/dbraw/zinc/91/94/63/1071919463.db2.gz RADYZXYRQDYWHY-CQSZACIVSA-N 1 1 440.522 0.019 20 0 ICADMO COC(=O)CC[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)C[C@H]1C ZINC001566977676 1071919462 /nfs/dbraw/zinc/91/94/62/1071919462.db2.gz RADYZXYRQDYWHY-CQSZACIVSA-N 1 1 440.522 0.019 20 0 ICADMO COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CC[N@@H+](CCC(=O)OC)[C@@H](C)C2)c1 ZINC001566977926 1071919400 /nfs/dbraw/zinc/91/94/00/1071919400.db2.gz ZTSPPQAQLAEQJY-INIZCTEOSA-N 1 1 441.550 0.629 20 0 ICADMO COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CC[N@H+](CCC(=O)OC)[C@@H](C)C2)c1 ZINC001566977926 1071919395 /nfs/dbraw/zinc/91/93/95/1071919395.db2.gz ZTSPPQAQLAEQJY-INIZCTEOSA-N 1 1 441.550 0.629 20 0 ICADMO COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CC[N@@H+](CCC(=O)OC)[C@H](C)C2)c1 ZINC001566977927 1071919271 /nfs/dbraw/zinc/91/92/71/1071919271.db2.gz ZTSPPQAQLAEQJY-MRXNPFEDSA-N 1 1 441.550 0.629 20 0 ICADMO COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CC[N@H+](CCC(=O)OC)[C@H](C)C2)c1 ZINC001566977927 1071919265 /nfs/dbraw/zinc/91/92/65/1071919265.db2.gz ZTSPPQAQLAEQJY-MRXNPFEDSA-N 1 1 441.550 0.629 20 0 ICADMO COC[C@@]1(C(=O)N2CC[N@@H+](CCC(=O)OC)[C@@H](C)C2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001566978657 1071919365 /nfs/dbraw/zinc/91/93/65/1071919365.db2.gz MIIZQLVGWIRVKH-HRAATJIYSA-N 1 1 443.541 0.735 20 0 ICADMO COC[C@@]1(C(=O)N2CC[N@H+](CCC(=O)OC)[C@@H](C)C2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001566978657 1071919359 /nfs/dbraw/zinc/91/93/59/1071919359.db2.gz MIIZQLVGWIRVKH-HRAATJIYSA-N 1 1 443.541 0.735 20 0 ICADMO COC[C@]1(C(=O)N2CC[N@@H+](CCC(=O)OC)[C@H](C)C2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001566978658 1071919419 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C[C@H]1CN(C(=O)[C@H]2[C@@H](O)C(=O)N(C)[C@@H]2c2cnn(C)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001569161858 1071972244 /nfs/dbraw/zinc/97/22/44/1071972244.db2.gz GJBQXKJSVPSTBE-QYRPDUKASA-N 1 1 425.533 0.891 20 0 ICADMO Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CCCC1 ZINC001569177302 1071972180 /nfs/dbraw/zinc/97/21/80/1071972180.db2.gz JIURNHKWGVMCPQ-OKILXGFUSA-N 1 1 428.555 0.796 20 0 ICADMO Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CCCC1 ZINC001569177302 1071972175 /nfs/dbraw/zinc/97/21/75/1071972175.db2.gz JIURNHKWGVMCPQ-OKILXGFUSA-N 1 1 428.555 0.796 20 0 ICADMO COc1cc(N2C[C@H](C(=O)N3C[C@@H](C)[N@H+](CCO)[C@@H](C)C3)CC2=O)cc(OC)c1OC ZINC001569177711 1071972867 /nfs/dbraw/zinc/97/28/67/1071972867.db2.gz NCIAQSGMHHNFFG-OWCLPIDISA-N 1 1 435.521 0.979 20 0 ICADMO COc1cc(N2C[C@H](C(=O)N3C[C@@H](C)[N@@H+](CCO)[C@@H](C)C3)CC2=O)cc(OC)c1OC ZINC001569177711 1071972861 /nfs/dbraw/zinc/97/28/61/1071972861.db2.gz NCIAQSGMHHNFFG-OWCLPIDISA-N 1 1 435.521 0.979 20 0 ICADMO COc1cc(N2C[C@@H](C(=O)N3C[C@@H](C)[N@H+](CCO)[C@@H](C)C3)CC2=O)cc(OC)c1OC ZINC001569177712 1071972776 /nfs/dbraw/zinc/97/27/76/1071972776.db2.gz NCIAQSGMHHNFFG-XHSDSOJGSA-N 1 1 435.521 0.979 20 0 ICADMO COc1cc(N2C[C@@H](C(=O)N3C[C@@H](C)[N@@H+](CCO)[C@@H](C)C3)CC2=O)cc(OC)c1OC ZINC001569177712 1071972767 /nfs/dbraw/zinc/97/27/67/1071972767.db2.gz NCIAQSGMHHNFFG-XHSDSOJGSA-N 1 1 435.521 0.979 20 0 ICADMO C[C@@H]1CN(C(=O)Cn2nc(Br)c(Br)n2)C[C@H](C)[N@@H+]1CCO ZINC001569177715 1071972820 /nfs/dbraw/zinc/97/28/20/1071972820.db2.gz NEUQQQSVELXPHH-DTORHVGOSA-N 1 1 425.125 0.717 20 0 ICADMO C[C@@H]1CN(C(=O)Cn2nc(Br)c(Br)n2)C[C@H](C)[N@H+]1CCO ZINC001569177715 1071972815 /nfs/dbraw/zinc/97/28/15/1071972815.db2.gz NEUQQQSVELXPHH-DTORHVGOSA-N 1 1 425.125 0.717 20 0 ICADMO C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C[C@H](C)[N@@H+]1CCO ZINC001569177936 1071972835 /nfs/dbraw/zinc/97/28/35/1071972835.db2.gz QGOXASAEVFDBAU-JZXOWHBKSA-N 1 1 425.551 0.671 20 0 ICADMO C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C[C@H](C)[N@H+]1CCO ZINC001569177936 1071972831 /nfs/dbraw/zinc/97/28/31/1071972831.db2.gz QGOXASAEVFDBAU-JZXOWHBKSA-N 1 1 425.551 0.671 20 0 ICADMO C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C[C@H](C)[N@@H+]1CCO ZINC001569177938 1071972884 /nfs/dbraw/zinc/97/28/84/1071972884.db2.gz QGOXASAEVFDBAU-SOLBZPMBSA-N 1 1 425.551 0.671 20 0 ICADMO C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C[C@H](C)[N@H+]1CCO ZINC001569177938 1071972878 /nfs/dbraw/zinc/97/28/78/1071972878.db2.gz QGOXASAEVFDBAU-SOLBZPMBSA-N 1 1 425.551 0.671 20 0 ICADMO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1 ZINC001569178156 1071972958 /nfs/dbraw/zinc/97/29/58/1071972958.db2.gz ZMANSBYCGROGTJ-GASCZTMLSA-N 1 1 427.523 0.055 20 0 ICADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCCC[C@H]1C(=O)NCC(F)F ZINC001569198248 1071972985 /nfs/dbraw/zinc/97/29/85/1071972985.db2.gz TWDNQDZISGEVOG-HOTGVXAUSA-N 1 1 430.496 0.462 20 0 ICADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCCC[C@H]1C(=O)NCC(F)F ZINC001569198249 1071973367 /nfs/dbraw/zinc/97/33/67/1071973367.db2.gz TWDNQDZISGEVOG-JKSUJKDBSA-N 1 1 430.496 0.462 20 0 ICADMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2nn(C)cc2I)C1 ZINC001569212222 1071973824 /nfs/dbraw/zinc/97/38/24/1071973824.db2.gz FMWALVTWHLWLOO-LLVKDONJSA-N 1 1 434.278 0.916 20 0 ICADMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2nn(C)cc2I)C1 ZINC001569212222 1071973819 /nfs/dbraw/zinc/97/38/19/1071973819.db2.gz FMWALVTWHLWLOO-LLVKDONJSA-N 1 1 434.278 0.916 20 0 ICADMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2nn(C)cc2I)C1 ZINC001569212223 1071973924 /nfs/dbraw/zinc/97/39/24/1071973924.db2.gz FMWALVTWHLWLOO-NSHDSACASA-N 1 1 434.278 0.916 20 0 ICADMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2nn(C)cc2I)C1 ZINC001569212223 1071973915 /nfs/dbraw/zinc/97/39/15/1071973915.db2.gz FMWALVTWHLWLOO-NSHDSACASA-N 1 1 434.278 0.916 20 0 ICADMO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC001569248239 1071975450 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434.356 0.982 20 0 ICADMO NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)sc1Br ZINC001569248987 1071975560 /nfs/dbraw/zinc/97/55/60/1071975560.db2.gz QUAJWMLHHOZAKC-SECBINFHSA-N 1 1 426.358 0.735 20 0 ICADMO NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)sc1Br ZINC001569248987 1071975556 /nfs/dbraw/zinc/97/55/56/1071975556.db2.gz QUAJWMLHHOZAKC-SECBINFHSA-N 1 1 426.358 0.735 20 0 ICADMO NS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)sc1Br ZINC001569248988 1071975432 /nfs/dbraw/zinc/97/54/32/1071975432.db2.gz QUAJWMLHHOZAKC-VIFPVBQESA-N 1 1 426.358 0.735 20 0 ICADMO NS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)sc1Br ZINC001569248988 1071975429 /nfs/dbraw/zinc/97/54/29/1071975429.db2.gz QUAJWMLHHOZAKC-VIFPVBQESA-N 1 1 426.358 0.735 20 0 ICADMO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001569249108 1071975493 /nfs/dbraw/zinc/97/54/93/1071975493.db2.gz UZLNQWLUTPFIPO-KRWDZBQOSA-N 1 1 425.551 0.593 20 0 ICADMO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 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ZINC001569250670 1071976030 /nfs/dbraw/zinc/97/60/30/1071976030.db2.gz CRUMUNHCDRMTPM-HZPDHXFCSA-N 1 1 433.571 0.374 20 0 ICADMO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC001569250670 1071976021 /nfs/dbraw/zinc/97/60/21/1071976021.db2.gz CRUMUNHCDRMTPM-HZPDHXFCSA-N 1 1 433.571 0.374 20 0 ICADMO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC001569250671 1071976104 /nfs/dbraw/zinc/97/61/04/1071976104.db2.gz CRUMUNHCDRMTPM-JKSUJKDBSA-N 1 1 433.571 0.374 20 0 ICADMO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N[C@H]2CCC[N@H+](CCCO)C2)C1 ZINC001569250671 1071976102 /nfs/dbraw/zinc/97/61/02/1071976102.db2.gz CRUMUNHCDRMTPM-JKSUJKDBSA-N 1 1 433.571 0.374 20 0 ICADMO C[N@H+]1CCN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC12CCCCC2 ZINC001569328627 1071979123 /nfs/dbraw/zinc/97/91/23/1071979123.db2.gz RQZWUCLKURYCMX-UHFFFAOYSA-N 1 1 443.591 0.845 20 0 ICADMO C[N@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 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C[C@@H](NC(=O)CNC(=O)c1ccccc1I)[C@@H]1CN(C)CC[N@H+]1C ZINC001586534756 1072212751 /nfs/dbraw/zinc/21/27/51/1072212751.db2.gz PJMXDTIKINFUCC-DOMZBBRYSA-N 1 1 444.317 0.772 20 0 ICADMO C[C@@H](NC(=O)CNC(=O)c1ccccc1I)[C@@H]1CN(C)CC[N@@H+]1C ZINC001586534756 1072212743 /nfs/dbraw/zinc/21/27/43/1072212743.db2.gz PJMXDTIKINFUCC-DOMZBBRYSA-N 1 1 444.317 0.772 20 0 ICADMO C[C@@H](NC(=O)CNC(=O)c1ccccc1I)[C@@H]1C[N@@H+](C)CCN1C ZINC001586534756 1072212729 /nfs/dbraw/zinc/21/27/29/1072212729.db2.gz PJMXDTIKINFUCC-DOMZBBRYSA-N 1 1 444.317 0.772 20 0 ICADMO C[C@@H](NC(=O)CNC(=O)c1ccccc1I)[C@H]1CN(C)CC[N@H+]1C ZINC001586534757 1072213092 /nfs/dbraw/zinc/21/30/92/1072213092.db2.gz PJMXDTIKINFUCC-IUODEOHRSA-N 1 1 444.317 0.772 20 0 ICADMO C[C@@H](NC(=O)CNC(=O)c1ccccc1I)[C@H]1CN(C)CC[N@@H+]1C ZINC001586534757 1072213086 /nfs/dbraw/zinc/21/30/86/1072213086.db2.gz PJMXDTIKINFUCC-IUODEOHRSA-N 1 1 444.317 0.772 20 0 ICADMO C[C@@H](NC(=O)CNC(=O)c1ccccc1I)[C@H]1C[N@@H+](C)CCN1C ZINC001586534757 1072213074 /nfs/dbraw/zinc/21/30/74/1072213074.db2.gz PJMXDTIKINFUCC-IUODEOHRSA-N 1 1 444.317 0.772 20 0 ICADMO C[C@H](NC(=O)CNC(=O)c1ccccc1I)[C@H]1CN(C)CC[N@H+]1C ZINC001586534758 1072212694 /nfs/dbraw/zinc/21/26/94/1072212694.db2.gz PJMXDTIKINFUCC-SWLSCSKDSA-N 1 1 444.317 0.772 20 0 ICADMO C[C@H](NC(=O)CNC(=O)c1ccccc1I)[C@H]1CN(C)CC[N@@H+]1C ZINC001586534758 1072212691 /nfs/dbraw/zinc/21/26/91/1072212691.db2.gz PJMXDTIKINFUCC-SWLSCSKDSA-N 1 1 444.317 0.772 20 0 ICADMO C[C@H](NC(=O)CNC(=O)c1ccccc1I)[C@H]1C[N@@H+](C)CCN1C ZINC001586534758 1072212680 /nfs/dbraw/zinc/21/26/80/1072212680.db2.gz PJMXDTIKINFUCC-SWLSCSKDSA-N 1 1 444.317 0.772 20 0 ICADMO C[C@H](NC(=O)CNC(=O)c1ccccc1I)[C@@H]1CN(C)CC[N@H+]1C ZINC001586534759 1072212914 /nfs/dbraw/zinc/21/29/14/1072212914.db2.gz PJMXDTIKINFUCC-WFASDCNBSA-N 1 1 444.317 0.772 20 0 ICADMO C[C@H](NC(=O)CNC(=O)c1ccccc1I)[C@@H]1CN(C)CC[N@@H+]1C ZINC001586534759 1072212906 /nfs/dbraw/zinc/21/29/06/1072212906.db2.gz PJMXDTIKINFUCC-WFASDCNBSA-N 1 1 444.317 0.772 20 0 ICADMO C[C@H](NC(=O)CNC(=O)c1ccccc1I)[C@@H]1C[N@@H+](C)CCN1C ZINC001586534759 1072212883 /nfs/dbraw/zinc/21/28/83/1072212883.db2.gz PJMXDTIKINFUCC-WFASDCNBSA-N 1 1 444.317 0.772 20 0 ICADMO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N[C@@H](C)[C@H]1CN(C)CCN1C ZINC001586538293 1072213765 /nfs/dbraw/zinc/21/37/65/1072213765.db2.gz DXXLEVKKWQEAPW-FXAWDEMLSA-N 1 1 439.626 0.589 20 0 ICADMO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001586538293 1072213761 /nfs/dbraw/zinc/21/37/61/1072213761.db2.gz DXXLEVKKWQEAPW-FXAWDEMLSA-N 1 1 439.626 0.589 20 0 ICADMO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N[C@@H](C)[C@@H]1CN(C)CCN1C ZINC001586538294 1072213803 /nfs/dbraw/zinc/21/38/03/1072213803.db2.gz DXXLEVKKWQEAPW-PXNSSMCTSA-N 1 1 439.626 0.589 20 0 ICADMO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001586538294 1072213800 /nfs/dbraw/zinc/21/38/00/1072213800.db2.gz DXXLEVKKWQEAPW-PXNSSMCTSA-N 1 1 439.626 0.589 20 0 ICADMO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N[C@H](C)[C@@H]1CN(C)CCN1C ZINC001586538295 1072213545 /nfs/dbraw/zinc/21/35/45/1072213545.db2.gz DXXLEVKKWQEAPW-XLIONFOSSA-N 1 1 439.626 0.589 20 0 ICADMO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001586538295 1072213540 /nfs/dbraw/zinc/21/35/40/1072213540.db2.gz DXXLEVKKWQEAPW-XLIONFOSSA-N 1 1 439.626 0.589 20 0 ICADMO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N[C@H](C)[C@H]1CN(C)CCN1C ZINC001586538296 1072213665 /nfs/dbraw/zinc/21/36/65/1072213665.db2.gz DXXLEVKKWQEAPW-YLJYHZDGSA-N 1 1 439.626 0.589 20 0 ICADMO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001586538296 1072213660 /nfs/dbraw/zinc/21/36/60/1072213660.db2.gz DXXLEVKKWQEAPW-YLJYHZDGSA-N 1 1 439.626 0.589 20 0 ICADMO CCOc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)cc1OCC ZINC001586538732 1072213641 /nfs/dbraw/zinc/21/36/41/1072213641.db2.gz OXRATYWDFJSMGN-DOTOQJQBSA-N 1 1 442.582 0.513 20 0 ICADMO CCOc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)cc1OCC ZINC001586538732 1072213633 /nfs/dbraw/zinc/21/36/33/1072213633.db2.gz OXRATYWDFJSMGN-DOTOQJQBSA-N 1 1 442.582 0.513 20 0 ICADMO CCOc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)cc1OCC ZINC001586538732 1072213626 /nfs/dbraw/zinc/21/36/26/1072213626.db2.gz OXRATYWDFJSMGN-DOTOQJQBSA-N 1 1 442.582 0.513 20 0 ICADMO CCOc1ccc(S(=O)(=O)NCC(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)cc1OCC ZINC001586538733 1072213932 /nfs/dbraw/zinc/21/39/32/1072213932.db2.gz OXRATYWDFJSMGN-NVXWUHKLSA-N 1 1 442.582 0.513 20 0 ICADMO CCOc1ccc(S(=O)(=O)NCC(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)cc1OCC ZINC001586538733 1072213922 /nfs/dbraw/zinc/21/39/22/1072213922.db2.gz OXRATYWDFJSMGN-NVXWUHKLSA-N 1 1 442.582 0.513 20 0 ICADMO CCOc1ccc(S(=O)(=O)NCC(=O)N[C@H](C)[C@H]2CN(C)CCN2C)cc1OCC ZINC001586538733 1072213915 /nfs/dbraw/zinc/21/39/15/1072213915.db2.gz OXRATYWDFJSMGN-NVXWUHKLSA-N 1 1 442.582 0.513 20 0 ICADMO CCOc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)cc1OCC ZINC001586538734 1072213885 /nfs/dbraw/zinc/21/38/85/1072213885.db2.gz OXRATYWDFJSMGN-RDJZCZTQSA-N 1 1 442.582 0.513 20 0 ICADMO CCOc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)cc1OCC ZINC001586538734 1072213876 /nfs/dbraw/zinc/21/38/76/1072213876.db2.gz OXRATYWDFJSMGN-RDJZCZTQSA-N 1 1 442.582 0.513 20 0 ICADMO CCOc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)cc1OCC ZINC001586538734 1072213871 /nfs/dbraw/zinc/21/38/71/1072213871.db2.gz OXRATYWDFJSMGN-RDJZCZTQSA-N 1 1 442.582 0.513 20 0 ICADMO CCOc1ccc(S(=O)(=O)NCC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)cc1OCC ZINC001586538735 1072213705 /nfs/dbraw/zinc/21/37/05/1072213705.db2.gz OXRATYWDFJSMGN-WBVHZDCISA-N 1 1 442.582 0.513 20 0 ICADMO CCOc1ccc(S(=O)(=O)NCC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)cc1OCC ZINC001586538735 1072213697 /nfs/dbraw/zinc/21/36/97/1072213697.db2.gz OXRATYWDFJSMGN-WBVHZDCISA-N 1 1 442.582 0.513 20 0 ICADMO CCOc1ccc(S(=O)(=O)NCC(=O)N[C@H](C)[C@@H]2CN(C)CCN2C)cc1OCC ZINC001586538735 1072213690 /nfs/dbraw/zinc/21/36/90/1072213690.db2.gz OXRATYWDFJSMGN-WBVHZDCISA-N 1 1 442.582 0.513 20 0 ICADMO C[C@@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)[C@@H]1CN(C)CC[N@H+]1C ZINC001586538814 1072213787 /nfs/dbraw/zinc/21/37/87/1072213787.db2.gz QTYSKZYZVOEJPJ-DOMZBBRYSA-N 1 1 425.327 0.925 20 0 ICADMO C[C@@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)[C@@H]1CN(C)CC[N@@H+]1C ZINC001586538814 1072213783 /nfs/dbraw/zinc/21/37/83/1072213783.db2.gz QTYSKZYZVOEJPJ-DOMZBBRYSA-N 1 1 425.327 0.925 20 0 ICADMO C[C@@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)[C@@H]1CN(C)CCN1C ZINC001586538814 1072213780 /nfs/dbraw/zinc/21/37/80/1072213780.db2.gz QTYSKZYZVOEJPJ-DOMZBBRYSA-N 1 1 425.327 0.925 20 0 ICADMO C[C@@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)[C@H]1CN(C)CC[N@H+]1C ZINC001586538815 1072213531 /nfs/dbraw/zinc/21/35/31/1072213531.db2.gz QTYSKZYZVOEJPJ-IUODEOHRSA-N 1 1 425.327 0.925 20 0 ICADMO C[C@@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)[C@H]1CN(C)CC[N@@H+]1C ZINC001586538815 1072213528 /nfs/dbraw/zinc/21/35/28/1072213528.db2.gz QTYSKZYZVOEJPJ-IUODEOHRSA-N 1 1 425.327 0.925 20 0 ICADMO C[C@@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)[C@H]1CN(C)CCN1C ZINC001586538815 1072213524 /nfs/dbraw/zinc/21/35/24/1072213524.db2.gz QTYSKZYZVOEJPJ-IUODEOHRSA-N 1 1 425.327 0.925 20 0 ICADMO C[C@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)[C@H]1CN(C)CC[N@H+]1C ZINC001586538816 1072214580 /nfs/dbraw/zinc/21/45/80/1072214580.db2.gz QTYSKZYZVOEJPJ-SWLSCSKDSA-N 1 1 425.327 0.925 20 0 ICADMO C[C@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)[C@H]1CN(C)CC[N@@H+]1C ZINC001586538816 1072214575 /nfs/dbraw/zinc/21/45/75/1072214575.db2.gz QTYSKZYZVOEJPJ-SWLSCSKDSA-N 1 1 425.327 0.925 20 0 ICADMO C[C@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)[C@H]1C[N@@H+](C)CCN1C ZINC001586538816 1072214561 /nfs/dbraw/zinc/21/45/61/1072214561.db2.gz QTYSKZYZVOEJPJ-SWLSCSKDSA-N 1 1 425.327 0.925 20 0 ICADMO C[C@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)[C@@H]1CN(C)CC[N@H+]1C ZINC001586538817 1072214435 /nfs/dbraw/zinc/21/44/35/1072214435.db2.gz QTYSKZYZVOEJPJ-WFASDCNBSA-N 1 1 425.327 0.925 20 0 ICADMO C[C@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)[C@@H]1CN(C)CC[N@@H+]1C ZINC001586538817 1072214426 /nfs/dbraw/zinc/21/44/26/1072214426.db2.gz QTYSKZYZVOEJPJ-WFASDCNBSA-N 1 1 425.327 0.925 20 0 ICADMO C[C@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)[C@@H]1C[N@@H+](C)CCN1C ZINC001586538817 1072214414 /nfs/dbraw/zinc/21/44/14/1072214414.db2.gz QTYSKZYZVOEJPJ-WFASDCNBSA-N 1 1 425.327 0.925 20 0 ICADMO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CC[C@H]4C[N@H+](C)C[C@H]43)cc2)CC1 ZINC001586585897 1072219647 /nfs/dbraw/zinc/21/96/47/1072219647.db2.gz LRWFYKRBYVHJEA-DFQSSKMNSA-N 1 1 434.562 0.609 20 0 ICADMO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CC[C@@H]4C[N@H+](C)C[C@@H]34)cc2)CC1 ZINC001586585898 1072219724 /nfs/dbraw/zinc/21/97/24/1072219724.db2.gz LRWFYKRBYVHJEA-MISYRCLQSA-N 1 1 434.562 0.609 20 0 ICADMO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CC[C@H]4C[N@H+](C)C[C@@H]43)cc2)CC1 ZINC001586585899 1072219565 /nfs/dbraw/zinc/21/95/65/1072219565.db2.gz LRWFYKRBYVHJEA-YSIASYRMSA-N 1 1 434.562 0.609 20 0 ICADMO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CC[C@@H]4C[N@H+](C)C[C@H]34)cc2)CC1 ZINC001586585900 1072219580 /nfs/dbraw/zinc/21/95/80/1072219580.db2.gz LRWFYKRBYVHJEA-YZGWKJHDSA-N 1 1 434.562 0.609 20 0 ICADMO Cc1ccccc1[C@@H]1CN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC[NH2+]1 ZINC001586590535 1072219700 /nfs/dbraw/zinc/21/97/00/1072219700.db2.gz LOZLBSAONTWQDR-INIZCTEOSA-N 1 1 430.486 0.723 20 0 ICADMO Cc1ccccc1[C@H]1CN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC[NH2+]1 ZINC001586590536 1072219786 /nfs/dbraw/zinc/21/97/86/1072219786.db2.gz LOZLBSAONTWQDR-MRXNPFEDSA-N 1 1 430.486 0.723 20 0 ICADMO Cc1c(NC(=O)CSCC(=O)NCC[N@H+]2CC[C@H](O)C2)c(=O)n(-c2ccccc2)n1C ZINC001586617141 1072222088 /nfs/dbraw/zinc/22/20/88/1072222088.db2.gz CGLZVINEHSTEPF-KRWDZBQOSA-N 1 1 447.561 0.339 20 0 ICADMO O=C(CN1CCN(Cc2ccc(Br)cc2F)CC1)NCC[N@@H+]1CC[C@H](O)C1 ZINC001586617261 1072222227 /nfs/dbraw/zinc/22/22/27/1072222227.db2.gz GWQVRHHSMXPOER-KRWDZBQOSA-N 1 1 443.361 0.889 20 0 ICADMO O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)NCC[N@@H+]1CC[C@H](O)C1 ZINC001586617332 1072222113 /nfs/dbraw/zinc/22/21/13/1072222113.db2.gz JLMBUVWJRIJNQS-AVRDEDQJSA-N 1 1 436.512 0.683 20 0 ICADMO O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)NCC[N@@H+]1CC[C@H](O)C1 ZINC001586617333 1072222278 /nfs/dbraw/zinc/22/22/78/1072222278.db2.gz JLMBUVWJRIJNQS-PGRDOPGGSA-N 1 1 436.512 0.683 20 0 ICADMO CCn1c(CCC(=O)NCC[N@H+]2CC[C@H](O)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC001586617429 1072222737 /nfs/dbraw/zinc/22/27/37/1072222737.db2.gz MLLJZIQPSLZWEO-HNNXBMFYSA-N 1 1 437.566 0.422 20 0 ICADMO O=C(NCC[N@H+]1CC[C@H](O)C1)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO ZINC001586617872 1072222665 /nfs/dbraw/zinc/22/26/65/1072222665.db2.gz VLEPJRSUDCQHPJ-CABCVRRESA-N 1 1 431.580 0.470 20 0 ICADMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO ZINC001586617872 1072222662 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/nfs/dbraw/zinc/27/31/83/1072273183.db2.gz SPJHFTZFRDZCCN-AXHMDWHKSA-N 1 1 427.567 0.821 20 0 ICADMO C[N@H+]1CC[C@@H]2CN(C(=O)[C@@]34CN(C(=O)OC(C)(C)C)C[C@@H]3CS(=O)(=O)C4)CC[C@@H]21 ZINC001587504037 1072273082 /nfs/dbraw/zinc/27/30/82/1072273082.db2.gz SPJHFTZFRDZCCN-IHSNIMORSA-N 1 1 427.567 0.821 20 0 ICADMO C[N@H+]1CC[C@H]2CN(C(=O)[C@@]34CN(C(=O)OC(C)(C)C)C[C@@H]3CS(=O)(=O)C4)CC[C@@H]21 ZINC001587504038 1072273151 /nfs/dbraw/zinc/27/31/51/1072273151.db2.gz SPJHFTZFRDZCCN-KSVNGYGVSA-N 1 1 427.567 0.821 20 0 ICADMO C[N@H+]1CC[C@H]2CN(C(=O)[C@@]34CN(C(=O)OC(C)(C)C)C[C@@H]3CS(=O)(=O)C4)CC[C@H]21 ZINC001587504039 1072273010 /nfs/dbraw/zinc/27/30/10/1072273010.db2.gz SPJHFTZFRDZCCN-QCBUCWTNSA-N 1 1 427.567 0.821 20 0 ICADMO C[NH+](C)CCN(C(=O)[C@@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001587531344 1072273862 /nfs/dbraw/zinc/27/38/62/1072273862.db2.gz KKRDETDXXQBRIL-BBRMVZONSA-N 1 1 441.554 0.779 20 0 ICADMO 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ZINC001588114131 1072318628 /nfs/dbraw/zinc/31/86/28/1072318628.db2.gz PEILYNIGCLHIQM-UHFFFAOYSA-N 1 1 439.563 0.589 20 0 ICADMO COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC001588123277 1072319313 /nfs/dbraw/zinc/31/93/13/1072319313.db2.gz CYNJKSXKGCCLAB-UHFFFAOYSA-N 1 1 444.985 0.675 20 0 ICADMO COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC001588123575 1072319127 /nfs/dbraw/zinc/31/91/27/1072319127.db2.gz NFFOMIJBGKKNCA-KBXCAEBGSA-N 1 1 431.942 0.637 20 0 ICADMO COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC001588123576 1072319279 /nfs/dbraw/zinc/31/92/79/1072319279.db2.gz NFFOMIJBGKKNCA-KDOFPFPSSA-N 1 1 431.942 0.637 20 0 ICADMO COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC001588123577 1072319001 /nfs/dbraw/zinc/31/90/01/1072319001.db2.gz NFFOMIJBGKKNCA-KSSFIOAISA-N 1 1 431.942 0.637 20 0 ICADMO COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC001588123578 1072319052 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OIUITVIZRJRJSR-INIZCTEOSA-N 1 1 440.566 0.949 20 0 ICADMO C[N@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(S(N)(=O)=O)CC1 ZINC001588679517 1072335615 /nfs/dbraw/zinc/33/56/15/1072335615.db2.gz OIUITVIZRJRJSR-MRXNPFEDSA-N 1 1 440.566 0.949 20 0 ICADMO Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC001588853527 1072342828 /nfs/dbraw/zinc/34/28/28/1072342828.db2.gz YSCWFCXJPKROKA-IBGZPJMESA-N 1 1 438.594 0.576 20 0 ICADMO Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC001588853528 1072342905 /nfs/dbraw/zinc/34/29/05/1072342905.db2.gz YSCWFCXJPKROKA-LJQANCHMSA-N 1 1 438.594 0.576 20 0 ICADMO CC(=O)NC[C@@H]1CCn2ncc(C(=O)N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)c2C1 ZINC001588860719 1072342784 /nfs/dbraw/zinc/34/27/84/1072342784.db2.gz AOVBNBDYJPIKSQ-MOPGFXCFSA-N 1 1 432.569 0.108 20 0 ICADMO CC(=O)NC[C@H]1CCn2ncc(C(=O)N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)c2C1 ZINC001588860720 1072343051 /nfs/dbraw/zinc/34/30/51/1072343051.db2.gz AOVBNBDYJPIKSQ-OALUTQOASA-N 1 1 432.569 0.108 20 0 ICADMO CC(=O)NC[C@H]1CCn2ncc(C(=O)N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)c2C1 ZINC001588860721 1072343476 /nfs/dbraw/zinc/34/34/76/1072343476.db2.gz AOVBNBDYJPIKSQ-RBUKOAKNSA-N 1 1 432.569 0.108 20 0 ICADMO CC(=O)NC[C@@H]1CCn2ncc(C(=O)N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)c2C1 ZINC001588860722 1072343669 /nfs/dbraw/zinc/34/36/69/1072343669.db2.gz AOVBNBDYJPIKSQ-RTBURBONSA-N 1 1 432.569 0.108 20 0 ICADMO CC1CCC(NS(=O)(=O)CC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001588860737 1072343870 /nfs/dbraw/zinc/34/38/70/1072343870.db2.gz AUUFQJVSLUUWTM-ACBHZAAOSA-N 1 1 430.615 0.397 20 0 ICADMO CC1CCC(NS(=O)(=O)CC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001588860738 1072343334 /nfs/dbraw/zinc/34/33/34/1072343334.db2.gz AUUFQJVSLUUWTM-CTWPCTMYSA-N 1 1 430.615 0.397 20 0 ICADMO CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H]1CCC[N@@H+](CCN3CCOCC3)C1)C2=O ZINC001588861271 1072343632 /nfs/dbraw/zinc/34/36/32/1072343632.db2.gz DQGIBKQMLVLXOZ-FVRICEFQSA-N 1 1 449.596 0.790 20 0 ICADMO CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H]1CCC[N@@H+](CCN3CCOCC3)C1)C2=O ZINC001588861272 1072343438 /nfs/dbraw/zinc/34/34/38/1072343438.db2.gz DQGIBKQMLVLXOZ-KPRXVCGWSA-N 1 1 449.596 0.790 20 0 ICADMO CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC001588861717 1072343509 /nfs/dbraw/zinc/34/35/09/1072343509.db2.gz FKNIGFDYOHMGEX-IBGZPJMESA-N 1 1 438.594 0.440 20 0 ICADMO CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC001588861719 1072343397 /nfs/dbraw/zinc/34/33/97/1072343397.db2.gz FKNIGFDYOHMGEX-LJQANCHMSA-N 1 1 438.594 0.440 20 0 ICADMO CC(C)(C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1C(=O)c2ccccc2C1=O ZINC001588861897 1072343750 /nfs/dbraw/zinc/34/37/50/1072343750.db2.gz HBCBOIBGQRHRNK-KRWDZBQOSA-N 1 1 428.533 0.974 20 0 ICADMO CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1C(=O)c2ccccc2C1=O ZINC001588861898 1072343553 /nfs/dbraw/zinc/34/35/53/1072343553.db2.gz HBCBOIBGQRHRNK-QGZVFWFLSA-N 1 1 428.533 0.974 20 0 ICADMO Cc1c(Br)cc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c(=O)n1C ZINC001588862546 1072343366 /nfs/dbraw/zinc/34/33/66/1072343366.db2.gz HTEXPKWMFKGOGE-HNNXBMFYSA-N 1 1 441.370 0.983 20 0 ICADMO Cc1c(Br)cc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)c(=O)n1C ZINC001588862547 1072343795 /nfs/dbraw/zinc/34/37/95/1072343795.db2.gz HTEXPKWMFKGOGE-OAHLLOKOSA-N 1 1 441.370 0.983 20 0 ICADMO CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)N[C@H]1CCC[N@@H+](CCN3CCOCC3)C1)C2=O ZINC001588862879 1072343811 /nfs/dbraw/zinc/34/38/11/1072343811.db2.gz JQCIRERKCAFLRE-FDDCHVKYSA-N 1 1 449.596 0.790 20 0 ICADMO CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)N[C@@H]1CCC[N@@H+](CCN3CCOCC3)C1)C2=O ZINC001588862880 1072343854 /nfs/dbraw/zinc/34/38/54/1072343854.db2.gz JQCIRERKCAFLRE-JPYJTQIMSA-N 1 1 449.596 0.790 20 0 ICADMO CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)N[C@H]1CCC[N@@H+](CCN3CCOCC3)C1)C2=O ZINC001588862881 1072343589 /nfs/dbraw/zinc/34/35/89/1072343589.db2.gz JQCIRERKCAFLRE-MBSDFSHPSA-N 1 1 449.596 0.790 20 0 ICADMO CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)N[C@@H]1CCC[N@@H+](CCN3CCOCC3)C1)C2=O ZINC001588862882 1072343313 /nfs/dbraw/zinc/34/33/13/1072343313.db2.gz JQCIRERKCAFLRE-WZONZLPQSA-N 1 1 449.596 0.790 20 0 ICADMO O=C(Cn1cc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)cn1)NC1CCCC1 ZINC001588863180 1072343773 /nfs/dbraw/zinc/34/37/73/1072343773.db2.gz MLOHDRKVORWJNJ-FQEVSTJZSA-N 1 1 432.569 0.468 20 0 ICADMO O=C(Cn1cc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)cn1)NC1CCCC1 ZINC001588863183 1072343842 /nfs/dbraw/zinc/34/38/42/1072343842.db2.gz MLOHDRKVORWJNJ-HXUWFJFHSA-N 1 1 432.569 0.468 20 0 ICADMO COc1ccc(CN2C[C@@H](C(=O)N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)CC2=O)cc1 ZINC001588863208 1072344394 /nfs/dbraw/zinc/34/43/94/1072344394.db2.gz MRHIHHGFEGNQSH-LEWJYISDSA-N 1 1 444.576 0.957 20 0 ICADMO COc1ccc(CN2C[C@H](C(=O)N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)CC2=O)cc1 ZINC001588863210 1072344255 /nfs/dbraw/zinc/34/42/55/1072344255.db2.gz MRHIHHGFEGNQSH-NHCUHLMSSA-N 1 1 444.576 0.957 20 0 ICADMO COc1ccc(CN2C[C@H](C(=O)N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)CC2=O)cc1 ZINC001588863211 1072344482 /nfs/dbraw/zinc/34/44/82/1072344482.db2.gz MRHIHHGFEGNQSH-RTWAWAEBSA-N 1 1 444.576 0.957 20 0 ICADMO COc1ccc(CN2C[C@@H](C(=O)N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)CC2=O)cc1 ZINC001588863212 1072344329 /nfs/dbraw/zinc/34/43/29/1072344329.db2.gz MRHIHHGFEGNQSH-SFTDATJTSA-N 1 1 444.576 0.957 20 0 ICADMO CN(C)S(=O)(=O)c1ccc(CC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC001588863395 1072344311 /nfs/dbraw/zinc/34/43/11/1072344311.db2.gz OAOVLQGVGBMTMW-IBGZPJMESA-N 1 1 438.594 0.392 20 0 ICADMO CN(C)S(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC001588863396 1072344418 /nfs/dbraw/zinc/34/44/18/1072344418.db2.gz OAOVLQGVGBMTMW-LJQANCHMSA-N 1 1 438.594 0.392 20 0 ICADMO O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1=NN(c2ccc(F)cc2)C(=O)CC1=O ZINC001588863405 1072344295 /nfs/dbraw/zinc/34/42/95/1072344295.db2.gz OGEDMMKWFDCZBI-KRWDZBQOSA-N 1 1 445.495 0.400 20 0 ICADMO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C1=NN(c2ccc(F)cc2)C(=O)CC1=O ZINC001588863405 1072344292 /nfs/dbraw/zinc/34/42/92/1072344292.db2.gz OGEDMMKWFDCZBI-KRWDZBQOSA-N 1 1 445.495 0.400 20 0 ICADMO O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1=NN(c2ccc(F)cc2)C(=O)CC1=O ZINC001588863406 1072344226 /nfs/dbraw/zinc/34/42/26/1072344226.db2.gz OGEDMMKWFDCZBI-QGZVFWFLSA-N 1 1 445.495 0.400 20 0 ICADMO O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C1=NN(c2ccc(F)cc2)C(=O)CC1=O ZINC001588863406 1072344220 /nfs/dbraw/zinc/34/42/20/1072344220.db2.gz OGEDMMKWFDCZBI-QGZVFWFLSA-N 1 1 445.495 0.400 20 0 ICADMO O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1[nH]ncc1I ZINC001588863409 1072344555 /nfs/dbraw/zinc/34/45/55/1072344555.db2.gz OHJWYBZYAPKUQN-GFCCVEGCSA-N 1 1 433.294 0.541 20 0 ICADMO O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1[nH]ncc1I ZINC001588863410 1072344522 /nfs/dbraw/zinc/34/45/22/1072344522.db2.gz OHJWYBZYAPKUQN-LBPRGKRZSA-N 1 1 433.294 0.541 20 0 ICADMO O=C(CNC(=O)c1cc(-c2ccccc2)on1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001588863647 1072344189 /nfs/dbraw/zinc/34/41/89/1072344189.db2.gz QGFSNUAKZKZBEK-IBGZPJMESA-N 1 1 441.532 0.984 20 0 ICADMO O=C(CNC(=O)c1cc(-c2ccccc2)on1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001588863648 1072344594 /nfs/dbraw/zinc/34/45/94/1072344594.db2.gz QGFSNUAKZKZBEK-LJQANCHMSA-N 1 1 441.532 0.984 20 0 ICADMO O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1CCN(C(=O)c2cccnc2)CC1 ZINC001588863693 1072344450 /nfs/dbraw/zinc/34/44/50/1072344450.db2.gz QUYOTYHEGUVDOW-NRFANRHFSA-N 1 1 429.565 0.847 20 0 ICADMO O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1CCN(C(=O)c2cccnc2)CC1 ZINC001588863696 1072344154 /nfs/dbraw/zinc/34/41/54/1072344154.db2.gz QUYOTYHEGUVDOW-OAQYLSRUSA-N 1 1 429.565 0.847 20 0 ICADMO COCCN(CC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001588863745 1072344635 /nfs/dbraw/zinc/34/46/35/1072344635.db2.gz ROAOEHFNORPYOP-GOSISDBHSA-N 1 1 428.574 0.783 20 0 ICADMO COCCN(CC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001588863746 1072344368 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/nfs/dbraw/zinc/34/49/05/1072344905.db2.gz WNXAYQHTHKFODR-GOSISDBHSA-N 1 1 448.564 0.716 20 0 ICADMO CC(C)(C)OC(=O)Cn1cccc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1=O ZINC001588864015 1072345334 /nfs/dbraw/zinc/34/53/34/1072345334.db2.gz WNXAYQHTHKFODR-SFHVURJKSA-N 1 1 448.564 0.716 20 0 ICADMO CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1 ZINC001588864134 1072345203 /nfs/dbraw/zinc/34/52/03/1072345203.db2.gz YLIGULYFEBLQTD-INIZCTEOSA-N 1 1 427.571 0.228 20 0 ICADMO CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1 ZINC001588864135 1072344998 /nfs/dbraw/zinc/34/49/98/1072344998.db2.gz YLIGULYFEBLQTD-MRXNPFEDSA-N 1 1 427.571 0.228 20 0 ICADMO Cc1nc(S(=O)(=O)NCCC(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)cn1C ZINC001589038048 1072351060 /nfs/dbraw/zinc/35/10/60/1072351060.db2.gz JVZHHVYUTWLOKK-UHFFFAOYSA-N 1 1 429.587 0.746 20 0 ICADMO CC(C)(C)OCCC[NH+]1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC001589040668 1072350821 /nfs/dbraw/zinc/35/08/21/1072350821.db2.gz YOASRKVHSZVETE-INIZCTEOSA-N 1 1 442.582 0.501 20 0 ICADMO CC(C)(C)OCCC[NH+]1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC001589040669 1072350995 /nfs/dbraw/zinc/35/09/95/1072350995.db2.gz YOASRKVHSZVETE-MRXNPFEDSA-N 1 1 442.582 0.501 20 0 ICADMO Cc1nc(S(=O)(=O)NCC(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)cn1C ZINC001589081744 1072352497 /nfs/dbraw/zinc/35/24/97/1072352497.db2.gz BROSSHHHSYAVPW-GOSISDBHSA-N 1 1 432.550 0.930 20 0 ICADMO Cc1nc(S(=O)(=O)NCC(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)cn1C ZINC001589081745 1072352406 /nfs/dbraw/zinc/35/24/06/1072352406.db2.gz BROSSHHHSYAVPW-SFHVURJKSA-N 1 1 432.550 0.930 20 0 ICADMO Cn1ncnc1C1(O)CN(C(=O)[C@H](C[N@@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)C1 ZINC001589653115 1072357033 /nfs/dbraw/zinc/35/70/33/1072357033.db2.gz ZJCMUDKEJYJIFJ-KRWDZBQOSA-N 1 1 444.536 0.870 20 0 ICADMO Cn1ncnc1C1(O)CN(C(=O)[C@@H](C[N@@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)C1 ZINC001589653116 1072357375 /nfs/dbraw/zinc/35/73/75/1072357375.db2.gz ZJCMUDKEJYJIFJ-QGZVFWFLSA-N 1 1 444.536 0.870 20 0 ICADMO CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)cc1 ZINC001593720920 1072361225 /nfs/dbraw/zinc/36/12/25/1072361225.db2.gz AJDJFAQRBHMUOY-RBUKOAKNSA-N 1 1 437.562 0.957 20 0 ICADMO COC(=O)[C@H](CCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO)NC(=O)OCc1ccccc1 ZINC001593720967 1072361076 /nfs/dbraw/zinc/36/10/76/1072361076.db2.gz BWBWTTNOCCHOTQ-OTWHNJEPSA-N 1 1 433.505 0.902 20 0 ICADMO O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001593721579 1072361320 /nfs/dbraw/zinc/36/13/20/1072361320.db2.gz ORDHYNSCQLMWLJ-JKSUJKDBSA-N 1 1 439.534 0.184 20 0 ICADMO CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 ZINC001593767294 1072362242 /nfs/dbraw/zinc/36/22/42/1072362242.db2.gz AHRQWWOGGDJPFA-HNNXBMFYSA-N 1 1 435.506 0.290 20 0 ICADMO CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NC)cc1 ZINC001593767339 1072362371 /nfs/dbraw/zinc/36/23/71/1072362371.db2.gz AZKVOOJWPNKDTC-DLBZAZTESA-N 1 1 431.518 0.797 20 0 ICADMO CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NC)cc1 ZINC001593767341 1072362079 /nfs/dbraw/zinc/36/20/79/1072362079.db2.gz AZKVOOJWPNKDTC-IRXDYDNUSA-N 1 1 431.518 0.797 20 0 ICADMO CCN1C(=O)CO[C@H](C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)[C@H]1c1ccnn1C ZINC001594930219 1072377655 /nfs/dbraw/zinc/37/76/55/1072377655.db2.gz KINMWOJUVRMEJX-YADHBBJMSA-N 1 1 440.548 0.647 20 0 ICADMO Cc1nc(S(=O)(=O)NCC(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)cn1C ZINC001594973550 1072378783 /nfs/dbraw/zinc/37/87/83/1072378783.db2.gz GWESJSMJNTYESB-NQIIRXRSSA-N 1 1 431.562 0.987 20 0 ICADMO C[C@]12CN(C(=O)CCn3cc(C(N)=O)c(=O)[nH]c3=O)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001594974744 1072378816 /nfs/dbraw/zinc/37/88/16/1072378816.db2.gz QGPAXBYCKHLLIS-ZHRRBRCNSA-N 1 1 425.489 0.418 20 0 ICADMO CN(C)c1[nH+]cnc2c1cc(C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1)n2C ZINC001595169324 1072381576 /nfs/dbraw/zinc/38/15/76/1072381576.db2.gz RKGZSUFUZYMQLY-UHFFFAOYSA-N 1 1 437.504 0.539 20 0 ICADMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(CS(=O)(=O)N(C)C)cc2)C1 ZINC001595197573 1072382899 /nfs/dbraw/zinc/38/28/99/1072382899.db2.gz ULZYTGDENIFQRD-GOSISDBHSA-N 1 1 425.551 0.969 20 0 ICADMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(CS(=O)(=O)N(C)C)cc2)C1 ZINC001595197573 1072382894 /nfs/dbraw/zinc/38/28/94/1072382894.db2.gz ULZYTGDENIFQRD-GOSISDBHSA-N 1 1 425.551 0.969 20 0 ICADMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(CS(=O)(=O)N(C)C)cc2)C1 ZINC001595197574 1072382927 /nfs/dbraw/zinc/38/29/27/1072382927.db2.gz ULZYTGDENIFQRD-SFHVURJKSA-N 1 1 425.551 0.969 20 0 ICADMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2ccc(CS(=O)(=O)N(C)C)cc2)C1 ZINC001595197574 1072382920 /nfs/dbraw/zinc/38/29/20/1072382920.db2.gz ULZYTGDENIFQRD-SFHVURJKSA-N 1 1 425.551 0.969 20 0 ICADMO C[NH+]1CCN(CCCCNC(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CC1 ZINC001595416036 1072386439 /nfs/dbraw/zinc/38/64/39/1072386439.db2.gz CKCSEKVDURZURP-GOSISDBHSA-N 1 1 439.601 0.894 20 0 ICADMO C[NH+]1CCN(CCCCNC(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CC1 ZINC001595416037 1072386301 /nfs/dbraw/zinc/38/63/01/1072386301.db2.gz CKCSEKVDURZURP-SFHVURJKSA-N 1 1 439.601 0.894 20 0 ICADMO COC[C@]1(C(=O)NCCCCN2CC[NH+](C)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001595416745 1072386382 /nfs/dbraw/zinc/38/63/82/1072386382.db2.gz KNVPHJYIZXJUSF-NRFANRHFSA-N 1 1 428.574 0.783 20 0 ICADMO COC[C@@]1(C(=O)NCCCCN2CC[NH+](C)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001595416746 1072386230 /nfs/dbraw/zinc/38/62/30/1072386230.db2.gz KNVPHJYIZXJUSF-OAQYLSRUSA-N 1 1 428.574 0.783 20 0 ICADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC001595436470 1072386893 /nfs/dbraw/zinc/38/68/93/1072386893.db2.gz XRMVZKKAKRKDOA-AUSIDOKSSA-N 1 1 438.532 0.762 20 0 ICADMO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC001595436470 1072386885 /nfs/dbraw/zinc/38/68/85/1072386885.db2.gz XRMVZKKAKRKDOA-AUSIDOKSSA-N 1 1 438.532 0.762 20 0 ICADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC001595436472 1072386949 /nfs/dbraw/zinc/38/69/49/1072386949.db2.gz XRMVZKKAKRKDOA-CVDCTZTESA-N 1 1 438.532 0.762 20 0 ICADMO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC001595436472 1072386943 /nfs/dbraw/zinc/38/69/43/1072386943.db2.gz XRMVZKKAKRKDOA-CVDCTZTESA-N 1 1 438.532 0.762 20 0 ICADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC001595436474 1072386829 /nfs/dbraw/zinc/38/68/29/1072386829.db2.gz XRMVZKKAKRKDOA-WMZHIEFXSA-N 1 1 438.532 0.762 20 0 ICADMO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC001595436474 1072386824 /nfs/dbraw/zinc/38/68/24/1072386824.db2.gz XRMVZKKAKRKDOA-WMZHIEFXSA-N 1 1 438.532 0.762 20 0 ICADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC001595436477 1072387530 /nfs/dbraw/zinc/38/75/30/1072387530.db2.gz XRMVZKKAKRKDOA-XXBNENTESA-N 1 1 438.532 0.762 20 0 ICADMO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC001595436477 1072387521 /nfs/dbraw/zinc/38/75/21/1072387521.db2.gz XRMVZKKAKRKDOA-XXBNENTESA-N 1 1 438.532 0.762 20 0 ICADMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H]2[C@@H](O)C(=O)N(C)[C@@H]2c2cnn(C)c2)CC1 ZINC001595462376 1072387422 /nfs/dbraw/zinc/38/74/22/1072387422.db2.gz NYQSCJFVQDXBQV-NJDAHSKKSA-N 1 1 425.533 0.953 20 0 ICADMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC1 ZINC001595462825 1072387552 /nfs/dbraw/zinc/38/75/52/1072387552.db2.gz XJECKQHKFIOBEE-UHFFFAOYSA-N 1 1 438.594 0.863 20 0 ICADMO COCCCS(=O)(=O)N1CCN(C(=O)[C@@]2([NH+](C)C)COc3ccccc3C2)CC1 ZINC001595465448 1072387373 /nfs/dbraw/zinc/38/73/73/1072387373.db2.gz JNPCSRXEKUPGEC-FQEVSTJZSA-N 1 1 425.551 0.432 20 0 ICADMO COCCCS(=O)(=O)N1CCN(C(=O)[C@]2([NH+](C)C)COc3ccccc3C2)CC1 ZINC001595465449 1072387477 /nfs/dbraw/zinc/38/74/77/1072387477.db2.gz JNPCSRXEKUPGEC-HXUWFJFHSA-N 1 1 425.551 0.432 20 0 ICADMO COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)cc1-n1cnnn1 ZINC001595484812 1072389582 /nfs/dbraw/zinc/38/95/82/1072389582.db2.gz ABTQFVSWWQOVAG-IBGZPJMESA-N 1 1 449.515 0.786 20 0 ICADMO COc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)cc1-n1cnnn1 ZINC001595484813 1072389676 /nfs/dbraw/zinc/38/96/76/1072389676.db2.gz ABTQFVSWWQOVAG-LJQANCHMSA-N 1 1 449.515 0.786 20 0 ICADMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC001595484837 1072389440 /nfs/dbraw/zinc/38/94/40/1072389440.db2.gz AMAYJBLTIHUMGI-HSALFYBXSA-N 1 1 438.528 0.439 20 0 ICADMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC001595484838 1072389661 /nfs/dbraw/zinc/38/96/61/1072389661.db2.gz AMAYJBLTIHUMGI-ZCNNSNEGSA-N 1 1 438.528 0.439 20 0 ICADMO Cc1c(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)cnn1-c1ccc(=O)[nH]n1 ZINC001595485075 1072389524 /nfs/dbraw/zinc/38/95/24/1072389524.db2.gz HGVCMSQSORSZGO-IBGZPJMESA-N 1 1 449.515 0.791 20 0 ICADMO Cc1c(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)cnn1-c1ccc(=O)[nH]n1 ZINC001595485076 1072390207 /nfs/dbraw/zinc/39/02/07/1072390207.db2.gz HGVCMSQSORSZGO-LJQANCHMSA-N 1 1 449.515 0.791 20 0 ICADMO Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)c(C)n1NC(N)=O ZINC001595485178 1072390302 /nfs/dbraw/zinc/39/03/02/1072390302.db2.gz KJKQRSBNYLNVIL-IBGZPJMESA-N 1 1 426.521 0.842 20 0 ICADMO Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)c(C)n1NC(N)=O ZINC001595485179 1072389999 /nfs/dbraw/zinc/38/99/99/1072389999.db2.gz KJKQRSBNYLNVIL-LJQANCHMSA-N 1 1 426.521 0.842 20 0 ICADMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)Cn2c(=O)cnc3ccccc32)CC1 ZINC001595485470 1072390248 /nfs/dbraw/zinc/39/02/48/1072390248.db2.gz QNNJGWLIXAHERG-FQEVSTJZSA-N 1 1 433.512 0.898 20 0 ICADMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)Cn2c(=O)cnc3ccccc32)CC1 ZINC001595485471 1072390080 /nfs/dbraw/zinc/39/00/80/1072390080.db2.gz QNNJGWLIXAHERG-HXUWFJFHSA-N 1 1 433.512 0.898 20 0 ICADMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001595485507 1072390327 /nfs/dbraw/zinc/39/03/27/1072390327.db2.gz RWUURYWYCUHFBD-IBGZPJMESA-N 1 1 436.578 0.160 20 0 ICADMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001595485508 1072389967 /nfs/dbraw/zinc/38/99/67/1072389967.db2.gz RWUURYWYCUHFBD-LJQANCHMSA-N 1 1 436.578 0.160 20 0 ICADMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC001595485535 1072390312 /nfs/dbraw/zinc/39/03/12/1072390312.db2.gz SJOICKBQRNXJDQ-OALUTQOASA-N 1 1 436.578 0.160 20 0 ICADMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC001595485536 1072390182 /nfs/dbraw/zinc/39/01/82/1072390182.db2.gz SJOICKBQRNXJDQ-RBUKOAKNSA-N 1 1 436.578 0.160 20 0 ICADMO C[C@@H](C(=O)N(C)CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1)n1cccn1 ZINC001595485629 1072390053 /nfs/dbraw/zinc/39/00/53/1072390053.db2.gz UYBSYNHEFGGIBC-AZUAARDMSA-N 1 1 440.548 0.404 20 0 ICADMO C[C@@H](C(=O)N(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1)n1cccn1 ZINC001595485630 1072390103 /nfs/dbraw/zinc/39/01/03/1072390103.db2.gz UYBSYNHEFGGIBC-ICSRJNTNSA-N 1 1 440.548 0.404 20 0 ICADMO C[C@H](C(=O)N(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1)n1cccn1 ZINC001595485631 1072390272 /nfs/dbraw/zinc/39/02/72/1072390272.db2.gz UYBSYNHEFGGIBC-QUCCMNQESA-N 1 1 440.548 0.404 20 0 ICADMO C[C@H](C(=O)N(C)CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1)n1cccn1 ZINC001595485632 1072390130 /nfs/dbraw/zinc/39/01/30/1072390130.db2.gz UYBSYNHEFGGIBC-UYAOXDASSA-N 1 1 440.548 0.404 20 0 ICADMO CNC(=O)c1cncc(/C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)c1 ZINC001595485822 1072389984 /nfs/dbraw/zinc/38/99/84/1072389984.db2.gz YOZHEQVSNIDNNN-GEPASTNRSA-N 1 1 435.528 0.956 20 0 ICADMO CNC(=O)c1cncc(/C=C\C(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)c1 ZINC001595485824 1072390229 /nfs/dbraw/zinc/39/02/29/1072390229.db2.gz YOZHEQVSNIDNNN-HEDKFQSOSA-N 1 1 435.528 0.956 20 0 ICADMO CNC(=O)c1cncc(/C=C/C(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)c1 ZINC001595485826 1072390017 /nfs/dbraw/zinc/39/00/17/1072390017.db2.gz YOZHEQVSNIDNNN-MHNQQFQPSA-N 1 1 435.528 0.956 20 0 ICADMO CNC(=O)c1cncc(/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)c1 ZINC001595485828 1072390744 /nfs/dbraw/zinc/39/07/44/1072390744.db2.gz YOZHEQVSNIDNNN-SHBDEGQCSA-N 1 1 435.528 0.956 20 0 ICADMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(S(C)(=O)=O)cc2N)CC1 ZINC001595492425 1072390816 /nfs/dbraw/zinc/39/08/16/1072390816.db2.gz JILXNLLCDKQRMX-FQEVSTJZSA-N 1 1 444.557 0.787 20 0 ICADMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(S(C)(=O)=O)cc2N)CC1 ZINC001595492426 1072390753 /nfs/dbraw/zinc/39/07/53/1072390753.db2.gz JILXNLLCDKQRMX-HXUWFJFHSA-N 1 1 444.557 0.787 20 0 ICADMO C[NH+]1CC(N2CCN(C(=O)c3cnnn3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC001595584034 1072401270 /nfs/dbraw/zinc/40/12/70/1072401270.db2.gz PNCNGLNGXYEZGP-UHFFFAOYSA-N 1 1 433.557 0.922 20 0 ICADMO 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CC(=O)N1CC[NH+](CCn2c(-c3ccccn3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001596282124 1072472401 /nfs/dbraw/zinc/47/24/01/1072472401.db2.gz CWUQPQJBEKIPBA-MRXNPFEDSA-N 1 1 426.525 0.171 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)nc3)nnc2N2CCNC(=O)CC2)CC1 ZINC001596282131 1072472246 /nfs/dbraw/zinc/47/22/46/1072472246.db2.gz DAQKBVCVMNJZJH-UHFFFAOYSA-N 1 1 446.943 0.484 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3cnccn3)nnc2N2CCO[C@H](C(C)C)C2)CC1 ZINC001596282181 1072472330 /nfs/dbraw/zinc/47/23/30/1072472330.db2.gz FMKKWDKDMXZIRD-IBGZPJMESA-N 1 1 428.541 0.760 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3cnccn3)nnc2N2CCO[C@@H](C(C)C)C2)CC1 ZINC001596282182 1072472367 /nfs/dbraw/zinc/47/23/67/1072472367.db2.gz FMKKWDKDMXZIRD-LJQANCHMSA-N 1 1 428.541 0.760 20 0 ICADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc[nH]3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001596282195 1072472345 /nfs/dbraw/zinc/47/23/45/1072472345.db2.gz GLIUJYWAJURXNC-IBGZPJMESA-N 1 1 442.568 0.742 20 0 ICADMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc[nH]3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001596282196 1072472379 /nfs/dbraw/zinc/47/23/79/1072472379.db2.gz GLIUJYWAJURXNC-LJQANCHMSA-N 1 1 442.568 0.742 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3cccn3C)nnc2N(C)CCNC(=O)C(C)C)CC1 ZINC001596282245 1072472231 /nfs/dbraw/zinc/47/22/31/1072472231.db2.gz IGNLZVDZGBLXRI-UHFFFAOYSA-N 1 1 444.584 0.656 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc[nH]3)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001596282394 1072472267 /nfs/dbraw/zinc/47/22/67/1072472267.db2.gz KMALEMIFPQRCFR-UHFFFAOYSA-N 1 1 428.541 0.496 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3cnccn3)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001596282429 1072472145 /nfs/dbraw/zinc/47/21/45/1072472145.db2.gz KXEKQOCJTUOSFQ-UHFFFAOYSA-N 1 1 425.497 0.832 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccn3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001596282526 1072472795 /nfs/dbraw/zinc/47/27/95/1072472795.db2.gz NYYUAEWSZGCZMI-UHFFFAOYSA-N 1 1 426.525 0.206 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3cnccn3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001596282677 1072472966 /nfs/dbraw/zinc/47/29/66/1072472966.db2.gz PPUBHOFGWFVCJQ-INIZCTEOSA-N 1 1 428.541 0.903 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3cnccn3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001596282680 1072472903 /nfs/dbraw/zinc/47/29/03/1072472903.db2.gz PPUBHOFGWFVCJQ-MRXNPFEDSA-N 1 1 428.541 0.903 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3cccnc3)nnc2N(C)CCc2cnccn2)CC1 ZINC001596282842 1072473004 /nfs/dbraw/zinc/47/30/04/1072473004.db2.gz SNNAVGDHJMQJAN-UHFFFAOYSA-N 1 1 435.536 0.973 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc[nH]3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001596283039 1072472889 /nfs/dbraw/zinc/47/28/89/1072472889.db2.gz VXUMJYTZUWORBL-UHFFFAOYSA-N 1 1 428.541 0.529 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3cnn(C)c3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001596283147 1072472844 /nfs/dbraw/zinc/47/28/44/1072472844.db2.gz WLCHRPUIVAYGQP-INIZCTEOSA-N 1 1 430.557 0.846 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3cnn(C)c3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001596283150 1072472865 /nfs/dbraw/zinc/47/28/65/1072472865.db2.gz WLCHRPUIVAYGQP-MRXNPFEDSA-N 1 1 430.557 0.846 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccc3F)nnc2N2CCNC(=O)CC2)CC1 ZINC001596283251 1072473013 /nfs/dbraw/zinc/47/30/13/1072473013.db2.gz XNHPRWZJMJIOMS-UHFFFAOYSA-N 1 1 429.500 0.575 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3cccn3C)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001596283258 1072473070 /nfs/dbraw/zinc/47/30/70/1072473070.db2.gz XYABRFVZOXJRCH-UHFFFAOYSA-N 1 1 428.541 0.149 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(C)n3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001596288931 1072474184 /nfs/dbraw/zinc/47/41/84/1072474184.db2.gz KSBFWDUWBOHSIJ-KRWDZBQOSA-N 1 1 440.552 0.480 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(C)n3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001596288932 1072474338 /nfs/dbraw/zinc/47/43/38/1072474338.db2.gz KSBFWDUWBOHSIJ-QGZVFWFLSA-N 1 1 440.552 0.480 20 0 ICADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(C)n3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001596289385 1072474883 /nfs/dbraw/zinc/47/48/83/1072474883.db2.gz OOMPFWIGCCSSPR-SFHVURJKSA-N 1 1 440.552 0.514 20 0 ICADMO CC(=O)N1CCN(CCn2c(CC(C)C)nnc2N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC001596289687 1072474857 /nfs/dbraw/zinc/47/48/57/1072474857.db2.gz RNZGXFSSFAIFPL-NRFANRHFSA-N 1 1 447.628 0.942 20 0 ICADMO CC(=O)N1CCN(CCn2c(CC(C)C)nnc2N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC001596289688 1072474944 /nfs/dbraw/zinc/47/49/44/1072474944.db2.gz RNZGXFSSFAIFPL-OAQYLSRUSA-N 1 1 447.628 0.942 20 0 ICADMO CC(=O)Nc1ccc(Cn2c(C)nnc2N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC001596315698 1072477410 /nfs/dbraw/zinc/47/74/10/1072477410.db2.gz DCQPRJFIWRURFN-GOSISDBHSA-N 1 1 426.525 0.731 20 0 ICADMO CC(=O)Nc1ccc(Cn2c(C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC001596315699 1072477529 /nfs/dbraw/zinc/47/75/29/1072477529.db2.gz DCQPRJFIWRURFN-SFHVURJKSA-N 1 1 426.525 0.731 20 0 ICADMO CC(=O)Nc1ccc(Cn2c(C)nnc2N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)cn1 ZINC001596315757 1072477308 /nfs/dbraw/zinc/47/73/08/1072477308.db2.gz GAVHIDSMISBUSR-FOIQADDNSA-N 1 1 440.552 0.977 20 0 ICADMO CC(=O)Nc1ccc(Cn2c(C)nnc2N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)cn1 ZINC001596315758 1072478264 /nfs/dbraw/zinc/47/82/64/1072478264.db2.gz GAVHIDSMISBUSR-MGPUTAFESA-N 1 1 440.552 0.977 20 0 ICADMO CC(=O)Nc1ccc(Cn2c(C)nnc2N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)cn1 ZINC001596315759 1072478338 /nfs/dbraw/zinc/47/83/38/1072478338.db2.gz GAVHIDSMISBUSR-QRWLVFNGSA-N 1 1 440.552 0.977 20 0 ICADMO CC(=O)Nc1ccc(Cn2c(C)nnc2N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)cn1 ZINC001596315760 1072478250 /nfs/dbraw/zinc/47/82/50/1072478250.db2.gz GAVHIDSMISBUSR-YWZLYKJASA-N 1 1 440.552 0.977 20 0 ICADMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC001596328410 1072478805 /nfs/dbraw/zinc/47/88/05/1072478805.db2.gz OSBPEMJRMAANDX-AWEZNQCLSA-N 1 1 434.518 0.785 20 0 ICADMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC001596328411 1072478658 /nfs/dbraw/zinc/47/86/58/1072478658.db2.gz OSBPEMJRMAANDX-CQSZACIVSA-N 1 1 434.518 0.785 20 0 ICADMO CC[N@H+]1CC[C@H]1CNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C ZINC001596328781 1072478695 /nfs/dbraw/zinc/47/86/95/1072478695.db2.gz VAUOGNUZAIQXQO-INIZCTEOSA-N 1 1 449.577 0.737 20 0 ICADMO CC[N@H+]1CC[C@@H]1CNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C ZINC001596328784 1072479248 /nfs/dbraw/zinc/47/92/48/1072479248.db2.gz VAUOGNUZAIQXQO-MRXNPFEDSA-N 1 1 449.577 0.737 20 0 ICADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC001596380169 1072481931 /nfs/dbraw/zinc/48/19/31/1072481931.db2.gz VVAMUMRLOSBQOV-UHFFFAOYSA-N 1 1 439.582 0.601 20 0 ICADMO CC(C)(c1nnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)o1)S(C)(=O)=O ZINC001596383223 1072482022 /nfs/dbraw/zinc/48/20/22/1072482022.db2.gz SZSRRMAFXYHEKA-CVEARBPZSA-N 1 1 436.534 0.962 20 0 ICADMO CC(C)(c1nnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)o1)S(C)(=O)=O ZINC001596383225 1072482730 /nfs/dbraw/zinc/48/27/30/1072482730.db2.gz SZSRRMAFXYHEKA-HOTGVXAUSA-N 1 1 436.534 0.962 20 0 ICADMO CC(C)(c1nnc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)o1)S(C)(=O)=O ZINC001596383227 1072482632 /nfs/dbraw/zinc/48/26/32/1072482632.db2.gz SZSRRMAFXYHEKA-HZPDHXFCSA-N 1 1 436.534 0.962 20 0 ICADMO CC(C)(c1nnc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)o1)S(C)(=O)=O ZINC001596383228 1072482701 /nfs/dbraw/zinc/48/27/01/1072482701.db2.gz SZSRRMAFXYHEKA-JKSUJKDBSA-N 1 1 436.534 0.962 20 0 ICADMO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001596384166 1072482610 /nfs/dbraw/zinc/48/26/10/1072482610.db2.gz KZSYFGUXMCVJPJ-ABLAWYLBSA-N 1 1 433.557 0.179 20 0 ICADMO CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001596384167 1072482719 /nfs/dbraw/zinc/48/27/19/1072482719.db2.gz KZSYFGUXMCVJPJ-NOKFLLHDSA-N 1 1 433.557 0.179 20 0 ICADMO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001596384168 1072482652 /nfs/dbraw/zinc/48/26/52/1072482652.db2.gz KZSYFGUXMCVJPJ-NYFOENAASA-N 1 1 433.557 0.179 20 0 ICADMO CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001596384169 1072482787 /nfs/dbraw/zinc/48/27/87/1072482787.db2.gz KZSYFGUXMCVJPJ-YPHMPPRQSA-N 1 1 433.557 0.179 20 0 ICADMO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCOCC2)CC1 ZINC001596384821 1072482685 /nfs/dbraw/zinc/48/26/85/1072482685.db2.gz VVAUCWXAHKHUBD-ACBHZAAOSA-N 1 1 447.584 0.835 20 0 ICADMO CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCOCC2)CC1 ZINC001596384822 1072482769 /nfs/dbraw/zinc/48/27/69/1072482769.db2.gz VVAUCWXAHKHUBD-CTWPCTMYSA-N 1 1 447.584 0.835 20 0 ICADMO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001596392204 1072483339 /nfs/dbraw/zinc/48/33/39/1072483339.db2.gz FQYFHUIQDLOYEC-UHFFFAOYSA-N 1 1 443.591 0.716 20 0 ICADMO Cc1c[nH+]cn1CC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 ZINC001596392680 1072483452 /nfs/dbraw/zinc/48/34/52/1072483452.db2.gz JKZAPGSILKDNPV-UHFFFAOYSA-N 1 1 440.547 0.437 20 0 ICADMO CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001596405869 1072484706 /nfs/dbraw/zinc/48/47/06/1072484706.db2.gz UCSNKADIHCHHTP-DLBZAZTESA-N 1 1 428.541 0.980 20 0 ICADMO CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001596405870 1072484696 /nfs/dbraw/zinc/48/46/96/1072484696.db2.gz UCSNKADIHCHHTP-IAGOWNOFSA-N 1 1 428.541 0.980 20 0 ICADMO CC(=O)N[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001596405871 1072484574 /nfs/dbraw/zinc/48/45/74/1072484574.db2.gz UCSNKADIHCHHTP-IRXDYDNUSA-N 1 1 428.541 0.980 20 0 ICADMO CC(=O)N[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001596405872 1072484682 /nfs/dbraw/zinc/48/46/82/1072484682.db2.gz UCSNKADIHCHHTP-SJORKVTESA-N 1 1 428.541 0.980 20 0 ICADMO CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001596406272 1072484600 /nfs/dbraw/zinc/48/46/00/1072484600.db2.gz ZUSPEOSDHIYION-MOPGFXCFSA-N 1 1 449.600 0.878 20 0 ICADMO CC(=O)N[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001596406273 1072484755 /nfs/dbraw/zinc/48/47/55/1072484755.db2.gz ZUSPEOSDHIYION-OALUTQOASA-N 1 1 449.600 0.878 20 0 ICADMO CC(=O)N[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001596406274 1072484718 /nfs/dbraw/zinc/48/47/18/1072484718.db2.gz ZUSPEOSDHIYION-RBUKOAKNSA-N 1 1 449.600 0.878 20 0 ICADMO CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001596406275 1072484658 /nfs/dbraw/zinc/48/46/58/1072484658.db2.gz ZUSPEOSDHIYION-RTBURBONSA-N 1 1 449.600 0.878 20 0 ICADMO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+](C)C(C)C)C1 ZINC001596411769 1072485140 /nfs/dbraw/zinc/48/51/40/1072485140.db2.gz KZXACZUGCSCISY-GDBMZVCRSA-N 1 1 429.591 0.333 20 0 ICADMO 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CC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2cc[nH+]c2C)C1 ZINC001596412519 1072485570 /nfs/dbraw/zinc/48/55/70/1072485570.db2.gz SITWXTMSJNQVPD-CZUORRHYSA-N 1 1 438.558 0.198 20 0 ICADMO CC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2cc[nH+]c2C)C1 ZINC001596412520 1072485757 /nfs/dbraw/zinc/48/57/57/1072485757.db2.gz SITWXTMSJNQVPD-XJKSGUPXSA-N 1 1 438.558 0.198 20 0 ICADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001596441716 1072487228 /nfs/dbraw/zinc/48/72/28/1072487228.db2.gz ZYWPJWXZAHUWEX-IBGZPJMESA-N 1 1 443.600 0.810 20 0 ICADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001596441716 1072487226 /nfs/dbraw/zinc/48/72/26/1072487226.db2.gz ZYWPJWXZAHUWEX-IBGZPJMESA-N 1 1 443.600 0.810 20 0 ICADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001596441716 1072487221 /nfs/dbraw/zinc/48/72/21/1072487221.db2.gz ZYWPJWXZAHUWEX-IBGZPJMESA-N 1 1 443.600 0.810 20 0 ICADMO 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CC(C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001597820732 1072579025 /nfs/dbraw/zinc/57/90/25/1072579025.db2.gz CHTYCHSYQIJKFK-MRXNPFEDSA-N 1 1 429.525 0.855 20 0 ICADMO CC(C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001597826105 1072578989 /nfs/dbraw/zinc/57/89/89/1072578989.db2.gz NHOVRPFBLKHZNM-INIZCTEOSA-N 1 1 435.550 0.640 20 0 ICADMO CC(C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001597826105 1072578974 /nfs/dbraw/zinc/57/89/74/1072578974.db2.gz NHOVRPFBLKHZNM-INIZCTEOSA-N 1 1 435.550 0.640 20 0 ICADMO CC(C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001597826109 1072578912 /nfs/dbraw/zinc/57/89/12/1072578912.db2.gz NHOVRPFBLKHZNM-MRXNPFEDSA-N 1 1 435.550 0.640 20 0 ICADMO CC(C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001597826109 1072578902 /nfs/dbraw/zinc/57/89/02/1072578902.db2.gz NHOVRPFBLKHZNM-MRXNPFEDSA-N 1 1 435.550 0.640 20 0 ICADMO CC(C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001597841642 1072579490 /nfs/dbraw/zinc/57/94/90/1072579490.db2.gz VPRXTUKKXOUPNQ-KRWDZBQOSA-N 1 1 441.598 0.500 20 0 ICADMO CC(C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001597841643 1072580007 /nfs/dbraw/zinc/58/00/07/1072580007.db2.gz VPRXTUKKXOUPNQ-QGZVFWFLSA-N 1 1 441.598 0.500 20 0 ICADMO CN(CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)OC(C)(C)C)CC1)S(C)(=O)=O ZINC001597869406 1072580061 /nfs/dbraw/zinc/58/00/61/1072580061.db2.gz SYUXUAYKSIZKHK-CALCHBBNSA-N 1 1 444.598 0.953 20 0 ICADMO COC(=O)CC[N@H+]1CCN(C(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001597910268 1072581599 /nfs/dbraw/zinc/58/15/99/1072581599.db2.gz CEPSNCQYSIGZNC-AWEZNQCLSA-N 1 1 443.522 0.078 20 0 ICADMO COC(=O)CC[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001597910268 1072581591 /nfs/dbraw/zinc/58/15/91/1072581591.db2.gz CEPSNCQYSIGZNC-AWEZNQCLSA-N 1 1 443.522 0.078 20 0 ICADMO COC(=O)CC[N@H+]1CCN(C(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)C[C@H]1C ZINC001597910269 1072582148 /nfs/dbraw/zinc/58/21/48/1072582148.db2.gz CEPSNCQYSIGZNC-CQSZACIVSA-N 1 1 443.522 0.078 20 0 ICADMO COC(=O)CC[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)C[C@H]1C ZINC001597910269 1072582137 /nfs/dbraw/zinc/58/21/37/1072582137.db2.gz CEPSNCQYSIGZNC-CQSZACIVSA-N 1 1 443.522 0.078 20 0 ICADMO COC(=O)CC[N@H+]1CCN(C(=O)CNS(=O)(=O)c2cccc(C(C)=O)c2)C[C@@H]1C ZINC001597910972 1072582235 /nfs/dbraw/zinc/58/22/35/1072582235.db2.gz MEHKTJGQJFBNPK-AWEZNQCLSA-N 1 1 425.507 0.263 20 0 ICADMO COC(=O)CC[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2cccc(C(C)=O)c2)C[C@@H]1C ZINC001597910972 1072582223 /nfs/dbraw/zinc/58/22/23/1072582223.db2.gz MEHKTJGQJFBNPK-AWEZNQCLSA-N 1 1 425.507 0.263 20 0 ICADMO COC(=O)CC[N@H+]1CCN(C(=O)CNS(=O)(=O)c2cccc(C(C)=O)c2)C[C@H]1C ZINC001597910973 1072582046 /nfs/dbraw/zinc/58/20/46/1072582046.db2.gz MEHKTJGQJFBNPK-CQSZACIVSA-N 1 1 425.507 0.263 20 0 ICADMO COC(=O)CC[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2cccc(C(C)=O)c2)C[C@H]1C ZINC001597910973 1072582035 /nfs/dbraw/zinc/58/20/35/1072582035.db2.gz MEHKTJGQJFBNPK-CQSZACIVSA-N 1 1 425.507 0.263 20 0 ICADMO COC(=O)CC[N@H+]1CCN(C(=O)CN2Cc3c(cnn3-c3ccccc3)C2=O)C[C@@H]1C ZINC001597912212 1072582400 /nfs/dbraw/zinc/58/24/00/1072582400.db2.gz UVRSACWHBFXDGN-INIZCTEOSA-N 1 1 425.489 0.924 20 0 ICADMO COC(=O)CC[N@@H+]1CCN(C(=O)CN2Cc3c(cnn3-c3ccccc3)C2=O)C[C@@H]1C ZINC001597912212 1072582395 /nfs/dbraw/zinc/58/23/95/1072582395.db2.gz UVRSACWHBFXDGN-INIZCTEOSA-N 1 1 425.489 0.924 20 0 ICADMO COC(=O)CC[N@H+]1CCN(C(=O)CN2Cc3c(cnn3-c3ccccc3)C2=O)C[C@H]1C ZINC001597912216 1072582279 /nfs/dbraw/zinc/58/22/79/1072582279.db2.gz UVRSACWHBFXDGN-MRXNPFEDSA-N 1 1 425.489 0.924 20 0 ICADMO COC(=O)CC[N@@H+]1CCN(C(=O)CN2Cc3c(cnn3-c3ccccc3)C2=O)C[C@H]1C ZINC001597912216 1072582270 /nfs/dbraw/zinc/58/22/70/1072582270.db2.gz UVRSACWHBFXDGN-MRXNPFEDSA-N 1 1 425.489 0.924 20 0 ICADMO CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCOCC2)CC1 ZINC001597930550 1072584043 /nfs/dbraw/zinc/58/40/43/1072584043.db2.gz SIFMTOGOGDPHPX-GOSISDBHSA-N 1 1 447.584 0.646 20 0 ICADMO CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCOCC2)CC1 ZINC001597930551 1072584298 /nfs/dbraw/zinc/58/42/98/1072584298.db2.gz SIFMTOGOGDPHPX-SFHVURJKSA-N 1 1 447.584 0.646 20 0 ICADMO CC(C)C(=O)N1CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001597960685 1072587885 /nfs/dbraw/zinc/58/78/85/1072587885.db2.gz LDJRMLVLQMBMKJ-JOCHJYFZSA-N 1 1 427.553 0.635 20 0 ICADMO CC(C)C(=O)N1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001597960690 1072587704 /nfs/dbraw/zinc/58/77/04/1072587704.db2.gz LDJRMLVLQMBMKJ-QFIPXVFZSA-N 1 1 427.553 0.635 20 0 ICADMO Cn1c(=O)cc(N2CC[C@H](NC(=O)[C@@]3(O)CCC[N@@H+](Cc4ccccc4)C3)C2)[nH]c1=O ZINC001597992231 1072590149 /nfs/dbraw/zinc/59/01/49/1072590149.db2.gz AHFKFFZKZXEMCT-HTAPYJJXSA-N 1 1 427.505 0.208 20 0 ICADMO Cn1c(=O)cc(N2CC[C@H](NC(=O)[C@]3(O)CCC[N@@H+](Cc4ccccc4)C3)C2)[nH]c1=O ZINC001597992232 1072590207 /nfs/dbraw/zinc/59/02/07/1072590207.db2.gz AHFKFFZKZXEMCT-JTSKRJEESA-N 1 1 427.505 0.208 20 0 ICADMO Cn1c(=O)cc(N2CC[C@@H](NC(=O)[C@@]3(O)CCC[N@@H+](Cc4ccccc4)C3)C2)[nH]c1=O ZINC001597992233 1072590368 /nfs/dbraw/zinc/59/03/68/1072590368.db2.gz AHFKFFZKZXEMCT-VGOFRKELSA-N 1 1 427.505 0.208 20 0 ICADMO Cn1c(=O)cc(N2CC[C@@H](NC(=O)[C@]3(O)CCC[N@@H+](Cc4ccccc4)C3)C2)[nH]c1=O ZINC001597992234 1072590394 /nfs/dbraw/zinc/59/03/94/1072590394.db2.gz AHFKFFZKZXEMCT-VGSWGCGISA-N 1 1 427.505 0.208 20 0 ICADMO CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCOCC2)CC1 ZINC001598011060 1072594706 /nfs/dbraw/zinc/59/47/06/1072594706.db2.gz CTHMEXTYKDXDLR-GOSISDBHSA-N 1 1 447.584 0.693 20 0 ICADMO CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCOCC2)CC1 ZINC001598011061 1072594604 /nfs/dbraw/zinc/59/46/04/1072594604.db2.gz CTHMEXTYKDXDLR-SFHVURJKSA-N 1 1 447.584 0.693 20 0 ICADMO CC(C)C(=O)NC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001598018930 1072595225 /nfs/dbraw/zinc/59/52/25/1072595225.db2.gz XKFONXIARCWRGE-JOCHJYFZSA-N 1 1 447.584 0.208 20 0 ICADMO CC(C)C(=O)NC1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001598018931 1072595365 /nfs/dbraw/zinc/59/53/65/1072595365.db2.gz XKFONXIARCWRGE-QFIPXVFZSA-N 1 1 447.584 0.208 20 0 ICADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001598038887 1072596374 /nfs/dbraw/zinc/59/63/74/1072596374.db2.gz SOOWINULGDOJSN-HTAPYJJXSA-N 1 1 444.584 0.734 20 0 ICADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001598038888 1072596204 /nfs/dbraw/zinc/59/62/04/1072596204.db2.gz SOOWINULGDOJSN-JTSKRJEESA-N 1 1 444.584 0.734 20 0 ICADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001598038889 1072596402 /nfs/dbraw/zinc/59/64/02/1072596402.db2.gz SOOWINULGDOJSN-VGOFRKELSA-N 1 1 444.584 0.734 20 0 ICADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001598038890 1072596488 /nfs/dbraw/zinc/59/64/88/1072596488.db2.gz SOOWINULGDOJSN-VGSWGCGISA-N 1 1 444.584 0.734 20 0 ICADMO CC(C)C(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001598063390 1072597597 /nfs/dbraw/zinc/59/75/97/1072597597.db2.gz VNWLKMGGDPISJC-GOSISDBHSA-N 1 1 444.584 0.999 20 0 ICADMO CC(C)C(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001598063392 1072597655 /nfs/dbraw/zinc/59/76/55/1072597655.db2.gz VNWLKMGGDPISJC-SFHVURJKSA-N 1 1 444.584 0.999 20 0 ICADMO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001598069196 1072598129 /nfs/dbraw/zinc/59/81/29/1072598129.db2.gz IDTMJJUCGVMNTQ-UHFFFAOYSA-N 1 1 448.545 0.606 20 0 ICADMO CC(C)C(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001598069953 1072598063 /nfs/dbraw/zinc/59/80/63/1072598063.db2.gz OXIPUUCLFKERJB-KRWDZBQOSA-N 1 1 449.600 0.939 20 0 ICADMO CC(C)C(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001598069953 1072598056 /nfs/dbraw/zinc/59/80/56/1072598056.db2.gz OXIPUUCLFKERJB-KRWDZBQOSA-N 1 1 449.600 0.939 20 0 ICADMO CC(C)C(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001598069955 1072598333 /nfs/dbraw/zinc/59/83/33/1072598333.db2.gz OXIPUUCLFKERJB-QGZVFWFLSA-N 1 1 449.600 0.939 20 0 ICADMO CC(C)C(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001598069955 1072598321 /nfs/dbraw/zinc/59/83/21/1072598321.db2.gz OXIPUUCLFKERJB-QGZVFWFLSA-N 1 1 449.600 0.939 20 0 ICADMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)C1 ZINC001598096970 1072602128 /nfs/dbraw/zinc/60/21/28/1072602128.db2.gz HZJDRJPOWYCWKU-HRAATJIYSA-N 1 1 426.558 0.713 20 0 ICADMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)C1 ZINC001598096971 1072602175 /nfs/dbraw/zinc/60/21/75/1072602175.db2.gz HZJDRJPOWYCWKU-IERDGZPVSA-N 1 1 426.558 0.713 20 0 ICADMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)C1 ZINC001598096972 1072602951 /nfs/dbraw/zinc/60/29/51/1072602951.db2.gz HZJDRJPOWYCWKU-IIBYNOLFSA-N 1 1 426.558 0.713 20 0 ICADMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)C1 ZINC001598096973 1072602759 /nfs/dbraw/zinc/60/27/59/1072602759.db2.gz HZJDRJPOWYCWKU-KKSFZXQISA-N 1 1 426.558 0.713 20 0 ICADMO CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+](C)C(C)C ZINC001598101010 1072602849 /nfs/dbraw/zinc/60/28/49/1072602849.db2.gz ISZKXXJUKNDRKG-INIZCTEOSA-N 1 1 428.603 0.729 20 0 ICADMO CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+](C)C(C)C ZINC001598101011 1072603025 /nfs/dbraw/zinc/60/30/25/1072603025.db2.gz ISZKXXJUKNDRKG-MRXNPFEDSA-N 1 1 428.603 0.729 20 0 ICADMO O=C(N[C@@H](CO)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)n1 ZINC001598129261 1072605382 /nfs/dbraw/zinc/60/53/82/1072605382.db2.gz SUHSTJFJCCWJTI-SFHVURJKSA-N 1 1 430.484 0.035 20 0 ICADMO 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ICADMO O=C(COc1ccccc1)N1CCC[C@H](C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)C1 ZINC001607838956 1072686179 /nfs/dbraw/zinc/68/61/79/1072686179.db2.gz USSQVGXTTXTXNA-SFYKDHMMSA-N 1 1 431.533 0.646 20 0 ICADMO O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001607839035 1072686258 /nfs/dbraw/zinc/68/62/58/1072686258.db2.gz VSXMCOVBSOHFBP-GHTZIAJQSA-N 1 1 437.562 0.402 20 0 ICADMO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC001607839083 1072686167 /nfs/dbraw/zinc/68/61/67/1072686167.db2.gz WJFMFASHYBOCLY-GHTZIAJQSA-N 1 1 437.562 0.863 20 0 ICADMO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC001607839083 1072686160 /nfs/dbraw/zinc/68/61/60/1072686160.db2.gz WJFMFASHYBOCLY-GHTZIAJQSA-N 1 1 437.562 0.863 20 0 ICADMO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)c1cc(Br)cn(C2CC2)c1=O ZINC001607845948 1072686299 /nfs/dbraw/zinc/68/62/99/1072686299.db2.gz OTPVXJNQXIPQAH-KBXCAEBGSA-N 1 1 426.311 0.901 20 0 ICADMO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)c1cnn(-c2ccc(Br)cc2)n1 ZINC001607846016 1072686228 /nfs/dbraw/zinc/68/62/28/1072686228.db2.gz QYZZKVVSXDDIKL-MAUKXSAKSA-N 1 1 436.310 0.985 20 0 ICADMO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)c1cnn(-c2ccc(Br)cc2)n1 ZINC001607846016 1072686224 /nfs/dbraw/zinc/68/62/24/1072686224.db2.gz QYZZKVVSXDDIKL-MAUKXSAKSA-N 1 1 436.310 0.985 20 0 ICADMO Cc1c(C(=O)N[C@@H]2CC[C@H](CS(N)(=O)=O)C2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC001607889094 1072687291 /nfs/dbraw/zinc/68/72/91/1072687291.db2.gz DTMOLILITWCRFT-GOEBONIOSA-N 1 1 432.550 0.751 20 0 ICADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001607889341 1072687313 /nfs/dbraw/zinc/68/73/13/1072687313.db2.gz GXXADMNAUHEMKH-GOSISDBHSA-N 1 1 425.537 0.822 20 0 ICADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001607889342 1072687260 /nfs/dbraw/zinc/68/72/60/1072687260.db2.gz GXXADMNAUHEMKH-SFHVURJKSA-N 1 1 425.537 0.822 20 0 ICADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001607890081 1072687323 /nfs/dbraw/zinc/68/73/23/1072687323.db2.gz VACAAJVKUVDHMR-INIZCTEOSA-N 1 1 443.527 0.962 20 0 ICADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001607890082 1072687270 /nfs/dbraw/zinc/68/72/70/1072687270.db2.gz VACAAJVKUVDHMR-MRXNPFEDSA-N 1 1 443.527 0.962 20 0 ICADMO CC(C)[N@@H+](C)CCCn1c(C2CC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001607894346 1072687381 /nfs/dbraw/zinc/68/73/81/1072687381.db2.gz AGARKXAFZUUZIK-UHFFFAOYSA-N 1 1 447.584 0.393 20 0 ICADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001607894780 1072687949 /nfs/dbraw/zinc/68/79/49/1072687949.db2.gz IUKKXXVSUFAPHP-HOTGVXAUSA-N 1 1 441.602 0.430 20 0 ICADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001607894781 1072687897 /nfs/dbraw/zinc/68/78/97/1072687897.db2.gz IUKKXXVSUFAPHP-JKSUJKDBSA-N 1 1 441.602 0.430 20 0 ICADMO CC(C)[N@@H+](C)CCCn1c(-c2cccn2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001607895731 1072687916 /nfs/dbraw/zinc/68/79/16/1072687916.db2.gz UCHFZFLYIKQOPR-INIZCTEOSA-N 1 1 428.541 0.161 20 0 ICADMO CC(C)[N@@H+](C)CCCn1c(-c2cccn2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001607895732 1072687942 /nfs/dbraw/zinc/68/79/42/1072687942.db2.gz UCHFZFLYIKQOPR-MRXNPFEDSA-N 1 1 428.541 0.161 20 0 ICADMO C[NH+]1CCN(C(=O)CNC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CC1 ZINC001607896177 1072687873 /nfs/dbraw/zinc/68/78/73/1072687873.db2.gz DFNFYXVODJDBNN-UHFFFAOYSA-N 1 1 444.504 0.256 20 0 ICADMO C[NH+]1CCN(C(=O)CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC001607897203 1072687889 /nfs/dbraw/zinc/68/78/89/1072687889.db2.gz RDFVOEOSBRDWPK-UHFFFAOYSA-N 1 1 428.942 0.628 20 0 ICADMO CCOc1ccc(C2N=NC(=S)N2CCC(=O)NCC(=O)N2CC[NH+](C)CC2)cc1 ZINC001607897888 1072687934 /nfs/dbraw/zinc/68/79/34/1072687934.db2.gz YRVQSJNJYBKXHW-UHFFFAOYSA-N 1 1 432.550 0.913 20 0 ICADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001607903534 1072687870 /nfs/dbraw/zinc/68/78/70/1072687870.db2.gz BDKXCQCXUBLUSP-CVEARBPZSA-N 1 1 447.627 0.534 20 0 ICADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001607903536 1072688496 /nfs/dbraw/zinc/68/84/96/1072688496.db2.gz BDKXCQCXUBLUSP-HOTGVXAUSA-N 1 1 447.627 0.534 20 0 ICADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001607903537 1072688430 /nfs/dbraw/zinc/68/84/30/1072688430.db2.gz BDKXCQCXUBLUSP-HZPDHXFCSA-N 1 1 447.627 0.534 20 0 ICADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001607903538 1072688599 /nfs/dbraw/zinc/68/85/99/1072688599.db2.gz BDKXCQCXUBLUSP-JKSUJKDBSA-N 1 1 447.627 0.534 20 0 ICADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001607904007 1072688469 /nfs/dbraw/zinc/68/84/69/1072688469.db2.gz IUWQQMMTULODFE-CVEARBPZSA-N 1 1 426.587 0.577 20 0 ICADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001607904008 1072688491 /nfs/dbraw/zinc/68/84/91/1072688491.db2.gz IUWQQMMTULODFE-HOTGVXAUSA-N 1 1 426.587 0.577 20 0 ICADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001607904009 1072688448 /nfs/dbraw/zinc/68/84/48/1072688448.db2.gz IUWQQMMTULODFE-HZPDHXFCSA-N 1 1 426.587 0.577 20 0 ICADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001607904010 1072688440 /nfs/dbraw/zinc/68/84/40/1072688440.db2.gz IUWQQMMTULODFE-JKSUJKDBSA-N 1 1 426.587 0.577 20 0 ICADMO C[NH+]1CCN(C(=O)CNC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CC1 ZINC001607904687 1072688583 /nfs/dbraw/zinc/68/85/83/1072688583.db2.gz ZACZDXQPTZESKG-CXUHLZMHSA-N 1 1 434.562 0.589 20 0 ICADMO C[NH+]1CCN(C(=O)CNC(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CC1 ZINC001607904691 1072688409 /nfs/dbraw/zinc/68/84/09/1072688409.db2.gz ZACZDXQPTZESKG-SXGWCWSVSA-N 1 1 434.562 0.589 20 0 ICADMO 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CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@]1(O)CCOC1 ZINC001608592970 1072717640 /nfs/dbraw/zinc/71/76/40/1072717640.db2.gz QIURYJKRVGFPAG-HXUWFJFHSA-N 1 1 434.566 0.951 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCCN1CCOCC1 ZINC001608593083 1072718129 /nfs/dbraw/zinc/71/81/29/1072718129.db2.gz UJGUDBJSXGEWDD-IBGZPJMESA-N 1 1 449.600 0.440 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCCN1CCOCC1 ZINC001608593084 1072718152 /nfs/dbraw/zinc/71/81/52/1072718152.db2.gz UJGUDBJSXGEWDD-LJQANCHMSA-N 1 1 449.600 0.440 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1Cc1nnc2n1CCC2 ZINC001608593254 1072718254 /nfs/dbraw/zinc/71/82/54/1072718254.db2.gz WYTRUBOIJGREDD-UHFFFAOYSA-N 1 1 445.572 0.549 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCNC(=O)OC(C)(C)C ZINC001608604035 1072718333 /nfs/dbraw/zinc/71/83/33/1072718333.db2.gz AMWCXHBCWUNYQK-HNNXBMFYSA-N 1 1 437.545 0.462 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCNC(=O)OC(C)(C)C 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CC(C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001609889355 1072726687 /nfs/dbraw/zinc/72/66/87/1072726687.db2.gz GNPRXNLBANTAQF-QZTJIDSGSA-N 1 1 447.584 0.472 20 0 ICADMO CC(C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001609889356 1072726621 /nfs/dbraw/zinc/72/66/21/1072726621.db2.gz GNPRXNLBANTAQF-ROUUACIJSA-N 1 1 447.584 0.472 20 0 ICADMO CC(C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001609889357 1072726705 /nfs/dbraw/zinc/72/67/05/1072726705.db2.gz GNPRXNLBANTAQF-ZWKOTPCHSA-N 1 1 447.584 0.472 20 0 ICADMO CC(C)NC(=O)CN(C)c1nnc(CN2CCCC2=O)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001610005135 1072728524 /nfs/dbraw/zinc/72/85/24/1072728524.db2.gz QMCQSFSMPDDLRL-UHFFFAOYSA-N 1 1 435.573 0.472 20 0 ICADMO CC(C)NC(=O)CN(C)c1nnc(CN2CCCC2=O)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001610005135 1072728518 /nfs/dbraw/zinc/72/85/18/1072728518.db2.gz QMCQSFSMPDDLRL-UHFFFAOYSA-N 1 1 435.573 0.472 20 0 ICADMO CC(C)NC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001610055775 1072729989 /nfs/dbraw/zinc/72/99/89/1072729989.db2.gz ILUXBQFYQKLFNG-GOSISDBHSA-N 1 1 442.568 0.551 20 0 ICADMO CC(C)NC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001610055776 1072729916 /nfs/dbraw/zinc/72/99/16/1072729916.db2.gz ILUXBQFYQKLFNG-SFHVURJKSA-N 1 1 442.568 0.551 20 0 ICADMO CC(C)NC(=O)Cn1c(-c2cnccn2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001610057264 1072730440 /nfs/dbraw/zinc/73/04/40/1072730440.db2.gz NGDLXPYIEGAGSR-INIZCTEOSA-N 1 1 428.541 0.949 20 0 ICADMO CC(C)NC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001610057358 1072730401 /nfs/dbraw/zinc/73/04/01/1072730401.db2.gz ONPLEEXGCKNDNI-KRWDZBQOSA-N 1 1 428.541 0.541 20 0 ICADMO CC(C)NC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001610057359 1072730452 /nfs/dbraw/zinc/73/04/52/1072730452.db2.gz ONPLEEXGCKNDNI-QGZVFWFLSA-N 1 1 428.541 0.541 20 0 ICADMO 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ZINC001611463005 1072778324 /nfs/dbraw/zinc/77/83/24/1072778324.db2.gz ACFAJRWFYIOBMP-IBGZPJMESA-N 1 1 434.566 0.988 20 0 ICADMO CN(C)[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1)c1cncn1C ZINC001611463005 1072778320 /nfs/dbraw/zinc/77/83/20/1072778320.db2.gz ACFAJRWFYIOBMP-IBGZPJMESA-N 1 1 434.566 0.988 20 0 ICADMO CN(C)[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1)c1cncn1C ZINC001611463006 1072778254 /nfs/dbraw/zinc/77/82/54/1072778254.db2.gz ACFAJRWFYIOBMP-LJQANCHMSA-N 1 1 434.566 0.988 20 0 ICADMO CN(C)[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1)c1cncn1C ZINC001611463006 1072778244 /nfs/dbraw/zinc/77/82/44/1072778244.db2.gz ACFAJRWFYIOBMP-LJQANCHMSA-N 1 1 434.566 0.988 20 0 ICADMO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001611477715 1072779233 /nfs/dbraw/zinc/77/92/33/1072779233.db2.gz FYQFIGJEPMVNMG-CVEARBPZSA-N 1 1 426.587 0.868 20 0 ICADMO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001611477716 1072779297 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/nfs/dbraw/zinc/79/26/51/1072792651.db2.gz KEUAWNIPCMNNPM-PMPSAXMXSA-N 1 1 430.575 0.082 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCN(CC(F)F)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001611619323 1072792581 /nfs/dbraw/zinc/79/25/81/1072792581.db2.gz MXKSYKYOHJFUOW-INIZCTEOSA-N 1 1 443.543 0.772 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCN(CC(F)F)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001611619324 1072792595 /nfs/dbraw/zinc/79/25/95/1072792595.db2.gz MXKSYKYOHJFUOW-MRXNPFEDSA-N 1 1 443.543 0.772 20 0 ICADMO CC(C)NC(=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001611619567 1072792628 /nfs/dbraw/zinc/79/26/28/1072792628.db2.gz RFAOVTBRLJSBLC-INIZCTEOSA-N 1 1 437.589 0.736 20 0 ICADMO CC(C)NC(=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001611619568 1072792528 /nfs/dbraw/zinc/79/25/28/1072792528.db2.gz RFAOVTBRLJSBLC-MRXNPFEDSA-N 1 1 437.589 0.736 20 0 ICADMO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@H]21)C[NH+]1CCOCC1 ZINC001611619631 1072793359 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C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCSC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001611664067 1072803499 /nfs/dbraw/zinc/80/34/99/1072803499.db2.gz WSKRAZTYUDWRRM-GJZGRUSLSA-N 1 1 446.643 0.941 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCSC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001611664068 1072803629 /nfs/dbraw/zinc/80/36/29/1072803629.db2.gz WSKRAZTYUDWRRM-HUUCEWRRSA-N 1 1 446.643 0.941 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCSC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001611664068 1072803613 /nfs/dbraw/zinc/80/36/13/1072803613.db2.gz WSKRAZTYUDWRRM-HUUCEWRRSA-N 1 1 446.643 0.941 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCSC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001611664069 1072803355 /nfs/dbraw/zinc/80/33/55/1072803355.db2.gz WSKRAZTYUDWRRM-LSDHHAIUSA-N 1 1 446.643 0.941 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCSC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001611664069 1072803336 /nfs/dbraw/zinc/80/33/36/1072803336.db2.gz WSKRAZTYUDWRRM-LSDHHAIUSA-N 1 1 446.643 0.941 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001611665680 1072804227 /nfs/dbraw/zinc/80/42/27/1072804227.db2.gz DCTVNFIOFBDIPO-CABCVRRESA-N 1 1 447.569 0.717 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001611665681 1072804032 /nfs/dbraw/zinc/80/40/32/1072804032.db2.gz DCTVNFIOFBDIPO-GJZGRUSLSA-N 1 1 447.569 0.717 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001611665682 1072803940 /nfs/dbraw/zinc/80/39/40/1072803940.db2.gz DCTVNFIOFBDIPO-HUUCEWRRSA-N 1 1 447.569 0.717 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001611665683 1072804141 /nfs/dbraw/zinc/80/41/41/1072804141.db2.gz DCTVNFIOFBDIPO-LSDHHAIUSA-N 1 1 447.569 0.717 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001611666500 1072805156 /nfs/dbraw/zinc/80/51/56/1072805156.db2.gz UVXKPNCWZHMENX-CABCVRRESA-N 1 1 447.569 0.717 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001611666501 1072804928 /nfs/dbraw/zinc/80/49/28/1072804928.db2.gz UVXKPNCWZHMENX-GJZGRUSLSA-N 1 1 447.569 0.717 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001611666502 1072805008 /nfs/dbraw/zinc/80/50/08/1072805008.db2.gz UVXKPNCWZHMENX-HUUCEWRRSA-N 1 1 447.569 0.717 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001611666503 1072805262 /nfs/dbraw/zinc/80/52/62/1072805262.db2.gz UVXKPNCWZHMENX-LSDHHAIUSA-N 1 1 447.569 0.717 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccon2)n1CCC[NH+]1CCOCC1 ZINC001611668245 1072806172 /nfs/dbraw/zinc/80/61/72/1072806172.db2.gz PBQZCRUOZXVAGW-AWEZNQCLSA-N 1 1 427.531 0.235 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccon2)n1CCC[NH+]1CCOCC1 ZINC001611668246 1072806806 /nfs/dbraw/zinc/80/68/06/1072806806.db2.gz PBQZCRUOZXVAGW-CQSZACIVSA-N 1 1 427.531 0.235 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCc2cnccn2)n1CC[N@@H+]1CC=CCC1 ZINC001611669512 1072806990 /nfs/dbraw/zinc/80/69/90/1072806990.db2.gz AFFQCEKXCLPQEV-INIZCTEOSA-N 1 1 434.570 0.619 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCc2cnccn2)n1CC[N@@H+]1CC=CCC1 ZINC001611669513 1072806690 /nfs/dbraw/zinc/80/66/90/1072806690.db2.gz AFFQCEKXCLPQEV-MRXNPFEDSA-N 1 1 434.570 0.619 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1[C@@H]1C[C@H]1CF ZINC001611671992 1072809205 /nfs/dbraw/zinc/80/92/05/1072809205.db2.gz JKLQXENLSIAXLV-QLFBSQMISA-N 1 1 432.566 0.966 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1[C@@H]1C[C@H]1CF ZINC001611671992 1072809195 /nfs/dbraw/zinc/80/91/95/1072809195.db2.gz JKLQXENLSIAXLV-QLFBSQMISA-N 1 1 432.566 0.966 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1[C@@H]1C[C@H]1CF ZINC001611671993 1072809032 /nfs/dbraw/zinc/80/90/32/1072809032.db2.gz JKLQXENLSIAXLV-SOUVJXGZSA-N 1 1 432.566 0.966 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1[C@@H]1C[C@H]1CF ZINC001611671993 1072809024 /nfs/dbraw/zinc/80/90/24/1072809024.db2.gz JKLQXENLSIAXLV-SOUVJXGZSA-N 1 1 432.566 0.966 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC(C)(C)O ZINC001611672792 1072810116 /nfs/dbraw/zinc/81/01/16/1072810116.db2.gz ZFWIBOZGFUYMSU-AWEZNQCLSA-N 1 1 432.591 0.206 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC(C)(C)O ZINC001611672792 1072810106 /nfs/dbraw/zinc/81/01/06/1072810106.db2.gz ZFWIBOZGFUYMSU-AWEZNQCLSA-N 1 1 432.591 0.206 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC(C)(C)O ZINC001611672793 1072810215 /nfs/dbraw/zinc/81/02/15/1072810215.db2.gz ZFWIBOZGFUYMSU-CQSZACIVSA-N 1 1 432.591 0.206 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC(C)(C)O ZINC001611672793 1072810205 /nfs/dbraw/zinc/81/02/05/1072810205.db2.gz ZFWIBOZGFUYMSU-CQSZACIVSA-N 1 1 432.591 0.206 20 0 ICADMO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC001611673882 1072811239 /nfs/dbraw/zinc/81/12/39/1072811239.db2.gz RIMGZXKIDNZASG-IHRRRGAJSA-N 1 1 427.575 0.038 20 0 ICADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC001611673883 1072811178 /nfs/dbraw/zinc/81/11/78/1072811178.db2.gz RIMGZXKIDNZASG-MCIONIFRSA-N 1 1 427.575 0.038 20 0 ICADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC001611673884 1072811198 /nfs/dbraw/zinc/81/11/98/1072811198.db2.gz RIMGZXKIDNZASG-MJBXVCDLSA-N 1 1 427.575 0.038 20 0 ICADMO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC001611673885 1072811215 /nfs/dbraw/zinc/81/12/15/1072811215.db2.gz RIMGZXKIDNZASG-RDBSUJKOSA-N 1 1 427.575 0.038 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001611674206 1072811756 /nfs/dbraw/zinc/81/17/56/1072811756.db2.gz XIVYGBLGIIKVAI-ILXRZTDVSA-N 1 1 427.575 0.040 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001611674207 1072811634 /nfs/dbraw/zinc/81/16/34/1072811634.db2.gz XIVYGBLGIIKVAI-KFWWJZLASA-N 1 1 427.575 0.040 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001611674208 1072811794 /nfs/dbraw/zinc/81/17/94/1072811794.db2.gz XIVYGBLGIIKVAI-KKUMJFAQSA-N 1 1 427.575 0.040 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001611674209 1072811710 /nfs/dbraw/zinc/81/17/10/1072811710.db2.gz XIVYGBLGIIKVAI-ZNMIVQPWSA-N 1 1 427.575 0.040 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CC(=O)NCC1CC1 ZINC001611677684 1072814979 /nfs/dbraw/zinc/81/49/79/1072814979.db2.gz UJTOHISQGCWCRD-DZKIICNBSA-N 1 1 439.586 0.087 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CC(=O)NCC1CC1 ZINC001611677685 1072815133 /nfs/dbraw/zinc/81/51/33/1072815133.db2.gz UJTOHISQGCWCRD-IJEWVQPXSA-N 1 1 439.586 0.087 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CC(=O)NCC1CC1 ZINC001611677686 1072815203 /nfs/dbraw/zinc/81/52/03/1072815203.db2.gz UJTOHISQGCWCRD-OFQRWUPVSA-N 1 1 439.586 0.087 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CC(=O)NCC1CC1 ZINC001611677687 1072815074 /nfs/dbraw/zinc/81/50/74/1072815074.db2.gz UJTOHISQGCWCRD-YCPHGPKFSA-N 1 1 439.586 0.087 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CCNC(=O)C1CC1 ZINC001611677762 1072815217 /nfs/dbraw/zinc/81/52/17/1072815217.db2.gz VNLLLEAVDKUJTA-DZKIICNBSA-N 1 1 439.586 0.087 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CCNC(=O)C1CC1 ZINC001611677763 1072815054 /nfs/dbraw/zinc/81/50/54/1072815054.db2.gz VNLLLEAVDKUJTA-IJEWVQPXSA-N 1 1 439.586 0.087 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CCNC(=O)C1CC1 ZINC001611677764 1072815090 /nfs/dbraw/zinc/81/50/90/1072815090.db2.gz VNLLLEAVDKUJTA-OFQRWUPVSA-N 1 1 439.586 0.087 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CCNC(=O)C1CC1 ZINC001611677765 1072815187 /nfs/dbraw/zinc/81/51/87/1072815187.db2.gz VNLLLEAVDKUJTA-YCPHGPKFSA-N 1 1 439.586 0.087 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1C[C@@H]1CC[C@H](CO)O1 ZINC001611677914 1072815151 /nfs/dbraw/zinc/81/51/51/1072815151.db2.gz XQCYAFFQEPIFJX-BPKGMFCQSA-N 1 1 442.586 0.101 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1C[C@@H]1CC[C@H](CO)O1 ZINC001611677915 1072814958 /nfs/dbraw/zinc/81/49/58/1072814958.db2.gz XQCYAFFQEPIFJX-JSRQGNBESA-N 1 1 442.586 0.101 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1C[C@@H]1CC[C@H](CO)O1 ZINC001611677916 1072815016 /nfs/dbraw/zinc/81/50/16/1072815016.db2.gz XQCYAFFQEPIFJX-QUSNUVHPSA-N 1 1 442.586 0.101 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1C[C@@H]1CC[C@H](CO)O1 ZINC001611677917 1072815233 /nfs/dbraw/zinc/81/52/33/1072815233.db2.gz 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0.991 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001611691592 1072824773 /nfs/dbraw/zinc/82/47/73/1072824773.db2.gz BRMIDKWCZWXKMB-DOXZYTNZSA-N 1 1 439.586 0.089 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001611691593 1072824997 /nfs/dbraw/zinc/82/49/97/1072824997.db2.gz BRMIDKWCZWXKMB-VCBZYWHSSA-N 1 1 439.586 0.089 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001611691594 1072824936 /nfs/dbraw/zinc/82/49/36/1072824936.db2.gz BRMIDKWCZWXKMB-YZVOILCLSA-N 1 1 439.586 0.089 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001611691595 1072824796 /nfs/dbraw/zinc/82/47/96/1072824796.db2.gz BRMIDKWCZWXKMB-ZRGWGRIASA-N 1 1 439.586 0.089 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc3C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001611692306 1072826080 /nfs/dbraw/zinc/82/60/80/1072826080.db2.gz OYDFWLNXLLSAPS-FOIQADDNSA-N 1 1 434.566 0.518 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc3C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001611692307 1072825966 /nfs/dbraw/zinc/82/59/66/1072825966.db2.gz OYDFWLNXLLSAPS-MGPUTAFESA-N 1 1 434.566 0.518 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc3C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001611692308 1072826014 /nfs/dbraw/zinc/82/60/14/1072826014.db2.gz OYDFWLNXLLSAPS-QRWLVFNGSA-N 1 1 434.566 0.518 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc3C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001611692309 1072825898 /nfs/dbraw/zinc/82/58/98/1072825898.db2.gz OYDFWLNXLLSAPS-YWZLYKJASA-N 1 1 434.566 0.518 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001611692850 1072826966 /nfs/dbraw/zinc/82/69/66/1072826966.db2.gz ZPUJRGUVCJMVGW-AWEZNQCLSA-N 1 1 437.570 0.892 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001611692851 1072827067 /nfs/dbraw/zinc/82/70/67/1072827067.db2.gz ZPUJRGUVCJMVGW-CQSZACIVSA-N 1 1 437.570 0.892 20 0 ICADMO CC(C)[N@@H+](C)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001611692882 1072826886 /nfs/dbraw/zinc/82/68/86/1072826886.db2.gz ZXXWGKFTGDIKJN-BEFAXECRSA-N 1 1 441.602 0.335 20 0 ICADMO CC(C)[N@@H+](C)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001611692883 1072827020 /nfs/dbraw/zinc/82/70/20/1072827020.db2.gz ZXXWGKFTGDIKJN-DNVCBOLYSA-N 1 1 441.602 0.335 20 0 ICADMO CC(C)[N@@H+](C)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001611692884 1072827039 /nfs/dbraw/zinc/82/70/39/1072827039.db2.gz ZXXWGKFTGDIKJN-HNAYVOBHSA-N 1 1 441.602 0.335 20 0 ICADMO CC(C)[N@@H+](C)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001611692885 1072826836 /nfs/dbraw/zinc/82/68/36/1072826836.db2.gz ZXXWGKFTGDIKJN-KXBFYZLASA-N 1 1 441.602 0.335 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@H]3C2)n1CC[N@@H+]1CC=CCC1 ZINC001611694872 1072828562 /nfs/dbraw/zinc/82/85/62/1072828562.db2.gz UHMMTWFITPXZGV-KKUMJFAQSA-N 1 1 440.526 0.264 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3OC(=O)O[C@@H]3C2)n1CC[N@@H+]1CC=CCC1 ZINC001611694873 1072828342 /nfs/dbraw/zinc/82/83/42/1072828342.db2.gz UHMMTWFITPXZGV-RRFJBIMHSA-N 1 1 440.526 0.264 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@@H]3C2)n1CC[N@@H+]1CC=CCC1 ZINC001611694874 1072828437 /nfs/dbraw/zinc/82/84/37/1072828437.db2.gz UHMMTWFITPXZGV-SOUVJXGZSA-N 1 1 440.526 0.264 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3OC(=O)O[C@H]3C2)n1CC[N@@H+]1CC=CCC1 ZINC001611694875 1072828530 /nfs/dbraw/zinc/82/85/30/1072828530.db2.gz UHMMTWFITPXZGV-ZNMIVQPWSA-N 1 1 440.526 0.264 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001611695304 1072829294 /nfs/dbraw/zinc/82/92/94/1072829294.db2.gz ZYFHTDVCAXLXDP-AHIWAGSCSA-N 1 1 436.529 0.436 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001611695305 1072829445 /nfs/dbraw/zinc/82/94/45/1072829445.db2.gz ZYFHTDVCAXLXDP-DCGLDWPTSA-N 1 1 436.529 0.436 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001611695306 1072829508 /nfs/dbraw/zinc/82/95/08/1072829508.db2.gz ZYFHTDVCAXLXDP-GDZNZVCISA-N 1 1 436.529 0.436 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001611695307 1072829367 /nfs/dbraw/zinc/82/93/67/1072829367.db2.gz ZYFHTDVCAXLXDP-OGHNNQOOSA-N 1 1 436.529 0.436 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001611697012 1072829733 /nfs/dbraw/zinc/82/97/33/1072829733.db2.gz PAPFPVHIOVQDLJ-CABCVRRESA-N 1 1 429.591 0.320 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001611697013 1072829957 /nfs/dbraw/zinc/82/99/57/1072829957.db2.gz PAPFPVHIOVQDLJ-GJZGRUSLSA-N 1 1 429.591 0.320 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001611697014 1072829899 /nfs/dbraw/zinc/82/98/99/1072829899.db2.gz PAPFPVHIOVQDLJ-HUUCEWRRSA-N 1 1 429.591 0.320 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001611697015 1072829781 /nfs/dbraw/zinc/82/97/81/1072829781.db2.gz PAPFPVHIOVQDLJ-LSDHHAIUSA-N 1 1 429.591 0.320 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1COCCO1 ZINC001611701229 1072831694 /nfs/dbraw/zinc/83/16/94/1072831694.db2.gz RAULEHDPRNGCJZ-CVEARBPZSA-N 1 1 444.602 0.614 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1COCCO1 ZINC001611701230 1072831649 /nfs/dbraw/zinc/83/16/49/1072831649.db2.gz RAULEHDPRNGCJZ-HOTGVXAUSA-N 1 1 444.602 0.614 20 0 ICADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001611701475 1072831861 /nfs/dbraw/zinc/83/18/61/1072831861.db2.gz UVXSOQRKWJMSSB-BEFAXECRSA-N 1 1 441.602 0.287 20 0 ICADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001611701476 1072831915 /nfs/dbraw/zinc/83/19/15/1072831915.db2.gz UVXSOQRKWJMSSB-DNVCBOLYSA-N 1 1 441.602 0.287 20 0 ICADMO CC(C)[N@H+]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001611701477 1072831827 /nfs/dbraw/zinc/83/18/27/1072831827.db2.gz UVXSOQRKWJMSSB-HNAYVOBHSA-N 1 1 441.602 0.287 20 0 ICADMO CC(C)[N@H+]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001611701478 1072831895 /nfs/dbraw/zinc/83/18/95/1072831895.db2.gz UVXSOQRKWJMSSB-KXBFYZLASA-N 1 1 441.602 0.287 20 0 ICADMO COc1ccc(C2N=NC(=S)N2CCC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)cc1 ZINC001611701979 1072832192 /nfs/dbraw/zinc/83/21/92/1072832192.db2.gz KDTWWVWJORFCHR-HRAATJIYSA-N 1 1 447.561 0.974 20 0 ICADMO CC(C)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCCC2)CC1 ZINC001611704997 1072833764 /nfs/dbraw/zinc/83/37/64/1072833764.db2.gz LKTYSYLPFMGSRG-KRWDZBQOSA-N 1 1 427.619 0.905 20 0 ICADMO CC(C)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCCC2)CC1 ZINC001611704998 1072833846 /nfs/dbraw/zinc/83/38/46/1072833846.db2.gz LKTYSYLPFMGSRG-QGZVFWFLSA-N 1 1 427.619 0.905 20 0 ICADMO CC(C)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)CCC2)CC1 ZINC001611705329 1072833893 /nfs/dbraw/zinc/83/38/93/1072833893.db2.gz QRXVCPUYCUCAEJ-INIZCTEOSA-N 1 1 427.619 0.903 20 0 ICADMO CC(C)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)CCC2)CC1 ZINC001611705330 1072833921 /nfs/dbraw/zinc/83/39/21/1072833921.db2.gz QRXVCPUYCUCAEJ-MRXNPFEDSA-N 1 1 427.619 0.903 20 0 ICADMO CC(C)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCCC2)CC1 ZINC001611705357 1072834217 /nfs/dbraw/zinc/83/42/17/1072834217.db2.gz RGRCGHBDEIEXKA-KRWDZBQOSA-N 1 1 427.619 0.905 20 0 ICADMO CC(C)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCCC2)CC1 ZINC001611705358 1072834445 /nfs/dbraw/zinc/83/44/45/1072834445.db2.gz RGRCGHBDEIEXKA-QGZVFWFLSA-N 1 1 427.619 0.905 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001611705774 1072834269 /nfs/dbraw/zinc/83/42/69/1072834269.db2.gz YUQQBJPIFSOSII-AWEZNQCLSA-N 1 1 427.575 0.041 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001611705775 1072834376 /nfs/dbraw/zinc/83/43/76/1072834376.db2.gz YUQQBJPIFSOSII-CQSZACIVSA-N 1 1 427.575 0.041 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(F)F)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001611708587 1072836685 /nfs/dbraw/zinc/83/66/85/1072836685.db2.gz BSXUQCSYGVPQBL-CABCVRRESA-N 1 1 449.572 0.760 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(F)F)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001611708588 1072836493 /nfs/dbraw/zinc/83/64/93/1072836493.db2.gz BSXUQCSYGVPQBL-GJZGRUSLSA-N 1 1 449.572 0.760 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(F)F)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001611708589 1072836666 /nfs/dbraw/zinc/83/66/66/1072836666.db2.gz BSXUQCSYGVPQBL-HUUCEWRRSA-N 1 1 449.572 0.760 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(F)F)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001611708590 1072836650 /nfs/dbraw/zinc/83/66/50/1072836650.db2.gz BSXUQCSYGVPQBL-LSDHHAIUSA-N 1 1 449.572 0.760 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCC(C)(C)O ZINC001611709731 1072837061 /nfs/dbraw/zinc/83/70/61/1072837061.db2.gz WUQUDBOCAASABK-CVEARBPZSA-N 1 1 444.602 0.350 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCC(C)(C)O ZINC001611709732 1072837116 /nfs/dbraw/zinc/83/71/16/1072837116.db2.gz WUQUDBOCAASABK-HOTGVXAUSA-N 1 1 444.602 0.350 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCC(C)(C)O ZINC001611709733 1072837251 /nfs/dbraw/zinc/83/72/51/1072837251.db2.gz WUQUDBOCAASABK-HZPDHXFCSA-N 1 1 444.602 0.350 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCC(C)(C)O ZINC001611709734 1072837287 /nfs/dbraw/zinc/83/72/87/1072837287.db2.gz WUQUDBOCAASABK-JKSUJKDBSA-N 1 1 444.602 0.350 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC1([S@@](C)=O)CC1 ZINC001611709805 1072837138 /nfs/dbraw/zinc/83/71/38/1072837138.db2.gz XYZJUJMNXHCXFN-GMYLUUGSSA-N 1 1 444.627 0.331 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC1([S@@](C)=O)CC1 ZINC001611709806 1072837083 /nfs/dbraw/zinc/83/70/83/1072837083.db2.gz XYZJUJMNXHCXFN-HJFSHJIFSA-N 1 1 444.627 0.331 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC1([S@](C)=O)CC1 ZINC001611709807 1072837165 /nfs/dbraw/zinc/83/71/65/1072837165.db2.gz XYZJUJMNXHCXFN-POXGOYDTSA-N 1 1 444.627 0.331 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC1([S@](C)=O)CC1 ZINC001611709808 1072837629 /nfs/dbraw/zinc/83/76/29/1072837629.db2.gz XYZJUJMNXHCXFN-SUMNFNSASA-N 1 1 444.627 0.331 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CC1(O)CCCC1 ZINC001611710743 1072838174 /nfs/dbraw/zinc/83/81/74/1072838174.db2.gz DVKONOAGOKDICO-CVEARBPZSA-N 1 1 426.587 0.868 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CC1(O)CCCC1 ZINC001611710744 1072838266 /nfs/dbraw/zinc/83/82/66/1072838266.db2.gz DVKONOAGOKDICO-HOTGVXAUSA-N 1 1 426.587 0.868 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CC1(O)CCCC1 ZINC001611710745 1072838383 /nfs/dbraw/zinc/83/83/83/1072838383.db2.gz DVKONOAGOKDICO-HZPDHXFCSA-N 1 1 426.587 0.868 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CC1(O)CCCC1 ZINC001611710746 1072838316 /nfs/dbraw/zinc/83/83/16/1072838316.db2.gz DVKONOAGOKDICO-JKSUJKDBSA-N 1 1 426.587 0.868 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCc1ccccn1 ZINC001611710963 1072839085 /nfs/dbraw/zinc/83/90/85/1072839085.db2.gz IFDXGCFDRFIHFQ-DOTOQJQBSA-N 1 1 435.554 0.047 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCc1ccccn1 ZINC001611710963 1072839078 /nfs/dbraw/zinc/83/90/78/1072839078.db2.gz IFDXGCFDRFIHFQ-DOTOQJQBSA-N 1 1 435.554 0.047 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCc1ccccn1 ZINC001611710964 1072839048 /nfs/dbraw/zinc/83/90/48/1072839048.db2.gz IFDXGCFDRFIHFQ-NVXWUHKLSA-N 1 1 435.554 0.047 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCc1ccccn1 ZINC001611710964 1072839039 /nfs/dbraw/zinc/83/90/39/1072839039.db2.gz IFDXGCFDRFIHFQ-NVXWUHKLSA-N 1 1 435.554 0.047 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCc1ccccn1 ZINC001611710965 1072838949 /nfs/dbraw/zinc/83/89/49/1072838949.db2.gz IFDXGCFDRFIHFQ-RDJZCZTQSA-N 1 1 435.554 0.047 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCc1ccccn1 ZINC001611710965 1072838940 /nfs/dbraw/zinc/83/89/40/1072838940.db2.gz IFDXGCFDRFIHFQ-RDJZCZTQSA-N 1 1 435.554 0.047 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCc1ccccn1 ZINC001611710966 1072838827 /nfs/dbraw/zinc/83/88/27/1072838827.db2.gz IFDXGCFDRFIHFQ-WBVHZDCISA-N 1 1 435.554 0.047 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCc1ccccn1 ZINC001611710966 1072838823 /nfs/dbraw/zinc/83/88/23/1072838823.db2.gz IFDXGCFDRFIHFQ-WBVHZDCISA-N 1 1 435.554 0.047 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@@]1(O)CCSC1 ZINC001611711131 1072839103 /nfs/dbraw/zinc/83/91/03/1072839103.db2.gz KKGRPISPFBZLGJ-DAYGRLMNSA-N 1 1 444.627 0.431 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@]1(O)CCSC1 ZINC001611711132 1072838985 /nfs/dbraw/zinc/83/89/85/1072838985.db2.gz KKGRPISPFBZLGJ-HDMKZQKVSA-N 1 1 444.627 0.431 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@@]1(O)CCSC1 ZINC001611711133 1072838769 /nfs/dbraw/zinc/83/87/69/1072838769.db2.gz KKGRPISPFBZLGJ-MPGHIAIKSA-N 1 1 444.627 0.431 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@]1(O)CCSC1 ZINC001611711134 1072838857 /nfs/dbraw/zinc/83/88/57/1072838857.db2.gz KKGRPISPFBZLGJ-RLFYNMQTSA-N 1 1 444.627 0.431 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCC1(O)CCC1 ZINC001611711147 1072838894 /nfs/dbraw/zinc/83/88/94/1072838894.db2.gz KODBKBOHDGPHBT-CVEARBPZSA-N 1 1 426.587 0.868 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCC1(O)CCC1 ZINC001611711148 1072839669 /nfs/dbraw/zinc/83/96/69/1072839669.db2.gz KODBKBOHDGPHBT-HOTGVXAUSA-N 1 1 426.587 0.868 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCC1(O)CCC1 ZINC001611711149 1072839578 /nfs/dbraw/zinc/83/95/78/1072839578.db2.gz KODBKBOHDGPHBT-HZPDHXFCSA-N 1 1 426.587 0.868 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCC1(O)CCC1 ZINC001611711150 1072839536 /nfs/dbraw/zinc/83/95/36/1072839536.db2.gz KODBKBOHDGPHBT-JKSUJKDBSA-N 1 1 426.587 0.868 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001611711167 1072839624 /nfs/dbraw/zinc/83/96/24/1072839624.db2.gz KSRMJYWUSJDDSR-GDBMZVCRSA-N 1 1 439.586 0.232 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001611711168 1072839516 /nfs/dbraw/zinc/83/95/16/1072839516.db2.gz KSRMJYWUSJDDSR-GOEBONIOSA-N 1 1 439.586 0.232 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001611711169 1072839711 /nfs/dbraw/zinc/83/97/11/1072839711.db2.gz KSRMJYWUSJDDSR-HOCLYGCPSA-N 1 1 439.586 0.232 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001611711170 1072839646 /nfs/dbraw/zinc/83/96/46/1072839646.db2.gz KSRMJYWUSJDDSR-ZBFHGGJFSA-N 1 1 439.586 0.232 20 0 ICADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001611711209 1072839756 /nfs/dbraw/zinc/83/97/56/1072839756.db2.gz LFSAMPLYILXYHU-CVEARBPZSA-N 1 1 449.581 0.345 20 0 ICADMO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001611711210 1072839734 /nfs/dbraw/zinc/83/97/34/1072839734.db2.gz LFSAMPLYILXYHU-HOTGVXAUSA-N 1 1 449.581 0.345 20 0 ICADMO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001611711211 1072839499 /nfs/dbraw/zinc/83/94/99/1072839499.db2.gz LFSAMPLYILXYHU-HZPDHXFCSA-N 1 1 449.581 0.345 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001611711212 1072839451 /nfs/dbraw/zinc/83/94/51/1072839451.db2.gz LFSAMPLYILXYHU-JKSUJKDBSA-N 1 1 449.581 0.345 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1Cc1cccc(F)c1 ZINC001611711847 1072841153 /nfs/dbraw/zinc/84/11/53/1072841153.db2.gz UQKMFILZQFRTGH-PBHICJAKSA-N 1 1 438.529 0.597 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1Cc1cccc(F)c1 ZINC001611711847 1072841145 /nfs/dbraw/zinc/84/11/45/1072841145.db2.gz UQKMFILZQFRTGH-PBHICJAKSA-N 1 1 438.529 0.597 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1Cc1cccc(F)c1 ZINC001611711848 1072841526 /nfs/dbraw/zinc/84/15/26/1072841526.db2.gz UQKMFILZQFRTGH-RHSMWYFYSA-N 1 1 438.529 0.597 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1Cc1cccc(F)c1 ZINC001611711848 1072841518 /nfs/dbraw/zinc/84/15/18/1072841518.db2.gz UQKMFILZQFRTGH-RHSMWYFYSA-N 1 1 438.529 0.597 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1Cc1cccc(F)c1 ZINC001611711849 1072841717 /nfs/dbraw/zinc/84/17/17/1072841717.db2.gz UQKMFILZQFRTGH-WMLDXEAASA-N 1 1 438.529 0.597 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1Cc1cccc(F)c1 ZINC001611711849 1072841703 /nfs/dbraw/zinc/84/17/03/1072841703.db2.gz UQKMFILZQFRTGH-WMLDXEAASA-N 1 1 438.529 0.597 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1Cc1cccc(F)c1 ZINC001611711850 1072841656 /nfs/dbraw/zinc/84/16/56/1072841656.db2.gz UQKMFILZQFRTGH-YOEHRIQHSA-N 1 1 438.529 0.597 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1Cc1cccc(F)c1 ZINC001611711850 1072841646 /nfs/dbraw/zinc/84/16/46/1072841646.db2.gz UQKMFILZQFRTGH-YOEHRIQHSA-N 1 1 438.529 0.597 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC(C)(C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001611713319 1072842567 /nfs/dbraw/zinc/84/25/67/1072842567.db2.gz HZAMDUFFZUGBRS-HNNXBMFYSA-N 1 1 444.602 0.614 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC(C)(C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001611713319 1072842552 /nfs/dbraw/zinc/84/25/52/1072842552.db2.gz HZAMDUFFZUGBRS-HNNXBMFYSA-N 1 1 444.602 0.614 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC(C)(C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001611713320 1072842692 /nfs/dbraw/zinc/84/26/92/1072842692.db2.gz HZAMDUFFZUGBRS-OAHLLOKOSA-N 1 1 444.602 0.614 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC(C)(C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001611713320 1072842680 /nfs/dbraw/zinc/84/26/80/1072842680.db2.gz HZAMDUFFZUGBRS-OAHLLOKOSA-N 1 1 444.602 0.614 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001611715200 1072843475 /nfs/dbraw/zinc/84/34/75/1072843475.db2.gz BFMWXSZRADDDSB-GDBMZVCRSA-N 1 1 444.627 0.474 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001611715201 1072843668 /nfs/dbraw/zinc/84/36/68/1072843668.db2.gz BFMWXSZRADDDSB-GOEBONIOSA-N 1 1 444.627 0.474 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001611715202 1072844246 /nfs/dbraw/zinc/84/42/46/1072844246.db2.gz BFMWXSZRADDDSB-HOCLYGCPSA-N 1 1 444.627 0.474 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001611715203 1072844022 /nfs/dbraw/zinc/84/40/22/1072844022.db2.gz BFMWXSZRADDDSB-ZBFHGGJFSA-N 1 1 444.627 0.474 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOCC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001611715204 1072844059 /nfs/dbraw/zinc/84/40/59/1072844059.db2.gz BGHXSRPMMORYBT-HNNXBMFYSA-N 1 1 440.545 0.996 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOCC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001611715205 1072844156 /nfs/dbraw/zinc/84/41/56/1072844156.db2.gz BGHXSRPMMORYBT-OAHLLOKOSA-N 1 1 440.545 0.996 20 0 ICADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CC2)C1)[N@@H+](C)C1CC1 ZINC001611716346 1072845984 /nfs/dbraw/zinc/84/59/84/1072845984.db2.gz USQAWNXMKOLFCY-CABCVRRESA-N 1 1 426.587 0.988 20 0 ICADMO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CC2)C1)[N@@H+](C)C1CC1 ZINC001611716347 1072846115 /nfs/dbraw/zinc/84/61/15/1072846115.db2.gz USQAWNXMKOLFCY-GJZGRUSLSA-N 1 1 426.587 0.988 20 0 ICADMO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CC2)C1)[N@@H+](C)C1CC1 ZINC001611716348 1072845881 /nfs/dbraw/zinc/84/58/81/1072845881.db2.gz USQAWNXMKOLFCY-HUUCEWRRSA-N 1 1 426.587 0.988 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOCC3(CC3)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001611716349 1072846071 /nfs/dbraw/zinc/84/60/71/1072846071.db2.gz USQAWNXMKOLFCY-LSDHHAIUSA-N 1 1 426.587 0.988 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001611716372 1072846173 /nfs/dbraw/zinc/84/61/73/1072846173.db2.gz VLZNRBXGUTUPEC-HNNXBMFYSA-N 1 1 446.643 0.579 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001611716373 1072845914 /nfs/dbraw/zinc/84/59/14/1072845914.db2.gz VLZNRBXGUTUPEC-OAHLLOKOSA-N 1 1 446.643 0.579 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC001611716438 1072846709 /nfs/dbraw/zinc/84/67/09/1072846709.db2.gz WTEYGQPNRBWBTN-BXWFABGCSA-N 1 1 444.602 0.613 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC001611716439 1072846480 /nfs/dbraw/zinc/84/64/80/1072846480.db2.gz WTEYGQPNRBWBTN-FCEWJHQRSA-N 1 1 444.602 0.613 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC001611716440 1072846590 /nfs/dbraw/zinc/84/65/90/1072846590.db2.gz WTEYGQPNRBWBTN-FRQCXROJSA-N 1 1 444.602 0.613 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 ZINC001611716441 1072846813 /nfs/dbraw/zinc/84/68/13/1072846813.db2.gz WTEYGQPNRBWBTN-TXPKVOOTSA-N 1 1 444.602 0.613 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOCC3(CC3)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001611716524 1072846567 /nfs/dbraw/zinc/84/65/67/1072846567.db2.gz YTUPMPOBLYQDHO-CVEARBPZSA-N 1 1 426.587 0.989 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOCC3(CC3)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001611716525 1072846832 /nfs/dbraw/zinc/84/68/32/1072846832.db2.gz YTUPMPOBLYQDHO-HOTGVXAUSA-N 1 1 426.587 0.989 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOCC3(CC3)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001611716526 1072846762 /nfs/dbraw/zinc/84/67/62/1072846762.db2.gz YTUPMPOBLYQDHO-HZPDHXFCSA-N 1 1 426.587 0.989 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOCC3(CC3)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001611716527 1072846452 /nfs/dbraw/zinc/84/64/52/1072846452.db2.gz YTUPMPOBLYQDHO-JKSUJKDBSA-N 1 1 426.587 0.989 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001611717168 1072847507 /nfs/dbraw/zinc/84/75/07/1072847507.db2.gz KYYHAEBXIYDLFN-AWEZNQCLSA-N 1 1 432.616 0.552 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001611717168 1072847488 /nfs/dbraw/zinc/84/74/88/1072847488.db2.gz KYYHAEBXIYDLFN-AWEZNQCLSA-N 1 1 432.616 0.552 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001611717169 1072847790 /nfs/dbraw/zinc/84/77/90/1072847790.db2.gz KYYHAEBXIYDLFN-CQSZACIVSA-N 1 1 432.616 0.552 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001611717169 1072847775 /nfs/dbraw/zinc/84/77/75/1072847775.db2.gz KYYHAEBXIYDLFN-CQSZACIVSA-N 1 1 432.616 0.552 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001611717196 1072847598 /nfs/dbraw/zinc/84/75/98/1072847598.db2.gz LMVJHGXKSSAPFF-AESZEHBQSA-N 1 1 426.587 0.580 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001611717197 1072847899 /nfs/dbraw/zinc/84/78/99/1072847899.db2.gz LMVJHGXKSSAPFF-AIANPOQGSA-N 1 1 426.587 0.580 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001611717198 1072847558 /nfs/dbraw/zinc/84/75/58/1072847558.db2.gz LMVJHGXKSSAPFF-ANQUJSFKSA-N 1 1 426.587 0.580 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001611717199 1072847753 /nfs/dbraw/zinc/84/77/53/1072847753.db2.gz LMVJHGXKSSAPFF-DLTWYDFYSA-N 1 1 426.587 0.580 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(Nc2ccn(C)n2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001611718655 1072849405 /nfs/dbraw/zinc/84/94/05/1072849405.db2.gz DBRJPFRKJVPYIM-KBPBESRZSA-N 1 1 426.547 0.212 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(Nc2ccn(C)n2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001611718656 1072849521 /nfs/dbraw/zinc/84/95/21/1072849521.db2.gz DBRJPFRKJVPYIM-KGLIPLIRSA-N 1 1 426.547 0.212 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(Nc2ccn(C)n2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001611718657 1072849716 /nfs/dbraw/zinc/84/97/16/1072849716.db2.gz DBRJPFRKJVPYIM-UONOGXRCSA-N 1 1 426.547 0.212 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(Nc2ccn(C)n2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001611718658 1072849444 /nfs/dbraw/zinc/84/94/44/1072849444.db2.gz DBRJPFRKJVPYIM-ZIAGYGMSSA-N 1 1 426.547 0.212 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(Nc2ccn(C)n2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001611719397 1072850146 /nfs/dbraw/zinc/85/01/46/1072850146.db2.gz UHJXHNPFXSTQSH-AWEZNQCLSA-N 1 1 439.590 0.391 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(Nc2ccn(C)n2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001611719398 1072850077 /nfs/dbraw/zinc/85/00/77/1072850077.db2.gz UHJXHNPFXSTQSH-CQSZACIVSA-N 1 1 439.590 0.391 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001611719581 1072850733 /nfs/dbraw/zinc/85/07/33/1072850733.db2.gz XPTKZXPGKVLNFW-FZKCQIBNSA-N 1 1 437.570 0.961 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001611719582 1072850806 /nfs/dbraw/zinc/85/08/06/1072850806.db2.gz XPTKZXPGKVLNFW-QKPAOTATSA-N 1 1 437.570 0.961 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001611719583 1072850612 /nfs/dbraw/zinc/85/06/12/1072850612.db2.gz XPTKZXPGKVLNFW-QXSJWSMHSA-N 1 1 437.570 0.961 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001611719584 1072850659 /nfs/dbraw/zinc/85/06/59/1072850659.db2.gz XPTKZXPGKVLNFW-XUWVNRHRSA-N 1 1 437.570 0.961 20 0 ICADMO C[C@]1(C(N)=O)CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001611776402 1072852372 /nfs/dbraw/zinc/85/23/72/1072852372.db2.gz HYOZIOKYKUBCKC-AVRDEDQJSA-N 1 1 427.553 0.812 20 0 ICADMO C[C@]1(C(N)=O)CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001611776403 1072853086 /nfs/dbraw/zinc/85/30/86/1072853086.db2.gz HYOZIOKYKUBCKC-GCJKJVERSA-N 1 1 427.553 0.812 20 0 ICADMO C[C@@]1(C(N)=O)CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001611776404 1072852970 /nfs/dbraw/zinc/85/29/70/1072852970.db2.gz HYOZIOKYKUBCKC-PGRDOPGGSA-N 1 1 427.553 0.812 20 0 ICADMO C[C@@]1(C(N)=O)CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001611776405 1072852844 /nfs/dbraw/zinc/85/28/44/1072852844.db2.gz HYOZIOKYKUBCKC-XMSQKQJNSA-N 1 1 427.553 0.812 20 0 ICADMO CC1(C)CCC[N@@H+](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)CC2)C1 ZINC001611785260 1072854339 /nfs/dbraw/zinc/85/43/39/1072854339.db2.gz JGZPNZITWPSDRQ-INIZCTEOSA-N 1 1 438.598 0.629 20 0 ICADMO CC1(C)CCC[N@H+](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)CC2)C1 ZINC001611785260 1072854328 /nfs/dbraw/zinc/85/43/28/1072854328.db2.gz JGZPNZITWPSDRQ-INIZCTEOSA-N 1 1 438.598 0.629 20 0 ICADMO CC1(C)CCC[N@@H+](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)CC2)C1 ZINC001611785261 1072854636 /nfs/dbraw/zinc/85/46/36/1072854636.db2.gz JGZPNZITWPSDRQ-MRXNPFEDSA-N 1 1 438.598 0.629 20 0 ICADMO CC1(C)CCC[N@H+](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)CC2)C1 ZINC001611785261 1072854621 /nfs/dbraw/zinc/85/46/21/1072854621.db2.gz JGZPNZITWPSDRQ-MRXNPFEDSA-N 1 1 438.598 0.629 20 0 ICADMO CC1(C)CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@H+]2CCCO)CCO1 ZINC001611795679 1072855217 /nfs/dbraw/zinc/85/52/17/1072855217.db2.gz HDRNLFPQMWVSLO-DLBZAZTESA-N 1 1 441.598 0.642 20 0 ICADMO CC1(C)CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@H+]2CCCO)CCO1 ZINC001611795682 1072855542 /nfs/dbraw/zinc/85/55/42/1072855542.db2.gz HDRNLFPQMWVSLO-IAGOWNOFSA-N 1 1 441.598 0.642 20 0 ICADMO CC1(C)CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@H+]2CCCO)CCO1 ZINC001611795683 1072855393 /nfs/dbraw/zinc/85/53/93/1072855393.db2.gz HDRNLFPQMWVSLO-IRXDYDNUSA-N 1 1 441.598 0.642 20 0 ICADMO CC1(C)CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@H+]2CCCO)CCO1 ZINC001611795684 1072855342 /nfs/dbraw/zinc/85/53/42/1072855342.db2.gz HDRNLFPQMWVSLO-SJORKVTESA-N 1 1 441.598 0.642 20 0 ICADMO CC1(C)C[N@@H+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC2)CCO1 ZINC001611797042 1072856169 /nfs/dbraw/zinc/85/61/69/1072856169.db2.gz JIZZMGHPWZSRLU-INIZCTEOSA-N 1 1 442.586 0.322 20 0 ICADMO CC1(C)C[N@H+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC2)CCO1 ZINC001611797042 1072856153 /nfs/dbraw/zinc/85/61/53/1072856153.db2.gz JIZZMGHPWZSRLU-INIZCTEOSA-N 1 1 442.586 0.322 20 0 ICADMO CC1(C)C[N@@H+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC2)CCO1 ZINC001611797043 1072855952 /nfs/dbraw/zinc/85/59/52/1072855952.db2.gz JIZZMGHPWZSRLU-MRXNPFEDSA-N 1 1 442.586 0.322 20 0 ICADMO CC1(C)C[N@H+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC2)CCO1 ZINC001611797043 1072855933 /nfs/dbraw/zinc/85/59/33/1072855933.db2.gz JIZZMGHPWZSRLU-MRXNPFEDSA-N 1 1 442.586 0.322 20 0 ICADMO CC1(C)C[N@@H+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CCO1 ZINC001611797071 1072855999 /nfs/dbraw/zinc/85/59/99/1072855999.db2.gz JYSGTBCEKLXHQJ-INIZCTEOSA-N 1 1 433.557 0.432 20 0 ICADMO CC1(C)C[N@H+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CCO1 ZINC001611797071 1072855979 /nfs/dbraw/zinc/85/59/79/1072855979.db2.gz JYSGTBCEKLXHQJ-INIZCTEOSA-N 1 1 433.557 0.432 20 0 ICADMO CC1(C)C[N@@H+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CCO1 ZINC001611797072 1072855851 /nfs/dbraw/zinc/85/58/51/1072855851.db2.gz JYSGTBCEKLXHQJ-MRXNPFEDSA-N 1 1 433.557 0.432 20 0 ICADMO CC1(C)C[N@H+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CCO1 ZINC001611797072 1072855839 /nfs/dbraw/zinc/85/58/39/1072855839.db2.gz JYSGTBCEKLXHQJ-MRXNPFEDSA-N 1 1 433.557 0.432 20 0 ICADMO CC1(C)C[N@@H+](CCn2c(-c3ccccn3)nnc2N2CCC(OCC(N)=O)CC2)CCO1 ZINC001611797603 1072855816 /nfs/dbraw/zinc/85/58/16/1072855816.db2.gz TZYCDJOMMZPCJF-UHFFFAOYSA-N 1 1 443.552 0.922 20 0 ICADMO CC1(C)C[N@H+](CCn2c(-c3ccccn3)nnc2N2CCC(OCC(N)=O)CC2)CCO1 ZINC001611797603 1072855799 /nfs/dbraw/zinc/85/57/99/1072855799.db2.gz TZYCDJOMMZPCJF-UHFFFAOYSA-N 1 1 443.552 0.922 20 0 ICADMO CC1(C)COCC[N@H+]1CCn1c(-c2cccnc2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001611799015 1072856467 /nfs/dbraw/zinc/85/64/67/1072856467.db2.gz AVWNUNHPGZZJNJ-UHFFFAOYSA-N 1 1 443.552 0.922 20 0 ICADMO CC1(C)COCC[N@@H+]1CCn1c(-c2cccnc2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001611799015 1072856443 /nfs/dbraw/zinc/85/64/43/1072856443.db2.gz AVWNUNHPGZZJNJ-UHFFFAOYSA-N 1 1 443.552 0.922 20 0 ICADMO CC1(C)COCC[N@H+]1CCn1c(C2CCC2)nnc1N1CCN(S(C)(=O)=O)CC1 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/nfs/dbraw/zinc/85/76/75/1072857675.db2.gz CFDFCTPYEVOZAO-OAQYLSRUSA-N 1 1 436.557 0.101 20 0 ICADMO C[C@@]1([NH+]2CCOCC2)CCN(c2nnc(Cc3cccnc3)n2CCOCCCO)C1 ZINC001611808296 1072857737 /nfs/dbraw/zinc/85/77/37/1072857737.db2.gz UHXJGNSAGMULCS-JOCHJYFZSA-N 1 1 430.553 0.964 20 0 ICADMO C[C@]1([NH+]2CCOCC2)CCN(c2nnc(Cc3cccnc3)n2CCOCCCO)C1 ZINC001611808297 1072857522 /nfs/dbraw/zinc/85/75/22/1072857522.db2.gz UHXJGNSAGMULCS-QFIPXVFZSA-N 1 1 430.553 0.964 20 0 ICADMO C[C@]1([NH+]2CCOCC2)CCN(c2nnc(-c3cccnc3)n2CCNS(C)(=O)=O)C1 ZINC001611808393 1072857978 /nfs/dbraw/zinc/85/79/78/1072857978.db2.gz VTGCJIZSNJHPJT-IBGZPJMESA-N 1 1 435.554 0.190 20 0 ICADMO C[C@@]1([NH+]2CCOCC2)CCN(c2nnc(-c3cccnc3)n2CCNS(C)(=O)=O)C1 ZINC001611808395 1072858120 /nfs/dbraw/zinc/85/81/20/1072858120.db2.gz VTGCJIZSNJHPJT-LJQANCHMSA-N 1 1 435.554 0.190 20 0 ICADMO Cc1c(CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)C[NH+]2CCOCC2)cnn1C ZINC001611865542 1072860126 /nfs/dbraw/zinc/86/01/26/1072860126.db2.gz FQNMNYFWUBQTNN-CRAIPNDOSA-N 1 1 430.557 0.876 20 0 ICADMO Cc1c(CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)C[NH+]2CCOCC2)cnn1C ZINC001611865543 1072860066 /nfs/dbraw/zinc/86/00/66/1072860066.db2.gz FQNMNYFWUBQTNN-MAUKXSAKSA-N 1 1 430.557 0.876 20 0 ICADMO Cc1c(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)C[NH+]2CCOCC2)cnn1C ZINC001611865544 1072860003 /nfs/dbraw/zinc/86/00/03/1072860003.db2.gz FQNMNYFWUBQTNN-QAPCUYQASA-N 1 1 430.557 0.876 20 0 ICADMO Cc1c(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)C[NH+]2CCOCC2)cnn1C ZINC001611865545 1072860238 /nfs/dbraw/zinc/86/02/38/1072860238.db2.gz FQNMNYFWUBQTNN-YJBOKZPZSA-N 1 1 430.557 0.876 20 0 ICADMO Cc1c(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@H]3CCCO3)CC2)cnn1C ZINC001611874175 1072860763 /nfs/dbraw/zinc/86/07/63/1072860763.db2.gz ZTVZRJBAQKDYNH-GOSISDBHSA-N 1 1 430.557 0.808 20 0 ICADMO Cc1c(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@@H]3CCCO3)CC2)cnn1C ZINC001611874176 1072860670 /nfs/dbraw/zinc/86/06/70/1072860670.db2.gz ZTVZRJBAQKDYNH-SFHVURJKSA-N 1 1 430.557 0.808 20 0 ICADMO Cc1c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCCC[C@H]3C2)cnn1C ZINC001611876714 1072861493 /nfs/dbraw/zinc/86/14/93/1072861493.db2.gz TVMVWRZRHCSAOT-PBHICJAKSA-N 1 1 436.586 0.653 20 0 ICADMO Cc1c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCCC[C@@H]3C2)cnn1C ZINC001611876715 1072861663 /nfs/dbraw/zinc/86/16/63/1072861663.db2.gz TVMVWRZRHCSAOT-RHSMWYFYSA-N 1 1 436.586 0.653 20 0 ICADMO Cc1c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCCC[C@@H]3C2)cnn1C ZINC001611876717 1072861590 /nfs/dbraw/zinc/86/15/90/1072861590.db2.gz TVMVWRZRHCSAOT-WMLDXEAASA-N 1 1 436.586 0.653 20 0 ICADMO Cc1c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCCC[C@H]3C2)cnn1C ZINC001611876718 1072861715 /nfs/dbraw/zinc/86/17/15/1072861715.db2.gz TVMVWRZRHCSAOT-YOEHRIQHSA-N 1 1 436.586 0.653 20 0 ICADMO Cc1nnsc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001611876847 1072861512 /nfs/dbraw/zinc/86/15/12/1072861512.db2.gz UWKXTOLECWIWFN-FPMFFAJLSA-N 1 1 440.599 0.769 20 0 ICADMO Cc1nnsc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001611876854 1072861536 /nfs/dbraw/zinc/86/15/36/1072861536.db2.gz UWKXTOLECWIWFN-KWCYVHTRSA-N 1 1 440.599 0.769 20 0 ICADMO Cc1nnsc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001611876855 1072861636 /nfs/dbraw/zinc/86/16/36/1072861636.db2.gz UWKXTOLECWIWFN-UBHSHLNASA-N 1 1 440.599 0.769 20 0 ICADMO Cc1nnsc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001611876856 1072861788 /nfs/dbraw/zinc/86/17/88/1072861788.db2.gz UWKXTOLECWIWFN-XBFCOCLRSA-N 1 1 440.599 0.769 20 0 ICADMO Cc1cc(C)cc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@]2(O)CC[N@H+](C)C2)c1 ZINC001611929041 1072863105 /nfs/dbraw/zinc/86/31/05/1072863105.db2.gz FNKDTVHNIUMESA-NRFANRHFSA-N 1 1 449.577 0.775 20 0 ICADMO Cc1cc(C)cc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001611929041 1072863101 /nfs/dbraw/zinc/86/31/01/1072863101.db2.gz FNKDTVHNIUMESA-NRFANRHFSA-N 1 1 449.577 0.775 20 0 ICADMO Cc1cc(C)cc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC001611929045 1072863215 /nfs/dbraw/zinc/86/32/15/1072863215.db2.gz FNKDTVHNIUMESA-OAQYLSRUSA-N 1 1 449.577 0.775 20 0 ICADMO Cc1cc(C)cc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001611929045 1072863208 /nfs/dbraw/zinc/86/32/08/1072863208.db2.gz FNKDTVHNIUMESA-OAQYLSRUSA-N 1 1 449.577 0.775 20 0 ICADMO Cc1cc(NC(=O)CN2CCN(c3nnc(C)n3C[C@H](C)[NH+]3CCOCC3)CC2)no1 ZINC001611968859 1072864635 /nfs/dbraw/zinc/86/46/35/1072864635.db2.gz PEPYBRVUIOTQAN-HNNXBMFYSA-N 1 1 432.529 0.364 20 0 ICADMO Cc1cc(NC(=O)CN2CCN(c3nnc(C)n3C[C@@H](C)[NH+]3CCOCC3)CC2)no1 ZINC001611968860 1072864737 /nfs/dbraw/zinc/86/47/37/1072864737.db2.gz PEPYBRVUIOTQAN-OAHLLOKOSA-N 1 1 432.529 0.364 20 0 ICADMO Cc1cc(NC(=O)CN2CCN(c3nnc(C)n3CC(C)(C)[NH+]3CCOCC3)CC2)no1 ZINC001611968957 1072864513 /nfs/dbraw/zinc/86/45/13/1072864513.db2.gz ROEXYOIVWOOVDJ-UHFFFAOYSA-N 1 1 446.556 0.754 20 0 ICADMO Cc1ccc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CCNS(C)(=O)=O)o1 ZINC001612022044 1072865792 /nfs/dbraw/zinc/86/57/92/1072865792.db2.gz XJJWVDXGRQTEGV-UHFFFAOYSA-N 1 1 440.570 0.943 20 0 ICADMO Cc1ccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CCNS(C)(=O)=O)o1 ZINC001612022044 1072865773 /nfs/dbraw/zinc/86/57/73/1072865773.db2.gz XJJWVDXGRQTEGV-UHFFFAOYSA-N 1 1 440.570 0.943 20 0 ICADMO Cc1ccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@@H+](C)C2)o1 ZINC001612059253 1072867633 /nfs/dbraw/zinc/86/76/33/1072867633.db2.gz RTLPDYAWULSAMC-KBXCAEBGSA-N 1 1 426.543 0.493 20 0 ICADMO Cc1ccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@@H+](C)C2)o1 ZINC001612059259 1072867669 /nfs/dbraw/zinc/86/76/69/1072867669.db2.gz RTLPDYAWULSAMC-KDOFPFPSSA-N 1 1 426.543 0.493 20 0 ICADMO Cc1ccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@@H+](C)C2)o1 ZINC001612059260 1072867850 /nfs/dbraw/zinc/86/78/50/1072867850.db2.gz RTLPDYAWULSAMC-KSSFIOAISA-N 1 1 426.543 0.493 20 0 ICADMO Cc1ccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@@H+](C)C2)o1 ZINC001612059262 1072867786 /nfs/dbraw/zinc/86/77/86/1072867786.db2.gz RTLPDYAWULSAMC-RDTXWAMCSA-N 1 1 426.543 0.493 20 0 ICADMO Cc1ccc(NC(=O)c2nnc(N3CCNC(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC001612108989 1072870372 /nfs/dbraw/zinc/87/03/72/1072870372.db2.gz ZDRPXYSKOOJASM-NRFANRHFSA-N 1 1 427.509 0.150 20 0 ICADMO Cc1ccc(NC(=O)c2nnc(N3CCNC(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC001612108990 1072870291 /nfs/dbraw/zinc/87/02/91/1072870291.db2.gz ZDRPXYSKOOJASM-OAQYLSRUSA-N 1 1 427.509 0.150 20 0 ICADMO Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC001612144280 1072870985 /nfs/dbraw/zinc/87/09/85/1072870985.db2.gz CVJHWRDTBZVKKS-GOSISDBHSA-N 1 1 428.537 0.949 20 0 ICADMO Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC001612144281 1072870790 /nfs/dbraw/zinc/87/07/90/1072870790.db2.gz CVJHWRDTBZVKKS-SFHVURJKSA-N 1 1 428.537 0.949 20 0 ICADMO Cc1cccc(-c2nnc(N(C)CCNS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)n1 ZINC001612191219 1072872117 /nfs/dbraw/zinc/87/21/17/1072872117.db2.gz KHGJWQKZWBQTBZ-INIZCTEOSA-N 1 1 437.570 0.355 20 0 ICADMO Cc1cccc(-c2nnc(N(C)CCNS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)n1 ZINC001612191223 1072872375 /nfs/dbraw/zinc/87/23/75/1072872375.db2.gz KHGJWQKZWBQTBZ-MRXNPFEDSA-N 1 1 437.570 0.355 20 0 ICADMO Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H](C)[NH+]2CCOCC2)n1 ZINC001612201528 1072872737 /nfs/dbraw/zinc/87/27/37/1072872737.db2.gz DTBXAGLGBYPMLT-KRWDZBQOSA-N 1 1 443.552 0.840 20 0 ICADMO Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H](C)[NH+]2CCOCC2)n1 ZINC001612201529 1072872794 /nfs/dbraw/zinc/87/27/94/1072872794.db2.gz DTBXAGLGBYPMLT-QGZVFWFLSA-N 1 1 443.552 0.840 20 0 ICADMO Cc1cccc(-c2nnc(N3CCCN(S(C)(=O)=O)CC3)n2C[C@]2(O)CC[N@H+](C)C2)n1 ZINC001612207267 1072873152 /nfs/dbraw/zinc/87/31/52/1072873152.db2.gz GRJFECHKNZIEOZ-FQEVSTJZSA-N 1 1 449.581 0.187 20 0 ICADMO Cc1cccc(-c2nnc(N3CCCN(S(C)(=O)=O)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)n1 ZINC001612207268 1072873455 /nfs/dbraw/zinc/87/34/55/1072873455.db2.gz GRJFECHKNZIEOZ-HXUWFJFHSA-N 1 1 449.581 0.187 20 0 ICADMO Cc1cccc(-c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)n1 ZINC001612207340 1072873374 /nfs/dbraw/zinc/87/33/74/1072873374.db2.gz UHJMBRDKYOWNHL-JXFKEZNVSA-N 1 1 434.566 0.729 20 0 ICADMO Cc1cccc(-c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)n1 ZINC001612207341 1072873187 /nfs/dbraw/zinc/87/31/87/1072873187.db2.gz UHJMBRDKYOWNHL-OXJNMPFZSA-N 1 1 434.566 0.729 20 0 ICADMO Cc1cccc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)n1 ZINC001612207342 1072873275 /nfs/dbraw/zinc/87/32/75/1072873275.db2.gz UHJMBRDKYOWNHL-OXQOHEQNSA-N 1 1 434.566 0.729 20 0 ICADMO Cc1cccc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)n1 ZINC001612207343 1072873514 /nfs/dbraw/zinc/87/35/14/1072873514.db2.gz UHJMBRDKYOWNHL-UZLBHIALSA-N 1 1 434.566 0.729 20 0 ICADMO Cc1cccc(-c2nnc(N3CC[NH+](C4CCOCC4)CC3)n2CCS(C)(=O)=O)n1 ZINC001612210587 1072873784 /nfs/dbraw/zinc/87/37/84/1072873784.db2.gz WZAUIVXWJPEJBL-UHFFFAOYSA-N 1 1 434.566 0.994 20 0 ICADMO Cc1cccc(-c2nnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)n2CCS(C)(=O)=O)n1 ZINC001612210821 1072873948 /nfs/dbraw/zinc/87/39/48/1072873948.db2.gz GPWXZSXGKBGTQT-KRWDZBQOSA-N 1 1 434.566 0.852 20 0 ICADMO Cc1cccc(-c2nnc(N3CC[NH+](C[C@H]4CCOC4)CC3)n2CCS(C)(=O)=O)n1 ZINC001612210822 1072873849 /nfs/dbraw/zinc/87/38/49/1072873849.db2.gz GPWXZSXGKBGTQT-QGZVFWFLSA-N 1 1 434.566 0.852 20 0 ICADMO Cc1cccc(-c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CCCNS(C)(=O)=O)n1 ZINC001612212527 1072874321 /nfs/dbraw/zinc/87/43/21/1072874321.db2.gz LIDUIMSJWKZPIK-INIZCTEOSA-N 1 1 435.554 0.109 20 0 ICADMO Cc1cccc(-c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CCCNS(C)(=O)=O)n1 ZINC001612212527 1072874310 /nfs/dbraw/zinc/87/43/10/1072874310.db2.gz LIDUIMSJWKZPIK-INIZCTEOSA-N 1 1 435.554 0.109 20 0 ICADMO Cc1cccc(-c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCCNS(C)(=O)=O)n1 ZINC001612212528 1072874484 /nfs/dbraw/zinc/87/44/84/1072874484.db2.gz LIDUIMSJWKZPIK-MRXNPFEDSA-N 1 1 435.554 0.109 20 0 ICADMO Cc1cccc(-c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCCNS(C)(=O)=O)n1 ZINC001612212528 1072874469 /nfs/dbraw/zinc/87/44/69/1072874469.db2.gz LIDUIMSJWKZPIK-MRXNPFEDSA-N 1 1 435.554 0.109 20 0 ICADMO Cc1ccccc1-c1nnc(N(C)CCNS(C)(=O)=O)n1CCC[NH+]1CCOCC1 ZINC001612263076 1072876269 /nfs/dbraw/zinc/87/62/69/1072876269.db2.gz ZJVGHQXIWSCWCN-UHFFFAOYSA-N 1 1 436.582 0.961 20 0 ICADMO Cc1cnn(CCn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC001612340578 1072880570 /nfs/dbraw/zinc/88/05/70/1072880570.db2.gz CAWRNJIAMZJIJH-GOSISDBHSA-N 1 1 430.557 0.922 20 0 ICADMO Cc1cnn(CCn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC001612340583 1072880713 /nfs/dbraw/zinc/88/07/13/1072880713.db2.gz CAWRNJIAMZJIJH-SFHVURJKSA-N 1 1 430.557 0.922 20 0 ICADMO Cc1nc(Cc2nnc(N3CCNC(=O)CC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cs1 ZINC001612411965 1072884507 /nfs/dbraw/zinc/88/45/07/1072884507.db2.gz GKWUSMJBVQWSCY-UHFFFAOYSA-N 1 1 446.625 0.986 20 0 ICADMO Cc1nc(Cc2nnc(N3CCNC(=O)CC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cs1 ZINC001612411965 1072884506 /nfs/dbraw/zinc/88/45/06/1072884506.db2.gz GKWUSMJBVQWSCY-UHFFFAOYSA-N 1 1 446.625 0.986 20 0 ICADMO Cc1nc(Cc2nnc(N3CCNC(=O)CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)cs1 ZINC001612411965 1072884501 /nfs/dbraw/zinc/88/45/01/1072884501.db2.gz GKWUSMJBVQWSCY-UHFFFAOYSA-N 1 1 446.625 0.986 20 0 ICADMO Cc1n[nH]c(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C(C)(C)C)CC2)n1 ZINC001612418182 1072885179 /nfs/dbraw/zinc/88/51/79/1072885179.db2.gz BLGLPNNGBGTEEN-CYBMUJFWSA-N 1 1 439.590 0.478 20 0 ICADMO Cc1n[nH]c(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C(C)(C)C)CC2)n1 ZINC001612418183 1072885727 /nfs/dbraw/zinc/88/57/27/1072885727.db2.gz BLGLPNNGBGTEEN-ZDUSSCGKSA-N 1 1 439.590 0.478 20 0 ICADMO Cc1nnc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC([NH2+]C(C)C)CC2)[nH]1 ZINC001612418430 1072885762 /nfs/dbraw/zinc/88/57/62/1072885762.db2.gz JAEOJYDTWDZTHL-CYBMUJFWSA-N 1 1 439.590 0.524 20 0 ICADMO Cc1n[nH]c(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC([NH2+]C(C)C)CC2)n1 ZINC001612418430 1072885751 /nfs/dbraw/zinc/88/57/51/1072885751.db2.gz JAEOJYDTWDZTHL-CYBMUJFWSA-N 1 1 439.590 0.524 20 0 ICADMO Cc1nnc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC([NH2+]C(C)C)CC2)[nH]1 ZINC001612418431 1072886135 /nfs/dbraw/zinc/88/61/35/1072886135.db2.gz JAEOJYDTWDZTHL-ZDUSSCGKSA-N 1 1 439.590 0.524 20 0 ICADMO Cc1n[nH]c(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC([NH2+]C(C)C)CC2)n1 ZINC001612418431 1072886124 /nfs/dbraw/zinc/88/61/24/1072886124.db2.gz JAEOJYDTWDZTHL-ZDUSSCGKSA-N 1 1 439.590 0.524 20 0 ICADMO Cc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CCCCn1cc[nH+]c1C ZINC001612442243 1072888250 /nfs/dbraw/zinc/88/82/50/1072888250.db2.gz XDOWLDFYBZEVCE-UHFFFAOYSA-N 1 1 430.557 0.553 20 0 ICADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001612442447 1072888942 /nfs/dbraw/zinc/88/89/42/1072888942.db2.gz DXOBXXWYLUVYGL-CVEARBPZSA-N 1 1 435.554 0.838 20 0 ICADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001612442448 1072889193 /nfs/dbraw/zinc/88/91/93/1072889193.db2.gz DXOBXXWYLUVYGL-HOTGVXAUSA-N 1 1 435.554 0.838 20 0 ICADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001612442449 1072888909 /nfs/dbraw/zinc/88/89/09/1072888909.db2.gz DXOBXXWYLUVYGL-HZPDHXFCSA-N 1 1 435.554 0.838 20 0 ICADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001612442450 1072888880 /nfs/dbraw/zinc/88/88/80/1072888880.db2.gz DXOBXXWYLUVYGL-JKSUJKDBSA-N 1 1 435.554 0.838 20 0 ICADMO Cc1[nH+]ccn1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001612443346 1072889064 /nfs/dbraw/zinc/88/90/64/1072889064.db2.gz BXRJTMUISYETAF-KBPBESRZSA-N 1 1 438.558 0.150 20 0 ICADMO Cc1[nH+]ccn1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001612443347 1072889274 /nfs/dbraw/zinc/88/92/74/1072889274.db2.gz BXRJTMUISYETAF-KGLIPLIRSA-N 1 1 438.558 0.150 20 0 ICADMO Cc1[nH+]ccn1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001612443348 1072888859 /nfs/dbraw/zinc/88/88/59/1072888859.db2.gz BXRJTMUISYETAF-UONOGXRCSA-N 1 1 438.558 0.150 20 0 ICADMO Cc1[nH+]ccn1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001612443349 1072889210 /nfs/dbraw/zinc/88/92/10/1072889210.db2.gz BXRJTMUISYETAF-ZIAGYGMSSA-N 1 1 438.558 0.150 20 0 ICADMO Cc1[nH+]ccn1CCCn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)N1CCOCC1 ZINC001612443903 1072888967 /nfs/dbraw/zinc/88/89/67/1072888967.db2.gz KFKDOSVQRQNWHB-UHFFFAOYSA-N 1 1 432.529 0.307 20 0 ICADMO Cc1[nH+]ccn1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(C)(=O)=O ZINC001612445815 1072889294 /nfs/dbraw/zinc/88/92/94/1072889294.db2.gz GUIAGGQBRSSEOF-HNNXBMFYSA-N 1 1 444.583 0.256 20 0 ICADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(C)(=O)=O ZINC001612445817 1072888830 /nfs/dbraw/zinc/88/88/30/1072888830.db2.gz GUIAGGQBRSSEOF-OAHLLOKOSA-N 1 1 444.583 0.256 20 0 ICADMO Cc1[nH+]ccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)NC(C)(C)C ZINC001612447969 1072888996 /nfs/dbraw/zinc/88/89/96/1072888996.db2.gz CJRRAQMMRYKXJG-CYBMUJFWSA-N 1 1 440.574 0.444 20 0 ICADMO Cc1[nH+]ccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)NC(C)(C)C ZINC001612447972 1072889241 /nfs/dbraw/zinc/88/92/41/1072889241.db2.gz CJRRAQMMRYKXJG-ZDUSSCGKSA-N 1 1 440.574 0.444 20 0 ICADMO Cc1nnc(N2CCN(S(=O)(=O)CCOC(C)C)CC2)n1CCn1cc[nH+]c1C ZINC001612448124 1072889169 /nfs/dbraw/zinc/88/91/69/1072889169.db2.gz DXDVEQMIWNILRA-UHFFFAOYSA-N 1 1 425.559 0.668 20 0 ICADMO Cc1[nH+]ccn1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1CCOCC1 ZINC001612448324 1072888808 /nfs/dbraw/zinc/88/88/08/1072888808.db2.gz IFBIXWGQOPOBSF-UHFFFAOYSA-N 1 1 439.524 0.899 20 0 ICADMO Cc1nccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001612448369 1072889376 /nfs/dbraw/zinc/88/93/76/1072889376.db2.gz JSZSSDYCKUFQKJ-DOTOQJQBSA-N 1 1 436.586 0.768 20 0 ICADMO Cc1nccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001612448370 1072889321 /nfs/dbraw/zinc/88/93/21/1072889321.db2.gz JSZSSDYCKUFQKJ-NVXWUHKLSA-N 1 1 436.586 0.768 20 0 ICADMO Cc1nccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001612448371 1072889085 /nfs/dbraw/zinc/88/90/85/1072889085.db2.gz JSZSSDYCKUFQKJ-RDJZCZTQSA-N 1 1 436.586 0.768 20 0 ICADMO Cc1nccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001612448372 1072889730 /nfs/dbraw/zinc/88/97/30/1072889730.db2.gz JSZSSDYCKUFQKJ-WBVHZDCISA-N 1 1 436.586 0.768 20 0 ICADMO Cc1[nH+]ccn1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)(=O)CC1 ZINC001612448529 1072890130 /nfs/dbraw/zinc/89/01/30/1072890130.db2.gz LEPLZQVAUGIQOR-UHFFFAOYSA-N 1 1 430.494 0.365 20 0 ICADMO Cc1[nH+]ccn1CCn1c(C(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001612448713 1072889819 /nfs/dbraw/zinc/88/98/19/1072889819.db2.gz OCXCOOVZXLSZPD-UHFFFAOYSA-N 1 1 430.557 0.587 20 0 ICADMO Cc1[nH+]ccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)F)CC1 ZINC001612449102 1072889656 /nfs/dbraw/zinc/88/96/56/1072889656.db2.gz VNMZDOUMSGUGOR-CYBMUJFWSA-N 1 1 446.528 0.481 20 0 ICADMO Cc1[nH+]ccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)F)CC1 ZINC001612449103 1072889937 /nfs/dbraw/zinc/88/99/37/1072889937.db2.gz VNMZDOUMSGUGOR-ZDUSSCGKSA-N 1 1 446.528 0.481 20 0 ICADMO Cc1[nH+]ccn1CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001612449732 1072889867 /nfs/dbraw/zinc/88/98/67/1072889867.db2.gz NDLJTQSAWILXAI-INIZCTEOSA-N 1 1 445.553 0.706 20 0 ICADMO Cc1[nH+]ccn1CCn1c(-c2cnccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001612449735 1072889785 /nfs/dbraw/zinc/88/97/85/1072889785.db2.gz NDLJTQSAWILXAI-MRXNPFEDSA-N 1 1 445.553 0.706 20 0 ICADMO Cc1[nH+]ccn1CCn1c(Cc2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001612449949 1072889628 /nfs/dbraw/zinc/88/96/28/1072889628.db2.gz FTMQWPGCJYIIHM-INIZCTEOSA-N 1 1 444.565 0.939 20 0 ICADMO Cc1[nH+]ccn1CCn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001612450078 1072890074 /nfs/dbraw/zinc/89/00/74/1072890074.db2.gz SQJYTCATVUYPGE-UHFFFAOYSA-N 1 1 447.569 0.744 20 0 ICADMO Cc1[nH+]ccn1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cnccn1 ZINC001612450214 1072889713 /nfs/dbraw/zinc/88/97/13/1072889713.db2.gz HQWGPPGAIGBVIP-INIZCTEOSA-N 1 1 430.538 0.854 20 0 ICADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cnccn1 ZINC001612450215 1072889900 /nfs/dbraw/zinc/88/99/00/1072889900.db2.gz HQWGPPGAIGBVIP-MRXNPFEDSA-N 1 1 430.538 0.854 20 0 ICADMO Cc1[nH+]ccn1CCn1c([C@H]2CCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001612450947 1072890089 /nfs/dbraw/zinc/89/00/89/1072890089.db2.gz OZMFKUDPJAJAAB-KRWDZBQOSA-N 1 1 437.570 0.753 20 0 ICADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001612450948 1072889690 /nfs/dbraw/zinc/88/96/90/1072889690.db2.gz OZMFKUDPJAJAAB-QGZVFWFLSA-N 1 1 437.570 0.753 20 0 ICADMO Cc1[nH+]ccn1CCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001612451469 1072890052 /nfs/dbraw/zinc/89/00/52/1072890052.db2.gz WZRXNOYKWGEGEY-UHFFFAOYSA-N 1 1 437.552 0.679 20 0 ICADMO Cc1[nH+]ccn1CCn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001612451484 1072890149 /nfs/dbraw/zinc/89/01/49/1072890149.db2.gz XFQXDMYPJSTRCZ-UHFFFAOYSA-N 1 1 428.541 0.924 20 0 ICADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001612451487 1072890009 /nfs/dbraw/zinc/89/00/09/1072890009.db2.gz XFWULKZVTBCKOE-KRWDZBQOSA-N 1 1 430.557 0.981 20 0 ICADMO Cc1[nH+]ccn1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001612451494 1072889967 /nfs/dbraw/zinc/88/99/67/1072889967.db2.gz XFWULKZVTBCKOE-QGZVFWFLSA-N 1 1 430.557 0.981 20 0 ICADMO Cc1[nH+]ccn1CCn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001612451866 1072890107 /nfs/dbraw/zinc/89/01/07/1072890107.db2.gz HAPPZPINRZBPTJ-UHFFFAOYSA-N 1 1 428.541 0.609 20 0 ICADMO Cc1nn(C)c(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001612463296 1072891786 /nfs/dbraw/zinc/89/17/86/1072891786.db2.gz VPFBCBBIURCVIO-GOSISDBHSA-N 1 1 444.584 0.973 20 0 ICADMO Cc1nn(C)c(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001612463297 1072891899 /nfs/dbraw/zinc/89/18/99/1072891899.db2.gz VPFBCBBIURCVIO-SFHVURJKSA-N 1 1 444.584 0.973 20 0 ICADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)N(C)C)CC1 ZINC001612465538 1072891745 /nfs/dbraw/zinc/89/17/45/1072891745.db2.gz YGOJHWUTGCALAV-UHFFFAOYSA-N 1 1 445.572 0.177 20 0 ICADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CC(=O)N(C)C)CC1 ZINC001612466668 1072892438 /nfs/dbraw/zinc/89/24/38/1072892438.db2.gz XRESYNPGIRUOBU-GOSISDBHSA-N 1 1 430.557 0.890 20 0 ICADMO Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C(C)C)CC2)n(C)n1 ZINC001612467035 1072892466 /nfs/dbraw/zinc/89/24/66/1072892466.db2.gz IOMKBDXMKQJSNX-INIZCTEOSA-N 1 1 438.602 0.899 20 0 ICADMO Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C(C)C)CC2)n(C)n1 ZINC001612467036 1072892351 /nfs/dbraw/zinc/89/23/51/1072892351.db2.gz IOMKBDXMKQJSNX-MRXNPFEDSA-N 1 1 438.602 0.899 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)N3CCOCC3)n2CC[N@@H+]2CCC[C@H]2C)n1 ZINC001612477327 1072893909 /nfs/dbraw/zinc/89/39/09/1072893909.db2.gz HZDFPWJJTPAHJY-GOSISDBHSA-N 1 1 444.584 0.919 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)N3CCOCC3)n2CC[N@@H+]2CCC[C@@H]2C)n1 ZINC001612477328 1072894133 /nfs/dbraw/zinc/89/41/33/1072894133.db2.gz HZDFPWJJTPAHJY-SFHVURJKSA-N 1 1 444.584 0.919 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC(N)=O)n2C[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001612478386 1072894068 /nfs/dbraw/zinc/89/40/68/1072894068.db2.gz URJKQTCGOAKMEJ-DOTOQJQBSA-N 1 1 432.573 0.808 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC(N)=O)n2C[C@H](C)C[NH+]2CCOCC2)n1 ZINC001612478388 1072894159 /nfs/dbraw/zinc/89/41/59/1072894159.db2.gz URJKQTCGOAKMEJ-NVXWUHKLSA-N 1 1 432.573 0.808 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC(N)=O)n2C[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001612478390 1072893966 /nfs/dbraw/zinc/89/39/66/1072893966.db2.gz URJKQTCGOAKMEJ-RDJZCZTQSA-N 1 1 432.573 0.808 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC(N)=O)n2C[C@H](C)C[NH+]2CCOCC2)n1 ZINC001612478391 1072894580 /nfs/dbraw/zinc/89/45/80/1072894580.db2.gz URJKQTCGOAKMEJ-WBVHZDCISA-N 1 1 432.573 0.808 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N(C)CCNS(C)(=O)=O)n2CCn2cc[nH+]c2C)n1 ZINC001612485108 1072894419 /nfs/dbraw/zinc/89/44/19/1072894419.db2.gz LQLPJLMRCLZDJF-UHFFFAOYSA-N 1 1 435.558 0.330 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@H](C)C[NH+]2CCOCC2)n1 ZINC001612486252 1072895003 /nfs/dbraw/zinc/89/50/03/1072895003.db2.gz DWXPRBSLRSLLLA-APWZRJJASA-N 1 1 444.584 0.775 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001612486253 1072895052 /nfs/dbraw/zinc/89/50/52/1072895052.db2.gz DWXPRBSLRSLLLA-LPHOPBHVSA-N 1 1 444.584 0.775 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001612486254 1072895186 /nfs/dbraw/zinc/89/51/86/1072895186.db2.gz DWXPRBSLRSLLLA-QFBILLFUSA-N 1 1 444.584 0.775 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@H](C)C[NH+]2CCOCC2)n1 ZINC001612486255 1072894938 /nfs/dbraw/zinc/89/49/38/1072894938.db2.gz DWXPRBSLRSLLLA-VQIMIIECSA-N 1 1 444.584 0.775 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC[N@H+]2CCOCC2(C)C)n1 ZINC001612491490 1072896178 /nfs/dbraw/zinc/89/61/78/1072896178.db2.gz OZHUWPSIWMFWGK-JOCHJYFZSA-N 1 1 444.584 0.952 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC[N@@H+]2CCOCC2(C)C)n1 ZINC001612491490 1072896168 /nfs/dbraw/zinc/89/61/68/1072896168.db2.gz OZHUWPSIWMFWGK-JOCHJYFZSA-N 1 1 444.584 0.952 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CC[C@](C)(C(N)=O)C3)n2CC[N@H+]2CCOCC2(C)C)n1 ZINC001612491491 1072896312 /nfs/dbraw/zinc/89/63/12/1072896312.db2.gz OZHUWPSIWMFWGK-QFIPXVFZSA-N 1 1 444.584 0.952 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CC[C@](C)(C(N)=O)C3)n2CC[N@@H+]2CCOCC2(C)C)n1 ZINC001612491491 1072896304 /nfs/dbraw/zinc/89/63/04/1072896304.db2.gz OZHUWPSIWMFWGK-QFIPXVFZSA-N 1 1 444.584 0.952 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H]2CCC[N@H+]2CCCO)n1 ZINC001612495611 1072896803 /nfs/dbraw/zinc/89/68/03/1072896803.db2.gz PVQQPMFAFXSCKK-MOPGFXCFSA-N 1 1 444.584 0.688 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2CCC[N@H+]2CCCO)n1 ZINC001612495612 1072896869 /nfs/dbraw/zinc/89/68/69/1072896869.db2.gz PVQQPMFAFXSCKK-OALUTQOASA-N 1 1 444.584 0.688 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2CCC[N@H+]2CCCO)n1 ZINC001612495613 1072896659 /nfs/dbraw/zinc/89/66/59/1072896659.db2.gz PVQQPMFAFXSCKK-RBUKOAKNSA-N 1 1 444.584 0.688 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H]2CCC[N@H+]2CCCO)n1 ZINC001612495614 1072896737 /nfs/dbraw/zinc/89/67/37/1072896737.db2.gz PVQQPMFAFXSCKK-RTBURBONSA-N 1 1 444.584 0.688 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@H](C)C[NH+]2CCOCC2)n1 ZINC001612501175 1072897720 /nfs/dbraw/zinc/89/77/20/1072897720.db2.gz DUCLRDFGYKOKIJ-APWZRJJASA-N 1 1 444.584 0.775 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001612501176 1072897603 /nfs/dbraw/zinc/89/76/03/1072897603.db2.gz DUCLRDFGYKOKIJ-LPHOPBHVSA-N 1 1 444.584 0.775 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001612501177 1072897778 /nfs/dbraw/zinc/89/77/78/1072897778.db2.gz DUCLRDFGYKOKIJ-QFBILLFUSA-N 1 1 444.584 0.775 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H](C)C[NH+]2CCOCC2)n1 ZINC001612501178 1072898391 /nfs/dbraw/zinc/89/83/91/1072898391.db2.gz DUCLRDFGYKOKIJ-VQIMIIECSA-N 1 1 444.584 0.775 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CCN(C)C(=O)C3)n2CC[N@H+]2CCOCC2(C)C)n1 ZINC001612501479 1072898288 /nfs/dbraw/zinc/89/82/88/1072898288.db2.gz PGFUXADWFBLGPA-UHFFFAOYSA-N 1 1 430.557 0.529 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CCN(C)C(=O)C3)n2CC[N@@H+]2CCOCC2(C)C)n1 ZINC001612501479 1072898275 /nfs/dbraw/zinc/89/82/75/1072898275.db2.gz PGFUXADWFBLGPA-UHFFFAOYSA-N 1 1 430.557 0.529 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CC(=O)NCC(F)F)n1 ZINC001612501920 1072898336 /nfs/dbraw/zinc/89/83/36/1072898336.db2.gz GFOGAJXZQYUDPX-HNNXBMFYSA-N 1 1 438.483 0.042 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CC(=O)NCC(F)F)n1 ZINC001612501920 1072898328 /nfs/dbraw/zinc/89/83/28/1072898328.db2.gz GFOGAJXZQYUDPX-HNNXBMFYSA-N 1 1 438.483 0.042 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CC(=O)NCC(F)F)n1 ZINC001612501921 1072898890 /nfs/dbraw/zinc/89/88/90/1072898890.db2.gz GFOGAJXZQYUDPX-OAHLLOKOSA-N 1 1 438.483 0.042 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CC(=O)NCC(F)F)n1 ZINC001612501921 1072898883 /nfs/dbraw/zinc/89/88/83/1072898883.db2.gz GFOGAJXZQYUDPX-OAHLLOKOSA-N 1 1 438.483 0.042 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CCNC(=O)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001612502004 1072898823 /nfs/dbraw/zinc/89/88/23/1072898823.db2.gz BQQRBGNZQCTELE-HDICACEKSA-N 1 1 430.557 0.575 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CCNC(=O)CC3)n2C[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001612503437 1072899332 /nfs/dbraw/zinc/89/93/32/1072899332.db2.gz WUUSKNFJJFQQJI-INIZCTEOSA-N 1 1 430.557 0.434 20 0 ICADMO Cc1cc(C)n(Cc2nnc(N3CCNC(=O)CC3)n2C[C@H](C)C[NH+]2CCOCC2)n1 ZINC001612503438 1072899279 /nfs/dbraw/zinc/89/92/79/1072899279.db2.gz WUUSKNFJJFQQJI-MRXNPFEDSA-N 1 1 430.557 0.434 20 0 ICADMO CCOC(=O)c1ncc(Br)c(N[C@@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)n1 ZINC001612506682 1072900207 /nfs/dbraw/zinc/90/02/07/1072900207.db2.gz IVNPYIWTZBQAGT-GFCCVEGCSA-N 1 1 444.330 0.429 20 0 ICADMO CCOC(=O)c1ncc(Br)c(N[C@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)n1 ZINC001612506683 1072900143 /nfs/dbraw/zinc/90/01/43/1072900143.db2.gz IVNPYIWTZBQAGT-LBPRGKRZSA-N 1 1 444.330 0.429 20 0 ICADMO Cc1nc2n(n1)CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[N@H+]1CCCO)C2 ZINC001612514268 1072900819 /nfs/dbraw/zinc/90/08/19/1072900819.db2.gz WKNOUAJEMXZOLG-INIZCTEOSA-N 1 1 431.545 0.183 20 0 ICADMO Cc1nc2n(n1)CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[N@H+]1CCCO)C2 ZINC001612514272 1072900931 /nfs/dbraw/zinc/90/09/31/1072900931.db2.gz WKNOUAJEMXZOLG-MRXNPFEDSA-N 1 1 431.545 0.183 20 0 ICADMO Cc1nnc(N(C)CC(=O)N2CCOCC2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001612533591 1072902570 /nfs/dbraw/zinc/90/25/70/1072902570.db2.gz HQUSZMHSBJRVLR-NRFANRHFSA-N 1 1 442.564 0.887 20 0 ICADMO Cc1nnc(N(C)CC(=O)N2CCOCC2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001612533592 1072902613 /nfs/dbraw/zinc/90/26/13/1072902613.db2.gz HQUSZMHSBJRVLR-OAQYLSRUSA-N 1 1 442.564 0.887 20 0 ICADMO Cc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CCS(=O)(=O)N(C)C ZINC001612545835 1072902951 /nfs/dbraw/zinc/90/29/51/1072902951.db2.gz IBTYCHHWPZBLHN-FUHWJXTLSA-N 1 1 438.602 0.731 20 0 ICADMO Cc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CC(=O)N1CCOCC1 ZINC001612546296 1072903141 /nfs/dbraw/zinc/90/31/41/1072903141.db2.gz XBIDXUAGPOWGBN-FXAWDEMLSA-N 1 1 430.557 0.698 20 0 ICADMO Cc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001612550678 1072902900 /nfs/dbraw/zinc/90/29/00/1072902900.db2.gz HRLCJNKIKVHCFC-BEFAXECRSA-N 1 1 434.566 0.634 20 0 ICADMO Cc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001612550679 1072903067 /nfs/dbraw/zinc/90/30/67/1072903067.db2.gz HRLCJNKIKVHCFC-DNVCBOLYSA-N 1 1 434.566 0.634 20 0 ICADMO Cc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001612550680 1072903109 /nfs/dbraw/zinc/90/31/09/1072903109.db2.gz HRLCJNKIKVHCFC-HNAYVOBHSA-N 1 1 434.566 0.634 20 0 ICADMO Cc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001612550681 1072903037 /nfs/dbraw/zinc/90/30/37/1072903037.db2.gz HRLCJNKIKVHCFC-KXBFYZLASA-N 1 1 434.566 0.634 20 0 ICADMO Cc1nnc(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001612556243 1072903163 /nfs/dbraw/zinc/90/31/63/1072903163.db2.gz CDWWEOLOUPOHNQ-UHFFFAOYSA-N 1 1 429.569 0.789 20 0 ICADMO Cc1nnc(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001612556610 1072903618 /nfs/dbraw/zinc/90/36/18/1072903618.db2.gz NLHHFRZLVWQMDJ-INIZCTEOSA-N 1 1 447.584 0.248 20 0 ICADMO Cc1nnc(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001612556610 1072903613 /nfs/dbraw/zinc/90/36/13/1072903613.db2.gz NLHHFRZLVWQMDJ-INIZCTEOSA-N 1 1 447.584 0.248 20 0 ICADMO Cc1nnc(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001612556611 1072903521 /nfs/dbraw/zinc/90/35/21/1072903521.db2.gz NLHHFRZLVWQMDJ-MRXNPFEDSA-N 1 1 447.584 0.248 20 0 ICADMO Cc1nnc(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001612556611 1072903517 /nfs/dbraw/zinc/90/35/17/1072903517.db2.gz NLHHFRZLVWQMDJ-MRXNPFEDSA-N 1 1 447.584 0.248 20 0 ICADMO Cc1[nH+]c2c(n1CCO)CC[C@@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C2 ZINC001612560956 1072903596 /nfs/dbraw/zinc/90/35/96/1072903596.db2.gz HADPOYIHVVMVLG-CYBMUJFWSA-N 1 1 427.548 0.960 20 0 ICADMO Cc1[nH+]c2c(n1CCO)CC[C@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C2 ZINC001612560957 1072903532 /nfs/dbraw/zinc/90/35/32/1072903532.db2.gz HADPOYIHVVMVLG-ZDUSSCGKSA-N 1 1 427.548 0.960 20 0 ICADMO Cc1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001612561173 1072903577 /nfs/dbraw/zinc/90/35/77/1072903577.db2.gz AWQHEMGVKAGENA-LRAJWGHMSA-N 1 1 433.557 0.900 20 0 ICADMO Cc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001612561175 1072903495 /nfs/dbraw/zinc/90/34/95/1072903495.db2.gz AWQHEMGVKAGENA-ZSDSOXJFSA-N 1 1 433.557 0.900 20 0 ICADMO Cc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001612569321 1072904115 /nfs/dbraw/zinc/90/41/15/1072904115.db2.gz FKHCSKJHLGIHOH-SFHVURJKSA-N 1 1 432.573 0.570 20 0 ICADMO Cc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CCCn1cc(CO)nn1 ZINC001612569696 1072904090 /nfs/dbraw/zinc/90/40/90/1072904090.db2.gz RPYQECUWYAIPOI-UHFFFAOYSA-N 1 1 431.589 0.755 20 0 ICADMO Cc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001612571239 1072904563 /nfs/dbraw/zinc/90/45/63/1072904563.db2.gz UXHIAHLUVXKKND-FQEVSTJZSA-N 1 1 448.593 0.719 20 0 ICADMO Cc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001612571240 1072904510 /nfs/dbraw/zinc/90/45/10/1072904510.db2.gz UXHIAHLUVXKKND-HXUWFJFHSA-N 1 1 448.593 0.719 20 0 ICADMO Cc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001612571561 1072904476 /nfs/dbraw/zinc/90/44/76/1072904476.db2.gz DPDVMPYETZIBDV-KRWDZBQOSA-N 1 1 441.602 0.047 20 0 ICADMO Cc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001612571562 1072904493 /nfs/dbraw/zinc/90/44/93/1072904493.db2.gz DPDVMPYETZIBDV-QGZVFWFLSA-N 1 1 441.602 0.047 20 0 ICADMO Cc1nnc(N2CCC(OCC(N)=O)CC2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001612572288 1072904516 /nfs/dbraw/zinc/90/45/16/1072904516.db2.gz AFQGGTACMKWMTE-UHFFFAOYSA-N 1 1 428.537 0.938 20 0 ICADMO Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001612572486 1072904502 /nfs/dbraw/zinc/90/45/02/1072904502.db2.gz HZQQXMYRPWEUHC-HNNXBMFYSA-N 1 1 429.525 0.849 20 0 ICADMO Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001612572486 1072904501 /nfs/dbraw/zinc/90/45/01/1072904501.db2.gz HZQQXMYRPWEUHC-HNNXBMFYSA-N 1 1 429.525 0.849 20 0 ICADMO Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001612572487 1072904544 /nfs/dbraw/zinc/90/45/44/1072904544.db2.gz HZQQXMYRPWEUHC-OAHLLOKOSA-N 1 1 429.525 0.849 20 0 ICADMO Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001612572487 1072904541 /nfs/dbraw/zinc/90/45/41/1072904541.db2.gz HZQQXMYRPWEUHC-OAHLLOKOSA-N 1 1 429.525 0.849 20 0 ICADMO Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001612572521 1072904554 /nfs/dbraw/zinc/90/45/54/1072904554.db2.gz JCSWUUFZUDVMLQ-KRWDZBQOSA-N 1 1 443.552 0.975 20 0 ICADMO Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001612572522 1072904526 /nfs/dbraw/zinc/90/45/26/1072904526.db2.gz JCSWUUFZUDVMLQ-QGZVFWFLSA-N 1 1 443.552 0.975 20 0 ICADMO Cc1nnc(N2CCC(S(C)(=O)=O)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001612574563 1072904977 /nfs/dbraw/zinc/90/49/77/1072904977.db2.gz ARBAIDAIJPAKEN-KRWDZBQOSA-N 1 1 426.587 0.543 20 0 ICADMO Cc1nnc(N2CCC(S(C)(=O)=O)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001612574564 1072904988 /nfs/dbraw/zinc/90/49/88/1072904988.db2.gz ARBAIDAIJPAKEN-QGZVFWFLSA-N 1 1 426.587 0.543 20 0 ICADMO Cc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001612590620 1072906469 /nfs/dbraw/zinc/90/64/69/1072906469.db2.gz CHPDOZGNVZKANT-GOSISDBHSA-N 1 1 436.586 0.456 20 0 ICADMO Cc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CCOCCS(C)(=O)=O ZINC001612590846 1072906450 /nfs/dbraw/zinc/90/64/50/1072906450.db2.gz GTBFZYYUPUEPOM-UHFFFAOYSA-N 1 1 425.559 0.094 20 0 ICADMO Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001612592374 1072906927 /nfs/dbraw/zinc/90/69/27/1072906927.db2.gz CIOZVIHGGOHZGJ-CALCHBBNSA-N 1 1 449.600 0.648 20 0 ICADMO Cc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001612592418 1072906879 /nfs/dbraw/zinc/90/68/79/1072906879.db2.gz FGAINECFQRQOEL-GOSISDBHSA-N 1 1 447.584 0.358 20 0 ICADMO Cc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001612592419 1072906953 /nfs/dbraw/zinc/90/69/53/1072906953.db2.gz FGAINECFQRQOEL-SFHVURJKSA-N 1 1 447.584 0.358 20 0 ICADMO Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001612592588 1072906904 /nfs/dbraw/zinc/90/69/04/1072906904.db2.gz NGIVQGVWLXAIAQ-UHFFFAOYSA-N 1 1 439.564 0.818 20 0 ICADMO Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001612592984 1072907465 /nfs/dbraw/zinc/90/74/65/1072907465.db2.gz YSBZTDTVGLJBBI-UHFFFAOYSA-N 1 1 427.553 0.892 20 0 ICADMO Cc1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001612595301 1072907817 /nfs/dbraw/zinc/90/78/17/1072907817.db2.gz LNOLOTHJJMOPCL-NRFANRHFSA-N 1 1 432.500 0.520 20 0 ICADMO Cc1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001612595302 1072907867 /nfs/dbraw/zinc/90/78/67/1072907867.db2.gz LNOLOTHJJMOPCL-OAQYLSRUSA-N 1 1 432.500 0.520 20 0 ICADMO Cc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001612596443 1072908902 /nfs/dbraw/zinc/90/89/02/1072908902.db2.gz XDURVLSIDVITQM-FXAWDEMLSA-N 1 1 433.601 0.613 20 0 ICADMO Cc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001612596444 1072908965 /nfs/dbraw/zinc/90/89/65/1072908965.db2.gz XDURVLSIDVITQM-PXNSSMCTSA-N 1 1 433.601 0.613 20 0 ICADMO Cc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001612596445 1072909025 /nfs/dbraw/zinc/90/90/25/1072909025.db2.gz XDURVLSIDVITQM-XLIONFOSSA-N 1 1 433.601 0.613 20 0 ICADMO Cc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001612596446 1072908974 /nfs/dbraw/zinc/90/89/74/1072908974.db2.gz XDURVLSIDVITQM-YLJYHZDGSA-N 1 1 433.601 0.613 20 0 ICADMO Cc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001612598479 1072909293 /nfs/dbraw/zinc/90/92/93/1072909293.db2.gz MSTUNCMUSKHKTG-CALCHBBNSA-N 1 1 442.568 0.906 20 0 ICADMO Cc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001612600160 1072909724 /nfs/dbraw/zinc/90/97/24/1072909724.db2.gz WEVNVXUIXSWGJU-UHFFFAOYSA-N 1 1 428.541 0.518 20 0 ICADMO Cc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001612600160 1072909720 /nfs/dbraw/zinc/90/97/20/1072909720.db2.gz WEVNVXUIXSWGJU-UHFFFAOYSA-N 1 1 428.541 0.518 20 0 ICADMO Cc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001612600169 1072909770 /nfs/dbraw/zinc/90/97/70/1072909770.db2.gz WPDWZSAYIILMGB-UHFFFAOYSA-N 1 1 428.541 0.518 20 0 ICADMO Cc1nnc(N2CCN(CC(=O)N(C)C)CC2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001612602321 1072910247 /nfs/dbraw/zinc/91/02/47/1072910247.db2.gz UDZVAFWCVISNMC-NRFANRHFSA-N 1 1 441.580 0.412 20 0 ICADMO Cc1nnc(N2CCN(CC(=O)N(C)C)CC2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001612602322 1072910186 /nfs/dbraw/zinc/91/01/86/1072910186.db2.gz UDZVAFWCVISNMC-OAQYLSRUSA-N 1 1 441.580 0.412 20 0 ICADMO Cc1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CC[C@H]1COCCO1 ZINC001612604193 1072910888 /nfs/dbraw/zinc/91/08/88/1072910888.db2.gz NNFPAFDGAIABFR-CTNGQTDRSA-N 1 1 431.537 0.954 20 0 ICADMO Cc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CC[C@H]1COCCO1 ZINC001612604194 1072910897 /nfs/dbraw/zinc/91/08/97/1072910897.db2.gz NNFPAFDGAIABFR-FPOVZHCZSA-N 1 1 431.537 0.954 20 0 ICADMO Cc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CC[C@@H]1COCCO1 ZINC001612604195 1072910789 /nfs/dbraw/zinc/91/07/89/1072910789.db2.gz NNFPAFDGAIABFR-PZJWPPBQSA-N 1 1 431.537 0.954 20 0 ICADMO Cc1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CC[C@@H]1COCCO1 ZINC001612604196 1072910726 /nfs/dbraw/zinc/91/07/26/1072910726.db2.gz NNFPAFDGAIABFR-TZIWHRDSSA-N 1 1 431.537 0.954 20 0 ICADMO Cc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CC(=O)NCC1CC1 ZINC001612604757 1072910908 /nfs/dbraw/zinc/91/09/08/1072910908.db2.gz YAFYVHNLPUMZDE-IBGZPJMESA-N 1 1 428.537 0.675 20 0 ICADMO Cc1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CC(=O)NCC1CC1 ZINC001612604758 1072910772 /nfs/dbraw/zinc/91/07/72/1072910772.db2.gz YAFYVHNLPUMZDE-LJQANCHMSA-N 1 1 428.537 0.675 20 0 ICADMO Cc1nnc(N2CCN(S(=O)(=O)CCOC(C)C)CC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001612606079 1072911258 /nfs/dbraw/zinc/91/12/58/1072911258.db2.gz OUOITZASNIMAOO-INIZCTEOSA-N 1 1 428.603 0.946 20 0 ICADMO Cc1nnc(N2CCN(S(=O)(=O)CCOC(C)C)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001612606080 1072911271 /nfs/dbraw/zinc/91/12/71/1072911271.db2.gz OUOITZASNIMAOO-MRXNPFEDSA-N 1 1 428.603 0.946 20 0 ICADMO Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001612606130 1072911211 /nfs/dbraw/zinc/91/12/11/1072911211.db2.gz PXMBDZUZMMFVBO-IBGZPJMESA-N 1 1 434.566 0.283 20 0 ICADMO Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001612606131 1072911244 /nfs/dbraw/zinc/91/12/44/1072911244.db2.gz PXMBDZUZMMFVBO-LJQANCHMSA-N 1 1 434.566 0.283 20 0 ICADMO Cc1nnc(N2CCN(S(=O)(=O)CCOC(C)C)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001612606326 1072911236 /nfs/dbraw/zinc/91/12/36/1072911236.db2.gz WXZZIACSSFVAKT-UHFFFAOYSA-N 1 1 426.587 0.725 20 0 ICADMO Cc1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1CCCn1cc(CO)nn1 ZINC001612606345 1072911227 /nfs/dbraw/zinc/91/12/27/1072911227.db2.gz XGAKZJPRCJYRMI-UHFFFAOYSA-N 1 1 426.525 0.962 20 0 ICADMO Cc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001612606739 1072911263 /nfs/dbraw/zinc/91/12/63/1072911263.db2.gz DCUZXCADMXIOJM-MAUKXSAKSA-N 1 1 444.627 0.265 20 0 ICADMO Cc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001612606743 1072911291 /nfs/dbraw/zinc/91/12/91/1072911291.db2.gz DCUZXCADMXIOJM-YJBOKZPZSA-N 1 1 444.627 0.265 20 0 ICADMO Cc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001612607313 1072911726 /nfs/dbraw/zinc/91/17/26/1072911726.db2.gz KLRALRFYYSYQQR-HRCADAONSA-N 1 1 428.603 0.944 20 0 ICADMO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001612607397 1072911670 /nfs/dbraw/zinc/91/16/70/1072911670.db2.gz MSEZIJPOFYWSIS-IBGZPJMESA-N 1 1 425.537 0.622 20 0 ICADMO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001612607398 1072911641 /nfs/dbraw/zinc/91/16/41/1072911641.db2.gz MSEZIJPOFYWSIS-LJQANCHMSA-N 1 1 425.537 0.622 20 0 ICADMO Cc1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001612607556 1072911650 /nfs/dbraw/zinc/91/16/50/1072911650.db2.gz ODPSNNYMJQSJGB-UHFFFAOYSA-N 1 1 445.572 0.318 20 0 ICADMO Cc1noc(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001612632727 1072913363 /nfs/dbraw/zinc/91/33/63/1072913363.db2.gz WKXITLUWSSADKI-DZGCQCFKSA-N 1 1 439.542 0.062 20 0 ICADMO Cc1noc(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001612632727 1072913359 /nfs/dbraw/zinc/91/33/59/1072913359.db2.gz WKXITLUWSSADKI-DZGCQCFKSA-N 1 1 439.542 0.062 20 0 ICADMO Cc1noc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001612632728 1072913418 /nfs/dbraw/zinc/91/34/18/1072913418.db2.gz WKXITLUWSSADKI-HIFRSBDPSA-N 1 1 439.542 0.062 20 0 ICADMO Cc1noc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001612632728 1072913413 /nfs/dbraw/zinc/91/34/13/1072913413.db2.gz WKXITLUWSSADKI-HIFRSBDPSA-N 1 1 439.542 0.062 20 0 ICADMO Cc1noc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001612632729 1072913317 /nfs/dbraw/zinc/91/33/17/1072913317.db2.gz WKXITLUWSSADKI-UKRRQHHQSA-N 1 1 439.542 0.062 20 0 ICADMO Cc1noc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001612632729 1072913314 /nfs/dbraw/zinc/91/33/14/1072913314.db2.gz WKXITLUWSSADKI-UKRRQHHQSA-N 1 1 439.542 0.062 20 0 ICADMO Cc1noc(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001612632730 1072913339 /nfs/dbraw/zinc/91/33/39/1072913339.db2.gz WKXITLUWSSADKI-ZFWWWQNUSA-N 1 1 439.542 0.062 20 0 ICADMO Cc1noc(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001612632730 1072913332 /nfs/dbraw/zinc/91/33/32/1072913332.db2.gz WKXITLUWSSADKI-ZFWWWQNUSA-N 1 1 439.542 0.062 20 0 ICADMO Cc1noc(C2CCN(c3nnc(C(=O)NC(C)C)n3C[C@]3(O)CC[N@@H+](C)C3)CC2)n1 ZINC001612638068 1072913816 /nfs/dbraw/zinc/91/38/16/1072913816.db2.gz UNDNIUSZMVRIJT-FQEVSTJZSA-N 1 1 432.529 0.558 20 0 ICADMO Cc1noc(C2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@]3(O)CC[N@@H+](C)C3)CC2)n1 ZINC001612638072 1072913870 /nfs/dbraw/zinc/91/38/70/1072913870.db2.gz UNDNIUSZMVRIJT-HXUWFJFHSA-N 1 1 432.529 0.558 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(C(=O)N2CCCC2)n1CCCC[NH+]1CCOCC1 ZINC001612651101 1072915136 /nfs/dbraw/zinc/91/51/36/1072915136.db2.gz MNZWLGGLPFUSEJ-KRWDZBQOSA-N 1 1 433.557 0.293 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(C(=O)N2CCCC2)n1CCCC[NH+]1CCOCC1 ZINC001612651103 1072915587 /nfs/dbraw/zinc/91/55/87/1072915587.db2.gz MNZWLGGLPFUSEJ-QGZVFWFLSA-N 1 1 433.557 0.293 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCOC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001612655189 1072916866 /nfs/dbraw/zinc/91/68/66/1072916866.db2.gz ZVCOSYGQSMRHBJ-HKUYNNGSSA-N 1 1 433.601 0.723 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCOC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001612655190 1072916855 /nfs/dbraw/zinc/91/68/55/1072916855.db2.gz ZVCOSYGQSMRHBJ-IEBWSBKVSA-N 1 1 433.601 0.723 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCOC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001612655191 1072916960 /nfs/dbraw/zinc/91/69/60/1072916960.db2.gz ZVCOSYGQSMRHBJ-MJGOQNOKSA-N 1 1 433.601 0.723 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCOC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001612655192 1072916988 /nfs/dbraw/zinc/91/69/88/1072916988.db2.gz ZVCOSYGQSMRHBJ-PKOBYXMFSA-N 1 1 433.601 0.723 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2cccnc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001612655855 1072917291 /nfs/dbraw/zinc/91/72/91/1072917291.db2.gz ONMNAYIOQZRREA-GOSISDBHSA-N 1 1 440.596 0.957 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2cccnc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001612655855 1072917289 /nfs/dbraw/zinc/91/72/89/1072917289.db2.gz ONMNAYIOQZRREA-GOSISDBHSA-N 1 1 440.596 0.957 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2cccnc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001612655855 1072917286 /nfs/dbraw/zinc/91/72/86/1072917286.db2.gz ONMNAYIOQZRREA-GOSISDBHSA-N 1 1 440.596 0.957 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2cccnc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001612655856 1072917369 /nfs/dbraw/zinc/91/73/69/1072917369.db2.gz ONMNAYIOQZRREA-SFHVURJKSA-N 1 1 440.596 0.957 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2cccnc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001612655856 1072917367 /nfs/dbraw/zinc/91/73/67/1072917367.db2.gz ONMNAYIOQZRREA-SFHVURJKSA-N 1 1 440.596 0.957 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2cccnc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001612655856 1072917361 /nfs/dbraw/zinc/91/73/61/1072917361.db2.gz ONMNAYIOQZRREA-SFHVURJKSA-N 1 1 440.596 0.957 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001612656247 1072917390 /nfs/dbraw/zinc/91/73/90/1072917390.db2.gz WEQJQSRAGHETDZ-HKUYNNGSSA-N 1 1 427.553 0.778 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccncc2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001612656248 1072917338 /nfs/dbraw/zinc/91/73/38/1072917338.db2.gz WEQJQSRAGHETDZ-IEBWSBKVSA-N 1 1 427.553 0.778 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001612656249 1072917417 /nfs/dbraw/zinc/91/74/17/1072917417.db2.gz WEQJQSRAGHETDZ-MJGOQNOKSA-N 1 1 427.553 0.778 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2ccncc2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001612656250 1072917399 /nfs/dbraw/zinc/91/73/99/1072917399.db2.gz WEQJQSRAGHETDZ-PKOBYXMFSA-N 1 1 427.553 0.778 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(CN2CCCC2=O)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001612657299 1072917840 /nfs/dbraw/zinc/91/78/40/1072917840.db2.gz DVJORSBNORCQFK-MSOLQXFVSA-N 1 1 447.584 0.304 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(CN2CCCC2=O)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001612657300 1072917863 /nfs/dbraw/zinc/91/78/63/1072917863.db2.gz DVJORSBNORCQFK-QZTJIDSGSA-N 1 1 447.584 0.304 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(CN2CCCC2=O)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001612657301 1072917720 /nfs/dbraw/zinc/91/77/20/1072917720.db2.gz DVJORSBNORCQFK-ROUUACIJSA-N 1 1 447.584 0.304 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(CN2CCCC2=O)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001612657302 1072917772 /nfs/dbraw/zinc/91/77/72/1072917772.db2.gz DVJORSBNORCQFK-ZWKOTPCHSA-N 1 1 447.584 0.304 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001612657399 1072917852 /nfs/dbraw/zinc/91/78/52/1072917852.db2.gz GQPCRJXOUNTPFV-BTYIYWSLSA-N 1 1 432.500 0.730 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001612657400 1072917739 /nfs/dbraw/zinc/91/77/39/1072917739.db2.gz GQPCRJXOUNTPFV-QVKFZJNVSA-N 1 1 432.500 0.730 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001612657401 1072917872 /nfs/dbraw/zinc/91/78/72/1072917872.db2.gz GQPCRJXOUNTPFV-VFNWGFHPSA-N 1 1 432.500 0.730 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001612657402 1072917900 /nfs/dbraw/zinc/91/79/00/1072917900.db2.gz GQPCRJXOUNTPFV-YCRPNKLZSA-N 1 1 432.500 0.730 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001612658553 1072917756 /nfs/dbraw/zinc/91/77/56/1072917756.db2.gz SDXHPTPVQJZJMP-JLTOFOAXSA-N 1 1 447.565 0.003 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001612658554 1072917803 /nfs/dbraw/zinc/91/78/03/1072917803.db2.gz SDXHPTPVQJZJMP-VBKZILBWSA-N 1 1 447.565 0.003 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001612658555 1072917882 /nfs/dbraw/zinc/91/78/82/1072917882.db2.gz SDXHPTPVQJZJMP-VLIAUNLRSA-N 1 1 447.565 0.003 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001612658556 1072917819 /nfs/dbraw/zinc/91/78/19/1072917819.db2.gz SDXHPTPVQJZJMP-XOBRGWDASA-N 1 1 447.565 0.003 20 0 ICADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)N(C)C)CC1 ZINC001612720814 1072919938 /nfs/dbraw/zinc/91/99/38/1072919938.db2.gz LJUFTGRCGSAELY-CEXWTWQISA-N 1 1 433.601 0.865 20 0 ICADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)N(C)C)CC1 ZINC001612720816 1072920430 /nfs/dbraw/zinc/92/04/30/1072920430.db2.gz LJUFTGRCGSAELY-OTWHNJEPSA-N 1 1 433.601 0.865 20 0 ICADMO CC(C)NC(=O)c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001612778288 1072921671 /nfs/dbraw/zinc/92/16/71/1072921671.db2.gz GMEDDHUMGOZPRK-CVEARBPZSA-N 1 1 443.618 0.522 20 0 ICADMO CC(C)NC(=O)c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001612778289 1072921592 /nfs/dbraw/zinc/92/15/92/1072921592.db2.gz GMEDDHUMGOZPRK-HOTGVXAUSA-N 1 1 443.618 0.522 20 0 ICADMO CC(C)NC(=O)c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001612778290 1072921608 /nfs/dbraw/zinc/92/16/08/1072921608.db2.gz GMEDDHUMGOZPRK-HZPDHXFCSA-N 1 1 443.618 0.522 20 0 ICADMO CC(C)NC(=O)c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001612778291 1072921662 /nfs/dbraw/zinc/92/16/62/1072921662.db2.gz GMEDDHUMGOZPRK-JKSUJKDBSA-N 1 1 443.618 0.522 20 0 ICADMO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001612778580 1072921641 /nfs/dbraw/zinc/92/16/41/1072921641.db2.gz KACHNFHHHYESQW-BZUAXINKSA-N 1 1 446.643 0.577 20 0 ICADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001612778581 1072921516 /nfs/dbraw/zinc/92/15/16/1072921516.db2.gz KACHNFHHHYESQW-OAGGEKHMSA-N 1 1 446.643 0.577 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001612778582 1072921579 /nfs/dbraw/zinc/92/15/79/1072921579.db2.gz KACHNFHHHYESQW-OWCLPIDISA-N 1 1 446.643 0.577 20 0 ICADMO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001612778583 1072922002 /nfs/dbraw/zinc/92/20/02/1072922002.db2.gz KACHNFHHHYESQW-PMPSAXMXSA-N 1 1 446.643 0.577 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001612779306 1072922044 /nfs/dbraw/zinc/92/20/44/1072922044.db2.gz UNGOHWZTGQRCCP-CVEARBPZSA-N 1 1 426.587 0.772 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001612779306 1072922042 /nfs/dbraw/zinc/92/20/42/1072922042.db2.gz UNGOHWZTGQRCCP-CVEARBPZSA-N 1 1 426.587 0.772 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001612779307 1072922126 /nfs/dbraw/zinc/92/21/26/1072922126.db2.gz UNGOHWZTGQRCCP-HOTGVXAUSA-N 1 1 426.587 0.772 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001612779307 1072922123 /nfs/dbraw/zinc/92/21/23/1072922123.db2.gz UNGOHWZTGQRCCP-HOTGVXAUSA-N 1 1 426.587 0.772 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001612779308 1072921969 /nfs/dbraw/zinc/92/19/69/1072921969.db2.gz UNGOHWZTGQRCCP-HZPDHXFCSA-N 1 1 426.587 0.772 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001612779308 1072921965 /nfs/dbraw/zinc/92/19/65/1072921965.db2.gz UNGOHWZTGQRCCP-HZPDHXFCSA-N 1 1 426.587 0.772 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001612779309 1072922084 /nfs/dbraw/zinc/92/20/84/1072922084.db2.gz UNGOHWZTGQRCCP-JKSUJKDBSA-N 1 1 426.587 0.772 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001612779309 1072922079 /nfs/dbraw/zinc/92/20/79/1072922079.db2.gz UNGOHWZTGQRCCP-JKSUJKDBSA-N 1 1 426.587 0.772 20 0 ICADMO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001612782169 1072921989 /nfs/dbraw/zinc/92/19/89/1072921989.db2.gz XOVQKXGOBJWCRX-BRWVUGGUSA-N 1 1 438.598 0.579 20 0 ICADMO C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001612782170 1072922022 /nfs/dbraw/zinc/92/20/22/1072922022.db2.gz XOVQKXGOBJWCRX-IKGGRYGDSA-N 1 1 438.598 0.579 20 0 ICADMO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001612782171 1072922054 /nfs/dbraw/zinc/92/20/54/1072922054.db2.gz XOVQKXGOBJWCRX-IXDOHACOSA-N 1 1 438.598 0.579 20 0 ICADMO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001612782172 1072922106 /nfs/dbraw/zinc/92/21/06/1072922106.db2.gz XOVQKXGOBJWCRX-ZACQAIPSSA-N 1 1 438.598 0.579 20 0 ICADMO C[C@H]1CCC[N@@H+](CCn2c(C(=O)N3CCCC3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001612802580 1072922993 /nfs/dbraw/zinc/92/29/93/1072922993.db2.gz BISXLBHENKSZAT-INIZCTEOSA-N 1 1 441.602 0.231 20 0 ICADMO C[C@@H]1CCC[N@@H+](CCn2c(C(=O)N3CCCC3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001612802581 1072922896 /nfs/dbraw/zinc/92/28/96/1072922896.db2.gz BISXLBHENKSZAT-MRXNPFEDSA-N 1 1 441.602 0.231 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001612803696 1072922917 /nfs/dbraw/zinc/92/29/17/1072922917.db2.gz MGHSRMRTTPUFHV-GOSISDBHSA-N 1 1 448.616 0.358 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001612803697 1072922946 /nfs/dbraw/zinc/92/29/46/1072922946.db2.gz MGHSRMRTTPUFHV-SFHVURJKSA-N 1 1 448.616 0.358 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001612804474 1072922971 /nfs/dbraw/zinc/92/29/71/1072922971.db2.gz AHAVIYISKZSWCW-BZUAXINKSA-N 1 1 441.602 0.287 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001612804475 1072922907 /nfs/dbraw/zinc/92/29/07/1072922907.db2.gz AHAVIYISKZSWCW-OAGGEKHMSA-N 1 1 441.602 0.287 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001612804476 1072922933 /nfs/dbraw/zinc/92/29/33/1072922933.db2.gz AHAVIYISKZSWCW-OWCLPIDISA-N 1 1 441.602 0.287 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001612804477 1072923003 /nfs/dbraw/zinc/92/30/03/1072923003.db2.gz AHAVIYISKZSWCW-PMPSAXMXSA-N 1 1 441.602 0.287 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cnn(C)c2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001612804490 1072922978 /nfs/dbraw/zinc/92/29/78/1072922978.db2.gz ALECLABWXJWRGA-CVEARBPZSA-N 1 1 438.602 0.990 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cnn(C)c2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001612804491 1072923427 /nfs/dbraw/zinc/92/34/27/1072923427.db2.gz ALECLABWXJWRGA-HOTGVXAUSA-N 1 1 438.602 0.990 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cnn(C)c2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001612804492 1072923383 /nfs/dbraw/zinc/92/33/83/1072923383.db2.gz ALECLABWXJWRGA-HZPDHXFCSA-N 1 1 438.602 0.990 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cnn(C)c2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001612804493 1072923449 /nfs/dbraw/zinc/92/34/49/1072923449.db2.gz ALECLABWXJWRGA-JKSUJKDBSA-N 1 1 438.602 0.990 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001612804502 1072923392 /nfs/dbraw/zinc/92/33/92/1072923392.db2.gz AQMVIJSKZSEVRA-CABCVRRESA-N 1 1 441.602 0.322 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001612804503 1072923562 /nfs/dbraw/zinc/92/35/62/1072923562.db2.gz AQMVIJSKZSEVRA-GJZGRUSLSA-N 1 1 441.602 0.322 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001612804504 1072923524 /nfs/dbraw/zinc/92/35/24/1072923524.db2.gz AQMVIJSKZSEVRA-HUUCEWRRSA-N 1 1 441.602 0.322 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001612804505 1072923417 /nfs/dbraw/zinc/92/34/17/1072923417.db2.gz AQMVIJSKZSEVRA-LSDHHAIUSA-N 1 1 441.602 0.322 20 0 ICADMO CC(C)NC(=O)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001612804948 1072923371 /nfs/dbraw/zinc/92/33/71/1072923371.db2.gz IFOWWRRKLJEOAN-CVEARBPZSA-N 1 1 443.618 0.581 20 0 ICADMO CC(C)NC(=O)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001612804949 1072923480 /nfs/dbraw/zinc/92/34/80/1072923480.db2.gz IFOWWRRKLJEOAN-HOTGVXAUSA-N 1 1 443.618 0.581 20 0 ICADMO CC(C)NC(=O)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001612804950 1072923513 /nfs/dbraw/zinc/92/35/13/1072923513.db2.gz IFOWWRRKLJEOAN-HZPDHXFCSA-N 1 1 443.618 0.581 20 0 ICADMO CC(C)NC(=O)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001612804951 1072923361 /nfs/dbraw/zinc/92/33/61/1072923361.db2.gz IFOWWRRKLJEOAN-JKSUJKDBSA-N 1 1 443.618 0.581 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001612805716 1072923325 /nfs/dbraw/zinc/92/33/25/1072923325.db2.gz WNJMECNZPAYOAG-FPCVCCKLSA-N 1 1 428.559 0.182 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001612805717 1072923488 /nfs/dbraw/zinc/92/34/88/1072923488.db2.gz WNJMECNZPAYOAG-QXSJWSMHSA-N 1 1 428.559 0.182 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001612805718 1072923439 /nfs/dbraw/zinc/92/34/39/1072923439.db2.gz WNJMECNZPAYOAG-XUWVNRHRSA-N 1 1 428.559 0.182 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001612805719 1072923536 /nfs/dbraw/zinc/92/35/36/1072923536.db2.gz WNJMECNZPAYOAG-YHUYYLMFSA-N 1 1 428.559 0.182 20 0 ICADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cnccn3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 ZINC001612806222 1072923404 /nfs/dbraw/zinc/92/34/04/1072923404.db2.gz GNDLSEORJYIRBU-GOSISDBHSA-N 1 1 441.584 0.677 20 0 ICADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cnccn3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 ZINC001612806223 1072923547 /nfs/dbraw/zinc/92/35/47/1072923547.db2.gz GNDLSEORJYIRBU-SFHVURJKSA-N 1 1 441.584 0.677 20 0 ICADMO C[C@H]1CCC[N@@H+](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001612806332 1072923338 /nfs/dbraw/zinc/92/33/38/1072923338.db2.gz IKMPZKLWHXKUCQ-ULQDDVLXSA-N 1 1 438.598 0.614 20 0 ICADMO C[C@H]1CCC[N@@H+](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001612806333 1072923496 /nfs/dbraw/zinc/92/34/96/1072923496.db2.gz IKMPZKLWHXKUCQ-YESZJQIVSA-N 1 1 438.598 0.614 20 0 ICADMO C[C@H]1CCC[N@@H+](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001612807244 1072923464 /nfs/dbraw/zinc/92/34/64/1072923464.db2.gz QVPLRPMKUFCOOU-DOTOQJQBSA-N 1 1 438.598 0.614 20 0 ICADMO C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001612807245 1072923958 /nfs/dbraw/zinc/92/39/58/1072923958.db2.gz QVPLRPMKUFCOOU-NVXWUHKLSA-N 1 1 438.598 0.614 20 0 ICADMO C[C@H]1CCC[N@@H+](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001612807246 1072924016 /nfs/dbraw/zinc/92/40/16/1072924016.db2.gz QVPLRPMKUFCOOU-RDJZCZTQSA-N 1 1 438.598 0.614 20 0 ICADMO C[C@@H]1CCC[N@@H+](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001612807247 1072923917 /nfs/dbraw/zinc/92/39/17/1072923917.db2.gz QVPLRPMKUFCOOU-WBVHZDCISA-N 1 1 438.598 0.614 20 0 ICADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cnccn3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001612807978 1072923884 /nfs/dbraw/zinc/92/38/84/1072923884.db2.gz YCCANOICZYXXJI-INIZCTEOSA-N 1 1 448.597 0.985 20 0 ICADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cnccn3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001612807979 1072924027 /nfs/dbraw/zinc/92/40/27/1072924027.db2.gz YCCANOICZYXXJI-MRXNPFEDSA-N 1 1 448.597 0.985 20 0 ICADMO C[C@@H]1CCC[N@@H+](CCn2c(CN3CCCC3=O)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001612811118 1072923899 /nfs/dbraw/zinc/92/38/99/1072923899.db2.gz ZUFMERWBILGVBB-GOSISDBHSA-N 1 1 447.584 0.427 20 0 ICADMO C[C@H]1CCC[N@@H+](CCn2c(CN3CCCC3=O)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001612811119 1072924003 /nfs/dbraw/zinc/92/40/03/1072924003.db2.gz ZUFMERWBILGVBB-SFHVURJKSA-N 1 1 447.584 0.427 20 0 ICADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001612817162 1072924462 /nfs/dbraw/zinc/92/44/62/1072924462.db2.gz HNKMEPGTAAHPBV-HNNXBMFYSA-N 1 1 436.586 0.681 20 0 ICADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001612817165 1072924525 /nfs/dbraw/zinc/92/45/25/1072924525.db2.gz HNKMEPGTAAHPBV-OAHLLOKOSA-N 1 1 436.586 0.681 20 0 ICADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001612817916 1072924522 /nfs/dbraw/zinc/92/45/22/1072924522.db2.gz MSSDEQGJJQDXJV-CVEARBPZSA-N 1 1 434.570 0.690 20 0 ICADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001612817918 1072924436 /nfs/dbraw/zinc/92/44/36/1072924436.db2.gz MSSDEQGJJQDXJV-HOTGVXAUSA-N 1 1 434.570 0.690 20 0 ICADMO C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001612850369 1072925447 /nfs/dbraw/zinc/92/54/47/1072925447.db2.gz ICTIFINNLAWSBP-BRWVUGGUSA-N 1 1 426.587 0.942 20 0 ICADMO C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001612850370 1072925454 /nfs/dbraw/zinc/92/54/54/1072925454.db2.gz ICTIFINNLAWSBP-IKGGRYGDSA-N 1 1 426.587 0.942 20 0 ICADMO C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001612850371 1072925361 /nfs/dbraw/zinc/92/53/61/1072925361.db2.gz ICTIFINNLAWSBP-IXDOHACOSA-N 1 1 426.587 0.942 20 0 ICADMO C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001612850372 1072925328 /nfs/dbraw/zinc/92/53/28/1072925328.db2.gz ICTIFINNLAWSBP-ZACQAIPSSA-N 1 1 426.587 0.942 20 0 ICADMO CC1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 ZINC001612871883 1072926669 /nfs/dbraw/zinc/92/66/69/1072926669.db2.gz CZJFGVLGQVDQPT-KRWDZBQOSA-N 1 1 438.598 0.975 20 0 ICADMO CC1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 ZINC001612871884 1072926700 /nfs/dbraw/zinc/92/67/00/1072926700.db2.gz CZJFGVLGQVDQPT-QGZVFWFLSA-N 1 1 438.598 0.975 20 0 ICADMO CC1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001612872167 1072926661 /nfs/dbraw/zinc/92/66/61/1072926661.db2.gz CFHHDLLZGFOPBO-UHFFFAOYSA-N 1 1 426.587 0.613 20 0 ICADMO C[C@@H](CC(N)=O)N(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001612876287 1072926687 /nfs/dbraw/zinc/92/66/87/1072926687.db2.gz OWVYWCUKZQBIDP-YESZJQIVSA-N 1 1 449.600 0.988 20 0 ICADMO C[C@H](CC(N)=O)N(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001612876288 1072926752 /nfs/dbraw/zinc/92/67/52/1072926752.db2.gz OWVYWCUKZQBIDP-ZACQAIPSSA-N 1 1 449.600 0.988 20 0 ICADMO C[C@H]1CN(C)C(=O)CN1c1nnc(C(=O)Nc2ccccn2)n1CC[NH+]1CCSCC1 ZINC001612878459 1072927700 /nfs/dbraw/zinc/92/77/00/1072927700.db2.gz USEDGMVDSAWOJW-HNNXBMFYSA-N 1 1 444.565 0.641 20 0 ICADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(C(=O)Nc2ccccn2)n1CC[NH+]1CCSCC1 ZINC001612878460 1072927757 /nfs/dbraw/zinc/92/77/57/1072927757.db2.gz USEDGMVDSAWOJW-OAHLLOKOSA-N 1 1 444.565 0.641 20 0 ICADMO C[C@H]1CN(C)C(=O)CN1c1nnc(CCOc2ccccc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001612880430 1072928152 /nfs/dbraw/zinc/92/81/52/1072928152.db2.gz DYIJVYLNKREUKN-HTAPYJJXSA-N 1 1 428.537 0.633 20 0 ICADMO C[C@H]1CN(C)C(=O)CN1c1nnc(CCOc2ccccc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001612880435 1072928122 /nfs/dbraw/zinc/92/81/22/1072928122.db2.gz DYIJVYLNKREUKN-JTSKRJEESA-N 1 1 428.537 0.633 20 0 ICADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(CCOc2ccccc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001612880437 1072928685 /nfs/dbraw/zinc/92/86/85/1072928685.db2.gz DYIJVYLNKREUKN-VGOFRKELSA-N 1 1 428.537 0.633 20 0 ICADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(CCOc2ccccc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001612880439 1072928621 /nfs/dbraw/zinc/92/86/21/1072928621.db2.gz DYIJVYLNKREUKN-VGSWGCGISA-N 1 1 428.537 0.633 20 0 ICADMO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCC(=O)N2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001612880703 1072928588 /nfs/dbraw/zinc/92/85/88/1072928588.db2.gz HROFBDMQRBTWLX-BRWVUGGUSA-N 1 1 433.557 0.133 20 0 ICADMO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCC(=O)N2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001612880704 1072928543 /nfs/dbraw/zinc/92/85/43/1072928543.db2.gz HROFBDMQRBTWLX-IKGGRYGDSA-N 1 1 433.557 0.133 20 0 ICADMO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCC(=O)N2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001612880705 1072928642 /nfs/dbraw/zinc/92/86/42/1072928642.db2.gz HROFBDMQRBTWLX-IXDOHACOSA-N 1 1 433.557 0.133 20 0 ICADMO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCC(=O)N2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001612880706 1072928673 /nfs/dbraw/zinc/92/86/73/1072928673.db2.gz HROFBDMQRBTWLX-ZACQAIPSSA-N 1 1 433.557 0.133 20 0 ICADMO C[C@H]1CN(C)C(=O)CN1c1nnc(CN2CCCC2=O)n1CC(C)(C)[NH+]1CCOCC1 ZINC001612881053 1072928554 /nfs/dbraw/zinc/92/85/54/1072928554.db2.gz KXTSUZCPRXZOTO-INIZCTEOSA-N 1 1 433.557 0.178 20 0 ICADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(CN2CCCC2=O)n1CC(C)(C)[NH+]1CCOCC1 ZINC001612881054 1072928577 /nfs/dbraw/zinc/92/85/77/1072928577.db2.gz KXTSUZCPRXZOTO-MRXNPFEDSA-N 1 1 433.557 0.178 20 0 ICADMO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cnccn2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001612882441 1072929493 /nfs/dbraw/zinc/92/94/93/1072929493.db2.gz VQARZYFIIAAOBC-DLBZAZTESA-N 1 1 428.541 0.639 20 0 ICADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cnccn2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001612882442 1072929518 /nfs/dbraw/zinc/92/95/18/1072929518.db2.gz VQARZYFIIAAOBC-IAGOWNOFSA-N 1 1 428.541 0.639 20 0 ICADMO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cnccn2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001612882443 1072929475 /nfs/dbraw/zinc/92/94/75/1072929475.db2.gz VQARZYFIIAAOBC-IRXDYDNUSA-N 1 1 428.541 0.639 20 0 ICADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cnccn2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001612882444 1072929445 /nfs/dbraw/zinc/92/94/45/1072929445.db2.gz VQARZYFIIAAOBC-SJORKVTESA-N 1 1 428.541 0.639 20 0 ICADMO C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[N@@H+](C)C2)CC(C)(C)O1 ZINC001612886683 1072931126 /nfs/dbraw/zinc/93/11/26/1072931126.db2.gz PAKSFVDKZOMWJO-BTYIYWSLSA-N 1 1 429.525 0.996 20 0 ICADMO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC(C)(C)O1 ZINC001612886684 1072931134 /nfs/dbraw/zinc/93/11/34/1072931134.db2.gz PAKSFVDKZOMWJO-QVKFZJNVSA-N 1 1 429.525 0.996 20 0 ICADMO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[N@@H+](C)C2)CC(C)(C)O1 ZINC001612886685 1072931215 /nfs/dbraw/zinc/93/12/15/1072931215.db2.gz PAKSFVDKZOMWJO-VFNWGFHPSA-N 1 1 429.525 0.996 20 0 ICADMO C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC(C)(C)O1 ZINC001612886686 1072931235 /nfs/dbraw/zinc/93/12/35/1072931235.db2.gz PAKSFVDKZOMWJO-YCRPNKLZSA-N 1 1 429.525 0.996 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCNS(C)(=O)=O ZINC001612887139 1072931176 /nfs/dbraw/zinc/93/11/76/1072931176.db2.gz UIAXSDPNOOHKAO-HNNXBMFYSA-N 1 1 441.602 0.276 20 0 ICADMO CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCNS(C)(=O)=O ZINC001612887140 1072931144 /nfs/dbraw/zinc/93/11/44/1072931144.db2.gz UIAXSDPNOOHKAO-OAHLLOKOSA-N 1 1 441.602 0.276 20 0 ICADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCC(=O)N2CCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC001612891855 1072931952 /nfs/dbraw/zinc/93/19/52/1072931952.db2.gz PPMHERSXECGHQB-MSOLQXFVSA-N 1 1 434.585 0.981 20 0 ICADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCC(=O)N2CCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC001612891858 1072931969 /nfs/dbraw/zinc/93/19/69/1072931969.db2.gz PPMHERSXECGHQB-QZTJIDSGSA-N 1 1 434.585 0.981 20 0 ICADMO C[C@H]1CN(c2nnc(C(C)(C)C)n2CCC(=O)N2CCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC001612891859 1072932033 /nfs/dbraw/zinc/93/20/33/1072932033.db2.gz PPMHERSXECGHQB-ROUUACIJSA-N 1 1 434.585 0.981 20 0 ICADMO C[C@H]1CN(c2nnc(C(C)(C)C)n2CCC(=O)N2CCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC001612891861 1072932026 /nfs/dbraw/zinc/93/20/26/1072932026.db2.gz PPMHERSXECGHQB-ZWKOTPCHSA-N 1 1 434.585 0.981 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001612895529 1072932953 /nfs/dbraw/zinc/93/29/53/1072932953.db2.gz PLLCLXHBIVSTRB-CABCVRRESA-N 1 1 430.575 0.224 20 0 ICADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001612895530 1072932966 /nfs/dbraw/zinc/93/29/66/1072932966.db2.gz PLLCLXHBIVSTRB-GJZGRUSLSA-N 1 1 430.575 0.224 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001612895531 1072933112 /nfs/dbraw/zinc/93/31/12/1072933112.db2.gz PLLCLXHBIVSTRB-HUUCEWRRSA-N 1 1 430.575 0.224 20 0 ICADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001612895532 1072933043 /nfs/dbraw/zinc/93/30/43/1072933043.db2.gz PLLCLXHBIVSTRB-LSDHHAIUSA-N 1 1 430.575 0.224 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001612895840 1072933075 /nfs/dbraw/zinc/93/30/75/1072933075.db2.gz AGVYJENXQSCVRJ-GJYPPUQNSA-N 1 1 444.602 0.613 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001612895841 1072933002 /nfs/dbraw/zinc/93/30/02/1072933002.db2.gz AGVYJENXQSCVRJ-GPMSIDNRSA-N 1 1 444.602 0.613 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001612895842 1072932930 /nfs/dbraw/zinc/93/29/30/1072932930.db2.gz AGVYJENXQSCVRJ-JTDSTZFVSA-N 1 1 444.602 0.613 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001612895843 1072933017 /nfs/dbraw/zinc/93/30/17/1072933017.db2.gz AGVYJENXQSCVRJ-MDZRGWNJSA-N 1 1 444.602 0.613 20 0 ICADMO C[C@H]1CN(c2nnc(-c3cccnc3)n2CCNS(C)(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC001612926799 1072935789 /nfs/dbraw/zinc/93/57/89/1072935789.db2.gz FBBLCFCXVYZSHO-DOTOQJQBSA-N 1 1 435.554 0.046 20 0 ICADMO C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCNS(C)(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC001612926804 1072935704 /nfs/dbraw/zinc/93/57/04/1072935704.db2.gz FBBLCFCXVYZSHO-NVXWUHKLSA-N 1 1 435.554 0.046 20 0 ICADMO C[C@H]1CN(c2nnc(-c3cccnc3)n2CCNS(C)(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001612926806 1072935838 /nfs/dbraw/zinc/93/58/38/1072935838.db2.gz FBBLCFCXVYZSHO-RDJZCZTQSA-N 1 1 435.554 0.046 20 0 ICADMO C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCNS(C)(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001612926808 1072935774 /nfs/dbraw/zinc/93/57/74/1072935774.db2.gz FBBLCFCXVYZSHO-WBVHZDCISA-N 1 1 435.554 0.046 20 0 ICADMO C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCCNS(C)(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC001612928969 1072935816 /nfs/dbraw/zinc/93/58/16/1072935816.db2.gz RMNABAPYGVQUQS-DOTOQJQBSA-N 1 1 437.570 0.369 20 0 ICADMO C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCCNS(C)(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC001612928970 1072936228 /nfs/dbraw/zinc/93/62/28/1072936228.db2.gz RMNABAPYGVQUQS-NVXWUHKLSA-N 1 1 437.570 0.369 20 0 ICADMO C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCCNS(C)(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001612928971 1072936180 /nfs/dbraw/zinc/93/61/80/1072936180.db2.gz RMNABAPYGVQUQS-RDJZCZTQSA-N 1 1 437.570 0.369 20 0 ICADMO C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCCNS(C)(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001612928972 1072936122 /nfs/dbraw/zinc/93/61/22/1072936122.db2.gz RMNABAPYGVQUQS-WBVHZDCISA-N 1 1 437.570 0.369 20 0 ICADMO C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001612938776 1072937898 /nfs/dbraw/zinc/93/78/98/1072937898.db2.gz RJEAGZOXNXCSTI-ILXRZTDVSA-N 1 1 428.484 0.668 20 0 ICADMO C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCOCC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001612938777 1072937992 /nfs/dbraw/zinc/93/79/92/1072937992.db2.gz RJEAGZOXNXCSTI-KFWWJZLASA-N 1 1 428.484 0.668 20 0 ICADMO C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001612938778 1072937921 /nfs/dbraw/zinc/93/79/21/1072937921.db2.gz RJEAGZOXNXCSTI-QLFBSQMISA-N 1 1 428.484 0.668 20 0 ICADMO C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCOCC(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001612938779 1072938046 /nfs/dbraw/zinc/93/80/46/1072938046.db2.gz RJEAGZOXNXCSTI-RBSFLKMASA-N 1 1 428.484 0.668 20 0 ICADMO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H](C)S1 ZINC001612947605 1072939327 /nfs/dbraw/zinc/93/93/27/1072939327.db2.gz HNMYFTDLMCJUBD-ADAWSYLGSA-N 1 1 429.612 0.577 20 0 ICADMO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@@H](C)S1 ZINC001612947605 1072939323 /nfs/dbraw/zinc/93/93/23/1072939323.db2.gz HNMYFTDLMCJUBD-ADAWSYLGSA-N 1 1 429.612 0.577 20 0 ICADMO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H](C)S1 ZINC001612947613 1072939373 /nfs/dbraw/zinc/93/93/73/1072939373.db2.gz HNMYFTDLMCJUBD-ATNYBXOESA-N 1 1 429.612 0.577 20 0 ICADMO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@@H](C)S1 ZINC001612947613 1072939370 /nfs/dbraw/zinc/93/93/70/1072939370.db2.gz HNMYFTDLMCJUBD-ATNYBXOESA-N 1 1 429.612 0.577 20 0 ICADMO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H](C)S1 ZINC001612947615 1072939270 /nfs/dbraw/zinc/93/92/70/1072939270.db2.gz HNMYFTDLMCJUBD-BASYENTBSA-N 1 1 429.612 0.577 20 0 ICADMO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H](C)S1 ZINC001612947615 1072939268 /nfs/dbraw/zinc/93/92/68/1072939268.db2.gz HNMYFTDLMCJUBD-BASYENTBSA-N 1 1 429.612 0.577 20 0 ICADMO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H](C)S1 ZINC001612947616 1072939301 /nfs/dbraw/zinc/93/93/01/1072939301.db2.gz HNMYFTDLMCJUBD-FSZRXZPDSA-N 1 1 429.612 0.577 20 0 ICADMO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H](C)S1 ZINC001612947616 1072939295 /nfs/dbraw/zinc/93/92/95/1072939295.db2.gz HNMYFTDLMCJUBD-FSZRXZPDSA-N 1 1 429.612 0.577 20 0 ICADMO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@H+]2CCCO)C[C@@H](C)O1 ZINC001612948810 1072940336 /nfs/dbraw/zinc/94/03/36/1072940336.db2.gz PLDKFRWHYDSLOE-BRSBDYLESA-N 1 1 441.598 0.641 20 0 ICADMO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@H+]2CCCO)C[C@@H](C)O1 ZINC001612948811 1072940410 /nfs/dbraw/zinc/94/04/10/1072940410.db2.gz PLDKFRWHYDSLOE-TVFCKZIOSA-N 1 1 441.598 0.641 20 0 ICADMO C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)C)CC[N@H+](C2CCC2)C1 ZINC001612949350 1072940366 /nfs/dbraw/zinc/94/03/66/1072940366.db2.gz XGCUACIXINSYSD-CVEARBPZSA-N 1 1 438.598 0.579 20 0 ICADMO C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)C)CC[N@H+](C2CCC2)C1 ZINC001612949351 1072940302 /nfs/dbraw/zinc/94/03/02/1072940302.db2.gz XGCUACIXINSYSD-HOTGVXAUSA-N 1 1 438.598 0.579 20 0 ICADMO C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)C)CC[N@H+](C2CCC2)C1 ZINC001612949352 1072940349 /nfs/dbraw/zinc/94/03/49/1072940349.db2.gz XGCUACIXINSYSD-HZPDHXFCSA-N 1 1 438.598 0.579 20 0 ICADMO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)C)CC[N@H+](C2CCC2)C1 ZINC001612949353 1072940396 /nfs/dbraw/zinc/94/03/96/1072940396.db2.gz XGCUACIXINSYSD-JKSUJKDBSA-N 1 1 438.598 0.579 20 0 ICADMO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[NH+]2CCC(O)CC2)C[C@@H](C)O1 ZINC001612951226 1072942124 /nfs/dbraw/zinc/94/21/24/1072942124.db2.gz NQADAWSRDCOYDW-BRWVUGGUSA-N 1 1 441.598 0.641 20 0 ICADMO C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[NH+]2CCC(O)CC2)C[C@@H](C)O1 ZINC001612951227 1072942084 /nfs/dbraw/zinc/94/20/84/1072942084.db2.gz NQADAWSRDCOYDW-ZACQAIPSSA-N 1 1 441.598 0.641 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001612951673 1072942939 /nfs/dbraw/zinc/94/29/39/1072942939.db2.gz UOJHDLVXWPUBQL-FUHIMQAGSA-N 1 1 441.598 0.905 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001612951674 1072942980 /nfs/dbraw/zinc/94/29/80/1072942980.db2.gz UOJHDLVXWPUBQL-HLIPFELVSA-N 1 1 441.598 0.905 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001612951675 1072942878 /nfs/dbraw/zinc/94/28/78/1072942878.db2.gz UOJHDLVXWPUBQL-MBOZVWFJSA-N 1 1 441.598 0.905 20 0 ICADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001612951676 1072942897 /nfs/dbraw/zinc/94/28/97/1072942897.db2.gz UOJHDLVXWPUBQL-UWVAXJGDSA-N 1 1 441.598 0.905 20 0 ICADMO C[C@H]1CN(c2nnc(CC(C)(C)C)n2CCCNS(C)(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC001612956234 1072943401 /nfs/dbraw/zinc/94/34/01/1072943401.db2.gz CBZWFLJRNIIVIA-DLBZAZTESA-N 1 1 442.630 0.963 20 0 ICADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCCNS(C)(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC001612956235 1072943455 /nfs/dbraw/zinc/94/34/55/1072943455.db2.gz CBZWFLJRNIIVIA-IAGOWNOFSA-N 1 1 442.630 0.963 20 0 ICADMO C[C@H]1CN(c2nnc(CC(C)(C)C)n2CCCNS(C)(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001612956236 1072943484 /nfs/dbraw/zinc/94/34/84/1072943484.db2.gz CBZWFLJRNIIVIA-IRXDYDNUSA-N 1 1 442.630 0.963 20 0 ICADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCCNS(C)(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001612956237 1072943432 /nfs/dbraw/zinc/94/34/32/1072943432.db2.gz CBZWFLJRNIIVIA-SJORKVTESA-N 1 1 442.630 0.963 20 0 ICADMO C[C@H]1CN(c2nnc(Cc3ccccn3)n2CC(=O)NCC(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001612961050 1072943797 /nfs/dbraw/zinc/94/37/97/1072943797.db2.gz FRICRMDEXVLMBK-DOTOQJQBSA-N 1 1 449.506 0.802 20 0 ICADMO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC(=O)NCC(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001612961052 1072943925 /nfs/dbraw/zinc/94/39/25/1072943925.db2.gz FRICRMDEXVLMBK-NVXWUHKLSA-N 1 1 449.506 0.802 20 0 ICADMO C[C@H]1CN(c2nnc(Cc3ccccn3)n2CC(=O)NCC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001612961053 1072943841 /nfs/dbraw/zinc/94/38/41/1072943841.db2.gz FRICRMDEXVLMBK-RDJZCZTQSA-N 1 1 449.506 0.802 20 0 ICADMO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC(=O)NCC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001612961055 1072943905 /nfs/dbraw/zinc/94/39/05/1072943905.db2.gz FRICRMDEXVLMBK-WBVHZDCISA-N 1 1 449.506 0.802 20 0 ICADMO C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCC(=O)N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001612974651 1072945075 /nfs/dbraw/zinc/94/50/75/1072945075.db2.gz AFMIFUGWIZOEHW-DLBZAZTESA-N 1 1 433.557 0.036 20 0 ICADMO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCC(=O)N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001612974652 1072945029 /nfs/dbraw/zinc/94/50/29/1072945029.db2.gz AFMIFUGWIZOEHW-IAGOWNOFSA-N 1 1 433.557 0.036 20 0 ICADMO C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCC(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001612974653 1072945129 /nfs/dbraw/zinc/94/51/29/1072945129.db2.gz AFMIFUGWIZOEHW-IRXDYDNUSA-N 1 1 433.557 0.036 20 0 ICADMO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCC(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001612974654 1072945122 /nfs/dbraw/zinc/94/51/22/1072945122.db2.gz AFMIFUGWIZOEHW-SJORKVTESA-N 1 1 433.557 0.036 20 0 ICADMO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC(=O)N1C ZINC001612976770 1072945563 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1072947000 /nfs/dbraw/zinc/94/70/00/1072947000.db2.gz WQNUUSGSCDQOTN-NXOAAHMSSA-N 1 1 444.602 0.613 20 0 ICADMO C[C@@H]1C[N@H+](CCCn2c(-c3cnccn3)nnc2N2CC[C@](C)(C(N)=O)C2)C[C@H](C)O1 ZINC001612990463 1072946921 /nfs/dbraw/zinc/94/69/21/1072946921.db2.gz DCOOGUMRAQHKLS-MRUHUIDDSA-N 1 1 428.541 0.936 20 0 ICADMO C[C@@H]1C[N@H+](CCCn2c(-c3cnccn3)nnc2N2CC[C@@](C)(C(N)=O)C2)C[C@H](C)O1 ZINC001612990500 1072946896 /nfs/dbraw/zinc/94/68/96/1072946896.db2.gz DCOOGUMRAQHKLS-VWKPWSFCSA-N 1 1 428.541 0.936 20 0 ICADMO C[C@@H]1C[N@H+](CCCn2c(-c3cnccn3)nnc2N2CC(=O)N(C)C[C@@H]2C)C[C@H](C)O1 ZINC001612990937 1072946858 /nfs/dbraw/zinc/94/68/58/1072946858.db2.gz IKHBFMMTBZWMBE-YESZJQIVSA-N 1 1 428.541 0.901 20 0 ICADMO C[C@@H]1C[N@H+](CCCn2c(-c3cnccn3)nnc2N2CC(=O)N(C)C[C@H]2C)C[C@H](C)O1 ZINC001612990938 1072947015 /nfs/dbraw/zinc/94/70/15/1072947015.db2.gz IKHBFMMTBZWMBE-ZACQAIPSSA-N 1 1 428.541 0.901 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cnccn2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001612991192 1072946876 /nfs/dbraw/zinc/94/68/76/1072946876.db2.gz LNCPHRUHHUEZJL-DLBZAZTESA-N 1 1 428.541 0.903 20 0 ICADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cnccn2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001612991193 1072946975 /nfs/dbraw/zinc/94/69/75/1072946975.db2.gz LNCPHRUHHUEZJL-IAGOWNOFSA-N 1 1 428.541 0.903 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cnccn2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001612991194 1072946955 /nfs/dbraw/zinc/94/69/55/1072946955.db2.gz LNCPHRUHHUEZJL-IRXDYDNUSA-N 1 1 428.541 0.903 20 0 ICADMO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cnccn2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001612991195 1072946885 /nfs/dbraw/zinc/94/68/85/1072946885.db2.gz LNCPHRUHHUEZJL-SJORKVTESA-N 1 1 428.541 0.903 20 0 ICADMO C[C@@H]1C[N@H+](CCCn2c(-c3cnn(C)c3)nnc2N2CCC(C(N)=O)CC2)C[C@H](C)O1 ZINC001612991369 1072947050 /nfs/dbraw/zinc/94/70/50/1072947050.db2.gz MQWHDIDTOVOFRN-IYBDPMFKSA-N 1 1 430.557 0.880 20 0 ICADMO C[C@@H]1C[N@H+](CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C(N)=O)CC2)C[C@H](C)O1 ZINC001612991449 1072947517 /nfs/dbraw/zinc/94/75/17/1072947517.db2.gz NPEPMHUSKUKIQB-HLLBOEOZSA-N 1 1 433.557 0.430 20 0 ICADMO C[C@@H]1C[N@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C(N)=O)CC2)C[C@H](C)O1 ZINC001612991451 1072947575 /nfs/dbraw/zinc/94/75/75/1072947575.db2.gz NPEPMHUSKUKIQB-UXLLHSPISA-N 1 1 433.557 0.430 20 0 ICADMO CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001612992661 1072947533 /nfs/dbraw/zinc/94/75/33/1072947533.db2.gz WUCHMXNUCHUTNQ-FGTMMUONSA-N 1 1 449.600 0.937 20 0 ICADMO CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001612992664 1072947565 /nfs/dbraw/zinc/94/75/65/1072947565.db2.gz WUCHMXNUCHUTNQ-KSZLIROESA-N 1 1 449.600 0.937 20 0 ICADMO C[C@@H]1C[N@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CC(N)=O)C2)C[C@H](C)O1 ZINC001612992680 1072947556 /nfs/dbraw/zinc/94/75/56/1072947556.db2.gz WYIMGYDOTAIESF-MHORFTMASA-N 1 1 447.584 0.820 20 0 ICADMO C[C@@H]1C[N@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](CC(N)=O)C2)C[C@H](C)O1 ZINC001612992684 1072947600 /nfs/dbraw/zinc/94/76/00/1072947600.db2.gz WYIMGYDOTAIESF-XDNAFOTISA-N 1 1 447.584 0.820 20 0 ICADMO C[C@@H]1C[N@H+](CCCn2c(CN3CCCC3=O)nnc2N2CC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC001612994586 1072947466 /nfs/dbraw/zinc/94/74/66/1072947466.db2.gz BACIFZJNTNSDFC-BBWFWOEESA-N 1 1 433.557 0.211 20 0 ICADMO C[C@@H]1C[N@H+](CCCn2c(CN3CCCC3=O)nnc2N2CC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC001612994588 1072947489 /nfs/dbraw/zinc/94/74/89/1072947489.db2.gz BACIFZJNTNSDFC-IXDOHACOSA-N 1 1 433.557 0.211 20 0 ICADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(C(=O)Nc2ccccn2)n1CCNS(C)(=O)=O ZINC001612995299 1072948088 /nfs/dbraw/zinc/94/80/88/1072948088.db2.gz NZLRPEKXRLOICS-CABCVRRESA-N 1 1 448.553 0.148 20 0 ICADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(C(=O)Nc2ccccn2)n1CCNS(C)(=O)=O ZINC001612995300 1072948091 /nfs/dbraw/zinc/94/80/91/1072948091.db2.gz NZLRPEKXRLOICS-GJZGRUSLSA-N 1 1 448.553 0.148 20 0 ICADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(C(=O)Nc2ccccn2)n1CCNS(C)(=O)=O ZINC001612995301 1072948030 /nfs/dbraw/zinc/94/80/30/1072948030.db2.gz NZLRPEKXRLOICS-HUUCEWRRSA-N 1 1 448.553 0.148 20 0 ICADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(C(=O)Nc2ccccn2)n1CCNS(C)(=O)=O ZINC001612995302 1072948061 /nfs/dbraw/zinc/94/80/61/1072948061.db2.gz NZLRPEKXRLOICS-LSDHHAIUSA-N 1 1 448.553 0.148 20 0 ICADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(Cc2cccnc2)n1CCOCCS(C)(=O)=O ZINC001612996675 1072948098 /nfs/dbraw/zinc/94/80/98/1072948098.db2.gz CWVDDQCCJBFRDZ-HKUYNNGSSA-N 1 1 448.593 0.998 20 0 ICADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(Cc2cccnc2)n1CCOCCS(C)(=O)=O ZINC001612996679 1072948039 /nfs/dbraw/zinc/94/80/39/1072948039.db2.gz CWVDDQCCJBFRDZ-IEBWSBKVSA-N 1 1 448.593 0.998 20 0 ICADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(Cc2cccnc2)n1CCOCCS(C)(=O)=O ZINC001612996680 1072948067 /nfs/dbraw/zinc/94/80/67/1072948067.db2.gz CWVDDQCCJBFRDZ-MJGOQNOKSA-N 1 1 448.593 0.998 20 0 ICADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(Cc2cccnc2)n1CCOCCS(C)(=O)=O ZINC001612996681 1072948104 /nfs/dbraw/zinc/94/81/04/1072948104.db2.gz CWVDDQCCJBFRDZ-PKOBYXMFSA-N 1 1 448.593 0.998 20 0 ICADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc([C@H]2CCCOC2)n1CCOCCS(C)(=O)=O ZINC001612997034 1072948072 /nfs/dbraw/zinc/94/80/72/1072948072.db2.gz GYGQYTILFWKSFH-FGTMMUONSA-N 1 1 441.598 0.906 20 0 ICADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc([C@@H]2CCCOC2)n1CCOCCS(C)(=O)=O ZINC001612997048 1072948108 /nfs/dbraw/zinc/94/81/08/1072948108.db2.gz GYGQYTILFWKSFH-KURKYZTESA-N 1 1 441.598 0.906 20 0 ICADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc([C@@H]2CCCOC2)n1CCOCCS(C)(=O)=O ZINC001612997050 1072948055 /nfs/dbraw/zinc/94/80/55/1072948055.db2.gz GYGQYTILFWKSFH-KZNAEPCWSA-N 1 1 441.598 0.906 20 0 ICADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc([C@H]2CCCOC2)n1CCOCCS(C)(=O)=O ZINC001612997052 1072948101 /nfs/dbraw/zinc/94/81/01/1072948101.db2.gz GYGQYTILFWKSFH-SQNIBIBYSA-N 1 1 441.598 0.906 20 0 ICADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(Cc2ccncc2)n1CCCNS(C)(=O)=O ZINC001612999987 1072948495 /nfs/dbraw/zinc/94/84/95/1072948495.db2.gz ZUNYJLBSXZXXDF-AEFFLSMTSA-N 1 1 433.582 0.876 20 0 ICADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(Cc2ccncc2)n1CCCNS(C)(=O)=O ZINC001612999988 1072948364 /nfs/dbraw/zinc/94/83/64/1072948364.db2.gz ZUNYJLBSXZXXDF-FUHWJXTLSA-N 1 1 433.582 0.876 20 0 ICADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(Cc2ccncc2)n1CCCNS(C)(=O)=O ZINC001612999989 1072948470 /nfs/dbraw/zinc/94/84/70/1072948470.db2.gz ZUNYJLBSXZXXDF-SJLPKXTDSA-N 1 1 433.582 0.876 20 0 ICADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(Cc2ccncc2)n1CCCNS(C)(=O)=O ZINC001612999990 1072948463 /nfs/dbraw/zinc/94/84/63/1072948463.db2.gz ZUNYJLBSXZXXDF-WMZOPIPTSA-N 1 1 433.582 0.876 20 0 ICADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001613010596 1072950336 /nfs/dbraw/zinc/95/03/36/1072950336.db2.gz MFSCAYLFKFMGCC-DLBZAZTESA-N 1 1 449.581 0.531 20 0 ICADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001613010596 1072950332 /nfs/dbraw/zinc/95/03/32/1072950332.db2.gz MFSCAYLFKFMGCC-DLBZAZTESA-N 1 1 449.581 0.531 20 0 ICADMO C[C@H]1CN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCOC[C@@H]2C)CCN1S(C)(=O)=O ZINC001613010597 1072950292 /nfs/dbraw/zinc/95/02/92/1072950292.db2.gz MFSCAYLFKFMGCC-IRXDYDNUSA-N 1 1 449.581 0.531 20 0 ICADMO C[C@H]1CN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCOC[C@@H]2C)CCN1S(C)(=O)=O ZINC001613010597 1072950286 /nfs/dbraw/zinc/95/02/86/1072950286.db2.gz MFSCAYLFKFMGCC-IRXDYDNUSA-N 1 1 449.581 0.531 20 0 ICADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001613010764 1072950262 /nfs/dbraw/zinc/95/02/62/1072950262.db2.gz MXPQNUCJHCKITL-GOSISDBHSA-N 1 1 428.537 0.961 20 0 ICADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001613010764 1072950257 /nfs/dbraw/zinc/95/02/57/1072950257.db2.gz MXPQNUCJHCKITL-GOSISDBHSA-N 1 1 428.537 0.961 20 0 ICADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001613010765 1072950351 /nfs/dbraw/zinc/95/03/51/1072950351.db2.gz MXPQNUCJHCKITL-SFHVURJKSA-N 1 1 428.537 0.961 20 0 ICADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001613010765 1072950348 /nfs/dbraw/zinc/95/03/48/1072950348.db2.gz MXPQNUCJHCKITL-SFHVURJKSA-N 1 1 428.537 0.961 20 0 ICADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccc[nH]2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001613011520 1072950799 /nfs/dbraw/zinc/95/07/99/1072950799.db2.gz VZLCMPVWKVUPKB-HNNXBMFYSA-N 1 1 437.570 0.512 20 0 ICADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccc[nH]2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001613011520 1072950795 /nfs/dbraw/zinc/95/07/95/1072950795.db2.gz VZLCMPVWKVUPKB-HNNXBMFYSA-N 1 1 437.570 0.512 20 0 ICADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccc[nH]2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001613011521 1072950893 /nfs/dbraw/zinc/95/08/93/1072950893.db2.gz VZLCMPVWKVUPKB-OAHLLOKOSA-N 1 1 437.570 0.512 20 0 ICADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccc[nH]2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001613011521 1072950891 /nfs/dbraw/zinc/95/08/91/1072950891.db2.gz VZLCMPVWKVUPKB-OAHLLOKOSA-N 1 1 437.570 0.512 20 0 ICADMO C[C@@H]1N(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[N@@H+](C)C2)CCOC1(C)C ZINC001613020194 1072951788 /nfs/dbraw/zinc/95/17/88/1072951788.db2.gz KOJLDSRHKZVCST-BTYIYWSLSA-N 1 1 429.525 0.996 20 0 ICADMO C[C@H]1N(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCOC1(C)C ZINC001613020195 1072951749 /nfs/dbraw/zinc/95/17/49/1072951749.db2.gz KOJLDSRHKZVCST-QVKFZJNVSA-N 1 1 429.525 0.996 20 0 ICADMO C[C@H]1N(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[N@@H+](C)C2)CCOC1(C)C ZINC001613020196 1072951732 /nfs/dbraw/zinc/95/17/32/1072951732.db2.gz KOJLDSRHKZVCST-VFNWGFHPSA-N 1 1 429.525 0.996 20 0 ICADMO C[C@@H]1N(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCOC1(C)C ZINC001613020197 1072951768 /nfs/dbraw/zinc/95/17/68/1072951768.db2.gz KOJLDSRHKZVCST-YCRPNKLZSA-N 1 1 429.525 0.996 20 0 ICADMO C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001613028525 1072953638 /nfs/dbraw/zinc/95/36/38/1072953638.db2.gz LZVWPHXDNQZGRV-HRAATJIYSA-N 1 1 433.557 0.766 20 0 ICADMO C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001613028525 1072953635 /nfs/dbraw/zinc/95/36/35/1072953635.db2.gz LZVWPHXDNQZGRV-HRAATJIYSA-N 1 1 433.557 0.766 20 0 ICADMO C[C@H]1OCC[C@]1(O)Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001613028526 1072953657 /nfs/dbraw/zinc/95/36/57/1072953657.db2.gz LZVWPHXDNQZGRV-IERDGZPVSA-N 1 1 433.557 0.766 20 0 ICADMO C[C@H]1OCC[C@]1(O)Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001613028526 1072953655 /nfs/dbraw/zinc/95/36/55/1072953655.db2.gz LZVWPHXDNQZGRV-IERDGZPVSA-N 1 1 433.557 0.766 20 0 ICADMO C[C@H]1OCC[C@@]1(O)Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001613028527 1072953581 /nfs/dbraw/zinc/95/35/81/1072953581.db2.gz LZVWPHXDNQZGRV-IIBYNOLFSA-N 1 1 433.557 0.766 20 0 ICADMO C[C@H]1OCC[C@@]1(O)Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001613028527 1072953577 /nfs/dbraw/zinc/95/35/77/1072953577.db2.gz LZVWPHXDNQZGRV-IIBYNOLFSA-N 1 1 433.557 0.766 20 0 ICADMO C[C@@H]1OCC[C@]1(O)Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001613028528 1072953621 /nfs/dbraw/zinc/95/36/21/1072953621.db2.gz LZVWPHXDNQZGRV-KKSFZXQISA-N 1 1 433.557 0.766 20 0 ICADMO C[C@@H]1OCC[C@]1(O)Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001613028528 1072953620 /nfs/dbraw/zinc/95/36/20/1072953620.db2.gz LZVWPHXDNQZGRV-KKSFZXQISA-N 1 1 433.557 0.766 20 0 ICADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001613198807 1072962459 /nfs/dbraw/zinc/96/24/59/1072962459.db2.gz BPGWBBBGHMVKCE-LUKYLMHMSA-N 1 1 433.557 0.937 20 0 ICADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001613198808 1072962305 /nfs/dbraw/zinc/96/23/05/1072962305.db2.gz BPGWBBBGHMVKCE-QAETUUGQSA-N 1 1 433.557 0.937 20 0 ICADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001613198809 1072962409 /nfs/dbraw/zinc/96/24/09/1072962409.db2.gz BPGWBBBGHMVKCE-VVLHAWIVSA-N 1 1 433.557 0.937 20 0 ICADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001613198810 1072962427 /nfs/dbraw/zinc/96/24/27/1072962427.db2.gz BPGWBBBGHMVKCE-YVSFHVDLSA-N 1 1 433.557 0.937 20 0 ICADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCCn1cnnn1 ZINC001613199091 1072962364 /nfs/dbraw/zinc/96/23/64/1072962364.db2.gz FYXQGOXSWJQJRK-JENIJYKNSA-N 1 1 444.588 0.857 20 0 ICADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CCCn1cnnn1 ZINC001613199092 1072962316 /nfs/dbraw/zinc/96/23/16/1072962316.db2.gz FYXQGOXSWJQJRK-LNLFQRSKSA-N 1 1 444.588 0.857 20 0 ICADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCCn1cnnn1 ZINC001613199093 1072962371 /nfs/dbraw/zinc/96/23/71/1072962371.db2.gz FYXQGOXSWJQJRK-SCTDSRPQSA-N 1 1 444.588 0.857 20 0 ICADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCCn1cnnn1 ZINC001613199094 1072962398 /nfs/dbraw/zinc/96/23/98/1072962398.db2.gz FYXQGOXSWJQJRK-YQVWRLOYSA-N 1 1 444.588 0.857 20 0 ICADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1ncn(C)n1 ZINC001613200669 1072962351 /nfs/dbraw/zinc/96/23/51/1072962351.db2.gz SHMHMSKDJDDYGL-BQFCYCMXSA-N 1 1 429.573 0.957 20 0 ICADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ncn(C)n1 ZINC001613200671 1072962448 /nfs/dbraw/zinc/96/24/48/1072962448.db2.gz SHMHMSKDJDDYGL-JZXOWHBKSA-N 1 1 429.573 0.957 20 0 ICADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ncn(C)n1 ZINC001613200673 1072962323 /nfs/dbraw/zinc/96/23/23/1072962323.db2.gz SHMHMSKDJDDYGL-LZLYRXPVSA-N 1 1 429.573 0.957 20 0 ICADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ncn(C)n1 ZINC001613200675 1072962419 /nfs/dbraw/zinc/96/24/19/1072962419.db2.gz SHMHMSKDJDDYGL-XYJFISCASA-N 1 1 429.573 0.957 20 0 ICADMO CC[C@@H](C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001613219751 1072962816 /nfs/dbraw/zinc/96/28/16/1072962816.db2.gz KTLWGIREABCBRY-APWZRJJASA-N 1 1 428.603 0.984 20 0 ICADMO CC[C@H](C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001613219752 1072962780 /nfs/dbraw/zinc/96/27/80/1072962780.db2.gz KTLWGIREABCBRY-LPHOPBHVSA-N 1 1 428.603 0.984 20 0 ICADMO CC[C@H](C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001613219753 1072962830 /nfs/dbraw/zinc/96/28/30/1072962830.db2.gz KTLWGIREABCBRY-QFBILLFUSA-N 1 1 428.603 0.984 20 0 ICADMO CC[C@@H](C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001613219754 1072962847 /nfs/dbraw/zinc/96/28/47/1072962847.db2.gz KTLWGIREABCBRY-VQIMIIECSA-N 1 1 428.603 0.984 20 0 ICADMO CC[C@H](C)c1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001613273874 1072964193 /nfs/dbraw/zinc/96/41/93/1072964193.db2.gz YAPCZSZLOTWRLT-ABSDTBQOSA-N 1 1 442.630 0.966 20 0 ICADMO CC[C@H](C)c1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001613273875 1072964146 /nfs/dbraw/zinc/96/41/46/1072964146.db2.gz YAPCZSZLOTWRLT-QKLQHJQFSA-N 1 1 442.630 0.966 20 0 ICADMO CC[C@H](C)c1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001613273876 1072964109 /nfs/dbraw/zinc/96/41/09/1072964109.db2.gz YAPCZSZLOTWRLT-SQGPQFPESA-N 1 1 442.630 0.966 20 0 ICADMO CC[C@H](C)c1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001613273877 1072964171 /nfs/dbraw/zinc/96/41/71/1072964171.db2.gz YAPCZSZLOTWRLT-ZWOKBUDYSA-N 1 1 442.630 0.966 20 0 ICADMO CC[C@H](C)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001613300628 1072965050 /nfs/dbraw/zinc/96/50/50/1072965050.db2.gz VCLCTKUTHHFJLE-HTAPYJJXSA-N 1 1 447.584 0.129 20 0 ICADMO CC[C@H](C)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001613300631 1072965041 /nfs/dbraw/zinc/96/50/41/1072965041.db2.gz VCLCTKUTHHFJLE-JTSKRJEESA-N 1 1 447.584 0.129 20 0 ICADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001613300633 1072964915 /nfs/dbraw/zinc/96/49/15/1072964915.db2.gz VCLCTKUTHHFJLE-VGOFRKELSA-N 1 1 447.584 0.129 20 0 ICADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001613300634 1072964924 /nfs/dbraw/zinc/96/49/24/1072964924.db2.gz VCLCTKUTHHFJLE-VGSWGCGISA-N 1 1 447.584 0.129 20 0 ICADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CCC[NH+]1CCOCC1 ZINC001613302666 1072965545 /nfs/dbraw/zinc/96/55/45/1072965545.db2.gz XTZNJRMBPBKFET-GOSISDBHSA-N 1 1 449.600 0.687 20 0 ICADMO CC[C@H](C)c1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CCC[NH+]1CCOCC1 ZINC001613302667 1072965578 /nfs/dbraw/zinc/96/55/78/1072965578.db2.gz XTZNJRMBPBKFET-SFHVURJKSA-N 1 1 449.600 0.687 20 0 ICADMO CC[C@H](C)c1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001613305151 1072965513 /nfs/dbraw/zinc/96/55/13/1072965513.db2.gz NJVMASXEDCLCIT-KRWDZBQOSA-N 1 1 428.545 0.389 20 0 ICADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001613305152 1072965555 /nfs/dbraw/zinc/96/55/55/1072965555.db2.gz NJVMASXEDCLCIT-QGZVFWFLSA-N 1 1 428.545 0.389 20 0 ICADMO CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001613338959 1072967339 /nfs/dbraw/zinc/96/73/39/1072967339.db2.gz UOSMCLAPKDBXBX-INIZCTEOSA-N 1 1 428.603 0.984 20 0 ICADMO CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001613338960 1072967382 /nfs/dbraw/zinc/96/73/82/1072967382.db2.gz UOSMCLAPKDBXBX-MRXNPFEDSA-N 1 1 428.603 0.984 20 0 ICADMO CC[C@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001613340281 1072967746 /nfs/dbraw/zinc/96/77/46/1072967746.db2.gz ZOZFQIHYLGMAQR-BZSNNMDCSA-N 1 1 447.584 0.295 20 0 ICADMO CC[C@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001613340282 1072968247 /nfs/dbraw/zinc/96/82/47/1072968247.db2.gz ZOZFQIHYLGMAQR-KSZLIROESA-N 1 1 447.584 0.295 20 0 ICADMO CC[C@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001613340283 1072968186 /nfs/dbraw/zinc/96/81/86/1072968186.db2.gz ZOZFQIHYLGMAQR-OKZBNKHCSA-N 1 1 447.584 0.295 20 0 ICADMO CC[C@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001613340284 1072968173 /nfs/dbraw/zinc/96/81/73/1072968173.db2.gz ZOZFQIHYLGMAQR-RCCFBDPRSA-N 1 1 447.584 0.295 20 0 ICADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001613400294 1072969514 /nfs/dbraw/zinc/96/95/14/1072969514.db2.gz CAGMJUAZNHFBFG-CVEARBPZSA-N 1 1 426.587 0.868 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001613400296 1072969617 /nfs/dbraw/zinc/96/96/17/1072969617.db2.gz CAGMJUAZNHFBFG-HOTGVXAUSA-N 1 1 426.587 0.868 20 0 ICADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001613400297 1072969562 /nfs/dbraw/zinc/96/95/62/1072969562.db2.gz CAGMJUAZNHFBFG-HZPDHXFCSA-N 1 1 426.587 0.868 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001613400299 1072969458 /nfs/dbraw/zinc/96/94/58/1072969458.db2.gz CAGMJUAZNHFBFG-JKSUJKDBSA-N 1 1 426.587 0.868 20 0 ICADMO 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CC[C@@H](C)[N@@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001613408552 1072969980 /nfs/dbraw/zinc/96/99/80/1072969980.db2.gz IGFYRIWXUDKULD-RHSMWYFYSA-N 1 1 447.540 0.687 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001613408553 1072969865 /nfs/dbraw/zinc/96/98/65/1072969865.db2.gz IGFYRIWXUDKULD-WMLDXEAASA-N 1 1 447.540 0.687 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001613408554 1072969832 /nfs/dbraw/zinc/96/98/32/1072969832.db2.gz IGFYRIWXUDKULD-YOEHRIQHSA-N 1 1 447.540 0.687 20 0 ICADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC001613409217 1072969883 /nfs/dbraw/zinc/96/98/83/1072969883.db2.gz UMYUFQKNQTVJMQ-KRWDZBQOSA-N 1 1 443.600 0.810 20 0 ICADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC001613409218 1072969969 /nfs/dbraw/zinc/96/99/69/1072969969.db2.gz UMYUFQKNQTVJMQ-QGZVFWFLSA-N 1 1 443.600 0.810 20 0 ICADMO 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CCc1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001613956295 1073003466 /nfs/dbraw/zinc/00/34/66/1073003466.db2.gz PQYOLRMSKCCWDS-LJQANCHMSA-N 1 1 447.628 0.942 20 0 ICADMO CCc1nnc(N2CCC(C(=O)NCCOC)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001613957107 1073003526 /nfs/dbraw/zinc/00/35/26/1073003526.db2.gz OKGNOKIITBAGBX-GOSISDBHSA-N 1 1 435.617 0.846 20 0 ICADMO CCc1nnc(N2CCC(C(=O)NCCOC)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001613957108 1073003435 /nfs/dbraw/zinc/00/34/35/1073003435.db2.gz OKGNOKIITBAGBX-SFHVURJKSA-N 1 1 435.617 0.846 20 0 ICADMO CCc1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001613968069 1073003811 /nfs/dbraw/zinc/00/38/11/1073003811.db2.gz UFYSIHIXXSDOOU-APWZRJJASA-N 1 1 446.600 0.633 20 0 ICADMO CCc1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001613968073 1073003885 /nfs/dbraw/zinc/00/38/85/1073003885.db2.gz UFYSIHIXXSDOOU-LPHOPBHVSA-N 1 1 446.600 0.633 20 0 ICADMO 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CCc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001613975395 1073004346 /nfs/dbraw/zinc/00/43/46/1073004346.db2.gz XFTYBJGRLZXJAE-UHFFFAOYSA-N 1 1 441.646 0.728 20 0 ICADMO CCc1nnc(N2CCC(NC(=O)COC)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001613978270 1073005042 /nfs/dbraw/zinc/00/50/42/1073005042.db2.gz ROCKFSQJTWTRRT-GOSISDBHSA-N 1 1 435.617 0.846 20 0 ICADMO CCc1nnc(N2CCC(NC(=O)COC)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001613978271 1073004868 /nfs/dbraw/zinc/00/48/68/1073004868.db2.gz ROCKFSQJTWTRRT-SFHVURJKSA-N 1 1 435.617 0.846 20 0 ICADMO CCc1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001613979778 1073005408 /nfs/dbraw/zinc/00/54/08/1073005408.db2.gz MPWAABOYSLDKIG-KRWDZBQOSA-N 1 1 428.603 0.595 20 0 ICADMO CCc1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001613979779 1073005305 /nfs/dbraw/zinc/00/53/05/1073005305.db2.gz MPWAABOYSLDKIG-QGZVFWFLSA-N 1 1 428.603 0.595 20 0 ICADMO CCc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001613979837 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IKQVUFHFBQMZDK-QGZVFWFLSA-N 1 1 428.603 0.671 20 0 ICADMO CCc1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001614000653 1073006196 /nfs/dbraw/zinc/00/61/96/1073006196.db2.gz DUAIJYWMSKXGQR-HNNXBMFYSA-N 1 1 431.545 0.483 20 0 ICADMO CCc1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001614000658 1073006298 /nfs/dbraw/zinc/00/62/98/1073006298.db2.gz DUAIJYWMSKXGQR-OAHLLOKOSA-N 1 1 431.545 0.483 20 0 ICADMO CCc1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001614001327 1073006840 /nfs/dbraw/zinc/00/68/40/1073006840.db2.gz LSDQPYHINHVGJF-DLBZAZTESA-N 1 1 445.572 0.729 20 0 ICADMO CCc1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001614001329 1073006731 /nfs/dbraw/zinc/00/67/31/1073006731.db2.gz LSDQPYHINHVGJF-IAGOWNOFSA-N 1 1 445.572 0.729 20 0 ICADMO CCc1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001614001336 1073006565 /nfs/dbraw/zinc/00/65/65/1073006565.db2.gz LSDQPYHINHVGJF-IRXDYDNUSA-N 1 1 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CCc1nnc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1CCn1cc[nH+]c1C ZINC001614004007 1073006658 /nfs/dbraw/zinc/00/66/58/1073006658.db2.gz CYQQCNJRHQONEP-KRWDZBQOSA-N 1 1 437.570 0.676 20 0 ICADMO CCc1nnc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1CCn1cc[nH+]c1C ZINC001614004008 1073006777 /nfs/dbraw/zinc/00/67/77/1073006777.db2.gz CYQQCNJRHQONEP-QGZVFWFLSA-N 1 1 437.570 0.676 20 0 ICADMO CCc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001614005284 1073007320 /nfs/dbraw/zinc/00/73/20/1073007320.db2.gz IHHMQJPJDUSOHR-DLBZAZTESA-N 1 1 440.614 0.797 20 0 ICADMO CCc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001614005284 1073007315 /nfs/dbraw/zinc/00/73/15/1073007315.db2.gz IHHMQJPJDUSOHR-DLBZAZTESA-N 1 1 440.614 0.797 20 0 ICADMO CCc1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001614005285 1073007158 /nfs/dbraw/zinc/00/71/58/1073007158.db2.gz IHHMQJPJDUSOHR-IAGOWNOFSA-N 1 1 440.614 0.797 20 0 ICADMO CCc1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001614005285 1073007146 /nfs/dbraw/zinc/00/71/46/1073007146.db2.gz IHHMQJPJDUSOHR-IAGOWNOFSA-N 1 1 440.614 0.797 20 0 ICADMO CCc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001614005286 1073007068 /nfs/dbraw/zinc/00/70/68/1073007068.db2.gz IHHMQJPJDUSOHR-IRXDYDNUSA-N 1 1 440.614 0.797 20 0 ICADMO CCc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001614005286 1073007056 /nfs/dbraw/zinc/00/70/56/1073007056.db2.gz IHHMQJPJDUSOHR-IRXDYDNUSA-N 1 1 440.614 0.797 20 0 ICADMO CCc1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001614005287 1073007257 /nfs/dbraw/zinc/00/72/57/1073007257.db2.gz IHHMQJPJDUSOHR-SJORKVTESA-N 1 1 440.614 0.797 20 0 ICADMO CCc1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001614005287 1073007252 /nfs/dbraw/zinc/00/72/52/1073007252.db2.gz IHHMQJPJDUSOHR-SJORKVTESA-N 1 1 440.614 0.797 20 0 ICADMO 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CCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001614018287 1073010294 /nfs/dbraw/zinc/01/02/94/1073010294.db2.gz LJMFFIQTWIYHRY-PMACEKPBSA-N 1 1 447.628 0.942 20 0 ICADMO CCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001614018288 1073010471 /nfs/dbraw/zinc/01/04/71/1073010471.db2.gz LJMFFIQTWIYHRY-UXHICEINSA-N 1 1 447.628 0.942 20 0 ICADMO CCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001614018289 1073010813 /nfs/dbraw/zinc/01/08/13/1073010813.db2.gz LJMFFIQTWIYHRY-VQTJNVASSA-N 1 1 447.628 0.942 20 0 ICADMO CCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001614018290 1073010776 /nfs/dbraw/zinc/01/07/76/1073010776.db2.gz LJMFFIQTWIYHRY-WOJBJXKFSA-N 1 1 447.628 0.942 20 0 ICADMO CCc1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001614018330 1073011045 /nfs/dbraw/zinc/01/10/45/1073011045.db2.gz MUSCRUALULADRU-DLBZAZTESA-N 1 1 430.561 0.296 20 0 ICADMO 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CCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001614039327 1073017438 /nfs/dbraw/zinc/01/74/38/1073017438.db2.gz VRSMUKQPPDVFMR-PBHICJAKSA-N 1 1 445.955 0.944 20 0 ICADMO CCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001614039328 1073017115 /nfs/dbraw/zinc/01/71/15/1073017115.db2.gz VRSMUKQPPDVFMR-RHSMWYFYSA-N 1 1 445.955 0.944 20 0 ICADMO CCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001614039329 1073017372 /nfs/dbraw/zinc/01/73/72/1073017372.db2.gz VRSMUKQPPDVFMR-WMLDXEAASA-N 1 1 445.955 0.944 20 0 ICADMO CCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001614039330 1073017319 /nfs/dbraw/zinc/01/73/19/1073017319.db2.gz VRSMUKQPPDVFMR-YOEHRIQHSA-N 1 1 445.955 0.944 20 0 ICADMO CCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001614039331 1073017137 /nfs/dbraw/zinc/01/71/37/1073017137.db2.gz VSTJITBHVICKLL-KRWDZBQOSA-N 1 1 427.619 0.196 20 0 ICADMO 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CCc1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001614039886 1073017969 /nfs/dbraw/zinc/01/79/69/1073017969.db2.gz IDVWBMGIKBKSIP-IIBYNOLFSA-N 1 1 433.557 0.814 20 0 ICADMO CCc1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001614039887 1073017855 /nfs/dbraw/zinc/01/78/55/1073017855.db2.gz IDVWBMGIKBKSIP-KKSFZXQISA-N 1 1 433.557 0.814 20 0 ICADMO CCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001614039900 1073017830 /nfs/dbraw/zinc/01/78/30/1073017830.db2.gz INPSSCJGGNFXSJ-DLBZAZTESA-N 1 1 433.557 0.550 20 0 ICADMO CCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001614039901 1073017994 /nfs/dbraw/zinc/01/79/94/1073017994.db2.gz INPSSCJGGNFXSJ-IAGOWNOFSA-N 1 1 433.557 0.550 20 0 ICADMO CCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001614039902 1073017946 /nfs/dbraw/zinc/01/79/46/1073017946.db2.gz INPSSCJGGNFXSJ-IRXDYDNUSA-N 1 1 433.557 0.550 20 0 ICADMO CCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001614039903 1073017677 /nfs/dbraw/zinc/01/76/77/1073017677.db2.gz INPSSCJGGNFXSJ-SJORKVTESA-N 1 1 433.557 0.550 20 0 ICADMO CCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001614040019 1073018014 /nfs/dbraw/zinc/01/80/14/1073018014.db2.gz LEKBJAHMJKFHGB-DLBZAZTESA-N 1 1 433.557 0.670 20 0 ICADMO CCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001614040020 1073017797 /nfs/dbraw/zinc/01/77/97/1073017797.db2.gz LEKBJAHMJKFHGB-IAGOWNOFSA-N 1 1 433.557 0.670 20 0 ICADMO CCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001614040021 1073017986 /nfs/dbraw/zinc/01/79/86/1073017986.db2.gz LEKBJAHMJKFHGB-IRXDYDNUSA-N 1 1 433.557 0.670 20 0 ICADMO CCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001614040022 1073017913 /nfs/dbraw/zinc/01/79/13/1073017913.db2.gz LEKBJAHMJKFHGB-SJORKVTESA-N 1 1 433.557 0.670 20 0 ICADMO CCc1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCS(=O)(=O)N1CCSCC1 ZINC001614040050 1073017766 /nfs/dbraw/zinc/01/77/66/1073017766.db2.gz LPRWZLUJFWVQPL-INIZCTEOSA-N 1 1 428.628 0.894 20 0 ICADMO CCc1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCS(=O)(=O)N1CCSCC1 ZINC001614040051 1073018031 /nfs/dbraw/zinc/01/80/31/1073018031.db2.gz LPRWZLUJFWVQPL-MRXNPFEDSA-N 1 1 428.628 0.894 20 0 ICADMO CCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001614040116 1073017699 /nfs/dbraw/zinc/01/76/99/1073017699.db2.gz NHUQUHQLQUKLDS-GOSISDBHSA-N 1 1 446.600 0.587 20 0 ICADMO CCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001614040117 1073017933 /nfs/dbraw/zinc/01/79/33/1073017933.db2.gz NHUQUHQLQUKLDS-SFHVURJKSA-N 1 1 446.600 0.587 20 0 ICADMO CCc1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC001614040421 1073018349 /nfs/dbraw/zinc/01/83/49/1073018349.db2.gz VDNXALPCSRVYGH-GOSISDBHSA-N 1 1 425.537 0.778 20 0 ICADMO CCc1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC001614040422 1073018429 /nfs/dbraw/zinc/01/84/29/1073018429.db2.gz VDNXALPCSRVYGH-SFHVURJKSA-N 1 1 425.537 0.778 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)NC(C)C)n1CCCCN1CC[NH+](CC)CC1 ZINC001614066416 1073019994 /nfs/dbraw/zinc/01/99/94/1073019994.db2.gz VXICZHJPZHBRQM-GOSISDBHSA-N 1 1 448.616 0.549 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(C(=O)NC(C)C)n1CCCCN1CC[NH+](CC)CC1 ZINC001614066417 1073020038 /nfs/dbraw/zinc/02/00/38/1073020038.db2.gz VXICZHJPZHBRQM-SFHVURJKSA-N 1 1 448.616 0.549 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[N@H+]1CC ZINC001614067054 1073020392 /nfs/dbraw/zinc/02/03/92/1073020392.db2.gz HLRMXPPWXYDMEE-QLFBSQMISA-N 1 1 427.575 0.087 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[N@H+]1CC ZINC001614067055 1073020444 /nfs/dbraw/zinc/02/04/44/1073020444.db2.gz HLRMXPPWXYDMEE-RBSFLKMASA-N 1 1 427.575 0.087 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[N@H+]1CC ZINC001614067056 1073020411 /nfs/dbraw/zinc/02/04/11/1073020411.db2.gz HLRMXPPWXYDMEE-RRFJBIMHSA-N 1 1 427.575 0.087 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[N@H+]1CC ZINC001614067057 1073020357 /nfs/dbraw/zinc/02/03/57/1073020357.db2.gz HLRMXPPWXYDMEE-SOUVJXGZSA-N 1 1 427.575 0.087 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc[nH]2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001614072251 1073021555 /nfs/dbraw/zinc/02/15/55/1073021555.db2.gz DHNUOVWOGHHGGT-MSOLQXFVSA-N 1 1 442.568 0.931 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc[nH]2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001614072252 1073021505 /nfs/dbraw/zinc/02/15/05/1073021505.db2.gz DHNUOVWOGHHGGT-QZTJIDSGSA-N 1 1 442.568 0.931 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc[nH]2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001614072253 1073021626 /nfs/dbraw/zinc/02/16/26/1073021626.db2.gz DHNUOVWOGHHGGT-ROUUACIJSA-N 1 1 442.568 0.931 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc[nH]2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001614072254 1073021598 /nfs/dbraw/zinc/02/15/98/1073021598.db2.gz DHNUOVWOGHHGGT-ZWKOTPCHSA-N 1 1 442.568 0.931 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001614073525 1073022071 /nfs/dbraw/zinc/02/20/71/1073022071.db2.gz DZPSMPOEXCZTQD-BRWVUGGUSA-N 1 1 433.557 0.301 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001614073526 1073022127 /nfs/dbraw/zinc/02/21/27/1073022127.db2.gz DZPSMPOEXCZTQD-GVDBMIGSSA-N 1 1 433.557 0.301 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001614073527 1073021943 /nfs/dbraw/zinc/02/19/43/1073021943.db2.gz DZPSMPOEXCZTQD-IXDOHACOSA-N 1 1 433.557 0.301 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001614073528 1073022010 /nfs/dbraw/zinc/02/20/10/1073022010.db2.gz DZPSMPOEXCZTQD-YESZJQIVSA-N 1 1 433.557 0.301 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2cnccn2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001614074006 1073022115 /nfs/dbraw/zinc/02/21/15/1073022115.db2.gz NLPMVRNUZNZQMJ-JZXOWHBKSA-N 1 1 428.541 0.949 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cnccn2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001614074007 1073021969 /nfs/dbraw/zinc/02/19/69/1073021969.db2.gz NLPMVRNUZNZQMJ-SOLBZPMBSA-N 1 1 428.541 0.949 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cnn(C)c2)n1CCCN1CC[NH+](CC)CC1 ZINC001614074126 1073021929 /nfs/dbraw/zinc/02/19/29/1073021929.db2.gz OYZIWVVGWGPNJG-GOSISDBHSA-N 1 1 429.573 0.421 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2cnn(C)c2)n1CCCN1CC[NH+](CC)CC1 ZINC001614074127 1073022136 /nfs/dbraw/zinc/02/21/36/1073022136.db2.gz OYZIWVVGWGPNJG-SFHVURJKSA-N 1 1 429.573 0.421 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2cnccn2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001614074282 1073022577 /nfs/dbraw/zinc/02/25/77/1073022577.db2.gz SPYVHMFYBSCNQI-AEFFLSMTSA-N 1 1 428.541 0.807 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cnccn2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001614074283 1073022350 /nfs/dbraw/zinc/02/23/50/1073022350.db2.gz SPYVHMFYBSCNQI-FUHWJXTLSA-N 1 1 428.541 0.807 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cnccn2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001614074284 1073022398 /nfs/dbraw/zinc/02/23/98/1073022398.db2.gz SPYVHMFYBSCNQI-SJLPKXTDSA-N 1 1 428.541 0.807 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2cnccn2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001614074285 1073022506 /nfs/dbraw/zinc/02/25/06/1073022506.db2.gz SPYVHMFYBSCNQI-WMZOPIPTSA-N 1 1 428.541 0.807 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2cnn(C)c2)n1CCCCN1CC[NH+](CC)CC1 ZINC001614074468 1073022436 /nfs/dbraw/zinc/02/24/36/1073022436.db2.gz WPMAECOKQSQAKP-IBGZPJMESA-N 1 1 443.600 0.811 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cnn(C)c2)n1CCCCN1CC[NH+](CC)CC1 ZINC001614074469 1073022646 /nfs/dbraw/zinc/02/26/46/1073022646.db2.gz WPMAECOKQSQAKP-LJQANCHMSA-N 1 1 443.600 0.811 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCOC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001614075750 1073023207 /nfs/dbraw/zinc/02/32/07/1073023207.db2.gz MNFBSUPQLUFPKO-KSZLIROESA-N 1 1 447.584 0.440 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCOC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001614075751 1073023329 /nfs/dbraw/zinc/02/33/29/1073023329.db2.gz MNFBSUPQLUFPKO-KURKYZTESA-N 1 1 447.584 0.440 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCOC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001614075752 1073023250 /nfs/dbraw/zinc/02/32/50/1073023250.db2.gz MNFBSUPQLUFPKO-KZNAEPCWSA-N 1 1 447.584 0.440 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCOC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001614075753 1073023153 /nfs/dbraw/zinc/02/31/53/1073023153.db2.gz MNFBSUPQLUFPKO-RCCFBDPRSA-N 1 1 447.584 0.440 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@@H+](C)C(C)C ZINC001614076842 1073023777 /nfs/dbraw/zinc/02/37/77/1073023777.db2.gz VDDOYMVBUKQYJU-CVEARBPZSA-N 1 1 426.587 0.625 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@@H+](C)C(C)C ZINC001614076844 1073023661 /nfs/dbraw/zinc/02/36/61/1073023661.db2.gz VDDOYMVBUKQYJU-HOTGVXAUSA-N 1 1 426.587 0.625 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@@H+](C)C(C)C ZINC001614076845 1073023831 /nfs/dbraw/zinc/02/38/31/1073023831.db2.gz VDDOYMVBUKQYJU-HZPDHXFCSA-N 1 1 426.587 0.625 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@@H+](C)C(C)C ZINC001614076847 1073023712 /nfs/dbraw/zinc/02/37/12/1073023712.db2.gz VDDOYMVBUKQYJU-JKSUJKDBSA-N 1 1 426.587 0.625 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(Cc2cccnc2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001614078310 1073024489 /nfs/dbraw/zinc/02/44/89/1073024489.db2.gz MYPWZRDWBPVLBH-MOPGFXCFSA-N 1 1 427.553 0.826 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001614078311 1073024597 /nfs/dbraw/zinc/02/45/97/1073024597.db2.gz MYPWZRDWBPVLBH-OALUTQOASA-N 1 1 427.553 0.826 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001614078312 1073024678 /nfs/dbraw/zinc/02/46/78/1073024678.db2.gz MYPWZRDWBPVLBH-RBUKOAKNSA-N 1 1 427.553 0.826 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2cccnc2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001614078313 1073024578 /nfs/dbraw/zinc/02/45/78/1073024578.db2.gz MYPWZRDWBPVLBH-RTBURBONSA-N 1 1 427.553 0.826 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(CC2CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001614078690 1073024719 /nfs/dbraw/zinc/02/47/19/1073024719.db2.gz VVRGGEKXWPAQNR-MSOLQXFVSA-N 1 1 431.585 0.888 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(CC2CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001614078691 1073024525 /nfs/dbraw/zinc/02/45/25/1073024525.db2.gz VVRGGEKXWPAQNR-QZTJIDSGSA-N 1 1 431.585 0.888 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(CC2CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001614078692 1073024442 /nfs/dbraw/zinc/02/44/42/1073024442.db2.gz VVRGGEKXWPAQNR-ROUUACIJSA-N 1 1 431.585 0.888 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(CC2CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001614078693 1073024624 /nfs/dbraw/zinc/02/46/24/1073024624.db2.gz VVRGGEKXWPAQNR-ZWKOTPCHSA-N 1 1 431.585 0.888 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(CN2CCCC2=O)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001614079520 1073025209 /nfs/dbraw/zinc/02/52/09/1073025209.db2.gz DZIPSJRJHZUSFA-MSOLQXFVSA-N 1 1 447.584 0.472 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(CN2CCCC2=O)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001614079521 1073025050 /nfs/dbraw/zinc/02/50/50/1073025050.db2.gz DZIPSJRJHZUSFA-QZTJIDSGSA-N 1 1 447.584 0.472 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(CN2CCCC2=O)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001614079522 1073024993 /nfs/dbraw/zinc/02/49/93/1073024993.db2.gz DZIPSJRJHZUSFA-ROUUACIJSA-N 1 1 447.584 0.472 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(CN2CCCC2=O)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001614079523 1073025120 /nfs/dbraw/zinc/02/51/20/1073025120.db2.gz DZIPSJRJHZUSFA-ZWKOTPCHSA-N 1 1 447.584 0.472 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(CN2CCCC2=O)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001614080546 1073025541 /nfs/dbraw/zinc/02/55/41/1073025541.db2.gz PYLSWMRVPMGCLN-DLBZAZTESA-N 1 1 433.557 0.084 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(CN2CCCC2=O)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001614080547 1073025716 /nfs/dbraw/zinc/02/57/16/1073025716.db2.gz PYLSWMRVPMGCLN-IAGOWNOFSA-N 1 1 433.557 0.084 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(CN2CCCC2=O)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001614080548 1073025442 /nfs/dbraw/zinc/02/54/42/1073025442.db2.gz PYLSWMRVPMGCLN-IRXDYDNUSA-N 1 1 433.557 0.084 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(CN2CCCC2=O)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001614080549 1073025633 /nfs/dbraw/zinc/02/56/33/1073025633.db2.gz PYLSWMRVPMGCLN-SJORKVTESA-N 1 1 433.557 0.084 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(CN2CCCC2=O)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001614081396 1073026152 /nfs/dbraw/zinc/02/61/52/1073026152.db2.gz ZSCNCLLRISLGBE-MSOLQXFVSA-N 1 1 447.584 0.616 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(CN2CCCC2=O)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001614081397 1073025975 /nfs/dbraw/zinc/02/59/75/1073025975.db2.gz ZSCNCLLRISLGBE-QZTJIDSGSA-N 1 1 447.584 0.616 20 0 ICADMO CC[C@H]1C(=O)NCCN1c1nnc(CN2CCCC2=O)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001614081398 1073026096 /nfs/dbraw/zinc/02/60/96/1073026096.db2.gz ZSCNCLLRISLGBE-ROUUACIJSA-N 1 1 447.584 0.616 20 0 ICADMO CC[C@@H]1C(=O)NCCN1c1nnc(CN2CCCC2=O)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001614081399 1073025936 /nfs/dbraw/zinc/02/59/36/1073025936.db2.gz ZSCNCLLRISLGBE-ZWKOTPCHSA-N 1 1 447.584 0.616 20 0 ICADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001614139251 1073027596 /nfs/dbraw/zinc/02/75/96/1073027596.db2.gz CCLUQVAJBXVCLV-BRSBDYLESA-N 1 1 448.568 0.854 20 0 ICADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001614139252 1073027635 /nfs/dbraw/zinc/02/76/35/1073027635.db2.gz CCLUQVAJBXVCLV-VSZNYVQBSA-N 1 1 448.568 0.854 20 0 ICADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001614139253 1073027821 /nfs/dbraw/zinc/02/78/21/1073027821.db2.gz CCLUQVAJBXVCLV-XMTFNYHQSA-N 1 1 448.568 0.854 20 0 ICADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001614139254 1073027738 /nfs/dbraw/zinc/02/77/38/1073027738.db2.gz CCLUQVAJBXVCLV-ZJPYXAASSA-N 1 1 448.568 0.854 20 0 ICADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](F)COC)C[C@H]1[NH+]1CCOCC1 ZINC001614196627 1073028965 /nfs/dbraw/zinc/02/89/65/1073028965.db2.gz MMZBVEHWOADRAJ-BRWVUGGUSA-N 1 1 426.537 0.948 20 0 ICADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H](F)COC)C[C@@H]1[NH+]1CCOCC1 ZINC001614196628 1073029213 /nfs/dbraw/zinc/02/92/13/1073029213.db2.gz MMZBVEHWOADRAJ-IKGGRYGDSA-N 1 1 426.537 0.948 20 0 ICADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H](F)COC)C[C@H]1[NH+]1CCOCC1 ZINC001614196629 1073028990 /nfs/dbraw/zinc/02/89/90/1073028990.db2.gz MMZBVEHWOADRAJ-IXDOHACOSA-N 1 1 426.537 0.948 20 0 ICADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](F)COC)C[C@@H]1[NH+]1CCOCC1 ZINC001614196630 1073029011 /nfs/dbraw/zinc/02/90/11/1073029011.db2.gz MMZBVEHWOADRAJ-ZACQAIPSSA-N 1 1 426.537 0.948 20 0 ICADMO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(=O)N(C)CC)C[C@@H]1[NH+]1CCOCC1 ZINC001614196927 1073029156 /nfs/dbraw/zinc/02/91/56/1073029156.db2.gz IIDZJIXJGQMUAB-MSOLQXFVSA-N 1 1 447.584 0.539 20 0 ICADMO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(=O)N(C)CC)C[C@H]1[NH+]1CCOCC1 ZINC001614196928 1073029694 /nfs/dbraw/zinc/02/96/94/1073029694.db2.gz IIDZJIXJGQMUAB-QZTJIDSGSA-N 1 1 447.584 0.539 20 0 ICADMO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(=O)N(C)CC)C[C@@H]1[NH+]1CCOCC1 ZINC001614196929 1073029540 /nfs/dbraw/zinc/02/95/40/1073029540.db2.gz IIDZJIXJGQMUAB-ROUUACIJSA-N 1 1 447.584 0.539 20 0 ICADMO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(=O)N(C)CC)C[C@H]1[NH+]1CCOCC1 ZINC001614196930 1073029513 /nfs/dbraw/zinc/02/95/13/1073029513.db2.gz IIDZJIXJGQMUAB-ZWKOTPCHSA-N 1 1 447.584 0.539 20 0 ICADMO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(C)CN(C)C2=O)CC[N@H+]1CCOC ZINC001614197491 1073029724 /nfs/dbraw/zinc/02/97/24/1073029724.db2.gz PCUJMDPUKYVYLU-HTAPYJJXSA-N 1 1 447.584 0.539 20 0 ICADMO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(C)CN(C)C2=O)CC[N@H+]1CCOC ZINC001614197492 1073029646 /nfs/dbraw/zinc/02/96/46/1073029646.db2.gz PCUJMDPUKYVYLU-JTSKRJEESA-N 1 1 447.584 0.539 20 0 ICADMO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(C)CN(C)C2=O)CC[N@H+]1CCOC ZINC001614197493 1073029431 /nfs/dbraw/zinc/02/94/31/1073029431.db2.gz PCUJMDPUKYVYLU-VGOFRKELSA-N 1 1 447.584 0.539 20 0 ICADMO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(C)CN(C)C2=O)CC[N@H+]1CCOC ZINC001614197494 1073029473 /nfs/dbraw/zinc/02/94/73/1073029473.db2.gz PCUJMDPUKYVYLU-VGSWGCGISA-N 1 1 447.584 0.539 20 0 ICADMO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCC(=O)N(C)C)CC[N@H+]1CCOC ZINC001614197663 1073029562 /nfs/dbraw/zinc/02/95/62/1073029562.db2.gz VYBPLRZCLYYULT-GOSISDBHSA-N 1 1 449.600 0.930 20 0 ICADMO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCC(=O)N(C)C)CC[N@H+]1CCOC ZINC001614197664 1073029588 /nfs/dbraw/zinc/02/95/88/1073029588.db2.gz VYBPLRZCLYYULT-SFHVURJKSA-N 1 1 449.600 0.930 20 0 ICADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccn(C)n2)C[C@@H]1[NH+]1CCOCC1 ZINC001614197997 1073030053 /nfs/dbraw/zinc/03/00/53/1073030053.db2.gz YAQZMBLVOQDUSG-AEFFLSMTSA-N 1 1 430.557 0.745 20 0 ICADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccn(C)n2)C[C@H]1[NH+]1CCOCC1 ZINC001614197998 1073030093 /nfs/dbraw/zinc/03/00/93/1073030093.db2.gz YAQZMBLVOQDUSG-FUHWJXTLSA-N 1 1 430.557 0.745 20 0 ICADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccn(C)n2)C[C@H]1[NH+]1CCOCC1 ZINC001614197999 1073030010 /nfs/dbraw/zinc/03/00/10/1073030010.db2.gz YAQZMBLVOQDUSG-SJLPKXTDSA-N 1 1 430.557 0.745 20 0 ICADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccn(C)n2)C[C@@H]1[NH+]1CCOCC1 ZINC001614198000 1073030186 /nfs/dbraw/zinc/03/01/86/1073030186.db2.gz YAQZMBLVOQDUSG-WMZOPIPTSA-N 1 1 430.557 0.745 20 0 ICADMO CC[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001614204143 1073030466 /nfs/dbraw/zinc/03/04/66/1073030466.db2.gz QTWPBRSDRGZOCG-CVEARBPZSA-N 1 1 444.602 0.614 20 0 ICADMO CC[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001614204144 1073030450 /nfs/dbraw/zinc/03/04/50/1073030450.db2.gz QTWPBRSDRGZOCG-HOTGVXAUSA-N 1 1 444.602 0.614 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001614204145 1073030573 /nfs/dbraw/zinc/03/05/73/1073030573.db2.gz QTWPBRSDRGZOCG-HZPDHXFCSA-N 1 1 444.602 0.614 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001614204146 1073030619 /nfs/dbraw/zinc/03/06/19/1073030619.db2.gz QTWPBRSDRGZOCG-JKSUJKDBSA-N 1 1 444.602 0.614 20 0 ICADMO CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)N2CCOCC2)CC[N@H+]1CCOC ZINC001614230002 1073031439 /nfs/dbraw/zinc/03/14/39/1073031439.db2.gz FBEBFMYBPAAFHH-AZUAARDMSA-N 1 1 446.600 0.946 20 0 ICADMO CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)N2CCOCC2)CC[N@H+]1CCOC ZINC001614230003 1073031949 /nfs/dbraw/zinc/03/19/49/1073031949.db2.gz FBEBFMYBPAAFHH-ICSRJNTNSA-N 1 1 446.600 0.946 20 0 ICADMO CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N2CCOCC2)CC[N@H+]1CCOC ZINC001614230004 1073031898 /nfs/dbraw/zinc/03/18/98/1073031898.db2.gz FBEBFMYBPAAFHH-QUCCMNQESA-N 1 1 446.600 0.946 20 0 ICADMO CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N2CCOCC2)CC[N@H+]1CCOC ZINC001614230005 1073031597 /nfs/dbraw/zinc/03/15/97/1073031597.db2.gz FBEBFMYBPAAFHH-UYAOXDASSA-N 1 1 446.600 0.946 20 0 ICADMO CC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)NC)C[C@H]1[NH+]1CCOCC1 ZINC001614230242 1073032010 /nfs/dbraw/zinc/03/20/10/1073032010.db2.gz JBTZGZHTRJKWLI-DOTOQJQBSA-N 1 1 437.570 0.369 20 0 ICADMO CC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)NC)C[C@H]1[NH+]1CCOCC1 ZINC001614230243 1073031472 /nfs/dbraw/zinc/03/14/72/1073031472.db2.gz JBTZGZHTRJKWLI-NVXWUHKLSA-N 1 1 437.570 0.369 20 0 ICADMO CC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)NC)C[C@@H]1[NH+]1CCOCC1 ZINC001614230244 1073031491 /nfs/dbraw/zinc/03/14/91/1073031491.db2.gz JBTZGZHTRJKWLI-RDJZCZTQSA-N 1 1 437.570 0.369 20 0 ICADMO CC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)NC)C[C@@H]1[NH+]1CCOCC1 ZINC001614230245 1073031806 /nfs/dbraw/zinc/03/18/06/1073031806.db2.gz JBTZGZHTRJKWLI-WBVHZDCISA-N 1 1 437.570 0.369 20 0 ICADMO CC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)N(C)C)CC[N@H+]1CCOC ZINC001614230446 1073031355 /nfs/dbraw/zinc/03/13/55/1073031355.db2.gz MRFFVPXVDMEGHI-INIZCTEOSA-N 1 1 439.586 0.712 20 0 ICADMO CC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)N(C)C)CC[N@H+]1CCOC ZINC001614230447 1073031742 /nfs/dbraw/zinc/03/17/42/1073031742.db2.gz MRFFVPXVDMEGHI-MRXNPFEDSA-N 1 1 439.586 0.712 20 0 ICADMO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCN1CCOC ZINC001614230644 1073031718 /nfs/dbraw/zinc/03/17/18/1073031718.db2.gz PCJVYPPLMBITBH-DYESRHJHSA-N 1 1 430.557 0.349 20 0 ICADMO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[N@H+](C)C2)CCN1CCOC ZINC001614230644 1073031705 /nfs/dbraw/zinc/03/17/05/1073031705.db2.gz PCJVYPPLMBITBH-DYESRHJHSA-N 1 1 430.557 0.349 20 0 ICADMO CC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCN1CCOC ZINC001614230645 1073031419 /nfs/dbraw/zinc/03/14/19/1073031419.db2.gz PCJVYPPLMBITBH-LAUBAEHRSA-N 1 1 430.557 0.349 20 0 ICADMO CC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[N@H+](C)C2)CCN1CCOC ZINC001614230645 1073031418 /nfs/dbraw/zinc/03/14/18/1073031418.db2.gz PCJVYPPLMBITBH-LAUBAEHRSA-N 1 1 430.557 0.349 20 0 ICADMO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[N@@H+](C)C2)CCN1CCOC ZINC001614230646 1073031554 /nfs/dbraw/zinc/03/15/54/1073031554.db2.gz PCJVYPPLMBITBH-UTKZUKDTSA-N 1 1 430.557 0.349 20 0 ICADMO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[N@H+](C)C2)CCN1CCOC ZINC001614230646 1073031540 /nfs/dbraw/zinc/03/15/40/1073031540.db2.gz PCJVYPPLMBITBH-UTKZUKDTSA-N 1 1 430.557 0.349 20 0 ICADMO CC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[N@@H+](C)C2)CCN1CCOC ZINC001614230647 1073031877 /nfs/dbraw/zinc/03/18/77/1073031877.db2.gz PCJVYPPLMBITBH-UWJYYQICSA-N 1 1 430.557 0.349 20 0 ICADMO CC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[N@H+](C)C2)CCN1CCOC ZINC001614230647 1073031865 /nfs/dbraw/zinc/03/18/65/1073031865.db2.gz PCJVYPPLMBITBH-UWJYYQICSA-N 1 1 430.557 0.349 20 0 ICADMO CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H](C)O1 ZINC001614230954 1073031378 /nfs/dbraw/zinc/03/13/78/1073031378.db2.gz UQWHYVARTWDCPQ-APWZRJJASA-N 1 1 430.557 0.846 20 0 ICADMO CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H](C)O1 ZINC001614230955 1073031785 /nfs/dbraw/zinc/03/17/85/1073031785.db2.gz UQWHYVARTWDCPQ-LPHOPBHVSA-N 1 1 430.557 0.846 20 0 ICADMO CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H](C)O1 ZINC001614230956 1073031995 /nfs/dbraw/zinc/03/19/95/1073031995.db2.gz UQWHYVARTWDCPQ-QFBILLFUSA-N 1 1 430.557 0.846 20 0 ICADMO CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H](C)O1 ZINC001614230957 1073032252 /nfs/dbraw/zinc/03/22/52/1073032252.db2.gz UQWHYVARTWDCPQ-VQIMIIECSA-N 1 1 430.557 0.846 20 0 ICADMO CC[C@H]1CN(c2nnc(C3CC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC[N@H+]1CCOC ZINC001614233743 1073032771 /nfs/dbraw/zinc/03/27/71/1073032771.db2.gz SPGPXXSWBKBLTN-AEFFLSMTSA-N 1 1 440.614 0.984 20 0 ICADMO CC[C@@H]1CN(c2nnc(C3CC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC[N@H+]1CCOC ZINC001614233744 1073032667 /nfs/dbraw/zinc/03/26/67/1073032667.db2.gz SPGPXXSWBKBLTN-FUHWJXTLSA-N 1 1 440.614 0.984 20 0 ICADMO CC[C@@H]1CN(c2nnc(C3CC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC[N@H+]1CCOC ZINC001614233745 1073032462 /nfs/dbraw/zinc/03/24/62/1073032462.db2.gz SPGPXXSWBKBLTN-SJLPKXTDSA-N 1 1 440.614 0.984 20 0 ICADMO CC[C@H]1CN(c2nnc(C3CC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC[N@H+]1CCOC ZINC001614233746 1073032338 /nfs/dbraw/zinc/03/23/38/1073032338.db2.gz SPGPXXSWBKBLTN-WMZOPIPTSA-N 1 1 440.614 0.984 20 0 ICADMO CC[C@H]1CN(c2nnc(-c3noc4c3COCC4)n2CC(=O)N(C)C)CC[N@H+]1CCOC ZINC001614233973 1073032743 /nfs/dbraw/zinc/03/27/43/1073032743.db2.gz WMNGWYAUNQDHKR-HNNXBMFYSA-N 1 1 447.540 0.641 20 0 ICADMO CC[C@@H]1CN(c2nnc(-c3noc4c3COCC4)n2CC(=O)N(C)C)CC[N@H+]1CCOC ZINC001614233974 1073032718 /nfs/dbraw/zinc/03/27/18/1073032718.db2.gz WMNGWYAUNQDHKR-OAHLLOKOSA-N 1 1 447.540 0.641 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCOC[C@H]2C)CC[N@H+]1CCOC ZINC001614235161 1073032384 /nfs/dbraw/zinc/03/23/84/1073032384.db2.gz IQFJKYMEUCFRDL-GUDVDZBRSA-N 1 1 449.600 0.497 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCOC[C@@H]2C)CC[N@H+]1CCOC ZINC001614235162 1073032271 /nfs/dbraw/zinc/03/22/71/1073032271.db2.gz IQFJKYMEUCFRDL-IPMKNSEASA-N 1 1 449.600 0.497 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCOC[C@@H]2C)CC[N@H+]1CCOC ZINC001614235163 1073032517 /nfs/dbraw/zinc/03/25/17/1073032517.db2.gz IQFJKYMEUCFRDL-OTWHNJEPSA-N 1 1 449.600 0.497 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCOC[C@H]2C)CC[N@H+]1CCOC ZINC001614235164 1073032594 /nfs/dbraw/zinc/03/25/94/1073032594.db2.gz IQFJKYMEUCFRDL-QRVBRYPASA-N 1 1 449.600 0.497 20 0 ICADMO CC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCC(F)F)CC[N@H+]1CCOC ZINC001614235179 1073032694 /nfs/dbraw/zinc/03/26/94/1073032694.db2.gz IWWTXKUDWBZLHA-KBPBESRZSA-N 1 1 443.499 0.158 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCC(F)F)CC[N@H+]1CCOC ZINC001614235180 1073032984 /nfs/dbraw/zinc/03/29/84/1073032984.db2.gz IWWTXKUDWBZLHA-KGLIPLIRSA-N 1 1 443.499 0.158 20 0 ICADMO CC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC(F)F)CC[N@H+]1CCOC ZINC001614235181 1073033311 /nfs/dbraw/zinc/03/33/11/1073033311.db2.gz IWWTXKUDWBZLHA-UONOGXRCSA-N 1 1 443.499 0.158 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC(F)F)CC[N@H+]1CCOC ZINC001614235182 1073033369 /nfs/dbraw/zinc/03/33/69/1073033369.db2.gz IWWTXKUDWBZLHA-ZIAGYGMSSA-N 1 1 443.499 0.158 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCCOC)C[C@H]1[NH+]1CCOCC1 ZINC001614235583 1073033289 /nfs/dbraw/zinc/03/32/89/1073033289.db2.gz OINWDEZBZSSLQE-FGTMMUONSA-N 1 1 436.557 0.439 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCOCCOC)C[C@@H]1[NH+]1CCOCC1 ZINC001614235584 1073033238 /nfs/dbraw/zinc/03/32/38/1073033238.db2.gz OINWDEZBZSSLQE-KURKYZTESA-N 1 1 436.557 0.439 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCOCCOC)C[C@H]1[NH+]1CCOCC1 ZINC001614235585 1073033111 /nfs/dbraw/zinc/03/31/11/1073033111.db2.gz OINWDEZBZSSLQE-KZNAEPCWSA-N 1 1 436.557 0.439 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCCOC)C[C@@H]1[NH+]1CCOCC1 ZINC001614235586 1073033185 /nfs/dbraw/zinc/03/31/85/1073033185.db2.gz OINWDEZBZSSLQE-SQNIBIBYSA-N 1 1 436.557 0.439 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H]2COCCO2)CC[N@H+]1CCOC ZINC001614235887 1073033139 /nfs/dbraw/zinc/03/31/39/1073033139.db2.gz RTUURRZCTDMTRU-FGTMMUONSA-N 1 1 436.557 0.582 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H]2COCCO2)CC[N@H+]1CCOC ZINC001614235888 1073033263 /nfs/dbraw/zinc/03/32/63/1073033263.db2.gz RTUURRZCTDMTRU-KURKYZTESA-N 1 1 436.557 0.582 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H]2COCCO2)CC[N@H+]1CCOC ZINC001614235889 1073033028 /nfs/dbraw/zinc/03/30/28/1073033028.db2.gz RTUURRZCTDMTRU-KZNAEPCWSA-N 1 1 436.557 0.582 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H]2COCCO2)CC[N@H+]1CCOC ZINC001614235890 1073033003 /nfs/dbraw/zinc/03/30/03/1073033003.db2.gz RTUURRZCTDMTRU-SQNIBIBYSA-N 1 1 436.557 0.582 20 0 ICADMO CC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCC(=O)N(C)C)CC[N@H+]1CCOC ZINC001614235989 1073033046 /nfs/dbraw/zinc/03/30/46/1073033046.db2.gz UELAKWZEMPHEBM-DLBZAZTESA-N 1 1 435.573 0.645 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCC(=O)N(C)C)CC[N@H+]1CCOC ZINC001614235990 1073033095 /nfs/dbraw/zinc/03/30/95/1073033095.db2.gz UELAKWZEMPHEBM-IAGOWNOFSA-N 1 1 435.573 0.645 20 0 ICADMO CC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC(=O)N(C)C)CC[N@H+]1CCOC ZINC001614235991 1073033203 /nfs/dbraw/zinc/03/32/03/1073033203.db2.gz UELAKWZEMPHEBM-IRXDYDNUSA-N 1 1 435.573 0.645 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC(=O)N(C)C)CC[N@H+]1CCOC ZINC001614235992 1073033334 /nfs/dbraw/zinc/03/33/34/1073033334.db2.gz UELAKWZEMPHEBM-SJORKVTESA-N 1 1 435.573 0.645 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(C)COCCO2)CC[N@H+]1CCOC ZINC001614236069 1073033074 /nfs/dbraw/zinc/03/30/74/1073033074.db2.gz VIISSTZUXRPOFY-CBGDNZLLSA-N 1 1 436.557 0.582 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(C)COCCO2)CC[N@H+]1CCOC ZINC001614236070 1073033948 /nfs/dbraw/zinc/03/39/48/1073033948.db2.gz VIISSTZUXRPOFY-LLGFUMIMSA-N 1 1 436.557 0.582 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(C)COCCO2)CC[N@H+]1CCOC ZINC001614236071 1073033819 /nfs/dbraw/zinc/03/38/19/1073033819.db2.gz VIISSTZUXRPOFY-LZJOCLMNSA-N 1 1 436.557 0.582 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(C)COCCO2)CC[N@H+]1CCOC ZINC001614236072 1073033637 /nfs/dbraw/zinc/03/36/37/1073033637.db2.gz VIISSTZUXRPOFY-WWMYMODYSA-N 1 1 436.557 0.582 20 0 ICADMO CC[C@H]1CN(c2nnc(C3CC3)n2CCN2CCN(C(C)=O)CC2)CC[N@H+]1CCOC ZINC001614236403 1073033712 /nfs/dbraw/zinc/03/37/12/1073033712.db2.gz YGHFPYPLSQSFHN-FQEVSTJZSA-N 1 1 433.601 0.867 20 0 ICADMO CC[C@@H]1CN(c2nnc(C3CC3)n2CCN2CCN(C(C)=O)CC2)CC[N@H+]1CCOC ZINC001614236407 1073033671 /nfs/dbraw/zinc/03/36/71/1073033671.db2.gz YGHFPYPLSQSFHN-HXUWFJFHSA-N 1 1 433.601 0.867 20 0 ICADMO CC[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CC(=O)NCC(F)F)CC[N@H+]1CCOC ZINC001614241605 1073034016 /nfs/dbraw/zinc/03/40/16/1073034016.db2.gz KGRGMKADYSJXSY-CABCVRRESA-N 1 1 430.500 0.710 20 0 ICADMO CC[C@H]1CN(c2nnc([C@H]3CCOC3)n2CC(=O)NCC(F)F)CC[N@H+]1CCOC ZINC001614241606 1073033890 /nfs/dbraw/zinc/03/38/90/1073033890.db2.gz KGRGMKADYSJXSY-GJZGRUSLSA-N 1 1 430.500 0.710 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC(=O)NCC(F)F)CC[N@H+]1CCOC ZINC001614241607 1073033598 /nfs/dbraw/zinc/03/35/98/1073033598.db2.gz KGRGMKADYSJXSY-HUUCEWRRSA-N 1 1 430.500 0.710 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CC(=O)NCC(F)F)CC[N@H+]1CCOC ZINC001614241608 1073033996 /nfs/dbraw/zinc/03/39/96/1073033996.db2.gz KGRGMKADYSJXSY-LSDHHAIUSA-N 1 1 430.500 0.710 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)CCS1 ZINC001614243699 1073034692 /nfs/dbraw/zinc/03/46/92/1073034692.db2.gz MPUPJPCVOSOKLY-DAYGRLMNSA-N 1 1 429.612 0.579 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)CCS1 ZINC001614243699 1073034680 /nfs/dbraw/zinc/03/46/80/1073034680.db2.gz MPUPJPCVOSOKLY-DAYGRLMNSA-N 1 1 429.612 0.579 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCS1 ZINC001614243700 1073034646 /nfs/dbraw/zinc/03/46/46/1073034646.db2.gz MPUPJPCVOSOKLY-HDMKZQKVSA-N 1 1 429.612 0.579 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)CCS1 ZINC001614243700 1073034635 /nfs/dbraw/zinc/03/46/35/1073034635.db2.gz MPUPJPCVOSOKLY-HDMKZQKVSA-N 1 1 429.612 0.579 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCS1 ZINC001614243701 1073034802 /nfs/dbraw/zinc/03/48/02/1073034802.db2.gz MPUPJPCVOSOKLY-IIDMSEBBSA-N 1 1 429.612 0.579 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)CCS1 ZINC001614243701 1073034797 /nfs/dbraw/zinc/03/47/97/1073034797.db2.gz MPUPJPCVOSOKLY-IIDMSEBBSA-N 1 1 429.612 0.579 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)CCS1 ZINC001614243702 1073034842 /nfs/dbraw/zinc/03/48/42/1073034842.db2.gz MPUPJPCVOSOKLY-RKVPGOIHSA-N 1 1 429.612 0.579 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)CCS1 ZINC001614243702 1073034837 /nfs/dbraw/zinc/03/48/37/1073034837.db2.gz MPUPJPCVOSOKLY-RKVPGOIHSA-N 1 1 429.612 0.579 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)CCCOC)CCO1 ZINC001614244333 1073035135 /nfs/dbraw/zinc/03/51/35/1073035135.db2.gz VCSHOZNJQIZDHG-DLBZAZTESA-N 1 1 429.587 0.764 20 0 ICADMO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)CCCOC)CCO1 ZINC001614244334 1073035073 /nfs/dbraw/zinc/03/50/73/1073035073.db2.gz VCSHOZNJQIZDHG-IAGOWNOFSA-N 1 1 429.587 0.764 20 0 ICADMO CC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)CCCOC)CCO1 ZINC001614244335 1073035313 /nfs/dbraw/zinc/03/53/13/1073035313.db2.gz VCSHOZNJQIZDHG-IRXDYDNUSA-N 1 1 429.587 0.764 20 0 ICADMO CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)CCCOC)CCO1 ZINC001614244336 1073035260 /nfs/dbraw/zinc/03/52/60/1073035260.db2.gz VCSHOZNJQIZDHG-SJORKVTESA-N 1 1 429.587 0.764 20 0 ICADMO CC[C@@H]1CN(c2nnc(CC(C)C)n2CC(=O)N2CCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC001614247749 1073035191 /nfs/dbraw/zinc/03/51/91/1073035191.db2.gz YQZADKMFMJSGPD-MOPGFXCFSA-N 1 1 434.585 0.882 20 0 ICADMO CC[C@H]1CN(c2nnc(CC(C)C)n2CC(=O)N2CCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC001614247750 1073035167 /nfs/dbraw/zinc/03/51/67/1073035167.db2.gz YQZADKMFMJSGPD-OALUTQOASA-N 1 1 434.585 0.882 20 0 ICADMO CC[C@H]1CN(c2nnc(CC(C)C)n2CC(=O)N2CCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC001614247751 1073035024 /nfs/dbraw/zinc/03/50/24/1073035024.db2.gz YQZADKMFMJSGPD-RBUKOAKNSA-N 1 1 434.585 0.882 20 0 ICADMO CC[C@@H]1CN(c2nnc(CC(C)C)n2CC(=O)N2CCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC001614247752 1073035118 /nfs/dbraw/zinc/03/51/18/1073035118.db2.gz YQZADKMFMJSGPD-RTBURBONSA-N 1 1 434.585 0.882 20 0 ICADMO CC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC(=O)NC(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001614258026 1073035600 /nfs/dbraw/zinc/03/56/00/1073035600.db2.gz VHDXISFMZUHJMD-MSOLQXFVSA-N 1 1 447.584 0.472 20 0 ICADMO CC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC(=O)NC(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001614258027 1073035733 /nfs/dbraw/zinc/03/57/33/1073035733.db2.gz VHDXISFMZUHJMD-QZTJIDSGSA-N 1 1 447.584 0.472 20 0 ICADMO CC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC(=O)NC(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001614258028 1073035532 /nfs/dbraw/zinc/03/55/32/1073035532.db2.gz VHDXISFMZUHJMD-ROUUACIJSA-N 1 1 447.584 0.472 20 0 ICADMO CC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC(=O)NC(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001614258029 1073035629 /nfs/dbraw/zinc/03/56/29/1073035629.db2.gz VHDXISFMZUHJMD-ZWKOTPCHSA-N 1 1 447.584 0.472 20 0 ICADMO CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)N(C)C)CC[N@H+]1CCOC ZINC001614259498 1073035547 /nfs/dbraw/zinc/03/55/47/1073035547.db2.gz UXKJNHTYVYXHJH-GOSISDBHSA-N 1 1 432.573 0.775 20 0 ICADMO CC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)N(C)C)CC[N@H+]1CCOC ZINC001614259499 1073035670 /nfs/dbraw/zinc/03/56/70/1073035670.db2.gz UXKJNHTYVYXHJH-SFHVURJKSA-N 1 1 432.573 0.775 20 0 ICADMO CC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC(=O)N2)CC[N@H+]1CCOC ZINC001614259548 1073035643 /nfs/dbraw/zinc/03/56/43/1073035643.db2.gz WEIYRDCNFZHTDM-MOPGFXCFSA-N 1 1 444.584 0.965 20 0 ICADMO CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC(=O)N2)CC[N@H+]1CCOC ZINC001614259549 1073035538 /nfs/dbraw/zinc/03/55/38/1073035538.db2.gz WEIYRDCNFZHTDM-RTBURBONSA-N 1 1 444.584 0.965 20 0 ICADMO 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CCCC[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001614498369 1073044802 /nfs/dbraw/zinc/04/48/02/1073044802.db2.gz NKGGGKDWDFVPPJ-HOTGVXAUSA-N 1 1 443.618 0.677 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001614498370 1073044818 /nfs/dbraw/zinc/04/48/18/1073044818.db2.gz NKGGGKDWDFVPPJ-HZPDHXFCSA-N 1 1 443.618 0.677 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001614498371 1073044909 /nfs/dbraw/zinc/04/49/09/1073044909.db2.gz NKGGGKDWDFVPPJ-JKSUJKDBSA-N 1 1 443.618 0.677 20 0 ICADMO CCCC[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001614499263 1073045434 /nfs/dbraw/zinc/04/54/34/1073045434.db2.gz NOXQWAGIEZNBJA-INIZCTEOSA-N 1 1 429.525 0.725 20 0 ICADMO CCCC[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001614499264 1073045418 /nfs/dbraw/zinc/04/54/18/1073045418.db2.gz NOXQWAGIEZNBJA-MRXNPFEDSA-N 1 1 429.525 0.725 20 0 ICADMO CCCC[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001614501186 1073045498 /nfs/dbraw/zinc/04/54/98/1073045498.db2.gz XCURTAZEQJQFPU-INIZCTEOSA-N 1 1 438.602 0.881 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001614501404 1073045577 /nfs/dbraw/zinc/04/55/77/1073045577.db2.gz DENZSEOKXGOWPN-KRWDZBQOSA-N 1 1 443.556 0.548 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001614501405 1073045369 /nfs/dbraw/zinc/04/53/69/1073045369.db2.gz DENZSEOKXGOWPN-QGZVFWFLSA-N 1 1 443.556 0.548 20 0 ICADMO CCCC[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC001614501959 1073045549 /nfs/dbraw/zinc/04/55/49/1073045549.db2.gz UDRAPGGOKCIFTM-KRWDZBQOSA-N 1 1 441.540 0.940 20 0 ICADMO CCCC[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 ZINC001614501960 1073045318 /nfs/dbraw/zinc/04/53/18/1073045318.db2.gz UDRAPGGOKCIFTM-QGZVFWFLSA-N 1 1 441.540 0.940 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001614502380 1073045217 /nfs/dbraw/zinc/04/52/17/1073045217.db2.gz FWKLCVHZNIYKPZ-FXAWDEMLSA-N 1 1 441.598 0.908 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001614502381 1073045473 /nfs/dbraw/zinc/04/54/73/1073045473.db2.gz FWKLCVHZNIYKPZ-PXNSSMCTSA-N 1 1 441.598 0.908 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001614502382 1073045523 /nfs/dbraw/zinc/04/55/23/1073045523.db2.gz FWKLCVHZNIYKPZ-XLIONFOSSA-N 1 1 441.598 0.908 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001614502383 1073045334 /nfs/dbraw/zinc/04/53/34/1073045334.db2.gz FWKLCVHZNIYKPZ-YLJYHZDGSA-N 1 1 441.598 0.908 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 ZINC001614502475 1073045384 /nfs/dbraw/zinc/04/53/84/1073045384.db2.gz IBXFSUZFIBRLOE-INIZCTEOSA-N 1 1 442.586 0.801 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 ZINC001614502476 1073045259 /nfs/dbraw/zinc/04/52/59/1073045259.db2.gz IBXFSUZFIBRLOE-MRXNPFEDSA-N 1 1 442.586 0.801 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001614503037 1073045405 /nfs/dbraw/zinc/04/54/05/1073045405.db2.gz SSBUMTSMSVMGRN-KRWDZBQOSA-N 1 1 447.584 0.441 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001614503038 1073045357 /nfs/dbraw/zinc/04/53/57/1073045357.db2.gz SSBUMTSMSVMGRN-QGZVFWFLSA-N 1 1 447.584 0.441 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001614503196 1073045449 /nfs/dbraw/zinc/04/54/49/1073045449.db2.gz VMJVIEWZDOFVMV-CVEARBPZSA-N 1 1 426.587 0.579 20 0 ICADMO CCCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001614503197 1073045869 /nfs/dbraw/zinc/04/58/69/1073045869.db2.gz VMJVIEWZDOFVMV-HOTGVXAUSA-N 1 1 426.587 0.579 20 0 ICADMO 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CCC[N@H+]1CC[C@H](Cn2c(-c3cnccn3)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001614831983 1073055643 /nfs/dbraw/zinc/05/56/43/1073055643.db2.gz YDLZAVVLTFRIQJ-KRWDZBQOSA-N 1 1 428.541 0.762 20 0 ICADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cnccn3)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001614831984 1073055623 /nfs/dbraw/zinc/05/56/23/1073055623.db2.gz YDLZAVVLTFRIQJ-QGZVFWFLSA-N 1 1 428.541 0.762 20 0 ICADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCOC)C1 ZINC001614833122 1073055836 /nfs/dbraw/zinc/05/58/36/1073055836.db2.gz SDESOTLBEDQYJS-DLBZAZTESA-N 1 1 444.602 0.426 20 0 ICADMO CCC[N@H+]1CC[C@@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCOC)C1 ZINC001614833123 1073055578 /nfs/dbraw/zinc/05/55/78/1073055578.db2.gz SDESOTLBEDQYJS-IAGOWNOFSA-N 1 1 444.602 0.426 20 0 ICADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCOC)C1 ZINC001614833124 1073055598 /nfs/dbraw/zinc/05/55/98/1073055598.db2.gz SDESOTLBEDQYJS-IRXDYDNUSA-N 1 1 444.602 0.426 20 0 ICADMO CCC[N@H+]1CC[C@@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCOC)C1 ZINC001614833125 1073055681 /nfs/dbraw/zinc/05/56/81/1073055681.db2.gz SDESOTLBEDQYJS-SJORKVTESA-N 1 1 444.602 0.426 20 0 ICADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001614833313 1073055701 /nfs/dbraw/zinc/05/57/01/1073055701.db2.gz WQCFGQWQQACEPG-IKGGRYGDSA-N 1 1 438.598 0.579 20 0 ICADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001614833314 1073055761 /nfs/dbraw/zinc/05/57/61/1073055761.db2.gz WQCFGQWQQACEPG-IXDOHACOSA-N 1 1 438.598 0.579 20 0 ICADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001614833315 1073055554 /nfs/dbraw/zinc/05/55/54/1073055554.db2.gz WQCFGQWQQACEPG-ULQDDVLXSA-N 1 1 438.598 0.579 20 0 ICADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001614833316 1073055507 /nfs/dbraw/zinc/05/55/07/1073055507.db2.gz WQCFGQWQQACEPG-YESZJQIVSA-N 1 1 438.598 0.579 20 0 ICADMO CCC[N@H+]1CC[C@@H](Cn2c(CC(C)C)nnc2N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001614833966 1073055543 /nfs/dbraw/zinc/05/55/43/1073055543.db2.gz BZCCBXCOZQHLMS-GOSISDBHSA-N 1 1 444.588 0.544 20 0 ICADMO CCC[N@H+]1CC[C@H](Cn2c(CC(C)C)nnc2N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001614833967 1073055635 /nfs/dbraw/zinc/05/56/35/1073055635.db2.gz BZCCBXCOZQHLMS-SFHVURJKSA-N 1 1 444.588 0.544 20 0 ICADMO CCC[N@H+]1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N(C)CCN2CCOCC2)C1 ZINC001614837945 1073055655 /nfs/dbraw/zinc/05/56/55/1073055655.db2.gz SVFQICBQZXHOBU-IBGZPJMESA-N 1 1 433.601 0.901 20 0 ICADMO CCC[N@H+]1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N(C)CCN2CCOCC2)C1 ZINC001614837946 1073055790 /nfs/dbraw/zinc/05/57/90/1073055790.db2.gz SVFQICBQZXHOBU-LJQANCHMSA-N 1 1 433.601 0.901 20 0 ICADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001614843242 1073055735 /nfs/dbraw/zinc/05/57/35/1073055735.db2.gz BBMIOYNHNJGAMK-BZSNNMDCSA-N 1 1 441.598 0.969 20 0 ICADMO CCC[N@H+]1CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001614843244 1073056079 /nfs/dbraw/zinc/05/60/79/1073056079.db2.gz BBMIOYNHNJGAMK-SQNIBIBYSA-N 1 1 441.598 0.969 20 0 ICADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001614855973 1073056657 /nfs/dbraw/zinc/05/66/57/1073056657.db2.gz ACJGKGACHILVBG-DLBZAZTESA-N 1 1 435.573 0.632 20 0 ICADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001614855974 1073056645 /nfs/dbraw/zinc/05/66/45/1073056645.db2.gz ACJGKGACHILVBG-IAGOWNOFSA-N 1 1 435.573 0.632 20 0 ICADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001614855975 1073056427 /nfs/dbraw/zinc/05/64/27/1073056427.db2.gz ACJGKGACHILVBG-IRXDYDNUSA-N 1 1 435.573 0.632 20 0 ICADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001614855976 1073056582 /nfs/dbraw/zinc/05/65/82/1073056582.db2.gz ACJGKGACHILVBG-SJORKVTESA-N 1 1 435.573 0.632 20 0 ICADMO CCC[N@H+]1CCCC[C@H]1Cn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1C(C)(C)C ZINC001614868285 1073056538 /nfs/dbraw/zinc/05/65/38/1073056538.db2.gz DRXIAHNGWGDAEO-DLBZAZTESA-N 1 1 431.585 0.987 20 0 ICADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1C(C)(C)C ZINC001614868287 1073057097 /nfs/dbraw/zinc/05/70/97/1073057097.db2.gz DRXIAHNGWGDAEO-IAGOWNOFSA-N 1 1 431.585 0.987 20 0 ICADMO CCC[N@H+]1CCCC[C@H]1Cn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1C(C)(C)C ZINC001614868288 1073057024 /nfs/dbraw/zinc/05/70/24/1073057024.db2.gz DRXIAHNGWGDAEO-IRXDYDNUSA-N 1 1 431.585 0.987 20 0 ICADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1C(C)(C)C ZINC001614868289 1073057151 /nfs/dbraw/zinc/05/71/51/1073057151.db2.gz DRXIAHNGWGDAEO-SJORKVTESA-N 1 1 431.585 0.987 20 0 ICADMO CCCN1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC(C)(C)C2)CC1=O ZINC001614879625 1073058272 /nfs/dbraw/zinc/05/82/72/1073058272.db2.gz ZFJYIQZIHJBXIF-KRWDZBQOSA-N 1 1 447.584 0.789 20 0 ICADMO CCCN1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1=O ZINC001614879625 1073058260 /nfs/dbraw/zinc/05/82/60/1073058260.db2.gz ZFJYIQZIHJBXIF-KRWDZBQOSA-N 1 1 447.584 0.789 20 0 ICADMO CCCN1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC(C)(C)C2)CC1=O ZINC001614879626 1073058362 /nfs/dbraw/zinc/05/83/62/1073058362.db2.gz ZFJYIQZIHJBXIF-QGZVFWFLSA-N 1 1 447.584 0.789 20 0 ICADMO CCCN1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1=O ZINC001614879626 1073058349 /nfs/dbraw/zinc/05/83/49/1073058349.db2.gz ZFJYIQZIHJBXIF-QGZVFWFLSA-N 1 1 447.584 0.789 20 0 ICADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)C(=O)C1 ZINC001614883863 1073058850 /nfs/dbraw/zinc/05/88/50/1073058850.db2.gz GKERTMGJZMBXIY-SFHVURJKSA-N 1 1 447.584 0.684 20 0 ICADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001614885855 1073058785 /nfs/dbraw/zinc/05/87/85/1073058785.db2.gz PAPWIYQQDKMTAM-JYJNAYRXSA-N 1 1 441.602 0.464 20 0 ICADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001614885856 1073058865 /nfs/dbraw/zinc/05/88/65/1073058865.db2.gz PAPWIYQQDKMTAM-OAGGEKHMSA-N 1 1 441.602 0.464 20 0 ICADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001614885857 1073058975 /nfs/dbraw/zinc/05/89/75/1073058975.db2.gz PAPWIYQQDKMTAM-PMPSAXMXSA-N 1 1 441.602 0.464 20 0 ICADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001614885858 1073058830 /nfs/dbraw/zinc/05/88/30/1073058830.db2.gz PAPWIYQQDKMTAM-XHSDSOJGSA-N 1 1 441.602 0.464 20 0 ICADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cnccn2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001614889145 1073059537 /nfs/dbraw/zinc/05/95/37/1073059537.db2.gz WQUXHOKPNBEDQZ-SOLBZPMBSA-N 1 1 429.525 0.970 20 0 ICADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001614889243 1073059385 /nfs/dbraw/zinc/05/93/85/1073059385.db2.gz ZFGRHFIPIOAPDF-IBGZPJMESA-N 1 1 443.600 0.763 20 0 ICADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)CCS(C)(=O)=O ZINC001614889282 1073059419 /nfs/dbraw/zinc/05/94/19/1073059419.db2.gz ARSAJUCAFLZFFT-HOTGVXAUSA-N 1 1 426.587 0.975 20 0 ICADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)CCS(C)(=O)=O ZINC001614889283 1073059520 /nfs/dbraw/zinc/05/95/20/1073059520.db2.gz ARSAJUCAFLZFFT-JKSUJKDBSA-N 1 1 426.587 0.975 20 0 ICADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001614889418 1073059474 /nfs/dbraw/zinc/05/94/74/1073059474.db2.gz CZPYAKHDZBYIBT-ROUUACIJSA-N 1 1 446.600 0.314 20 0 ICADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001614889419 1073059366 /nfs/dbraw/zinc/05/93/66/1073059366.db2.gz CZPYAKHDZBYIBT-ZWKOTPCHSA-N 1 1 446.600 0.314 20 0 ICADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001614890283 1073059393 /nfs/dbraw/zinc/05/93/93/1073059393.db2.gz LRZJFZBAPPPMFB-IKGGRYGDSA-N 1 1 438.598 0.756 20 0 ICADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001614890284 1073059432 /nfs/dbraw/zinc/05/94/32/1073059432.db2.gz LRZJFZBAPPPMFB-ZACQAIPSSA-N 1 1 438.598 0.756 20 0 ICADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)CC1 ZINC001614890632 1073059504 /nfs/dbraw/zinc/05/95/04/1073059504.db2.gz OWTXJPVMCYRBJG-MSOLQXFVSA-N 1 1 438.598 0.723 20 0 ICADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)CC1 ZINC001614890633 1073059407 /nfs/dbraw/zinc/05/94/07/1073059407.db2.gz OWTXJPVMCYRBJG-ROUUACIJSA-N 1 1 438.598 0.723 20 0 ICADMO CCC[N@H+]1CCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001614893759 1073059349 /nfs/dbraw/zinc/05/93/49/1073059349.db2.gz ABCXUMSIWDMTQU-DLBZAZTESA-N 1 1 438.598 0.898 20 0 ICADMO CCC[N@H+]1CCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001614893760 1073059454 /nfs/dbraw/zinc/05/94/54/1073059454.db2.gz ABCXUMSIWDMTQU-IRXDYDNUSA-N 1 1 438.598 0.898 20 0 ICADMO 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CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C)nn2C)C[C@@H]1C ZINC001615753903 1073116344 /nfs/dbraw/zinc/11/63/44/1073116344.db2.gz NASXDCSVRHBMSF-JYJNAYRXSA-N 1 1 438.602 0.897 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(C)nn2C)C[C@H]1C ZINC001615753904 1073116311 /nfs/dbraw/zinc/11/63/11/1073116311.db2.gz NASXDCSVRHBMSF-OWCLPIDISA-N 1 1 438.602 0.897 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C)nn2C)C[C@H]1C ZINC001615753905 1073116186 /nfs/dbraw/zinc/11/61/86/1073116186.db2.gz NASXDCSVRHBMSF-PMPSAXMXSA-N 1 1 438.602 0.897 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCOC2)C[C@H]1C ZINC001615755836 1073116867 /nfs/dbraw/zinc/11/68/67/1073116867.db2.gz RCBNPLRGRVIANO-VWKPWSFCSA-N 1 1 429.525 0.996 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCOC2)C[C@H]1C ZINC001615755837 1073117029 /nfs/dbraw/zinc/11/70/29/1073117029.db2.gz RCBNPLRGRVIANO-XFQAVAEZSA-N 1 1 429.525 0.996 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1C ZINC001615767322 1073116913 /nfs/dbraw/zinc/11/69/13/1073116913.db2.gz GKWRRUNJNDRJMI-VSZNYVQBSA-N 1 1 440.614 0.982 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC001615767323 1073116837 /nfs/dbraw/zinc/11/68/37/1073116837.db2.gz GKWRRUNJNDRJMI-WNRNVDISSA-N 1 1 440.614 0.982 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC001615767324 1073116811 /nfs/dbraw/zinc/11/68/11/1073116811.db2.gz GKWRRUNJNDRJMI-XLAORIBOSA-N 1 1 440.614 0.982 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1C ZINC001615767325 1073116957 /nfs/dbraw/zinc/11/69/57/1073116957.db2.gz GKWRRUNJNDRJMI-XMTFNYHQSA-N 1 1 440.614 0.982 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC(=O)N(CCOC)C2)C[C@@H]1C ZINC001615768075 1073117017 /nfs/dbraw/zinc/11/70/17/1073117017.db2.gz LFUDWVCFRPKNAU-FJIDUMEYSA-N 1 1 447.584 0.643 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@H]1C ZINC001615768077 1073116821 /nfs/dbraw/zinc/11/68/21/1073116821.db2.gz LFUDWVCFRPKNAU-OWSLCNJRSA-N 1 1 447.584 0.643 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC(=O)N(CCOC)C2)C[C@H]1C ZINC001615768079 1073116852 /nfs/dbraw/zinc/11/68/52/1073116852.db2.gz LFUDWVCFRPKNAU-XDNAFOTISA-N 1 1 447.584 0.643 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@@H]1C ZINC001615768081 1073116930 /nfs/dbraw/zinc/11/69/30/1073116930.db2.gz LFUDWVCFRPKNAU-XSLAGTTESA-N 1 1 447.584 0.643 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N2CCOCC2)C[C@H]1C ZINC001615769543 1073117640 /nfs/dbraw/zinc/11/76/40/1073117640.db2.gz SZDQUVAMRGCBLV-IKGGRYGDSA-N 1 1 433.557 0.397 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N2CCOCC2)C[C@H]1C ZINC001615769544 1073117696 /nfs/dbraw/zinc/11/76/96/1073117696.db2.gz SZDQUVAMRGCBLV-IXDOHACOSA-N 1 1 433.557 0.397 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N2CCOCC2)C[C@@H]1C ZINC001615769545 1073117770 /nfs/dbraw/zinc/11/77/70/1073117770.db2.gz SZDQUVAMRGCBLV-ULQDDVLXSA-N 1 1 433.557 0.397 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N2CCOCC2)C[C@@H]1C ZINC001615769546 1073117827 /nfs/dbraw/zinc/11/78/27/1073117827.db2.gz SZDQUVAMRGCBLV-YESZJQIVSA-N 1 1 433.557 0.397 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CC2)C[C@@H]1C ZINC001615769604 1073117790 /nfs/dbraw/zinc/11/77/90/1073117790.db2.gz SIFFFQKHFKRENV-HRCADAONSA-N 1 1 442.586 0.055 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CC2)C[C@@H]1C ZINC001615769608 1073117673 /nfs/dbraw/zinc/11/76/73/1073117673.db2.gz SIFFFQKHFKRENV-JYJNAYRXSA-N 1 1 442.586 0.055 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CC2)C[C@H]1C ZINC001615769610 1073117765 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1073118300 /nfs/dbraw/zinc/11/83/00/1073118300.db2.gz LVGBZEPJSDANLO-XHSDSOJGSA-N 1 1 446.556 0.308 20 0 ICADMO CC[N@H+]1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001615778981 1073118475 /nfs/dbraw/zinc/11/84/75/1073118475.db2.gz YQFSDYMQUVUGCR-NCOADZHNSA-N 1 1 444.602 0.470 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001615778982 1073118587 /nfs/dbraw/zinc/11/85/87/1073118587.db2.gz YQFSDYMQUVUGCR-QAETUUGQSA-N 1 1 444.602 0.470 20 0 ICADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001615778983 1073118437 /nfs/dbraw/zinc/11/84/37/1073118437.db2.gz YQFSDYMQUVUGCR-QZWWFDLISA-N 1 1 444.602 0.470 20 0 ICADMO CC[N@H+]1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001615778984 1073118374 /nfs/dbraw/zinc/11/83/74/1073118374.db2.gz YQFSDYMQUVUGCR-YVSFHVDLSA-N 1 1 444.602 0.470 20 0 ICADMO CC[N@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3c(cc[nH]c3=O)C2)C1 ZINC001615785786 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CC[N@H+]1CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[C@@H](C2)C3O)C1 ZINC001615786036 1073119133 /nfs/dbraw/zinc/11/91/33/1073119133.db2.gz JLRZCAXPVHVIJP-VQVIJEGRSA-N 1 1 440.614 0.827 20 0 ICADMO CC[N@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[C@@H](C2)C3O)C1 ZINC001615786037 1073119035 /nfs/dbraw/zinc/11/90/35/1073119035.db2.gz JLRZCAXPVHVIJP-WXCOAYGQSA-N 1 1 440.614 0.827 20 0 ICADMO CC[N@H+]1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001615786301 1073119043 /nfs/dbraw/zinc/11/90/43/1073119043.db2.gz OEFFMCCWKUZSAC-BTYIYWSLSA-N 1 1 426.525 0.969 20 0 ICADMO CC[N@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001615786302 1073119094 /nfs/dbraw/zinc/11/90/94/1073119094.db2.gz OEFFMCCWKUZSAC-QVKFZJNVSA-N 1 1 426.525 0.969 20 0 ICADMO CC[N@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001615786303 1073119160 /nfs/dbraw/zinc/11/91/60/1073119160.db2.gz OEFFMCCWKUZSAC-VFNWGFHPSA-N 1 1 426.525 0.969 20 0 ICADMO 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CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001615815711 1073123428 /nfs/dbraw/zinc/12/34/28/1073123428.db2.gz UUAMEYQQIGRZQZ-HOTGVXAUSA-N 1 1 426.587 0.914 20 0 ICADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001615815714 1073123384 /nfs/dbraw/zinc/12/33/84/1073123384.db2.gz UUAMEYQQIGRZQZ-HZPDHXFCSA-N 1 1 426.587 0.914 20 0 ICADMO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001615815714 1073123381 /nfs/dbraw/zinc/12/33/81/1073123381.db2.gz UUAMEYQQIGRZQZ-HZPDHXFCSA-N 1 1 426.587 0.914 20 0 ICADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001615815719 1073123345 /nfs/dbraw/zinc/12/33/45/1073123345.db2.gz UUAMEYQQIGRZQZ-JKSUJKDBSA-N 1 1 426.587 0.914 20 0 ICADMO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001615815719 1073123343 /nfs/dbraw/zinc/12/33/43/1073123343.db2.gz UUAMEYQQIGRZQZ-JKSUJKDBSA-N 1 1 426.587 0.914 20 0 ICADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)COC)CC1 ZINC001615819150 1073123440 /nfs/dbraw/zinc/12/34/40/1073123440.db2.gz ARNJNISDUHNBDY-GOSISDBHSA-N 1 1 447.584 0.570 20 0 ICADMO CC[N@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)COC)CC1 ZINC001615819151 1073123359 /nfs/dbraw/zinc/12/33/59/1073123359.db2.gz ARNJNISDUHNBDY-SFHVURJKSA-N 1 1 447.584 0.570 20 0 ICADMO CC[N@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001615819410 1073123445 /nfs/dbraw/zinc/12/34/45/1073123445.db2.gz BRFNZVRJHVTDRH-DLBZAZTESA-N 1 1 433.557 0.226 20 0 ICADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001615819411 1073123355 /nfs/dbraw/zinc/12/33/55/1073123355.db2.gz BRFNZVRJHVTDRH-IAGOWNOFSA-N 1 1 433.557 0.226 20 0 ICADMO CC[N@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001615819412 1073123337 /nfs/dbraw/zinc/12/33/37/1073123337.db2.gz BRFNZVRJHVTDRH-IRXDYDNUSA-N 1 1 433.557 0.226 20 0 ICADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001615819414 1073123412 /nfs/dbraw/zinc/12/34/12/1073123412.db2.gz BRFNZVRJHVTDRH-SJORKVTESA-N 1 1 433.557 0.226 20 0 ICADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001615820126 1073123375 /nfs/dbraw/zinc/12/33/75/1073123375.db2.gz ILUBUUQGPNNHQE-MOPGFXCFSA-N 1 1 444.584 0.965 20 0 ICADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001615820127 1073123436 /nfs/dbraw/zinc/12/34/36/1073123436.db2.gz ILUBUUQGPNNHQE-OALUTQOASA-N 1 1 444.584 0.965 20 0 ICADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001615820128 1073123321 /nfs/dbraw/zinc/12/33/21/1073123321.db2.gz ILUBUUQGPNNHQE-RBUKOAKNSA-N 1 1 444.584 0.965 20 0 ICADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001615820129 1073123420 /nfs/dbraw/zinc/12/34/20/1073123420.db2.gz ILUBUUQGPNNHQE-RTBURBONSA-N 1 1 444.584 0.965 20 0 ICADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001615820230 1073123455 /nfs/dbraw/zinc/12/34/55/1073123455.db2.gz CONGJMJJKKBQHS-MSOLQXFVSA-N 1 1 447.584 0.835 20 0 ICADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001615820231 1073123350 /nfs/dbraw/zinc/12/33/50/1073123350.db2.gz CONGJMJJKKBQHS-QZTJIDSGSA-N 1 1 447.584 0.835 20 0 ICADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001615820232 1073123332 /nfs/dbraw/zinc/12/33/32/1073123332.db2.gz CONGJMJJKKBQHS-ROUUACIJSA-N 1 1 447.584 0.835 20 0 ICADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001615820233 1073124066 /nfs/dbraw/zinc/12/40/66/1073124066.db2.gz CONGJMJJKKBQHS-ZWKOTPCHSA-N 1 1 447.584 0.835 20 0 ICADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001615820494 1073124075 /nfs/dbraw/zinc/12/40/75/1073124075.db2.gz DKITZYYDXXNYKM-LTIDMASMSA-N 1 1 434.541 0.464 20 0 ICADMO 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CCN1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)C(C)C)CC1=O ZINC001615830803 1073126271 /nfs/dbraw/zinc/12/62/71/1073126271.db2.gz PBMPGTHTFNPEJQ-MRXNPFEDSA-N 1 1 426.587 0.579 20 0 ICADMO CCN1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCOCC2)CC1=O ZINC001615831128 1073126713 /nfs/dbraw/zinc/12/67/13/1073126713.db2.gz JUMBBXXFSARCOL-INIZCTEOSA-N 1 1 433.557 0.399 20 0 ICADMO CCN1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCOCC2)CC1=O ZINC001615831129 1073126790 /nfs/dbraw/zinc/12/67/90/1073126790.db2.gz JUMBBXXFSARCOL-MRXNPFEDSA-N 1 1 433.557 0.399 20 0 ICADMO CCN1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1=O ZINC001615831168 1073126806 /nfs/dbraw/zinc/12/68/06/1073126806.db2.gz KKYGAFIMFSYNPA-DLBZAZTESA-N 1 1 433.557 0.256 20 0 ICADMO CCN1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)C[NH+]2CCOCC2)CC1=O ZINC001615831170 1073126752 /nfs/dbraw/zinc/12/67/52/1073126752.db2.gz KKYGAFIMFSYNPA-IAGOWNOFSA-N 1 1 433.557 0.256 20 0 ICADMO CCN1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1=O ZINC001615831172 1073126779 /nfs/dbraw/zinc/12/67/79/1073126779.db2.gz KKYGAFIMFSYNPA-IRXDYDNUSA-N 1 1 433.557 0.256 20 0 ICADMO CCN1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)C[NH+]2CCOCC2)CC1=O ZINC001615831174 1073126733 /nfs/dbraw/zinc/12/67/33/1073126733.db2.gz KKYGAFIMFSYNPA-SJORKVTESA-N 1 1 433.557 0.256 20 0 ICADMO CCN1CCCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[N@H+]2CCCO)CC1=O ZINC001615834801 1073127857 /nfs/dbraw/zinc/12/78/57/1073127857.db2.gz UBIXERBVGRINKD-GOSISDBHSA-N 1 1 447.584 0.306 20 0 ICADMO CCN1CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[N@H+]2CCCO)CC1=O ZINC001615834802 1073127808 /nfs/dbraw/zinc/12/78/08/1073127808.db2.gz UBIXERBVGRINKD-SFHVURJKSA-N 1 1 447.584 0.306 20 0 ICADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C)n3C[C@@H]3CC[C@H](CO)O3)CC2)CC1 ZINC001615835570 1073127848 /nfs/dbraw/zinc/12/78/48/1073127848.db2.gz ALBMQKLXEHDJII-VQTJNVASSA-N 1 1 434.585 0.897 20 0 ICADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C)n3CC(=O)N3CCOCC3)CC2)CC1 ZINC001615835647 1073127721 /nfs/dbraw/zinc/12/77/21/1073127721.db2.gz DEFLBAFEPCIUEC-UHFFFAOYSA-N 1 1 447.584 0.216 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(C)nnc2N2CCN(c3nccc(OC)n3)CC2)CC1 ZINC001615836621 1073128349 /nfs/dbraw/zinc/12/83/49/1073128349.db2.gz IGPMXFUCSKZBOE-KRWDZBQOSA-N 1 1 429.573 0.738 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(C)nnc2N2CCN(c3nccc(OC)n3)CC2)CC1 ZINC001615836622 1073128438 /nfs/dbraw/zinc/12/84/38/1073128438.db2.gz IGPMXFUCSKZBOE-QGZVFWFLSA-N 1 1 429.573 0.738 20 0 ICADMO CCN(CC)C(=O)CN1CCN(c2nnc(C)n2C[C@H](C)[NH+]2CCN(CC)CC2)CC1 ZINC001615836648 1073128323 /nfs/dbraw/zinc/12/83/23/1073128323.db2.gz IYAKOVVBNVMPME-IBGZPJMESA-N 1 1 434.633 0.603 20 0 ICADMO CCN(CC)C(=O)CN1CCN(c2nnc(C)n2C[C@@H](C)[NH+]2CCN(CC)CC2)CC1 ZINC001615836649 1073128511 /nfs/dbraw/zinc/12/85/11/1073128511.db2.gz IYAKOVVBNVMPME-LJQANCHMSA-N 1 1 434.633 0.603 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(C)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001615837238 1073128532 /nfs/dbraw/zinc/12/85/32/1073128532.db2.gz NAJJFMYBDRBMGW-AEFFLSMTSA-N 1 1 427.619 0.378 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001615837246 1073128477 /nfs/dbraw/zinc/12/84/77/1073128477.db2.gz NAJJFMYBDRBMGW-FUHWJXTLSA-N 1 1 427.619 0.378 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001615837248 1073128551 /nfs/dbraw/zinc/12/85/51/1073128551.db2.gz NAJJFMYBDRBMGW-SJLPKXTDSA-N 1 1 427.619 0.378 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(C)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001615837250 1073128406 /nfs/dbraw/zinc/12/84/06/1073128406.db2.gz NAJJFMYBDRBMGW-WMZOPIPTSA-N 1 1 427.619 0.378 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001615841622 1073128982 /nfs/dbraw/zinc/12/89/82/1073128982.db2.gz DBOZCCUDKHPXRT-MSOLQXFVSA-N 1 1 428.585 0.977 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccn3C)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001615841623 1073129154 /nfs/dbraw/zinc/12/91/54/1073129154.db2.gz DBOZCCUDKHPXRT-QZTJIDSGSA-N 1 1 428.585 0.977 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001615841624 1073129144 /nfs/dbraw/zinc/12/91/44/1073129144.db2.gz DBOZCCUDKHPXRT-ROUUACIJSA-N 1 1 428.585 0.977 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccn3C)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001615841625 1073129026 /nfs/dbraw/zinc/12/90/26/1073129026.db2.gz DBOZCCUDKHPXRT-ZWKOTPCHSA-N 1 1 428.585 0.977 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001615841712 1073129179 /nfs/dbraw/zinc/12/91/79/1073129179.db2.gz FBWKHAJSJHRXDT-DLBZAZTESA-N 1 1 427.557 0.428 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001615841713 1073129106 /nfs/dbraw/zinc/12/91/06/1073129106.db2.gz FBWKHAJSJHRXDT-IAGOWNOFSA-N 1 1 427.557 0.428 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001615841714 1073129068 /nfs/dbraw/zinc/12/90/68/1073129068.db2.gz FBWKHAJSJHRXDT-IRXDYDNUSA-N 1 1 427.557 0.428 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001615841715 1073129199 /nfs/dbraw/zinc/12/91/99/1073129199.db2.gz FBWKHAJSJHRXDT-SJORKVTESA-N 1 1 427.557 0.428 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001615841834 1073129005 /nfs/dbraw/zinc/12/90/05/1073129005.db2.gz GXJBUVGMRHTTNM-HKUYNNGSSA-N 1 1 442.568 0.317 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001615841835 1073129133 /nfs/dbraw/zinc/12/91/33/1073129133.db2.gz GXJBUVGMRHTTNM-IEBWSBKVSA-N 1 1 442.568 0.317 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccn3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001615841836 1073129169 /nfs/dbraw/zinc/12/91/69/1073129169.db2.gz GXJBUVGMRHTTNM-MJGOQNOKSA-N 1 1 442.568 0.317 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001615841837 1073129094 /nfs/dbraw/zinc/12/90/94/1073129094.db2.gz GXJBUVGMRHTTNM-PKOBYXMFSA-N 1 1 442.568 0.317 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(C3CCC3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001615842094 1073130056 /nfs/dbraw/zinc/13/00/56/1073130056.db2.gz JWPOKVQDTCEMFB-KRWDZBQOSA-N 1 1 439.630 0.653 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(C3CCC3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001615842096 1073129745 /nfs/dbraw/zinc/12/97/45/1073129745.db2.gz JWPOKVQDTCEMFB-QGZVFWFLSA-N 1 1 439.630 0.653 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccn3)nnc2N(C)CCC(=O)NC)CC1 ZINC001615842463 1073129831 /nfs/dbraw/zinc/12/98/31/1073129831.db2.gz FDYVGJPEFDOIKX-GOSISDBHSA-N 1 1 428.585 0.862 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccn3)nnc2N(C)CCC(=O)NC)CC1 ZINC001615842465 1073130018 /nfs/dbraw/zinc/13/00/18/1073130018.db2.gz FDYVGJPEFDOIKX-SFHVURJKSA-N 1 1 428.585 0.862 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(C3CCC3)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001615842659 1073130001 /nfs/dbraw/zinc/13/00/01/1073130001.db2.gz OIMVMSPZPFJNFK-BHIYHBOVSA-N 1 1 434.585 0.932 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(C3CCC3)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001615842660 1073129879 /nfs/dbraw/zinc/12/98/79/1073129879.db2.gz OIMVMSPZPFJNFK-QXAKKESOSA-N 1 1 434.585 0.932 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001615842843 1073129898 /nfs/dbraw/zinc/12/98/98/1073129898.db2.gz HVIMPIZIBFYMNC-GOSISDBHSA-N 1 1 426.569 0.568 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001615842844 1073129799 /nfs/dbraw/zinc/12/97/99/1073129799.db2.gz HVIMPIZIBFYMNC-SFHVURJKSA-N 1 1 426.569 0.568 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccn3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001615843133 1073129913 /nfs/dbraw/zinc/12/99/13/1073129913.db2.gz KPHXCXHKILVLPJ-MOPGFXCFSA-N 1 1 440.596 0.957 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001615843137 1073129862 /nfs/dbraw/zinc/12/98/62/1073129862.db2.gz KPHXCXHKILVLPJ-OALUTQOASA-N 1 1 440.596 0.957 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001615843139 1073129924 /nfs/dbraw/zinc/12/99/24/1073129924.db2.gz KPHXCXHKILVLPJ-RBUKOAKNSA-N 1 1 440.596 0.957 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccn3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001615843141 1073129979 /nfs/dbraw/zinc/12/99/79/1073129979.db2.gz KPHXCXHKILVLPJ-RTBURBONSA-N 1 1 440.596 0.957 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)C)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001615843291 1073130575 /nfs/dbraw/zinc/13/05/75/1073130575.db2.gz LOHXGZOOTQVYSM-GUDVDZBRSA-N 1 1 436.601 0.863 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)C)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001615843292 1073130513 /nfs/dbraw/zinc/13/05/13/1073130513.db2.gz LOHXGZOOTQVYSM-IPMKNSEASA-N 1 1 436.601 0.863 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001615843401 1073130702 /nfs/dbraw/zinc/13/07/02/1073130702.db2.gz UZNUKEJQGYNJOU-GOSISDBHSA-N 1 1 444.584 0.594 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001615843402 1073130759 /nfs/dbraw/zinc/13/07/59/1073130759.db2.gz UZNUKEJQGYNJOU-SFHVURJKSA-N 1 1 444.584 0.594 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001615843443 1073130660 /nfs/dbraw/zinc/13/06/60/1073130660.db2.gz VVNFNRYWKCUMDP-KRWDZBQOSA-N 1 1 441.584 0.724 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001615843444 1073130686 /nfs/dbraw/zinc/13/06/86/1073130686.db2.gz VVNFNRYWKCUMDP-QGZVFWFLSA-N 1 1 441.584 0.724 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001615843457 1073130717 /nfs/dbraw/zinc/13/07/17/1073130717.db2.gz WGIMFTAZFFKQTP-GOSISDBHSA-N 1 1 441.584 0.828 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001615843458 1073130621 /nfs/dbraw/zinc/13/06/21/1073130621.db2.gz WGIMFTAZFFKQTP-SFHVURJKSA-N 1 1 441.584 0.828 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001615843465 1073130731 /nfs/dbraw/zinc/13/07/31/1073130731.db2.gz WJANNSPDWWTUMI-MSOLQXFVSA-N 1 1 443.600 0.762 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001615843466 1073130770 /nfs/dbraw/zinc/13/07/70/1073130770.db2.gz WJANNSPDWWTUMI-QZTJIDSGSA-N 1 1 443.600 0.762 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001615843467 1073130545 /nfs/dbraw/zinc/13/05/45/1073130545.db2.gz WJANNSPDWWTUMI-ROUUACIJSA-N 1 1 443.600 0.762 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001615843468 1073130633 /nfs/dbraw/zinc/13/06/33/1073130633.db2.gz WJANNSPDWWTUMI-ZWKOTPCHSA-N 1 1 443.600 0.762 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001615843510 1073130595 /nfs/dbraw/zinc/13/05/95/1073130595.db2.gz WZWSSXITGHFAER-HKUYNNGSSA-N 1 1 444.584 0.641 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001615843511 1073130745 /nfs/dbraw/zinc/13/07/45/1073130745.db2.gz WZWSSXITGHFAER-IEBWSBKVSA-N 1 1 444.584 0.641 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001615843512 1073131662 /nfs/dbraw/zinc/13/16/62/1073131662.db2.gz WZWSSXITGHFAER-MJGOQNOKSA-N 1 1 444.584 0.641 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001615843513 1073131378 /nfs/dbraw/zinc/13/13/78/1073131378.db2.gz WZWSSXITGHFAER-PKOBYXMFSA-N 1 1 444.584 0.641 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnccn3)nnc2N(C)CCNC(=O)C(C)C)CC1 ZINC001615843810 1073131782 /nfs/dbraw/zinc/13/17/82/1073131782.db2.gz YHPUGUSAOMWLDC-GOSISDBHSA-N 1 1 443.600 0.970 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)CCNC(=O)C(C)C)CC1 ZINC001615843811 1073131525 /nfs/dbraw/zinc/13/15/25/1073131525.db2.gz YHPUGUSAOMWLDC-SFHVURJKSA-N 1 1 443.600 0.970 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001615844637 1073131751 /nfs/dbraw/zinc/13/17/51/1073131751.db2.gz GXSLCVFMGCXHFA-DLBZAZTESA-N 1 1 434.589 0.127 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001615844639 1073131730 /nfs/dbraw/zinc/13/17/30/1073131730.db2.gz GXSLCVFMGCXHFA-IAGOWNOFSA-N 1 1 434.589 0.127 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001615844642 1073131458 /nfs/dbraw/zinc/13/14/58/1073131458.db2.gz GXSLCVFMGCXHFA-IRXDYDNUSA-N 1 1 434.589 0.127 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001615844644 1073131690 /nfs/dbraw/zinc/13/16/90/1073131690.db2.gz GXSLCVFMGCXHFA-SJORKVTESA-N 1 1 434.589 0.127 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001615845244 1073131507 /nfs/dbraw/zinc/13/15/07/1073131507.db2.gz XJTWPNZOIQASPT-FDDCHVKYSA-N 1 1 440.596 0.992 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001615845245 1073131765 /nfs/dbraw/zinc/13/17/65/1073131765.db2.gz XJTWPNZOIQASPT-JPYJTQIMSA-N 1 1 440.596 0.992 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001615845246 1073131616 /nfs/dbraw/zinc/13/16/16/1073131616.db2.gz XJTWPNZOIQASPT-MBSDFSHPSA-N 1 1 440.596 0.992 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001615845247 1073131440 /nfs/dbraw/zinc/13/14/40/1073131440.db2.gz XJTWPNZOIQASPT-WZONZLPQSA-N 1 1 440.596 0.992 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCCN(CC)C(=O)C2)CC1 ZINC001615845485 1073132421 /nfs/dbraw/zinc/13/24/21/1073132421.db2.gz ZEQNLHXZTBQWJU-MOPGFXCFSA-N 1 1 433.601 0.867 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCCN(CC)C(=O)C2)CC1 ZINC001615845492 1073132478 /nfs/dbraw/zinc/13/24/78/1073132478.db2.gz ZEQNLHXZTBQWJU-OALUTQOASA-N 1 1 433.601 0.867 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCCN(CC)C(=O)C2)CC1 ZINC001615845493 1073132267 /nfs/dbraw/zinc/13/22/67/1073132267.db2.gz ZEQNLHXZTBQWJU-RBUKOAKNSA-N 1 1 433.601 0.867 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCCN(CC)C(=O)C2)CC1 ZINC001615845494 1073132214 /nfs/dbraw/zinc/13/22/14/1073132214.db2.gz ZEQNLHXZTBQWJU-RTBURBONSA-N 1 1 433.601 0.867 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001615846620 1073132406 /nfs/dbraw/zinc/13/24/06/1073132406.db2.gz ZEXNEXTZMFIMQX-HKUYNNGSSA-N 1 1 445.616 0.866 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001615846621 1073132128 /nfs/dbraw/zinc/13/21/28/1073132128.db2.gz ZEXNEXTZMFIMQX-IEBWSBKVSA-N 1 1 445.616 0.866 20 0 ICADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001615846622 1073132249 /nfs/dbraw/zinc/13/22/49/1073132249.db2.gz ZEXNEXTZMFIMQX-MJGOQNOKSA-N 1 1 445.616 0.866 20 0 ICADMO CCN1CC[NH+]([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001615846623 1073132444 /nfs/dbraw/zinc/13/24/44/1073132444.db2.gz ZEXNEXTZMFIMQX-PKOBYXMFSA-N 1 1 445.616 0.866 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCOC[C@H]2C)C[C@@H]1C ZINC001615847327 1073132318 /nfs/dbraw/zinc/13/23/18/1073132318.db2.gz ANDBVXAPIYDBMP-BBWFWOEESA-N 1 1 443.618 0.139 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCOC[C@@H]2C)C[C@H]1C ZINC001615847329 1073132075 /nfs/dbraw/zinc/13/20/75/1073132075.db2.gz ANDBVXAPIYDBMP-IKGGRYGDSA-N 1 1 443.618 0.139 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCOC[C@@H]2C)C[C@@H]1C ZINC001615847331 1073133150 /nfs/dbraw/zinc/13/31/50/1073133150.db2.gz ANDBVXAPIYDBMP-ULQDDVLXSA-N 1 1 443.618 0.139 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCOC[C@H]2C)C[C@H]1C ZINC001615847332 1073133227 /nfs/dbraw/zinc/13/32/27/1073133227.db2.gz ANDBVXAPIYDBMP-ZACQAIPSSA-N 1 1 443.618 0.139 20 0 ICADMO 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CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)CCOC)C[C@H]1C ZINC001615848386 1073133188 /nfs/dbraw/zinc/13/31/88/1073133188.db2.gz IUSHTFKCZUDREL-VKJFTORMSA-N 1 1 432.591 0.206 20 0 ICADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCO[C@H]2C)C[C@@H]1C ZINC001615849522 1073133103 /nfs/dbraw/zinc/13/31/03/1073133103.db2.gz OQNYGDYPKVSIQQ-CKJXQJPGSA-N 1 1 429.525 0.996 20 0 ICADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCO[C@@H]2C)C[C@@H]1C ZINC001615849523 1073133032 /nfs/dbraw/zinc/13/30/32/1073133032.db2.gz OQNYGDYPKVSIQQ-GCKMJXCFSA-N 1 1 429.525 0.996 20 0 ICADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCO[C@H]2C)C[C@H]1C ZINC001615849707 1073133066 /nfs/dbraw/zinc/13/30/66/1073133066.db2.gz OQNYGDYPKVSIQQ-VWKPWSFCSA-N 1 1 429.525 0.996 20 0 ICADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCO[C@@H]2C)C[C@H]1C ZINC001615849709 1073133249 /nfs/dbraw/zinc/13/32/49/1073133249.db2.gz OQNYGDYPKVSIQQ-WHSLLNHNSA-N 1 1 429.525 0.996 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(OC)CCOC2)C[C@@H]1C ZINC001615850390 1073133180 /nfs/dbraw/zinc/13/31/80/1073133180.db2.gz REHZBIGYCQFOCT-MPGHIAIKSA-N 1 1 430.575 0.224 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(OC)CCOC2)C[C@@H]1C ZINC001615850402 1073133131 /nfs/dbraw/zinc/13/31/31/1073133131.db2.gz REHZBIGYCQFOCT-RLFYNMQTSA-N 1 1 430.575 0.224 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(OC)CCOC2)C[C@H]1C ZINC001615850404 1073133046 /nfs/dbraw/zinc/13/30/46/1073133046.db2.gz REHZBIGYCQFOCT-RVKKMQEKSA-N 1 1 430.575 0.224 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(OC)CCOC2)C[C@H]1C ZINC001615850405 1073133118 /nfs/dbraw/zinc/13/31/18/1073133118.db2.gz REHZBIGYCQFOCT-VKJFTORMSA-N 1 1 430.575 0.224 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNS(C)(=O)=O)C[C@H]1C ZINC001615851151 1073133170 /nfs/dbraw/zinc/13/31/70/1073133170.db2.gz WYYJKFKTWQHFFB-APWZRJJASA-N 1 1 444.602 0.398 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNS(C)(=O)=O)C[C@@H]1C ZINC001615851156 1073133750 /nfs/dbraw/zinc/13/37/50/1073133750.db2.gz WYYJKFKTWQHFFB-LPHOPBHVSA-N 1 1 444.602 0.398 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNS(C)(=O)=O)C[C@@H]1C ZINC001615851157 1073133905 /nfs/dbraw/zinc/13/39/05/1073133905.db2.gz WYYJKFKTWQHFFB-QFBILLFUSA-N 1 1 444.602 0.398 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNS(C)(=O)=O)C[C@H]1C ZINC001615851158 1073133844 /nfs/dbraw/zinc/13/38/44/1073133844.db2.gz WYYJKFKTWQHFFB-VQIMIIECSA-N 1 1 444.602 0.398 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@@H](C)OCCOC)n2CCN2CCCS2(=O)=O)C[C@@H]1C ZINC001615851319 1073133818 /nfs/dbraw/zinc/13/38/18/1073133818.db2.gz XQHZIISZVLWUPI-DLBZAZTESA-N 1 1 444.602 0.568 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@@H](C)OCCOC)n2CCN2CCCS2(=O)=O)C[C@H]1C ZINC001615851320 1073133944 /nfs/dbraw/zinc/13/39/44/1073133944.db2.gz XQHZIISZVLWUPI-IAGOWNOFSA-N 1 1 444.602 0.568 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H](C)OCCOC)n2CCN2CCCS2(=O)=O)C[C@@H]1C ZINC001615851321 1073133853 /nfs/dbraw/zinc/13/38/53/1073133853.db2.gz XQHZIISZVLWUPI-IRXDYDNUSA-N 1 1 444.602 0.568 20 0 ICADMO CC[N@H+]1CCN(c2nnc([C@H](C)OCCOC)n2CCN2CCCS2(=O)=O)C[C@H]1C ZINC001615851322 1073133724 /nfs/dbraw/zinc/13/37/24/1073133724.db2.gz XQHZIISZVLWUPI-SJORKVTESA-N 1 1 444.602 0.568 20 0 ICADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC[C@H](CO)O2)C[C@H]1C ZINC001615851749 1073133789 /nfs/dbraw/zinc/13/37/89/1073133789.db2.gz XUNBKNHGJBGSRM-IXDOHACOSA-N 1 1 429.525 0.996 20 0 ICADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC[C@H](CO)O2)C[C@@H]1C ZINC001615851750 1073133760 /nfs/dbraw/zinc/13/37/60/1073133760.db2.gz XUNBKNHGJBGSRM-YESZJQIVSA-N 1 1 429.525 0.996 20 0 ICADMO CC[N@H+]1CCN(c2nnc(C3CC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C[C@@H]1C ZINC001615862972 1073133833 /nfs/dbraw/zinc/13/38/33/1073133833.db2.gz QBEVHOQLACROCV-HNNXBMFYSA-N 1 1 425.537 0.949 20 0 ICADMO CC[N@H+]1CCN(c2nnc(C3CC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C[C@H]1C ZINC001615862973 1073133924 /nfs/dbraw/zinc/13/39/24/1073133924.db2.gz QBEVHOQLACROCV-OAHLLOKOSA-N 1 1 425.537 0.949 20 0 ICADMO CC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)C[C@@H]1C ZINC001615863262 1073133780 /nfs/dbraw/zinc/13/37/80/1073133780.db2.gz VRVOZXOIRAPLGZ-DLBZAZTESA-N 1 1 430.557 0.704 20 0 ICADMO CC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)C[C@H]1C ZINC001615863263 1073133878 /nfs/dbraw/zinc/13/38/78/1073133878.db2.gz VRVOZXOIRAPLGZ-IAGOWNOFSA-N 1 1 430.557 0.704 20 0 ICADMO CC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@@H]1C ZINC001615863264 1073133914 /nfs/dbraw/zinc/13/39/14/1073133914.db2.gz VRVOZXOIRAPLGZ-IRXDYDNUSA-N 1 1 430.557 0.704 20 0 ICADMO CC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@H]1C ZINC001615863265 1073134422 /nfs/dbraw/zinc/13/44/22/1073134422.db2.gz VRVOZXOIRAPLGZ-SJORKVTESA-N 1 1 430.557 0.704 20 0 ICADMO 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CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccc[nH]4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001615876993 1073138082 /nfs/dbraw/zinc/13/80/82/1073138082.db2.gz QILWXWOGQPARTA-INIZCTEOSA-N 1 1 436.586 0.039 20 0 ICADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc[nH]4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001615876999 1073138111 /nfs/dbraw/zinc/13/81/11/1073138111.db2.gz QILWXWOGQPARTA-MRXNPFEDSA-N 1 1 436.586 0.039 20 0 ICADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C4CCCC4)n3CCS(=O)(=O)NC)C2)CC1 ZINC001615877011 1073138347 /nfs/dbraw/zinc/13/83/47/1073138347.db2.gz QNNLVITUGJPGMK-GOSISDBHSA-N 1 1 439.630 0.701 20 0 ICADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(C4CCCC4)n3CCS(=O)(=O)NC)C2)CC1 ZINC001615877012 1073138207 /nfs/dbraw/zinc/13/82/07/1073138207.db2.gz QNNLVITUGJPGMK-SFHVURJKSA-N 1 1 439.630 0.701 20 0 ICADMO CCN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001615877123 1073138426 /nfs/dbraw/zinc/13/84/26/1073138426.db2.gz SRGNYDNJNHAFSJ-GOSISDBHSA-N 1 1 446.600 0.095 20 0 ICADMO CCN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001615877124 1073138327 /nfs/dbraw/zinc/13/83/27/1073138327.db2.gz SRGNYDNJNHAFSJ-SFHVURJKSA-N 1 1 446.600 0.095 20 0 ICADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)C)n3CCC[C@@H]3NC(=O)NC3=O)C2)CC1 ZINC001615877161 1073138369 /nfs/dbraw/zinc/13/83/69/1073138369.db2.gz UFCQUZYVJVOKES-MSOLQXFVSA-N 1 1 446.600 0.681 20 0 ICADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)C)n3CCC[C@@H]3NC(=O)NC3=O)C2)CC1 ZINC001615877162 1073138179 /nfs/dbraw/zinc/13/81/79/1073138179.db2.gz UFCQUZYVJVOKES-ROUUACIJSA-N 1 1 446.600 0.681 20 0 ICADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(C4CCC4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001615877907 1073138052 /nfs/dbraw/zinc/13/80/52/1073138052.db2.gz XQBLPLITYVLRND-KRWDZBQOSA-N 1 1 425.603 0.311 20 0 ICADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C4CCC4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001615877908 1073139119 /nfs/dbraw/zinc/13/91/19/1073139119.db2.gz XQBLPLITYVLRND-QGZVFWFLSA-N 1 1 425.603 0.311 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCNC(=O)CC2)CC1 ZINC001615878809 1073139069 /nfs/dbraw/zinc/13/90/69/1073139069.db2.gz FNWCMUFBSPSLIC-KRWDZBQOSA-N 1 1 434.589 0.016 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCNC(=O)CC2)CC1 ZINC001615878810 1073139033 /nfs/dbraw/zinc/13/90/33/1073139033.db2.gz FNWCMUFBSPSLIC-QGZVFWFLSA-N 1 1 434.589 0.016 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001615878827 1073138825 /nfs/dbraw/zinc/13/88/25/1073138825.db2.gz FVVZFMCCTNOKDC-IBGZPJMESA-N 1 1 435.617 0.970 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001615878828 1073139054 /nfs/dbraw/zinc/13/90/54/1073139054.db2.gz FVVZFMCCTNOKDC-LJQANCHMSA-N 1 1 435.617 0.970 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001615878876 1073138879 /nfs/dbraw/zinc/13/88/79/1073138879.db2.gz GSOSHGFZJHMCHX-IRXDYDNUSA-N 1 1 427.619 0.330 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001615878877 1073139014 /nfs/dbraw/zinc/13/90/14/1073139014.db2.gz GSOSHGFZJHMCHX-SJORKVTESA-N 1 1 427.619 0.330 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001615879373 1073139088 /nfs/dbraw/zinc/13/90/88/1073139088.db2.gz PCCZFEJPUFOFEY-HTAPYJJXSA-N 1 1 448.616 0.392 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001615879374 1073139100 /nfs/dbraw/zinc/13/91/00/1073139100.db2.gz PCCZFEJPUFOFEY-JTSKRJEESA-N 1 1 448.616 0.392 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001615879375 1073138907 /nfs/dbraw/zinc/13/89/07/1073138907.db2.gz PCCZFEJPUFOFEY-VGOFRKELSA-N 1 1 448.616 0.392 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001615879376 1073138844 /nfs/dbraw/zinc/13/88/44/1073138844.db2.gz PCCZFEJPUFOFEY-VGSWGCGISA-N 1 1 448.616 0.392 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C)nnc2N2CCN(C(=O)N3CCOCC3)CC2)CC1 ZINC001615879503 1073138956 /nfs/dbraw/zinc/13/89/56/1073138956.db2.gz RNQKTAQNCUVODO-IBGZPJMESA-N 1 1 448.616 0.434 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCN(C(=O)N3CCOCC3)CC2)CC1 ZINC001615879504 1073138940 /nfs/dbraw/zinc/13/89/40/1073138940.db2.gz RNQKTAQNCUVODO-LJQANCHMSA-N 1 1 448.616 0.434 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001615879697 1073138861 /nfs/dbraw/zinc/13/88/61/1073138861.db2.gz VXEFLJRKKILYFI-MSOLQXFVSA-N 1 1 448.616 0.488 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001615879698 1073139078 /nfs/dbraw/zinc/13/90/78/1073139078.db2.gz VXEFLJRKKILYFI-QZTJIDSGSA-N 1 1 448.616 0.488 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001615879699 1073138972 /nfs/dbraw/zinc/13/89/72/1073138972.db2.gz VXEFLJRKKILYFI-ROUUACIJSA-N 1 1 448.616 0.488 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001615879700 1073138922 /nfs/dbraw/zinc/13/89/22/1073138922.db2.gz VXEFLJRKKILYFI-ZWKOTPCHSA-N 1 1 448.616 0.488 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001615881067 1073139675 /nfs/dbraw/zinc/13/96/75/1073139675.db2.gz SMXGRVVDQDUCRU-AZUAARDMSA-N 1 1 440.596 0.849 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001615881068 1073139778 /nfs/dbraw/zinc/13/97/78/1073139778.db2.gz SMXGRVVDQDUCRU-ICSRJNTNSA-N 1 1 440.596 0.849 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001615881069 1073139606 /nfs/dbraw/zinc/13/96/06/1073139606.db2.gz SMXGRVVDQDUCRU-QUCCMNQESA-N 1 1 440.596 0.849 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001615881070 1073139629 /nfs/dbraw/zinc/13/96/29/1073139629.db2.gz SMXGRVVDQDUCRU-UYAOXDASSA-N 1 1 440.596 0.849 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cnccn2)CC1 ZINC001615881500 1073139827 /nfs/dbraw/zinc/13/98/27/1073139827.db2.gz XASFBOBWLOEORJ-HKUYNNGSSA-N 1 1 441.584 0.929 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cnccn2)CC1 ZINC001615881503 1073139713 /nfs/dbraw/zinc/13/97/13/1073139713.db2.gz XASFBOBWLOEORJ-IEBWSBKVSA-N 1 1 441.584 0.929 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cnccn2)CC1 ZINC001615881507 1073139873 /nfs/dbraw/zinc/13/98/73/1073139873.db2.gz XASFBOBWLOEORJ-MJGOQNOKSA-N 1 1 441.584 0.929 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cnccn2)CC1 ZINC001615881511 1073139584 /nfs/dbraw/zinc/13/95/84/1073139584.db2.gz XASFBOBWLOEORJ-PKOBYXMFSA-N 1 1 441.584 0.929 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001615881729 1073139704 /nfs/dbraw/zinc/13/97/04/1073139704.db2.gz FLQDOASXFJDQHC-GOSISDBHSA-N 1 1 428.585 0.836 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccn3C)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001615881730 1073139661 /nfs/dbraw/zinc/13/96/61/1073139661.db2.gz FLQDOASXFJDQHC-SFHVURJKSA-N 1 1 428.585 0.836 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001615882582 1073139553 /nfs/dbraw/zinc/13/95/53/1073139553.db2.gz PKFSUZDMHGJPOF-KRWDZBQOSA-N 1 1 429.573 0.231 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001615882584 1073139745 /nfs/dbraw/zinc/13/97/45/1073139745.db2.gz PKFSUZDMHGJPOF-QGZVFWFLSA-N 1 1 429.573 0.231 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cnccn3)nnc2N(C)CCC(=O)NC)CC1 ZINC001615883409 1073139738 /nfs/dbraw/zinc/13/97/38/1073139738.db2.gz YLGDXNUAWWCYEX-KRWDZBQOSA-N 1 1 429.573 0.581 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)CCC(=O)NC)CC1 ZINC001615883410 1073139758 /nfs/dbraw/zinc/13/97/58/1073139758.db2.gz YLGDXNUAWWCYEX-QGZVFWFLSA-N 1 1 429.573 0.581 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001615883477 1073139813 /nfs/dbraw/zinc/13/98/13/1073139813.db2.gz ZHVAHSNBCXJRIH-MSOLQXFVSA-N 1 1 441.584 0.676 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001615883478 1073139568 /nfs/dbraw/zinc/13/95/68/1073139568.db2.gz ZHVAHSNBCXJRIH-QZTJIDSGSA-N 1 1 441.584 0.676 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cnccn3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001615883479 1073139797 /nfs/dbraw/zinc/13/97/97/1073139797.db2.gz ZHVAHSNBCXJRIH-ROUUACIJSA-N 1 1 441.584 0.676 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cnccn3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001615883480 1073139844 /nfs/dbraw/zinc/13/98/44/1073139844.db2.gz ZHVAHSNBCXJRIH-ZWKOTPCHSA-N 1 1 441.584 0.676 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCOC[C@@H]2C)CC1 ZINC001615884699 1073139857 /nfs/dbraw/zinc/13/98/57/1073139857.db2.gz FGRFCCQEZMVPQB-MOPGFXCFSA-N 1 1 433.601 0.899 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCOC[C@@H]2C)CC1 ZINC001615884700 1073140158 /nfs/dbraw/zinc/14/01/58/1073140158.db2.gz FGRFCCQEZMVPQB-OALUTQOASA-N 1 1 433.601 0.899 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCOC[C@H]2C)CC1 ZINC001615884701 1073140425 /nfs/dbraw/zinc/14/04/25/1073140425.db2.gz FGRFCCQEZMVPQB-RBUKOAKNSA-N 1 1 433.601 0.899 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCOC[C@H]2C)CC1 ZINC001615884702 1073140524 /nfs/dbraw/zinc/14/05/24/1073140524.db2.gz FGRFCCQEZMVPQB-RTBURBONSA-N 1 1 433.601 0.899 20 0 ICADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001615884705 1073140445 /nfs/dbraw/zinc/14/04/45/1073140445.db2.gz FHVPORBMBIGUTN-GOSISDBHSA-N 1 1 448.616 0.501 20 0 ICADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001615884706 1073140370 /nfs/dbraw/zinc/14/03/70/1073140370.db2.gz FHVPORBMBIGUTN-SFHVURJKSA-N 1 1 448.616 0.501 20 0 ICADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](OC)C2)CC1 ZINC001615885370 1073140468 /nfs/dbraw/zinc/14/04/68/1073140468.db2.gz QKZTUEQBPNULFS-MOPGFXCFSA-N 1 1 433.601 0.899 20 0 ICADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](OC)C2)CC1 ZINC001615885371 1073140331 /nfs/dbraw/zinc/14/03/31/1073140331.db2.gz QKZTUEQBPNULFS-OALUTQOASA-N 1 1 433.601 0.899 20 0 ICADMO CC[NH+]1CCN(CCCCn2c(C)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001615885994 1073140455 /nfs/dbraw/zinc/14/04/55/1073140455.db2.gz NPDACQQTPMUDHI-UHFFFAOYSA-N 1 1 441.646 0.864 20 0 ICADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001615886091 1073140354 /nfs/dbraw/zinc/14/03/54/1073140354.db2.gz XENJHDSEBWXSSE-GOSISDBHSA-N 1 1 449.600 0.833 20 0 ICADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001615886092 1073140250 /nfs/dbraw/zinc/14/02/50/1073140250.db2.gz XENJHDSEBWXSSE-SFHVURJKSA-N 1 1 449.600 0.833 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CC[C@@H]3OC(=O)O[C@@H]3C2)CC1 ZINC001615887106 1073140228 /nfs/dbraw/zinc/14/02/28/1073140228.db2.gz CFCFPVJHBARSNB-DLBZAZTESA-N 1 1 449.556 0.558 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CC[C@H]3OC(=O)O[C@@H]3C2)CC1 ZINC001615887107 1073140403 /nfs/dbraw/zinc/14/04/03/1073140403.db2.gz CFCFPVJHBARSNB-IAGOWNOFSA-N 1 1 449.556 0.558 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CC[C@@H]3OC(=O)O[C@H]3C2)CC1 ZINC001615887108 1073140291 /nfs/dbraw/zinc/14/02/91/1073140291.db2.gz CFCFPVJHBARSNB-IRXDYDNUSA-N 1 1 449.556 0.558 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CC[C@H]3OC(=O)O[C@H]3C2)CC1 ZINC001615887109 1073140492 /nfs/dbraw/zinc/14/04/92/1073140492.db2.gz CFCFPVJHBARSNB-SJORKVTESA-N 1 1 449.556 0.558 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001615887366 1073140268 /nfs/dbraw/zinc/14/02/68/1073140268.db2.gz FGILWAKPRBTDCG-KRWDZBQOSA-N 1 1 434.589 0.242 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001615887367 1073140378 /nfs/dbraw/zinc/14/03/78/1073140378.db2.gz FGILWAKPRBTDCG-QGZVFWFLSA-N 1 1 434.589 0.242 20 0 ICADMO CC[NH+]1CCN(CCCCn2c(-c3cnccn3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001615888047 1073140485 /nfs/dbraw/zinc/14/04/85/1073140485.db2.gz GMSAJVAAKGQLFO-KRWDZBQOSA-N 1 1 427.557 0.464 20 0 ICADMO CC[NH+]1CCN(CCCCn2c(-c3cnccn3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001615888048 1073140192 /nfs/dbraw/zinc/14/01/92/1073140192.db2.gz GMSAJVAAKGQLFO-QGZVFWFLSA-N 1 1 427.557 0.464 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCNC(=O)C2)CC1 ZINC001615888141 1073141195 /nfs/dbraw/zinc/14/11/95/1073141195.db2.gz AMOKTPBIOBFTAE-UHFFFAOYSA-N 1 1 432.960 0.957 20 0 ICADMO CC[NH+]1CCN(CCCCn2c(C3CCC3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001615888167 1073141208 /nfs/dbraw/zinc/14/12/08/1073141208.db2.gz HIMUIBVRUHMPEN-IBGZPJMESA-N 1 1 433.601 0.915 20 0 ICADMO CC[NH+]1CCN(CCCCn2c(C3CCC3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001615888169 1073141168 /nfs/dbraw/zinc/14/11/68/1073141168.db2.gz HIMUIBVRUHMPEN-LJQANCHMSA-N 1 1 433.601 0.915 20 0 ICADMO CC[NH+]1CCN(CCCCn2c(-c3cnccn3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001615888210 1073141177 /nfs/dbraw/zinc/14/11/77/1073141177.db2.gz HTOUMTJSGHZFJP-UHFFFAOYSA-N 1 1 448.597 0.388 20 0 ICADMO CCN1CC[NH+](CCCn2c(C)nnc2N2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC001615888236 1073141120 /nfs/dbraw/zinc/14/11/20/1073141120.db2.gz AZZJCOYOQHCXCQ-UHFFFAOYSA-N 1 1 433.601 0.689 20 0 ICADMO CCN1CC[NH+](CCCn2c(C)nnc2N2CCC(NS(=O)(=O)CC)CC2)CC1 ZINC001615888262 1073141091 /nfs/dbraw/zinc/14/10/91/1073141091.db2.gz BEEFQHOQZBBWDV-UHFFFAOYSA-N 1 1 427.619 0.522 20 0 ICADMO CC[NH+]1CCN(CCCCn2c(C3CC3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001615888326 1073141215 /nfs/dbraw/zinc/14/12/15/1073141215.db2.gz IGVIPLOGJATQTB-UHFFFAOYSA-N 1 1 446.644 0.783 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001615888346 1073141102 /nfs/dbraw/zinc/14/11/02/1073141102.db2.gz POUWOWSHCYYATJ-KRWDZBQOSA-N 1 1 434.589 0.146 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001615888420 1073141201 /nfs/dbraw/zinc/14/12/01/1073141201.db2.gz QSBLQPOHBWEBJX-JOCHJYFZSA-N 1 1 448.616 0.406 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001615888422 1073141019 /nfs/dbraw/zinc/14/10/19/1073141019.db2.gz QSBLQPOHBWEBJX-QFIPXVFZSA-N 1 1 448.616 0.406 20 0 ICADMO CC[NH+]1CCN(CCCCn2c(Cc3ccncc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001615888955 1073141144 /nfs/dbraw/zinc/14/11/44/1073141144.db2.gz OQHOALYBPUZVHI-UHFFFAOYSA-N 1 1 440.596 0.960 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001615889102 1073141064 /nfs/dbraw/zinc/14/10/64/1073141064.db2.gz XGFVDSWWWAIWSD-KRWDZBQOSA-N 1 1 434.589 0.111 20 0 ICADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001615889103 1073141222 /nfs/dbraw/zinc/14/12/22/1073141222.db2.gz XGFVDSWWWAIWSD-QGZVFWFLSA-N 1 1 434.589 0.111 20 0 ICADMO CC[NH+]1CCN(CCCCn2c(C3CC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001615889384 1073141188 /nfs/dbraw/zinc/14/11/88/1073141188.db2.gz UHWURPDXLAPDQP-FQEVSTJZSA-N 1 1 433.601 0.915 20 0 ICADMO CC[NH+]1CCN(CCCCn2c(C3CC3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001615889385 1073141001 /nfs/dbraw/zinc/14/10/01/1073141001.db2.gz UHWURPDXLAPDQP-HXUWFJFHSA-N 1 1 433.601 0.915 20 0 ICADMO CCN1CC[NH+](CCCn2c(C)nnc2N2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC001615889482 1073141153 /nfs/dbraw/zinc/14/11/53/1073141153.db2.gz PYFVVWUJKAGULN-UHFFFAOYSA-N 1 1 427.619 0.380 20 0 ICADMO CCN1CC[NH+](CCCn2c(C)nnc2N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC001615889585 1073141722 /nfs/dbraw/zinc/14/17/22/1073141722.db2.gz SJFMEINDMDARAO-FQEVSTJZSA-N 1 1 446.644 0.747 20 0 ICADMO CCN1CC[NH+](CCCn2c(C)nnc2N2CCN([C@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC001615889586 1073141617 /nfs/dbraw/zinc/14/16/17/1073141617.db2.gz SJFMEINDMDARAO-HXUWFJFHSA-N 1 1 446.644 0.747 20 0 ICADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001615889656 1073141553 /nfs/dbraw/zinc/14/15/53/1073141553.db2.gz YMIZKRUTGVIUFM-IBGZPJMESA-N 1 1 448.616 0.661 20 0 ICADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001615889659 1073141650 /nfs/dbraw/zinc/14/16/50/1073141650.db2.gz YMIZKRUTGVIUFM-LJQANCHMSA-N 1 1 448.616 0.661 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001615892753 1073141524 /nfs/dbraw/zinc/14/15/24/1073141524.db2.gz FJPDPXQKHFNODO-GOSISDBHSA-N 1 1 443.600 0.798 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001615892754 1073141484 /nfs/dbraw/zinc/14/14/84/1073141484.db2.gz FJPDPXQKHFNODO-SFHVURJKSA-N 1 1 443.600 0.798 20 0 ICADMO CCN1CC[NH+](CCCn2c(C3CCC3)nnc2N2CCN(CCOC)C(=O)C2)CC1 ZINC001615892849 1073141678 /nfs/dbraw/zinc/14/16/78/1073141678.db2.gz ICXRTRFIJUWVEX-UHFFFAOYSA-N 1 1 433.601 0.868 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3ccccn3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001615892886 1073141665 /nfs/dbraw/zinc/14/16/65/1073141665.db2.gz JIRSAFRBIHVCTQ-IBGZPJMESA-N 1 1 442.568 0.319 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3ccccn3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001615892887 1073141500 /nfs/dbraw/zinc/14/15/00/1073141500.db2.gz JIRSAFRBIHVCTQ-LJQANCHMSA-N 1 1 442.568 0.319 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3ccc[nH]3)nnc2N2CCC(OCC(N)=O)CC2)CC1 ZINC001615893006 1073141691 /nfs/dbraw/zinc/14/16/91/1073141691.db2.gz MHMTZXHYBWIFPK-UHFFFAOYSA-N 1 1 444.584 0.772 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001615893024 1073141639 /nfs/dbraw/zinc/14/16/39/1073141639.db2.gz MVOCRJQIFBYDNX-GOSISDBHSA-N 1 1 430.557 0.252 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001615893025 1073141511 /nfs/dbraw/zinc/14/15/11/1073141511.db2.gz MVOCRJQIFBYDNX-SFHVURJKSA-N 1 1 430.557 0.252 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001615893283 1073142295 /nfs/dbraw/zinc/14/22/95/1073142295.db2.gz VLWCQXBYQDZCQT-GOSISDBHSA-N 1 1 443.600 0.669 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001615893284 1073142270 /nfs/dbraw/zinc/14/22/70/1073142270.db2.gz VLWCQXBYQDZCQT-SFHVURJKSA-N 1 1 443.600 0.669 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3cnccn3)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001615893302 1073142420 /nfs/dbraw/zinc/14/24/20/1073142420.db2.gz VXKDPRVTHJZBPI-KRWDZBQOSA-N 1 1 428.541 0.762 20 0 ICADMO CC[NH+]1CCN(CCCn2c(-c3cnccn3)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001615893303 1073142229 /nfs/dbraw/zinc/14/22/29/1073142229.db2.gz VXKDPRVTHJZBPI-QGZVFWFLSA-N 1 1 428.541 0.762 20 0 ICADMO CCN1CC[NH+](CCCn2c(Cc3ccccn3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001615893454 1073142254 /nfs/dbraw/zinc/14/22/54/1073142254.db2.gz ANNSNJKGIGCMTJ-IBGZPJMESA-N 1 1 440.596 0.958 20 0 ICADMO CCN1CC[NH+](CCCn2c(Cc3ccccn3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001615893455 1073142398 /nfs/dbraw/zinc/14/23/98/1073142398.db2.gz ANNSNJKGIGCMTJ-LJQANCHMSA-N 1 1 440.596 0.958 20 0 ICADMO CCN1CC[NH+](CCCn2c(Cc3ccncc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001615893478 1073142307 /nfs/dbraw/zinc/14/23/07/1073142307.db2.gz BMZZWGTVQDFKFS-HXUWFJFHSA-N 1 1 440.596 0.993 20 0 ICADMO C[N@@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC001615893963 1073142371 /nfs/dbraw/zinc/14/23/71/1073142371.db2.gz GVRKYRIREQFMIZ-MSOLQXFVSA-N 1 1 445.607 0.670 20 0 ICADMO C[N@@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC001615893964 1073142326 /nfs/dbraw/zinc/14/23/26/1073142326.db2.gz GVRKYRIREQFMIZ-QZTJIDSGSA-N 1 1 445.607 0.670 20 0 ICADMO C[N@@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC001615893965 1073142433 /nfs/dbraw/zinc/14/24/33/1073142433.db2.gz GVRKYRIREQFMIZ-ROUUACIJSA-N 1 1 445.607 0.670 20 0 ICADMO CCN1CC[NH+](CCCn2c(Cc3cccnc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001615894138 1073142357 /nfs/dbraw/zinc/14/23/57/1073142357.db2.gz IVOWZQULXNDQRW-IBGZPJMESA-N 1 1 440.596 0.958 20 0 ICADMO CCN1CC[NH+](CCCn2c(Cc3cccnc3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001615894140 1073142413 /nfs/dbraw/zinc/14/24/13/1073142413.db2.gz IVOWZQULXNDQRW-LJQANCHMSA-N 1 1 440.596 0.958 20 0 ICADMO CCN1CC[NH+](CCCn2c([C@H]3CCOC3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001615894190 1073142282 /nfs/dbraw/zinc/14/22/82/1073142282.db2.gz JMWACTZPMYMUMJ-AVRDEDQJSA-N 1 1 433.601 0.772 20 0 ICADMO CCN1CC[NH+](CCCn2c([C@@H]3CCOC3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001615894191 1073142383 /nfs/dbraw/zinc/14/23/83/1073142383.db2.gz JMWACTZPMYMUMJ-GCJKJVERSA-N 1 1 433.601 0.772 20 0 ICADMO CCN1CC[NH+](CCCn2c([C@H]3CCOC3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001615894192 1073142424 /nfs/dbraw/zinc/14/24/24/1073142424.db2.gz JMWACTZPMYMUMJ-PGRDOPGGSA-N 1 1 433.601 0.772 20 0 ICADMO CCN1CC[NH+](CCCn2c([C@@H]3CCOC3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001615894193 1073142903 /nfs/dbraw/zinc/14/29/03/1073142903.db2.gz JMWACTZPMYMUMJ-XMSQKQJNSA-N 1 1 433.601 0.772 20 0 ICADMO C[N@@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC001615894205 1073142428 /nfs/dbraw/zinc/14/24/28/1073142428.db2.gz GVRKYRIREQFMIZ-ZWKOTPCHSA-N 1 1 445.607 0.670 20 0 ICADMO CCN1CC[NH+](CCCn2c(CC3CC3)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001615895892 1073142667 /nfs/dbraw/zinc/14/26/67/1073142667.db2.gz USRNOFFCRGUTFC-RTBURBONSA-N 1 1 434.585 0.618 20 0 ICADMO CCN1CC[NH+](CCCn2c(N3CCNC(=O)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001615896970 1073142804 /nfs/dbraw/zinc/14/28/04/1073142804.db2.gz PREYVRPXHGVIGI-JOCHJYFZSA-N 1 1 449.600 0.283 20 0 ICADMO CCN1CC[NH+](CCCn2c(N3CCNC(=O)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001615896972 1073142772 /nfs/dbraw/zinc/14/27/72/1073142772.db2.gz PREYVRPXHGVIGI-QFIPXVFZSA-N 1 1 449.600 0.283 20 0 ICADMO C[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)CN1CC[NH+](C)CC1 ZINC001615911217 1073145135 /nfs/dbraw/zinc/14/51/35/1073145135.db2.gz BTZQHUIRJCROHD-KRWDZBQOSA-N 1 1 438.594 0.445 20 0 ICADMO 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C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CCO[C@@H]3CNC(=O)OC(C)(C)C)CC2)CC1 ZINC001616265739 1073198554 /nfs/dbraw/zinc/19/85/54/1073198554.db2.gz OPLCYLLLZANKAN-DLBZAZTESA-N 1 1 439.557 0.428 20 0 ICADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CCO[C@@H]3CNC(=O)OC(C)(C)C)CC2)CC1 ZINC001616265740 1073199018 /nfs/dbraw/zinc/19/90/18/1073199018.db2.gz OPLCYLLLZANKAN-IAGOWNOFSA-N 1 1 439.557 0.428 20 0 ICADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CCO[C@H]3CNC(=O)OC(C)(C)C)CC2)CC1 ZINC001616265741 1073198818 /nfs/dbraw/zinc/19/88/18/1073198818.db2.gz OPLCYLLLZANKAN-IRXDYDNUSA-N 1 1 439.557 0.428 20 0 ICADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CCO[C@H]3CNC(=O)OC(C)(C)C)CC2)CC1 ZINC001616265742 1073198920 /nfs/dbraw/zinc/19/89/20/1073198920.db2.gz OPLCYLLLZANKAN-SJORKVTESA-N 1 1 439.557 0.428 20 0 ICADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)CN3c4ccccc4OC(F)(F)C3=O)CC2)CC1 ZINC001616265924 1073198949 /nfs/dbraw/zinc/19/89/49/1073198949.db2.gz SXOIUFDCVLSZAX-UHFFFAOYSA-N 1 1 437.447 0.516 20 0 ICADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)Cc3ccc(S(=O)(=O)C(F)F)cc3)CC2)CC1 ZINC001616265925 1073199049 /nfs/dbraw/zinc/19/90/49/1073199049.db2.gz SYBKGYZLEZGZJI-UHFFFAOYSA-N 1 1 444.504 0.737 20 0 ICADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@]3(C)CN(C(=O)OC(C)(C)C)CCO3)CC2)CC1 ZINC001616266120 1073198981 /nfs/dbraw/zinc/19/89/81/1073198981.db2.gz XMIPHWZDLXMCDY-NRFANRHFSA-N 1 1 439.557 0.524 20 0 ICADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@]3(C)CN(C(=O)OC(C)(C)C)CCO3)CC2)CC1 ZINC001616266121 1073199037 /nfs/dbraw/zinc/19/90/37/1073199037.db2.gz XMIPHWZDLXMCDY-OAQYLSRUSA-N 1 1 439.557 0.524 20 0 ICADMO Cc1noc(COc2ccc(C(=O)N3CCN(C(=O)N4CC[NH+](C)CC4)CC3)cn2)n1 ZINC001616266130 1073198908 /nfs/dbraw/zinc/19/89/08/1073198908.db2.gz XUYQHRMTFXWAPC-UHFFFAOYSA-N 1 1 429.481 0.477 20 0 ICADMO CCO[C@@]1(c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CCC[N@H+]2CC)CCOC1 ZINC001616267226 1073199868 /nfs/dbraw/zinc/19/98/68/1073199868.db2.gz IFWBAZKVBNILLS-APWZRJJASA-N 1 1 427.571 0.649 20 0 ICADMO CCO[C@@]1(c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CCC[N@@H+]2CC)CCOC1 ZINC001616267226 1073199860 /nfs/dbraw/zinc/19/98/60/1073199860.db2.gz IFWBAZKVBNILLS-APWZRJJASA-N 1 1 427.571 0.649 20 0 ICADMO CCO[C@@]1(c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCC[N@H+]2CC)CCOC1 ZINC001616267231 1073199757 /nfs/dbraw/zinc/19/97/57/1073199757.db2.gz IFWBAZKVBNILLS-LPHOPBHVSA-N 1 1 427.571 0.649 20 0 ICADMO CCO[C@@]1(c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCC[N@@H+]2CC)CCOC1 ZINC001616267231 1073199742 /nfs/dbraw/zinc/19/97/42/1073199742.db2.gz IFWBAZKVBNILLS-LPHOPBHVSA-N 1 1 427.571 0.649 20 0 ICADMO CCO[C@]1(c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCC[N@H+]2CC)CCOC1 ZINC001616267232 1073199828 /nfs/dbraw/zinc/19/98/28/1073199828.db2.gz IFWBAZKVBNILLS-QFBILLFUSA-N 1 1 427.571 0.649 20 0 ICADMO CCO[C@]1(c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCC[N@@H+]2CC)CCOC1 ZINC001616267232 1073199823 /nfs/dbraw/zinc/19/98/23/1073199823.db2.gz IFWBAZKVBNILLS-QFBILLFUSA-N 1 1 427.571 0.649 20 0 ICADMO CCO[C@]1(c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CCC[N@H+]2CC)CCOC1 ZINC001616267233 1073200008 /nfs/dbraw/zinc/20/00/08/1073200008.db2.gz IFWBAZKVBNILLS-VQIMIIECSA-N 1 1 427.571 0.649 20 0 ICADMO CCO[C@]1(c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CCC[N@@H+]2CC)CCOC1 ZINC001616267233 1073200002 /nfs/dbraw/zinc/20/00/02/1073200002.db2.gz IFWBAZKVBNILLS-VQIMIIECSA-N 1 1 427.571 0.649 20 0 ICADMO CN1CCn2ncc(C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)c2S1(=O)=O ZINC001616273753 1073200848 /nfs/dbraw/zinc/20/08/48/1073200848.db2.gz SSQBHYAAUPJBEP-KRWDZBQOSA-N 1 1 433.534 0.538 20 0 ICADMO CN1CCn2ncc(C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)c2S1(=O)=O ZINC001616273754 1073200752 /nfs/dbraw/zinc/20/07/52/1073200752.db2.gz SSQBHYAAUPJBEP-QGZVFWFLSA-N 1 1 433.534 0.538 20 0 ICADMO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NC2CCN(CCS(C)(=O)=O)CC2)CC1 ZINC001616317348 1073203869 /nfs/dbraw/zinc/20/38/69/1073203869.db2.gz VPKYVCXVSKJACO-UHFFFAOYSA-N 1 1 446.614 0.601 20 0 ICADMO CCOc1ccc(-c2nnc(N3CCS(=O)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001616367991 1073206979 /nfs/dbraw/zinc/20/69/79/1073206979.db2.gz NLTFACZWNMMXRK-NRFANRHFSA-N 1 1 449.577 0.988 20 0 ICADMO CCOc1ccc(-c2nnc(N3CCS(=O)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001616367992 1073206932 /nfs/dbraw/zinc/20/69/32/1073206932.db2.gz NLTFACZWNMMXRK-OAQYLSRUSA-N 1 1 449.577 0.988 20 0 ICADMO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001616442331 1073208463 /nfs/dbraw/zinc/20/84/63/1073208463.db2.gz TZMCUNJJPGELBE-HOJAQTOUSA-N 1 1 438.594 0.566 20 0 ICADMO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001616442332 1073208401 /nfs/dbraw/zinc/20/84/01/1073208401.db2.gz TZMCUNJJPGELBE-MISYRCLQSA-N 1 1 438.594 0.566 20 0 ICADMO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001616442333 1073208558 /nfs/dbraw/zinc/20/85/58/1073208558.db2.gz TZMCUNJJPGELBE-RLLQIKCJSA-N 1 1 438.594 0.566 20 0 ICADMO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001616442334 1073208535 /nfs/dbraw/zinc/20/85/35/1073208535.db2.gz TZMCUNJJPGELBE-YZGWKJHDSA-N 1 1 438.594 0.566 20 0 ICADMO COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001616471634 1073209972 /nfs/dbraw/zinc/20/99/72/1073209972.db2.gz NCHLIOXJCUNXKD-GBXCKJPGSA-N 1 1 446.592 0.699 20 0 ICADMO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001616471635 1073210149 /nfs/dbraw/zinc/21/01/49/1073210149.db2.gz NCHLIOXJCUNXKD-HYBUGGRVSA-N 1 1 446.592 0.699 20 0 ICADMO COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001616471636 1073210039 /nfs/dbraw/zinc/21/00/39/1073210039.db2.gz NCHLIOXJCUNXKD-RDPSFJRHSA-N 1 1 446.592 0.699 20 0 ICADMO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001616471637 1073209881 /nfs/dbraw/zinc/20/98/81/1073209881.db2.gz NCHLIOXJCUNXKD-YKSBVNFPSA-N 1 1 446.592 0.699 20 0 ICADMO COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@]2([NH+](C)C)COc3ccccc3C2)CC1 ZINC001616471887 1073209902 /nfs/dbraw/zinc/20/99/02/1073209902.db2.gz QTKQETMMSLHCOZ-FDDCHVKYSA-N 1 1 432.565 0.607 20 0 ICADMO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@]2([NH+](C)C)COc3ccccc3C2)CC1 ZINC001616471919 1073209924 /nfs/dbraw/zinc/20/99/24/1073209924.db2.gz QTKQETMMSLHCOZ-JPYJTQIMSA-N 1 1 432.565 0.607 20 0 ICADMO COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@@]2([NH+](C)C)COc3ccccc3C2)CC1 ZINC001616471921 1073209870 /nfs/dbraw/zinc/20/98/70/1073209870.db2.gz QTKQETMMSLHCOZ-MBSDFSHPSA-N 1 1 432.565 0.607 20 0 ICADMO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@]2([NH+](C)C)COc3ccccc3C2)CC1 ZINC001616471924 1073210095 /nfs/dbraw/zinc/21/00/95/1073210095.db2.gz QTKQETMMSLHCOZ-WZONZLPQSA-N 1 1 432.565 0.607 20 0 ICADMO CC1(C)CN(C(=O)Cn2nc(Br)c(Br)n2)CC[N@H+]1CCO ZINC001616479639 1073210437 /nfs/dbraw/zinc/21/04/37/1073210437.db2.gz HURKDQCBESNYFV-UHFFFAOYSA-N 1 1 425.125 0.718 20 0 ICADMO CC1(C)CN(C(=O)Cn2nc(Br)c(Br)n2)CC[N@@H+]1CCO ZINC001616479639 1073210427 /nfs/dbraw/zinc/21/04/27/1073210427.db2.gz HURKDQCBESNYFV-UHFFFAOYSA-N 1 1 425.125 0.718 20 0 ICADMO CCOc1ccnc(N2CCN(c3nnc(C(C)C)n3C[C@]3(O)CC[N@@H+](C)C3)CC2)n1 ZINC001616495631 1073211009 /nfs/dbraw/zinc/21/10/09/1073211009.db2.gz UGPZTKHCFFQGSY-NRFANRHFSA-N 1 1 430.557 0.983 20 0 ICADMO CCOc1ccnc(N2CCN(c3nnc(C(C)C)n3C[C@@]3(O)CC[N@@H+](C)C3)CC2)n1 ZINC001616495633 1073211166 /nfs/dbraw/zinc/21/11/66/1073211166.db2.gz UGPZTKHCFFQGSY-OAQYLSRUSA-N 1 1 430.557 0.983 20 0 ICADMO C[NH+]1CCN(Cc2ccc(C(=O)NCCS(=O)(=O)N3CCSCC3)s2)CC1 ZINC001616511155 1073212273 /nfs/dbraw/zinc/21/22/73/1073212273.db2.gz OTDOKXFRRLBZTQ-UHFFFAOYSA-N 1 1 432.637 0.604 20 0 ICADMO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001616518671 1073213341 /nfs/dbraw/zinc/21/33/41/1073213341.db2.gz PDPBVTRZVLIYDW-BCOMRZATSA-N 1 1 430.615 0.887 20 0 ICADMO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C1([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001616518672 1073213394 /nfs/dbraw/zinc/21/33/94/1073213394.db2.gz PDPBVTRZVLIYDW-GUNSETOZSA-N 1 1 430.615 0.887 20 0 ICADMO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C1([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001616518673 1073213182 /nfs/dbraw/zinc/21/31/82/1073213182.db2.gz PDPBVTRZVLIYDW-HYDGNGQDSA-N 1 1 430.615 0.887 20 0 ICADMO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001616518674 1073213229 /nfs/dbraw/zinc/21/32/29/1073213229.db2.gz PDPBVTRZVLIYDW-OFJJUDJNSA-N 1 1 430.615 0.887 20 0 ICADMO CCOC1CC(Cn2c(C)nnc2N2CCC(OCC(N)=O)CC2)([NH+]2CCOCC2)C1 ZINC001616523098 1073213113 /nfs/dbraw/zinc/21/31/13/1073213113.db2.gz LDVUXQVWSFGGHM-UHFFFAOYSA-N 1 1 436.557 0.327 20 0 ICADMO O=C(Cc1n[nH]c(C2CCOCC2)n1)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001616527151 1073213623 /nfs/dbraw/zinc/21/36/23/1073213623.db2.gz SFMDJVPTMSRGIO-UHFFFAOYSA-N 1 1 428.541 0.750 20 0 ICADMO O=C(CC[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)Nc1ccc2c(c1)OCO2 ZINC001616538110 1073213747 /nfs/dbraw/zinc/21/37/47/1073213747.db2.gz GEZHVGMOTPHGFG-INIZCTEOSA-N 1 1 425.507 0.870 20 0 ICADMO O=C(CC[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)Nc1ccc2c(c1)OCO2 ZINC001616538113 1073213781 /nfs/dbraw/zinc/21/37/81/1073213781.db2.gz GEZHVGMOTPHGFG-MRXNPFEDSA-N 1 1 425.507 0.870 20 0 ICADMO CN(C[C@](C)(O)C[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001616548407 1073214163 /nfs/dbraw/zinc/21/41/63/1073214163.db2.gz GOZJHTAJKWOWPK-APWZRJJASA-N 1 1 435.587 0.731 20 0 ICADMO CN(C[C@](C)(O)C[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001616548409 1073214060 /nfs/dbraw/zinc/21/40/60/1073214060.db2.gz GOZJHTAJKWOWPK-LPHOPBHVSA-N 1 1 435.587 0.731 20 0 ICADMO CN(C[C@@](C)(O)C[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001616548411 1073214196 /nfs/dbraw/zinc/21/41/96/1073214196.db2.gz GOZJHTAJKWOWPK-QFBILLFUSA-N 1 1 435.587 0.731 20 0 ICADMO CN(C[C@@](C)(O)C[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001616548413 1073214097 /nfs/dbraw/zinc/21/40/97/1073214097.db2.gz GOZJHTAJKWOWPK-VQIMIIECSA-N 1 1 435.587 0.731 20 0 ICADMO CCOC1CC(O)(Cn2c(-c3cnccn3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC001616571259 1073215649 /nfs/dbraw/zinc/21/56/49/1073215649.db2.gz KPSPPTCKLMVKAC-BQJIDLTASA-N 1 1 431.541 0.822 20 0 ICADMO CCOC1CC(O)(Cn2c(-c3cnccn3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)C1 ZINC001616571260 1073215751 /nfs/dbraw/zinc/21/57/51/1073215751.db2.gz KPSPPTCKLMVKAC-ZGGTZUKQSA-N 1 1 431.541 0.822 20 0 ICADMO CCOC1CC(O)(Cn2c(Cc3cccnc3)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001616572756 1073216021 /nfs/dbraw/zinc/21/60/21/1073216021.db2.gz CZRBTWKQRCNHLP-UHFFFAOYSA-N 1 1 430.553 0.962 20 0 ICADMO CCOC1CC(O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)C1 ZINC001616576434 1073216658 /nfs/dbraw/zinc/21/66/58/1073216658.db2.gz SAXQYAMWBYPQOF-BAQZJKQNSA-N 1 1 436.557 0.316 20 0 ICADMO CCOC1CC(O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC001616576435 1073216471 /nfs/dbraw/zinc/21/64/71/1073216471.db2.gz SAXQYAMWBYPQOF-CLIJALBYSA-N 1 1 436.557 0.316 20 0 ICADMO CCOC1CC(O)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC001616576436 1073216394 /nfs/dbraw/zinc/21/63/94/1073216394.db2.gz SAXQYAMWBYPQOF-DILDSAGESA-N 1 1 436.557 0.316 20 0 ICADMO CCOC1CC(O)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)C1 ZINC001616576437 1073216599 /nfs/dbraw/zinc/21/65/99/1073216599.db2.gz SAXQYAMWBYPQOF-HRXNXTQESA-N 1 1 436.557 0.316 20 0 ICADMO CCOC1CC(O)(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001616578194 1073217071 /nfs/dbraw/zinc/21/70/71/1073217071.db2.gz FZBLRZVGLMXMEM-UHFFFAOYSA-N 1 1 447.584 0.838 20 0 ICADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)Cc3csc(N4CCOCC4)n3)CC2)CC1 ZINC001616579209 1073217079 /nfs/dbraw/zinc/21/70/79/1073217079.db2.gz FZQHYLJAPBJNNV-UHFFFAOYSA-N 1 1 435.594 0.925 20 0 ICADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)CC3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC001616579565 1073217061 /nfs/dbraw/zinc/21/70/61/1073217061.db2.gz LJGMBJPTLHDTBM-UHFFFAOYSA-N 1 1 428.599 0.451 20 0 ICADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H](O)[C@H](O)c3nc4ccccc4[nH]3)CC2)CC1 ZINC001616580267 1073216982 /nfs/dbraw/zinc/21/69/82/1073216982.db2.gz SKEHJVDLRISKJY-PMACEKPBSA-N 1 1 429.521 0.360 20 0 ICADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H](O)[C@@H](O)c3nc4ccccc4[nH]3)CC2)CC1 ZINC001616580268 1073217044 /nfs/dbraw/zinc/21/70/44/1073217044.db2.gz SKEHJVDLRISKJY-UXHICEINSA-N 1 1 429.521 0.360 20 0 ICADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H](O)[C@H](O)c3nc4ccccc4[nH]3)CC2)CC1 ZINC001616580269 1073216951 /nfs/dbraw/zinc/21/69/51/1073216951.db2.gz SKEHJVDLRISKJY-VQTJNVASSA-N 1 1 429.521 0.360 20 0 ICADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H](O)[C@@H](O)c3nc4ccccc4[nH]3)CC2)CC1 ZINC001616580271 1073217019 /nfs/dbraw/zinc/21/70/19/1073217019.db2.gz SKEHJVDLRISKJY-WOJBJXKFSA-N 1 1 429.521 0.360 20 0 ICADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)CNS(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC001616581027 1073217443 /nfs/dbraw/zinc/21/74/43/1073217443.db2.gz ZFCWIQUDQXHCMP-UHFFFAOYSA-N 1 1 440.541 0.507 20 0 ICADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3nnc(C(C)(C)S(C)(=O)=O)o3)CC2)CC1 ZINC001616587842 1073217778 /nfs/dbraw/zinc/21/77/78/1073217778.db2.gz KFEGMFQCDXLWHV-UHFFFAOYSA-N 1 1 441.554 0.366 20 0 ICADMO CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001616588098 1073217656 /nfs/dbraw/zinc/21/76/56/1073217656.db2.gz UZLZRKWHNXOMHE-KRWDZBQOSA-N 1 1 426.558 0.929 20 0 ICADMO CCOCc1nnc(N(C)CC(=O)N2CCOCC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001616673714 1073221035 /nfs/dbraw/zinc/22/10/35/1073221035.db2.gz YIQNGVOSCUREFX-UHFFFAOYSA-N 1 1 437.589 0.136 20 0 ICADMO NS(=O)(=O)N1CCC[C@@H](C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)C1 ZINC001616675469 1073221013 /nfs/dbraw/zinc/22/10/13/1073221013.db2.gz VDNRSFPKPYIWAU-GOSISDBHSA-N 1 1 425.555 0.048 20 0 ICADMO NS(=O)(=O)N1CCC[C@H](C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)C1 ZINC001616675470 1073220996 /nfs/dbraw/zinc/22/09/96/1073220996.db2.gz VDNRSFPKPYIWAU-SFHVURJKSA-N 1 1 425.555 0.048 20 0 ICADMO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC001616723699 1073223191 /nfs/dbraw/zinc/22/31/91/1073223191.db2.gz DWGAKXHYBCYRPO-UHFFFAOYSA-N 1 1 427.490 0.697 20 0 ICADMO CCOCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCc1ccn(C)n1 ZINC001616725234 1073223215 /nfs/dbraw/zinc/22/32/15/1073223215.db2.gz BLNLRHUFOXGTJY-FXAWDEMLSA-N 1 1 444.584 0.780 20 0 ICADMO CCOCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CCc1ccn(C)n1 ZINC001616725236 1073223104 /nfs/dbraw/zinc/22/31/04/1073223104.db2.gz BLNLRHUFOXGTJY-PXNSSMCTSA-N 1 1 444.584 0.780 20 0 ICADMO CCOCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCc1ccn(C)n1 ZINC001616725238 1073223140 /nfs/dbraw/zinc/22/31/40/1073223140.db2.gz BLNLRHUFOXGTJY-XLIONFOSSA-N 1 1 444.584 0.780 20 0 ICADMO CCOCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCc1ccn(C)n1 ZINC001616725241 1073223098 /nfs/dbraw/zinc/22/30/98/1073223098.db2.gz BLNLRHUFOXGTJY-YLJYHZDGSA-N 1 1 444.584 0.780 20 0 ICADMO CCOCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@](C)(O)C1CC1 ZINC001616726831 1073223541 /nfs/dbraw/zinc/22/35/41/1073223541.db2.gz QAHLNUJEVZORBB-BPXKWBHBSA-N 1 1 434.585 0.964 20 0 ICADMO CCOCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1C[C@@](C)(O)C1CC1 ZINC001616726832 1073223554 /nfs/dbraw/zinc/22/35/54/1073223554.db2.gz QAHLNUJEVZORBB-DKZVUGQWSA-N 1 1 434.585 0.964 20 0 ICADMO CCOCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1C[C@](C)(O)C1CC1 ZINC001616726833 1073223536 /nfs/dbraw/zinc/22/35/36/1073223536.db2.gz QAHLNUJEVZORBB-NBCNXNJRSA-N 1 1 434.585 0.964 20 0 ICADMO CCOCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@](C)(O)C1CC1 ZINC001616726834 1073223492 /nfs/dbraw/zinc/22/34/92/1073223492.db2.gz QAHLNUJEVZORBB-XWFZLUIHSA-N 1 1 434.585 0.964 20 0 ICADMO CCOCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCCNC(C)=O ZINC001616727015 1073223467 /nfs/dbraw/zinc/22/34/67/1073223467.db2.gz SHZLHXOCJQRXHX-FXAWDEMLSA-N 1 1 449.600 0.720 20 0 ICADMO CCOCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCCNC(C)=O ZINC001616727016 1073223518 /nfs/dbraw/zinc/22/35/18/1073223518.db2.gz SHZLHXOCJQRXHX-PXNSSMCTSA-N 1 1 449.600 0.720 20 0 ICADMO CCOCc1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCCNC(C)=O ZINC001616727017 1073223559 /nfs/dbraw/zinc/22/35/59/1073223559.db2.gz SHZLHXOCJQRXHX-XLIONFOSSA-N 1 1 449.600 0.720 20 0 ICADMO CCOCc1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCCNC(C)=O ZINC001616727018 1073223446 /nfs/dbraw/zinc/22/34/46/1073223446.db2.gz SHZLHXOCJQRXHX-YLJYHZDGSA-N 1 1 449.600 0.720 20 0 ICADMO CCOCc1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001616765597 1073225560 /nfs/dbraw/zinc/22/55/60/1073225560.db2.gz QUFIUNDOOTWHEY-DENIHFKCSA-N 1 1 436.601 0.962 20 0 ICADMO CCOCc1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001616765600 1073225471 /nfs/dbraw/zinc/22/54/71/1073225471.db2.gz QUFIUNDOOTWHEY-KNQAVFIVSA-N 1 1 436.601 0.962 20 0 ICADMO CCOCc1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001616765601 1073225439 /nfs/dbraw/zinc/22/54/39/1073225439.db2.gz QUFIUNDOOTWHEY-SIKLNZKXSA-N 1 1 436.601 0.962 20 0 ICADMO CCOCc1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001616765605 1073225322 /nfs/dbraw/zinc/22/53/22/1073225322.db2.gz QUFIUNDOOTWHEY-UGKGYDQZSA-N 1 1 436.601 0.962 20 0 ICADMO CCOCc1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001616766142 1073225422 /nfs/dbraw/zinc/22/54/22/1073225422.db2.gz XEIBRHUQWYRNEH-GOSISDBHSA-N 1 1 430.575 0.007 20 0 ICADMO CCOCc1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001616766145 1073225399 /nfs/dbraw/zinc/22/53/99/1073225399.db2.gz XEIBRHUQWYRNEH-SFHVURJKSA-N 1 1 430.575 0.007 20 0 ICADMO CCOCc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CC1(CS(C)(=O)=O)CC1 ZINC001616788820 1073226363 /nfs/dbraw/zinc/22/63/63/1073226363.db2.gz QEEWEOPSFLHXCQ-KRWDZBQOSA-N 1 1 441.598 0.798 20 0 ICADMO CCOCc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CC1(CS(C)(=O)=O)CC1 ZINC001616788821 1073226232 /nfs/dbraw/zinc/22/62/32/1073226232.db2.gz QEEWEOPSFLHXCQ-QGZVFWFLSA-N 1 1 441.598 0.798 20 0 ICADMO CCOCc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCNC(=O)c1ccn[nH]1 ZINC001616789582 1073226301 /nfs/dbraw/zinc/22/63/01/1073226301.db2.gz YPFQTHVZRLSULS-INIZCTEOSA-N 1 1 432.529 0.126 20 0 ICADMO CCOCc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCNC(=O)c1ccn[nH]1 ZINC001616789585 1073226327 /nfs/dbraw/zinc/22/63/27/1073226327.db2.gz YPFQTHVZRLSULS-MRXNPFEDSA-N 1 1 432.529 0.126 20 0 ICADMO CCOCc1nnc(N2CCC(N3CCNC3=O)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001616802636 1073227093 /nfs/dbraw/zinc/22/70/93/1073227093.db2.gz DFSCHRFHCFDAOK-UHFFFAOYSA-N 1 1 448.616 0.835 20 0 ICADMO CCOCc1nnc(N2CCC(OCC(N)=O)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001616816258 1073228524 /nfs/dbraw/zinc/22/85/24/1073228524.db2.gz URZKGCOFPPXJGM-UHFFFAOYSA-N 1 1 437.589 0.311 20 0 ICADMO CCOCc1nnc(N2CCC(S(C)(=O)=O)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001616819708 1073228348 /nfs/dbraw/zinc/22/83/48/1073228348.db2.gz YDRMOBWRVWAOSI-UHFFFAOYSA-N 1 1 442.630 0.856 20 0 ICADMO CCOCc1nnc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1CCS(=O)(=O)NC ZINC001616832099 1073229438 /nfs/dbraw/zinc/22/94/38/1073229438.db2.gz OTHWUTIPFHKWOO-DOTOQJQBSA-N 1 1 426.587 0.817 20 0 ICADMO CCOCc1nnc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1CCS(=O)(=O)NC ZINC001616832102 1073229294 /nfs/dbraw/zinc/22/92/94/1073229294.db2.gz OTHWUTIPFHKWOO-NVXWUHKLSA-N 1 1 426.587 0.817 20 0 ICADMO CCOCc1nnc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1CCS(=O)(=O)NC ZINC001616832104 1073229392 /nfs/dbraw/zinc/22/93/92/1073229392.db2.gz OTHWUTIPFHKWOO-RDJZCZTQSA-N 1 1 426.587 0.817 20 0 ICADMO CCOCc1nnc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1CCS(=O)(=O)NC ZINC001616832106 1073229307 /nfs/dbraw/zinc/22/93/07/1073229307.db2.gz OTHWUTIPFHKWOO-WBVHZDCISA-N 1 1 426.587 0.817 20 0 ICADMO CCOCc1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1C[C@H]1CCC[N@H+]1CC ZINC001616855687 1073230220 /nfs/dbraw/zinc/23/02/20/1073230220.db2.gz LJYPZPJBPZVFPF-CVEARBPZSA-N 1 1 431.545 0.831 20 0 ICADMO CCOCc1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1C[C@@H]1CCC[N@H+]1CC ZINC001616855692 1073230152 /nfs/dbraw/zinc/23/01/52/1073230152.db2.gz LJYPZPJBPZVFPF-HOTGVXAUSA-N 1 1 431.545 0.831 20 0 ICADMO CCOCc1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1C[C@H]1CCC[N@H+]1CC ZINC001616855694 1073230281 /nfs/dbraw/zinc/23/02/81/1073230281.db2.gz LJYPZPJBPZVFPF-HZPDHXFCSA-N 1 1 431.545 0.831 20 0 ICADMO CCOCc1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1C[C@@H]1CCC[N@H+]1CC ZINC001616855696 1073230167 /nfs/dbraw/zinc/23/01/67/1073230167.db2.gz LJYPZPJBPZVFPF-JKSUJKDBSA-N 1 1 431.545 0.831 20 0 ICADMO CCOCc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCn1cncn1 ZINC001616883186 1073232034 /nfs/dbraw/zinc/23/20/34/1073232034.db2.gz GEJDHRQIYHEGDL-UHFFFAOYSA-N 1 1 431.545 0.241 20 0 ICADMO CCOCc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCn1cncn1 ZINC001616883186 1073232033 /nfs/dbraw/zinc/23/20/33/1073232033.db2.gz GEJDHRQIYHEGDL-UHFFFAOYSA-N 1 1 431.545 0.241 20 0 ICADMO CCOCc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCNC(=O)C1CC1 ZINC001616883304 1073231911 /nfs/dbraw/zinc/23/19/11/1073231911.db2.gz IXCKFUFEFXPZFW-UHFFFAOYSA-N 1 1 447.584 0.475 20 0 ICADMO CCOCc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCNC(=O)C1CC1 ZINC001616883304 1073231903 /nfs/dbraw/zinc/23/19/03/1073231903.db2.gz IXCKFUFEFXPZFW-UHFFFAOYSA-N 1 1 447.584 0.475 20 0 ICADMO CCOCc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001616887567 1073232314 /nfs/dbraw/zinc/23/23/14/1073232314.db2.gz SQYFZZDJIWVZOP-INIZCTEOSA-N 1 1 426.587 0.771 20 0 ICADMO CCOCc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001616887568 1073232395 /nfs/dbraw/zinc/23/23/95/1073232395.db2.gz SQYFZZDJIWVZOP-MRXNPFEDSA-N 1 1 426.587 0.771 20 0 ICADMO O=C1CCc2cc(OC[C@H](O)C[NH+]3CCC(N4CCS(=O)(=O)CC4)CC3)ccc2N1 ZINC001616887584 1073232919 /nfs/dbraw/zinc/23/29/19/1073232919.db2.gz OONNJLUEVWXFSZ-GOSISDBHSA-N 1 1 437.562 0.506 20 0 ICADMO O=C1CCc2cc(OC[C@@H](O)C[NH+]3CCC(N4CCS(=O)(=O)CC4)CC3)ccc2N1 ZINC001616887585 1073232852 /nfs/dbraw/zinc/23/28/52/1073232852.db2.gz OONNJLUEVWXFSZ-SFHVURJKSA-N 1 1 437.562 0.506 20 0 ICADMO CCOCc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001616887618 1073232790 /nfs/dbraw/zinc/23/27/90/1073232790.db2.gz SWEWIGZRCQDXQW-UHFFFAOYSA-N 1 1 444.602 0.397 20 0 ICADMO CCOCc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001616887618 1073232787 /nfs/dbraw/zinc/23/27/87/1073232787.db2.gz SWEWIGZRCQDXQW-UHFFFAOYSA-N 1 1 444.602 0.397 20 0 ICADMO CCOCc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001616890819 1073232705 /nfs/dbraw/zinc/23/27/05/1073232705.db2.gz AAJODNXYIDMSFV-UHFFFAOYSA-N 1 1 433.557 0.250 20 0 ICADMO CCOCc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CC[N@@H+](CC)C(C)C ZINC001616891007 1073232807 /nfs/dbraw/zinc/23/28/07/1073232807.db2.gz FVRMFLRDMWVSBW-UHFFFAOYSA-N 1 1 437.589 0.718 20 0 ICADMO CCOCc1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001616891278 1073233299 /nfs/dbraw/zinc/23/32/99/1073233299.db2.gz QHDMPDZJAKKGKJ-GOSISDBHSA-N 1 1 447.584 0.427 20 0 ICADMO CCOCc1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001616891279 1073233378 /nfs/dbraw/zinc/23/33/78/1073233378.db2.gz QHDMPDZJAKKGKJ-SFHVURJKSA-N 1 1 447.584 0.427 20 0 ICADMO O=C(CC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001616892733 1073233420 /nfs/dbraw/zinc/23/34/20/1073233420.db2.gz ROKOTBLLQBLJID-INIZCTEOSA-N 1 1 435.506 0.036 20 0 ICADMO O=C(CC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001616892733 1073233413 /nfs/dbraw/zinc/23/34/13/1073233413.db2.gz ROKOTBLLQBLJID-INIZCTEOSA-N 1 1 435.506 0.036 20 0 ICADMO O=C(CC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001616892737 1073233342 /nfs/dbraw/zinc/23/33/42/1073233342.db2.gz ROKOTBLLQBLJID-MRXNPFEDSA-N 1 1 435.506 0.036 20 0 ICADMO O=C(CC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001616892737 1073233331 /nfs/dbraw/zinc/23/33/31/1073233331.db2.gz ROKOTBLLQBLJID-MRXNPFEDSA-N 1 1 435.506 0.036 20 0 ICADMO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCNC(=O)C(C)(C)C ZINC001616896579 1073233672 /nfs/dbraw/zinc/23/36/72/1073233672.db2.gz DEFSLQVYCVETQU-KRWDZBQOSA-N 1 1 449.600 0.720 20 0 ICADMO CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCNC(=O)C(C)(C)C ZINC001616896673 1073233783 /nfs/dbraw/zinc/23/37/83/1073233783.db2.gz DEFSLQVYCVETQU-QGZVFWFLSA-N 1 1 449.600 0.720 20 0 ICADMO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCc1nccnc1C ZINC001616897061 1073234143 /nfs/dbraw/zinc/23/41/43/1073234143.db2.gz IWFQEMHXSDEPJE-IBGZPJMESA-N 1 1 442.568 0.899 20 0 ICADMO CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCc1nccnc1C ZINC001616897064 1073234444 /nfs/dbraw/zinc/23/44/44/1073234444.db2.gz IWFQEMHXSDEPJE-LJQANCHMSA-N 1 1 442.568 0.899 20 0 ICADMO CC1=C(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)[C@@H](C)n2nnnc2N1C ZINC001616897285 1073234322 /nfs/dbraw/zinc/23/43/22/1073234322.db2.gz OXYIHJCTEDEGCU-CRAIPNDOSA-N 1 1 438.536 0.972 20 0 ICADMO CC1=C(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)[C@H](C)n2nnnc2N1C ZINC001616897292 1073234218 /nfs/dbraw/zinc/23/42/18/1073234218.db2.gz OXYIHJCTEDEGCU-MAUKXSAKSA-N 1 1 438.536 0.972 20 0 ICADMO CC1=C(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)[C@@H](C)n2nnnc2N1C ZINC001616897295 1073234237 /nfs/dbraw/zinc/23/42/37/1073234237.db2.gz OXYIHJCTEDEGCU-QAPCUYQASA-N 1 1 438.536 0.972 20 0 ICADMO CC1=C(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)[C@H](C)n2nnnc2N1C ZINC001616897300 1073234342 /nfs/dbraw/zinc/23/43/42/1073234342.db2.gz OXYIHJCTEDEGCU-YJBOKZPZSA-N 1 1 438.536 0.972 20 0 ICADMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)CC3(n4cnnn4)CCOCC3)c2)C1 ZINC001616897328 1073234410 /nfs/dbraw/zinc/23/44/10/1073234410.db2.gz PCWZCGZAJXOBEZ-IBGZPJMESA-N 1 1 441.536 0.583 20 0 ICADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)CC3(n4cnnn4)CCOCC3)c2)C1 ZINC001616897330 1073234300 /nfs/dbraw/zinc/23/43/00/1073234300.db2.gz PCWZCGZAJXOBEZ-LJQANCHMSA-N 1 1 441.536 0.583 20 0 ICADMO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001616897522 1073234257 /nfs/dbraw/zinc/23/42/57/1073234257.db2.gz NXEOEJFUXGOJCE-KSZLIROESA-N 1 1 436.557 0.097 20 0 ICADMO CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001616897523 1073234468 /nfs/dbraw/zinc/23/44/68/1073234468.db2.gz NXEOEJFUXGOJCE-RCCFBDPRSA-N 1 1 436.557 0.097 20 0 ICADMO CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCCNC(=O)C(C)C ZINC001616897865 1073234839 /nfs/dbraw/zinc/23/48/39/1073234839.db2.gz SOWHDWGGWOMLTL-GOSISDBHSA-N 1 1 449.600 0.720 20 0 ICADMO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCCNC(=O)C(C)C ZINC001616897866 1073234781 /nfs/dbraw/zinc/23/47/81/1073234781.db2.gz SOWHDWGGWOMLTL-SFHVURJKSA-N 1 1 449.600 0.720 20 0 ICADMO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCC(=O)NC(C)(C)C ZINC001616898176 1073235362 /nfs/dbraw/zinc/23/53/62/1073235362.db2.gz XOOWHVQUWUSAJC-KRWDZBQOSA-N 1 1 449.600 0.862 20 0 ICADMO CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCC(=O)NC(C)(C)C ZINC001616898182 1073235334 /nfs/dbraw/zinc/23/53/34/1073235334.db2.gz XOOWHVQUWUSAJC-QGZVFWFLSA-N 1 1 449.600 0.862 20 0 ICADMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)CCC(=O)N3CCC(O)CC3)c2)C1 ZINC001616898219 1073235217 /nfs/dbraw/zinc/23/52/17/1073235217.db2.gz ZALQFUMDAQSSIK-IBGZPJMESA-N 1 1 430.549 0.764 20 0 ICADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)CCC(=O)N3CCC(O)CC3)c2)C1 ZINC001616898236 1073235278 /nfs/dbraw/zinc/23/52/78/1073235278.db2.gz ZALQFUMDAQSSIK-LJQANCHMSA-N 1 1 430.549 0.764 20 0 ICADMO CCOCc1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001616906571 1073236078 /nfs/dbraw/zinc/23/60/78/1073236078.db2.gz DKIONUFQQCNFGL-AVRDEDQJSA-N 1 1 449.600 0.014 20 0 ICADMO CCOCc1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001616906574 1073236300 /nfs/dbraw/zinc/23/63/00/1073236300.db2.gz DKIONUFQQCNFGL-GCJKJVERSA-N 1 1 449.600 0.014 20 0 ICADMO CCOCc1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001616906575 1073236141 /nfs/dbraw/zinc/23/61/41/1073236141.db2.gz DKIONUFQQCNFGL-PGRDOPGGSA-N 1 1 449.600 0.014 20 0 ICADMO CCOCc1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001616906584 1073236262 /nfs/dbraw/zinc/23/62/62/1073236262.db2.gz DKIONUFQQCNFGL-XMSQKQJNSA-N 1 1 449.600 0.014 20 0 ICADMO CCOCc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001616906688 1073236728 /nfs/dbraw/zinc/23/67/28/1073236728.db2.gz DZEJCRXWPXOMJG-GOSISDBHSA-N 1 1 431.585 0.866 20 0 ICADMO CCOCc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001616906705 1073236697 /nfs/dbraw/zinc/23/66/97/1073236697.db2.gz DZEJCRXWPXOMJG-SFHVURJKSA-N 1 1 431.585 0.866 20 0 ICADMO CCOCc1nnc(N2CCN(C)C(=O)C2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001616913009 1073237174 /nfs/dbraw/zinc/23/71/74/1073237174.db2.gz ZYJQCHORFAVKGZ-IBGZPJMESA-N 1 1 428.537 0.708 20 0 ICADMO CCOCc1nnc(N2CCN(C)C(=O)C2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001616913015 1073237207 /nfs/dbraw/zinc/23/72/07/1073237207.db2.gz ZYJQCHORFAVKGZ-LJQANCHMSA-N 1 1 428.537 0.708 20 0 ICADMO CCOCc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1CCn1cc[nH+]c1C ZINC001616914049 1073237261 /nfs/dbraw/zinc/23/72/61/1073237261.db2.gz MZRXDHBCFAXAAB-UHFFFAOYSA-N 1 1 439.524 0.840 20 0 ICADMO CCOCc1nnc(N2CCN(c3cccnn3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001616916829 1073237509 /nfs/dbraw/zinc/23/75/09/1073237509.db2.gz GJIQNJCOHVERIZ-GOSISDBHSA-N 1 1 430.557 0.778 20 0 ICADMO CCOCc1nnc(N2CCN(c3cccnn3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001616916830 1073237445 /nfs/dbraw/zinc/23/74/45/1073237445.db2.gz GJIQNJCOHVERIZ-SFHVURJKSA-N 1 1 430.557 0.778 20 0 ICADMO CCOCc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001616922905 1073238394 /nfs/dbraw/zinc/23/83/94/1073238394.db2.gz RCXPOWMWOGQTKY-KRWDZBQOSA-N 1 1 442.568 0.977 20 0 ICADMO CCOCc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1C[C@@H]1CC[N@@H+](CC)C1 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CCOCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001616946750 1073242477 /nfs/dbraw/zinc/24/24/77/1073242477.db2.gz DNILYKMLNYCSJP-DLBZAZTESA-N 1 1 449.556 0.256 20 0 ICADMO CCOCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001616946757 1073242462 /nfs/dbraw/zinc/24/24/62/1073242462.db2.gz DNILYKMLNYCSJP-IAGOWNOFSA-N 1 1 449.556 0.256 20 0 ICADMO CCOCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001616946758 1073242494 /nfs/dbraw/zinc/24/24/94/1073242494.db2.gz DNILYKMLNYCSJP-IRXDYDNUSA-N 1 1 449.556 0.256 20 0 ICADMO CCOCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001616946759 1073242442 /nfs/dbraw/zinc/24/24/42/1073242442.db2.gz DNILYKMLNYCSJP-SJORKVTESA-N 1 1 449.556 0.256 20 0 ICADMO CCOCc1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCC[NH+]1CCN(CC)CC1 ZINC001616948874 1073242995 /nfs/dbraw/zinc/24/29/95/1073242995.db2.gz PIUIWPHPMZFMQJ-NRFANRHFSA-N 1 1 435.573 0.873 20 0 ICADMO 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COC(=O)c1nn(-c2ccccc2)cc1OC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC001617014695 1073247470 /nfs/dbraw/zinc/24/74/70/1073247470.db2.gz NPTIFNNPBWYWAI-WMZOPIPTSA-N 1 1 443.504 0.935 20 0 ICADMO O=C(Cn1nc(C(F)(F)F)c2c1CCOC2)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001617047037 1073249432 /nfs/dbraw/zinc/24/94/32/1073249432.db2.gz IJFWQKYZLRKKAQ-AWEZNQCLSA-N 1 1 431.459 0.497 20 0 ICADMO O=C(Cn1nc(C(F)(F)F)c2c1CCOC2)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001617047039 1073249300 /nfs/dbraw/zinc/24/93/00/1073249300.db2.gz IJFWQKYZLRKKAQ-CQSZACIVSA-N 1 1 431.459 0.497 20 0 ICADMO C[NH+](C)CCSc1nc(CC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cs1 ZINC001617047133 1073249392 /nfs/dbraw/zinc/24/93/92/1073249392.db2.gz JFACPOFJRLIVDT-INIZCTEOSA-N 1 1 427.640 0.862 20 0 ICADMO C[NH+](C)CCSc1nc(CC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cs1 ZINC001617047134 1073249323 /nfs/dbraw/zinc/24/93/23/1073249323.db2.gz JFACPOFJRLIVDT-MRXNPFEDSA-N 1 1 427.640 0.862 20 0 ICADMO CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001617047653 1073249261 /nfs/dbraw/zinc/24/92/61/1073249261.db2.gz PGZQENWSVXLJLB-MSOLQXFVSA-N 1 1 425.574 0.060 20 0 ICADMO CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001617047654 1073249207 /nfs/dbraw/zinc/24/92/07/1073249207.db2.gz PGZQENWSVXLJLB-QZTJIDSGSA-N 1 1 425.574 0.060 20 0 ICADMO CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001617047655 1073249413 /nfs/dbraw/zinc/24/94/13/1073249413.db2.gz PGZQENWSVXLJLB-ROUUACIJSA-N 1 1 425.574 0.060 20 0 ICADMO CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001617047656 1073249342 /nfs/dbraw/zinc/24/93/42/1073249342.db2.gz PGZQENWSVXLJLB-ZWKOTPCHSA-N 1 1 425.574 0.060 20 0 ICADMO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(I)cc2-n2cnnn2)CC1 ZINC001617064733 1073249362 /nfs/dbraw/zinc/24/93/62/1073249362.db2.gz DEISOZPNIADJTG-NSHDSACASA-N 1 1 442.261 0.406 20 0 ICADMO CCOCCCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001617121910 1073252372 /nfs/dbraw/zinc/25/23/72/1073252372.db2.gz SGLJOKFCRSDLNH-JOCHJYFZSA-N 1 1 434.585 0.981 20 0 ICADMO CCOCCCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001617121911 1073252246 /nfs/dbraw/zinc/25/22/46/1073252246.db2.gz SGLJOKFCRSDLNH-QFIPXVFZSA-N 1 1 434.585 0.981 20 0 ICADMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)CCC(N)=O)c1 ZINC001617136642 1073253498 /nfs/dbraw/zinc/25/34/98/1073253498.db2.gz LSAPMNXVYYTGCB-UHFFFAOYSA-N 1 1 425.555 0.673 20 0 ICADMO CCOCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001617139298 1073253324 /nfs/dbraw/zinc/25/33/24/1073253324.db2.gz PNMXTSLRPVJXNL-JXFKEZNVSA-N 1 1 438.598 0.910 20 0 ICADMO CCOCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001617139301 1073253385 /nfs/dbraw/zinc/25/33/85/1073253385.db2.gz PNMXTSLRPVJXNL-OXJNMPFZSA-N 1 1 438.598 0.910 20 0 ICADMO CCOCCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001617139304 1073253574 /nfs/dbraw/zinc/25/35/74/1073253574.db2.gz PNMXTSLRPVJXNL-OXQOHEQNSA-N 1 1 438.598 0.910 20 0 ICADMO CCOCCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001617139307 1073253467 /nfs/dbraw/zinc/25/34/67/1073253467.db2.gz PNMXTSLRPVJXNL-UZLBHIALSA-N 1 1 438.598 0.910 20 0 ICADMO CC(C)(C)OC(=O)C1CCC(O)(C[NH+]2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CC1 ZINC001617175927 1073255451 /nfs/dbraw/zinc/25/54/51/1073255451.db2.gz LBZFOFDZRJGQLR-UHFFFAOYSA-N 1 1 428.555 0.979 20 0 ICADMO CCOCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001617184444 1073255507 /nfs/dbraw/zinc/25/55/07/1073255507.db2.gz QTSXCZZJHJLAQU-APWZRJJASA-N 1 1 430.557 0.704 20 0 ICADMO CCOCCn1c(-c2cnn(C)c2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001617184452 1073255430 /nfs/dbraw/zinc/25/54/30/1073255430.db2.gz QTSXCZZJHJLAQU-LPHOPBHVSA-N 1 1 430.557 0.704 20 0 ICADMO 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C[C@@H]1CN(C(=O)c2cnn3cc(CCNC(=O)OC(C)(C)C)cnc23)CC[N@@H+]1CCO ZINC001617185977 1073255942 /nfs/dbraw/zinc/25/59/42/1073255942.db2.gz IEVFOUKDNLXBFC-OAHLLOKOSA-N 1 1 432.525 0.935 20 0 ICADMO CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001617189135 1073256027 /nfs/dbraw/zinc/25/60/27/1073256027.db2.gz BLKOPPUPUZPREA-DLBZAZTESA-N 1 1 441.598 0.906 20 0 ICADMO CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001617189135 1073256018 /nfs/dbraw/zinc/25/60/18/1073256018.db2.gz BLKOPPUPUZPREA-DLBZAZTESA-N 1 1 441.598 0.906 20 0 ICADMO CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001617189136 1073256057 /nfs/dbraw/zinc/25/60/57/1073256057.db2.gz BLKOPPUPUZPREA-IRXDYDNUSA-N 1 1 441.598 0.906 20 0 ICADMO CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001617189136 1073256052 /nfs/dbraw/zinc/25/60/52/1073256052.db2.gz BLKOPPUPUZPREA-IRXDYDNUSA-N 1 1 441.598 0.906 20 0 ICADMO CCOCCn1c(CN2CCCC2=O)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001617198054 1073257485 /nfs/dbraw/zinc/25/74/85/1073257485.db2.gz XPQKPFOHSKIXNC-UHFFFAOYSA-N 1 1 447.584 0.572 20 0 ICADMO CCOCCn1c(CN2CCCC2=O)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001617198054 1073257480 /nfs/dbraw/zinc/25/74/80/1073257480.db2.gz XPQKPFOHSKIXNC-UHFFFAOYSA-N 1 1 447.584 0.572 20 0 ICADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO ZINC001617202782 1073258394 /nfs/dbraw/zinc/25/83/94/1073258394.db2.gz TVLVGXQEQXRSPL-CVEARBPZSA-N 1 1 444.623 0.649 20 0 ICADMO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO ZINC001617202782 1073258386 /nfs/dbraw/zinc/25/83/86/1073258386.db2.gz TVLVGXQEQXRSPL-CVEARBPZSA-N 1 1 444.623 0.649 20 0 ICADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO ZINC001617202784 1073258543 /nfs/dbraw/zinc/25/85/43/1073258543.db2.gz TVLVGXQEQXRSPL-HOTGVXAUSA-N 1 1 444.623 0.649 20 0 ICADMO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO ZINC001617202784 1073258539 /nfs/dbraw/zinc/25/85/39/1073258539.db2.gz TVLVGXQEQXRSPL-HOTGVXAUSA-N 1 1 444.623 0.649 20 0 ICADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO ZINC001617202785 1073258437 /nfs/dbraw/zinc/25/84/37/1073258437.db2.gz TVLVGXQEQXRSPL-HZPDHXFCSA-N 1 1 444.623 0.649 20 0 ICADMO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO ZINC001617202785 1073258425 /nfs/dbraw/zinc/25/84/25/1073258425.db2.gz TVLVGXQEQXRSPL-HZPDHXFCSA-N 1 1 444.623 0.649 20 0 ICADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO ZINC001617202786 1073258497 /nfs/dbraw/zinc/25/84/97/1073258497.db2.gz TVLVGXQEQXRSPL-JKSUJKDBSA-N 1 1 444.623 0.649 20 0 ICADMO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO ZINC001617202786 1073258488 /nfs/dbraw/zinc/25/84/88/1073258488.db2.gz TVLVGXQEQXRSPL-JKSUJKDBSA-N 1 1 444.623 0.649 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCC(F)F)CC1 ZINC001617205839 1073258959 /nfs/dbraw/zinc/25/89/59/1073258959.db2.gz FXOQIDUNAHBRFY-UHFFFAOYSA-N 1 1 443.499 0.054 20 0 ICADMO CCOCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)N(C)CC)C[C@H]1CC ZINC001617206657 1073258904 /nfs/dbraw/zinc/25/89/04/1073258904.db2.gz SKVAZUAICDGZLS-GOSISDBHSA-N 1 1 449.600 0.930 20 0 ICADMO CCOCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)N(C)CC)C[C@@H]1CC ZINC001617206659 1073258833 /nfs/dbraw/zinc/25/88/33/1073258833.db2.gz SKVAZUAICDGZLS-SFHVURJKSA-N 1 1 449.600 0.930 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001617211244 1073259433 /nfs/dbraw/zinc/25/94/33/1073259433.db2.gz BRTZECIYAANLTN-HNNXBMFYSA-N 1 1 430.500 0.999 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC(F)(F)CO2)CC1 ZINC001617211245 1073259733 /nfs/dbraw/zinc/25/97/33/1073259733.db2.gz BRTZECIYAANLTN-OAHLLOKOSA-N 1 1 430.500 0.999 20 0 ICADMO CCOCCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CC=CCC2)CC1 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UVOLSLPWTHFWHD-UHFFFAOYSA-N 1 1 430.557 0.649 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccco2)CC1 ZINC001617212397 1073259589 /nfs/dbraw/zinc/25/95/89/1073259589.db2.gz PWKPSGPQJOXIJS-HNNXBMFYSA-N 1 1 426.543 0.688 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccco2)CC1 ZINC001617212398 1073259445 /nfs/dbraw/zinc/25/94/45/1073259445.db2.gz PWKPSGPQJOXIJS-OAHLLOKOSA-N 1 1 426.543 0.688 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001617212477 1073259459 /nfs/dbraw/zinc/25/94/59/1073259459.db2.gz WCPMSNCAWALWGP-KRWDZBQOSA-N 1 1 447.584 0.587 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001617212481 1073259758 /nfs/dbraw/zinc/25/97/58/1073259758.db2.gz WCPMSNCAWALWGP-QGZVFWFLSA-N 1 1 447.584 0.587 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C(C)(C)C)n2CCN2CCCS2(=O)=O)CC1 ZINC001617212595 1073259703 /nfs/dbraw/zinc/25/97/03/1073259703.db2.gz ZFHQSQOFGHCFDL-UHFFFAOYSA-N 1 1 428.603 0.770 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C)n2C[C@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC1 ZINC001617212721 1073259381 /nfs/dbraw/zinc/25/93/81/1073259381.db2.gz UITVEHNTFXJMLU-MOPGFXCFSA-N 1 1 440.614 0.949 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C)n2C[C@@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC1 ZINC001617212722 1073259418 /nfs/dbraw/zinc/25/94/18/1073259418.db2.gz UITVEHNTFXJMLU-OALUTQOASA-N 1 1 440.614 0.949 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C)n2C[C@@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 ZINC001617212723 1073260289 /nfs/dbraw/zinc/26/02/89/1073260289.db2.gz UITVEHNTFXJMLU-RBUKOAKNSA-N 1 1 440.614 0.949 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 ZINC001617212724 1073260253 /nfs/dbraw/zinc/26/02/53/1073260253.db2.gz UITVEHNTFXJMLU-RTBURBONSA-N 1 1 440.614 0.949 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001617213876 1073260069 /nfs/dbraw/zinc/26/00/69/1073260069.db2.gz KBCSDNZZGPICTH-UHFFFAOYSA-N 1 1 440.570 0.896 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=O)N(C)C)CC1 ZINC001617220251 1073260659 /nfs/dbraw/zinc/26/06/59/1073260659.db2.gz CRVDHEGWYXVMPQ-UHFFFAOYSA-N 1 1 430.509 0.921 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(-c3cccn3C)n2CCS(=O)(=O)N(C)C)CC1 ZINC001617220275 1073260912 /nfs/dbraw/zinc/26/09/12/1073260912.db2.gz ABSYTNYBWJKXFH-UHFFFAOYSA-N 1 1 439.586 0.334 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(-c3cccnc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001617220730 1073260604 /nfs/dbraw/zinc/26/06/04/1073260604.db2.gz GRKUXJQKESFSSM-KRWDZBQOSA-N 1 1 442.524 0.487 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(-c3ccccc3C)n2CCNS(C)(=O)=O)CC1 ZINC001617221285 1073261067 /nfs/dbraw/zinc/26/10/67/1073261067.db2.gz UJLKYCDLJFNFHV-UHFFFAOYSA-N 1 1 436.582 0.961 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(-c3cnccn3)n2CC(=O)NCc2ccco2)CC1 ZINC001617221631 1073260846 /nfs/dbraw/zinc/26/08/46/1073260846.db2.gz AZCYWCHTLMPHFP-UHFFFAOYSA-N 1 1 440.508 0.803 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(-c3ccccc3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001617221727 1073260682 /nfs/dbraw/zinc/26/06/82/1073260682.db2.gz YGCUCQLVUFUNLW-UHFFFAOYSA-N 1 1 436.582 0.995 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(-c3ccccc3F)n2CCNS(C)(=O)=O)CC1 ZINC001617221777 1073260976 /nfs/dbraw/zinc/26/09/76/1073260976.db2.gz TUWGMVFDIMQNQY-UHFFFAOYSA-N 1 1 440.545 0.792 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(O)CC(OCC)C2)CC1 ZINC001617221943 1073260749 /nfs/dbraw/zinc/26/07/49/1073260749.db2.gz UNEOFHIVMJNTNY-UHFFFAOYSA-N 1 1 433.557 0.767 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(-c3cccnc3)n2CCN2CCCS2(=O)=O)CC1 ZINC001617222159 1073260771 /nfs/dbraw/zinc/26/07/71/1073260771.db2.gz XEDQPRRSYUZYTK-UHFFFAOYSA-N 1 1 449.581 0.534 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CC(OCC)C2)CC1 ZINC001617222350 1073260864 /nfs/dbraw/zinc/26/08/64/1073260864.db2.gz HMICSZGZJPASDW-BATSVXPKSA-N 1 1 436.557 0.318 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CC(OCC)C2)CC1 ZINC001617222354 1073260930 /nfs/dbraw/zinc/26/09/30/1073260930.db2.gz HMICSZGZJPASDW-BQIYRTECSA-N 1 1 436.557 0.318 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(CO)c2)CC1 ZINC001617222717 1073260888 /nfs/dbraw/zinc/26/08/88/1073260888.db2.gz KHVNEQXVPLICJK-IBGZPJMESA-N 1 1 428.537 0.928 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(CO)c2)CC1 ZINC001617222721 1073260962 /nfs/dbraw/zinc/26/09/62/1073260962.db2.gz KHVNEQXVPLICJK-LJQANCHMSA-N 1 1 428.537 0.928 20 0 ICADMO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nc(C)n[nH]2)C[C@@H]1CC ZINC001617222987 1073260570 /nfs/dbraw/zinc/26/05/70/1073260570.db2.gz OETNLHSJZNOVFT-DLBZAZTESA-N 1 1 445.572 0.836 20 0 ICADMO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nc(C)n[nH]2)C[C@@H]1CC ZINC001617222987 1073260568 /nfs/dbraw/zinc/26/05/68/1073260568.db2.gz OETNLHSJZNOVFT-DLBZAZTESA-N 1 1 445.572 0.836 20 0 ICADMO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2n[nH]c(C)n2)C[C@@H]1CC ZINC001617222987 1073260564 /nfs/dbraw/zinc/26/05/64/1073260564.db2.gz OETNLHSJZNOVFT-DLBZAZTESA-N 1 1 445.572 0.836 20 0 ICADMO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nc(C)n[nH]2)C[C@H]1CC ZINC001617223002 1073260809 /nfs/dbraw/zinc/26/08/09/1073260809.db2.gz OETNLHSJZNOVFT-IAGOWNOFSA-N 1 1 445.572 0.836 20 0 ICADMO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nc(C)n[nH]2)C[C@H]1CC ZINC001617223002 1073260803 /nfs/dbraw/zinc/26/08/03/1073260803.db2.gz OETNLHSJZNOVFT-IAGOWNOFSA-N 1 1 445.572 0.836 20 0 ICADMO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2n[nH]c(C)n2)C[C@H]1CC ZINC001617223002 1073260796 /nfs/dbraw/zinc/26/07/96/1073260796.db2.gz OETNLHSJZNOVFT-IAGOWNOFSA-N 1 1 445.572 0.836 20 0 ICADMO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nc(C)n[nH]2)C[C@@H]1CC ZINC001617223004 1073260626 /nfs/dbraw/zinc/26/06/26/1073260626.db2.gz OETNLHSJZNOVFT-IRXDYDNUSA-N 1 1 445.572 0.836 20 0 ICADMO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nc(C)n[nH]2)C[C@@H]1CC ZINC001617223004 1073260621 /nfs/dbraw/zinc/26/06/21/1073260621.db2.gz OETNLHSJZNOVFT-IRXDYDNUSA-N 1 1 445.572 0.836 20 0 ICADMO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2n[nH]c(C)n2)C[C@@H]1CC ZINC001617223004 1073260611 /nfs/dbraw/zinc/26/06/11/1073260611.db2.gz OETNLHSJZNOVFT-IRXDYDNUSA-N 1 1 445.572 0.836 20 0 ICADMO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nc(C)n[nH]2)C[C@H]1CC ZINC001617223006 1073261017 /nfs/dbraw/zinc/26/10/17/1073261017.db2.gz OETNLHSJZNOVFT-SJORKVTESA-N 1 1 445.572 0.836 20 0 ICADMO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nc(C)n[nH]2)C[C@H]1CC ZINC001617223006 1073261008 /nfs/dbraw/zinc/26/10/08/1073261008.db2.gz OETNLHSJZNOVFT-SJORKVTESA-N 1 1 445.572 0.836 20 0 ICADMO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2n[nH]c(C)n2)C[C@H]1CC ZINC001617223006 1073260994 /nfs/dbraw/zinc/26/09/94/1073260994.db2.gz OETNLHSJZNOVFT-SJORKVTESA-N 1 1 445.572 0.836 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(C(N)=O)CCCC2)CC1 ZINC001617223134 1073260950 /nfs/dbraw/zinc/26/09/50/1073260950.db2.gz PYFUEKKNGYKRBS-INIZCTEOSA-N 1 1 433.557 0.433 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCOC[C@H]2C)CC1 ZINC001617223685 1073261423 /nfs/dbraw/zinc/26/14/23/1073261423.db2.gz ZWTSCTQVKHDMET-MSOLQXFVSA-N 1 1 435.573 0.108 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCOC[C@H]2C)CC1 ZINC001617223686 1073261566 /nfs/dbraw/zinc/26/15/66/1073261566.db2.gz ZWTSCTQVKHDMET-QZTJIDSGSA-N 1 1 435.573 0.108 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCOC[C@@H]2C)CC1 ZINC001617223687 1073261744 /nfs/dbraw/zinc/26/17/44/1073261744.db2.gz ZWTSCTQVKHDMET-ROUUACIJSA-N 1 1 435.573 0.108 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCOC[C@@H]2C)CC1 ZINC001617223688 1073261354 /nfs/dbraw/zinc/26/13/54/1073261354.db2.gz ZWTSCTQVKHDMET-ZWKOTPCHSA-N 1 1 435.573 0.108 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCS(=O)(=O)N(C)C)CC1 ZINC001617227576 1073261647 /nfs/dbraw/zinc/26/16/47/1073261647.db2.gz AFRPVNKXJSVAHF-UHFFFAOYSA-N 1 1 430.619 0.917 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccn(C)n2)CC1 ZINC001617228261 1073261385 /nfs/dbraw/zinc/26/13/85/1073261385.db2.gz MSPCYZWXLFANFY-UHFFFAOYSA-N 1 1 430.557 0.535 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2nnc(C)s2)CC1 ZINC001617228663 1073262007 /nfs/dbraw/zinc/26/20/07/1073262007.db2.gz PMQZIMJQUOFAFZ-UHFFFAOYSA-N 1 1 434.570 0.767 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001617228668 1073262102 /nfs/dbraw/zinc/26/21/02/1073262102.db2.gz PQBXFRZIMQYWRF-JOCHJYFZSA-N 1 1 444.584 0.777 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001617228677 1073261955 /nfs/dbraw/zinc/26/19/55/1073261955.db2.gz PQBXFRZIMQYWRF-QFIPXVFZSA-N 1 1 444.584 0.777 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(Cc3ccccn3)n2CC2(O)CCOCC2)CC1 ZINC001617228842 1073262151 /nfs/dbraw/zinc/26/21/51/1073262151.db2.gz RMZFYRACOZFVJW-UHFFFAOYSA-N 1 1 430.553 0.964 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001617229019 1073262116 /nfs/dbraw/zinc/26/21/16/1073262116.db2.gz DUPKEOPZMSGJBI-GOSISDBHSA-N 1 1 446.556 0.831 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001617229024 1073262053 /nfs/dbraw/zinc/26/20/53/1073262053.db2.gz DUPKEOPZMSGJBI-SFHVURJKSA-N 1 1 446.556 0.831 20 0 ICADMO CCOCC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC(=O)N2)C[C@@H]1CC ZINC001617229104 1073262157 /nfs/dbraw/zinc/26/21/57/1073262157.db2.gz UCPWGEOPGJMPNA-MSOLQXFVSA-N 1 1 447.584 0.616 20 0 ICADMO CCOCC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC(=O)N2)C[C@H]1CC ZINC001617229117 1073262173 /nfs/dbraw/zinc/26/21/73/1073262173.db2.gz UCPWGEOPGJMPNA-QZTJIDSGSA-N 1 1 447.584 0.616 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc(C3CCC3)n2CCN2CCCS2(=O)=O)CC1 ZINC001617230363 1073262026 /nfs/dbraw/zinc/26/20/26/1073262026.db2.gz MSCFQVPVAMHTSC-UHFFFAOYSA-N 1 1 426.587 0.740 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)NC)CC1 ZINC001617230858 1073261982 /nfs/dbraw/zinc/26/19/82/1073261982.db2.gz QNPVKQLMNOZCQM-INIZCTEOSA-N 1 1 430.575 0.227 20 0 ICADMO CCOCC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)NC)CC1 ZINC001617230859 1073262126 /nfs/dbraw/zinc/26/21/26/1073262126.db2.gz QNPVKQLMNOZCQM-MRXNPFEDSA-N 1 1 430.575 0.227 20 0 ICADMO CCOCCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCC2)CC1 ZINC001617230964 1073262076 /nfs/dbraw/zinc/26/20/76/1073262076.db2.gz RPYCKMKHOPGLBT-GOSISDBHSA-N 1 1 440.614 0.435 20 0 ICADMO CCOCCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCC2)CC1 ZINC001617230965 1073262538 /nfs/dbraw/zinc/26/25/38/1073262538.db2.gz RPYCKMKHOPGLBT-SFHVURJKSA-N 1 1 440.614 0.435 20 0 ICADMO CCOCCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001617243323 1073263559 /nfs/dbraw/zinc/26/35/59/1073263559.db2.gz DCFSYWZKEHPSMX-SIKLNZKXSA-N 1 1 447.584 0.838 20 0 ICADMO CCOCCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001617243325 1073263432 /nfs/dbraw/zinc/26/34/32/1073263432.db2.gz DCFSYWZKEHPSMX-UGKGYDQZSA-N 1 1 447.584 0.838 20 0 ICADMO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC001617265461 1073265418 /nfs/dbraw/zinc/26/54/18/1073265418.db2.gz OXNWMJMDVIRIOQ-NEPJUHHUSA-N 1 1 429.539 0.937 20 0 ICADMO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO ZINC001617265461 1073265405 /nfs/dbraw/zinc/26/54/05/1073265405.db2.gz OXNWMJMDVIRIOQ-NEPJUHHUSA-N 1 1 429.539 0.937 20 0 ICADMO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[N@@H+](C[C@@H](C)O)[C@@H](C)CO ZINC001617265462 1073265506 /nfs/dbraw/zinc/26/55/06/1073265506.db2.gz OXNWMJMDVIRIOQ-NWDGAFQWSA-N 1 1 429.539 0.937 20 0 ICADMO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[N@H+](C[C@@H](C)O)[C@@H](C)CO ZINC001617265462 1073265500 /nfs/dbraw/zinc/26/55/00/1073265500.db2.gz OXNWMJMDVIRIOQ-NWDGAFQWSA-N 1 1 429.539 0.937 20 0 ICADMO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC001617265463 1073265155 /nfs/dbraw/zinc/26/51/55/1073265155.db2.gz OXNWMJMDVIRIOQ-RYUDHWBXSA-N 1 1 429.539 0.937 20 0 ICADMO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[N@H+](C[C@H](C)O)[C@@H](C)CO ZINC001617265463 1073265142 /nfs/dbraw/zinc/26/51/42/1073265142.db2.gz OXNWMJMDVIRIOQ-RYUDHWBXSA-N 1 1 429.539 0.937 20 0 ICADMO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO ZINC001617265464 1073265259 /nfs/dbraw/zinc/26/52/59/1073265259.db2.gz OXNWMJMDVIRIOQ-VXGBXAGGSA-N 1 1 429.539 0.937 20 0 ICADMO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO ZINC001617265464 1073265221 /nfs/dbraw/zinc/26/52/21/1073265221.db2.gz OXNWMJMDVIRIOQ-VXGBXAGGSA-N 1 1 429.539 0.937 20 0 ICADMO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(C)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001617266155 1073265470 /nfs/dbraw/zinc/26/54/70/1073265470.db2.gz LFDJLFXZNYTFKS-DOTOQJQBSA-N 1 1 428.603 0.789 20 0 ICADMO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(C)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001617266155 1073265465 /nfs/dbraw/zinc/26/54/65/1073265465.db2.gz LFDJLFXZNYTFKS-DOTOQJQBSA-N 1 1 428.603 0.789 20 0 ICADMO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(C)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001617266158 1073265556 /nfs/dbraw/zinc/26/55/56/1073265556.db2.gz LFDJLFXZNYTFKS-NVXWUHKLSA-N 1 1 428.603 0.789 20 0 ICADMO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(C)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001617266158 1073265549 /nfs/dbraw/zinc/26/55/49/1073265549.db2.gz LFDJLFXZNYTFKS-NVXWUHKLSA-N 1 1 428.603 0.789 20 0 ICADMO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(C)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001617266160 1073265527 /nfs/dbraw/zinc/26/55/27/1073265527.db2.gz LFDJLFXZNYTFKS-RDJZCZTQSA-N 1 1 428.603 0.789 20 0 ICADMO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(C)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001617266160 1073265523 /nfs/dbraw/zinc/26/55/23/1073265523.db2.gz LFDJLFXZNYTFKS-RDJZCZTQSA-N 1 1 428.603 0.789 20 0 ICADMO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(C)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001617266163 1073265445 /nfs/dbraw/zinc/26/54/45/1073265445.db2.gz LFDJLFXZNYTFKS-WBVHZDCISA-N 1 1 428.603 0.789 20 0 ICADMO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(C)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001617266163 1073265440 /nfs/dbraw/zinc/26/54/40/1073265440.db2.gz LFDJLFXZNYTFKS-WBVHZDCISA-N 1 1 428.603 0.789 20 0 ICADMO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001617278364 1073268232 /nfs/dbraw/zinc/26/82/32/1073268232.db2.gz WEVCSGGVGCYCCR-JXFKEZNVSA-N 1 1 436.582 0.590 20 0 ICADMO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001617278364 1073268224 /nfs/dbraw/zinc/26/82/24/1073268224.db2.gz WEVCSGGVGCYCCR-JXFKEZNVSA-N 1 1 436.582 0.590 20 0 ICADMO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001617278370 1073268205 /nfs/dbraw/zinc/26/82/05/1073268205.db2.gz WEVCSGGVGCYCCR-OXJNMPFZSA-N 1 1 436.582 0.590 20 0 ICADMO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001617278370 1073268195 /nfs/dbraw/zinc/26/81/95/1073268195.db2.gz WEVCSGGVGCYCCR-OXJNMPFZSA-N 1 1 436.582 0.590 20 0 ICADMO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001617278372 1073267978 /nfs/dbraw/zinc/26/79/78/1073267978.db2.gz WEVCSGGVGCYCCR-OXQOHEQNSA-N 1 1 436.582 0.590 20 0 ICADMO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001617278372 1073267966 /nfs/dbraw/zinc/26/79/66/1073267966.db2.gz WEVCSGGVGCYCCR-OXQOHEQNSA-N 1 1 436.582 0.590 20 0 ICADMO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001617278374 1073268137 /nfs/dbraw/zinc/26/81/37/1073268137.db2.gz WEVCSGGVGCYCCR-UZLBHIALSA-N 1 1 436.582 0.590 20 0 ICADMO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001617278374 1073268125 /nfs/dbraw/zinc/26/81/25/1073268125.db2.gz WEVCSGGVGCYCCR-UZLBHIALSA-N 1 1 436.582 0.590 20 0 ICADMO CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(OC)c2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001617288555 1073269959 /nfs/dbraw/zinc/26/99/59/1073269959.db2.gz ISRLSNQNTBIKMV-FQEVSTJZSA-N 1 1 437.566 0.891 20 0 ICADMO CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(OC)c2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001617288556 1073270122 /nfs/dbraw/zinc/27/01/22/1073270122.db2.gz ISRLSNQNTBIKMV-HXUWFJFHSA-N 1 1 437.566 0.891 20 0 ICADMO CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001617292291 1073269714 /nfs/dbraw/zinc/26/97/14/1073269714.db2.gz RHGRJLXZAOWOQU-FQEVSTJZSA-N 1 1 437.566 0.891 20 0 ICADMO CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001617292292 1073269835 /nfs/dbraw/zinc/26/98/35/1073269835.db2.gz RHGRJLXZAOWOQU-HXUWFJFHSA-N 1 1 437.566 0.891 20 0 ICADMO CCS(=O)(=O)CCN(C)c1nnc([C@H]2CCOC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001617298706 1073271125 /nfs/dbraw/zinc/27/11/25/1073271125.db2.gz GORQJENPJXMUSY-KRWDZBQOSA-N 1 1 442.630 0.679 20 0 ICADMO CCS(=O)(=O)CCN(C)c1nnc([C@@H]2CCOC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001617298713 1073271215 /nfs/dbraw/zinc/27/12/15/1073271215.db2.gz GORQJENPJXMUSY-QGZVFWFLSA-N 1 1 442.630 0.679 20 0 ICADMO CCS(=O)(=O)CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc[nH+]c1C ZINC001617299299 1073271162 /nfs/dbraw/zinc/27/11/62/1073271162.db2.gz PSQCJVDDVVPVJN-HNNXBMFYSA-N 1 1 444.583 0.256 20 0 ICADMO CCS(=O)(=O)CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc[nH+]c1C ZINC001617299302 1073271201 /nfs/dbraw/zinc/27/12/01/1073271201.db2.gz PSQCJVDDVVPVJN-OAHLLOKOSA-N 1 1 444.583 0.256 20 0 ICADMO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC001617308233 1073273921 /nfs/dbraw/zinc/27/39/21/1073273921.db2.gz XFNJKKQAEZVRJH-BQFCYCMXSA-N 1 1 428.574 0.956 20 0 ICADMO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC001617308235 1073273752 /nfs/dbraw/zinc/27/37/52/1073273752.db2.gz XFNJKKQAEZVRJH-RYRKJORJSA-N 1 1 428.574 0.956 20 0 ICADMO CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC001617308237 1073273989 /nfs/dbraw/zinc/27/39/89/1073273989.db2.gz XFNJKKQAEZVRJH-SOLBZPMBSA-N 1 1 428.574 0.956 20 0 ICADMO 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CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1Cc1cnn(C)c1 ZINC001617831186 1073344212 /nfs/dbraw/zinc/34/42/12/1073344212.db2.gz YBMCSDCNWUMCRB-QGZVFWFLSA-N 1 1 430.557 0.806 20 0 ICADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(CN2CCCC2=O)n1Cc1cnn(C)c1 ZINC001617831200 1073344328 /nfs/dbraw/zinc/34/43/28/1073344328.db2.gz YMYOVAQPFAVZKI-UHFFFAOYSA-N 1 1 444.584 0.977 20 0 ICADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cnccn2)n1C[C@@H]1COCCO1 ZINC001617831271 1073344271 /nfs/dbraw/zinc/34/42/71/1073344271.db2.gz ZQVQYBGFPATYRL-QGZVFWFLSA-N 1 1 431.541 0.945 20 0 ICADMO CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC001617859100 1073345147 /nfs/dbraw/zinc/34/51/47/1073345147.db2.gz SZKUXEMXMLEYMC-KRWDZBQOSA-N 1 1 438.550 0.570 20 0 ICADMO CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC001617859101 1073345106 /nfs/dbraw/zinc/34/51/06/1073345106.db2.gz SZKUXEMXMLEYMC-QGZVFWFLSA-N 1 1 438.550 0.570 20 0 ICADMO Cc1n[nH]c(I)c1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001617864753 1073345444 /nfs/dbraw/zinc/34/54/44/1073345444.db2.gz SNQDRXULLWNWET-UHFFFAOYSA-N 1 1 445.265 0.449 20 0 ICADMO O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1)N1CCN(c2cnccn2)CC1 ZINC001617918221 1073348504 /nfs/dbraw/zinc/34/85/04/1073348504.db2.gz LRGKUAOXZQYEGS-CABCVRRESA-N 1 1 426.443 0.468 20 0 ICADMO O=C(C[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1)N1CCN(c2cnccn2)CC1 ZINC001617918224 1073348556 /nfs/dbraw/zinc/34/85/56/1073348556.db2.gz LRGKUAOXZQYEGS-GJZGRUSLSA-N 1 1 426.443 0.468 20 0 ICADMO O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1)N1CCN(c2cnccn2)CC1 ZINC001617918227 1073348678 /nfs/dbraw/zinc/34/86/78/1073348678.db2.gz LRGKUAOXZQYEGS-HUUCEWRRSA-N 1 1 426.443 0.468 20 0 ICADMO O=C(C[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1)N1CCN(c2cnccn2)CC1 ZINC001617918229 1073348611 /nfs/dbraw/zinc/34/86/11/1073348611.db2.gz LRGKUAOXZQYEGS-LSDHHAIUSA-N 1 1 426.443 0.468 20 0 ICADMO CCO[C@@H]1COC[C@H]1[NH2+]Cc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC ZINC001617933025 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DRKWOPQCRASHES-AWEZNQCLSA-N 1 1 436.948 0.975 20 0 ICADMO CN(Cc1ncc(Cl)n1C)c1nnc([C@H]2CCC(=O)N2)n1CCC[NH+]1CCOCC1 ZINC001618017361 1073354858 /nfs/dbraw/zinc/35/48/58/1073354858.db2.gz DRKWOPQCRASHES-CQSZACIVSA-N 1 1 436.948 0.975 20 0 ICADMO O=C(C[N@@H+]1CC[C@@](O)(C(F)F)C1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC001618026278 1073355484 /nfs/dbraw/zinc/35/54/84/1073355484.db2.gz CHRYNPJYSCSPFB-KRWDZBQOSA-N 1 1 439.431 0.500 20 0 ICADMO O=C(C[N@H+]1CC[C@@](O)(C(F)F)C1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC001618026278 1073355475 /nfs/dbraw/zinc/35/54/75/1073355475.db2.gz CHRYNPJYSCSPFB-KRWDZBQOSA-N 1 1 439.431 0.500 20 0 ICADMO O=C(C[N@@H+]1CC[C@](O)(C(F)F)C1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC001618026293 1073355583 /nfs/dbraw/zinc/35/55/83/1073355583.db2.gz CHRYNPJYSCSPFB-QGZVFWFLSA-N 1 1 439.431 0.500 20 0 ICADMO O=C(C[N@H+]1CC[C@](O)(C(F)F)C1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC001618026293 1073355571 /nfs/dbraw/zinc/35/55/71/1073355571.db2.gz CHRYNPJYSCSPFB-QGZVFWFLSA-N 1 1 439.431 0.500 20 0 ICADMO Cn1cc([C@H]2C[N@@H+](CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC23CCOCC3)cn1 ZINC001618033930 1073355942 /nfs/dbraw/zinc/35/59/42/1073355942.db2.gz GKZAKHOZIQCUSP-GOSISDBHSA-N 1 1 433.534 0.902 20 0 ICADMO Cn1cc([C@@H]2C[N@@H+](CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC23CCOCC3)cn1 ZINC001618033936 1073356121 /nfs/dbraw/zinc/35/61/21/1073356121.db2.gz GKZAKHOZIQCUSP-SFHVURJKSA-N 1 1 433.534 0.902 20 0 ICADMO Cn1cc([C@@H]2C[N@@H+](CC(=O)NCc3ccc(OCC(N)=O)cc3)CC23CCOCC3)cn1 ZINC001618034895 1073355988 /nfs/dbraw/zinc/35/59/88/1073355988.db2.gz ONMISMVQIYUXTQ-FQEVSTJZSA-N 1 1 441.532 0.797 20 0 ICADMO Cn1cc([C@H]2C[N@@H+](CC(=O)NCc3ccc(OCC(N)=O)cc3)CC23CCOCC3)cn1 ZINC001618034902 1073355898 /nfs/dbraw/zinc/35/58/98/1073355898.db2.gz ONMISMVQIYUXTQ-HXUWFJFHSA-N 1 1 441.532 0.797 20 0 ICADMO CN(Cc1ccon1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001618038453 1073356522 /nfs/dbraw/zinc/35/65/22/1073356522.db2.gz LWNJUXPZSWCTGZ-DOTOQJQBSA-N 1 1 438.554 0.651 20 0 ICADMO CN(Cc1ccon1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001618038455 1073356415 /nfs/dbraw/zinc/35/64/15/1073356415.db2.gz LWNJUXPZSWCTGZ-NVXWUHKLSA-N 1 1 438.554 0.651 20 0 ICADMO CN(Cc1ccon1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001618038457 1073356594 /nfs/dbraw/zinc/35/65/94/1073356594.db2.gz LWNJUXPZSWCTGZ-RDJZCZTQSA-N 1 1 438.554 0.651 20 0 ICADMO CN(Cc1ccon1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001618038458 1073356446 /nfs/dbraw/zinc/35/64/46/1073356446.db2.gz LWNJUXPZSWCTGZ-WBVHZDCISA-N 1 1 438.554 0.651 20 0 ICADMO CCN(C)C(=O)[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(C)C ZINC001618055458 1073357317 /nfs/dbraw/zinc/35/73/17/1073357317.db2.gz QDYBTTRHZINMKX-KRWDZBQOSA-N 1 1 433.596 0.803 20 0 ICADMO CCN(C(=O)CN1C[C@H]2CC[N@@H+](C)[C@H]2C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001618055961 1073357348 /nfs/dbraw/zinc/35/73/48/1073357348.db2.gz VIRRQKLSAHWFAO-SJORKVTESA-N 1 1 426.521 0.568 20 0 ICADMO 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CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC001618345704 1073378603 /nfs/dbraw/zinc/37/86/03/1073378603.db2.gz MSKQWPLLBXKZIU-UYAOXDASSA-N 1 1 439.578 0.772 20 0 ICADMO C[NH+](C)CC(C)(C)NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001618347055 1073378679 /nfs/dbraw/zinc/37/86/79/1073378679.db2.gz JVKBNLFWBXJXKQ-UHFFFAOYSA-N 1 1 440.566 0.221 20 0 ICADMO CN(CCS(C)(=O)=O)c1nnc(-c2noc3c2COCC3)n1CC[NH+]1CCCCC1 ZINC001618353378 1073379572 /nfs/dbraw/zinc/37/95/72/1073379572.db2.gz KJMQDKUWEYOYDJ-UHFFFAOYSA-N 1 1 438.554 0.973 20 0 ICADMO CN(CCS(C)(=O)=O)c1nnc(Cc2cccnc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001618354084 1073379870 /nfs/dbraw/zinc/37/98/70/1073379870.db2.gz ARIIGLCRHMYHOK-UHFFFAOYSA-N 1 1 449.625 0.771 20 0 ICADMO CN(CCS(C)(=O)=O)c1nnc(CN2CCCC2=O)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001618358715 1073380715 /nfs/dbraw/zinc/38/07/15/1073380715.db2.gz LCHWWCSOACCABO-HNNXBMFYSA-N 1 1 435.554 0.340 20 0 ICADMO CN(CCS(C)(=O)=O)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCn2cc[nH+]c2C1 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/nfs/dbraw/zinc/38/12/50/1073381250.db2.gz SCOKIOMXHCVKCD-UHFFFAOYSA-N 1 1 435.525 0.206 20 0 ICADMO O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)c2cccc(-n3cncn3)n2)CC1 ZINC001618363685 1073381324 /nfs/dbraw/zinc/38/13/24/1073381324.db2.gz XZJUBNJBCPPQMP-UHFFFAOYSA-N 1 1 427.509 0.353 20 0 ICADMO O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)c2ccc(CN3CCOCC3)o2)CC1 ZINC001618368232 1073381871 /nfs/dbraw/zinc/38/18/71/1073381871.db2.gz GIQUEEIHIPLQTQ-UHFFFAOYSA-N 1 1 448.564 0.803 20 0 ICADMO Cc1nn(C)cc1C1=NO[C@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)C1 ZINC001618368567 1073381748 /nfs/dbraw/zinc/38/17/48/1073381748.db2.gz IYHAFXJAURISGT-FQEVSTJZSA-N 1 1 446.552 0.299 20 0 ICADMO Cc1nn(C)cc1C1=NO[C@@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)C1 ZINC001618368569 1073381829 /nfs/dbraw/zinc/38/18/29/1073381829.db2.gz IYHAFXJAURISGT-HXUWFJFHSA-N 1 1 446.552 0.299 20 0 ICADMO Cc1nn(-c2cccnc2)nc1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001618368713 1073381796 /nfs/dbraw/zinc/38/17/96/1073381796.db2.gz KHFAIJFTCSGWMB-UHFFFAOYSA-N 1 1 441.536 0.661 20 0 ICADMO O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)c2ccn(C3CCOCC3)n2)CC1 ZINC001618369608 1073381883 /nfs/dbraw/zinc/38/18/83/1073381883.db2.gz SJPDPXOPZNVTMP-UHFFFAOYSA-N 1 1 433.553 0.925 20 0 ICADMO Cn1cc(-c2nnc(N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)n2CC(C)(C)O)cn1 ZINC001618391595 1073384566 /nfs/dbraw/zinc/38/45/66/1073384566.db2.gz CVNAWWGLPINODO-UHFFFAOYSA-N 1 1 430.557 0.584 20 0 ICADMO Cn1cc(-c2nnc(N3CCC[N@H+](CC(=O)N4CCCC4)CC3)n2CC(C)(C)O)cn1 ZINC001618391595 1073384554 /nfs/dbraw/zinc/38/45/54/1073384554.db2.gz CVNAWWGLPINODO-UHFFFAOYSA-N 1 1 430.557 0.584 20 0 ICADMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)C1 ZINC001618392456 1073384743 /nfs/dbraw/zinc/38/47/43/1073384743.db2.gz UTYZAEOJFBWGFH-HNNXBMFYSA-N 1 1 429.514 0.838 20 0 ICADMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)C1 ZINC001618392456 1073384731 /nfs/dbraw/zinc/38/47/31/1073384731.db2.gz UTYZAEOJFBWGFH-HNNXBMFYSA-N 1 1 429.514 0.838 20 0 ICADMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)C1 ZINC001618392458 1073384652 /nfs/dbraw/zinc/38/46/52/1073384652.db2.gz UTYZAEOJFBWGFH-OAHLLOKOSA-N 1 1 429.514 0.838 20 0 ICADMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)C1 ZINC001618392458 1073384638 /nfs/dbraw/zinc/38/46/38/1073384638.db2.gz UTYZAEOJFBWGFH-OAHLLOKOSA-N 1 1 429.514 0.838 20 0 ICADMO Cn1cc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC[N@H+]2CCOCC2(C)C)cn1 ZINC001618392724 1073384533 /nfs/dbraw/zinc/38/45/33/1073384533.db2.gz OJNXJUOHQRJGGK-INIZCTEOSA-N 1 1 430.557 0.881 20 0 ICADMO Cn1cc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC[N@@H+]2CCOCC2(C)C)cn1 ZINC001618392724 1073384523 /nfs/dbraw/zinc/38/45/23/1073384523.db2.gz OJNXJUOHQRJGGK-INIZCTEOSA-N 1 1 430.557 0.881 20 0 ICADMO Cn1cc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC[N@H+]2CCOCC2(C)C)cn1 ZINC001618392726 1073384689 /nfs/dbraw/zinc/38/46/89/1073384689.db2.gz OJNXJUOHQRJGGK-MRXNPFEDSA-N 1 1 430.557 0.881 20 0 ICADMO Cn1cc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC[N@@H+]2CCOCC2(C)C)cn1 ZINC001618392726 1073384676 /nfs/dbraw/zinc/38/46/76/1073384676.db2.gz OJNXJUOHQRJGGK-MRXNPFEDSA-N 1 1 430.557 0.881 20 0 ICADMO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC001618401953 1073385524 /nfs/dbraw/zinc/38/55/24/1073385524.db2.gz OOBKAZLONOOHKU-HYVNUMGLSA-N 1 1 427.523 0.346 20 0 ICADMO Cn1cc(N2CCN(c3nnc(C(C)(C)C)n3CCC[NH+]3CCOCC3)CC2=O)cn1 ZINC001618412612 1073386464 /nfs/dbraw/zinc/38/64/64/1073386464.db2.gz IZALVTOVEUYWKK-UHFFFAOYSA-N 1 1 430.557 0.885 20 0 ICADMO O=C(c1sccc1S(=O)(=O)N1CCC(O)CC1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC001618427105 1073388275 /nfs/dbraw/zinc/38/82/75/1073388275.db2.gz BMZJKDNOXISGLG-UHFFFAOYSA-N 1 1 425.536 0.579 20 0 ICADMO NC(=O)CC[C@@H](NC(=O)CCCc1ccccc1)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC001618433599 1073388627 /nfs/dbraw/zinc/38/86/27/1073388627.db2.gz ZTYOWULHXAYOIA-GOSISDBHSA-N 1 1 426.521 0.832 20 0 ICADMO NC(=O)CC[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC001618433600 1073388670 /nfs/dbraw/zinc/38/86/70/1073388670.db2.gz ZTYOWULHXAYOIA-SFHVURJKSA-N 1 1 426.521 0.832 20 0 ICADMO Cn1cccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001618449050 1073389462 /nfs/dbraw/zinc/38/94/62/1073389462.db2.gz YKPKPEWQLQDFTP-FQEVSTJZSA-N 1 1 436.582 0.754 20 0 ICADMO Cn1cccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001618449051 1073389558 /nfs/dbraw/zinc/38/95/58/1073389558.db2.gz YKPKPEWQLQDFTP-HXUWFJFHSA-N 1 1 436.582 0.754 20 0 ICADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cnccn2)n1C[C@]1(C)CN(C)C1=O ZINC001618456909 1073391580 /nfs/dbraw/zinc/39/15/80/1073391580.db2.gz COMIEZKDBWCSFT-NRFANRHFSA-N 1 1 428.541 0.760 20 0 ICADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cnccn2)n1C[C@]1(C)CN(C)C1=O ZINC001618456909 1073391573 /nfs/dbraw/zinc/39/15/73/1073391573.db2.gz COMIEZKDBWCSFT-NRFANRHFSA-N 1 1 428.541 0.760 20 0 ICADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cnccn2)n1C[C@@]1(C)CN(C)C1=O ZINC001618456911 1073391729 /nfs/dbraw/zinc/39/17/29/1073391729.db2.gz COMIEZKDBWCSFT-OAQYLSRUSA-N 1 1 428.541 0.760 20 0 ICADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cnccn2)n1C[C@@]1(C)CN(C)C1=O ZINC001618456911 1073391719 /nfs/dbraw/zinc/39/17/19/1073391719.db2.gz COMIEZKDBWCSFT-OAQYLSRUSA-N 1 1 428.541 0.760 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC001618464254 1073392966 /nfs/dbraw/zinc/39/29/66/1073392966.db2.gz BARJHMRFFCVRJA-JXFKEZNVSA-N 1 1 442.630 0.699 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC001618464258 1073393329 /nfs/dbraw/zinc/39/33/29/1073393329.db2.gz BARJHMRFFCVRJA-OXJNMPFZSA-N 1 1 442.630 0.699 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC001618464259 1073393169 /nfs/dbraw/zinc/39/31/69/1073393169.db2.gz BARJHMRFFCVRJA-OXQOHEQNSA-N 1 1 442.630 0.699 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC001618464260 1073393374 /nfs/dbraw/zinc/39/33/74/1073393374.db2.gz BARJHMRFFCVRJA-UZLBHIALSA-N 1 1 442.630 0.699 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(CN3CCCC3=O)nnc2N(CCO)Cc2ccccc2)C1 ZINC001618464655 1073393250 /nfs/dbraw/zinc/39/32/50/1073393250.db2.gz CMZIRABPLUNGSP-JOCHJYFZSA-N 1 1 428.537 0.466 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(CN3CCCC3=O)nnc2N(CCO)Cc2ccccc2)C1 ZINC001618464660 1073393238 /nfs/dbraw/zinc/39/32/38/1073393238.db2.gz CMZIRABPLUNGSP-QFIPXVFZSA-N 1 1 428.537 0.466 20 0 ICADMO CN(Cc1ccon1)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001618465514 1073393229 /nfs/dbraw/zinc/39/32/29/1073393229.db2.gz GJIDGAHLOWSFRF-IBGZPJMESA-N 1 1 431.522 0.961 20 0 ICADMO CN(Cc1ccon1)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001618465515 1073393452 /nfs/dbraw/zinc/39/34/52/1073393452.db2.gz GJIDGAHLOWSFRF-LJQANCHMSA-N 1 1 431.522 0.961 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(CC3CC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C1 ZINC001618465546 1073393210 /nfs/dbraw/zinc/39/32/10/1073393210.db2.gz GYSGIXLMPPZNEE-IBGZPJMESA-N 1 1 426.587 0.063 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(CC3CC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C1 ZINC001618465547 1073393313 /nfs/dbraw/zinc/39/33/13/1073393313.db2.gz GYSGIXLMPPZNEE-LJQANCHMSA-N 1 1 426.587 0.063 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c([C@@H]3CCCOC3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001618465574 1073393189 /nfs/dbraw/zinc/39/31/89/1073393189.db2.gz HLAWOTQCFJDTCR-BEFAXECRSA-N 1 1 427.571 0.252 20 0 ICADMO C[N@@H+]1CC[C@@](O)(Cn2c([C@@H]3CCCOC3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001618465574 1073393183 /nfs/dbraw/zinc/39/31/83/1073393183.db2.gz HLAWOTQCFJDTCR-BEFAXECRSA-N 1 1 427.571 0.252 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c([C@@H]3CCCOC3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001618465576 1073393417 /nfs/dbraw/zinc/39/34/17/1073393417.db2.gz HLAWOTQCFJDTCR-DNVCBOLYSA-N 1 1 427.571 0.252 20 0 ICADMO C[N@@H+]1CC[C@](O)(Cn2c([C@@H]3CCCOC3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001618465576 1073393405 /nfs/dbraw/zinc/39/34/05/1073393405.db2.gz HLAWOTQCFJDTCR-DNVCBOLYSA-N 1 1 427.571 0.252 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c([C@H]3CCCOC3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001618465578 1073393354 /nfs/dbraw/zinc/39/33/54/1073393354.db2.gz HLAWOTQCFJDTCR-HNAYVOBHSA-N 1 1 427.571 0.252 20 0 ICADMO C[N@@H+]1CC[C@](O)(Cn2c([C@H]3CCCOC3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001618465578 1073393346 /nfs/dbraw/zinc/39/33/46/1073393346.db2.gz HLAWOTQCFJDTCR-HNAYVOBHSA-N 1 1 427.571 0.252 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c([C@H]3CCCOC3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001618465580 1073393267 /nfs/dbraw/zinc/39/32/67/1073393267.db2.gz HLAWOTQCFJDTCR-KXBFYZLASA-N 1 1 427.571 0.252 20 0 ICADMO C[N@@H+]1CC[C@@](O)(Cn2c([C@H]3CCCOC3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001618465580 1073393261 /nfs/dbraw/zinc/39/32/61/1073393261.db2.gz HLAWOTQCFJDTCR-KXBFYZLASA-N 1 1 427.571 0.252 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(CC3CC3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001618466025 1073393437 /nfs/dbraw/zinc/39/34/37/1073393437.db2.gz JGLBIOFLFYKCRJ-KBXCAEBGSA-N 1 1 430.475 0.802 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(CC3CC3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001618466030 1073393279 /nfs/dbraw/zinc/39/32/79/1073393279.db2.gz JGLBIOFLFYKCRJ-KDOFPFPSSA-N 1 1 430.475 0.802 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(CC3CC3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001618466033 1073393221 /nfs/dbraw/zinc/39/32/21/1073393221.db2.gz JGLBIOFLFYKCRJ-KSSFIOAISA-N 1 1 430.475 0.802 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(CC3CC3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001618466036 1073393883 /nfs/dbraw/zinc/39/38/83/1073393883.db2.gz JGLBIOFLFYKCRJ-RDTXWAMCSA-N 1 1 430.475 0.802 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCO)CCc2ccccc2)C1 ZINC001618466054 1073393745 /nfs/dbraw/zinc/39/37/45/1073393745.db2.gz JJQBPLGAKCRTBU-AVRDEDQJSA-N 1 1 428.537 0.337 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c([C@H]3CCC(=O)N3)nnc2N(CCO)CCc2ccccc2)C1 ZINC001618466055 1073393851 /nfs/dbraw/zinc/39/38/51/1073393851.db2.gz JJQBPLGAKCRTBU-GCJKJVERSA-N 1 1 428.537 0.337 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCO)CCc2ccccc2)C1 ZINC001618466056 1073393895 /nfs/dbraw/zinc/39/38/95/1073393895.db2.gz JJQBPLGAKCRTBU-PGRDOPGGSA-N 1 1 428.537 0.337 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c([C@H]3CCC(=O)N3)nnc2N(CCO)CCc2ccccc2)C1 ZINC001618466058 1073393867 /nfs/dbraw/zinc/39/38/67/1073393867.db2.gz JJQBPLGAKCRTBU-XMSQKQJNSA-N 1 1 428.537 0.337 20 0 ICADMO CN(CCCNC(=O)C1CCC1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001618466156 1073393992 /nfs/dbraw/zinc/39/39/92/1073393992.db2.gz KJJICINBDQMXIS-JOCHJYFZSA-N 1 1 447.584 0.210 20 0 ICADMO CN(CCCNC(=O)C1CCC1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001618466159 1073393731 /nfs/dbraw/zinc/39/37/31/1073393731.db2.gz KJJICINBDQMXIS-QFIPXVFZSA-N 1 1 447.584 0.210 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(Cc3ccncc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001618466257 1073393715 /nfs/dbraw/zinc/39/37/15/1073393715.db2.gz LPFXFWMDZGAXRW-GHTZIAJQSA-N 1 1 448.593 0.734 20 0 ICADMO C[N@@H+]1CC[C@](O)(Cn2c(Cc3ccncc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001618466257 1073393708 /nfs/dbraw/zinc/39/37/08/1073393708.db2.gz LPFXFWMDZGAXRW-GHTZIAJQSA-N 1 1 448.593 0.734 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(Cc3ccncc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001618466258 1073393921 /nfs/dbraw/zinc/39/39/21/1073393921.db2.gz LPFXFWMDZGAXRW-NQIIRXRSSA-N 1 1 448.593 0.734 20 0 ICADMO C[N@@H+]1CC[C@@](O)(Cn2c(Cc3ccncc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001618466258 1073393914 /nfs/dbraw/zinc/39/39/14/1073393914.db2.gz LPFXFWMDZGAXRW-NQIIRXRSSA-N 1 1 448.593 0.734 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(Cc3ccncc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001618466259 1073393796 /nfs/dbraw/zinc/39/37/96/1073393796.db2.gz LPFXFWMDZGAXRW-RXVVDRJESA-N 1 1 448.593 0.734 20 0 ICADMO C[N@@H+]1CC[C@@](O)(Cn2c(Cc3ccncc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001618466259 1073393790 /nfs/dbraw/zinc/39/37/90/1073393790.db2.gz LPFXFWMDZGAXRW-RXVVDRJESA-N 1 1 448.593 0.734 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(Cc3ccncc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001618466260 1073393968 /nfs/dbraw/zinc/39/39/68/1073393968.db2.gz LPFXFWMDZGAXRW-WIYYLYMNSA-N 1 1 448.593 0.734 20 0 ICADMO C[N@@H+]1CC[C@](O)(Cn2c(Cc3ccncc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001618466260 1073393960 /nfs/dbraw/zinc/39/39/60/1073393960.db2.gz LPFXFWMDZGAXRW-WIYYLYMNSA-N 1 1 448.593 0.734 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC2(C)C)C1 ZINC001618466391 1073393825 /nfs/dbraw/zinc/39/38/25/1073393825.db2.gz MTYTZYAJRQKLPJ-BEFAXECRSA-N 1 1 442.586 0.056 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC2(C)C)C1 ZINC001618466393 1073393840 /nfs/dbraw/zinc/39/38/40/1073393840.db2.gz MTYTZYAJRQKLPJ-DNVCBOLYSA-N 1 1 442.586 0.056 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC2(C)C)C1 ZINC001618466395 1073393678 /nfs/dbraw/zinc/39/36/78/1073393678.db2.gz MTYTZYAJRQKLPJ-HNAYVOBHSA-N 1 1 442.586 0.056 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC2(C)C)C1 ZINC001618466397 1073394011 /nfs/dbraw/zinc/39/40/11/1073394011.db2.gz MTYTZYAJRQKLPJ-KXBFYZLASA-N 1 1 442.586 0.056 20 0 ICADMO CN(CCS(C)(=O)=O)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001618466524 1073393939 /nfs/dbraw/zinc/39/39/39/1073393939.db2.gz AJUKIXXKRBKNBV-IBGZPJMESA-N 1 1 437.522 0.221 20 0 ICADMO CN(CCS(C)(=O)=O)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001618466526 1073393765 /nfs/dbraw/zinc/39/37/65/1073393765.db2.gz AJUKIXXKRBKNBV-LJQANCHMSA-N 1 1 437.522 0.221 20 0 ICADMO CN(CCCS(C)(=O)=O)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001618466676 1073394249 /nfs/dbraw/zinc/39/42/49/1073394249.db2.gz NWPDVRRUIKFBOQ-GOSISDBHSA-N 1 1 427.596 0.868 20 0 ICADMO CN(CCCS(C)(=O)=O)c1nnc(Cc2ccsc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001618466677 1073394455 /nfs/dbraw/zinc/39/44/55/1073394455.db2.gz NWPDVRRUIKFBOQ-SFHVURJKSA-N 1 1 427.596 0.868 20 0 ICADMO CN(Cc1ccc(C(N)=O)cc1)c1nnc([C@H]2CCCOC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001618466706 1073394279 /nfs/dbraw/zinc/39/42/79/1073394279.db2.gz OLKMBYVCMCBBDK-AVRDEDQJSA-N 1 1 428.537 0.974 20 0 ICADMO CN(Cc1ccc(C(N)=O)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001618466707 1073394428 /nfs/dbraw/zinc/39/44/28/1073394428.db2.gz OLKMBYVCMCBBDK-GCJKJVERSA-N 1 1 428.537 0.974 20 0 ICADMO CN(Cc1ccc(C(N)=O)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001618466708 1073394385 /nfs/dbraw/zinc/39/43/85/1073394385.db2.gz OLKMBYVCMCBBDK-PGRDOPGGSA-N 1 1 428.537 0.974 20 0 ICADMO CN(Cc1ccc(C(N)=O)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001618466709 1073394545 /nfs/dbraw/zinc/39/45/45/1073394545.db2.gz OLKMBYVCMCBBDK-XMSQKQJNSA-N 1 1 428.537 0.974 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)C1 ZINC001618467051 1073394219 /nfs/dbraw/zinc/39/42/19/1073394219.db2.gz QFCCRSLQFYSHHR-KBXCAEBGSA-N 1 1 445.490 0.370 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)C1 ZINC001618467054 1073394565 /nfs/dbraw/zinc/39/45/65/1073394565.db2.gz QFCCRSLQFYSHHR-KDOFPFPSSA-N 1 1 445.490 0.370 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)C1 ZINC001618467056 1073394312 /nfs/dbraw/zinc/39/43/12/1073394312.db2.gz QFCCRSLQFYSHHR-KSSFIOAISA-N 1 1 445.490 0.370 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)C1 ZINC001618467059 1073394585 /nfs/dbraw/zinc/39/45/85/1073394585.db2.gz QFCCRSLQFYSHHR-RDTXWAMCSA-N 1 1 445.490 0.370 20 0 ICADMO CN(C)C(=O)CN1CCN(c2nnc(CC3CCCC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001618467120 1073394412 /nfs/dbraw/zinc/39/44/12/1073394412.db2.gz RBAVCKMVAOQYCR-JOCHJYFZSA-N 1 1 433.601 0.288 20 0 ICADMO CN(C)C(=O)CN1CCN(c2nnc(CC3CCCC3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001618467121 1073394193 /nfs/dbraw/zinc/39/41/93/1073394193.db2.gz RBAVCKMVAOQYCR-QFIPXVFZSA-N 1 1 433.601 0.288 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c([C@H]3CCCCO3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001618467246 1073394166 /nfs/dbraw/zinc/39/41/66/1073394166.db2.gz SZXFJUTWUDIJLB-APWZRJJASA-N 1 1 427.571 0.600 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001618467247 1073394482 /nfs/dbraw/zinc/39/44/82/1073394482.db2.gz SZXFJUTWUDIJLB-LPHOPBHVSA-N 1 1 427.571 0.600 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001618467248 1073394397 /nfs/dbraw/zinc/39/43/97/1073394397.db2.gz SZXFJUTWUDIJLB-QFBILLFUSA-N 1 1 427.571 0.600 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c([C@H]3CCCCO3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001618467249 1073394524 /nfs/dbraw/zinc/39/45/24/1073394524.db2.gz SZXFJUTWUDIJLB-VQIMIIECSA-N 1 1 427.571 0.600 20 0 ICADMO CN(CCS(C)(=O)=O)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001618467691 1073394362 /nfs/dbraw/zinc/39/43/62/1073394362.db2.gz WMWITAZMRFUFGZ-IBGZPJMESA-N 1 1 443.520 0.695 20 0 ICADMO CN(CCS(C)(=O)=O)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001618467691 1073394353 /nfs/dbraw/zinc/39/43/53/1073394353.db2.gz WMWITAZMRFUFGZ-IBGZPJMESA-N 1 1 443.520 0.695 20 0 ICADMO CN(CCS(C)(=O)=O)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001618467692 1073395062 /nfs/dbraw/zinc/39/50/62/1073395062.db2.gz WMWITAZMRFUFGZ-LJQANCHMSA-N 1 1 443.520 0.695 20 0 ICADMO CN(CCS(C)(=O)=O)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001618467692 1073395051 /nfs/dbraw/zinc/39/50/51/1073395051.db2.gz WMWITAZMRFUFGZ-LJQANCHMSA-N 1 1 443.520 0.695 20 0 ICADMO CN(CCS(C)(=O)=O)c1nnc(Cc2ccccc2F)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001618467828 1073395030 /nfs/dbraw/zinc/39/50/30/1073395030.db2.gz XGACFLMGIDBUEK-IBGZPJMESA-N 1 1 425.530 0.555 20 0 ICADMO CN(CCS(C)(=O)=O)c1nnc(Cc2ccccc2F)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001618467828 1073395016 /nfs/dbraw/zinc/39/50/16/1073395016.db2.gz XGACFLMGIDBUEK-IBGZPJMESA-N 1 1 425.530 0.555 20 0 ICADMO CN(CCS(C)(=O)=O)c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001618467829 1073395487 /nfs/dbraw/zinc/39/54/87/1073395487.db2.gz XGACFLMGIDBUEK-LJQANCHMSA-N 1 1 425.530 0.555 20 0 ICADMO CN(CCS(C)(=O)=O)c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001618467829 1073395477 /nfs/dbraw/zinc/39/54/77/1073395477.db2.gz XGACFLMGIDBUEK-LJQANCHMSA-N 1 1 425.530 0.555 20 0 ICADMO CN(CCN1CCOCC1)c1nnc(CCOc2ccccc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001618467832 1073394921 /nfs/dbraw/zinc/39/49/21/1073394921.db2.gz XGPXTEOHIOATHZ-HSZRJFAPSA-N 1 1 444.580 0.735 20 0 ICADMO CN(CCN1CCOCC1)c1nnc(CCOc2ccccc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001618467841 1073395160 /nfs/dbraw/zinc/39/51/60/1073395160.db2.gz XGPXTEOHIOATHZ-QHCPKHFHSA-N 1 1 444.580 0.735 20 0 ICADMO CN(CC(=O)N1CCOCC1)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001618468056 1073395424 /nfs/dbraw/zinc/39/54/24/1073395424.db2.gz XVBSHZDLFCWAMW-JOCHJYFZSA-N 1 1 446.527 0.370 20 0 ICADMO CN(CC(=O)N1CCOCC1)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001618468058 1073395371 /nfs/dbraw/zinc/39/53/71/1073395371.db2.gz XVBSHZDLFCWAMW-QFIPXVFZSA-N 1 1 446.527 0.370 20 0 ICADMO CN(CCOCC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001618468108 1073394849 /nfs/dbraw/zinc/39/48/49/1073394849.db2.gz YDGLNINADFTAPD-APWZRJJASA-N 1 1 427.571 0.110 20 0 ICADMO CN(CCOCC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001618468108 1073394842 /nfs/dbraw/zinc/39/48/42/1073394842.db2.gz YDGLNINADFTAPD-APWZRJJASA-N 1 1 427.571 0.110 20 0 ICADMO CN(CCOCC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001618468111 1073394890 /nfs/dbraw/zinc/39/48/90/1073394890.db2.gz YDGLNINADFTAPD-LPHOPBHVSA-N 1 1 427.571 0.110 20 0 ICADMO CN(CCOCC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001618468111 1073394875 /nfs/dbraw/zinc/39/48/75/1073394875.db2.gz YDGLNINADFTAPD-LPHOPBHVSA-N 1 1 427.571 0.110 20 0 ICADMO CN(CCOCC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001618468115 1073395125 /nfs/dbraw/zinc/39/51/25/1073395125.db2.gz YDGLNINADFTAPD-QFBILLFUSA-N 1 1 427.571 0.110 20 0 ICADMO CN(CCOCC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001618468115 1073395116 /nfs/dbraw/zinc/39/51/16/1073395116.db2.gz YDGLNINADFTAPD-QFBILLFUSA-N 1 1 427.571 0.110 20 0 ICADMO CN(CCOCC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001618468118 1073395096 /nfs/dbraw/zinc/39/50/96/1073395096.db2.gz YDGLNINADFTAPD-VQIMIIECSA-N 1 1 427.571 0.110 20 0 ICADMO CN(CCOCC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001618468118 1073395088 /nfs/dbraw/zinc/39/50/88/1073395088.db2.gz YDGLNINADFTAPD-VQIMIIECSA-N 1 1 427.571 0.110 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC=C(Br)C2)C1 ZINC001618468279 1073395396 /nfs/dbraw/zinc/39/53/96/1073395396.db2.gz YZTIPZUGTLBNLP-CXAGYDPISA-N 1 1 425.331 0.785 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC=C(Br)C2)C1 ZINC001618468281 1073394988 /nfs/dbraw/zinc/39/49/88/1073394988.db2.gz YZTIPZUGTLBNLP-DYVFJYSZSA-N 1 1 425.331 0.785 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC=C(Br)C2)C1 ZINC001618468283 1073395453 /nfs/dbraw/zinc/39/54/53/1073395453.db2.gz YZTIPZUGTLBNLP-GUYCJALGSA-N 1 1 425.331 0.785 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC=C(Br)C2)C1 ZINC001618468285 1073395142 /nfs/dbraw/zinc/39/51/42/1073395142.db2.gz YZTIPZUGTLBNLP-SUMWQHHRSA-N 1 1 425.331 0.785 20 0 ICADMO CN(C[C@@H]1CCCN(c2nnc(CC3CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC001618468430 1073396029 /nfs/dbraw/zinc/39/60/29/1073396029.db2.gz ZMLLSGVROYSXCC-FXAWDEMLSA-N 1 1 440.614 0.405 20 0 ICADMO CN(C[C@@H]1CCCN(c2nnc(CC3CC3)n2C[C@]2(O)CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC001618468432 1073395760 /nfs/dbraw/zinc/39/57/60/1073395760.db2.gz ZMLLSGVROYSXCC-PXNSSMCTSA-N 1 1 440.614 0.405 20 0 ICADMO CN(C[C@H]1CCCN(c2nnc(CC3CC3)n2C[C@]2(O)CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC001618468435 1073395929 /nfs/dbraw/zinc/39/59/29/1073395929.db2.gz ZMLLSGVROYSXCC-XLIONFOSSA-N 1 1 440.614 0.405 20 0 ICADMO CN(C[C@H]1CCCN(c2nnc(CC3CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC001618468436 1073395685 /nfs/dbraw/zinc/39/56/85/1073395685.db2.gz ZMLLSGVROYSXCC-YLJYHZDGSA-N 1 1 440.614 0.405 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(-c3ccccn3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C1 ZINC001618468612 1073396007 /nfs/dbraw/zinc/39/60/07/1073396007.db2.gz MJYCDFBYJYVTJC-FQEVSTJZSA-N 1 1 449.581 0.172 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(-c3ccccn3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C1 ZINC001618468613 1073395614 /nfs/dbraw/zinc/39/56/14/1073395614.db2.gz MJYCDFBYJYVTJC-HXUWFJFHSA-N 1 1 449.581 0.172 20 0 ICADMO CN(Cc1cccc(C(N)=O)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001618468849 1073395809 /nfs/dbraw/zinc/39/58/09/1073395809.db2.gz NZTWBCXMDVCEHV-JOCHJYFZSA-N 1 1 441.536 0.316 20 0 ICADMO CN(Cc1cccc(C(N)=O)c1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001618468851 1073396110 /nfs/dbraw/zinc/39/61/10/1073396110.db2.gz NZTWBCXMDVCEHV-QFIPXVFZSA-N 1 1 441.536 0.316 20 0 ICADMO CN(c1nnc(-c2ccc[nH]2)n1C[C@]1(O)CC[N@@H+](C)C1)C1CCN(S(C)(=O)=O)CC1 ZINC001618468898 1073395884 /nfs/dbraw/zinc/39/58/84/1073395884.db2.gz OKDNERNPXHHXQD-IBGZPJMESA-N 1 1 437.570 0.200 20 0 ICADMO CN(c1nnc(-c2ccc[nH]2)n1C[C@@]1(O)CC[N@@H+](C)C1)C1CCN(S(C)(=O)=O)CC1 ZINC001618468901 1073395788 /nfs/dbraw/zinc/39/57/88/1073395788.db2.gz OKDNERNPXHHXQD-LJQANCHMSA-N 1 1 437.570 0.200 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(-c3ccccn3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001618469322 1073396829 /nfs/dbraw/zinc/39/68/29/1073396829.db2.gz TXXVGNKSSWXETH-JXFKEZNVSA-N 1 1 434.566 0.810 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(-c3ccccn3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001618469323 1073396417 /nfs/dbraw/zinc/39/64/17/1073396417.db2.gz TXXVGNKSSWXETH-OXJNMPFZSA-N 1 1 434.566 0.810 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(-c3ccccn3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001618469324 1073396535 /nfs/dbraw/zinc/39/65/35/1073396535.db2.gz TXXVGNKSSWXETH-OXQOHEQNSA-N 1 1 434.566 0.810 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(-c3ccccn3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001618469325 1073396732 /nfs/dbraw/zinc/39/67/32/1073396732.db2.gz TXXVGNKSSWXETH-UZLBHIALSA-N 1 1 434.566 0.810 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(-c3cccc(Cl)c3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001618469372 1073396461 /nfs/dbraw/zinc/39/64/61/1073396461.db2.gz UVPAGWADLOEVHV-GOSISDBHSA-N 1 1 425.942 0.900 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(-c3cccc(Cl)c3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001618469373 1073396762 /nfs/dbraw/zinc/39/67/62/1073396762.db2.gz UVPAGWADLOEVHV-SFHVURJKSA-N 1 1 425.942 0.900 20 0 ICADMO CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001618469376 1073396363 /nfs/dbraw/zinc/39/63/63/1073396363.db2.gz UYOYDHWEDWFJAB-NRFANRHFSA-N 1 1 448.955 0.960 20 0 ICADMO CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001618469377 1073396637 /nfs/dbraw/zinc/39/66/37/1073396637.db2.gz UYOYDHWEDWFJAB-OAQYLSRUSA-N 1 1 448.955 0.960 20 0 ICADMO CN(C[C@@H]1CCCCO1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001618469464 1073396315 /nfs/dbraw/zinc/39/63/15/1073396315.db2.gz WZHBNTOBSVQQKH-HRAATJIYSA-N 1 1 429.525 0.997 20 0 ICADMO CN(C[C@H]1CCCCO1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001618469465 1073396654 /nfs/dbraw/zinc/39/66/54/1073396654.db2.gz WZHBNTOBSVQQKH-IERDGZPVSA-N 1 1 429.525 0.997 20 0 ICADMO CN(C[C@H]1CCCCO1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001618469466 1073396808 /nfs/dbraw/zinc/39/68/08/1073396808.db2.gz WZHBNTOBSVQQKH-IIBYNOLFSA-N 1 1 429.525 0.997 20 0 ICADMO CN(C[C@@H]1CCCCO1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001618469467 1073396392 /nfs/dbraw/zinc/39/63/92/1073396392.db2.gz WZHBNTOBSVQQKH-KKSFZXQISA-N 1 1 429.525 0.997 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC001618469500 1073396379 /nfs/dbraw/zinc/39/63/79/1073396379.db2.gz XKOPQEMVIZRWCM-BEFAXECRSA-N 1 1 437.570 0.105 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC001618469501 1073397495 /nfs/dbraw/zinc/39/74/95/1073397495.db2.gz XKOPQEMVIZRWCM-DNVCBOLYSA-N 1 1 437.570 0.105 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC001618469502 1073397343 /nfs/dbraw/zinc/39/73/43/1073397343.db2.gz XKOPQEMVIZRWCM-HNAYVOBHSA-N 1 1 437.570 0.105 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC001618469503 1073397118 /nfs/dbraw/zinc/39/71/18/1073397118.db2.gz XKOPQEMVIZRWCM-KXBFYZLASA-N 1 1 437.570 0.105 20 0 ICADMO CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001618469598 1073397404 /nfs/dbraw/zinc/39/74/04/1073397404.db2.gz ZJBMTEQEMXBHPZ-NRFANRHFSA-N 1 1 432.573 0.292 20 0 ICADMO CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001618469599 1073397264 /nfs/dbraw/zinc/39/72/64/1073397264.db2.gz ZJBMTEQEMXBHPZ-OAQYLSRUSA-N 1 1 432.573 0.292 20 0 ICADMO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1F)CCC(=O)NC(=O)NCC(F)(F)F ZINC001618471024 1073397555 /nfs/dbraw/zinc/39/75/55/1073397555.db2.gz FJQOVILRCZCPAQ-UHFFFAOYSA-N 1 1 444.407 0.562 20 0 ICADMO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1F)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC001618471257 1073397531 /nfs/dbraw/zinc/39/75/31/1073397531.db2.gz FUIAGGBGWOFGFI-HNNXBMFYSA-N 1 1 437.493 0.904 20 0 ICADMO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC001618471257 1073397521 /nfs/dbraw/zinc/39/75/21/1073397521.db2.gz FUIAGGBGWOFGFI-HNNXBMFYSA-N 1 1 437.493 0.904 20 0 ICADMO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1F)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC001618471258 1073397023 /nfs/dbraw/zinc/39/70/23/1073397023.db2.gz FUIAGGBGWOFGFI-OAHLLOKOSA-N 1 1 437.493 0.904 20 0 ICADMO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC001618471258 1073397015 /nfs/dbraw/zinc/39/70/15/1073397015.db2.gz FUIAGGBGWOFGFI-OAHLLOKOSA-N 1 1 437.493 0.904 20 0 ICADMO COC(=O)C1(NC(=O)C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)CCCCC1 ZINC001618471326 1073397240 /nfs/dbraw/zinc/39/72/40/1073397240.db2.gz ICVCEPFLHHRZLY-UHFFFAOYSA-N 1 1 445.513 0.776 20 0 ICADMO COC(=O)C1(NC(=O)C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)CCCCC1 ZINC001618471326 1073397224 /nfs/dbraw/zinc/39/72/24/1073397224.db2.gz ICVCEPFLHHRZLY-UHFFFAOYSA-N 1 1 445.513 0.776 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(N3CCC[C@H](N4CCCS4(=O)=O)C3)nnc2C(C)(C)C)C1 ZINC001618471406 1073397326 /nfs/dbraw/zinc/39/73/26/1073397326.db2.gz HMAIFSJHCDGWSU-JXFKEZNVSA-N 1 1 440.614 0.647 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(N3CCC[C@H](N4CCCS4(=O)=O)C3)nnc2C(C)(C)C)C1 ZINC001618471412 1073397147 /nfs/dbraw/zinc/39/71/47/1073397147.db2.gz HMAIFSJHCDGWSU-OXJNMPFZSA-N 1 1 440.614 0.647 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(N3CCC[C@@H](N4CCCS4(=O)=O)C3)nnc2C(C)(C)C)C1 ZINC001618471416 1073397093 /nfs/dbraw/zinc/39/70/93/1073397093.db2.gz HMAIFSJHCDGWSU-OXQOHEQNSA-N 1 1 440.614 0.647 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(N3CCC[C@@H](N4CCCS4(=O)=O)C3)nnc2C(C)(C)C)C1 ZINC001618471419 1073397581 /nfs/dbraw/zinc/39/75/81/1073397581.db2.gz HMAIFSJHCDGWSU-UZLBHIALSA-N 1 1 440.614 0.647 20 0 ICADMO C[N@@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(C)(C)CN1CCOCC1 ZINC001618471650 1073397069 /nfs/dbraw/zinc/39/70/69/1073397069.db2.gz KVTWHYCCFOWYJO-UHFFFAOYSA-N 1 1 426.583 0.425 20 0 ICADMO CN(C[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC001618472274 1073397048 /nfs/dbraw/zinc/39/70/48/1073397048.db2.gz LZZHSKIQZXJBAV-JXFKEZNVSA-N 1 1 442.630 0.750 20 0 ICADMO CN(C[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC001618472276 1073397614 /nfs/dbraw/zinc/39/76/14/1073397614.db2.gz LZZHSKIQZXJBAV-OXJNMPFZSA-N 1 1 442.630 0.750 20 0 ICADMO CN(C[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC001618472277 1073397176 /nfs/dbraw/zinc/39/71/76/1073397176.db2.gz LZZHSKIQZXJBAV-OXQOHEQNSA-N 1 1 442.630 0.750 20 0 ICADMO CN(C[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC001618472278 1073397364 /nfs/dbraw/zinc/39/73/64/1073397364.db2.gz LZZHSKIQZXJBAV-UZLBHIALSA-N 1 1 442.630 0.750 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001618473057 1073398086 /nfs/dbraw/zinc/39/80/86/1073398086.db2.gz TXSZMTDISCLDSR-LEWJYISDSA-N 1 1 432.500 0.765 20 0 ICADMO C[N@H+]1CC[C@](O)(Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001618473058 1073397880 /nfs/dbraw/zinc/39/78/80/1073397880.db2.gz TXSZMTDISCLDSR-NHCUHLMSSA-N 1 1 432.500 0.765 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001618473059 1073398006 /nfs/dbraw/zinc/39/80/06/1073398006.db2.gz TXSZMTDISCLDSR-RTWAWAEBSA-N 1 1 432.500 0.765 20 0 ICADMO C[N@H+]1CC[C@@](O)(Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001618473060 1073397939 /nfs/dbraw/zinc/39/79/39/1073397939.db2.gz TXSZMTDISCLDSR-SFTDATJTSA-N 1 1 432.500 0.765 20 0 ICADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)(=O)CC1 ZINC001618473074 1073397805 /nfs/dbraw/zinc/39/78/05/1073397805.db2.gz UMIASZACCGSSOG-INIZCTEOSA-N 1 1 438.598 0.869 20 0 ICADMO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)(=O)CC1 ZINC001618473074 1073397791 /nfs/dbraw/zinc/39/77/91/1073397791.db2.gz UMIASZACCGSSOG-INIZCTEOSA-N 1 1 438.598 0.869 20 0 ICADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)(=O)CC1 ZINC001618473078 1073397997 /nfs/dbraw/zinc/39/79/97/1073397997.db2.gz UMIASZACCGSSOG-MRXNPFEDSA-N 1 1 438.598 0.869 20 0 ICADMO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)(=O)CC1 ZINC001618473078 1073397990 /nfs/dbraw/zinc/39/79/90/1073397990.db2.gz UMIASZACCGSSOG-MRXNPFEDSA-N 1 1 438.598 0.869 20 0 ICADMO Cn1ccc(Nc2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CC[N@@H+](C)C2)n1 ZINC001618473092 1073398110 /nfs/dbraw/zinc/39/81/10/1073398110.db2.gz UQGZFZFWLAGHOB-IBGZPJMESA-N 1 1 431.522 0.892 20 0 ICADMO Cn1ccc(Nc2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)n1 ZINC001618473093 1073397962 /nfs/dbraw/zinc/39/79/62/1073397962.db2.gz UQGZFZFWLAGHOB-LJQANCHMSA-N 1 1 431.522 0.892 20 0 ICADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CC(=O)NCC2CC2)CC1 ZINC001618474048 1073397907 /nfs/dbraw/zinc/39/79/07/1073397907.db2.gz CWLXDQHPHNRPHF-KRWDZBQOSA-N 1 1 431.585 0.845 20 0 ICADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CC(=O)NCC2CC2)CC1 ZINC001618474049 1073398021 /nfs/dbraw/zinc/39/80/21/1073398021.db2.gz CWLXDQHPHNRPHF-QGZVFWFLSA-N 1 1 431.585 0.845 20 0 ICADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC(=O)N2)CC1 ZINC001618474584 1073398050 /nfs/dbraw/zinc/39/80/50/1073398050.db2.gz GSJVXMJPUNLFOZ-IAGOWNOFSA-N 1 1 431.585 0.888 20 0 ICADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC(=O)N2)CC1 ZINC001618474585 1073397838 /nfs/dbraw/zinc/39/78/38/1073397838.db2.gz GSJVXMJPUNLFOZ-SJORKVTESA-N 1 1 431.585 0.888 20 0 ICADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(CC3CC3)n2CC(=O)NCC(F)F)CC1 ZINC001618475250 1073398738 /nfs/dbraw/zinc/39/87/38/1073398738.db2.gz LUDQUYYYRKKUDX-HNNXBMFYSA-N 1 1 439.511 0.355 20 0 ICADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(CC3CC3)n2CC(=O)NCC(F)F)CC1 ZINC001618475251 1073398448 /nfs/dbraw/zinc/39/84/48/1073398448.db2.gz LUDQUYYYRKKUDX-OAHLLOKOSA-N 1 1 439.511 0.355 20 0 ICADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCS(C)(=O)=O)CC1 ZINC001618476107 1073399099 /nfs/dbraw/zinc/39/90/99/1073399099.db2.gz UYDFGHJGMOTYHD-HNNXBMFYSA-N 1 1 426.587 0.363 20 0 ICADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCS(C)(=O)=O)CC1 ZINC001618476115 1073399258 /nfs/dbraw/zinc/39/92/58/1073399258.db2.gz UYDFGHJGMOTYHD-OAHLLOKOSA-N 1 1 426.587 0.363 20 0 ICADMO CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCSCC2)CC1=O ZINC001618476453 1073399059 /nfs/dbraw/zinc/39/90/59/1073399059.db2.gz OOMJLTFLUFKIKY-UHFFFAOYSA-N 1 1 430.538 0.253 20 0 ICADMO C[N@H+]1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCCOCC2)CC1(C)C ZINC001618488324 1073405384 /nfs/dbraw/zinc/40/53/84/1073405384.db2.gz JYODFPGGVTYCJC-KRWDZBQOSA-N 1 1 440.614 0.433 20 0 ICADMO C[N@H+]1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCCOCC2)CC1(C)C ZINC001618488327 1073405315 /nfs/dbraw/zinc/40/53/15/1073405315.db2.gz JYODFPGGVTYCJC-QGZVFWFLSA-N 1 1 440.614 0.433 20 0 ICADMO Cn1cc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cn1 ZINC001618488337 1073405361 /nfs/dbraw/zinc/40/53/61/1073405361.db2.gz KCIJCMVBCLBVNN-KRWDZBQOSA-N 1 1 443.600 0.796 20 0 ICADMO Cn1cc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cn1 ZINC001618488337 1073405356 /nfs/dbraw/zinc/40/53/56/1073405356.db2.gz KCIJCMVBCLBVNN-KRWDZBQOSA-N 1 1 443.600 0.796 20 0 ICADMO Cn1cc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC001618488337 1073405352 /nfs/dbraw/zinc/40/53/52/1073405352.db2.gz KCIJCMVBCLBVNN-KRWDZBQOSA-N 1 1 443.600 0.796 20 0 ICADMO Cn1cc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cn1 ZINC001618488338 1073405444 /nfs/dbraw/zinc/40/54/44/1073405444.db2.gz KCIJCMVBCLBVNN-QGZVFWFLSA-N 1 1 443.600 0.796 20 0 ICADMO Cn1cc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cn1 ZINC001618488338 1073405436 /nfs/dbraw/zinc/40/54/36/1073405436.db2.gz KCIJCMVBCLBVNN-QGZVFWFLSA-N 1 1 443.600 0.796 20 0 ICADMO Cn1cc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC001618488338 1073405430 /nfs/dbraw/zinc/40/54/30/1073405430.db2.gz KCIJCMVBCLBVNN-QGZVFWFLSA-N 1 1 443.600 0.796 20 0 ICADMO CN1CC[N@@H+](CCn2c(Cc3cccnc3)nnc2N2CCC(C(N)=O)CC2)CC1(C)C ZINC001618488512 1073406430 /nfs/dbraw/zinc/40/64/30/1073406430.db2.gz NTRXFCMRPIEDRS-UHFFFAOYSA-N 1 1 440.596 0.992 20 0 ICADMO CN1CC[N@H+](CCn2c(Cc3cccnc3)nnc2N2CCC(C(N)=O)CC2)CC1(C)C ZINC001618488512 1073406420 /nfs/dbraw/zinc/40/64/20/1073406420.db2.gz NTRXFCMRPIEDRS-UHFFFAOYSA-N 1 1 440.596 0.992 20 0 ICADMO C[N@H+]1CCN(CCn2c(Cc3cccnc3)nnc2N2CCC(C(N)=O)CC2)CC1(C)C ZINC001618488512 1073406411 /nfs/dbraw/zinc/40/64/11/1073406411.db2.gz NTRXFCMRPIEDRS-UHFFFAOYSA-N 1 1 440.596 0.992 20 0 ICADMO CN1CC[N@@H+](CCn2c(-c3cnccn3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1(C)C ZINC001618489187 1073406631 /nfs/dbraw/zinc/40/66/31/1073406631.db2.gz TYOZYIIPJZDUJT-MRXNPFEDSA-N 1 1 427.557 0.463 20 0 ICADMO CN1CC[N@H+](CCn2c(-c3cnccn3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1(C)C ZINC001618489187 1073406615 /nfs/dbraw/zinc/40/66/15/1073406615.db2.gz TYOZYIIPJZDUJT-MRXNPFEDSA-N 1 1 427.557 0.463 20 0 ICADMO C[N@H+]1CCN(CCn2c(-c3cnccn3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1(C)C ZINC001618489187 1073406602 /nfs/dbraw/zinc/40/66/02/1073406602.db2.gz TYOZYIIPJZDUJT-MRXNPFEDSA-N 1 1 427.557 0.463 20 0 ICADMO CN1CC[N@@H+](CCn2c(CN3CCCC3=O)nnc2N2CCC(C(N)=O)CC2)CC1(C)C ZINC001618489263 1073406516 /nfs/dbraw/zinc/40/65/16/1073406516.db2.gz UQJBTQWPVPIQIN-UHFFFAOYSA-N 1 1 446.600 0.128 20 0 ICADMO CN1CC[N@H+](CCn2c(CN3CCCC3=O)nnc2N2CCC(C(N)=O)CC2)CC1(C)C ZINC001618489263 1073406513 /nfs/dbraw/zinc/40/65/13/1073406513.db2.gz UQJBTQWPVPIQIN-UHFFFAOYSA-N 1 1 446.600 0.128 20 0 ICADMO C[N@H+]1CCN(CCn2c(CN3CCCC3=O)nnc2N2CCC(C(N)=O)CC2)CC1(C)C ZINC001618489263 1073406506 /nfs/dbraw/zinc/40/65/06/1073406506.db2.gz UQJBTQWPVPIQIN-UHFFFAOYSA-N 1 1 446.600 0.128 20 0 ICADMO CN1CC[N@@H+](CCn2c(Cc3cccnc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1(C)C ZINC001618489380 1073406475 /nfs/dbraw/zinc/40/64/75/1073406475.db2.gz YEGJLJLNCYSWET-IBGZPJMESA-N 1 1 440.596 0.992 20 0 ICADMO CN1CC[N@H+](CCn2c(Cc3cccnc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1(C)C ZINC001618489380 1073406466 /nfs/dbraw/zinc/40/64/66/1073406466.db2.gz YEGJLJLNCYSWET-IBGZPJMESA-N 1 1 440.596 0.992 20 0 ICADMO C[N@H+]1CCN(CCn2c(Cc3cccnc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1(C)C ZINC001618489380 1073406461 /nfs/dbraw/zinc/40/64/61/1073406461.db2.gz YEGJLJLNCYSWET-IBGZPJMESA-N 1 1 440.596 0.992 20 0 ICADMO CN1CC[N@@H+](CCn2c(Cc3cccnc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1(C)C ZINC001618489381 1073406042 /nfs/dbraw/zinc/40/60/42/1073406042.db2.gz YEGJLJLNCYSWET-LJQANCHMSA-N 1 1 440.596 0.992 20 0 ICADMO CN1CC[N@H+](CCn2c(Cc3cccnc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1(C)C ZINC001618489381 1073406010 /nfs/dbraw/zinc/40/60/10/1073406010.db2.gz YEGJLJLNCYSWET-LJQANCHMSA-N 1 1 440.596 0.992 20 0 ICADMO C[N@H+]1CCN(CCn2c(Cc3cccnc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1(C)C ZINC001618489381 1073405983 /nfs/dbraw/zinc/40/59/83/1073405983.db2.gz YEGJLJLNCYSWET-LJQANCHMSA-N 1 1 440.596 0.992 20 0 ICADMO 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CNC(=O)C(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001618500052 1073409000 /nfs/dbraw/zinc/40/90/00/1073409000.db2.gz HNHSVTKJLOCXLK-UHFFFAOYSA-N 1 1 437.589 0.736 20 0 ICADMO CNC(=O)C(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001618500221 1073408960 /nfs/dbraw/zinc/40/89/60/1073408960.db2.gz JTEJOSIVRHFYRF-QGZVFWFLSA-N 1 1 449.600 0.737 20 0 ICADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001618501430 1073409848 /nfs/dbraw/zinc/40/98/48/1073409848.db2.gz WAVIDOZZRCLWKN-KBXCAEBGSA-N 1 1 445.969 0.691 20 0 ICADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001618501431 1073409734 /nfs/dbraw/zinc/40/97/34/1073409734.db2.gz WAVIDOZZRCLWKN-KSSFIOAISA-N 1 1 445.969 0.691 20 0 ICADMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1cnn2c1S(=O)(=O)N(C)CC2 ZINC001618504208 1073410680 /nfs/dbraw/zinc/41/06/80/1073410680.db2.gz NJXAVRQEYHCNDC-UHFFFAOYSA-N 1 1 432.550 0.411 20 0 ICADMO C[C@@H]1C[N@@H+](CCO)CCN1CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC001618504390 1073410458 /nfs/dbraw/zinc/41/04/58/1073410458.db2.gz SQWDMCODHXNVHV-GOSISDBHSA-N 1 1 438.594 0.476 20 0 ICADMO C[C@@H]1C[N@H+](CCO)CCN1CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC001618504390 1073410444 /nfs/dbraw/zinc/41/04/44/1073410444.db2.gz SQWDMCODHXNVHV-GOSISDBHSA-N 1 1 438.594 0.476 20 0 ICADMO C[C@H]1C[N@@H+](CCO)CCN1CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC001618504391 1073410659 /nfs/dbraw/zinc/41/06/59/1073410659.db2.gz SQWDMCODHXNVHV-SFHVURJKSA-N 1 1 438.594 0.476 20 0 ICADMO C[C@H]1C[N@H+](CCO)CCN1CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC001618504391 1073410649 /nfs/dbraw/zinc/41/06/49/1073410649.db2.gz SQWDMCODHXNVHV-SFHVURJKSA-N 1 1 438.594 0.476 20 0 ICADMO CN(CCCNC(=O)C[N@@H+](C)C[C@H](O)c1cccc(Br)c1)S(C)(=O)=O ZINC001618509966 1073411269 /nfs/dbraw/zinc/41/12/69/1073411269.db2.gz FLYRWDLIVVPPAH-HNNXBMFYSA-N 1 1 436.372 0.812 20 0 ICADMO CN(CCCNC(=O)C[N@H+](C)C[C@H](O)c1cccc(Br)c1)S(C)(=O)=O 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YSWASNLNSWOWAR-HBGVWJBISA-N 1 1 438.573 0.204 20 0 ICADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001618536631 1073419358 /nfs/dbraw/zinc/41/93/58/1073419358.db2.gz YSWASNLNSWOWAR-MAODMQOUSA-N 1 1 438.573 0.204 20 0 ICADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001618536632 1073419320 /nfs/dbraw/zinc/41/93/20/1073419320.db2.gz YSWASNLNSWOWAR-TYCQWZJGSA-N 1 1 438.573 0.204 20 0 ICADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001618540787 1073420101 /nfs/dbraw/zinc/42/01/01/1073420101.db2.gz UNZBBLGJKNTSRF-IVZQSRNASA-N 1 1 446.552 0.847 20 0 ICADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001618540790 1073420082 /nfs/dbraw/zinc/42/00/82/1073420082.db2.gz UNZBBLGJKNTSRF-NYHFZMIOSA-N 1 1 446.552 0.847 20 0 ICADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001618540792 1073420015 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436.310 0.862 20 0 ICADMO CNC(=O)[C@@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCOCC2)C1 ZINC001618562588 1073425285 /nfs/dbraw/zinc/42/52/85/1073425285.db2.gz FCRMQKLSZWWFAN-NRFANRHFSA-N 1 1 433.557 0.199 20 0 ICADMO CNC(=O)[C@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCOCC2)C1 ZINC001618562589 1073425209 /nfs/dbraw/zinc/42/52/09/1073425209.db2.gz FCRMQKLSZWWFAN-OAQYLSRUSA-N 1 1 433.557 0.199 20 0 ICADMO CNC(=O)[C@@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCSCC2)C1 ZINC001618563937 1073425821 /nfs/dbraw/zinc/42/58/21/1073425821.db2.gz MVAKSKVHCATKTN-FQEVSTJZSA-N 1 1 435.598 0.525 20 0 ICADMO CNC(=O)[C@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCSCC2)C1 ZINC001618563940 1073425842 /nfs/dbraw/zinc/42/58/42/1073425842.db2.gz MVAKSKVHCATKTN-HXUWFJFHSA-N 1 1 435.598 0.525 20 0 ICADMO CNC(=O)[C@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001618564347 1073425903 /nfs/dbraw/zinc/42/59/03/1073425903.db2.gz OPXYHMGYJCDMQE-HTAPYJJXSA-N 1 1 447.584 0.445 20 0 ICADMO CNC(=O)[C@@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001618564349 1073425867 /nfs/dbraw/zinc/42/58/67/1073425867.db2.gz OPXYHMGYJCDMQE-JTSKRJEESA-N 1 1 447.584 0.445 20 0 ICADMO CNC(=O)[C@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001618564351 1073425669 /nfs/dbraw/zinc/42/56/69/1073425669.db2.gz OPXYHMGYJCDMQE-VGOFRKELSA-N 1 1 447.584 0.445 20 0 ICADMO CNC(=O)[C@@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001618564353 1073425980 /nfs/dbraw/zinc/42/59/80/1073425980.db2.gz OPXYHMGYJCDMQE-VGSWGCGISA-N 1 1 447.584 0.445 20 0 ICADMO CNC(=O)[C@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001618564357 1073425777 /nfs/dbraw/zinc/42/57/77/1073425777.db2.gz OREGMRLDXGPUNS-JOCHJYFZSA-N 1 1 448.616 0.405 20 0 ICADMO CNC(=O)[C@@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001618564359 1073425947 /nfs/dbraw/zinc/42/59/47/1073425947.db2.gz OREGMRLDXGPUNS-QFIPXVFZSA-N 1 1 448.616 0.405 20 0 ICADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCCO2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001618565943 1073426540 /nfs/dbraw/zinc/42/65/40/1073426540.db2.gz XPGIOBLWBQQYEY-FGTMMUONSA-N 1 1 449.600 0.891 20 0 ICADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCCO2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001618565945 1073427260 /nfs/dbraw/zinc/42/72/60/1073427260.db2.gz XPGIOBLWBQQYEY-KZNAEPCWSA-N 1 1 449.600 0.891 20 0 ICADMO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2CCCO2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001618565946 1073427300 /nfs/dbraw/zinc/42/73/00/1073427300.db2.gz XPGIOBLWBQQYEY-OKZBNKHCSA-N 1 1 449.600 0.891 20 0 ICADMO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2CCCO2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001618565948 1073427229 /nfs/dbraw/zinc/42/72/29/1073427229.db2.gz XPGIOBLWBQQYEY-RCCFBDPRSA-N 1 1 449.600 0.891 20 0 ICADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001618587252 1073432669 /nfs/dbraw/zinc/43/26/69/1073432669.db2.gz OKVSRSJUUYONRH-NRFANRHFSA-N 1 1 430.557 0.752 20 0 ICADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001618587252 1073432660 /nfs/dbraw/zinc/43/26/60/1073432660.db2.gz OKVSRSJUUYONRH-NRFANRHFSA-N 1 1 430.557 0.752 20 0 ICADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001618587257 1073432730 /nfs/dbraw/zinc/43/27/30/1073432730.db2.gz OKVSRSJUUYONRH-OAQYLSRUSA-N 1 1 430.557 0.752 20 0 ICADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001618587257 1073432724 /nfs/dbraw/zinc/43/27/24/1073432724.db2.gz OKVSRSJUUYONRH-OAQYLSRUSA-N 1 1 430.557 0.752 20 0 ICADMO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)C(C)C)C1 ZINC001618587346 1073433278 /nfs/dbraw/zinc/43/32/78/1073433278.db2.gz NTIKLGOIAYZMTJ-BEFAXECRSA-N 1 1 426.587 0.483 20 0 ICADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)C(C)C)C1 ZINC001618587347 1073433508 /nfs/dbraw/zinc/43/35/08/1073433508.db2.gz NTIKLGOIAYZMTJ-DNVCBOLYSA-N 1 1 426.587 0.483 20 0 ICADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)C(C)C)C1 ZINC001618587348 1073433209 /nfs/dbraw/zinc/43/32/09/1073433209.db2.gz NTIKLGOIAYZMTJ-HNAYVOBHSA-N 1 1 426.587 0.483 20 0 ICADMO CNC(=O)[C@@]1(C)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)C(C)C)C1 ZINC001618587350 1073432696 /nfs/dbraw/zinc/43/26/96/1073432696.db2.gz NTIKLGOIAYZMTJ-KXBFYZLASA-N 1 1 426.587 0.483 20 0 ICADMO CNC(=O)[C@@]1(C)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@@H+](C)C(C)C)C1 ZINC001618587389 1073433329 /nfs/dbraw/zinc/43/33/29/1073433329.db2.gz OSRWYYPTJNCSKN-JXFKEZNVSA-N 1 1 440.614 0.873 20 0 ICADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@@H+](C)C(C)C)C1 ZINC001618587391 1073433564 /nfs/dbraw/zinc/43/35/64/1073433564.db2.gz OSRWYYPTJNCSKN-OXJNMPFZSA-N 1 1 440.614 0.873 20 0 ICADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@@H+](C)C(C)C)C1 ZINC001618587392 1073433399 /nfs/dbraw/zinc/43/33/99/1073433399.db2.gz OSRWYYPTJNCSKN-OXQOHEQNSA-N 1 1 440.614 0.873 20 0 ICADMO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@@H+](C)C(C)C)C1 ZINC001618587393 1073433241 /nfs/dbraw/zinc/43/32/41/1073433241.db2.gz OSRWYYPTJNCSKN-UZLBHIALSA-N 1 1 440.614 0.873 20 0 ICADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001618587463 1073433442 /nfs/dbraw/zinc/43/34/42/1073433442.db2.gz PWVLWUIYFLPNBY-DRSNIGMVSA-N 1 1 447.584 0.548 20 0 ICADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001618587468 1073433190 /nfs/dbraw/zinc/43/31/90/1073433190.db2.gz PWVLWUIYFLPNBY-GSHUGGBRSA-N 1 1 447.584 0.548 20 0 ICADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001618587470 1073433418 /nfs/dbraw/zinc/43/34/18/1073433418.db2.gz PWVLWUIYFLPNBY-HYFFOGBASA-N 1 1 447.584 0.548 20 0 ICADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001618587472 1073433259 /nfs/dbraw/zinc/43/32/59/1073433259.db2.gz PWVLWUIYFLPNBY-PNLZDCPESA-N 1 1 447.584 0.548 20 0 ICADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001618588252 1073434373 /nfs/dbraw/zinc/43/43/73/1073434373.db2.gz YUSHGYWUTJNLFN-NRFANRHFSA-N 1 1 428.541 0.808 20 0 ICADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001618588252 1073434367 /nfs/dbraw/zinc/43/43/67/1073434367.db2.gz YUSHGYWUTJNLFN-NRFANRHFSA-N 1 1 428.541 0.808 20 0 ICADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001618588254 1073434504 /nfs/dbraw/zinc/43/45/04/1073434504.db2.gz YUSHGYWUTJNLFN-OAQYLSRUSA-N 1 1 428.541 0.808 20 0 ICADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001618588254 1073434496 /nfs/dbraw/zinc/43/44/96/1073434496.db2.gz YUSHGYWUTJNLFN-OAQYLSRUSA-N 1 1 428.541 0.808 20 0 ICADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001618589080 1073434346 /nfs/dbraw/zinc/43/43/46/1073434346.db2.gz YWWDDMOZALWLMQ-DVSDUFGPSA-N 1 1 447.584 0.691 20 0 ICADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001618589082 1073434953 /nfs/dbraw/zinc/43/49/53/1073434953.db2.gz YWWDDMOZALWLMQ-MPWIWIEXSA-N 1 1 447.584 0.691 20 0 ICADMO CNC(=O)c1ccc(CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001618604175 1073436229 /nfs/dbraw/zinc/43/62/29/1073436229.db2.gz UCYOGINUKZBWOC-JOCHJYFZSA-N 1 1 443.552 0.479 20 0 ICADMO CNC(=O)c1ccc(CN(C)c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001618604182 1073436188 /nfs/dbraw/zinc/43/61/88/1073436188.db2.gz UCYOGINUKZBWOC-QFIPXVFZSA-N 1 1 443.552 0.479 20 0 ICADMO COC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC[N@@H+](C)C1 ZINC001618606203 1073437938 /nfs/dbraw/zinc/43/79/38/1073437938.db2.gz FKYJSWDESVHUJM-CVEARBPZSA-N 1 1 440.566 0.737 20 0 ICADMO COC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC[N@@H+](C)C1 ZINC001618606208 1073438062 /nfs/dbraw/zinc/43/80/62/1073438062.db2.gz FKYJSWDESVHUJM-HOTGVXAUSA-N 1 1 440.566 0.737 20 0 ICADMO COC(=O)[C@H]1CN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC[N@@H+](C)C1 ZINC001618606210 1073437973 /nfs/dbraw/zinc/43/79/73/1073437973.db2.gz FKYJSWDESVHUJM-HZPDHXFCSA-N 1 1 440.566 0.737 20 0 ICADMO COC(=O)[C@H]1CN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC[N@@H+](C)C1 ZINC001618606211 1073438055 /nfs/dbraw/zinc/43/80/55/1073438055.db2.gz FKYJSWDESVHUJM-JKSUJKDBSA-N 1 1 440.566 0.737 20 0 ICADMO COC(=O)[C@@H]1CN(CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC[N@@H+](C)C1 ZINC001618606682 1073437884 /nfs/dbraw/zinc/43/78/84/1073437884.db2.gz KZFRCPUZRRZOJQ-FQEVSTJZSA-N 1 1 430.549 0.302 20 0 ICADMO COC(=O)[C@H]1CN(CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC[N@@H+](C)C1 ZINC001618606684 1073438024 /nfs/dbraw/zinc/43/80/24/1073438024.db2.gz KZFRCPUZRRZOJQ-HXUWFJFHSA-N 1 1 430.549 0.302 20 0 ICADMO CC(C)[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C[C@@H]1CCC(=O)N1 ZINC001618614076 1073439196 /nfs/dbraw/zinc/43/91/96/1073439196.db2.gz MSUVJDOPBHLGGA-KRWDZBQOSA-N 1 1 438.550 0.635 20 0 ICADMO CC(C)[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C[C@@H]1CCC(=O)N1 ZINC001618614076 1073439190 /nfs/dbraw/zinc/43/91/90/1073439190.db2.gz MSUVJDOPBHLGGA-KRWDZBQOSA-N 1 1 438.550 0.635 20 0 ICADMO CC(C)[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C[C@H]1CCC(=O)N1 ZINC001618614077 1073439356 /nfs/dbraw/zinc/43/93/56/1073439356.db2.gz MSUVJDOPBHLGGA-QGZVFWFLSA-N 1 1 438.550 0.635 20 0 ICADMO CC(C)[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C[C@H]1CCC(=O)N1 ZINC001618614077 1073439350 /nfs/dbraw/zinc/43/93/50/1073439350.db2.gz MSUVJDOPBHLGGA-QGZVFWFLSA-N 1 1 438.550 0.635 20 0 ICADMO CNC(=O)c1ccn([C@H]2CCCN(c3nnc(C(C)C)n3C[C@@]3(O)CC[N@@H+](C)C3)C2)n1 ZINC001618616585 1073440099 /nfs/dbraw/zinc/44/00/99/1073440099.db2.gz OKYLCWZLPRXUEI-HRAATJIYSA-N 1 1 430.557 0.866 20 0 ICADMO CNC(=O)c1ccn([C@@H]2CCCN(c3nnc(C(C)C)n3C[C@]3(O)CC[N@@H+](C)C3)C2)n1 ZINC001618616586 1073440702 /nfs/dbraw/zinc/44/07/02/1073440702.db2.gz OKYLCWZLPRXUEI-IERDGZPVSA-N 1 1 430.557 0.866 20 0 ICADMO 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CNC(=O)[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H]2CCC[N@H+]2CCCO)CCO1 ZINC001618704264 1073474738 /nfs/dbraw/zinc/47/47/38/1073474738.db2.gz SNKMHKJKYIGKJW-MOPGFXCFSA-N 1 1 443.552 0.062 20 0 ICADMO CNC(=O)[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCC[N@H+]2CCCO)CCO1 ZINC001618704267 1073474843 /nfs/dbraw/zinc/47/48/43/1073474843.db2.gz SNKMHKJKYIGKJW-OALUTQOASA-N 1 1 443.552 0.062 20 0 ICADMO CNC(=O)[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCC[N@H+]2CCCO)CCO1 ZINC001618704268 1073474940 /nfs/dbraw/zinc/47/49/40/1073474940.db2.gz SNKMHKJKYIGKJW-RBUKOAKNSA-N 1 1 443.552 0.062 20 0 ICADMO CNC(=O)[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H]2CCC[N@H+]2CCCO)CCO1 ZINC001618704270 1073474673 /nfs/dbraw/zinc/47/46/73/1073474673.db2.gz SNKMHKJKYIGKJW-RTBURBONSA-N 1 1 443.552 0.062 20 0 ICADMO CNC(=O)[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CC=CCC2)CCO1 ZINC001618709120 1073477626 /nfs/dbraw/zinc/47/76/26/1073477626.db2.gz IOISIJTXPNCDNV-GOSISDBHSA-N 1 1 428.541 0.353 20 0 ICADMO CNC(=O)[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CC=CCC2)CCO1 ZINC001618709121 1073477541 /nfs/dbraw/zinc/47/75/41/1073477541.db2.gz IOISIJTXPNCDNV-SFHVURJKSA-N 1 1 428.541 0.353 20 0 ICADMO CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001618711050 1073480240 /nfs/dbraw/zinc/48/02/40/1073480240.db2.gz VSQAAJIBAALNCE-AVRDEDQJSA-N 1 1 444.536 0.183 20 0 ICADMO CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001618711055 1073480878 /nfs/dbraw/zinc/48/08/78/1073480878.db2.gz VSQAAJIBAALNCE-GCJKJVERSA-N 1 1 444.536 0.183 20 0 ICADMO CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001618711057 1073480926 /nfs/dbraw/zinc/48/09/26/1073480926.db2.gz VSQAAJIBAALNCE-PGRDOPGGSA-N 1 1 444.536 0.183 20 0 ICADMO CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001618711059 1073480917 /nfs/dbraw/zinc/48/09/17/1073480917.db2.gz VSQAAJIBAALNCE-XMSQKQJNSA-N 1 1 444.536 0.183 20 0 ICADMO CNC(=O)[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+](C)C(C)C)CCO1 ZINC001618711644 1073481559 /nfs/dbraw/zinc/48/15/59/1073481559.db2.gz ZHVZWACXFNVCIR-HNNXBMFYSA-N 1 1 449.581 0.561 20 0 ICADMO CNC(=O)[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+](C)C(C)C)CCO1 ZINC001618711646 1073481588 /nfs/dbraw/zinc/48/15/88/1073481588.db2.gz ZHVZWACXFNVCIR-OAHLLOKOSA-N 1 1 449.581 0.561 20 0 ICADMO CNC(=O)CC1CCN(c2nnc(-c3ccc[nH]3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001618717324 1073482172 /nfs/dbraw/zinc/48/21/72/1073482172.db2.gz HCJXFICSGXWYII-UHFFFAOYSA-N 1 1 442.568 0.790 20 0 ICADMO CNC(=O)CC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001618718292 1073482146 /nfs/dbraw/zinc/48/21/46/1073482146.db2.gz OUJBKEIKBTXIPP-INIZCTEOSA-N 1 1 430.557 0.752 20 0 ICADMO CNC(=O)CC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001618718295 1073482135 /nfs/dbraw/zinc/48/21/35/1073482135.db2.gz OUJBKEIKBTXIPP-MRXNPFEDSA-N 1 1 430.557 0.752 20 0 ICADMO CNC(=O)CC1CCN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001618723038 1073482944 /nfs/dbraw/zinc/48/29/44/1073482944.db2.gz QTJQQTNLQBEGBQ-INIZCTEOSA-N 1 1 428.541 0.808 20 0 ICADMO CNC(=O)CC1CCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001618723038 1073482937 /nfs/dbraw/zinc/48/29/37/1073482937.db2.gz QTJQQTNLQBEGBQ-INIZCTEOSA-N 1 1 428.541 0.808 20 0 ICADMO CNC(=O)CC1CCN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001618723041 1073482889 /nfs/dbraw/zinc/48/28/89/1073482889.db2.gz QTJQQTNLQBEGBQ-MRXNPFEDSA-N 1 1 428.541 0.808 20 0 ICADMO CNC(=O)CC1CCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001618723041 1073482883 /nfs/dbraw/zinc/48/28/83/1073482883.db2.gz QTJQQTNLQBEGBQ-MRXNPFEDSA-N 1 1 428.541 0.808 20 0 ICADMO CC(C)N(C)C(=O)C1CCN(C(=O)C[NH+]2CCC(NC(=O)N3CCOCC3)CC2)CC1 ZINC001618741625 1073486229 /nfs/dbraw/zinc/48/62/29/1073486229.db2.gz VWWVRGUPYUQXFJ-UHFFFAOYSA-N 1 1 437.585 0.598 20 0 ICADMO CNC(=O)CCCN(C)c1nnc(-c2cnccn2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001618743162 1073487031 /nfs/dbraw/zinc/48/70/31/1073487031.db2.gz VBXIQXTWKIZHBR-UHFFFAOYSA-N 1 1 429.573 0.724 20 0 ICADMO CNC(=O)CCCN(C)c1nnc(-c2cnccn2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001618743162 1073487023 /nfs/dbraw/zinc/48/70/23/1073487023.db2.gz VBXIQXTWKIZHBR-UHFFFAOYSA-N 1 1 429.573 0.724 20 0 ICADMO CNC(=O)CCCN(C)c1nnc(-c2cnccn2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001618743162 1073487018 /nfs/dbraw/zinc/48/70/18/1073487018.db2.gz VBXIQXTWKIZHBR-UHFFFAOYSA-N 1 1 429.573 0.724 20 0 ICADMO CNC(=O)CCN(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001618750723 1073488313 /nfs/dbraw/zinc/48/83/13/1073488313.db2.gz HGFPUIBFJNJLKE-KRWDZBQOSA-N 1 1 435.573 0.587 20 0 ICADMO CNC(=O)CCN(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001618750733 1073489012 /nfs/dbraw/zinc/48/90/12/1073489012.db2.gz HGFPUIBFJNJLKE-QGZVFWFLSA-N 1 1 435.573 0.587 20 0 ICADMO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001618754225 1073490374 /nfs/dbraw/zinc/49/03/74/1073490374.db2.gz CHPDOTVONIFHCX-FQEVSTJZSA-N 1 1 444.557 0.556 20 0 ICADMO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001618754225 1073490367 /nfs/dbraw/zinc/49/03/67/1073490367.db2.gz CHPDOTVONIFHCX-FQEVSTJZSA-N 1 1 444.557 0.556 20 0 ICADMO CNC(=O)CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001618755870 1073490338 /nfs/dbraw/zinc/49/03/38/1073490338.db2.gz NFWKGSZVNDKLJY-CABCVRRESA-N 1 1 443.618 0.581 20 0 ICADMO CNC(=O)CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001618755872 1073491086 /nfs/dbraw/zinc/49/10/86/1073491086.db2.gz NFWKGSZVNDKLJY-GJZGRUSLSA-N 1 1 443.618 0.581 20 0 ICADMO CNC(=O)CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001618755874 1073491049 /nfs/dbraw/zinc/49/10/49/1073491049.db2.gz NFWKGSZVNDKLJY-HUUCEWRRSA-N 1 1 443.618 0.581 20 0 ICADMO CNC(=O)CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001618755876 1073491106 /nfs/dbraw/zinc/49/11/06/1073491106.db2.gz NFWKGSZVNDKLJY-LSDHHAIUSA-N 1 1 443.618 0.581 20 0 ICADMO CC(C)Cn1c(N)c(C(=O)C[NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)c(=O)n(C)c1=O ZINC001618760791 1073491514 /nfs/dbraw/zinc/49/15/14/1073491514.db2.gz OEGICLJAORNVNS-AWEZNQCLSA-N 1 1 442.520 0.848 20 0 ICADMO CC(C)Cn1c(N)c(C(=O)C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)c(=O)n(C)c1=O ZINC001618760792 1073491580 /nfs/dbraw/zinc/49/15/80/1073491580.db2.gz OEGICLJAORNVNS-CQSZACIVSA-N 1 1 442.520 0.848 20 0 ICADMO CNC(=O)CCN(C)c1nnc(-c2cnn(C)c2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001618764028 1073492349 /nfs/dbraw/zinc/49/23/49/1073492349.db2.gz SVUDPQAZMNHSCS-KRWDZBQOSA-N 1 1 445.572 0.194 20 0 ICADMO CNC(=O)CCN(C)c1nnc(-c2cnn(C)c2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001618764030 1073492254 /nfs/dbraw/zinc/49/22/54/1073492254.db2.gz SVUDPQAZMNHSCS-QGZVFWFLSA-N 1 1 445.572 0.194 20 0 ICADMO CNC(=O)CCN(C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001618771574 1073494330 /nfs/dbraw/zinc/49/43/30/1073494330.db2.gz PEFOACBUPFXBSF-PMACEKPBSA-N 1 1 442.564 0.969 20 0 ICADMO CNC(=O)CCN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001618771586 1073494197 /nfs/dbraw/zinc/49/41/97/1073494197.db2.gz PEFOACBUPFXBSF-UXHICEINSA-N 1 1 442.564 0.969 20 0 ICADMO CNC(=O)CCN(C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001618771588 1073494217 /nfs/dbraw/zinc/49/42/17/1073494217.db2.gz PEFOACBUPFXBSF-VQTJNVASSA-N 1 1 442.564 0.969 20 0 ICADMO CNC(=O)CCN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001618771590 1073494342 /nfs/dbraw/zinc/49/43/42/1073494342.db2.gz PEFOACBUPFXBSF-WOJBJXKFSA-N 1 1 442.564 0.969 20 0 ICADMO CNC(=O)CCN(C)c1nnc(CN2CCCC2=O)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001618775773 1073496233 /nfs/dbraw/zinc/49/62/33/1073496233.db2.gz SBDCRGFWXRGCRQ-CALCHBBNSA-N 1 1 435.573 0.472 20 0 ICADMO CNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001618780850 1073496976 /nfs/dbraw/zinc/49/69/76/1073496976.db2.gz QKHGSDIPRPYUEW-UHFFFAOYSA-N 1 1 443.556 0.096 20 0 ICADMO CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001618781146 1073496851 /nfs/dbraw/zinc/49/68/51/1073496851.db2.gz BKVLVQYXSCHLQW-CABCVRRESA-N 1 1 441.602 0.335 20 0 ICADMO CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001618781147 1073496999 /nfs/dbraw/zinc/49/69/99/1073496999.db2.gz BKVLVQYXSCHLQW-GJZGRUSLSA-N 1 1 441.602 0.335 20 0 ICADMO CNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001618781148 1073497596 /nfs/dbraw/zinc/49/75/96/1073497596.db2.gz BKVLVQYXSCHLQW-HUUCEWRRSA-N 1 1 441.602 0.335 20 0 ICADMO CNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001618781149 1073497482 /nfs/dbraw/zinc/49/74/82/1073497482.db2.gz BKVLVQYXSCHLQW-LSDHHAIUSA-N 1 1 441.602 0.335 20 0 ICADMO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC001618793941 1073499431 /nfs/dbraw/zinc/49/94/31/1073499431.db2.gz USYYWQWYEVKUNR-DFBDCSAJSA-N 1 1 429.558 0.741 20 0 ICADMO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC001618793942 1073499385 /nfs/dbraw/zinc/49/93/85/1073499385.db2.gz USYYWQWYEVKUNR-SFFUCWETSA-N 1 1 429.558 0.741 20 0 ICADMO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC001618793943 1073499507 /nfs/dbraw/zinc/49/95/07/1073499507.db2.gz USYYWQWYEVKUNR-UYTYNIKBSA-N 1 1 429.558 0.741 20 0 ICADMO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC001618793944 1073499468 /nfs/dbraw/zinc/49/94/68/1073499468.db2.gz USYYWQWYEVKUNR-ZBRFXRBCSA-N 1 1 429.558 0.741 20 0 ICADMO CNC(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[NH+](CCOC)CC1 ZINC001618794449 1073500044 /nfs/dbraw/zinc/50/00/44/1073500044.db2.gz KGGSKMMXAIUBHZ-UHFFFAOYSA-N 1 1 430.509 0.621 20 0 ICADMO CNC(=O)CCn1c(-c2cccn2C)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001618795677 1073500748 /nfs/dbraw/zinc/50/07/48/1073500748.db2.gz MXDPVEQMNVVGPF-UHFFFAOYSA-N 1 1 442.568 0.554 20 0 ICADMO CNC(=O)CCn1c(-c2cccn2C)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001618795677 1073500741 /nfs/dbraw/zinc/50/07/41/1073500741.db2.gz MXDPVEQMNVVGPF-UHFFFAOYSA-N 1 1 442.568 0.554 20 0 ICADMO CNC(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001618796440 1073500631 /nfs/dbraw/zinc/50/06/31/1073500631.db2.gz VHYZDCOHDZMPPT-KRWDZBQOSA-N 1 1 426.525 0.219 20 0 ICADMO CNC(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001618796442 1073500677 /nfs/dbraw/zinc/50/06/77/1073500677.db2.gz VHYZDCOHDZMPPT-QGZVFWFLSA-N 1 1 426.525 0.219 20 0 ICADMO COC(=O)[C@@H](NCC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)c1ccnn1C ZINC001618799489 1073501229 /nfs/dbraw/zinc/50/12/29/1073501229.db2.gz YAFCSIZGARKCSV-NRFANRHFSA-N 1 1 429.521 0.967 20 0 ICADMO COC(=O)[C@H](NCC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)c1ccnn1C ZINC001618799491 1073501303 /nfs/dbraw/zinc/50/13/03/1073501303.db2.gz 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AXRXVTPTLLYNHE-UHFFFAOYSA-N 1 1 444.588 0.166 20 0 ICADMO CNC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001618831878 1073513233 /nfs/dbraw/zinc/51/32/33/1073513233.db2.gz AXRXVTPTLLYNHE-UHFFFAOYSA-N 1 1 444.588 0.166 20 0 ICADMO CNC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001618832166 1073513290 /nfs/dbraw/zinc/51/32/90/1073513290.db2.gz MMUVEYMNMAKQET-KRWDZBQOSA-N 1 1 445.572 0.641 20 0 ICADMO CNC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001618832167 1073513575 /nfs/dbraw/zinc/51/35/75/1073513575.db2.gz MMUVEYMNMAKQET-QGZVFWFLSA-N 1 1 445.572 0.641 20 0 ICADMO CNC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001618833080 1073514107 /nfs/dbraw/zinc/51/41/07/1073514107.db2.gz CCNQFELBFFMBRT-MSOLQXFVSA-N 1 1 435.573 0.600 20 0 ICADMO CNC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001618833081 1073513935 /nfs/dbraw/zinc/51/39/35/1073513935.db2.gz CCNQFELBFFMBRT-QZTJIDSGSA-N 1 1 435.573 0.600 20 0 ICADMO CNC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001618833082 1073513870 /nfs/dbraw/zinc/51/38/70/1073513870.db2.gz CCNQFELBFFMBRT-ROUUACIJSA-N 1 1 435.573 0.600 20 0 ICADMO CNC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001618833083 1073514038 /nfs/dbraw/zinc/51/40/38/1073514038.db2.gz CCNQFELBFFMBRT-ZWKOTPCHSA-N 1 1 435.573 0.600 20 0 ICADMO CNC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001618833309 1073514572 /nfs/dbraw/zinc/51/45/72/1073514572.db2.gz JJWPCRTYUZRTMR-CVEARBPZSA-N 1 1 432.573 0.811 20 0 ICADMO CNC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001618833310 1073514594 /nfs/dbraw/zinc/51/45/94/1073514594.db2.gz JJWPCRTYUZRTMR-HOTGVXAUSA-N 1 1 432.573 0.811 20 0 ICADMO CNC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001618833311 1073514705 /nfs/dbraw/zinc/51/47/05/1073514705.db2.gz JJWPCRTYUZRTMR-HZPDHXFCSA-N 1 1 432.573 0.811 20 0 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CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001618845282 1073529226 /nfs/dbraw/zinc/52/92/26/1073529226.db2.gz YAWLZBFAXWDAQG-JKSUJKDBSA-N 1 1 442.586 0.021 20 0 ICADMO CNS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001618846033 1073530849 /nfs/dbraw/zinc/53/08/49/1073530849.db2.gz XWVDTQUFQKYRRG-FQEVSTJZSA-N 1 1 449.581 0.114 20 0 ICADMO CNS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001618846034 1073530973 /nfs/dbraw/zinc/53/09/73/1073530973.db2.gz XWVDTQUFQKYRRG-HXUWFJFHSA-N 1 1 449.581 0.114 20 0 ICADMO CNS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001618846491 1073531569 /nfs/dbraw/zinc/53/15/69/1073531569.db2.gz NOHWRKBLBRFUTA-GOSISDBHSA-N 1 1 440.614 0.719 20 0 ICADMO CNS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001618846492 1073531596 /nfs/dbraw/zinc/53/15/96/1073531596.db2.gz NOHWRKBLBRFUTA-SFHVURJKSA-N 1 1 440.614 0.719 20 0 ICADMO CNS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001618846845 1073531902 /nfs/dbraw/zinc/53/19/02/1073531902.db2.gz ZWZAYNLGSZULRZ-INIZCTEOSA-N 1 1 428.603 0.717 20 0 ICADMO CNS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001618846846 1073532502 /nfs/dbraw/zinc/53/25/02/1073532502.db2.gz ZWZAYNLGSZULRZ-MRXNPFEDSA-N 1 1 428.603 0.717 20 0 ICADMO CNS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001618847478 1073533039 /nfs/dbraw/zinc/53/30/39/1073533039.db2.gz VPHHLDMDEHQPNF-KRWDZBQOSA-N 1 1 436.586 0.363 20 0 ICADMO CNS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001618847479 1073533185 /nfs/dbraw/zinc/53/31/85/1073533185.db2.gz VPHHLDMDEHQPNF-QGZVFWFLSA-N 1 1 436.586 0.363 20 0 ICADMO COC(=O)[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001618849379 1073535303 /nfs/dbraw/zinc/53/53/03/1073535303.db2.gz OEQJGIAQGGFCHB-QLFBSQMISA-N 1 1 442.586 0.760 20 0 ICADMO 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COC(=O)[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2cc[nH+]c2C)C1 ZINC001618863717 1073538604 /nfs/dbraw/zinc/53/86/04/1073538604.db2.gz YAMKPGFKWNNYSO-JSGCOSHPSA-N 1 1 425.515 0.093 20 0 ICADMO COC(=O)[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2cc[nH+]c2C)C1 ZINC001618863718 1073538707 /nfs/dbraw/zinc/53/87/07/1073538707.db2.gz YAMKPGFKWNNYSO-OCCSQVGLSA-N 1 1 425.515 0.093 20 0 ICADMO COC(=O)[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2cc[nH+]c2C)C1 ZINC001618863719 1073538535 /nfs/dbraw/zinc/53/85/35/1073538535.db2.gz YAMKPGFKWNNYSO-TZMCWYRMSA-N 1 1 425.515 0.093 20 0 ICADMO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CC[C@@H]4OCC[C@@H]4C3)CC2)cc1 ZINC001618869879 1073539212 /nfs/dbraw/zinc/53/92/12/1073539212.db2.gz JUWZHMZRANRDIE-QUCCMNQESA-N 1 1 435.546 0.833 20 0 ICADMO COC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001618871893 1073539154 /nfs/dbraw/zinc/53/91/54/1073539154.db2.gz OGAJAZPHRBXDKI-INIZCTEOSA-N 1 1 434.541 0.729 20 0 ICADMO COC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001618871893 1073539145 /nfs/dbraw/zinc/53/91/45/1073539145.db2.gz OGAJAZPHRBXDKI-INIZCTEOSA-N 1 1 434.541 0.729 20 0 ICADMO COC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001618871895 1073539700 /nfs/dbraw/zinc/53/97/00/1073539700.db2.gz OGAJAZPHRBXDKI-MRXNPFEDSA-N 1 1 434.541 0.729 20 0 ICADMO COC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001618871895 1073539693 /nfs/dbraw/zinc/53/96/93/1073539693.db2.gz OGAJAZPHRBXDKI-MRXNPFEDSA-N 1 1 434.541 0.729 20 0 ICADMO COC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001618871909 1073539870 /nfs/dbraw/zinc/53/98/70/1073539870.db2.gz ORKMZEVPEAOKBR-DOTOQJQBSA-N 1 1 434.541 0.587 20 0 ICADMO COC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001618871911 1073539782 /nfs/dbraw/zinc/53/97/82/1073539782.db2.gz ORKMZEVPEAOKBR-NVXWUHKLSA-N 1 1 434.541 0.587 20 0 ICADMO COC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001618871913 1073539829 /nfs/dbraw/zinc/53/98/29/1073539829.db2.gz ORKMZEVPEAOKBR-RDJZCZTQSA-N 1 1 434.541 0.587 20 0 ICADMO COC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001618871915 1073539646 /nfs/dbraw/zinc/53/96/46/1073539646.db2.gz ORKMZEVPEAOKBR-WBVHZDCISA-N 1 1 434.541 0.587 20 0 ICADMO COC(=O)[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001618875120 1073540375 /nfs/dbraw/zinc/54/03/75/1073540375.db2.gz CTDDQXNIJDVSME-ARFHVFGLSA-N 1 1 425.555 0.664 20 0 ICADMO COC(=O)[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001618875121 1073540179 /nfs/dbraw/zinc/54/01/79/1073540179.db2.gz CTDDQXNIJDVSME-BZUAXINKSA-N 1 1 425.555 0.664 20 0 ICADMO COC(=O)[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001618875122 1073540302 /nfs/dbraw/zinc/54/03/02/1073540302.db2.gz CTDDQXNIJDVSME-OAGGEKHMSA-N 1 1 425.555 0.664 20 0 ICADMO 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COC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCSCC2)CC1 ZINC001618892226 1073547945 /nfs/dbraw/zinc/54/79/45/1073547945.db2.gz OVXFWNGEMWSUCU-UHFFFAOYSA-N 1 1 437.570 0.451 20 0 ICADMO COC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+](C)C(C)C)C[C@@H]1C ZINC001618893301 1073548799 /nfs/dbraw/zinc/54/87/99/1073548799.db2.gz VXNBQYKVQSQNSD-GJZGRUSLSA-N 1 1 445.590 0.505 20 0 ICADMO COC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+](C)C(C)C)C[C@@H]1C ZINC001618893302 1073548696 /nfs/dbraw/zinc/54/86/96/1073548696.db2.gz VXNBQYKVQSQNSD-LSDHHAIUSA-N 1 1 445.590 0.505 20 0 ICADMO COC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001618898400 1073549698 /nfs/dbraw/zinc/54/96/98/1073549698.db2.gz BVIXMBQSVZOKFI-UHFFFAOYSA-N 1 1 430.513 0.734 20 0 ICADMO COC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001618898494 1073549748 /nfs/dbraw/zinc/54/97/48/1073549748.db2.gz GLMNMLFYAOUCGY-UHFFFAOYSA-N 1 1 443.556 0.650 20 0 ICADMO COC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001618898494 1073549738 /nfs/dbraw/zinc/54/97/38/1073549738.db2.gz GLMNMLFYAOUCGY-UHFFFAOYSA-N 1 1 443.556 0.650 20 0 ICADMO COC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001618898494 1073549726 /nfs/dbraw/zinc/54/97/26/1073549726.db2.gz GLMNMLFYAOUCGY-UHFFFAOYSA-N 1 1 443.556 0.650 20 0 ICADMO COC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001618899704 1073550372 /nfs/dbraw/zinc/55/03/72/1073550372.db2.gz VPNSPOCQQKDSSI-DLBZAZTESA-N 1 1 449.556 0.474 20 0 ICADMO COC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001618899705 1073550213 /nfs/dbraw/zinc/55/02/13/1073550213.db2.gz VPNSPOCQQKDSSI-IAGOWNOFSA-N 1 1 449.556 0.474 20 0 ICADMO COC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001618899706 1073550307 /nfs/dbraw/zinc/55/03/07/1073550307.db2.gz VPNSPOCQQKDSSI-IRXDYDNUSA-N 1 1 449.556 0.474 20 0 ICADMO 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COc1ccc(-c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCOCCCO)cc1OC ZINC001619210161 1073574768 /nfs/dbraw/zinc/57/47/68/1073574768.db2.gz QENKHGFPAPXDSX-GOSISDBHSA-N 1 1 447.536 0.882 20 0 ICADMO COc1ccc(-c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCOCCCO)cc1OC ZINC001619210161 1073574754 /nfs/dbraw/zinc/57/47/54/1073574754.db2.gz QENKHGFPAPXDSX-GOSISDBHSA-N 1 1 447.536 0.882 20 0 ICADMO COc1ccc(-c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CCOCCCO)cc1OC ZINC001619210162 1073574843 /nfs/dbraw/zinc/57/48/43/1073574843.db2.gz QENKHGFPAPXDSX-SFHVURJKSA-N 1 1 447.536 0.882 20 0 ICADMO COc1ccc(-c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CCOCCCO)cc1OC ZINC001619210162 1073574835 /nfs/dbraw/zinc/57/48/35/1073574835.db2.gz QENKHGFPAPXDSX-SFHVURJKSA-N 1 1 447.536 0.882 20 0 ICADMO COc1ccc(-c2nnc(N3CCNC(=O)C3)n2C[C@@H]2CCC[N@H+]2CCCO)c(OC)c1 ZINC001619210558 1073574872 /nfs/dbraw/zinc/57/48/72/1073574872.db2.gz FBHWELDPFOHZKE-INIZCTEOSA-N 1 1 444.536 0.745 20 0 ICADMO COc1ccc(-c2nnc(N3CCNC(=O)C3)n2C[C@H]2CCC[N@H+]2CCCO)c(OC)c1 ZINC001619210559 1073574663 /nfs/dbraw/zinc/57/46/63/1073574663.db2.gz FBHWELDPFOHZKE-MRXNPFEDSA-N 1 1 444.536 0.745 20 0 ICADMO COc1ccc(-c2nnc(N3CCNC(=O)C3)n2CCC[NH+]2CCOCC2)cc1OC ZINC001619211028 1073575288 /nfs/dbraw/zinc/57/52/88/1073575288.db2.gz QBCQDKHLIUNEMA-UHFFFAOYSA-N 1 1 430.509 0.621 20 0 ICADMO COc1ccc(CCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001619231370 1073576128 /nfs/dbraw/zinc/57/61/28/1073576128.db2.gz UVDSPNJGGMOFIR-GAJHUEQPSA-N 1 1 442.564 0.805 20 0 ICADMO COc1ccc(CCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001619231371 1073576278 /nfs/dbraw/zinc/57/62/78/1073576278.db2.gz UVDSPNJGGMOFIR-HXOBKFHXSA-N 1 1 442.564 0.805 20 0 ICADMO COc1ccc(CCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001619231372 1073576179 /nfs/dbraw/zinc/57/61/79/1073576179.db2.gz UVDSPNJGGMOFIR-SBUREZEXSA-N 1 1 442.564 0.805 20 0 ICADMO COc1ccc(CCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001619231373 1073576072 /nfs/dbraw/zinc/57/60/72/1073576072.db2.gz UVDSPNJGGMOFIR-UZUQRXQVSA-N 1 1 442.564 0.805 20 0 ICADMO COc1ccc(CCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001619233084 1073576108 /nfs/dbraw/zinc/57/61/08/1073576108.db2.gz FZHFKUBODOEQIC-DHIUTWEWSA-N 1 1 442.564 0.840 20 0 ICADMO COc1ccc(CCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001619233085 1073576321 /nfs/dbraw/zinc/57/63/21/1073576321.db2.gz FZHFKUBODOEQIC-GOTSBHOMSA-N 1 1 442.564 0.840 20 0 ICADMO COc1ccc(CCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001619233086 1073576216 /nfs/dbraw/zinc/57/62/16/1073576216.db2.gz FZHFKUBODOEQIC-PKTZIBPZSA-N 1 1 442.564 0.840 20 0 ICADMO COc1ccc(CCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001619233087 1073576042 /nfs/dbraw/zinc/57/60/42/1073576042.db2.gz FZHFKUBODOEQIC-XZOQPEGZSA-N 1 1 442.564 0.840 20 0 ICADMO COc1ccc(CCc2nnc(N3CCS(=O)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001619240869 1073576634 /nfs/dbraw/zinc/57/66/34/1073576634.db2.gz PDIZBYMBXCJUFR-NRFANRHFSA-N 1 1 433.578 0.707 20 0 ICADMO COc1ccc(CCc2nnc(N3CCS(=O)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001619240870 1073576583 /nfs/dbraw/zinc/57/65/83/1073576583.db2.gz PDIZBYMBXCJUFR-OAQYLSRUSA-N 1 1 433.578 0.707 20 0 ICADMO COc1ccc(CN(C)c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1O ZINC001619266268 1073577313 /nfs/dbraw/zinc/57/73/13/1073577313.db2.gz TWXKEVKKUMDYQK-JOCHJYFZSA-N 1 1 444.536 0.818 20 0 ICADMO COc1ccc(CN(C)c2nnc(CN3CCCC3=O)n2C[C@]2(O)CC[N@@H+](C)C2)cc1O ZINC001619266269 1073577190 /nfs/dbraw/zinc/57/71/90/1073577190.db2.gz TWXKEVKKUMDYQK-QFIPXVFZSA-N 1 1 444.536 0.818 20 0 ICADMO O=C(CC[NH+]1CCN(c2nc[nH]n2)CC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001619269920 1073577838 /nfs/dbraw/zinc/57/78/38/1073577838.db2.gz GIUXYXDALCGVQS-UHFFFAOYSA-N 1 1 433.538 0.740 20 0 ICADMO COc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCC[NH+]2CCOCC2)cc1 ZINC001619314555 1073580806 /nfs/dbraw/zinc/58/08/06/1073580806.db2.gz PXGNMLXCIKHLKY-KRWDZBQOSA-N 1 1 444.536 0.900 20 0 ICADMO COc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCC[NH+]2CCOCC2)cc1 ZINC001619314556 1073580703 /nfs/dbraw/zinc/58/07/03/1073580703.db2.gz PXGNMLXCIKHLKY-QGZVFWFLSA-N 1 1 444.536 0.900 20 0 ICADMO COc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001619315562 1073580587 /nfs/dbraw/zinc/58/05/87/1073580587.db2.gz MYLUHTQXVHRXFR-AOMKIAJQSA-N 1 1 444.536 0.599 20 0 ICADMO COc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001619315563 1073580760 /nfs/dbraw/zinc/58/07/60/1073580760.db2.gz MYLUHTQXVHRXFR-KSFYIVLOSA-N 1 1 444.536 0.599 20 0 ICADMO COc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001619315564 1073580730 /nfs/dbraw/zinc/58/07/30/1073580730.db2.gz MYLUHTQXVHRXFR-OPAMFIHVSA-N 1 1 444.536 0.599 20 0 ICADMO COc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001619315565 1073581320 /nfs/dbraw/zinc/58/13/20/1073581320.db2.gz MYLUHTQXVHRXFR-ZHRRBRCNSA-N 1 1 444.536 0.599 20 0 ICADMO COc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001619321736 1073581337 /nfs/dbraw/zinc/58/13/37/1073581337.db2.gz ZETXCCAPXFSDLZ-NRFANRHFSA-N 1 1 430.509 0.211 20 0 ICADMO COc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001619321737 1073581196 /nfs/dbraw/zinc/58/11/96/1073581196.db2.gz ZETXCCAPXFSDLZ-OAQYLSRUSA-N 1 1 430.509 0.211 20 0 ICADMO COc1cccc(CC(=O)N2CCN(c3nnc(C)n3C[C@@]3(O)CC[N@@H+](C)C3)CC2)c1 ZINC001619360923 1073583575 /nfs/dbraw/zinc/58/35/75/1073583575.db2.gz PYCCALHPWVRBNS-JOCHJYFZSA-N 1 1 428.537 0.553 20 0 ICADMO COc1cccc(CC(=O)N2CCN(c3nnc(C)n3C[C@]3(O)CC[N@@H+](C)C3)CC2)c1 ZINC001619360924 1073583549 /nfs/dbraw/zinc/58/35/49/1073583549.db2.gz PYCCALHPWVRBNS-QFIPXVFZSA-N 1 1 428.537 0.553 20 0 ICADMO COc1ccccc1-c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001619391612 1073585015 /nfs/dbraw/zinc/58/50/15/1073585015.db2.gz IOVOXRUXBWGPJP-JOCHJYFZSA-N 1 1 444.536 0.491 20 0 ICADMO COc1ccccc1-c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001619391613 1073585123 /nfs/dbraw/zinc/58/51/23/1073585123.db2.gz IOVOXRUXBWGPJP-QFIPXVFZSA-N 1 1 444.536 0.491 20 0 ICADMO O=C(C[N@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC001619396311 1073585437 /nfs/dbraw/zinc/58/54/37/1073585437.db2.gz DZDGUQGBQZFSKB-KRWDZBQOSA-N 1 1 441.488 0.466 20 0 ICADMO O=C(C[N@@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC001619396311 1073585426 /nfs/dbraw/zinc/58/54/26/1073585426.db2.gz DZDGUQGBQZFSKB-KRWDZBQOSA-N 1 1 441.488 0.466 20 0 ICADMO O=C(C[N@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC001619396312 1073585567 /nfs/dbraw/zinc/58/55/67/1073585567.db2.gz DZDGUQGBQZFSKB-QGZVFWFLSA-N 1 1 441.488 0.466 20 0 ICADMO O=C(C[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC001619396312 1073585558 /nfs/dbraw/zinc/58/55/58/1073585558.db2.gz DZDGUQGBQZFSKB-QGZVFWFLSA-N 1 1 441.488 0.466 20 0 ICADMO COc1ccccc1Cc1nnc(N2CCNC(=O)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001619423045 1073587190 /nfs/dbraw/zinc/58/71/90/1073587190.db2.gz MDIFSIZZLQSDMQ-GOSISDBHSA-N 1 1 428.537 0.661 20 0 ICADMO COc1ccccc1Cc1nnc(N2CCNC(=O)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001619423046 1073587244 /nfs/dbraw/zinc/58/72/44/1073587244.db2.gz MDIFSIZZLQSDMQ-SFHVURJKSA-N 1 1 428.537 0.661 20 0 ICADMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC001619462906 1073588982 /nfs/dbraw/zinc/58/89/82/1073588982.db2.gz NNEMZTSLNYCALW-DOMZBBRYSA-N 1 1 429.505 0.988 20 0 ICADMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC001619462907 1073588821 /nfs/dbraw/zinc/58/88/21/1073588821.db2.gz NNEMZTSLNYCALW-IUODEOHRSA-N 1 1 429.505 0.988 20 0 ICADMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC001619462908 1073588909 /nfs/dbraw/zinc/58/89/09/1073588909.db2.gz NNEMZTSLNYCALW-SWLSCSKDSA-N 1 1 429.505 0.988 20 0 ICADMO 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CO[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001619494035 1073592843 /nfs/dbraw/zinc/59/28/43/1073592843.db2.gz BDEKAIXOKMHBJQ-IXDOHACOSA-N 1 1 444.602 0.350 20 0 ICADMO CO[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001619494036 1073592745 /nfs/dbraw/zinc/59/27/45/1073592745.db2.gz BDEKAIXOKMHBJQ-YESZJQIVSA-N 1 1 444.602 0.350 20 0 ICADMO CO[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001619494891 1073592683 /nfs/dbraw/zinc/59/26/83/1073592683.db2.gz NFLINJKTCGCBMH-ARFHVFGLSA-N 1 1 437.570 0.963 20 0 ICADMO CO[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001619494892 1073592538 /nfs/dbraw/zinc/59/25/38/1073592538.db2.gz NFLINJKTCGCBMH-BZUAXINKSA-N 1 1 437.570 0.963 20 0 ICADMO CO[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001619494893 1073592776 /nfs/dbraw/zinc/59/27/76/1073592776.db2.gz NFLINJKTCGCBMH-HRCADAONSA-N 1 1 437.570 0.963 20 0 ICADMO 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