smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(C4CCCCC4)C3)C2=O)cc1 ZINC000225383734 291196523 /nfs/dbraw/zinc/19/65/23/291196523.db2.gz PKVUSVQLUXANLO-QUCCMNQESA-N 0 1 413.518 1.386 40 0 biogenic,in-vitro HDABMN CN(CC(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000024905108 132485095 /nfs/dbraw/zinc/48/50/95/132485095.db2.gz NYOJODZDMWMXMZ-UHFFFAOYSA-N 0 1 402.520 1.698 40 0 HDABMN O=C(NCc1n[nH]c2c1CCCC2)[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000019747658 558267188 /nfs/dbraw/zinc/26/71/88/558267188.db2.gz OUMLYLUNZPOPGZ-CYBMUJFWSA-N 0 1 406.483 1.755 40 0 HDABMN O=C([C@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCN(C2CCCC2)CC1 ZINC000019748132 558267498 /nfs/dbraw/zinc/26/74/98/558267498.db2.gz ONBQITJXEFLBCF-INIZCTEOSA-N 0 1 409.527 1.923 40 0 HDABMN Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNCCS(=O)(=O)N3CCCC3)cc12 ZINC000012186471 558345711 /nfs/dbraw/zinc/34/57/11/558345711.db2.gz FTXNOVRJNUOTCO-UHFFFAOYSA-N 0 1 415.519 1.537 40 0 HDABMN CN(CCc1ccncc1)C(=O)CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019586283 558939492 /nfs/dbraw/zinc/93/94/92/558939492.db2.gz QYWYLUGZQOIIDR-IBGZPJMESA-N 0 1 409.534 1.855 40 0 HDABMN O=C(c1ccc(=O)[nH]c1)N1CCN(Cc2ccccc2)C[C@@](O)(Cn2cccn2)C1 ZINC000072354515 558951705 /nfs/dbraw/zinc/95/17/05/558951705.db2.gz HBOHOTOFSSUAIN-QFIPXVFZSA-N 0 1 407.474 1.373 40 0 HDABMN CC(=O)N1CCC(N2CCN(C(C)=O)C[C@@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585282065 559119865 /nfs/dbraw/zinc/11/98/65/559119865.db2.gz GSQXLWVXSVSYMX-NRFANRHFSA-N 0 1 407.486 1.111 40 0 HDABMN O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CN2CCC(C(F)(F)F)CC2)C1 ZINC000585290905 559123509 /nfs/dbraw/zinc/12/35/09/559123509.db2.gz XSNHHJRTKXIVJI-CVEARBPZSA-N 0 1 408.442 1.057 40 0 HDABMN COCCNC(=O)c1ccc2nnc([C@@H]3CN(Cc4ccccc4)CCN3C)n2c1 ZINC000107189280 559164843 /nfs/dbraw/zinc/16/48/43/559164843.db2.gz ORVNXICNFVUAGK-IBGZPJMESA-N 0 1 408.506 1.594 40 0 HDABMN CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@@H](C)N[C@@]4(c5ccccc5NC4=O)[C@@H]3C2=O)cc1 ZINC000004127526 560893100 /nfs/dbraw/zinc/89/31/00/560893100.db2.gz APSOXGPIXXHVNR-UVJYZOCSSA-N 0 1 404.426 1.590 40 0 HDABMN O=C(c1ccc(Cl)cc1)N1C[C@@H]2COCCN2C2(CN(C3CCOCC3)C2)C1 ZINC000604382021 568489395 /nfs/dbraw/zinc/48/93/95/568489395.db2.gz ZHCSPPLUEDCQOE-LJQANCHMSA-N 0 1 405.926 1.730 40 0 biogenic,in-vitro HDABMN O=C(Nc1nnc(S(=O)(=O)NC[C@H]2CCCO2)s1)c1ccc(Cl)cc1 ZINC000223326508 568545219 /nfs/dbraw/zinc/54/52/19/568545219.db2.gz GBFORGNUJJXMQT-LLVKDONJSA-N 0 1 402.885 1.901 40 0 HDABMN COC1CCN([C@@H]2[C@@H](O)[C@H](Oc3ccccc3)C[C@H]2NC(=O)c2ncoc2C)CC1 ZINC000257250744 568790530 /nfs/dbraw/zinc/79/05/30/568790530.db2.gz JNWCVQNPSWVKPT-QCFAMHMHSA-N 0 1 415.490 1.773 40 0 HDABMN Cc1nc(C)c(CC(=O)N2CCC[C@H](c3[nH]ncc3C(=O)N3CCOCC3)C2)s1 ZINC000257300603 568804690 /nfs/dbraw/zinc/80/46/90/568804690.db2.gz RVAAEWBZJUXEMT-HNNXBMFYSA-N 0 1 417.535 1.904 40 0 HDABMN Cn1cc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2N2CCCCC2)cn1 ZINC000257306593 568806440 /nfs/dbraw/zinc/80/64/40/568806440.db2.gz SUYYCJGHUWIDID-ZRNYENFQSA-N 0 1 402.470 1.724 40 0 HDABMN Cc1cc(C(=O)N2CC[C@]3(C2)COCc2cnc(NCC4CCOCC4)nc23)n[nH]1 ZINC000306131721 568893925 /nfs/dbraw/zinc/89/39/25/568893925.db2.gz KNTWVAKKKHPSQR-NRFANRHFSA-N 0 1 412.494 1.661 40 0 HDABMN COc1ccc(CN2CC[C@]3(C2)Cn2c(nn(CC(C)C)c(=O)c2=O)CO3)cc1 ZINC000306136681 568898440 /nfs/dbraw/zinc/89/84/40/568898440.db2.gz QADXAFQNHMIMCO-NRFANRHFSA-N 0 1 400.479 1.245 40 0 HDABMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cnc(N3CCCC3)nc2N(C)C)cc1 ZINC000224343379 569059428 /nfs/dbraw/zinc/05/94/28/569059428.db2.gz WZFMPIMAGVDFJJ-UHFFFAOYSA-N 0 1 404.496 1.902 40 0 HDABMN CN(CCc1ccccc1)[C@H]1[C@@H](CNC(=O)Nc2ccsc2)O[C@@H](CO)[C@H]1O ZINC000020465797 291193296 /nfs/dbraw/zinc/19/32/96/291193296.db2.gz JMTGXEAVGHLXGR-YDZRNGNQSA-N 0 1 405.520 1.533 40 0 biogenic,in-vitro HDABMN COc1ccc(-c2cc([C@H]3C[N@H+]4CC[C@H]3C[C@@H]4CNS(C)(=O)=O)n(C)n2)cc1 ZINC000008635381 291196207 /nfs/dbraw/zinc/19/62/07/291196207.db2.gz LIGJLCJEYRGEDL-JZXOWHBKSA-N 0 1 404.536 1.823 40 0 biogenic,in-vitro HDABMN COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNS(C)(=O)=O)n(C)n2)cc1 ZINC000008635381 291196208 /nfs/dbraw/zinc/19/62/08/291196208.db2.gz LIGJLCJEYRGEDL-JZXOWHBKSA-N 0 1 404.536 1.823 40 0 biogenic,in-vitro HDABMN COCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(N[C@H]2C(C)C)C(=O)Nc2ccc(Cl)cc21 ZINC000009058805 557017142 /nfs/dbraw/zinc/01/71/42/557017142.db2.gz CDIXBQRWOTYOAO-OLPIVMHESA-N 0 1 405.882 1.753 40 0 HDABMN Cc1cnn(CCC(=O)N2CCC[C@H](C3=Nc4ccccc4S(=O)(=O)N3)C2)c1 ZINC000019239974 558858698 /nfs/dbraw/zinc/85/86/98/558858698.db2.gz JIWTVHPMRAHIPS-HNNXBMFYSA-N 0 1 401.492 1.842 40 0 HDABMN CN(C)S(=O)(=O)NCC(=O)N1CCC[C@H](Cc2nc3ccc(Cl)cc3[nH]2)C1 ZINC000019716795 558979036 /nfs/dbraw/zinc/97/90/36/558979036.db2.gz NJXSRLBORQWOBS-GFCCVEGCSA-N 0 1 413.931 1.393 40 0 HDABMN CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(Cc2cnn(C)c2)CC3)C1=O ZINC000096036572 559090420 /nfs/dbraw/zinc/09/04/20/559090420.db2.gz DXRARNSLPJRAGK-NRFANRHFSA-N 0 1 402.543 1.238 40 0 HDABMN CC(=O)N1CCC(N2CCN(C(C)=O)C[C@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585282067 559119932 /nfs/dbraw/zinc/11/99/32/559119932.db2.gz GSQXLWVXSVSYMX-OAQYLSRUSA-N 0 1 407.486 1.111 40 0 HDABMN NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)c2ccc3[nH]nnc3c2)CCO1 ZINC000585284075 559120934 /nfs/dbraw/zinc/12/09/34/559120934.db2.gz RETXTSCWNZZBOI-FQEVSTJZSA-N 0 1 413.409 1.263 40 0 HDABMN O=C(Cn1ccnc1)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1 ZINC000257318750 559283004 /nfs/dbraw/zinc/28/30/04/559283004.db2.gz VPFFTPFTRURVAG-QNWVGRARSA-N 0 1 412.534 1.573 40 0 HDABMN O=C([O-])c1cccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C3(CN(CCc4ccccc4)C3)C2)c1 ZINC000514290346 560029747 /nfs/dbraw/zinc/02/97/47/560029747.db2.gz XPNDOAOTFYIVMO-XZOQPEGZSA-N 0 1 421.541 1.933 40 0 biogenic,in-vitro HDABMN O=C([O-])c1cccc(C[N@H+]2C[C@@H]3C[C@@H](O)CN3C3(CN(CCc4ccccc4)C3)C2)c1 ZINC000514290346 560029748 /nfs/dbraw/zinc/02/97/48/560029748.db2.gz XPNDOAOTFYIVMO-XZOQPEGZSA-N 0 1 421.541 1.933 40 0 biogenic,in-vitro HDABMN O=C([O-])c1cccc(C[N@@H+]2C[C@@H]3C[C@@H](O)CN3C3(CN(CCc4ccccc4)C3)C2)c1 ZINC000514290346 560029750 /nfs/dbraw/zinc/02/97/50/560029750.db2.gz XPNDOAOTFYIVMO-XZOQPEGZSA-N 0 1 421.541 1.933 40 0 biogenic,in-vitro HDABMN CN(CCc1ccccn1)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2cnc3ccccc3c2)[C@@H]1O ZINC000020463988 560092761 /nfs/dbraw/zinc/09/27/61/560092761.db2.gz AQVGPLVNVBAQCC-ZSXJVMONSA-N 0 1 420.513 1.747 40 0 biogenic,in-vitro HDABMN Cc1nnc(SCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)[nH]1 ZINC000222538738 568517705 /nfs/dbraw/zinc/51/77/05/568517705.db2.gz USDWKMUYZXOWHQ-CQSZACIVSA-N 0 1 409.537 1.422 40 0 HDABMN CCCNS(=O)(=O)c1ccc(OCC(=O)NCCSc2nnc(C)[nH]2)cc1 ZINC000222665676 568522791 /nfs/dbraw/zinc/52/27/91/568522791.db2.gz QVKZPLJARJHSEU-UHFFFAOYSA-N 0 1 413.525 1.089 40 0 HDABMN COCCn1c(C)cc(O)c([C@H](c2ccccc2)N2CCN(CCO)CC2)c1=O ZINC000021097654 568665275 /nfs/dbraw/zinc/66/52/75/568665275.db2.gz LRCCPTKNXCKSLU-NRFANRHFSA-N 0 1 401.507 1.208 40 0 HDABMN CN(Cc1cc(OCc2ccccc2)ccc1OCC(N)=O)[C@@H]1CCC[C@@H](O)[C@@H]1O ZINC000257262402 568793446 /nfs/dbraw/zinc/79/34/46/568793446.db2.gz LLFQJBSTFXABES-TXTKFYIRSA-N 0 1 414.502 1.836 40 0 HDABMN O=C(c1cn[nH]c1[C@@H]1CCCN(C(=O)[C@H]2OCCc3ccccc32)C1)N1CCOCC1 ZINC000257316817 568809441 /nfs/dbraw/zinc/80/94/41/568809441.db2.gz VHDDZAHHRPUYMY-UTKZUKDTSA-N 0 1 424.501 1.902 40 0 HDABMN COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3cccnc3C)[C@H](N(C)CCO)[C@H]2O)c1 ZINC000257321477 568810865 /nfs/dbraw/zinc/81/08/65/568810865.db2.gz WBVSHTUGUFUMFS-CGXNFDGLSA-N 0 1 415.490 1.002 40 0 HDABMN C[C@@]1(NCCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CCS(=O)(=O)C1 ZINC000575424813 569026705 /nfs/dbraw/zinc/02/67/05/569026705.db2.gz NVJBRACEXAKNTH-CYBMUJFWSA-N 0 1 401.337 1.439 40 0 HDABMN O=C(Cc1c[nH]c2ccccc12)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 ZINC000224329804 569057439 /nfs/dbraw/zinc/05/74/39/569057439.db2.gz LRBTUZSDGZRMDN-UHFFFAOYSA-N 0 1 406.490 1.686 40 0 HDABMN O=S(=O)(c1ccccc1Cl)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 ZINC000224333938 569058575 /nfs/dbraw/zinc/05/85/75/569058575.db2.gz WSJKYTPINXFAFS-UHFFFAOYSA-N 0 1 423.926 1.478 40 0 HDABMN COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1OC ZINC000006170136 569329720 /nfs/dbraw/zinc/32/97/20/569329720.db2.gz JEJAYRICCZWSKT-RIYZIHGNSA-N 0 1 414.370 1.502 40 0 HDABMN Cc1noc(C)c1S(=O)(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCCN2)n1 ZINC000019709858 569428845 /nfs/dbraw/zinc/42/88/45/569428845.db2.gz NPTXHLIGIHXGMQ-OAHLLOKOSA-N 0 1 408.528 1.783 40 0 HDABMN COCc1cn(C[C@H]2C[C@H]3CC[N@H+]2C[C@@H]3C(=O)NCc2ccc3c(c2)OCO3)nn1 ZINC000008298853 291195831 /nfs/dbraw/zinc/19/58/31/291195831.db2.gz POHJWGNNAOXJQO-NXHRZFHOSA-N 0 1 413.478 1.180 40 0 biogenic,in-vitro HDABMN O=S(=O)(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020503803 291201815 /nfs/dbraw/zinc/20/18/15/291201815.db2.gz COKZCMQHGXFWME-XYJFISCASA-N 0 1 413.971 1.661 40 0 biogenic,in-vitro HDABMN O=C(COc1ccc(F)cc1)N1CCC[C@@H](c2cc(C(=O)N3CCOCC3)[nH]n2)C1 ZINC000072380707 526956740 /nfs/dbraw/zinc/95/67/40/526956740.db2.gz UDSWNCOCQTWCKV-OAHLLOKOSA-N 0 1 416.453 1.806 40 0 HDABMN COCCCN1C(=O)[C@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O ZINC000009058803 557016968 /nfs/dbraw/zinc/01/69/68/557016968.db2.gz CDIXBQRWOTYOAO-ASKKUZCQSA-N 0 1 405.882 1.753 40 0 HDABMN O=C(Cn1cc(C(=O)Nc2ccc(F)cc2)ccc1=O)N1CCN2CCCC[C@H]2C1 ZINC000019751543 558271605 /nfs/dbraw/zinc/27/16/05/558271605.db2.gz LSRVOXBUXHXIRI-IBGZPJMESA-N 0 1 412.465 1.936 40 0 HDABMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000019936622 558312241 /nfs/dbraw/zinc/31/22/41/558312241.db2.gz OOFQAGDGJNJYLZ-UHFFFAOYSA-N 0 1 422.415 1.736 40 0 HDABMN O=C1CCC[C@]2(CN(Cc3cnc(N4CCOCC4)nc3)C[C@H]2c2cccnc2)N1 ZINC000019339972 558871423 /nfs/dbraw/zinc/87/14/23/558871423.db2.gz NRIFNPUSYCWSDE-SIKLNZKXSA-N 0 1 408.506 1.347 40 0 HDABMN O=C1CCC[C@]2(CN(Cc3cnc(N4CCOCC4)nc3)C[C@H]2c2ccccc2)N1 ZINC000019373763 558880917 /nfs/dbraw/zinc/88/09/17/558880917.db2.gz FDYQSFLBFHCBOK-NZQKXSOJSA-N 0 1 407.518 1.952 40 0 HDABMN CN(C)S(=O)(=O)N1CC[C@H](c2cc(CCOc3ccc(F)c(F)c3)n[nH]2)C1 ZINC000072371323 558957933 /nfs/dbraw/zinc/95/79/33/558957933.db2.gz WQJHVIMYLODSHR-LBPRGKRZSA-N 0 1 400.451 1.905 40 0 HDABMN Cc1nc(CC(=O)N2CCC[C@@H](c3cc(C(=O)N4CCOCC4)[nH]n3)C2)cs1 ZINC000072380629 558968517 /nfs/dbraw/zinc/96/85/17/558968517.db2.gz OQCMSLGEFZHEOG-CQSZACIVSA-N 0 1 403.508 1.596 40 0 HDABMN O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000036151839 558983632 /nfs/dbraw/zinc/98/36/32/558983632.db2.gz BIFWRLIMBVQLOC-ZMHGRXQUSA-N 0 1 417.421 1.847 40 0 HDABMN CCOc1cc(/C=C2\NC(=O)NC2=O)cc(I)c1OC(C)=O ZINC000015931890 558993014 /nfs/dbraw/zinc/99/30/14/558993014.db2.gz JJZXVOZWDNYPKD-YHYXMXQVSA-N 0 1 416.171 1.796 40 0 HDABMN CS(=O)(=O)N1C[C@@H](c2nc[nH]n2)c2cc(C(=O)NCc3cccc(F)c3)ccc21 ZINC000096156444 559100496 /nfs/dbraw/zinc/10/04/96/559100496.db2.gz PHLZSZDAAWZVHT-MRXNPFEDSA-N 0 1 415.450 1.785 40 0 HDABMN CN(C)CC(=O)N1CCN(c2ccc3ccc(C(=O)NCc4ccncc4)cn32)CC1 ZINC000096267384 559108094 /nfs/dbraw/zinc/10/80/94/559108094.db2.gz USORNXMITJNOKR-UHFFFAOYSA-N 0 1 420.517 1.475 40 0 HDABMN NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)c2[nH]nc3ccccc32)CCO1 ZINC000585284698 559121318 /nfs/dbraw/zinc/12/13/18/559121318.db2.gz VIJHFEYUWMMHMH-OAQYLSRUSA-N 0 1 412.421 1.868 40 0 HDABMN C[C@@H]1CCC[N@@H+](CCC[N-]S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)C1 ZINC000224683480 568592167 /nfs/dbraw/zinc/59/21/67/568592167.db2.gz GGAKVSMAALRZFG-GFCCVEGCSA-N 0 1 403.574 1.923 40 0 HDABMN CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)COc2ccccc2OC)s1 ZINC000225434478 568637813 /nfs/dbraw/zinc/63/78/13/568637813.db2.gz WNLSIQSQMSLGQS-JTQLQIEISA-N 0 1 400.482 1.641 40 0 HDABMN Cc1cn([C@@H]2CN(C(=O)CCCc3nc4ccc(F)cc4[nH]3)C[C@H]2O)c(=O)[nH]c1=O ZINC000257241098 568787661 /nfs/dbraw/zinc/78/76/61/568787661.db2.gz HWPSSUHDRXGVRE-HZPDHXFCSA-N 0 1 415.425 1.040 40 0 HDABMN Cc1c(C(=O)N2CCC[C@@](O)(CN3CCOCC3)CC2)sc2[nH]cnc(=O)c12 ZINC000257288390 568800974 /nfs/dbraw/zinc/80/09/74/568800974.db2.gz PUADMOSVFOIYKK-IBGZPJMESA-N 0 1 406.508 1.395 40 0 HDABMN Cc1ccc2[nH]c(C(=O)[O-])c(C[N@H+]3CCOC[C@]4(Cc5c(nc(N)nc5N)O4)C3)c2c1 ZINC000257319912 568810557 /nfs/dbraw/zinc/81/05/57/568810557.db2.gz VUORYPVYGKKBDY-NRFANRHFSA-N 0 1 424.461 1.335 40 0 HDABMN Cc1ccc2ncc(CN3CCC4(C[C@H](CNC(=O)c5nccn5C)O4)CC3)n2c1 ZINC000306132555 568894911 /nfs/dbraw/zinc/89/49/11/568894911.db2.gz LLZULNVPKDFQGY-GOSISDBHSA-N 0 1 408.506 1.930 40 0 HDABMN O=S(=O)(c1ccccc1Cl)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 ZINC000224326186 569057382 /nfs/dbraw/zinc/05/73/82/569057382.db2.gz QTLWVFPRPOKKOB-UHFFFAOYSA-N 0 1 423.926 1.478 40 0 HDABMN COc1ccc(Cl)cc1C(=O)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 ZINC000224329620 569057418 /nfs/dbraw/zinc/05/74/18/569057418.db2.gz RSKUYOMZZFPVQQ-UHFFFAOYSA-N 0 1 417.897 1.938 40 0 HDABMN Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)c1 ZINC000224324709 569057437 /nfs/dbraw/zinc/05/74/37/569057437.db2.gz HYFMXZJLMLOKJO-UHFFFAOYSA-N 0 1 417.535 1.441 40 0 HDABMN CCOc1ccc(S(=O)(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)cc1 ZINC000224346417 569059526 /nfs/dbraw/zinc/05/95/26/569059526.db2.gz ITFRZMNAKMLYRU-UHFFFAOYSA-N 0 1 407.496 1.579 40 0 HDABMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)cc1 ZINC000224346889 569059531 /nfs/dbraw/zinc/05/95/31/569059531.db2.gz XFMJDQOFIIYQFG-UHFFFAOYSA-N 0 1 420.495 1.138 40 0 HDABMN CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CCN(CC(=O)N3CCCC3)C2)n1 ZINC000019694735 569346627 /nfs/dbraw/zinc/34/66/27/569346627.db2.gz VZUFXNQCZDEWKW-GOSISDBHSA-N 0 1 422.533 1.720 40 0 HDABMN CN(Cc1cccnc1)C(=O)[C@@H]1CCC[C@@H](NCc2nccn2C)CN(C)C(=O)C1 ZINC000096113479 291193879 /nfs/dbraw/zinc/19/38/79/291193879.db2.gz MDLUKUFLIFHNIX-RTBURBONSA-N 0 1 412.538 1.581 40 0 biogenic,in-vitro HDABMN Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(CC4CCCCC4)C3)C2=O)o1 ZINC000225397284 291198606 /nfs/dbraw/zinc/19/86/06/291198606.db2.gz VPIYFZNPDNUPIU-MJGOQNOKSA-N 0 1 401.507 1.527 40 0 biogenic,in-vitro HDABMN CS(=O)(=O)c1cnc(N2CCCCC2)nc1C1CCN(C(=O)c2ccn[nH]2)CC1 ZINC000012087388 132353607 /nfs/dbraw/zinc/35/36/07/132353607.db2.gz NNSVJOGFPYOZFE-UHFFFAOYSA-N 0 1 418.523 1.613 40 0 HDABMN O=C(OCc1ccccc1)[C@]12SCCN1C(=O)C2N1C(=O)c2ccccc2C1=O ZINC000008637574 557798040 /nfs/dbraw/zinc/79/80/40/557798040.db2.gz NVRCDVLPCQPRIE-KKSFZXQISA-N 0 1 408.435 1.680 40 0 HDABMN CCCCN1C(=O)[C@H]2[C@@H](CCC(N)=O)N[C@]3(c4cccc(Cl)c4NC3=O)[C@@H]2C1=O ZINC000009044575 557820422 /nfs/dbraw/zinc/82/04/22/557820422.db2.gz MFBMDYLIKLCJBX-CPJALAGPSA-N 0 1 418.881 1.126 40 0 HDABMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](C)N[C@@]32c3ccccc3NC2=O)cc1 ZINC000015306470 558731478 /nfs/dbraw/zinc/73/14/78/558731478.db2.gz APSOXGPIXXHVNR-ZXZGXHOWSA-N 0 1 404.426 1.590 40 0 HDABMN O=C(C[C@H]1SC(=O)NC1=O)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 ZINC000019406683 558885159 /nfs/dbraw/zinc/88/51/59/558885159.db2.gz FFIGDQPJAHLHCO-CYBMUJFWSA-N 0 1 418.500 1.946 40 0 HDABMN COCCC(=O)N1CCC(c2cc3nc4c(c(=O)n3[n-]2)C[N@H+](C(C)C)CC4)CC1 ZINC000019448147 558887174 /nfs/dbraw/zinc/88/71/74/558887174.db2.gz WIYREMXYAPNAHZ-UHFFFAOYSA-N 0 1 401.511 1.944 40 0 HDABMN COc1cccc(OCCc2cc([C@@H]3CCN(C(=O)CN4CCOCC4)C3)n[nH]2)c1 ZINC000072371429 558958061 /nfs/dbraw/zinc/95/80/61/558958061.db2.gz QYDLJVJPXDHQLE-QGZVFWFLSA-N 0 1 414.506 1.688 40 0 HDABMN CS(=O)(=O)N1CCC[C@@H](c2ccc(C(=O)N3CCN(C4CCCC4)CC3)cn2)C1 ZINC000019706068 558968714 /nfs/dbraw/zinc/96/87/14/558968714.db2.gz LINWOEAIPYAJID-GOSISDBHSA-N 0 1 420.579 1.921 40 0 HDABMN CCN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(Cc2ccc(C)o2)CC3)C1=O ZINC000096036535 559090296 /nfs/dbraw/zinc/09/02/96/559090296.db2.gz OTKLQVYTDVPYFG-HXUWFJFHSA-N 0 1 409.552 1.684 40 0 HDABMN CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(Cc2cnn(C)c2)CC3)C1=O ZINC000096036573 559090452 /nfs/dbraw/zinc/09/04/52/559090452.db2.gz DXRARNSLPJRAGK-OAQYLSRUSA-N 0 1 402.543 1.238 40 0 HDABMN CCCC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CCN(C)C)[C@H]2CC1 ZINC000096145930 559097655 /nfs/dbraw/zinc/09/76/55/559097655.db2.gz VLJPGNKJMQILDT-IRXDYDNUSA-N 0 1 409.552 1.791 40 0 HDABMN CN(C)CCN1[C@H]2CCN(C(=O)C3CC3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145927 559097660 /nfs/dbraw/zinc/09/76/60/559097660.db2.gz UUMBGASPXSGBPG-IRXDYDNUSA-N 0 1 407.536 1.401 40 0 HDABMN CS(=O)(=O)N1C[C@H](c2nc[nH]n2)c2cc(C(=O)NCc3cccc(F)c3)ccc21 ZINC000096156443 559100467 /nfs/dbraw/zinc/10/04/67/559100467.db2.gz PHLZSZDAAWZVHT-INIZCTEOSA-N 0 1 415.450 1.785 40 0 HDABMN Cc1cc(C(=O)N2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C)C3)n[nH]1 ZINC000096263476 559107123 /nfs/dbraw/zinc/10/71/23/559107123.db2.gz TXFQUFWHAFIGKN-UHFFFAOYSA-N 0 1 404.492 1.654 40 0 HDABMN COCCN(C)C(=O)c1ccc2nnc([C@@H]3CN(Cc4ccccc4)CCN3C)n2c1 ZINC000107189301 559164902 /nfs/dbraw/zinc/16/49/02/559164902.db2.gz CVPOKMAKHWKOMV-FQEVSTJZSA-N 0 1 422.533 1.936 40 0 HDABMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1 ZINC000007360477 560750315 /nfs/dbraw/zinc/75/03/15/560750315.db2.gz WNTGHSZJLOECSC-UHFFFAOYSA-N 0 1 406.460 1.977 40 0 HDABMN COc1cc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2cccnc2)ccc1O ZINC000004269949 560894179 /nfs/dbraw/zinc/89/41/79/560894179.db2.gz KYUZLWFKQNZOHE-CPUCHLNUSA-N 0 1 411.336 1.900 40 0 HDABMN CNC(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)OC)ccc2OC)ccc1OC ZINC000223784409 568559009 /nfs/dbraw/zinc/55/90/09/568559009.db2.gz IHAMUNCQJHPNGH-UHFFFAOYSA-N 0 1 408.432 1.651 40 0 HDABMN CCC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(OC)c(OC)c2OC)s1 ZINC000225346953 568630939 /nfs/dbraw/zinc/63/09/39/568630939.db2.gz IJZYFWYVJIANPE-UHFFFAOYSA-N 0 1 416.481 1.391 40 0 HDABMN CN(C)c1ncc2c(n1)[C@@]1(CCN(Cc3cccc(N4CCOCC4)n3)C1)COC2 ZINC000248084405 568747274 /nfs/dbraw/zinc/74/72/74/568747274.db2.gz DJKUWCUNDOFKRR-JOCHJYFZSA-N 0 1 410.522 1.448 40 0 HDABMN C[C@@H]1CN(c2ncc3c(n2)[C@@]2(CCN(Cc4cccnc4N)C2)COC3)C[C@H](C)O1 ZINC000253603059 568754992 /nfs/dbraw/zinc/75/49/92/568754992.db2.gz IOXVYOVSVKPCPV-ZMPRRUGASA-N 0 1 410.522 1.741 40 0 HDABMN Cn1nc(C(=O)N2CCCC[C@H]2c2[nH]ncc2C(=O)N2CCCCCC2)ccc1=O ZINC000257223012 568782951 /nfs/dbraw/zinc/78/29/51/568782951.db2.gz DVNAJEPEEVETPN-KRWDZBQOSA-N 0 1 412.494 1.887 40 0 HDABMN CC(=O)NCC(=O)N1CCO[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000257295673 568803113 /nfs/dbraw/zinc/80/31/13/568803113.db2.gz QZJXROWRTIITPH-GOSISDBHSA-N 0 1 406.870 1.721 40 0 HDABMN Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccc(N4CCN(C)CC4)cc3)C2)ncn1 ZINC000257301465 568804792 /nfs/dbraw/zinc/80/47/92/568804792.db2.gz RYNPKJNGSUJHNB-HSZRJFAPSA-N 0 1 424.549 1.250 40 0 HDABMN Cn1c2nccc([C@H]3CCCN(C(=O)[C@@H](N)c4ccccc4)C3)c2c(=O)n(C)c1=O ZINC000257311688 568807771 /nfs/dbraw/zinc/80/77/71/568807771.db2.gz UKPZJCWKDXQGQE-YJBOKZPZSA-N 0 1 407.474 1.038 40 0 HDABMN O=C(NCc1cccnc1)[C@H]1CN(CC2CC2)C[C@@]2(CCN(C(=O)C3CCC3)C2)O1 ZINC000306127493 568890217 /nfs/dbraw/zinc/89/02/17/568890217.db2.gz FZYHSISUSURUTN-NFBKMPQASA-N 0 1 412.534 1.580 40 0 HDABMN O=C(NCc1cccnc1)[C@@H]1CN(CC2CC2)C[C@]2(CCN(C(=O)C3CCC3)C2)O1 ZINC000306127496 568890503 /nfs/dbraw/zinc/89/05/03/568890503.db2.gz FZYHSISUSURUTN-REWPJTCUSA-N 0 1 412.534 1.580 40 0 HDABMN Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)cc1 ZINC000224324133 569057380 /nfs/dbraw/zinc/05/73/80/569057380.db2.gz RKYFTJXIWZHFMY-UHFFFAOYSA-N 0 1 403.508 1.133 40 0 HDABMN CCc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)cc1 ZINC000224325411 569057393 /nfs/dbraw/zinc/05/73/93/569057393.db2.gz CKCSLVVNULMKFJ-UHFFFAOYSA-N 0 1 417.535 1.387 40 0 HDABMN O=C(c1ccc(Br)o1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 ZINC000224329405 569057403 /nfs/dbraw/zinc/05/74/03/569057403.db2.gz KRZVFFBFMSIFAH-UHFFFAOYSA-N 0 1 422.283 1.631 40 0 HDABMN Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)c(C)c1 ZINC000224324209 569057446 /nfs/dbraw/zinc/05/74/46/569057446.db2.gz XLWJMPBCWCPSAO-UHFFFAOYSA-N 0 1 417.535 1.441 40 0 HDABMN CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)n1 ZINC000019709605 569348087 /nfs/dbraw/zinc/34/80/87/569348087.db2.gz SZKRJLQXIYMWGM-GOSISDBHSA-N 0 1 416.570 1.935 40 0 HDABMN Cc1noc(C)c1S(=O)(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCCN2)n1 ZINC000019709857 569428899 /nfs/dbraw/zinc/42/88/99/569428899.db2.gz NPTXHLIGIHXGMQ-HNNXBMFYSA-N 0 1 408.528 1.783 40 0 HDABMN CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(N[C@H]2CCC(N)=O)c2cccc(Cl)c2NC1=O ZINC000009044571 557820338 /nfs/dbraw/zinc/82/03/38/557820338.db2.gz MFBMDYLIKLCJBX-LTKYSVDLSA-N 0 1 418.881 1.126 40 0 HDABMN COC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1ccccc1 ZINC000019818045 558288152 /nfs/dbraw/zinc/28/81/52/558288152.db2.gz QVSSKRUVPGNMGC-RTBURBONSA-N 0 1 410.449 1.964 40 0 HDABMN COC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@H]1c1ccccc1 ZINC000019818059 558288212 /nfs/dbraw/zinc/28/82/12/558288212.db2.gz RNHTXODSGBJUGF-UXHICEINSA-N 0 1 422.485 1.834 40 0 HDABMN COC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@H]1c1ccccc1 ZINC000019818092 558288442 /nfs/dbraw/zinc/28/84/42/558288442.db2.gz YZKOLHOOZIJRLJ-OALUTQOASA-N 0 1 410.449 1.964 40 0 HDABMN O=C(CCCn1cncn1)N1CCC[C@@H](C2=Nc3ccccc3S(=O)(=O)N2)C1 ZINC000019375638 558881719 /nfs/dbraw/zinc/88/17/19/558881719.db2.gz QTULNCZAFZYOEG-CQSZACIVSA-N 0 1 402.480 1.319 40 0 HDABMN CCS(=O)(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[n-]2)C[N@H+](C(C)C)CC4)C1 ZINC000019520306 558901273 /nfs/dbraw/zinc/90/12/73/558901273.db2.gz QFKWEVPUPMAWFD-AWEZNQCLSA-N 0 1 407.540 1.731 40 0 HDABMN CCc1nccn1CC(=O)N1CCC[C@H](C2=Nc3ccccc3S(=O)(=O)N2)C1 ZINC000019523494 558904695 /nfs/dbraw/zinc/90/46/95/558904695.db2.gz YGZHGKDCEMGFQH-AWEZNQCLSA-N 0 1 401.492 1.706 40 0 HDABMN CS(=O)(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 ZINC000019572364 558930424 /nfs/dbraw/zinc/93/04/24/558930424.db2.gz JTVMJKWWMBCHFW-CYBMUJFWSA-N 0 1 408.549 1.941 40 0 HDABMN CN1CCC(NS(=O)(=O)c2ccc3c(c2)C[C@@H](NC(=O)c2ccccc2)C3)CC1 ZINC000072345768 558942329 /nfs/dbraw/zinc/94/23/29/558942329.db2.gz WNIXWEFECFKQAP-FQEVSTJZSA-N 0 1 413.543 1.956 40 0 HDABMN Cc1nc(CC(=O)N2CCCC[C@@H]2c2cc(C(=O)N3CCOCC3)[nH]n2)cs1 ZINC000072380632 558968490 /nfs/dbraw/zinc/96/84/90/558968490.db2.gz QHIXJEQUGINEDK-QGZVFWFLSA-N 0 1 403.508 1.943 40 0 HDABMN COCCN1CCN(c2ccc3ccc(C(=O)NCC4CCOCC4)cn32)CC1 ZINC000096155897 559099947 /nfs/dbraw/zinc/09/99/47/559099947.db2.gz OOEVHQOOCRPMRA-UHFFFAOYSA-N 0 1 400.523 1.864 40 0 HDABMN CN(CCO)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1ccc(F)cc1 ZINC000585262397 559110922 /nfs/dbraw/zinc/11/09/22/559110922.db2.gz MWDHZNFOKKAMLZ-ZRNYENFQSA-N 0 1 406.429 1.568 40 0 HDABMN O=C(CCc1ccccc1)N1CC[C@](O)(CN2CCN(c3ccccn3)CC2)[C@@H](O)C1 ZINC000585283137 559120514 /nfs/dbraw/zinc/12/05/14/559120514.db2.gz CHGIRCJMQXKADX-URXFXBBRSA-N 0 1 424.545 1.161 40 0 HDABMN CN1CCN(C[C@@H]2OC[C@H](NC(=O)Nc3cccc(C(F)(F)F)c3)[C@H]2O)CC1 ZINC000514289557 560032476 /nfs/dbraw/zinc/03/24/76/560032476.db2.gz UYMAYWCWURKEEV-HRCADAONSA-N 0 1 402.417 1.203 40 0 biogenic,in-vitro HDABMN NC(=O)[C@@H]1CCC[N@H+]1CC[C@H]1CN(S(=O)(=O)c2ccccc2)CC[C@H]1CC(=O)[O-] ZINC000020463028 560093002 /nfs/dbraw/zinc/09/30/02/560093002.db2.gz IIYOZLZQJJTAEO-BQFCYCMXSA-N 0 1 423.535 1.128 40 0 biogenic,in-vitro HDABMN O=C1N[C@@H](c2ccc3c(c2)OCO3)C(=C(O)c2cccnc2)[C@](O)(C(F)(F)F)N1 ZINC000011859296 560775326 /nfs/dbraw/zinc/77/53/26/560775326.db2.gz NGXKDHNDHYWXGJ-KEYYUXOJSA-N 0 1 409.320 1.914 40 0 HDABMN CCN1CCN([C@@H](c2nnnn2CCOC)c2cc3cccc(C)c3[nH]c2=O)CC1 ZINC000019973065 560877669 /nfs/dbraw/zinc/87/76/69/560877669.db2.gz HLTSVMXYDGAIFN-LJQANCHMSA-N 0 1 411.510 1.196 40 0 HDABMN CC(=O)O[C@@H]1CO[C@H](NC(=S)Oc2ccccc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005291864 568443138 /nfs/dbraw/zinc/44/31/38/568443138.db2.gz NVMIWRCOWFDARZ-VQHPVUNQSA-N 0 1 411.432 1.091 40 0 HDABMN CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCSc2nc(-c3ccccc3)n[nH]2)C1 ZINC000222617391 568520861 /nfs/dbraw/zinc/52/08/61/568520861.db2.gz SRGIFRFULAYVTB-OAHLLOKOSA-N 0 1 423.564 1.742 40 0 HDABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]CCC[N@H+]2CCc3ccccc3C2)s1 ZINC000224749074 568594931 /nfs/dbraw/zinc/59/49/31/568594931.db2.gz MAYFDKZADOQEOB-UHFFFAOYSA-N 0 1 423.564 1.859 40 0 HDABMN COC(=O)C1C(CNCCN2CCOCC2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000020518264 568625813 /nfs/dbraw/zinc/62/58/13/568625813.db2.gz RWYNAKYGBYMEGR-LJQANCHMSA-N 0 1 402.495 1.006 40 0 HDABMN CCC(=O)Nc1nnc(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)s1 ZINC000225842250 568679821 /nfs/dbraw/zinc/67/98/21/568679821.db2.gz DEFRFZVBTNLFJS-UHFFFAOYSA-N 0 1 410.521 1.913 40 0 HDABMN COc1ccc([C@@H](CC(=O)NCCSc2nnc(C)[nH]2)NS(C)(=O)=O)cc1 ZINC000225953306 568688750 /nfs/dbraw/zinc/68/87/50/568688750.db2.gz HZXWHYDSNGPCQQ-CQSZACIVSA-N 0 1 413.525 1.011 40 0 HDABMN CN(C)c1ncc2c(n1)[C@]1(CCN(Cc3cccc(N4CCOCC4)n3)C1)COC2 ZINC000248084410 568747210 /nfs/dbraw/zinc/74/72/10/568747210.db2.gz DJKUWCUNDOFKRR-QFIPXVFZSA-N 0 1 410.522 1.448 40 0 HDABMN COc1cccc(O[C@@H]2C[C@@H](Nc3ccncn3)[C@H](N3CCC(O)CC3)[C@H]2O)c1 ZINC000257279519 568798298 /nfs/dbraw/zinc/79/82/98/568798298.db2.gz OGZNQWWUNDOLQZ-QCFAMHMHSA-N 0 1 400.479 1.303 40 0 HDABMN CNc1nc([C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)nc2c1CN(C(C)=O)CC2 ZINC000257283936 568799640 /nfs/dbraw/zinc/79/96/40/568799640.db2.gz PANMVQMDZQSORR-QGZVFWFLSA-N 0 1 414.554 1.471 40 0 HDABMN O=C(c1cn[nH]c1[C@H]1CCCN(C(=O)[C@H]2OCCc3ccccc32)C1)N1CCOCC1 ZINC000257316818 568809456 /nfs/dbraw/zinc/80/94/56/568809456.db2.gz VHDDZAHHRPUYMY-UWJYYQICSA-N 0 1 424.501 1.902 40 0 HDABMN COc1ncccc1CN1CC[C@@]2(Cc3nn(Cc4ccccc4)c(=O)c(=O)n3C2)C1 ZINC000306123703 568886774 /nfs/dbraw/zinc/88/67/74/568886774.db2.gz AUDRJOYFWGFYND-HSZRJFAPSA-N 0 1 419.485 1.305 40 0 HDABMN CN1C[C@H](C(=O)NCc2cccs2)OC2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000306130498 568892867 /nfs/dbraw/zinc/89/28/67/568892867.db2.gz JIIYCXLTKMWWJR-QGZVFWFLSA-N 0 1 403.504 1.963 40 0 HDABMN O=c1c(=O)n(C2CCCC2)nc2n1C[C@]1(CCN(Cc3cccc(F)c3)C1)OC2 ZINC000306133476 568895733 /nfs/dbraw/zinc/89/57/33/568895733.db2.gz MMRKOQDZQRCGFE-OAQYLSRUSA-N 0 1 400.454 1.834 40 0 HDABMN COCCN1CCc2nc3n(c(=O)c2C1)[C@@]1(CC3)CCN(Cc2nccs2)C1 ZINC000306143233 568904811 /nfs/dbraw/zinc/90/48/11/568904811.db2.gz XWXFBYGZUXWXDN-FQEVSTJZSA-N 0 1 401.536 1.252 40 0 HDABMN Cc1ccc(S(=O)(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)cc1C ZINC000224332579 569058577 /nfs/dbraw/zinc/05/85/77/569058577.db2.gz BAZKHLHVZXJXRD-UHFFFAOYSA-N 0 1 417.535 1.441 40 0 HDABMN COc1c(Br)cc(Br)cc1C=C1C(=O)NC(=O)NC1=O ZINC000005915263 569329038 /nfs/dbraw/zinc/32/90/38/569329038.db2.gz RNPUZIPZCVRVAD-UHFFFAOYSA-N 0 1 404.014 1.970 40 0 HDABMN O=S(=O)(N1CC[C@@H](c2cc(COc3ccc(F)cc3)n[nH]2)C1)N1CCOCC1 ZINC000019704597 569347656 /nfs/dbraw/zinc/34/76/56/569347656.db2.gz PWFZVMDVWLYTLC-CQSZACIVSA-N 0 1 410.471 1.494 40 0 HDABMN CC(C)(O)c1cn(C[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C(=O)NCc2ccc(F)cc2)nn1 ZINC000008298733 291191695 /nfs/dbraw/zinc/19/16/95/291191695.db2.gz MXOMAJDLHYNSIJ-JQHSSLGASA-N 0 1 401.486 1.671 40 0 biogenic,in-vitro HDABMN O=C(NCc1cccnc1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008254220 291200236 /nfs/dbraw/zinc/20/02/36/291200236.db2.gz QPMAXURLHQNUSJ-QRVBRYPASA-N 0 1 403.490 1.762 40 0 biogenic,in-vitro HDABMN CCN1CCN([C@H](c2nnnn2C[C@@H]2CCCO2)c2ccc(OC)c(OC)c2)CC1 ZINC000020140810 521695958 /nfs/dbraw/zinc/69/59/58/521695958.db2.gz WODYGAGZGMCNDH-PXNSSMCTSA-N 0 1 416.526 1.596 40 0 HDABMN CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(N[C@H]2CCC(N)=O)c2ccc(C)c(C)c2NC1=O ZINC000009042973 557820139 /nfs/dbraw/zinc/82/01/39/557820139.db2.gz HJRBTQGLJOGHMF-KLMMPHRKSA-N 0 1 412.490 1.089 40 0 HDABMN COc1ccc(CN2CCc3nc([C@H]4CCN(S(C)(=O)=O)C4)[nH]c(=O)c3C2)cc1 ZINC000019555575 558918513 /nfs/dbraw/zinc/91/85/13/558918513.db2.gz DUPIXVLEBCZCQM-HNNXBMFYSA-N 0 1 418.519 1.498 40 0 HDABMN COc1ccccc1CNC(=O)[C@@H]1CN(C)C[C@]12COc1ccc(F)cc1C(=O)N2 ZINC000072334477 558935597 /nfs/dbraw/zinc/93/55/97/558935597.db2.gz CPRRRRQWJIYQBK-JTSKRJEESA-N 0 1 413.449 1.573 40 0 HDABMN Cc1nc(CC(=O)N2CCC[C@H](c3cc(C(=O)N4CCOCC4)[nH]n3)C2)cs1 ZINC000072380628 558968477 /nfs/dbraw/zinc/96/84/77/558968477.db2.gz OQCMSLGEFZHEOG-AWEZNQCLSA-N 0 1 403.508 1.596 40 0 HDABMN Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)N4CCCC4)CC3)n[nH]2)cc1 ZINC000019718304 558981609 /nfs/dbraw/zinc/98/16/09/558981609.db2.gz SNTAQYMBDNGMDH-UHFFFAOYSA-N 0 1 403.508 1.484 40 0 HDABMN CC(C)CN1[C@H]2CCN(C(=O)CN(C)C)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145777 559097546 /nfs/dbraw/zinc/09/75/46/559097546.db2.gz WEDPWLJYDZFKDM-IRXDYDNUSA-N 0 1 409.552 1.647 40 0 HDABMN COCCNC(=O)c1ccc2nnc([C@H]3CN(Cc4ccccc4)CCN3C)n2c1 ZINC000096156622 559100562 /nfs/dbraw/zinc/10/05/62/559100562.db2.gz ORVNXICNFVUAGK-LJQANCHMSA-N 0 1 408.506 1.594 40 0 HDABMN CCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNCc3cnccc3C(F)(F)F)[C@@H](O)[C@H]2O1 ZINC000604381176 568489108 /nfs/dbraw/zinc/48/91/08/568489108.db2.gz DVSROVNBJZOYKZ-UUWMRLDISA-N 0 1 417.428 1.392 40 0 biogenic,in-vitro HDABMN COc1cccc(C(=O)N2C[C@@H]3COCCN3C3(CN(C4CCOCC4)C3)C2)c1 ZINC000604382045 568489389 /nfs/dbraw/zinc/48/93/89/568489389.db2.gz AURCOABKUZMKKB-LJQANCHMSA-N 0 1 401.507 1.085 40 0 biogenic,in-vitro HDABMN Cc1nnc(SCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)[nH]1 ZINC000222538813 568517683 /nfs/dbraw/zinc/51/76/83/568517683.db2.gz USDWKMUYZXOWHQ-AWEZNQCLSA-N 0 1 409.537 1.422 40 0 HDABMN CCC(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3ccc(OC)cc3)no2)s1 ZINC000225576609 568653333 /nfs/dbraw/zinc/65/33/33/568653333.db2.gz GCSYGVCYLDGCFA-UHFFFAOYSA-N 0 1 424.464 1.424 40 0 HDABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCCN2CCc3ccccc32)s1 ZINC000225621218 568657703 /nfs/dbraw/zinc/65/77/03/568657703.db2.gz WIMBICJJMMULFA-UHFFFAOYSA-N 0 1 409.537 1.864 40 0 HDABMN CCC(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccccc2-n2cc[nH+]c2C)s1 ZINC000225656261 568660712 /nfs/dbraw/zinc/66/07/12/568660712.db2.gz XYTBIXQRWKXMGX-UHFFFAOYSA-N 0 1 406.493 1.859 40 0 HDABMN O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1)c1ncccn1 ZINC000257225533 568783514 /nfs/dbraw/zinc/78/35/14/568783514.db2.gz FGQDJSDGFBQLFH-TXTKFYIRSA-N 0 1 410.518 1.780 40 0 HDABMN O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCC(O)CC1)c1cccc(F)c1 ZINC000257250912 568790479 /nfs/dbraw/zinc/79/04/79/568790479.db2.gz JONQBPFORZEZAJ-CZYKHXBRSA-N 0 1 414.477 1.962 40 0 HDABMN O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCC[C@](O)(CN2CCOCC2)CC1 ZINC000257334660 568814485 /nfs/dbraw/zinc/81/44/85/568814485.db2.gz YGWKXGXYYVJHOS-OAQYLSRUSA-N 0 1 402.470 1.905 40 0 HDABMN COc1cccc(CN2CC[C@@]3(C2)Cn2c(nn(C4CCCC4)c(=O)c2=O)CO3)c1 ZINC000306141261 568902872 /nfs/dbraw/zinc/90/28/72/568902872.db2.gz VQEYLVOHKZGDAR-JOCHJYFZSA-N 0 1 412.490 1.704 40 0 HDABMN COC(=O)[C@](O)(c1ccc(N2C(=O)C3=CCC=C[C@@H]3C2=O)c(OC)c1)C(F)(F)F ZINC000101622921 569014340 /nfs/dbraw/zinc/01/43/40/569014340.db2.gz CWSJIUNCBPTRRM-FTLABTOESA-N 0 1 411.332 1.850 40 0 HDABMN Cc1nc(N2CCOCC2)nc(C)c1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000224304150 569057046 /nfs/dbraw/zinc/05/70/46/569057046.db2.gz SBZWFCDSKVGHOF-UHFFFAOYSA-N 0 1 406.464 1.502 40 0 HDABMN COc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)c(C)c1 ZINC000224322417 569057332 /nfs/dbraw/zinc/05/73/32/569057332.db2.gz CYQXBSLEHPNNQW-UHFFFAOYSA-N 0 1 412.494 1.984 40 0 HDABMN CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC000019694756 569346667 /nfs/dbraw/zinc/34/66/67/569346667.db2.gz ZOJNATOTYMWJOF-GOSISDBHSA-N 0 1 422.533 1.720 40 0 HDABMN O=C(c1ccn[nH]1)N1CCO[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 ZINC000019759189 558275680 /nfs/dbraw/zinc/27/56/80/558275680.db2.gz OTXZUNCCVYCXQA-FQEVSTJZSA-N 0 1 421.457 1.644 40 0 HDABMN O=C(C[C@@H]1C(=O)NCCN1C1CCCC1)NCCCc1nc2cc(F)ccc2[nH]1 ZINC000019346125 558873399 /nfs/dbraw/zinc/87/33/99/558873399.db2.gz GWPQJVRPMOODOZ-GOSISDBHSA-N 0 1 401.486 1.884 40 0 HDABMN COc1ncc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C(C)C)CC3)cn1 ZINC000019448194 558887049 /nfs/dbraw/zinc/88/70/49/558887049.db2.gz DXZGIZNCDAZNTI-KRWDZBQOSA-N 0 1 412.494 1.702 40 0 HDABMN COc1ncc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C(C)C)CC3)cn1 ZINC000019448194 558887050 /nfs/dbraw/zinc/88/70/50/558887050.db2.gz DXZGIZNCDAZNTI-KRWDZBQOSA-N 0 1 412.494 1.702 40 0 HDABMN COc1cc(CN2C[C@H](CO)[C@@]3(C2)Cc2ccccc2C(=O)N3)cc(OC)c1OC ZINC000019549902 558914613 /nfs/dbraw/zinc/91/46/13/558914613.db2.gz BBHAUQNLAJWFFK-HXOBKFHXSA-N 0 1 412.486 1.861 40 0 HDABMN CNc1cc([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)nc(CN(C)C(C)=O)n1 ZINC000072370160 558956401 /nfs/dbraw/zinc/95/64/01/558956401.db2.gz NVACKDMTYZOTGN-GOSISDBHSA-N 0 1 416.570 1.935 40 0 HDABMN CS(=O)(=O)N1CCC[C@H](c2ccc(C(=O)N3CCN(C4CCCC4)CC3)cn2)C1 ZINC000019706069 558968750 /nfs/dbraw/zinc/96/87/50/558968750.db2.gz LINWOEAIPYAJID-SFHVURJKSA-N 0 1 420.579 1.921 40 0 HDABMN Cc1noc(C)c1CC(=O)N1CCCC[C@H]1c1cc(C(=O)N2CCOCC2)[nH]n1 ZINC000072380681 558968775 /nfs/dbraw/zinc/96/87/75/558968775.db2.gz YKDRMUMIFZQBFP-SFHVURJKSA-N 0 1 401.467 1.783 40 0 HDABMN CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(C[C@H](O)CN1CCN(Cc3ccccc3)CC1)C2=O ZINC000022465645 558996233 /nfs/dbraw/zinc/99/62/33/558996233.db2.gz KJKAHKQPGIOZFJ-REHUZNOOSA-N 0 1 413.562 1.976 40 0 HDABMN COc1ccc(CN2C[C@H]3CCN(C(=O)c4ccn[nH]4)CC[C@H]3S2(=O)=O)cc1 ZINC000096145402 559097288 /nfs/dbraw/zinc/09/72/88/559097288.db2.gz DGLSVNRPZCUNAU-CRAIPNDOSA-N 0 1 404.492 1.485 40 0 HDABMN CN(Cc1ccccn1)C(=O)c1ccc2c(c1)[C@H](c1nc[nH]n1)CN2S(C)(=O)=O ZINC000096156433 559100473 /nfs/dbraw/zinc/10/04/73/559100473.db2.gz OOWZSQBYMYBJQU-MRXNPFEDSA-N 0 1 412.475 1.383 40 0 HDABMN O=C(NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1)c1ncccn1 ZINC000257225532 559283676 /nfs/dbraw/zinc/28/36/76/559283676.db2.gz FGQDJSDGFBQLFH-SXWKCWPCSA-N 0 1 410.518 1.780 40 0 HDABMN COc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000004411410 560606875 /nfs/dbraw/zinc/60/68/75/560606875.db2.gz ZFKFEQWHDQAKFU-UHFFFAOYSA-N 0 1 412.489 1.517 40 0 HDABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(-n3ccnc3)cc2)s1 ZINC000223168594 568539951 /nfs/dbraw/zinc/53/99/51/568539951.db2.gz NLDULSYUWVMUTH-UHFFFAOYSA-N 0 1 406.493 1.797 40 0 HDABMN COc1ccc(CCCNS(=O)(=O)c2nnc(NC(C)=O)s2)cc1OC ZINC000223259983 568543029 /nfs/dbraw/zinc/54/30/29/568543029.db2.gz QEJIQGYVUXIQCB-UHFFFAOYSA-N 0 1 400.482 1.425 40 0 HDABMN COC(=O)C1C(CNCCN2CCOCC2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000020518266 568625761 /nfs/dbraw/zinc/62/57/61/568625761.db2.gz RWYNAKYGBYMEGR-IBGZPJMESA-N 0 1 402.495 1.006 40 0 HDABMN Cc1nnc(SCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)[nH]1 ZINC000226076855 568693028 /nfs/dbraw/zinc/69/30/28/568693028.db2.gz VDVZWHWJYNLITQ-OAHLLOKOSA-N 0 1 423.564 1.731 40 0 HDABMN Cc1nnc(SCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)[nH]1 ZINC000226076866 568693037 /nfs/dbraw/zinc/69/30/37/568693037.db2.gz VDVZWHWJYNLITQ-HNNXBMFYSA-N 0 1 423.564 1.731 40 0 HDABMN Cn1nc(C(=O)N2CCCC[C@@H]2c2[nH]ncc2C(=O)N2CCCCCC2)ccc1=O ZINC000257223013 568782972 /nfs/dbraw/zinc/78/29/72/568782972.db2.gz DVNAJEPEEVETPN-QGZVFWFLSA-N 0 1 412.494 1.887 40 0 HDABMN COC1CCN([C@@H]2[C@@H](O)[C@H](Oc3cccnc3)C[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000257228342 568784498 /nfs/dbraw/zinc/78/44/98/568784498.db2.gz FTLKPSCFVIXZJY-YRXWBPOGSA-N 0 1 407.511 1.966 40 0 HDABMN CC(=O)N1CCN(C[C@]2(O)CCCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC2)CC1 ZINC000257257650 568792295 /nfs/dbraw/zinc/79/22/95/568792295.db2.gz KQNXNJXCLVYUEF-QFIPXVFZSA-N 0 1 416.497 1.828 40 0 HDABMN O=C(NC[C@@]1(O)COCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1)c1ccccn1 ZINC000257261880 568793334 /nfs/dbraw/zinc/79/33/34/568793334.db2.gz LJEJXGBGJORNCY-QFIPXVFZSA-N 0 1 421.457 1.105 40 0 HDABMN O=C(Cn1cccn1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 ZINC000257283807 568799572 /nfs/dbraw/zinc/79/95/72/568799572.db2.gz OZYFEODGNGUYCU-MQSCRBSSSA-N 0 1 412.534 1.573 40 0 HDABMN CS(=O)(=O)NCC(=O)N1CCC[C@H]1c1cc(CCOc2cccc(F)c2)[nH]n1 ZINC000257341526 568816366 /nfs/dbraw/zinc/81/63/66/568816366.db2.gz ZKSFBNIPGKOZGA-KRWDZBQOSA-N 0 1 410.471 1.383 40 0 HDABMN O=c1c(=O)n(C2CCCC2)nc2n1C[C@]1(CCN(Cc3ccc(F)cc3)C1)OC2 ZINC000306138590 568900299 /nfs/dbraw/zinc/90/02/99/568900299.db2.gz SBDONEGEIIUEKD-OAQYLSRUSA-N 0 1 400.454 1.834 40 0 HDABMN O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 ZINC000224324870 569057444 /nfs/dbraw/zinc/05/74/44/569057444.db2.gz DDNOFYIRBFXILA-UHFFFAOYSA-N 0 1 423.926 1.478 40 0 HDABMN COC(=O)[C@@](O)(c1ccc(N2C(=O)C3=CCC=C[C@@H]3C2=O)c(OC)c1)C(F)(F)F ZINC000018066374 569383544 /nfs/dbraw/zinc/38/35/44/569383544.db2.gz CWSJIUNCBPTRRM-IUUKEHGRSA-N 0 1 411.332 1.850 40 0 HDABMN O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncc(O)cn2)CC1 ZINC000065742834 571317984 /nfs/dbraw/zinc/31/79/84/571317984.db2.gz WKAUDMPUKWYRBF-UHFFFAOYSA-N 0 1 401.511 1.794 40 0 world HDABMN O=c1ccc(=O)n(-c2ccccc2)n1CCCCN1CCN(c2ncccn2)CC1 ZINC000003851409 132269011 /nfs/dbraw/zinc/26/90/11/132269011.db2.gz QOTWHDDSOMQLJW-UHFFFAOYSA-N 0 1 406.490 1.392 40 0 HDABMN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C)N[C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000035375153 557530689 /nfs/dbraw/zinc/53/06/89/557530689.db2.gz USHOXFDLHHVRMJ-FGXLMGHOSA-N 0 1 406.280 1.988 40 0 HDABMN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccccc1 ZINC000007505201 557744347 /nfs/dbraw/zinc/74/43/47/557744347.db2.gz HBIBVYRCUMTPCH-UHFFFAOYSA-N 0 1 412.489 1.517 40 0 HDABMN COC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@H]1c1ccccc1 ZINC000019818050 558288137 /nfs/dbraw/zinc/28/81/37/558288137.db2.gz QVSSKRUVPGNMGC-OALUTQOASA-N 0 1 410.449 1.964 40 0 HDABMN COC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@@H]1c1ccccc1 ZINC000019818057 558288177 /nfs/dbraw/zinc/28/81/77/558288177.db2.gz RNHTXODSGBJUGF-WOJBJXKFSA-N 0 1 422.485 1.834 40 0 HDABMN O=C(C[C@@H]1C(=O)NCCN1C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000019293571 558865279 /nfs/dbraw/zinc/86/52/79/558865279.db2.gz PBPZWIMERRCVMQ-LJQANCHMSA-N 0 1 416.497 1.243 40 0 HDABMN O=C(c1ccn[nH]1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)c1cccs1)CC2 ZINC000019342812 558872135 /nfs/dbraw/zinc/87/21/35/558872135.db2.gz BHVLPOHREICTPE-OAHLLOKOSA-N 0 1 424.486 1.730 40 0 HDABMN COc1ncc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C(C)C)CC3)cn1 ZINC000019448192 558887207 /nfs/dbraw/zinc/88/72/07/558887207.db2.gz DXZGIZNCDAZNTI-QGZVFWFLSA-N 0 1 412.494 1.702 40 0 HDABMN COc1ncc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C(C)C)CC3)cn1 ZINC000019448192 558887209 /nfs/dbraw/zinc/88/72/09/558887209.db2.gz DXZGIZNCDAZNTI-QGZVFWFLSA-N 0 1 412.494 1.702 40 0 HDABMN C[C@@H]1CN(CC(=O)NCCn2nc(-c3ccccc3F)cc2CN(C)C)C[C@H](C)O1 ZINC000019497459 558896421 /nfs/dbraw/zinc/89/64/21/558896421.db2.gz OWUSTDYIANUGPL-CALCHBBNSA-N 0 1 417.529 1.976 40 0 HDABMN Cn1c(SCCO)nnc1[C@@H]1CCCN(Cc2ccnc(N3CCCC3)n2)C1 ZINC000072348136 558945256 /nfs/dbraw/zinc/94/52/56/558945256.db2.gz SYRMOAMRZLULST-OAHLLOKOSA-N 0 1 403.556 1.669 40 0 HDABMN O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2)C[C@](O)(Cn2cncn2)C1 ZINC000072354433 558951784 /nfs/dbraw/zinc/95/17/84/558951784.db2.gz PRTRQWJLXQHOFU-JOCHJYFZSA-N 0 1 409.465 1.807 40 0 HDABMN CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)C(=O)CN(C)C)n1 ZINC000019700838 558967054 /nfs/dbraw/zinc/96/70/54/558967054.db2.gz AGBWVUHQTABHON-CQSZACIVSA-N 0 1 414.485 1.698 40 0 HDABMN O=C(c1cc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n[nH]1)N1CCOCC1 ZINC000072380658 558968593 /nfs/dbraw/zinc/96/85/93/558968593.db2.gz UJLNQNJVYMORMG-AWEZNQCLSA-N 0 1 422.482 1.590 40 0 HDABMN CC(C)(C)OC(=O)N1CCn2c(nnc2[C@@H]2CCCN2C(=O)CN2CCCC2)C1 ZINC000019707461 558969952 /nfs/dbraw/zinc/96/99/52/558969952.db2.gz LOJDZDBHXNPION-HNNXBMFYSA-N 0 1 404.515 1.788 40 0 HDABMN CC(C)(C)OC(=O)N1CCn2c(nnc2[C@H]2CCCN2C(=O)CN2CCCC2)C1 ZINC000019707463 558969966 /nfs/dbraw/zinc/96/99/66/558969966.db2.gz LOJDZDBHXNPION-OAHLLOKOSA-N 0 1 404.515 1.788 40 0 HDABMN O=C(NCc1ccon1)[C@H]1C[C@]2(CO1)CN(Cc1ncc(C(F)(F)F)[nH]1)CCO2 ZINC000585102194 559024794 /nfs/dbraw/zinc/02/47/94/559024794.db2.gz OBDURRJSVBULNK-MLGOLLRUSA-N 0 1 415.372 1.093 40 0 HDABMN CCN1CC[C@]2(CN(c3ncccn3)CC23CCN(Cc2cnn(C)c2)CC3)C1=O ZINC000096036438 559090157 /nfs/dbraw/zinc/09/01/57/559090157.db2.gz OOFRCPWQYGLOJH-QFIPXVFZSA-N 0 1 409.538 1.551 40 0 HDABMN CCN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(Cc2ccsc2)CC3)C1=O ZINC000096036528 559090270 /nfs/dbraw/zinc/09/02/70/559090270.db2.gz FSTAZXBGAZBXLA-IBGZPJMESA-N 0 1 411.593 1.844 40 0 HDABMN CN1CCN(c2ncnc3c2c(C(=O)NCc2ccncc2)c2ccccn23)CC1 ZINC000096146735 559098044 /nfs/dbraw/zinc/09/80/44/559098044.db2.gz XKRBVLQPEXBYHW-UHFFFAOYSA-N 0 1 401.474 1.959 40 0 HDABMN CN(C)CC(=O)N1CCN(c2ccc3ccc(C(=O)NCc4cccnc4)cn32)CC1 ZINC000096156009 559100123 /nfs/dbraw/zinc/10/01/23/559100123.db2.gz BDPSHFJWFZHENG-UHFFFAOYSA-N 0 1 420.517 1.475 40 0 HDABMN CN(CCO)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1cccc(F)c1 ZINC000585262299 559110747 /nfs/dbraw/zinc/11/07/47/559110747.db2.gz KETNJMNPHCCNFK-ZRNYENFQSA-N 0 1 406.429 1.568 40 0 HDABMN COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3cccc(F)c3)[C@H](N(C)CCO)[C@H]2O)c1 ZINC000585262308 559110775 /nfs/dbraw/zinc/11/07/75/559110775.db2.gz RPFNYTSYCZFYPV-CGXNFDGLSA-N 0 1 418.465 1.438 40 0 HDABMN Cn1cnc(C(=O)NC[C@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCOCC3)CC2)c1 ZINC000257207303 559282473 /nfs/dbraw/zinc/28/24/73/559282473.db2.gz BHDQGXJBDWPVEA-QNWVGRARSA-N 0 1 412.534 1.724 40 0 HDABMN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(Cc2ccc(OCCCO)cc2)C[C@H]1O ZINC000257309563 559286163 /nfs/dbraw/zinc/28/61/63/559286163.db2.gz UBKODYYRHKFPOH-BHIYHBOVSA-N 0 1 410.511 1.269 40 0 HDABMN O=C(NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1)c1cnccn1 ZINC000257311237 559286245 /nfs/dbraw/zinc/28/62/45/559286245.db2.gz UIPLNIOMJZSWSK-QNWVGRARSA-N 0 1 410.518 1.780 40 0 HDABMN O=C(C[n+]1ncn2nc(C(F)(F)F)cc([O-])c21)c1ccc(Br)cc1 ZINC000409333333 560710700 /nfs/dbraw/zinc/71/07/00/560710700.db2.gz OLTMICGFRYKMQA-UHFFFAOYSA-O 0 1 402.150 1.974 40 0 HDABMN COC(=O)C1C(CNCCN2CCOCC2)=NC(=O)N[C@@H]1c1ccc(C)cc1C ZINC000019364858 560872754 /nfs/dbraw/zinc/87/27/54/560872754.db2.gz OJQXGYHCFYJSLP-LJQANCHMSA-N 0 1 402.495 1.006 40 0 HDABMN O=C(Nc1ccccc1)N1C[C@@H]2COCCN2C2(CN(CC3CCOCC3)C2)C1 ZINC000604382014 568489440 /nfs/dbraw/zinc/48/94/40/568489440.db2.gz YYCXVTRMLXLGIL-HXUWFJFHSA-N 0 1 400.523 1.716 40 0 biogenic,in-vitro HDABMN O=c1[nH]c2ccc(S(=O)(=O)NCCSc3nc(-c4ccccc4)n[nH]3)cc2o1 ZINC000223027102 568534671 /nfs/dbraw/zinc/53/46/71/568534671.db2.gz QRCLXHDBERCKQT-UHFFFAOYSA-N 0 1 417.472 1.977 40 0 HDABMN CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c1 ZINC000223788652 568559130 /nfs/dbraw/zinc/55/91/30/568559130.db2.gz GAJXVEHBJZUDFY-UHFFFAOYSA-N 0 1 407.448 1.823 40 0 HDABMN COc1ccc(OCCNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 ZINC000225159472 568619124 /nfs/dbraw/zinc/61/91/24/568619124.db2.gz UDXXERZUPYPQNU-UHFFFAOYSA-N 0 1 414.509 1.889 40 0 HDABMN Cc1nnc(SCCNC(=O)C[C@H](NS(C)(=O)=O)c2ccc(F)cc2)[nH]1 ZINC000225943297 568688005 /nfs/dbraw/zinc/68/80/05/568688005.db2.gz URDBMFHXRMZZNA-ZDUSSCGKSA-N 0 1 401.489 1.141 40 0 HDABMN CN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC000257243721 568788559 /nfs/dbraw/zinc/78/85/59/568788559.db2.gz IIGMDHIKIAUQJO-MSOLQXFVSA-N 0 1 423.517 1.866 40 0 HDABMN CNc1nc([C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)nc2c1CN(C(C)=O)CC2 ZINC000257283935 568799610 /nfs/dbraw/zinc/79/96/10/568799610.db2.gz PANMVQMDZQSORR-KRWDZBQOSA-N 0 1 414.554 1.471 40 0 HDABMN O=C(CCCC(=O)N1CCC[C@@](O)(CN2CCOCC2)CC1)Nc1ccccn1 ZINC000257340290 568816146 /nfs/dbraw/zinc/81/61/46/568816146.db2.gz ZFJPNYFJGCKEDP-NRFANRHFSA-N 0 1 404.511 1.266 40 0 HDABMN COc1ccc(CN2CC[C@@]3(C2)Cn2c(nn(C4CCCC4)c(=O)c2=O)CO3)cc1 ZINC000306123839 568886971 /nfs/dbraw/zinc/88/69/71/568886971.db2.gz AYEFGOVENSETJX-JOCHJYFZSA-N 0 1 412.490 1.704 40 0 HDABMN CCN1C(=O)C2C(=O)N(CC(=O)OC)C(c3ccccc3)(c3ccccc3)[C@@H]2C1=O ZINC000005952507 569329164 /nfs/dbraw/zinc/32/91/64/569329164.db2.gz KCLZTWWJKJLXFW-MOPGFXCFSA-N 0 1 406.438 1.567 40 0 HDABMN C[C@H]1Cc2cc([C@@H](O)CN3CCN(c4ccccn4)CC3)ccc2N1S(C)(=O)=O ZINC000019497874 569345586 /nfs/dbraw/zinc/34/55/86/569345586.db2.gz ICRDMIHVVGYUPH-JXFKEZNVSA-N 0 1 416.547 1.648 40 0 HDABMN CCN(CC)C(=O)CN1CC[C@H](c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)C1 ZINC000019694738 569346682 /nfs/dbraw/zinc/34/66/82/569346682.db2.gz YVPPODXJNBHCHI-SFHVURJKSA-N 0 1 424.549 1.966 40 0 HDABMN CN(CCc1ccccc1)[C@H]1[C@@H](CNC(=O)c2cccc(F)c2)O[C@@H](CO)[C@H]1O ZINC000020465761 575368692 /nfs/dbraw/zinc/36/86/92/575368692.db2.gz QXOJFNSDSOETHX-IVAOSVALSA-N 0 1 402.466 1.219 40 0 biogenic,in-vitro HDABMN CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(N[C@H]2C)C(=O)Nc2ccc(Br)cc21 ZINC000009041591 557820062 /nfs/dbraw/zinc/82/00/62/557820062.db2.gz BQBWRMQNBHJNQQ-IPZDNRMISA-N 0 1 406.280 1.990 40 0 HDABMN COC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)c3ccco3)CC2)N[C@H]1c1ccccc1 ZINC000010157533 557856693 /nfs/dbraw/zinc/85/66/93/557856693.db2.gz OGKOVXMAWDAPES-SJORKVTESA-N 0 1 410.430 1.054 40 0 HDABMN COCCn1c2nc([C@H]3CCCN(Cc4ccccn4)C3)ccc2c(=O)n(C)c1=O ZINC000019743071 558263529 /nfs/dbraw/zinc/26/35/29/558263529.db2.gz HVRLZUXCISDJRU-INIZCTEOSA-N 0 1 409.490 1.516 40 0 HDABMN CCN(CC)Cc1c(C)onc1C(=O)N1CCC(Cc2ncncc2C(N)=O)CC1 ZINC000019756835 558274554 /nfs/dbraw/zinc/27/45/54/558274554.db2.gz CTDKQCXYQQQHIR-UHFFFAOYSA-N 0 1 414.510 1.809 40 0 HDABMN CC(=O)N1CCCN(C(=O)[C@@H]2CN(C)C[C@]23COc2ccc(F)cc2C3=O)CC1 ZINC000019017628 558837280 /nfs/dbraw/zinc/83/72/80/558837280.db2.gz YKMNMFCPXYTMIN-UWJYYQICSA-N 0 1 403.454 1.030 40 0 HDABMN CCS(=O)(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[n-]2)C[N@H+](C(C)C)CC4)C1 ZINC000019520305 558901307 /nfs/dbraw/zinc/90/13/07/558901307.db2.gz QFKWEVPUPMAWFD-CQSZACIVSA-N 0 1 407.540 1.731 40 0 HDABMN CNc1nc([C@@H]2CCCCN2S(=O)(=O)c2c(C)noc2C)nc2c1CNCC2 ZINC000019710347 558972417 /nfs/dbraw/zinc/97/24/17/558972417.db2.gz BMGUFDYDWWUIPY-HNNXBMFYSA-N 0 1 406.512 1.685 40 0 HDABMN O=C(NCc1ccon1)[C@@H]1C[C@@]2(CO1)CN(Cc1ncc(C(F)(F)F)[nH]1)CCO2 ZINC000585102193 559024731 /nfs/dbraw/zinc/02/47/31/559024731.db2.gz OBDURRJSVBULNK-LRDDRELGSA-N 0 1 415.372 1.093 40 0 HDABMN CS(=O)(=O)N1C[C@@H](c2nc[nH]n2)c2cc(C(=O)NCc3ccc(F)cc3)ccc21 ZINC000096156440 559100449 /nfs/dbraw/zinc/10/04/49/559100449.db2.gz ARUOKUNAONNZFV-MRXNPFEDSA-N 0 1 415.450 1.785 40 0 HDABMN CN(C)CC(=O)N1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC1CC1)C2 ZINC000096263544 559107219 /nfs/dbraw/zinc/10/72/19/559107219.db2.gz QUQOVARDRQNMHP-UHFFFAOYSA-N 0 1 421.563 1.650 40 0 HDABMN CN(CCO)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1ccccc1F ZINC000585262307 559110733 /nfs/dbraw/zinc/11/07/33/559110733.db2.gz RJMQYLHPNYLYTO-ZRNYENFQSA-N 0 1 406.429 1.568 40 0 HDABMN O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCC(O)CC1)c1ccc(F)cc1 ZINC000585262384 559110956 /nfs/dbraw/zinc/11/09/56/559110956.db2.gz IEGIQALDFNKNFZ-CZYKHXBRSA-N 0 1 414.477 1.962 40 0 HDABMN Cn1nnnc1SCc1cc(O)c2c(=O)n(-c3nc4ccccc4s3)nc-2[nH]1 ZINC000014607069 560846840 /nfs/dbraw/zinc/84/68/40/560846840.db2.gz WVWFBHKTXILSCM-UHFFFAOYSA-N 0 1 412.460 1.433 40 0 HDABMN CS(=O)(=O)N1CCC[C@@H](C(=O)NCCSc2nc(-c3ccccc3)n[nH]2)C1 ZINC000222557463 568518247 /nfs/dbraw/zinc/51/82/47/568518247.db2.gz UIDRGYOIVNJPFE-CQSZACIVSA-N 0 1 409.537 1.352 40 0 HDABMN CC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)s1 ZINC000223084275 568536901 /nfs/dbraw/zinc/53/69/01/568536901.db2.gz KUWLATUZNZAEHJ-UHFFFAOYSA-N 0 1 409.493 1.097 40 0 HDABMN CC(=O)Nc1nnc(S(=O)(=O)NCc2ccccc2CN2CCCC2=O)s1 ZINC000223543903 568551269 /nfs/dbraw/zinc/55/12/69/568551269.db2.gz LCNNYTAFKOJPRR-UHFFFAOYSA-N 0 1 409.493 1.097 40 0 HDABMN Cc1nnc(SCCNC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)[nH]1 ZINC000226037545 568691718 /nfs/dbraw/zinc/69/17/18/568691718.db2.gz SMMSOZXVUFNLBE-UHFFFAOYSA-N 0 1 411.553 1.567 40 0 HDABMN CC(=O)O[C@@H]1CO[C@H](NC(=S)Oc2ccccc2)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000222353748 568750766 /nfs/dbraw/zinc/75/07/66/568750766.db2.gz NVMIWRCOWFDARZ-QZWWFDLISA-N 0 1 411.432 1.091 40 0 HDABMN COC1CCN([C@@H]2[C@@H](O)[C@H](Oc3cccnc3)C[C@H]2NC(=O)c2ccccc2)CC1 ZINC000257216354 568780829 /nfs/dbraw/zinc/78/08/29/568780829.db2.gz CUEMGEFFPHSVOE-CZYKHXBRSA-N 0 1 411.502 1.872 40 0 HDABMN CCN(CC)S(=O)(=O)N1CCO[C@H](c2cc(CCOc3ccccc3)[nH]n2)C1 ZINC000257222235 568782791 /nfs/dbraw/zinc/78/27/91/568782791.db2.gz DSMPDGFFUMSIFV-IBGZPJMESA-N 0 1 408.524 1.991 40 0 HDABMN CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CN(C(=O)CN4CCCC4)CCO3)c2)cn1 ZINC000257250238 568790294 /nfs/dbraw/zinc/79/02/94/568790294.db2.gz JLRWCOMJCAOSDK-OAQYLSRUSA-N 0 1 423.517 1.807 40 0 HDABMN CN(Cc1ccc(F)cc1)[C@H]1CN(CC(=O)N2CC(=O)Nc3ccccc32)C[C@@H]1O ZINC000257271503 568795981 /nfs/dbraw/zinc/79/59/81/568795981.db2.gz MYPJRBRGXZCWQO-PMACEKPBSA-N 0 1 412.465 1.288 40 0 HDABMN Cc1cc2nc(CCC(=O)N3C[C@@H](O)[C@H](n4cnc5c4ncnc5N)C3)[nH]c2c(C)c1 ZINC000257292464 568802269 /nfs/dbraw/zinc/80/22/69/568802269.db2.gz QLOLANVSQUXMOJ-HUUCEWRRSA-N 0 1 420.477 1.279 40 0 HDABMN Nc1ncnc2c1ncn2[C@@H]1CN(C(=O)CCCc2nc3ccc(F)cc3[nH]2)C[C@H]1O ZINC000257297521 568803786 /nfs/dbraw/zinc/80/37/86/568803786.db2.gz RHPZORZMBZUJPX-HUUCEWRRSA-N 0 1 424.440 1.191 40 0 HDABMN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]ncc3C(=O)N(C)C)C2)cc1 ZINC000257324040 568811613 /nfs/dbraw/zinc/81/16/13/568811613.db2.gz WMXIWSDPARGJLT-CQSZACIVSA-N 0 1 419.507 1.638 40 0 HDABMN CC(=O)Nc1ccc(NC(=O)CN2CCC[C@@](C)(C(=O)N3CCOCC3)C2)cc1 ZINC000257332648 568814048 /nfs/dbraw/zinc/81/40/48/568814048.db2.gz XYDHNWCQZUHTMM-OAQYLSRUSA-N 0 1 402.495 1.544 40 0 HDABMN CCN(CC)C(=O)c1cn[nH]c1[C@@H]1CCCCN1S(=O)(=O)c1cnn(C)c1C ZINC000257342239 568816803 /nfs/dbraw/zinc/81/68/03/568816803.db2.gz ZNSWHHZREBTIKV-HNNXBMFYSA-N 0 1 408.528 1.850 40 0 HDABMN C[C@]1(NCCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CCS(=O)(=O)C1 ZINC000575424814 569026763 /nfs/dbraw/zinc/02/67/63/569026763.db2.gz NVJBRACEXAKNTH-ZDUSSCGKSA-N 0 1 401.337 1.439 40 0 HDABMN O=S(=O)(c1cccc(Cl)c1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 ZINC000224326254 569057375 /nfs/dbraw/zinc/05/73/75/569057375.db2.gz TVUYKNQSYRYJJE-UHFFFAOYSA-N 0 1 423.926 1.478 40 0 HDABMN CN(C)c1nc(N2CCCC2)ncc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000224343979 569059430 /nfs/dbraw/zinc/05/94/30/569059430.db2.gz PESMPEVZRBKIFS-UHFFFAOYSA-N 0 1 405.480 1.715 40 0 HDABMN CCN(CC)C(=O)CN1CC[C@@H](c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)C1 ZINC000019694737 569346658 /nfs/dbraw/zinc/34/66/58/569346658.db2.gz YVPPODXJNBHCHI-GOSISDBHSA-N 0 1 424.549 1.966 40 0 HDABMN O=C(NC[C@H]1O[C@H](Cc2cc(CN3CCCCC3)on2)CC[C@@H]1O)N1CCOCC1 ZINC000096269006 291200145 /nfs/dbraw/zinc/20/01/45/291200145.db2.gz RCFKRDYQEFESNM-YSIASYRMSA-N 0 1 422.526 1.153 40 0 biogenic,in-vitro HDABMN O=C(Cn1cc(C(=O)Nc2ccc(F)cc2)ccc1=O)N1CCN2CCCC[C@@H]2C1 ZINC000019751541 558271466 /nfs/dbraw/zinc/27/14/66/558271466.db2.gz LSRVOXBUXHXIRI-LJQANCHMSA-N 0 1 412.465 1.936 40 0 HDABMN CCN1CCN([C@@H](c2nnnn2C[C@@H]2CCCO2)c2ccc(OC)c(OC)c2)CC1 ZINC000020140813 558338951 /nfs/dbraw/zinc/33/89/51/558338951.db2.gz WODYGAGZGMCNDH-FXAWDEMLSA-N 0 1 416.526 1.596 40 0 HDABMN Cc1cnn(CCC(=O)N2CCC[C@@H](C3=Nc4ccccc4S(=O)(=O)N3)C2)c1 ZINC000019239973 558858703 /nfs/dbraw/zinc/85/87/03/558858703.db2.gz JIWTVHPMRAHIPS-OAHLLOKOSA-N 0 1 401.492 1.842 40 0 HDABMN CC(C)N(C(=O)CN1CCC(O)(Cn2cnc3ccccc3c2=O)CC1)C(C)C ZINC000019447575 558886734 /nfs/dbraw/zinc/88/67/34/558886734.db2.gz NOCZHRNETKQFFI-UHFFFAOYSA-N 0 1 400.523 1.869 40 0 HDABMN COc1ccc([N-]S(=O)(=O)c2cn(C)nc2C)cc1NC(=O)C[NH+]1CCCC1 ZINC000057823171 558891136 /nfs/dbraw/zinc/89/11/36/558891136.db2.gz JCYZNSMYRHTQDH-UHFFFAOYSA-N 0 1 407.496 1.572 40 0 HDABMN CCN(CC)CC(=O)Nc1ccccc1C1=NNC(=O)[C@H]2[C@@H](C(=O)NC(C)C)[C@@]12C ZINC000019526336 558907737 /nfs/dbraw/zinc/90/77/37/558907737.db2.gz BLNNOCIJJZMXEQ-NJNPRVFISA-N 0 1 413.522 1.578 40 0 HDABMN COc1ccc(CN2CCc3nc([C@@H]4CCN(S(C)(=O)=O)C4)[nH]c(=O)c3C2)cc1 ZINC000019555572 558918463 /nfs/dbraw/zinc/91/84/63/558918463.db2.gz DUPIXVLEBCZCQM-OAHLLOKOSA-N 0 1 418.519 1.498 40 0 HDABMN O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000036151834 558983652 /nfs/dbraw/zinc/98/36/52/558983652.db2.gz BIFWRLIMBVQLOC-VZKMNXCRSA-N 0 1 417.421 1.847 40 0 HDABMN CCN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(Cc2ccsc2)CC3)C1=O ZINC000096036529 559090257 /nfs/dbraw/zinc/09/02/57/559090257.db2.gz FSTAZXBGAZBXLA-LJQANCHMSA-N 0 1 411.593 1.844 40 0 HDABMN CCN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(Cc2cccs2)CC3)C1=O ZINC000096036524 559090335 /nfs/dbraw/zinc/09/03/35/559090335.db2.gz DRYJJMHCEYTJAL-IBGZPJMESA-N 0 1 411.593 1.844 40 0 HDABMN CCN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(Cc2ccc(F)cc2)CC3)C1=O ZINC000096036538 559090344 /nfs/dbraw/zinc/09/03/44/559090344.db2.gz BWJCBLZVFCFULI-NRFANRHFSA-N 0 1 423.554 1.922 40 0 HDABMN CC(=O)N1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1cnn(C)c1)CC2 ZINC000096036935 559090809 /nfs/dbraw/zinc/09/08/09/559090809.db2.gz CVIQNHGMJXMURQ-UHFFFAOYSA-N 0 1 408.510 1.371 40 0 HDABMN CC(=O)N1CCC(N2CCN(C(C)=O)C[C@](O)(COc3ccc(F)c(C)c3)C2)CC1 ZINC000585283044 559120361 /nfs/dbraw/zinc/12/03/61/559120361.db2.gz OZDUELINVPGURS-JOCHJYFZSA-N 0 1 421.513 1.419 40 0 HDABMN O=C([O-])c1cccc(CN2CC3(C2)CN(Cc2cccnc2)C[C@@H]2C[C@@H](O)C[N@@H+]23)c1 ZINC000514290060 560030779 /nfs/dbraw/zinc/03/07/79/560030779.db2.gz SDLQVKDQJITDHU-LEWJYISDSA-N 0 1 408.502 1.285 40 0 biogenic,in-vitro HDABMN NC(=O)[C@@H]1CCC[N@H+]1CC[C@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@H]1CC(=O)[O-] ZINC000020463026 560093045 /nfs/dbraw/zinc/09/30/45/560093045.db2.gz TUZIWULMNIFUFR-BPUTZDHNSA-N 0 1 422.913 1.628 40 0 biogenic,in-vitro HDABMN CC(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)s1 ZINC000222938998 568531801 /nfs/dbraw/zinc/53/18/01/568531801.db2.gz ZFCYULDFMMTZAX-UHFFFAOYSA-N 0 1 414.856 1.678 40 0 HDABMN CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1 ZINC000223846042 568560709 /nfs/dbraw/zinc/56/07/09/568560709.db2.gz LYASKCJLMSKDCP-UHFFFAOYSA-N 0 1 403.460 1.765 40 0 HDABMN CCCN1c2ccc(C(=O)NCCSc3nnc(C)[nH]3)cc2S(=O)(=O)N=C1C ZINC000225865869 568682016 /nfs/dbraw/zinc/68/20/16/568682016.db2.gz KXYOTTWWILWJTB-UHFFFAOYSA-N 0 1 422.536 1.972 40 0 HDABMN Cc1nnc(SCCNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)[nH]1 ZINC000226020310 568691475 /nfs/dbraw/zinc/69/14/75/568691475.db2.gz LHLFWVNTVZDZPT-UHFFFAOYSA-N 0 1 403.917 1.296 40 0 HDABMN O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1)c1cncnc1 ZINC000257213756 568780281 /nfs/dbraw/zinc/78/02/81/568780281.db2.gz CIZAPEBOEGIUBV-MQSCRBSSSA-N 0 1 410.518 1.780 40 0 HDABMN CN1CCN(C(=O)C[C@]2(COc3ccc(F)cc3)CN(CC3CC3)CCO2)CC1 ZINC000257269441 568795337 /nfs/dbraw/zinc/79/53/37/568795337.db2.gz MPYFRXVTTORMSX-JOCHJYFZSA-N 0 1 405.514 1.850 40 0 HDABMN CCCn1cc(C(=O)N2CCC(c3[nH]ncc3C(=O)N3CCOCC3)CC2)cn1 ZINC000257279434 568798317 /nfs/dbraw/zinc/79/83/17/568798317.db2.gz OGPPLSFWUVHCEI-UHFFFAOYSA-N 0 1 400.483 1.508 40 0 HDABMN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](c3[nH]ncc3C(=O)N(C)C)C2)cc1 ZINC000257324039 568811686 /nfs/dbraw/zinc/81/16/86/568811686.db2.gz WMXIWSDPARGJLT-AWEZNQCLSA-N 0 1 419.507 1.638 40 0 HDABMN O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCC[C@@](O)(CN2CCOCC2)CC1 ZINC000257334659 568814286 /nfs/dbraw/zinc/81/42/86/568814286.db2.gz YGWKXGXYYVJHOS-NRFANRHFSA-N 0 1 402.470 1.905 40 0 HDABMN CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CCN(CC(=O)N3CCC3)C2)n1 ZINC000019695093 569346777 /nfs/dbraw/zinc/34/67/77/569346777.db2.gz AOYWLYVXYPQDNI-KRWDZBQOSA-N 0 1 408.506 1.330 40 0 HDABMN CC(=O)Nc1ccc(CN[C@@H]2CO[C@H](CNC(=O)c3ccc(F)cc3)[C@H]2O)cc1 ZINC000077264420 291190595 /nfs/dbraw/zinc/19/05/95/291190595.db2.gz XCEVCYACNXQUHI-AQNXPRMDSA-N 0 1 401.438 1.432 40 0 biogenic,in-vitro HDABMN C[C@@H]1Cc2cc([C@H](O)CN3CCN(c4ccccn4)CC3)ccc2N1S(C)(=O)=O ZINC000012180984 132355933 /nfs/dbraw/zinc/35/59/33/132355933.db2.gz ICRDMIHVVGYUPH-OXQOHEQNSA-N 0 1 416.547 1.648 40 0 HDABMN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)N[C@]21c2cccc(Cl)c2NC1=O ZINC000035375406 557531668 /nfs/dbraw/zinc/53/16/68/557531668.db2.gz JYXHNNPQVSNEBQ-WABUHGILSA-N 0 1 418.881 1.124 40 0 HDABMN CCN1CCC(N(CCCOC)S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000012187965 558346864 /nfs/dbraw/zinc/34/68/64/558346864.db2.gz IGDWCOMTZPXLKO-UHFFFAOYSA-N 0 1 411.524 1.529 40 0 HDABMN Cc1nc(O)c(C(c2c(O)ccc3ccccc32)C2C(=O)N=C(C)NC2=O)c(=O)[nH]1 ZINC000016363255 558788069 /nfs/dbraw/zinc/78/80/69/558788069.db2.gz AGUOFKBQBVTNJZ-UHFFFAOYSA-N 0 1 406.398 1.920 40 0 HDABMN CNc1nc([C@H]2CCCN(C)C2)nc2c1CN(S(=O)(=O)c1c(C)noc1C)CC2 ZINC000019710326 558972147 /nfs/dbraw/zinc/97/21/47/558972147.db2.gz FCEFHTKSMBBPIR-AWEZNQCLSA-N 0 1 420.539 1.679 40 0 HDABMN CNc1nc([C@@H]2CCCN(C)C2)nc2c1CN(S(=O)(=O)c1c(C)noc1C)CC2 ZINC000019710325 558972228 /nfs/dbraw/zinc/97/22/28/558972228.db2.gz FCEFHTKSMBBPIR-CQSZACIVSA-N 0 1 420.539 1.679 40 0 HDABMN CNc1nc([C@H]2CCCCN2S(=O)(=O)c2c(C)noc2C)nc2c1CNCC2 ZINC000019710348 558972406 /nfs/dbraw/zinc/97/24/06/558972406.db2.gz BMGUFDYDWWUIPY-OAHLLOKOSA-N 0 1 406.512 1.685 40 0 HDABMN COc1ccc(CCN2C[C@H]3CCN(C(=O)c4ccn[nH]4)CC[C@H]3S2(=O)=O)cc1 ZINC000096145522 559097418 /nfs/dbraw/zinc/09/74/18/559097418.db2.gz ULWOTWVBNYLGNL-VQIMIIECSA-N 0 1 418.519 1.527 40 0 HDABMN O=C(CNC(=O)c1ccccc1)NC[C@H]1CC[C@H](C(=O)NCCc2cnc[nH]2)CC1 ZINC000101442584 560728801 /nfs/dbraw/zinc/72/88/01/560728801.db2.gz QIIIERFXPQPNPZ-MAEOIBBWSA-N 0 1 411.506 1.421 40 0 HDABMN CCC(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccc(-n3cc[nH+]c3C)cc2)s1 ZINC000222868546 568529074 /nfs/dbraw/zinc/52/90/74/568529074.db2.gz BWNDUVGZJISWQY-UHFFFAOYSA-N 0 1 406.493 1.859 40 0 HDABMN CCC(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3cccs3)no2)s1 ZINC000223150990 568539564 /nfs/dbraw/zinc/53/95/64/568539564.db2.gz NDSCBILRDOKMPA-UHFFFAOYSA-N 0 1 400.467 1.477 40 0 HDABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3cccs3)no2)s1 ZINC000223548473 568551467 /nfs/dbraw/zinc/55/14/67/568551467.db2.gz MHZVQSPDTHPSGN-UHFFFAOYSA-N 0 1 414.494 1.723 40 0 HDABMN CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000223789231 568559288 /nfs/dbraw/zinc/55/92/88/568559288.db2.gz ORSGFTMAFRRPDI-UHFFFAOYSA-N 0 1 403.460 1.982 40 0 HDABMN Cc1nnc(SCCNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)[nH]1 ZINC000226072272 568692871 /nfs/dbraw/zinc/69/28/71/568692871.db2.gz GIXAEZXESKZSRN-UHFFFAOYSA-N 0 1 423.564 1.731 40 0 HDABMN O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1)c1ccncn1 ZINC000257249869 568790384 /nfs/dbraw/zinc/79/03/84/568790384.db2.gz JKBQTMQLRHARJG-MQSCRBSSSA-N 0 1 410.518 1.780 40 0 HDABMN CCN(CC)C(=O)c1cn[nH]c1[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1 ZINC000257293167 568802406 /nfs/dbraw/zinc/80/24/06/568802406.db2.gz QOKCQYNZOKWMKZ-CQSZACIVSA-N 0 1 408.528 1.502 40 0 HDABMN Cn1c2nccc([C@@H]3CCCN(C(=O)[C@@H](N)c4ccccc4)C3)c2c(=O)n(C)c1=O ZINC000257311687 568807697 /nfs/dbraw/zinc/80/76/97/568807697.db2.gz UKPZJCWKDXQGQE-QAPCUYQASA-N 0 1 407.474 1.038 40 0 HDABMN COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ccc(C)nc3)[C@H](N(C)CCO)[C@H]2O)c1 ZINC000257333831 568814228 /nfs/dbraw/zinc/81/42/28/568814228.db2.gz YDGDHNYCYWCBNP-CGXNFDGLSA-N 0 1 415.490 1.002 40 0 HDABMN O=C(CCCC(=O)N1CCC[C@](O)(CN2CCOCC2)CC1)Nc1ccccn1 ZINC000257340291 568816187 /nfs/dbraw/zinc/81/61/87/568816187.db2.gz ZFJPNYFJGCKEDP-OAQYLSRUSA-N 0 1 404.511 1.266 40 0 HDABMN O=C(C1=NO[C@]2(C1)CN(C(=O)C1CC1)CC[C@H]2NCc1ccccc1)N1CCCC1 ZINC000306127695 568890454 /nfs/dbraw/zinc/89/04/54/568890454.db2.gz GFCHZTHOPFYYDB-NFBKMPQASA-N 0 1 410.518 1.925 40 0 HDABMN O=C(NCc1cccnc1)[C@@H]1CN(CC2CC2)C[C@@]2(CCN(C(=O)C3CCC3)C2)O1 ZINC000306127494 568890462 /nfs/dbraw/zinc/89/04/62/568890462.db2.gz FZYHSISUSURUTN-NZQKXSOJSA-N 0 1 412.534 1.580 40 0 HDABMN CN1C[C@@H](C(=O)NCc2cccs2)OC2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000306130497 568892962 /nfs/dbraw/zinc/89/29/62/568892962.db2.gz JIIYCXLTKMWWJR-KRWDZBQOSA-N 0 1 403.504 1.963 40 0 HDABMN COc1ncccc1CN1C[C@@H]2Cn3c(nn(Cc4ccc(C)cc4)c(=O)c3=O)[C@@H]2C1 ZINC000306137044 568898932 /nfs/dbraw/zinc/89/89/32/568898932.db2.gz QJZVRTKEZVTWBV-RTBURBONSA-N 0 1 419.485 1.395 40 0 HDABMN COc1ncccc1CN1C[C@@H]2Cn3c(nn(Cc4ccc(C)cc4)c(=O)c3=O)[C@H]2C1 ZINC000306137041 568899012 /nfs/dbraw/zinc/89/90/12/568899012.db2.gz QJZVRTKEZVTWBV-MOPGFXCFSA-N 0 1 419.485 1.395 40 0 HDABMN CC(C)c1nc(N[C@@H](C)CO)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1 ZINC000328972156 568970753 /nfs/dbraw/zinc/97/07/53/568970753.db2.gz DUKWWFBYGNOOQI-ZDUSSCGKSA-N 0 1 405.524 1.603 40 0 HDABMN Cc1cccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)c1 ZINC000224324051 569057428 /nfs/dbraw/zinc/05/74/28/569057428.db2.gz XCLPWXSOUATMNI-UHFFFAOYSA-N 0 1 403.508 1.133 40 0 HDABMN O=C(Nc1ccc(F)cc1F)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 ZINC000224332146 569058598 /nfs/dbraw/zinc/05/85/98/569058598.db2.gz GVBLMVQXHCBJTG-UHFFFAOYSA-N 0 1 404.421 1.946 40 0 HDABMN CC(C)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)NCCCc2nc4ccc(F)cc4[nH]2)[C@@H]3C1=O ZINC000019447740 569345370 /nfs/dbraw/zinc/34/53/70/569345370.db2.gz JBNCMHHBTDEROA-WGQQHEPDSA-N 0 1 412.465 1.941 40 0 HDABMN C[NH+](C)CCCNc1nc(NNc2ccc(S(=O)(=O)[O-])cc2)cc(C2CC2)n1 ZINC000328982238 571304524 /nfs/dbraw/zinc/30/45/24/571304524.db2.gz GYZHVJYJZZAYFM-UHFFFAOYSA-N 0 1 406.512 2.403 40 0 HDABMN COc1ccccc1-c1cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNS(C)(=O)=O)n(C)n1 ZINC000012602002 291197313 /nfs/dbraw/zinc/19/73/13/291197313.db2.gz FHAWSXRGCUKILQ-UXLLHSPISA-N 0 1 404.536 1.823 40 0 biogenic,in-vitro HDABMN COc1ccccc1-c1cc([C@H]2CN3CC[C@H]2C[C@@H]3CNS(C)(=O)=O)n(C)n1 ZINC000012602002 291197314 /nfs/dbraw/zinc/19/73/14/291197314.db2.gz FHAWSXRGCUKILQ-UXLLHSPISA-N 0 1 404.536 1.823 40 0 biogenic,in-vitro HDABMN O=C([C@H]1O[C@H](CCN2CCOCC2)CC[C@@H]1O)N1CCN(c2ccc(F)cc2)CC1 ZINC000096296000 291201200 /nfs/dbraw/zinc/20/12/00/291201200.db2.gz WJNZDIWSQJHPGK-ACRUOGEOSA-N 0 1 421.513 1.105 40 0 biogenic,in-vitro HDABMN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000005089651 132300433 /nfs/dbraw/zinc/30/04/33/132300433.db2.gz JIQWHCQTQHTHSU-UHFFFAOYSA-N 0 1 402.520 1.941 40 0 HDABMN COCCn1c2nc([C@@H]3CCCN(Cc4ccccn4)C3)ccc2c(=O)n(C)c1=O ZINC000019743069 558263535 /nfs/dbraw/zinc/26/35/35/558263535.db2.gz HVRLZUXCISDJRU-MRXNPFEDSA-N 0 1 409.490 1.516 40 0 HDABMN Cc1cc(CN(C)C(=O)c2ccc(=O)n(CC(=O)N3CCc4ccccc43)c2)n[nH]1 ZINC000019749359 558268682 /nfs/dbraw/zinc/26/86/82/558268682.db2.gz FIBCCKVGSBIHDV-UHFFFAOYSA-N 0 1 405.458 1.741 40 0 HDABMN Cc1nc([C@@H]2CCCCN2C(=O)CN2CCCC2)ncc1C(=O)N1CCOCC1 ZINC000019751893 558271746 /nfs/dbraw/zinc/27/17/46/558271746.db2.gz JRBYMUFJEAZDEU-SFHVURJKSA-N 0 1 401.511 1.407 40 0 HDABMN Cn1cc(C(=O)NCc2ccccn2)c(CC2CCN(CC(=O)N3CCC3)CC2)n1 ZINC000019756608 558274524 /nfs/dbraw/zinc/27/45/24/558274524.db2.gz MTILHQJGPZUKKM-UHFFFAOYSA-N 0 1 410.522 1.232 40 0 HDABMN CCN1CCN(CC(=O)Nc2ccc([C@H]3NC(=O)c4cccnc4N3C)cc2)CC1 ZINC000019528161 558909148 /nfs/dbraw/zinc/90/91/48/558909148.db2.gz GWDLYIDIJIRXDG-FQEVSTJZSA-N 0 1 408.506 1.536 40 0 HDABMN CN(CCc1ccncc1)C(=O)CN1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019586281 558939462 /nfs/dbraw/zinc/93/94/62/558939462.db2.gz QYWYLUGZQOIIDR-LJQANCHMSA-N 0 1 409.534 1.855 40 0 HDABMN CN1CCC(NS(=O)(=O)c2ccc3c(c2)C[C@H](NC(=O)c2ccccc2)C3)CC1 ZINC000072345767 558942306 /nfs/dbraw/zinc/94/23/06/558942306.db2.gz WNIXWEFECFKQAP-HXUWFJFHSA-N 0 1 413.543 1.956 40 0 HDABMN CNc1nc([C@H]2CCCCN2C(=O)CN2CCCC2)nc2c1CN(C(C)=O)CC2 ZINC000019710263 558972063 /nfs/dbraw/zinc/97/20/63/558972063.db2.gz LERHOVRGTFZQRH-GOSISDBHSA-N 0 1 400.527 1.572 40 0 HDABMN CN(C)S(=O)(=O)NCC(=O)N1CCC[C@@H](Cc2nc3ccc(Cl)cc3[nH]2)C1 ZINC000019716794 558979027 /nfs/dbraw/zinc/97/90/27/558979027.db2.gz NJXSRLBORQWOBS-LBPRGKRZSA-N 0 1 413.931 1.393 40 0 HDABMN Cn1nc(C(=O)N2CCC[C@@]3(C2)COCCN(Cc2c[nH]nn2)C3)c2ccccc21 ZINC000096076442 559094594 /nfs/dbraw/zinc/09/45/94/559094594.db2.gz IYXOBIGLSLZYMJ-OAQYLSRUSA-N 0 1 409.494 1.446 40 0 HDABMN O=C(c1cnn(-c2ccccc2)c1)N1CCC[C@]2(C1)COCCN(Cc1c[nH]nn1)C2 ZINC000096076443 559094632 /nfs/dbraw/zinc/09/46/32/559094632.db2.gz OHDDORSAHSSSEL-QFIPXVFZSA-N 0 1 421.505 1.745 40 0 HDABMN CN(C)CCN1[C@@]2(CCN(C(=O)NC3CCCC3)C2)c2ccccc2S1(=O)=O ZINC000096143082 559095741 /nfs/dbraw/zinc/09/57/41/559095741.db2.gz FPDRVPPIALVWSM-HXUWFJFHSA-N 0 1 406.552 1.806 40 0 HDABMN CN1CCCN(C(=O)c2nc(-c3cn(-c4ncccn4)cn3)n3ccccc23)CC1 ZINC000096155076 559099358 /nfs/dbraw/zinc/09/93/58/559099358.db2.gz YFEVDRMCBWRUAJ-UHFFFAOYSA-N 0 1 402.462 1.755 40 0 HDABMN CN1CCN(c2nc3ccccc3n3nc(C(=O)NCCc4ccncc4)nc23)CC1 ZINC000096264232 559107479 /nfs/dbraw/zinc/10/74/79/559107479.db2.gz MWAGYCANZILIRX-UHFFFAOYSA-N 0 1 416.489 1.397 40 0 HDABMN COCCN1CCN(c2ccc3ccc(C(=O)NCc4cnc(C)cn4)cn32)CC1 ZINC000096267348 559108064 /nfs/dbraw/zinc/10/80/64/559108064.db2.gz SDDFNDLKEHJBIP-UHFFFAOYSA-N 0 1 408.506 1.736 40 0 HDABMN NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)c2[nH]nc3ccccc32)CCO1 ZINC000585284693 559121249 /nfs/dbraw/zinc/12/12/49/559121249.db2.gz VIJHFEYUWMMHMH-NRFANRHFSA-N 0 1 412.421 1.868 40 0 HDABMN CN1CCN(CC(C)(C)CNC(=O)[C@@H]2[C@H]3C(=O)Nc4ccccc4C(=O)[C@]23C)CC1 ZINC000100217330 559132051 /nfs/dbraw/zinc/13/20/51/559132051.db2.gz ZGXLLZCZEVILQJ-IUKKYPGJSA-N 0 1 412.534 1.464 40 0 HDABMN O=C([O-])c1cccc(CN2CC3(C2)C[N@H+](CCc2ccccc2)C[C@@H]2C[C@@H](O)CN23)c1 ZINC000514290163 560030302 /nfs/dbraw/zinc/03/03/02/560030302.db2.gz URJGXPLDBOYCCM-XZOQPEGZSA-N 0 1 421.541 1.933 40 0 biogenic,in-vitro HDABMN NC(=O)[C@@H]1CCC[N@H+]1CC[C@H]1CN(C(=O)Nc2ccccc2)CC[C@H]1CC(=O)[O-] ZINC000020463038 560092997 /nfs/dbraw/zinc/09/29/97/560092997.db2.gz IIPWTUBJGAIVTP-BQFCYCMXSA-N 0 1 402.495 1.971 40 0 biogenic,in-vitro HDABMN O=C(c1ccc(Cl)cc1)N1C[C@@H]2COCCN2C2(CN(Cc3cnc[nH]3)C2)C1 ZINC000604382005 568489407 /nfs/dbraw/zinc/48/94/07/568489407.db2.gz YMYHWURGQMNOSB-GOSISDBHSA-N 0 1 401.898 1.474 40 0 biogenic,in-vitro HDABMN COc1ccccc1OC[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 ZINC000224754999 568595368 /nfs/dbraw/zinc/59/53/68/568595368.db2.gz ALLHMFXVVKUYQT-LLVKDONJSA-N 0 1 414.509 1.887 40 0 HDABMN Cc1c(S(=O)(=O)N2CCC[C@@H](c3[nH]ncc3C(=O)N3CCCC3)C2)cnn1C ZINC000257208171 568778565 /nfs/dbraw/zinc/77/85/65/568778565.db2.gz BLAREQCGKUTKGY-CQSZACIVSA-N 0 1 406.512 1.256 40 0 HDABMN NC(=O)C[C@H]1CN(C(=O)c2ccn[nH]2)CC[C@@H]1Oc1cccc(Br)c1 ZINC000257248327 568789642 /nfs/dbraw/zinc/78/96/42/568789642.db2.gz JDDKLCCDZHLYAZ-NHYWBVRUSA-N 0 1 407.268 1.957 40 0 HDABMN CC(=O)NCC(=O)N1CC[C@H](c2[nH]ncc2-c2ccnc(NCC3=CCCOC3)c2)C1 ZINC000257301136 568804625 /nfs/dbraw/zinc/80/46/25/568804625.db2.gz RXDFHJPOHPDAER-SFHVURJKSA-N 0 1 424.505 1.682 40 0 HDABMN COc1ncccc1CN1C[C@H]2Cn3c(nn(Cc4ccc(C)cc4)c(=O)c3=O)[C@@H]2C1 ZINC000306137043 568898904 /nfs/dbraw/zinc/89/89/04/568898904.db2.gz QJZVRTKEZVTWBV-RBUKOAKNSA-N 0 1 419.485 1.395 40 0 HDABMN Cn1cc(C(=O)N2CC[C@H](c3ccc4c(n[nH]c4NC4CCOCC4)n3)C2)ccc1=O ZINC000019705155 569347859 /nfs/dbraw/zinc/34/78/59/569347859.db2.gz HQORMKYQOBLHBT-AWEZNQCLSA-N 0 1 422.489 1.877 40 0 HDABMN CN(Cc1ccccc1)[C@H]1[C@@H](CNC(=O)c2ccc(F)c(Cl)c2)O[C@@H](CO)[C@H]1O ZINC000030879657 291193410 /nfs/dbraw/zinc/19/34/10/291193410.db2.gz CDJMGIPDLLPMDF-FUMNGEBKSA-N 0 1 422.884 1.830 40 0 biogenic,in-vitro HDABMN O=C1[C@@H]2C[C@@H](O)CN2C2(CN(C3CCCC3)C2)C(=O)N1Cc1cccc(Cl)c1 ZINC000225440343 291201545 /nfs/dbraw/zinc/20/15/45/291201545.db2.gz YUCWTONRTLTXRN-MSOLQXFVSA-N 0 1 403.910 1.641 40 0 biogenic,in-vitro HDABMN CCc1nc2nc3ccn(-c4n[nH]c(COC)n4)c(=O)c3c(-c3ccccc3)n2n1 ZINC000040372836 522535182 /nfs/dbraw/zinc/53/51/82/522535182.db2.gz IWSUWJKXLKPEKV-UHFFFAOYSA-N 0 1 402.418 1.922 40 0 HDABMN CCc1nc2nc3ccn(-c4nnc(COC)[nH]4)c(=O)c3c(-c3ccccc3)n2n1 ZINC000040372836 522535192 /nfs/dbraw/zinc/53/51/92/522535192.db2.gz IWSUWJKXLKPEKV-UHFFFAOYSA-N 0 1 402.418 1.922 40 0 HDABMN COC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@H]1c1ccccc1 ZINC000019818049 523944080 /nfs/dbraw/zinc/94/40/80/523944080.db2.gz QVSSKRUVPGNMGC-MOPGFXCFSA-N 0 1 410.449 1.964 40 0 HDABMN O=C(OCc1ccccc1)[C@@]12SCCN1C(=O)C2N1C(=O)c2ccccc2C1=O ZINC000001710567 557282268 /nfs/dbraw/zinc/28/22/68/557282268.db2.gz NVRCDVLPCQPRIE-HRAATJIYSA-N 0 1 408.435 1.680 40 0 HDABMN COCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)OC)ccc1C ZINC000408600801 557521284 /nfs/dbraw/zinc/52/12/84/557521284.db2.gz CMRXXTNICNUCAZ-UHFFFAOYSA-N 0 1 406.460 1.959 40 0 HDABMN O=C(Cn1cc(C(=O)NCc2ccccc2)ccc1=O)N1CCN2CCCC[C@@H]2C1 ZINC000019751534 558271511 /nfs/dbraw/zinc/27/15/11/558271511.db2.gz BRLZTLSAHPJGNV-HXUWFJFHSA-N 0 1 408.502 1.475 40 0 HDABMN COC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@H]1c1ccccc1 ZINC000019818063 558288433 /nfs/dbraw/zinc/28/84/33/558288433.db2.gz LTDYMLDOVRRWEI-UXHICEINSA-N 0 1 422.485 1.834 40 0 HDABMN Cc1ccc([C@@H]2CN(CC(=O)N3CCC(C(N)=O)CC3)C[C@H]2c2csnn2)cc1 ZINC000019211960 558848795 /nfs/dbraw/zinc/84/87/95/558848795.db2.gz SKQQFUOXCBQXSN-ZWKOTPCHSA-N 0 1 413.547 1.753 40 0 HDABMN CN(C)CC(=O)N1CCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@@H+](C1CCCC1)CC3 ZINC000019581763 558937098 /nfs/dbraw/zinc/93/70/98/558937098.db2.gz GWAFQYUCKBTXDP-LJQANCHMSA-N 0 1 412.538 1.961 40 0 HDABMN CN(C)CC(=O)N1CCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@H+](C1CCCC1)CC3 ZINC000019581763 558937100 /nfs/dbraw/zinc/93/71/00/558937100.db2.gz GWAFQYUCKBTXDP-LJQANCHMSA-N 0 1 412.538 1.961 40 0 HDABMN CN(C)CC(=O)N1CCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@@H+](C1CCCC1)CC3 ZINC000019581766 558937105 /nfs/dbraw/zinc/93/71/05/558937105.db2.gz GWAFQYUCKBTXDP-IBGZPJMESA-N 0 1 412.538 1.961 40 0 HDABMN CN(C)CC(=O)N1CCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@H+](C1CCCC1)CC3 ZINC000019581766 558937108 /nfs/dbraw/zinc/93/71/08/558937108.db2.gz GWAFQYUCKBTXDP-IBGZPJMESA-N 0 1 412.538 1.961 40 0 HDABMN COCCOc1cccc(C[N@@H+]2CCc3nc(-c4cnccn4)[n-]c(=O)c3CC2)c1 ZINC000019593811 558944975 /nfs/dbraw/zinc/94/49/75/558944975.db2.gz XJKJMJUYNHNJDJ-UHFFFAOYSA-N 0 1 407.474 1.853 40 0 HDABMN COCCOc1cccc(C[N@H+]2CCc3nc(-c4cnccn4)[n-]c(=O)c3CC2)c1 ZINC000019593811 558944976 /nfs/dbraw/zinc/94/49/76/558944976.db2.gz XJKJMJUYNHNJDJ-UHFFFAOYSA-N 0 1 407.474 1.853 40 0 HDABMN O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2)C[C@@](O)(Cn2cncn2)C1 ZINC000072354432 558951748 /nfs/dbraw/zinc/95/17/48/558951748.db2.gz PRTRQWJLXQHOFU-QFIPXVFZSA-N 0 1 409.465 1.807 40 0 HDABMN Cc1cc(C(=O)NC[C@H](c2cccc(Cl)c2)N(C)C)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019662630 558953579 /nfs/dbraw/zinc/95/35/79/558953579.db2.gz UBCWEFVXKGVPIZ-OAHLLOKOSA-N 0 1 415.881 1.616 40 0 HDABMN Cc1cc(C(=O)NC[C@@H](c2cccc(Cl)c2)N(C)C)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019662628 558953642 /nfs/dbraw/zinc/95/36/42/558953642.db2.gz UBCWEFVXKGVPIZ-HNNXBMFYSA-N 0 1 415.881 1.616 40 0 HDABMN O=C(CN1CCCC1)N1CCO[C@@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1 ZINC000019695593 558964126 /nfs/dbraw/zinc/96/41/26/558964126.db2.gz AEBVKTGVUKPEGO-XMMPIXPASA-N 0 1 422.529 1.634 40 0 HDABMN CN(C)CCN1[C@H]2CCN(C(=O)C3CCC3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145928 559097669 /nfs/dbraw/zinc/09/76/69/559097669.db2.gz HGNGMQXJITWGIU-ROUUACIJSA-N 0 1 421.563 1.791 40 0 HDABMN COCCN(C)C(=O)c1ccc2nnc([C@H]3CN(CC4CC4)CCN3C(C)C)n2c1 ZINC000096156806 559100690 /nfs/dbraw/zinc/10/06/90/559100690.db2.gz NCEDVUYBPNLQTN-LJQANCHMSA-N 0 1 414.554 1.925 40 0 HDABMN CCS(=O)(=O)N1CCC(C(=O)NCCSc2nc(-c3ccccc3)n[nH]2)CC1 ZINC000222611230 568520586 /nfs/dbraw/zinc/52/05/86/568520586.db2.gz FWAWRBXIHTTZQV-UHFFFAOYSA-N 0 1 423.564 1.742 40 0 HDABMN CN1CCN(c2ccc(NC(=O)CN(Cc3ccccc3)S(C)(=O)=O)cc2)CC1 ZINC000223860768 568561154 /nfs/dbraw/zinc/56/11/54/568561154.db2.gz JFXUUMJTLKJRFX-UHFFFAOYSA-N 0 1 416.547 1.839 40 0 HDABMN COc1ccccc1OC[C@H](C)NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 ZINC000224755041 568595374 /nfs/dbraw/zinc/59/53/74/568595374.db2.gz ALLHMFXVVKUYQT-NSHDSACASA-N 0 1 414.509 1.887 40 0 HDABMN CC(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)no2)s1 ZINC000225397798 568634055 /nfs/dbraw/zinc/63/40/55/568634055.db2.gz ZRGJUIWNMSTZJY-UHFFFAOYSA-N 0 1 414.856 1.678 40 0 HDABMN CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)COc2ccc(OC)cc2)s1 ZINC000225849709 568680471 /nfs/dbraw/zinc/68/04/71/568680471.db2.gz SPKWOOCARZXSHU-SNVBAGLBSA-N 0 1 400.482 1.641 40 0 HDABMN C[C@@H]1CN(c2ncc3c(n2)[C@]2(CCN(Cc4ccc(CO)o4)C2)COC3)C[C@H](C)O1 ZINC000253604061 568755022 /nfs/dbraw/zinc/75/50/22/568755022.db2.gz QAGKQZHCTZIBJR-DMPWYTOCSA-N 0 1 414.506 1.849 40 0 HDABMN Cc1ncccc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N(C)CCO ZINC000257204134 568777351 /nfs/dbraw/zinc/77/73/51/568777351.db2.gz ATDQQDQJICZZSU-ZRNYENFQSA-N 0 1 403.454 1.132 40 0 HDABMN CCN(CC)C(=O)c1cn[nH]c1[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1 ZINC000257293166 568802429 /nfs/dbraw/zinc/80/24/29/568802429.db2.gz QOKCQYNZOKWMKZ-AWEZNQCLSA-N 0 1 408.528 1.502 40 0 HDABMN Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc(N4CCN(C)CC4)cc3)C2)ncn1 ZINC000257301466 568804758 /nfs/dbraw/zinc/80/47/58/568804758.db2.gz RYNPKJNGSUJHNB-QHCPKHFHSA-N 0 1 424.549 1.250 40 0 HDABMN CN1C[C@H](C(=O)N2CCC(c3[nH]ncc3C(=O)N3CCCCCC3)CC2)CC1=O ZINC000257308497 568806972 /nfs/dbraw/zinc/80/69/72/568806972.db2.gz TWXPZKGPFJUVKL-MRXNPFEDSA-N 0 1 401.511 1.610 40 0 HDABMN O=C(c1cn[nH]c1[C@@H]1CCCN(C(=O)[C@@H]2OCCc3ccccc32)C1)N1CCOCC1 ZINC000257316815 568809375 /nfs/dbraw/zinc/80/93/75/568809375.db2.gz VHDDZAHHRPUYMY-DYESRHJHSA-N 0 1 424.501 1.902 40 0 HDABMN O=C(C1=NO[C@@]2(C1)CN(C(=O)C1CC1)CC[C@@H]2NCc1ccccc1)N1CCCC1 ZINC000306127698 568890509 /nfs/dbraw/zinc/89/05/09/568890509.db2.gz GFCHZTHOPFYYDB-REWPJTCUSA-N 0 1 410.518 1.925 40 0 HDABMN CN(C)CC(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)(n2cccn2)CC1 ZINC000306134731 568896678 /nfs/dbraw/zinc/89/66/78/568896678.db2.gz NWJUCSIRSGZGBR-UHFFFAOYSA-N 0 1 424.549 1.111 40 0 HDABMN O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@]1(CCN(Cc3ccco3)C1)C2 ZINC000306135995 568898035 /nfs/dbraw/zinc/89/80/35/568898035.db2.gz PGEPFIOWCYAHFP-NRFANRHFSA-N 0 1 400.479 1.753 40 0 HDABMN CN1Cc2nnc(C(=O)NC3CCCCC3)n2C[C@]12CCN(Cc1ccccn1)C2 ZINC000306141163 568902759 /nfs/dbraw/zinc/90/27/59/568902759.db2.gz VMWKGSCUHHXPTC-JOCHJYFZSA-N 0 1 409.538 1.826 40 0 HDABMN O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 ZINC000224332960 569058567 /nfs/dbraw/zinc/05/85/67/569058567.db2.gz RTYOHXVHRQLXBJ-UHFFFAOYSA-N 0 1 423.926 1.478 40 0 HDABMN COc1ccc(S(=O)(=O)Nc2cnc(N3CCCC3)nc2N(C)C)cc1OC ZINC000224343070 569059446 /nfs/dbraw/zinc/05/94/46/569059446.db2.gz YGBFZDNJYUUHFG-UHFFFAOYSA-N 0 1 407.496 1.961 40 0 HDABMN CC(C)c1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(N[C@@H](C)CO)n1 ZINC000329061821 571306439 /nfs/dbraw/zinc/30/64/39/571306439.db2.gz WULJCTKZXLGXMS-ZDUSSCGKSA-N 0 1 405.524 1.603 40 0 HDABMN COc1ccc(CN2C[C@@H]3CN(C(=O)N4CCOCC4)CCN3C(C)(C)C2)cc1 ZINC000253407129 291196520 /nfs/dbraw/zinc/19/65/20/291196520.db2.gz VPPZMJKREPQQKZ-LJQANCHMSA-N 0 1 402.539 1.728 40 0 biogenic,in-vitro HDABMN O=C(Cn1cc(C(=O)NCc2ccccc2)ccc1=O)N1CCN2CCCC[C@H]2C1 ZINC000019751537 558271540 /nfs/dbraw/zinc/27/15/40/558271540.db2.gz BRLZTLSAHPJGNV-FQEVSTJZSA-N 0 1 408.502 1.475 40 0 HDABMN CCN1CCN([C@@H](c2nnnn2C[C@H]2CCCO2)c2ccc(OC)c(OC)c2)CC1 ZINC000020140819 558338897 /nfs/dbraw/zinc/33/88/97/558338897.db2.gz WODYGAGZGMCNDH-YLJYHZDGSA-N 0 1 416.526 1.596 40 0 HDABMN O=C(C[C@H]1C(=O)NCCN1C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000019293570 558865348 /nfs/dbraw/zinc/86/53/48/558865348.db2.gz PBPZWIMERRCVMQ-IBGZPJMESA-N 0 1 416.497 1.243 40 0 HDABMN COCc1ccc(OC)c(C[N@@H+]2CCc3nc(-c4cnccn4)[n-]c(=O)c3CC2)c1 ZINC000019594368 558945401 /nfs/dbraw/zinc/94/54/01/558945401.db2.gz JYXSKQYAUPFOBT-UHFFFAOYSA-N 0 1 407.474 1.983 40 0 HDABMN COCc1ccc(OC)c(C[N@H+]2CCc3nc(-c4cnccn4)[n-]c(=O)c3CC2)c1 ZINC000019594368 558945404 /nfs/dbraw/zinc/94/54/04/558945404.db2.gz JYXSKQYAUPFOBT-UHFFFAOYSA-N 0 1 407.474 1.983 40 0 HDABMN Cc1cc(-c2cnn(C)c2)cc([C@H]2CCN(CC(=O)N3CCC(C(N)=O)CC3)C2)n1 ZINC000072374658 558962469 /nfs/dbraw/zinc/96/24/69/558962469.db2.gz ODZAONYQRWUBSS-KRWDZBQOSA-N 0 1 410.522 1.304 40 0 HDABMN O=C(c1cc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n[nH]1)N1CCOCC1 ZINC000072380659 558968600 /nfs/dbraw/zinc/96/86/00/558968600.db2.gz UJLNQNJVYMORMG-CQSZACIVSA-N 0 1 422.482 1.590 40 0 HDABMN COCC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N(C)Cc1ccccc1 ZINC000585262449 559111024 /nfs/dbraw/zinc/11/10/24/559111024.db2.gz PFUIPCRIFUDUGK-WKDRNLAYSA-N 0 1 402.466 1.970 40 0 HDABMN O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CN2CCC(c3ccncc3)CC2)C1 ZINC000585291518 559123828 /nfs/dbraw/zinc/12/38/28/559123828.db2.gz RCUBPEPXESQTEN-RTWAWAEBSA-N 0 1 417.531 1.058 40 0 HDABMN O=C([O-])c1cccc(CN2C[C@H]3C[C@@H](O)C[N@@H+]3C3(CN(CCc4ccccc4)C3)C2)c1 ZINC000514290345 560029879 /nfs/dbraw/zinc/02/98/79/560029879.db2.gz XPNDOAOTFYIVMO-DHIUTWEWSA-N 0 1 421.541 1.933 40 0 biogenic,in-vitro HDABMN O=C([O-])c1cccc(C[N@H+]2C[C@H]3C[C@@H](O)CN3C3(CN(CCc4ccccc4)C3)C2)c1 ZINC000514290345 560029881 /nfs/dbraw/zinc/02/98/81/560029881.db2.gz XPNDOAOTFYIVMO-DHIUTWEWSA-N 0 1 421.541 1.933 40 0 biogenic,in-vitro HDABMN O=C([O-])c1cccc(C[N@@H+]2C[C@H]3C[C@@H](O)CN3C3(CN(CCc4ccccc4)C3)C2)c1 ZINC000514290345 560029883 /nfs/dbraw/zinc/02/98/83/560029883.db2.gz XPNDOAOTFYIVMO-DHIUTWEWSA-N 0 1 421.541 1.933 40 0 biogenic,in-vitro HDABMN O=C([O-])c1cccc(C[N@@H+]2C[C@@H]3C[C@@H](O)CN3C3(CN(Cc4cccnc4)C3)C2)c1 ZINC000514290280 560030075 /nfs/dbraw/zinc/03/00/75/560030075.db2.gz WFNVPVXVHJYFQL-LEWJYISDSA-N 0 1 408.502 1.285 40 0 biogenic,in-vitro HDABMN O=C([O-])c1cccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C3(CN(Cc4cccnc4)C3)C2)c1 ZINC000514290280 560030076 /nfs/dbraw/zinc/03/00/76/560030076.db2.gz WFNVPVXVHJYFQL-LEWJYISDSA-N 0 1 408.502 1.285 40 0 biogenic,in-vitro HDABMN O=C([O-])c1cccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C3(CN(Cc4cccnc4)C3)C2)c1 ZINC000514290280 560030077 /nfs/dbraw/zinc/03/00/77/560030077.db2.gz WFNVPVXVHJYFQL-LEWJYISDSA-N 0 1 408.502 1.285 40 0 biogenic,in-vitro HDABMN COc1ccc(C(=O)N2C[C@@H]3COCCN3C3(CN(CC4CCOCC4)C3)C2)cc1 ZINC000604381928 568489215 /nfs/dbraw/zinc/48/92/15/568489215.db2.gz VSBKAZHXBXWQHW-HXUWFJFHSA-N 0 1 415.534 1.333 40 0 biogenic,in-vitro HDABMN CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(C[C@@H](O)CN1CCN(Cc3ccccc3)CC1)C2=O ZINC000022935448 568500720 /nfs/dbraw/zinc/50/07/20/568500720.db2.gz KJKAHKQPGIOZFJ-ROKPMTFOSA-N 0 1 413.562 1.976 40 0 HDABMN O=C(Nc1nnc(S(=O)(=O)NC[C@@H]2CCCO2)s1)c1ccccc1Cl ZINC000223287732 568544224 /nfs/dbraw/zinc/54/42/24/568544224.db2.gz ZYYJLAYTGAWYAO-VIFPVBQESA-N 0 1 402.885 1.901 40 0 HDABMN C[C@H]1CCC[N@@H+](CCC[N-]S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)C1 ZINC000224683528 568592109 /nfs/dbraw/zinc/59/21/09/568592109.db2.gz GGAKVSMAALRZFG-LBPRGKRZSA-N 0 1 403.574 1.923 40 0 HDABMN Cc1nnc(SCCNC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)[nH]1 ZINC000226043229 568691733 /nfs/dbraw/zinc/69/17/33/568691733.db2.gz DLNQMZUNDAZSPE-UHFFFAOYSA-N 0 1 419.532 1.795 40 0 HDABMN Cc1nnc(SCCNC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)[nH]1 ZINC000226049978 568692227 /nfs/dbraw/zinc/69/22/27/568692227.db2.gz KDMHKTHMTQXBRI-UHFFFAOYSA-N 0 1 417.944 1.437 40 0 HDABMN CCS(=O)(=O)N1CCC[C@H](C(=O)NCCSc2nc(-c3ccccc3)n[nH]2)C1 ZINC000260746577 568737220 /nfs/dbraw/zinc/73/72/20/568737220.db2.gz SRGIFRFULAYVTB-HNNXBMFYSA-N 0 1 423.564 1.742 40 0 HDABMN COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3cnn(C)c3)[C@H](N3CCCCC3)[C@H]2O)c1 ZINC000257259145 568792656 /nfs/dbraw/zinc/79/26/56/568792656.db2.gz KXBMDMKUYCLXPW-CGXNFDGLSA-N 0 1 414.506 1.594 40 0 HDABMN O=C(NC[C@]1(O)COCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1)c1ccccn1 ZINC000257261879 568793324 /nfs/dbraw/zinc/79/33/24/568793324.db2.gz LJEJXGBGJORNCY-JOCHJYFZSA-N 0 1 421.457 1.105 40 0 HDABMN COCCOCC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 ZINC000257291391 568801861 /nfs/dbraw/zinc/80/18/61/568801861.db2.gz QGTHGIHREWTLTN-MQSCRBSSSA-N 0 1 420.550 1.339 40 0 HDABMN Cc1cc(C)nc(NCCCC(=O)N2CCC[C@@](O)(CN3CCOCC3)CC2)n1 ZINC000257293516 568802470 /nfs/dbraw/zinc/80/24/70/568802470.db2.gz QPVJWDBGJANXEE-NRFANRHFSA-N 0 1 405.543 1.361 40 0 HDABMN Cc1cc(C)nc(NCCCC(=O)N2CCC[C@](O)(CN3CCOCC3)CC2)n1 ZINC000257293517 568802675 /nfs/dbraw/zinc/80/26/75/568802675.db2.gz QPVJWDBGJANXEE-OAQYLSRUSA-N 0 1 405.543 1.361 40 0 HDABMN CC(C)(C)OC[C@@H](O)CN1CCN(CCNC(=O)c2ccnc3ncccc23)CC1 ZINC000252507482 569051319 /nfs/dbraw/zinc/05/13/19/569051319.db2.gz WMUAVUNHBVEDED-KRWDZBQOSA-N 0 1 415.538 1.153 40 0 HDABMN CC(C)(C)OC[C@H](O)CN1CCN(CCNC(=O)c2ccnc3ncccc23)CC1 ZINC000252507483 569051365 /nfs/dbraw/zinc/05/13/65/569051365.db2.gz WMUAVUNHBVEDED-QGZVFWFLSA-N 0 1 415.538 1.153 40 0 HDABMN O=C(Cc1ccc(Cl)cc1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 ZINC000224320058 569057161 /nfs/dbraw/zinc/05/71/61/569057161.db2.gz CMDOHYSTEVVDFG-UHFFFAOYSA-N 0 1 401.898 1.858 40 0 HDABMN CC(=O)O[C@@H]1CO[C@H](NC(=S)Oc2ccccc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000017466599 569292408 /nfs/dbraw/zinc/29/24/08/569292408.db2.gz NVMIWRCOWFDARZ-NCOADZHNSA-N 0 1 411.432 1.091 40 0 HDABMN C[C@@H]1Cc2cc([C@@H](O)CN3CCN(c4ccccn4)CC3)ccc2N1S(C)(=O)=O ZINC000019497873 569345531 /nfs/dbraw/zinc/34/55/31/569345531.db2.gz ICRDMIHVVGYUPH-UZLBHIALSA-N 0 1 416.547 1.648 40 0 HDABMN COc1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N(C)Cc2ccccc2)cc1 ZINC000030879668 291196380 /nfs/dbraw/zinc/19/63/80/291196380.db2.gz YUEVRFNKYDXGSW-IVAOSVALSA-N 0 1 400.475 1.046 40 0 biogenic,in-vitro HDABMN COC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1ccccc1 ZINC000019818047 523668955 /nfs/dbraw/zinc/66/89/55/523668955.db2.gz QVSSKRUVPGNMGC-RBUKOAKNSA-N 0 1 410.449 1.964 40 0 HDABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2ccco2)c1 ZINC000408571384 557468903 /nfs/dbraw/zinc/46/89/03/557468903.db2.gz AMRIHIWAFRYZTD-UHFFFAOYSA-N 0 1 402.476 1.945 40 0 HDABMN [NH3+][C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc2ccccc2c1 ZINC000002560996 557730837 /nfs/dbraw/zinc/73/08/37/557730837.db2.gz YLDILTQDSGGAFE-ROUUACIJSA-N 0 1 409.446 1.421 40 0 HDABMN CN(C)C(=O)c1ccc(C2CCN(C(=O)CCN(C)Cc3ccccn3)CC2)nc1N ZINC000019752280 558272056 /nfs/dbraw/zinc/27/20/56/558272056.db2.gz KLKDZHFBORHXSO-UHFFFAOYSA-N 0 1 424.549 1.989 40 0 HDABMN CS(=O)(=O)c1cnc(N2CCCC2)nc1C1CCN(C(=O)c2ccn[nH]2)CC1 ZINC000012087386 558322358 /nfs/dbraw/zinc/32/23/58/558322358.db2.gz MKXIHIHIBLCPKQ-UHFFFAOYSA-N 0 1 404.496 1.223 40 0 HDABMN CN(C)CC(=O)N1CCO[C@@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 ZINC000072352679 558949160 /nfs/dbraw/zinc/94/91/60/558949160.db2.gz ISQDPDLMGUXTTP-HXUWFJFHSA-N 0 1 412.490 1.169 40 0 HDABMN COc1ccccc1OCCc1cc([C@H]2CCN(C(=O)CN3CCOCC3)C2)n[nH]1 ZINC000072371428 558958142 /nfs/dbraw/zinc/95/81/42/558958142.db2.gz GCXMANMKHIEURL-KRWDZBQOSA-N 0 1 414.506 1.688 40 0 HDABMN CCOC(=O)[C@@]12CN(S(C)(=O)=O)C[C@@H]1CN(Cc1ccc(OC)cc1)CCC2 ZINC000096055996 559093718 /nfs/dbraw/zinc/09/37/18/559093718.db2.gz RGXHTUQOUXBURB-PXNSSMCTSA-N 0 1 410.536 1.732 40 0 HDABMN O=C(Nc1ccccc1)[C@H]1Cn2ccnc2C2(CCN(C(=O)c3ccn[nH]3)CC2)O1 ZINC000096144624 559096772 /nfs/dbraw/zinc/09/67/72/559096772.db2.gz QKDSYYWFTWLNEP-QGZVFWFLSA-N 0 1 406.446 1.775 40 0 HDABMN CC(C)CN1CC2(CCN(C(=O)CN(C)C)CC2)COc2ccccc2S1(=O)=O ZINC000096145162 559097109 /nfs/dbraw/zinc/09/71/09/559097109.db2.gz RBVSVCAFRFJRNQ-UHFFFAOYSA-N 0 1 423.579 1.896 40 0 HDABMN CS(=O)(=O)N1C[C@@H](c2nc[nH]n2)c2cc(C(=O)NCc3ccsc3)ccc21 ZINC000096156436 559100486 /nfs/dbraw/zinc/10/04/86/559100486.db2.gz ZFEHFDSJYZRICZ-CQSZACIVSA-N 0 1 403.489 1.708 40 0 HDABMN CN1CCN(C(=O)c2ccc3c(c2)[C@H](c2nc[nH]n2)CN3C(=O)c2ccccc2)CC1 ZINC000096267834 559108371 /nfs/dbraw/zinc/10/83/71/559108371.db2.gz NLAPGAGNQHHGFF-LJQANCHMSA-N 0 1 416.485 1.985 40 0 HDABMN O=C([O-])c1cccc(CN2CC3(C2)CN(Cc2cccnc2)C[C@H]2C[C@@H](O)C[N@@H+]23)c1 ZINC000514290061 560030795 /nfs/dbraw/zinc/03/07/95/560030795.db2.gz SDLQVKDQJITDHU-NHCUHLMSSA-N 0 1 408.502 1.285 40 0 biogenic,in-vitro HDABMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(N[C@H]3C)c3ccccc3NC2=O)cc1 ZINC000004127527 560893106 /nfs/dbraw/zinc/89/31/06/560893106.db2.gz APSOXGPIXXHVNR-LUPKWLHJSA-N 0 1 404.426 1.590 40 0 HDABMN CCC(=O)Nc1nnc(S(=O)(=O)[N-]CCC[N@H+]2CCc3ccccc3C2)s1 ZINC000223037455 568535128 /nfs/dbraw/zinc/53/51/28/568535128.db2.gz IHRBIUUIXUKUKU-UHFFFAOYSA-N 0 1 409.537 1.613 40 0 HDABMN O=C(Nc1nnc(S(=O)(=O)NC[C@H]2CCCO2)s1)c1ccccc1Cl ZINC000223287793 568544275 /nfs/dbraw/zinc/54/42/75/568544275.db2.gz ZYYJLAYTGAWYAO-SECBINFHSA-N 0 1 402.885 1.901 40 0 HDABMN COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 ZINC000223724680 568557508 /nfs/dbraw/zinc/55/75/08/568557508.db2.gz OTLPMGPQPOTGHT-UHFFFAOYSA-N 0 1 418.427 1.936 40 0 HDABMN CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)c1 ZINC000223784255 568558931 /nfs/dbraw/zinc/55/89/31/568558931.db2.gz JMKKSJMODRHOMG-UHFFFAOYSA-N 0 1 407.448 1.224 40 0 HDABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3ccccc3)no2)s1 ZINC000224634135 568589764 /nfs/dbraw/zinc/58/97/64/568589764.db2.gz RBFCTSVFXLDOOG-UHFFFAOYSA-N 0 1 408.465 1.661 40 0 HDABMN Cc1nnc(SCCNC(=O)C[C@H](NS(C)(=O)=O)c2ccc(Cl)cc2)[nH]1 ZINC000225948475 568688280 /nfs/dbraw/zinc/68/82/80/568688280.db2.gz PITPEMFZLKJUQV-ZDUSSCGKSA-N 0 1 417.944 1.655 40 0 HDABMN CS(=O)(=O)N1CCC(C(=O)NCCSc2nc(-c3ccccc3)n[nH]2)CC1 ZINC000226075799 568693096 /nfs/dbraw/zinc/69/30/96/568693096.db2.gz JVOVVGVHLYFZSJ-UHFFFAOYSA-N 0 1 409.537 1.352 40 0 HDABMN C[C@@H]1CN(c2ncc3c(n2)[C@@]2(CCN(Cc4cccnc4N)C2)COC3)C[C@@H](C)O1 ZINC000253603058 568755068 /nfs/dbraw/zinc/75/50/68/568755068.db2.gz IOXVYOVSVKPCPV-XCGNWRKASA-N 0 1 410.522 1.741 40 0 HDABMN Cc1cc2nc(CCC(=O)N3CC[C@H](O)[C@@H](N4CCOCC4)CC3)[nH]c2c(C)c1 ZINC000257285167 568799941 /nfs/dbraw/zinc/79/99/41/568799941.db2.gz PFXUUBBEKZFASN-OALUTQOASA-N 0 1 400.523 1.796 40 0 HDABMN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]ncc3C(=O)N3CCOCC3)C2)cc1 ZINC000257308745 568807043 /nfs/dbraw/zinc/80/70/43/568807043.db2.gz TXYAGMORRRKFLL-MRXNPFEDSA-N 0 1 418.519 1.759 40 0 HDABMN CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC000257327938 568812663 /nfs/dbraw/zinc/81/26/63/568812663.db2.gz XDLIRCBMPBBAAN-GOSISDBHSA-N 0 1 422.533 1.720 40 0 HDABMN CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC000257327939 568812686 /nfs/dbraw/zinc/81/26/86/568812686.db2.gz XDLIRCBMPBBAAN-SFHVURJKSA-N 0 1 422.533 1.720 40 0 HDABMN COc1ncccc1CN1CC[C@]2(Cc3nn(Cc4ccccc4)c(=O)c(=O)n3C2)C1 ZINC000306123704 568886709 /nfs/dbraw/zinc/88/67/09/568886709.db2.gz AUDRJOYFWGFYND-QHCPKHFHSA-N 0 1 419.485 1.305 40 0 HDABMN O=C(NCc1cccnc1)[C@H]1CN(CC2CC2)C[C@]2(CCN(C(=O)C3CCC3)C2)O1 ZINC000306127495 568890583 /nfs/dbraw/zinc/89/05/83/568890583.db2.gz FZYHSISUSURUTN-OFNKIYASSA-N 0 1 412.534 1.580 40 0 HDABMN Cn1ccc(C(=O)N2CCC3(CC2)CN(C)C[C@H](C(=O)NCc2cccs2)O3)n1 ZINC000306137178 568899112 /nfs/dbraw/zinc/89/91/12/568899112.db2.gz QNVAXDJITUINGR-QGZVFWFLSA-N 0 1 417.535 1.103 40 0 HDABMN CCNc1nc(NCCN2CCN(C)CC2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328986090 568971397 /nfs/dbraw/zinc/97/13/97/568971397.db2.gz HWCQSXRTKCHZOP-UHFFFAOYSA-N 0 1 424.471 1.977 40 0 HDABMN Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)cc1C ZINC000224324291 569057398 /nfs/dbraw/zinc/05/73/98/569057398.db2.gz CGSLKCHAOGGHPX-UHFFFAOYSA-N 0 1 417.535 1.441 40 0 HDABMN CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)n1 ZINC000019709606 569348037 /nfs/dbraw/zinc/34/80/37/569348037.db2.gz SZKRJLQXIYMWGM-SFHVURJKSA-N 0 1 416.570 1.935 40 0 HDABMN CS(=O)(=O)c1ccc(CN[C@@H]2CO[C@H](CNC(=O)Nc3ccccc3)[C@H]2O)cc1 ZINC000077265145 291197801 /nfs/dbraw/zinc/19/78/01/291197801.db2.gz LSNPWSIKGFQSCU-QRVBRYPASA-N 0 1 419.503 1.130 40 0 biogenic,in-vitro HDABMN O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000100207755 557271303 /nfs/dbraw/zinc/27/13/03/557271303.db2.gz BIFWRLIMBVQLOC-ALIIGJLFSA-N 0 1 417.421 1.847 40 0 HDABMN COCCn1c2nc([C@@H]3CCCN(Cc4cccnc4)C3)ccc2c(=O)n(C)c1=O ZINC000019743057 558263624 /nfs/dbraw/zinc/26/36/24/558263624.db2.gz YXRMCCKPAJXRCH-QGZVFWFLSA-N 0 1 409.490 1.516 40 0 HDABMN COC(=O)[C@@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@H]1c1ccccc1 ZINC000019818060 558288131 /nfs/dbraw/zinc/28/81/31/558288131.db2.gz RNHTXODSGBJUGF-PMACEKPBSA-N 0 1 422.485 1.834 40 0 HDABMN O=C(CN1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)C1CC1)N1CCOCC1 ZINC000019336343 558870077 /nfs/dbraw/zinc/87/00/77/558870077.db2.gz SODWNVYKQGNCJS-NJDAHSKKSA-N 0 1 415.509 1.711 40 0 HDABMN O=C(c1cnccn1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1 ZINC000019403691 558884427 /nfs/dbraw/zinc/88/44/27/558884427.db2.gz CELBWEVEXMHRRF-HNNXBMFYSA-N 0 1 408.506 1.880 40 0 HDABMN CCN1CCN(CC(=O)N2C[C@@H](c3cccc(OC)c3)[C@H](c3csnn3)C2)CC1 ZINC000019528153 558909304 /nfs/dbraw/zinc/90/93/04/558909304.db2.gz JWBDHUKTOJZHDF-RBUKOAKNSA-N 0 1 415.563 1.894 40 0 HDABMN Cc1sc2ncn(CC3(O)CCN(CC(=O)N4CCCC4)CC3)c(=O)c2c1C ZINC000019561441 558922146 /nfs/dbraw/zinc/92/21/46/558922146.db2.gz NRGKEFKJVLBOST-UHFFFAOYSA-N 0 1 404.536 1.524 40 0 HDABMN CS(=O)(=O)N1CCc2nc([C@H]3CCCN(Cc4ccccc4F)C3)[nH]c(=O)c2C1 ZINC000019572746 558930931 /nfs/dbraw/zinc/93/09/31/558930931.db2.gz SQSJJLRROJDIDI-HNNXBMFYSA-N 0 1 420.510 1.606 40 0 HDABMN Cn1c(SCCO)nnc1[C@H]1CCCN(Cc2ccnc(N3CCCC3)n2)C1 ZINC000072348137 558945193 /nfs/dbraw/zinc/94/51/93/558945193.db2.gz SYRMOAMRZLULST-HNNXBMFYSA-N 0 1 403.556 1.669 40 0 HDABMN O=C(c1ccc(=O)[nH]c1)N1CCN(Cc2ccccc2)C[C@](O)(Cn2cccn2)C1 ZINC000072354516 558951800 /nfs/dbraw/zinc/95/18/00/558951800.db2.gz HBOHOTOFSSUAIN-JOCHJYFZSA-N 0 1 407.474 1.373 40 0 HDABMN Nc1[nH]nc2nc([C@H]3CCCCN3C(=O)CN3CCOCC3)cc(C(F)(F)F)c12 ZINC000019695524 558964130 /nfs/dbraw/zinc/96/41/30/558964130.db2.gz FKDISEVMDPGNOF-CYBMUJFWSA-N 0 1 412.416 1.945 40 0 HDABMN CCN1CC2(CCN(C(=O)c3ccn[nH]3)CC2)COc2ccccc2S1(=O)=O ZINC000096263503 559107250 /nfs/dbraw/zinc/10/72/50/559107250.db2.gz XNCXCTHZUHOOFM-UHFFFAOYSA-N 0 1 404.492 1.735 40 0 HDABMN COc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1I ZINC000113941813 559182579 /nfs/dbraw/zinc/18/25/79/559182579.db2.gz LQNSDDUJEVMQCD-UHFFFAOYSA-N 0 1 410.277 1.672 40 0 HDABMN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccccc2NS(C)(=O)=O)c1 ZINC000014154041 560839973 /nfs/dbraw/zinc/83/99/73/560839973.db2.gz MSZDKQVLTIDNLB-UHFFFAOYSA-N 0 1 406.416 1.884 40 0 HDABMN CCN1CCN([C@H](c2nnnn2CCOC)c2cc3cccc(C)c3[nH]c2=O)CC1 ZINC000019973066 560877683 /nfs/dbraw/zinc/87/76/83/560877683.db2.gz HLTSVMXYDGAIFN-IBGZPJMESA-N 0 1 411.510 1.196 40 0 HDABMN CCC(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3cccc(C)c3)no2)s1 ZINC000222855562 568528515 /nfs/dbraw/zinc/52/85/15/568528515.db2.gz FSOWSRUOHRHPJV-UHFFFAOYSA-N 0 1 408.465 1.724 40 0 HDABMN CCCNS(=O)(=O)c1cc(C(=O)NCCSc2nnc(C)[nH]2)ccc1OC ZINC000222921544 568530922 /nfs/dbraw/zinc/53/09/22/568530922.db2.gz FZRQJBQDEWKVLN-UHFFFAOYSA-N 0 1 413.525 1.332 40 0 HDABMN COc1ccc(OC)c(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c1 ZINC000223676422 568555826 /nfs/dbraw/zinc/55/58/26/568555826.db2.gz DBNFFCMEEPTHER-UHFFFAOYSA-N 0 1 400.478 1.900 40 0 HDABMN COc1ccccc1OCCNS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 ZINC000225142825 568617720 /nfs/dbraw/zinc/61/77/20/568617720.db2.gz OTOPSHZIUCBVAZ-UHFFFAOYSA-N 0 1 400.482 1.499 40 0 HDABMN CN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000257243724 568788464 /nfs/dbraw/zinc/78/84/64/568788464.db2.gz IIGMDHIKIAUQJO-ZWKOTPCHSA-N 0 1 423.517 1.866 40 0 HDABMN CC(=O)N1CCN(C[C@]2(O)CCCN(C(=O)c3cc(C(C)(C)C)n[nH]3)CC2)CC1 ZINC000257245967 568789199 /nfs/dbraw/zinc/78/91/99/568789199.db2.gz IRXNKNBUMICVCS-NRFANRHFSA-N 0 1 405.543 1.229 40 0 HDABMN C[NH2+]CC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1 ZINC000257254636 568791498 /nfs/dbraw/zinc/79/14/98/568791498.db2.gz KEBIXQQACYRFGA-SCPDWHHUSA-N 0 1 413.493 1.469 40 0 HDABMN Cn1c2nccc([C@@H]3CCCN(C(=O)[C@H](N)c4ccccc4)C3)c2c(=O)n(C)c1=O ZINC000257311685 568807704 /nfs/dbraw/zinc/80/77/04/568807704.db2.gz UKPZJCWKDXQGQE-CRAIPNDOSA-N 0 1 407.474 1.038 40 0 HDABMN Cc1ccccc1N1CCC(O)(CN2CCN(Cc3ccccc3)C[C@@H]2C(N)=O)CC1 ZINC000257315730 568809072 /nfs/dbraw/zinc/80/90/72/568809072.db2.gz VCNYJPGRAWCCDE-HSZRJFAPSA-N 0 1 422.573 1.998 40 0 HDABMN COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CCN(Cc3cnn(C)c3)CC2)C1 ZINC000306132517 568894579 /nfs/dbraw/zinc/89/45/79/568894579.db2.gz LLIPJDDPFGQJKL-UHFFFAOYSA-N 0 1 422.493 1.647 40 0 HDABMN Cc1ccc2ncc(CN3CCC4(C[C@@H](CNC(=O)c5nccn5C)O4)CC3)n2c1 ZINC000306132556 568894751 /nfs/dbraw/zinc/89/47/51/568894751.db2.gz LLZULNVPKDFQGY-SFHVURJKSA-N 0 1 408.506 1.930 40 0 HDABMN O=c1c(=O)n(C2CCCC2)nc2n1C[C@@]1(CCN(Cc3ccc(F)cc3)C1)OC2 ZINC000306138589 568900423 /nfs/dbraw/zinc/90/04/23/568900423.db2.gz SBDONEGEIIUEKD-NRFANRHFSA-N 0 1 400.454 1.834 40 0 HDABMN CN1Cc2nnc(C(=O)NC3CCCCC3)n2C[C@@]12CCN(Cc1ccccn1)C2 ZINC000306141164 568902806 /nfs/dbraw/zinc/90/28/06/568902806.db2.gz VMWKGSCUHHXPTC-QFIPXVFZSA-N 0 1 409.538 1.826 40 0 HDABMN COCCN1CCc2nc3n(c(=O)c2C1)[C@]1(CC3)CCN(Cc2nccs2)C1 ZINC000306143234 568904804 /nfs/dbraw/zinc/90/48/04/568904804.db2.gz XWXFBYGZUXWXDN-HXUWFJFHSA-N 0 1 401.536 1.252 40 0 HDABMN COc1cc(OC)cc(C(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)c1 ZINC000224328469 569057455 /nfs/dbraw/zinc/05/74/55/569057455.db2.gz IARFZMIMFRSTLB-UHFFFAOYSA-N 0 1 413.478 1.293 40 0 HDABMN O=S(=O)(c1cccc(Cl)c1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 ZINC000224333997 569058565 /nfs/dbraw/zinc/05/85/65/569058565.db2.gz FSYIFLPQVONXAK-UHFFFAOYSA-N 0 1 423.926 1.478 40 0 HDABMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000032082319 569350390 /nfs/dbraw/zinc/35/03/90/569350390.db2.gz FAYDWOXNBISJMY-UHFFFAOYSA-N 0 1 408.432 1.699 40 0 HDABMN C[C@@H](CO)Nc1nc(NNc2ccc(N[SH](=O)=O)cc2)cc(C(F)(F)F)n1 ZINC000328966518 571310372 /nfs/dbraw/zinc/31/03/72/571310372.db2.gz CMFDXUBILZSFCS-QMMMGPOBSA-N 0 1 406.390 2.496 40 0 HDABMN COCCn1c2nc(C3CCN(Cc4cccnc4)CC3)ccc2c(=O)n(C)c1=O ZINC000019743061 558263626 /nfs/dbraw/zinc/26/36/26/558263626.db2.gz JODODSLBSKQVME-UHFFFAOYSA-N 0 1 409.490 1.516 40 0 HDABMN COC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@H]1c1ccccc1 ZINC000019818064 558288460 /nfs/dbraw/zinc/28/84/60/558288460.db2.gz LTDYMLDOVRRWEI-PMACEKPBSA-N 0 1 422.485 1.834 40 0 HDABMN CC(=O)NCC(=O)N1Cc2ccccc2OC2(CCC(N3CCOCC3)CC2)C1 ZINC000019021405 558837845 /nfs/dbraw/zinc/83/78/45/558837845.db2.gz GKLHPICPBGHLMZ-UHFFFAOYSA-N 0 1 401.507 1.557 40 0 HDABMN CCN1CCN(CC(=O)Nc2ccc([C@@H]3NC(=O)c4cccnc4N3C)cc2)CC1 ZINC000019528160 558909268 /nfs/dbraw/zinc/90/92/68/558909268.db2.gz GWDLYIDIJIRXDG-HXUWFJFHSA-N 0 1 408.506 1.536 40 0 HDABMN COc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)N4CCCC4)CC3)n[nH]2)cc1 ZINC000019660053 558951277 /nfs/dbraw/zinc/95/12/77/558951277.db2.gz WIOOOHVOVDZQBQ-UHFFFAOYSA-N 0 1 419.507 1.184 40 0 HDABMN O=C(CN1CCCC1)N1CCO[C@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1 ZINC000019695594 558964172 /nfs/dbraw/zinc/96/41/72/558964172.db2.gz AEBVKTGVUKPEGO-DEOSSOPVSA-N 0 1 422.529 1.634 40 0 HDABMN CNc1nc([C@H]2CCCN2C(=O)CN2CCC(C)CC2)nc2c1CCN(C(C)=O)C2 ZINC000019707299 558969698 /nfs/dbraw/zinc/96/96/98/558969698.db2.gz RTHYFYFOIJRIGA-LJQANCHMSA-N 0 1 414.554 1.818 40 0 HDABMN CN(C)CCN1[C@H]2CCN(c3ncccn3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145924 559097626 /nfs/dbraw/zinc/09/76/26/559097626.db2.gz LPQKMVHXSVLIRG-IRXDYDNUSA-N 0 1 417.535 1.459 40 0 HDABMN COCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(N[C@H]2CCSC)C(=O)Nc2c1cccc2Cl ZINC000103516150 559156003 /nfs/dbraw/zinc/15/60/03/559156003.db2.gz IISFTMMHVZGFKS-WFTHSTBKSA-N 0 1 423.922 1.460 40 0 HDABMN Cn1cc(C(=O)NC[C@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCOCC3)CC2)cn1 ZINC000257244455 559284277 /nfs/dbraw/zinc/28/42/77/559284277.db2.gz ILJWWEGWKTTXJN-QNWVGRARSA-N 0 1 412.534 1.724 40 0 HDABMN O=C([O-])c1cccc(C[N@@H+]2C[C@H]3C[C@@H](O)CN3C3(CN(Cc4ccccc4)C3)C2)c1 ZINC000514289539 560032524 /nfs/dbraw/zinc/03/25/24/560032524.db2.gz NSLKIJZTFXHQFA-FGZHOGPDSA-N 0 1 407.514 1.890 40 0 biogenic,in-vitro HDABMN O=C([O-])c1cccc(CN2C[C@H]3C[C@@H](O)C[N@H+]3C3(CN(Cc4ccccc4)C3)C2)c1 ZINC000514289539 560032526 /nfs/dbraw/zinc/03/25/26/560032526.db2.gz NSLKIJZTFXHQFA-FGZHOGPDSA-N 0 1 407.514 1.890 40 0 biogenic,in-vitro HDABMN O=C([O-])c1cccc(CN2C[C@H]3C[C@@H](O)C[N@@H+]3C3(CN(Cc4ccccc4)C3)C2)c1 ZINC000514289539 560032528 /nfs/dbraw/zinc/03/25/28/560032528.db2.gz NSLKIJZTFXHQFA-FGZHOGPDSA-N 0 1 407.514 1.890 40 0 biogenic,in-vitro HDABMN O=C([O-])c1cccc(CN2CC3(C2)C[N@H+](Cc2ccccc2)C[C@H]2C[C@@H](O)CN23)c1 ZINC000514288796 560033949 /nfs/dbraw/zinc/03/39/49/560033949.db2.gz DZOUSXMSCQVQCX-FGZHOGPDSA-N 0 1 407.514 1.890 40 0 biogenic,in-vitro HDABMN O=C([O-])c1cccc(CN2CC3(C2)CN(Cc2ccccc2)C[C@H]2C[C@@H](O)C[N@H+]23)c1 ZINC000514288796 560033951 /nfs/dbraw/zinc/03/39/51/560033951.db2.gz DZOUSXMSCQVQCX-FGZHOGPDSA-N 0 1 407.514 1.890 40 0 biogenic,in-vitro HDABMN O=C([O-])c1cccc(CN2CC3(C2)CN(Cc2ccccc2)C[C@H]2C[C@@H](O)C[N@@H+]23)c1 ZINC000514288796 560033953 /nfs/dbraw/zinc/03/39/53/560033953.db2.gz DZOUSXMSCQVQCX-FGZHOGPDSA-N 0 1 407.514 1.890 40 0 biogenic,in-vitro HDABMN CCOC(=O)COc1cc(Br)c(/C=C2/NC(=O)NC2=O)cc1OCC ZINC000409044205 560669304 /nfs/dbraw/zinc/66/93/04/560669304.db2.gz UGTWJWXROQYBSN-VZUCSPMQSA-N 0 1 413.224 1.970 40 0 HDABMN COCCn1c(C)cc(O)c([C@@H](c2ccccc2)N2CCN(CCO)CC2)c1=O ZINC000021097659 568665347 /nfs/dbraw/zinc/66/53/47/568665347.db2.gz LRCCPTKNXCKSLU-OAQYLSRUSA-N 0 1 401.507 1.208 40 0 HDABMN CCN(CC(=O)NCCSc1nnc(C)[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000226048564 568691975 /nfs/dbraw/zinc/69/19/75/568691975.db2.gz FPBBHXZTVPSSEW-UHFFFAOYSA-N 0 1 417.944 1.686 40 0 HDABMN COc1ccc(NC(=O)C(=O)NCCN2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000059483677 568707569 /nfs/dbraw/zinc/70/75/69/568707569.db2.gz HLNWNWRCRSRPAX-UHFFFAOYSA-N 0 1 410.518 1.876 40 0 HDABMN CC1(C)Oc2c(OCC(N)=O)cccc2[C@H]2OCC3(CCN(CC(N)=O)CC3)C[C@@H]21 ZINC000257209185 568778768 /nfs/dbraw/zinc/77/87/68/568778768.db2.gz BPHWFTAKDGJBKB-HNAYVOBHSA-N 0 1 417.506 1.367 40 0 HDABMN CCN(CC)S(=O)(=O)N1CCO[C@@H](c2cc(CCOc3ccccc3)[nH]n2)C1 ZINC000257222236 568782689 /nfs/dbraw/zinc/78/26/89/568782689.db2.gz DSMPDGFFUMSIFV-LJQANCHMSA-N 0 1 408.524 1.991 40 0 HDABMN Cc1c(S(=O)(=O)N2CCCC[C@H]2c2[nH]ncc2C(=O)N2CCCCC2)cnn1C ZINC000257231547 568785168 /nfs/dbraw/zinc/78/51/68/568785168.db2.gz GHFPHFNIMOSZPY-INIZCTEOSA-N 0 1 420.539 1.994 40 0 HDABMN Cc1nc2ccc(CCC(=O)N3CC[C@@](C)(O)[C@H](n4ccc(=O)[nH]c4=O)C3)cc2[nH]1 ZINC000257239068 568787310 /nfs/dbraw/zinc/78/73/10/568787310.db2.gz HNUWYKXOTISOAD-DYESRHJHSA-N 0 1 411.462 1.291 40 0 HDABMN CC(=O)N1CCN(C[C@@]2(O)CCCN(C(=O)c3cc(C(C)(C)C)n[nH]3)CC2)CC1 ZINC000257245968 568789056 /nfs/dbraw/zinc/78/90/56/568789056.db2.gz IRXNKNBUMICVCS-OAQYLSRUSA-N 0 1 405.543 1.229 40 0 HDABMN CC(=O)NCC(=O)N1CCO[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000257295674 568803117 /nfs/dbraw/zinc/80/31/17/568803117.db2.gz QZJXROWRTIITPH-SFHVURJKSA-N 0 1 406.870 1.721 40 0 HDABMN CS(=O)(=O)NCC(=O)N1CCC[C@@H]1c1cc(CCOc2cccc(F)c2)[nH]n1 ZINC000257341527 568816419 /nfs/dbraw/zinc/81/64/19/568816419.db2.gz ZKSFBNIPGKOZGA-QGZVFWFLSA-N 0 1 410.471 1.383 40 0 HDABMN COc1ccccc1OCC(=O)N1CCC2(C[C@H](CN3CCN(C)CC3)O2)CC1 ZINC000306141297 568903091 /nfs/dbraw/zinc/90/30/91/568903091.db2.gz VQZNTOJMNJJJOY-GOSISDBHSA-N 0 1 403.523 1.472 40 0 HDABMN O=C(c1ccc(Br)o1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 ZINC000224319759 569057139 /nfs/dbraw/zinc/05/71/39/569057139.db2.gz UTMZHADYJUMXLV-UHFFFAOYSA-N 0 1 422.283 1.631 40 0 HDABMN NC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c2ccccc21 ZINC000006616003 569334033 /nfs/dbraw/zinc/33/40/33/569334033.db2.gz BAEAUKIHZDWEGI-MHWRWJLKSA-N 0 1 404.451 1.958 40 0 HDABMN COC(=O)c1cc(NC(=O)c2ccccc2NS(C)(=O)=O)cc(C(=O)OC)c1 ZINC000057382783 569352319 /nfs/dbraw/zinc/35/23/19/569352319.db2.gz VFIJJWMVLYQAAB-UHFFFAOYSA-N 0 1 406.416 1.884 40 0 HDABMN CC1=C[C@@H](CNC(=O)CCC(=O)[O-])[C@H](C(C)C)C[C@H]1CC(=O)N1CC[NH+](C)CC1 ZINC000096482537 291192177 /nfs/dbraw/zinc/19/21/77/291192177.db2.gz WCLZOYFUOAWMTA-FHWLQOOXSA-N 0 1 407.555 1.986 40 0 biogenic,in-vitro HDABMN COCc1cn(C[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C(=O)NCc2ccc3c(c2)OCO3)nn1 ZINC000008298850 291195577 /nfs/dbraw/zinc/19/55/77/291195577.db2.gz POHJWGNNAOXJQO-JQHSSLGASA-N 0 1 413.478 1.180 40 0 biogenic,in-vitro HDABMN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)N[C@]21c2cc(Cl)ccc2NC1=O ZINC000035375452 557531647 /nfs/dbraw/zinc/53/16/47/557531647.db2.gz BXFSNOBRBARMKI-RKQIXSEDSA-N 0 1 418.881 1.124 40 0 HDABMN COC(=O)C12C[C@H]3C[C@H](CC(NC(=O)[C@@H](Cc4ccccc4)NC(=O)CN)(C3)C1)C2 ZINC000005521639 557659520 /nfs/dbraw/zinc/65/95/20/557659520.db2.gz YQNDVKPSYXMQOJ-DZURUPIISA-N 0 1 413.518 1.301 40 0 HDABMN CC(C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)NCCCc2nc4ccc(F)cc4[nH]2)[C@@H]3C1=O ZINC000036748632 557852206 /nfs/dbraw/zinc/85/22/06/557852206.db2.gz JBNCMHHBTDEROA-ITBLURSFSA-N 0 1 412.465 1.941 40 0 HDABMN CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)CN1CCCC1)CC2 ZINC000019753271 558272451 /nfs/dbraw/zinc/27/24/51/558272451.db2.gz UICSXERQHQXSFQ-UHFFFAOYSA-N 0 1 400.527 1.225 40 0 HDABMN COC(=O)[C@@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@@H]1c1ccccc1 ZINC000019818058 558288110 /nfs/dbraw/zinc/28/81/10/558288110.db2.gz RNHTXODSGBJUGF-VQTJNVASSA-N 0 1 422.485 1.834 40 0 HDABMN Cc1ccccc1[C@@H]1CN(CC(=O)N2CCC[C@@H](C(N)=O)C2)C[C@H]1c1csnn1 ZINC000019237421 558856621 /nfs/dbraw/zinc/85/66/21/558856621.db2.gz XZMXJVDKNWJYGA-BPQIPLTHSA-N 0 1 413.547 1.753 40 0 HDABMN O=C(c1cnccn1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1 ZINC000019403688 558884381 /nfs/dbraw/zinc/88/43/81/558884381.db2.gz CELBWEVEXMHRRF-OAHLLOKOSA-N 0 1 408.506 1.880 40 0 HDABMN CC(C)[N@H+]1CCc2nc3cc([C@@H]4CCCN(S(=O)(=O)N(C)C)C4)[n-]n3c(=O)c2C1 ZINC000019448101 558886691 /nfs/dbraw/zinc/88/66/91/558886691.db2.gz BWWPLPVZRPSPSU-CQSZACIVSA-N 0 1 422.555 1.187 40 0 HDABMN CC(C)N1CCN(C(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2O3)CC1 ZINC000072326123 558933381 /nfs/dbraw/zinc/93/33/81/558933381.db2.gz RBFOJGZRANPBFC-QFIPXVFZSA-N 0 1 414.506 1.070 40 0 HDABMN CN(C)C(=O)CN1CC2(CCC(N3CCOCC3)CC2)Oc2ccccc2C1=O ZINC000019581244 558936834 /nfs/dbraw/zinc/93/68/34/558936834.db2.gz PDULAZPDNSQPHH-UHFFFAOYSA-N 0 1 401.507 1.623 40 0 HDABMN CN(C)CC(=O)N1CCO[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 ZINC000072352678 558949206 /nfs/dbraw/zinc/94/92/06/558949206.db2.gz ISQDPDLMGUXTTP-FQEVSTJZSA-N 0 1 412.490 1.169 40 0 HDABMN CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)C(=O)CN(C)C)n1 ZINC000019700837 558967067 /nfs/dbraw/zinc/96/70/67/558967067.db2.gz AGBWVUHQTABHON-AWEZNQCLSA-N 0 1 414.485 1.698 40 0 HDABMN CCS(=O)(=O)N1CCC(c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)CC1 ZINC000072398977 558976600 /nfs/dbraw/zinc/97/66/00/558976600.db2.gz VNVXYMGCZFNWOS-UHFFFAOYSA-N 0 1 422.576 1.919 40 0 HDABMN CCN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(Cc2ccc(C)o2)CC3)C1=O ZINC000096036534 559090233 /nfs/dbraw/zinc/09/02/33/559090233.db2.gz OTKLQVYTDVPYFG-FQEVSTJZSA-N 0 1 409.552 1.684 40 0 HDABMN CCOC(=O)N1CCC([N@H+]2CC[C@H](O)[C@@](O)(COc3cc(F)ccc3F)C2)CC1 ZINC000585282006 559119729 /nfs/dbraw/zinc/11/97/29/559119729.db2.gz FKGCLFCFQOVJTG-ICSRJNTNSA-N 0 1 414.449 1.762 40 0 HDABMN CCOC(=O)N1CCC(N2CCN(C(C)=O)C[C@](O)(COc3ccccc3)C2)CC1 ZINC000585283019 559120400 /nfs/dbraw/zinc/12/04/00/559120400.db2.gz OSMFADHESIMOHU-JOCHJYFZSA-N 0 1 419.522 1.582 40 0 HDABMN COc1ccc(C(=O)NCCSc2nnc(C)[nH]2)cc1S(=O)(=O)NC(C)C ZINC000222899856 568530070 /nfs/dbraw/zinc/53/00/70/568530070.db2.gz JWCWKQZABVCKLO-UHFFFAOYSA-N 0 1 413.525 1.331 40 0 HDABMN C[C@@H]1CN(c2ncc3c(n2)[C@]2(CCN(Cc4ccc(CO)o4)C2)COC3)C[C@@H](C)O1 ZINC000253604062 568755038 /nfs/dbraw/zinc/75/50/38/568755038.db2.gz QAGKQZHCTZIBJR-MCFFVMPBSA-N 0 1 414.506 1.849 40 0 HDABMN O=C(C[C@H]1CN(C(=O)CN2CCCC2)CC[C@@H]1Oc1ccccc1)N1CCOCC1 ZINC000257298215 568804074 /nfs/dbraw/zinc/80/40/74/568804074.db2.gz RKRBZCGNCHRDLA-FPOVZHCZSA-N 0 1 415.534 1.627 40 0 HDABMN CC(=O)NCC(=O)N1CC[C@@H](c2[nH]ncc2-c2ccnc(NCC3=CCCOC3)c2)C1 ZINC000257301135 568804565 /nfs/dbraw/zinc/80/45/65/568804565.db2.gz RXDFHJPOHPDAER-GOSISDBHSA-N 0 1 424.505 1.682 40 0 HDABMN CCN(CC)C(=O)c1cn[nH]c1[C@H]1CCCCN1S(=O)(=O)c1cnn(C)c1C ZINC000257342240 568816784 /nfs/dbraw/zinc/81/67/84/568816784.db2.gz ZNSWHHZREBTIKV-OAHLLOKOSA-N 0 1 408.528 1.850 40 0 HDABMN COc1ccc(S(=O)(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)cc1C ZINC000224347173 569059515 /nfs/dbraw/zinc/05/95/15/569059515.db2.gz GXMXPHNBBCRAMS-UHFFFAOYSA-N 0 1 407.496 1.497 40 0 HDABMN COCCNC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)CN(C)C)CCO1 ZINC000019703113 569347469 /nfs/dbraw/zinc/34/74/69/569347469.db2.gz GLPMVWGPZIKKEQ-CQSZACIVSA-N 0 1 406.508 1.134 40 0 HDABMN C[C@H](CO)Nc1nc(NNc2ccc(N[SH](=O)=O)cc2)cc(C(F)(F)F)n1 ZINC000328966517 571305138 /nfs/dbraw/zinc/30/51/38/571305138.db2.gz CMFDXUBILZSFCS-MRVPVSSYSA-N 0 1 406.390 2.496 40 0 HDABMN Cc1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCOCC2)N3C)cc1 ZINC000035442509 291198575 /nfs/dbraw/zinc/19/85/75/291198575.db2.gz OQKPYPKZIPBKOD-VWPQPMDRSA-N 0 1 414.550 1.007 40 0 biogenic,in-vitro HDABMN O=C(OCc1ccccc1)[C@]12SCCN1C(=O)C2N1C(=O)c2ccccc2C1=O ZINC000005047597 557629654 /nfs/dbraw/zinc/62/96/54/557629654.db2.gz NVRCDVLPCQPRIE-IERDGZPVSA-N 0 1 408.435 1.680 40 0 HDABMN CCCCN1C(=O)[C@H]2[C@@H](CCC(N)=O)N[C@]3(c4ccc(C)c(C)c4NC3=O)[C@@H]2C1=O ZINC000009042975 557820071 /nfs/dbraw/zinc/82/00/71/557820071.db2.gz HJRBTQGLJOGHMF-IUTNIJSXSA-N 0 1 412.490 1.089 40 0 HDABMN COC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@@H]1c1ccccc1 ZINC000019818062 558288164 /nfs/dbraw/zinc/28/81/64/558288164.db2.gz LTDYMLDOVRRWEI-VQTJNVASSA-N 0 1 422.485 1.834 40 0 HDABMN COC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1ccccc1 ZINC000019818089 558288463 /nfs/dbraw/zinc/28/84/63/558288463.db2.gz YZKOLHOOZIJRLJ-RBUKOAKNSA-N 0 1 410.449 1.964 40 0 HDABMN O=C(CN1CCC(n2cnc3cccnc32)CC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000057721875 558889952 /nfs/dbraw/zinc/88/99/52/558889952.db2.gz LQPNFHGALHNQIB-UHFFFAOYSA-N 0 1 422.489 1.646 40 0 HDABMN CCSc1ncc(CN2CCC[C@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)cn1 ZINC000019520526 558901384 /nfs/dbraw/zinc/90/13/84/558901384.db2.gz UNDOSAITFRMHOV-INIZCTEOSA-N 0 1 416.551 1.888 40 0 HDABMN CC(C)NC(=O)[C@@H]1CN(C(=O)[C@H](N)c2ccccc2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000072334457 558935648 /nfs/dbraw/zinc/93/56/48/558935648.db2.gz MOBKJWDJFQNCFZ-DCLXLUIPSA-N 0 1 420.513 1.394 40 0 HDABMN CC(C)NC(=O)[C@@H]1CN(C(=O)[C@@H](N)c2ccccc2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000072334458 558935660 /nfs/dbraw/zinc/93/56/60/558935660.db2.gz MOBKJWDJFQNCFZ-MZLICYQSSA-N 0 1 420.513 1.394 40 0 HDABMN CN(Cc1ccccc1)C(=O)c1cn[nH]c1C1CCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC000019586493 558939701 /nfs/dbraw/zinc/93/97/01/558939701.db2.gz KWCAGGZALMSVOJ-UHFFFAOYSA-N 0 1 420.473 1.785 40 0 HDABMN CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)CN3CCCC3)nc(N(C)C)c2C1 ZINC000019710238 558971885 /nfs/dbraw/zinc/97/18/85/558971885.db2.gz YIXPJCOMRXQTPV-IBGZPJMESA-N 0 1 414.554 1.597 40 0 HDABMN O=C(NCc1ccon1)[C@H]1C[C@@]2(CO1)CN(Cc1ncc(C(F)(F)F)[nH]1)CCO2 ZINC000585102195 559024950 /nfs/dbraw/zinc/02/49/50/559024950.db2.gz OBDURRJSVBULNK-WBMJQRKESA-N 0 1 415.372 1.093 40 0 HDABMN COCCN(C)C(=O)c1ccc2nnc([C@H]3CN(Cc4ccccc4)CCN3C)n2c1 ZINC000096156628 559100557 /nfs/dbraw/zinc/10/05/57/559100557.db2.gz CVPOKMAKHWKOMV-HXUWFJFHSA-N 0 1 422.533 1.936 40 0 HDABMN COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ccccc3F)[C@H](N(C)CCO)[C@H]2O)c1 ZINC000585262312 559110740 /nfs/dbraw/zinc/11/07/40/559110740.db2.gz SQCZUXXMOHSUCX-CGXNFDGLSA-N 0 1 418.465 1.438 40 0 HDABMN NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)c2ccc3[nH]nnc3c2)CCO1 ZINC000585284083 559120891 /nfs/dbraw/zinc/12/08/91/559120891.db2.gz RETXTSCWNZZBOI-HXUWFJFHSA-N 0 1 413.409 1.263 40 0 HDABMN O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1)c1cccnn1 ZINC000257299111 559286009 /nfs/dbraw/zinc/28/60/09/559286009.db2.gz ROTSZXRMANAXFJ-MQSCRBSSSA-N 0 1 410.518 1.780 40 0 HDABMN O=C([O-])c1cccc(CN2CC3(C2)C[N@H+](Cc2ccccc2)C[C@@H]2C[C@@H](O)CN23)c1 ZINC000514288792 560034006 /nfs/dbraw/zinc/03/40/06/560034006.db2.gz DZOUSXMSCQVQCX-FCHUYYIVSA-N 0 1 407.514 1.890 40 0 biogenic,in-vitro HDABMN O=C([O-])c1cccc(CN2CC3(C2)CN(Cc2ccccc2)C[C@@H]2C[C@@H](O)C[N@H+]23)c1 ZINC000514288792 560034007 /nfs/dbraw/zinc/03/40/07/560034007.db2.gz DZOUSXMSCQVQCX-FCHUYYIVSA-N 0 1 407.514 1.890 40 0 biogenic,in-vitro HDABMN O=C([O-])c1cccc(CN2CC3(C2)CN(Cc2ccccc2)C[C@@H]2C[C@@H](O)C[N@@H+]23)c1 ZINC000514288792 560034008 /nfs/dbraw/zinc/03/40/08/560034008.db2.gz DZOUSXMSCQVQCX-FCHUYYIVSA-N 0 1 407.514 1.890 40 0 biogenic,in-vitro HDABMN NC(=O)[C@@H]1CCC[N@H+]1CC[C@H]1CN(C(=O)NC2CCCCC2)CC[C@H]1CC(=O)[O-] ZINC000020463035 560093023 /nfs/dbraw/zinc/09/30/23/560093023.db2.gz JJQQTFWQBBADNU-BQFCYCMXSA-N 0 1 408.543 1.781 40 0 biogenic,in-vitro HDABMN CCN1CCN(c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C)CC1 ZINC000014000253 560837091 /nfs/dbraw/zinc/83/70/91/560837091.db2.gz QOQRAKSIKNDNMW-UHFFFAOYSA-N 0 1 416.913 1.277 40 0 HDABMN Cc1nnc(SCCNC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(Cl)cc2)[nH]1 ZINC000225948460 568688173 /nfs/dbraw/zinc/68/81/73/568688173.db2.gz PITPEMFZLKJUQV-CYBMUJFWSA-N 0 1 417.944 1.655 40 0 HDABMN CS(=O)(=O)N1CCC[C@H](C(=O)NCCSc2nc(-c3ccccc3)n[nH]2)C1 ZINC000260749229 568737266 /nfs/dbraw/zinc/73/72/66/568737266.db2.gz UIDRGYOIVNJPFE-AWEZNQCLSA-N 0 1 409.537 1.352 40 0 HDABMN Cn1nccc1C(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 ZINC000257288858 568800995 /nfs/dbraw/zinc/80/09/95/568800995.db2.gz PVZORIDNKGPEOS-KJXAQDMKSA-N 0 1 412.534 1.724 40 0 HDABMN O=C(NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1)c1cccnn1 ZINC000257299112 568804255 /nfs/dbraw/zinc/80/42/55/568804255.db2.gz ROTSZXRMANAXFJ-QNWVGRARSA-N 0 1 410.518 1.780 40 0 HDABMN Cc1nc(C)c(CC(=O)N2CCC[C@@H](c3[nH]ncc3C(=O)N3CCOCC3)C2)s1 ZINC000257300604 568804719 /nfs/dbraw/zinc/80/47/19/568804719.db2.gz RVAAEWBZJUXEMT-OAHLLOKOSA-N 0 1 417.535 1.904 40 0 HDABMN CN(C)CC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCN(C)CC2)C1 ZINC000257307634 568806986 /nfs/dbraw/zinc/80/69/86/568806986.db2.gz SZPHRSXHYALLSV-ICSRJNTNSA-N 0 1 402.539 1.008 40 0 HDABMN O=C(COc1ccc(Cl)cc1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 ZINC000224320323 569057159 /nfs/dbraw/zinc/05/71/59/569057159.db2.gz WGKQIORUCDBAOE-UHFFFAOYSA-N 0 1 417.897 1.694 40 0 HDABMN COc1cccc(C(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)c1OC ZINC000224328420 569057431 /nfs/dbraw/zinc/05/74/31/569057431.db2.gz RMWPOZZZKWFQEE-UHFFFAOYSA-N 0 1 413.478 1.293 40 0 HDABMN Cc1ccc(S(=O)(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)cc1 ZINC000224332469 569058527 /nfs/dbraw/zinc/05/85/27/569058527.db2.gz BMLJBHMFZSFXCA-UHFFFAOYSA-N 0 1 403.508 1.133 40 0 HDABMN COC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1ccccc1 ZINC000019818087 558288439 /nfs/dbraw/zinc/28/84/39/558288439.db2.gz YZKOLHOOZIJRLJ-RTBURBONSA-N 0 1 410.449 1.964 40 0 HDABMN CC(C)(CO)NC(=O)c1ccc2c(c1)nc1n(c2=O)CCN(Cc2ccccc2)CC1 ZINC000019085032 558840973 /nfs/dbraw/zinc/84/09/73/558840973.db2.gz UARIXMHYZQNPTB-UHFFFAOYSA-N 0 1 420.513 1.956 40 0 HDABMN CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000054084630 558866061 /nfs/dbraw/zinc/86/60/61/558866061.db2.gz UKVJIDZUOCANSK-UHFFFAOYSA-N 0 1 403.504 1.820 40 0 HDABMN C[C@H]1CN(CC(=O)NCCn2nc(-c3ccccc3F)cc2CN(C)C)C[C@H](C)O1 ZINC000019497460 558896379 /nfs/dbraw/zinc/89/63/79/558896379.db2.gz OWUSTDYIANUGPL-IRXDYDNUSA-N 0 1 417.529 1.976 40 0 HDABMN CCN(CC)C(=O)CN1CCC(O)(Cn2cnc3sc(C)c(C)c3c2=O)CC1 ZINC000019526213 558907514 /nfs/dbraw/zinc/90/75/14/558907514.db2.gz NRMWSYBCUXOHAK-UHFFFAOYSA-N 0 1 406.552 1.770 40 0 HDABMN CCN1CCN(CC(=O)N2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 ZINC000019528150 558909194 /nfs/dbraw/zinc/90/91/94/558909194.db2.gz OCDLUJJVUOBMFH-SFHVURJKSA-N 0 1 401.555 1.313 40 0 HDABMN CN1CCN(c2cc(C(=O)NCc3ccc(CN4CCCC4=O)cc3)ccn2)CC1 ZINC000019662579 558953591 /nfs/dbraw/zinc/95/35/91/558953591.db2.gz BTUCCVNDADUVIC-UHFFFAOYSA-N 0 1 407.518 1.886 40 0 HDABMN C[C@@H](CN1CCOCC1)C(=O)N1CCC(c2ccc(C(=O)NCC3CC3)cn2)CC1 ZINC000019705784 558968094 /nfs/dbraw/zinc/96/80/94/558968094.db2.gz BTDGAACOBPBATN-KRWDZBQOSA-N 0 1 414.550 1.896 40 0 HDABMN CNc1nc([C@@H]2CCCN(C)C2)nc2c1CCN(S(=O)(=O)c1c(C)noc1C)C2 ZINC000019708706 558971056 /nfs/dbraw/zinc/97/10/56/558971056.db2.gz JBORYXIRBMYWHW-CQSZACIVSA-N 0 1 420.539 1.679 40 0 HDABMN CNc1nc([C@@H]2CCCN(CC(=O)Nc3ccc(OC)cc3)C2)nc2c1CNCC2 ZINC000019710469 558972602 /nfs/dbraw/zinc/97/26/02/558972602.db2.gz IAEAQPZRTMMWJN-OAHLLOKOSA-N 0 1 410.522 1.991 40 0 HDABMN Cc1cc(CN2CCO[C@]3(CO[C@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)n[nH]1 ZINC000585102172 559025417 /nfs/dbraw/zinc/02/54/17/559025417.db2.gz IOLOAOJEONPNSJ-ICSRJNTNSA-N 0 1 406.433 1.673 40 0 HDABMN CCN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(Cc2ccc(F)cc2)CC3)C1=O ZINC000096036539 559090464 /nfs/dbraw/zinc/09/04/64/559090464.db2.gz BWJCBLZVFCFULI-OAQYLSRUSA-N 0 1 423.554 1.922 40 0 HDABMN CN1CCN(c2nc3ccccc3n3nc(C(=O)NCc4ccccn4)nc23)CC1 ZINC000096087867 559095056 /nfs/dbraw/zinc/09/50/56/559095056.db2.gz VNYRBILHCISYFS-UHFFFAOYSA-N 0 1 402.462 1.354 40 0 HDABMN CS(=O)(=O)N1C[C@H](c2nc[nH]n2)c2cc(C(=O)NCc3ccsc3)ccc21 ZINC000096156435 559100494 /nfs/dbraw/zinc/10/04/94/559100494.db2.gz ZFEHFDSJYZRICZ-AWEZNQCLSA-N 0 1 403.489 1.708 40 0 HDABMN COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ccccc3)[C@H](N(C)CCO)[C@H]2O)c1 ZINC000585262358 559110909 /nfs/dbraw/zinc/11/09/09/559110909.db2.gz YKYLLRGPBHIIEE-CGXNFDGLSA-N 0 1 400.475 1.299 40 0 HDABMN C[C@@]1(N(CCO)CC2(O)CCN(c3ccccc3F)CC2)CCS(=O)(=O)C1 ZINC000585285102 559121451 /nfs/dbraw/zinc/12/14/51/559121451.db2.gz WBFLLSBMESGEQN-GOSISDBHSA-N 0 1 400.516 1.029 40 0 HDABMN COCCN(C)C(=O)c1ccc2nnc([C@@H]3CN(CC4CC4)CCN3C(C)C)n2c1 ZINC000107189619 559164878 /nfs/dbraw/zinc/16/48/78/559164878.db2.gz NCEDVUYBPNLQTN-IBGZPJMESA-N 0 1 414.554 1.925 40 0 HDABMN O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1)c1cnccn1 ZINC000257311236 559286180 /nfs/dbraw/zinc/28/61/80/559286180.db2.gz UIPLNIOMJZSWSK-MQSCRBSSSA-N 0 1 410.518 1.780 40 0 HDABMN O=C(c1ccccc1F)N1C[C@@H]2COCCN2C2(CN(CC3CCOCC3)C2)C1 ZINC000604381992 568489411 /nfs/dbraw/zinc/48/94/11/568489411.db2.gz YAAOKLANVSSGOU-GOSISDBHSA-N 0 1 403.498 1.463 40 0 biogenic,in-vitro HDABMN O=C(Nc1nnc(S(=O)(=O)NC[C@@H]2CCCO2)s1)c1ccc(Cl)cc1 ZINC000223326452 568545236 /nfs/dbraw/zinc/54/52/36/568545236.db2.gz GBFORGNUJJXMQT-NSHDSACASA-N 0 1 402.885 1.901 40 0 HDABMN CCN(CC(=O)NCCSc1nnc(C)[nH]1)S(=O)(=O)c1cc(C)ccc1C ZINC000225931568 568686944 /nfs/dbraw/zinc/68/69/44/568686944.db2.gz PVOHKLVDGNGYAM-UHFFFAOYSA-N 0 1 411.553 1.649 40 0 HDABMN Cc1nnc(SCCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)[nH]1 ZINC000226071782 568692759 /nfs/dbraw/zinc/69/27/59/568692759.db2.gz HQHSOQVQLAVIBE-UHFFFAOYSA-N 0 1 409.537 1.422 40 0 HDABMN O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCC(O)CC1)c1ccccc1 ZINC000257214859 568780501 /nfs/dbraw/zinc/78/05/01/568780501.db2.gz CNSRMMJEPUWAFM-CZYKHXBRSA-N 0 1 414.477 1.962 40 0 HDABMN CN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC000257243723 568788441 /nfs/dbraw/zinc/78/84/41/568788441.db2.gz IIGMDHIKIAUQJO-ROUUACIJSA-N 0 1 423.517 1.866 40 0 HDABMN Cc1cncc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2N(C)CCO)c1 ZINC000257258260 568792466 /nfs/dbraw/zinc/79/24/66/568792466.db2.gz KTALJHBJRKQUMT-ZRNYENFQSA-N 0 1 403.454 1.132 40 0 HDABMN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3[nH]ncc3C(=O)N3CCOCC3)C2)cc1 ZINC000257308744 568807025 /nfs/dbraw/zinc/80/70/25/568807025.db2.gz TXYAGMORRRKFLL-INIZCTEOSA-N 0 1 418.519 1.759 40 0 HDABMN CC(=O)Nc1ccc(NC(=O)CN2CCC[C@](C)(C(=O)N3CCOCC3)C2)cc1 ZINC000257332647 568814051 /nfs/dbraw/zinc/81/40/51/568814051.db2.gz XYDHNWCQZUHTMM-NRFANRHFSA-N 0 1 402.495 1.544 40 0 HDABMN COc1cc(CN[C@@H]2[C@@H](O)CO[C@H](OCc3ccccc3)[C@H]2O)cc(OC)c1OC ZINC000261828172 568821550 /nfs/dbraw/zinc/82/15/50/568821550.db2.gz CNLLKDWBVIHVEB-SZFLOTBDSA-N 0 1 419.474 1.466 40 0 HDABMN CN1CCN(c2ccc(C(=O)N3C[C@@]4(F)C(=O)N(CC5CC5)C[C@@]4(F)C3)cc2)CC1 ZINC000306136805 568898594 /nfs/dbraw/zinc/89/85/94/568898594.db2.gz QDVLNLSWENDYRV-FGZHOGPDSA-N 0 1 418.488 1.563 40 0 HDABMN CNc1nc(NCCN2CCN(C)CC2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328970861 568970500 /nfs/dbraw/zinc/97/05/00/568970500.db2.gz DNADTHKCSWUCEQ-UHFFFAOYSA-N 0 1 410.444 1.587 40 0 HDABMN COc1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)cc1OC ZINC000224317622 569057184 /nfs/dbraw/zinc/05/71/84/569057184.db2.gz WQMBODNGZVSDQH-UHFFFAOYSA-N 0 1 413.478 1.293 40 0 HDABMN O=C(NCCN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000524729302 569291438 /nfs/dbraw/zinc/29/14/38/569291438.db2.gz NHJPOQJLVGKCER-KSZLIROESA-N 0 1 424.501 1.025 40 0 HDABMN COCCNC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)CN(C)C)CCO1 ZINC000019703112 569347461 /nfs/dbraw/zinc/34/74/61/569347461.db2.gz GLPMVWGPZIKKEQ-AWEZNQCLSA-N 0 1 406.508 1.134 40 0 HDABMN CN(C)Cc1cnc2ccnn2c1CC1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000019704739 569347789 /nfs/dbraw/zinc/34/77/89/569347789.db2.gz MZUJHCQZNSNESH-UHFFFAOYSA-N 0 1 406.556 1.386 40 0 HDABMN O=C([C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(COc2ccccc2)nn1)N1CCOCC1 ZINC000008298044 291200910 /nfs/dbraw/zinc/20/09/10/291200910.db2.gz PDJZRYVYSOHMMM-QFUCXCTJSA-N 0 1 411.506 1.426 40 0 biogenic,in-vitro HDABMN CCOC(=O)c1c(C)nn2c1ncc1c2ccn(-c2n[nH]c(C)c2C(=O)OCC)c1=O ZINC000040397953 521399381 /nfs/dbraw/zinc/39/93/81/521399381.db2.gz WSINRODVMIEJSV-UHFFFAOYSA-N 0 1 424.417 1.727 40 0 HDABMN Cc1nc([C@H]2CCCCN2C(=O)CN2CCCC2)ncc1C(=O)N1CCOCC1 ZINC000019751895 558271714 /nfs/dbraw/zinc/27/17/14/558271714.db2.gz JRBYMUFJEAZDEU-GOSISDBHSA-N 0 1 401.511 1.407 40 0 HDABMN O=C(c1ccn[nH]1)N1CCO[C@@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 ZINC000019759187 558275606 /nfs/dbraw/zinc/27/56/06/558275606.db2.gz OTXZUNCCVYCXQA-HXUWFJFHSA-N 0 1 421.457 1.644 40 0 HDABMN O=C(c1ccn[nH]1)N1CCN(S(=O)(=O)c2cc(Cl)cnc2C2CCC2)CC1 ZINC000012221792 558356084 /nfs/dbraw/zinc/35/60/84/558356084.db2.gz HIXIZEMLKIDAEA-UHFFFAOYSA-N 0 1 409.899 1.872 40 0 HDABMN CNc1cc([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)nc(CN(C)C(C)=O)n1 ZINC000072370159 558956374 /nfs/dbraw/zinc/95/63/74/558956374.db2.gz NVACKDMTYZOTGN-SFHVURJKSA-N 0 1 416.570 1.935 40 0 HDABMN Cc1cc(CN2CCO[C@@]3(CO[C@@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)n[nH]1 ZINC000585102174 559025388 /nfs/dbraw/zinc/02/53/88/559025388.db2.gz IOLOAOJEONPNSJ-UYAOXDASSA-N 0 1 406.433 1.673 40 0 HDABMN O=C(Nc1ccccc1)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3ccn[nH]3)CC2)O1 ZINC000096144623 559096759 /nfs/dbraw/zinc/09/67/59/559096759.db2.gz QKDSYYWFTWLNEP-KRWDZBQOSA-N 0 1 406.446 1.775 40 0 HDABMN CC(=O)N[C@H]1CC[C@](CNC(=O)CN2CCCCC2)(c2ccccc2)CC[C@@H]1O ZINC000257249112 559284453 /nfs/dbraw/zinc/28/44/53/559284453.db2.gz JGWGRSRFLRSRGZ-FUDKSRODSA-N 0 1 401.551 1.966 40 0 HDABMN O=C([O-])c1cccc(CN2CC3(C2)C[N@H+](CCc2ccccc2)C[C@H]2C[C@@H](O)CN23)c1 ZINC000514290161 560030284 /nfs/dbraw/zinc/03/02/84/560030284.db2.gz URJGXPLDBOYCCM-DHIUTWEWSA-N 0 1 421.541 1.933 40 0 biogenic,in-vitro HDABMN Cc1nnc(SCCNC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)[nH]1 ZINC000222848647 568528445 /nfs/dbraw/zinc/52/84/45/568528445.db2.gz QHUAMUMRYRLPDC-UHFFFAOYSA-N 0 1 411.553 1.641 40 0 HDABMN CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2cc(OC)ccc2OC)s1 ZINC000223775380 568558815 /nfs/dbraw/zinc/55/88/15/568558815.db2.gz CGAZOPURFTVAHE-SECBINFHSA-N 0 1 400.482 1.943 40 0 HDABMN CCNC(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)NC)ccc2OC)ccc1OC ZINC000223785606 568559138 /nfs/dbraw/zinc/55/91/38/568559138.db2.gz SXVVAYYBCXQNPT-UHFFFAOYSA-N 0 1 421.475 1.614 40 0 HDABMN CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)c1ccc(N2CCN(C)CC2)cc1 ZINC000257228208 568784262 /nfs/dbraw/zinc/78/42/62/568784262.db2.gz FSUTXXYCORWEJK-HSZRJFAPSA-N 0 1 424.549 1.332 40 0 HDABMN CC(=O)N1CCN(C[C@@]2(O)CCCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC2)CC1 ZINC000257257649 568792313 /nfs/dbraw/zinc/79/23/13/568792313.db2.gz KQNXNJXCLVYUEF-JOCHJYFZSA-N 0 1 416.497 1.828 40 0 HDABMN COc1ncccc1CN1C[C@@H]2c3nn(Cc4ccc(C)cc4)c(=O)c(=O)n3C[C@@H]2C1 ZINC000306137042 568899025 /nfs/dbraw/zinc/89/90/25/568899025.db2.gz QJZVRTKEZVTWBV-OALUTQOASA-N 0 1 419.485 1.395 40 0 HDABMN CC(C)c1nc(NCCCO)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1 ZINC000328955929 568969577 /nfs/dbraw/zinc/96/95/77/568969577.db2.gz AEEQMHHBWCVURI-UHFFFAOYSA-N 0 1 405.524 1.604 40 0 HDABMN Cc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329033372 568973712 /nfs/dbraw/zinc/97/37/12/568973712.db2.gz QUDIDNXLQADUQN-KRWDZBQOSA-N 0 1 405.524 1.424 40 0 HDABMN O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 ZINC000224322288 569057351 /nfs/dbraw/zinc/05/73/51/569057351.db2.gz SQQFNZSOGRCLSR-UHFFFAOYSA-N 0 1 412.450 1.396 40 0 HDABMN CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CCN(CC(=O)N3CCCC3)C2)n1 ZINC000019694736 569346643 /nfs/dbraw/zinc/34/66/43/569346643.db2.gz VZUFXNQCZDEWKW-SFHVURJKSA-N 0 1 422.533 1.720 40 0 HDABMN O=[SH](=O)Nc1ccc(NNc2cc(C(F)(F)F)nc(NCCCO)n2)cc1 ZINC000328991020 571308287 /nfs/dbraw/zinc/30/82/87/571308287.db2.gz IROOGGOWPSCDNR-UHFFFAOYSA-N 0 1 406.390 2.498 40 0 HDABMN CC(=O)c1ccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3CN2CC[NH+](C)CC2)cc1 ZINC000020503856 291191502 /nfs/dbraw/zinc/19/15/02/291191502.db2.gz RKFYQPMJSSOSBY-JAXLGGSGSA-N 0 1 413.566 1.969 40 0 biogenic,in-vitro HDABMN O=C(Nc1nccs1)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1 ZINC000008299736 291200598 /nfs/dbraw/zinc/20/05/98/291200598.db2.gz QIINWWJVPVEKHE-KFWWJZLASA-N 0 1 402.524 1.845 40 0 biogenic,in-vitro HDABMN O=C1N[C@@H](c2ccc3c(c2)OCO3)C(=C(O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 ZINC000000951775 557124637 /nfs/dbraw/zinc/12/46/37/557124637.db2.gz NGXKDHNDHYWXGJ-JKIFEVAISA-N 0 1 409.320 1.914 40 0 HDABMN Cc1ccnc(NS(=O)(=O)c2ccc(N3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2)n1 ZINC000004892812 557610588 /nfs/dbraw/zinc/61/05/88/557610588.db2.gz CFMQYYTZBXTMBB-AZQPONJRSA-N 0 1 410.455 1.897 40 0 HDABMN O=C(C[C@@H]1SC(=O)NC1=O)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 ZINC000019406680 558885092 /nfs/dbraw/zinc/88/50/92/558885092.db2.gz FFIGDQPJAHLHCO-ZDUSSCGKSA-N 0 1 418.500 1.946 40 0 HDABMN Cc1sc2ncn(CC3(O)CCN(CC(=O)N4CCCCC4)CC3)c(=O)c2c1C ZINC000019561444 558922086 /nfs/dbraw/zinc/92/20/86/558922086.db2.gz HWMPKLUZNHWKIO-UHFFFAOYSA-N 0 1 418.563 1.914 40 0 HDABMN CSc1ncc(CN2CCC[C@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)cn1 ZINC000019574132 558931773 /nfs/dbraw/zinc/93/17/73/558931773.db2.gz QVVPVPRUEBUMQE-HNNXBMFYSA-N 0 1 402.524 1.498 40 0 HDABMN COc1ncc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2cnc(N(C)C)nc2)C3)c(OC)n1 ZINC000019585480 558939073 /nfs/dbraw/zinc/93/90/73/558939073.db2.gz IGAQETPFULVFQK-GWTOYCKXSA-N 0 1 414.510 1.470 40 0 HDABMN COc1cccc(CNC(=O)c2cc3c(nc2N)CCN(C(=O)CN2CCCC2)C3)c1 ZINC000019701098 558967252 /nfs/dbraw/zinc/96/72/52/558967252.db2.gz QHGLIIQNGNATIO-UHFFFAOYSA-N 0 1 423.517 1.583 40 0 HDABMN CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)CN3CCCC3)nc(N(C)C)c2C1 ZINC000019710239 558971879 /nfs/dbraw/zinc/97/18/79/558971879.db2.gz YIXPJCOMRXQTPV-LJQANCHMSA-N 0 1 414.554 1.597 40 0 HDABMN O=C(NCc1ccon1)[C@@H]1C[C@]2(CO1)CN(Cc1ncc(C(F)(F)F)[nH]1)CCO2 ZINC000585102192 559024769 /nfs/dbraw/zinc/02/47/69/559024769.db2.gz OBDURRJSVBULNK-BLLLJJGKSA-N 0 1 415.372 1.093 40 0 HDABMN CC(=O)N1C[C@H]2C3(CC[C@@]2(C(=O)N(C)C)C1)CCN(C(=O)c1cc(C)[nH]n1)CC3 ZINC000096262400 559106426 /nfs/dbraw/zinc/10/64/26/559106426.db2.gz YJZQDCLNGOXMDG-LAUBAEHRSA-N 0 1 401.511 1.287 40 0 HDABMN CCCCCn1c(N2CCN(CCc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000096306420 559109309 /nfs/dbraw/zinc/10/93/09/559109309.db2.gz RXIWROKXSMDETM-UHFFFAOYSA-N 0 1 424.549 1.978 40 0 HDABMN CCOC(=O)N1CCC(N2CCN(C(C)=O)C[C@@](O)(COc3ccccc3)C2)CC1 ZINC000585283021 559120370 /nfs/dbraw/zinc/12/03/70/559120370.db2.gz OSMFADHESIMOHU-QFIPXVFZSA-N 0 1 419.522 1.582 40 0 HDABMN C[C@]1(N(CCO)CC2(O)CCN(c3ccccc3F)CC2)CCS(=O)(=O)C1 ZINC000585285104 559121457 /nfs/dbraw/zinc/12/14/57/559121457.db2.gz WBFLLSBMESGEQN-SFHVURJKSA-N 0 1 400.516 1.029 40 0 HDABMN CCOc1ccc(NC(=O)C([O-])=CC(=O)c2c(C)[n+]([O-])c3ccccc3[n+]2[O-])cc1 ZINC000102978716 559154003 /nfs/dbraw/zinc/15/40/03/559154003.db2.gz HABSHDVCGNMKSS-UHFFFAOYSA-N 0 1 409.398 1.594 40 0 HDABMN O=C([O-])c1cccc(C[N@@H+]2C[C@@H]3C[C@@H](O)CN3C3(CN(Cc4ccccc4)C3)C2)c1 ZINC000514289538 560032394 /nfs/dbraw/zinc/03/23/94/560032394.db2.gz NSLKIJZTFXHQFA-FCHUYYIVSA-N 0 1 407.514 1.890 40 0 biogenic,in-vitro HDABMN O=C([O-])c1cccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C3(CN(Cc4ccccc4)C3)C2)c1 ZINC000514289538 560032397 /nfs/dbraw/zinc/03/23/97/560032397.db2.gz NSLKIJZTFXHQFA-FCHUYYIVSA-N 0 1 407.514 1.890 40 0 biogenic,in-vitro HDABMN O=C([O-])c1cccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C3(CN(Cc4ccccc4)C3)C2)c1 ZINC000514289538 560032399 /nfs/dbraw/zinc/03/23/99/560032399.db2.gz NSLKIJZTFXHQFA-FCHUYYIVSA-N 0 1 407.514 1.890 40 0 biogenic,in-vitro HDABMN COc1cc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2cccnc2)ccc1O ZINC000001153752 560556095 /nfs/dbraw/zinc/55/60/95/560556095.db2.gz KYUZLWFKQNZOHE-VBQJREDUSA-N 0 1 411.336 1.900 40 0 HDABMN C=C1N=C(SCC(N)=O)N[C@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408990917 560662150 /nfs/dbraw/zinc/66/21/50/560662150.db2.gz OYNIANSTCUPZHV-MRXNPFEDSA-N 0 1 423.491 1.768 40 0 HDABMN COc1ccc(OC[C@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 ZINC000223102371 568537652 /nfs/dbraw/zinc/53/76/52/568537652.db2.gz FAWOJUXKIIJFFY-NSHDSACASA-N 0 1 414.509 1.887 40 0 HDABMN COc1ccc(OC[C@@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 ZINC000223102304 568537662 /nfs/dbraw/zinc/53/76/62/568537662.db2.gz FAWOJUXKIIJFFY-LLVKDONJSA-N 0 1 414.509 1.887 40 0 HDABMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(OCC(N)=O)cc1 ZINC000223299951 568544477 /nfs/dbraw/zinc/54/44/77/568544477.db2.gz MNAFKVPBTGLHQS-UHFFFAOYSA-N 0 1 424.431 1.155 40 0 HDABMN CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2cc(OC)ccc2OC)s1 ZINC000223775330 568558747 /nfs/dbraw/zinc/55/87/47/568558747.db2.gz CGAZOPURFTVAHE-VIFPVBQESA-N 0 1 400.482 1.943 40 0 HDABMN COc1ccc([C@H](CC(=O)NCCSc2nnc(C)[nH]2)NS(C)(=O)=O)cc1 ZINC000225953315 568688612 /nfs/dbraw/zinc/68/86/12/568688612.db2.gz HZXWHYDSNGPCQQ-AWEZNQCLSA-N 0 1 413.525 1.011 40 0 HDABMN C[C@@H]1CN(c2ncc3c(n2)[C@]2(CCN(Cc4cccnc4N)C2)COC3)C[C@@H](C)O1 ZINC000253603057 568755122 /nfs/dbraw/zinc/75/51/22/568755122.db2.gz IOXVYOVSVKPCPV-MCFFVMPBSA-N 0 1 410.522 1.741 40 0 HDABMN CN1C(=O)CCCC[C@@H]2[C@@H]1CCN2CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000257207132 568778155 /nfs/dbraw/zinc/77/81/55/568778155.db2.gz BGMAQHIDEKUQFT-VQTJNVASSA-N 0 1 402.514 1.950 40 0 HDABMN Cc1cc2nc(CCC(=O)N3C[C@@H](O)[C@H](n4cc(C)c(=O)[nH]c4=O)C3)[nH]c2c(C)c1 ZINC000257220696 568782111 /nfs/dbraw/zinc/78/21/11/568782111.db2.gz DLTAHNXBNNOSLP-HZPDHXFCSA-N 0 1 411.462 1.127 40 0 HDABMN Cc1c(S(=O)(=O)N2CCCC[C@@H]2c2[nH]ncc2C(=O)N2CCCCC2)cnn1C ZINC000257231548 568785283 /nfs/dbraw/zinc/78/52/83/568785283.db2.gz GHFPHFNIMOSZPY-MRXNPFEDSA-N 0 1 420.539 1.994 40 0 HDABMN Cn1ccc(C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H](N3CCOCC3)CC2)n1 ZINC000257236499 568786597 /nfs/dbraw/zinc/78/65/97/568786597.db2.gz HCMBXOGHRHXEOM-MQSCRBSSSA-N 0 1 412.534 1.724 40 0 HDABMN CN1C(=O)CO[C@H]2CC[N@H+](Cc3cc(C(C)(C)C)ccc3OCC(N)=O)CC[C@@H]21 ZINC000257241777 568787842 /nfs/dbraw/zinc/78/78/42/568787842.db2.gz HZOAJJFQVCHJSI-HKUYNNGSSA-N 0 1 403.523 1.670 40 0 HDABMN O=C(N[C@@H]1CCCC[C@@H]([NH+]2CCOCC2)[C@@H]1O)c1cccc(Br)c1[O-] ZINC000257260696 568793076 /nfs/dbraw/zinc/79/30/76/568793076.db2.gz LDYCCDGFFLBASL-BFYDXBDKSA-N 0 1 413.312 1.889 40 0 HDABMN Cc1cc2nc(CCC(=O)N[C@@H]3CCC[C@@H](N4CCOCC4)[C@@H]3O)[nH]c2c(C)c1 ZINC000257265802 568794415 /nfs/dbraw/zinc/79/44/15/568794415.db2.gz MAIZTAOESNHSBP-RADWXHQJSA-N 0 1 400.523 1.843 40 0 HDABMN O=C(CN1CCCC1)N1CCC[C@H](c2nn(CCNC(=O)C3CC3)c3ncccc23)C1 ZINC000257298526 568803971 /nfs/dbraw/zinc/80/39/71/568803971.db2.gz RMCIASKUVKBQQN-SFHVURJKSA-N 0 1 424.549 1.759 40 0 HDABMN CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)CN2CCCC2)CC1 ZINC000257326646 568812249 /nfs/dbraw/zinc/81/22/49/568812249.db2.gz WYBFUYOMPQBXLP-MQSCRBSSSA-N 0 1 401.551 1.918 40 0 HDABMN CCS(=O)(=O)N1CC[C@@H](NCc2ccccc2)[C@@]2(CC(C(=O)NC(C)C)=NO2)C1 ZINC000306130452 568892842 /nfs/dbraw/zinc/89/28/42/568892842.db2.gz JGRZAOQJVVRRSZ-UYAOXDASSA-N 0 1 422.551 1.240 40 0 HDABMN Cc1cccc(S(=O)(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)c1 ZINC000224332418 569058563 /nfs/dbraw/zinc/05/85/63/569058563.db2.gz BPJFROUEJRVOCZ-UHFFFAOYSA-N 0 1 403.508 1.133 40 0 HDABMN O=S(=O)(N1CC[C@@H](c2cc(COc3cccc(F)c3)n[nH]2)C1)N1CCOCC1 ZINC000019704599 569347699 /nfs/dbraw/zinc/34/76/99/569347699.db2.gz XJJLINRDDFVWOD-CQSZACIVSA-N 0 1 410.471 1.494 40 0 HDABMN Cn1c(=O)c2ccc(C3CCC(CNC(=O)CN4CCCC4)CC3)nc2n(C)c1=O ZINC000019742985 569348771 /nfs/dbraw/zinc/34/87/71/569348771.db2.gz UMXVKQLXXWDLJJ-UHFFFAOYSA-N 0 1 413.522 1.118 40 0 HDABMN CN(C)c1ncccc1CN1CCC(c2ccc(C(=O)N3CCOCC3)c(N)n2)CC1 ZINC000019765762 569349068 /nfs/dbraw/zinc/34/90/68/569349068.db2.gz OWOOYYUMJCCTTJ-UHFFFAOYSA-N 0 1 424.549 1.977 40 0 HDABMN COc1cccc(NC(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2N(C)Cc2ccccc2)c1 ZINC000020465955 575368472 /nfs/dbraw/zinc/36/84/72/575368472.db2.gz APFSSVGQYAHOBT-PLACYPQZSA-N 0 1 415.490 1.438 40 0 biogenic,in-vitro HDABMN C[NH+]1CCN(C[C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000022926955 291193688 /nfs/dbraw/zinc/19/36/88/291193688.db2.gz AMIJHIYMJBXZCX-YTQUADARSA-N 0 1 400.523 1.103 40 0 biogenic,in-vitro HDABMN Cc1noc(C)c1CNC[C@]1(COc2ccc(S(C)(=O)=O)cc2)C[C@@H](O)[C@@H](O)C1 ZINC000107283939 291199142 /nfs/dbraw/zinc/19/91/42/291199142.db2.gz MJCROPLDRPEPCZ-PMOLBWCYSA-N 0 1 424.519 1.366 40 0 biogenic,in-vitro HDABMN O=C1[C@@H]2C[C@@H](O)CN2C2(CN(C3CCCCC3)C2)C(=O)N1Cc1ccccc1F ZINC000225390121 291201541 /nfs/dbraw/zinc/20/15/41/291201541.db2.gz QTGNEJFKMKBCIR-MJGOQNOKSA-N 0 1 401.482 1.517 40 0 biogenic,in-vitro HDABMN COc1ccc(C(=O)N2CC[C@@H](CC(=O)[O-])[C@@H](CC[N@H+]3CCC[C@H]3C(N)=O)C2)cc1 ZINC000020463019 523661814 /nfs/dbraw/zinc/66/18/14/523661814.db2.gz ZUDQVESKWOAZPP-LNLFQRSKSA-N 0 1 417.506 1.588 40 0 biogenic,in-vitro HDABMN CNC(=O)c1cc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)ccc1C ZINC000408613070 557531226 /nfs/dbraw/zinc/53/12/26/557531226.db2.gz ZTMVFZGCYCLMHE-UHFFFAOYSA-N 0 1 422.459 1.959 40 0 HDABMN CN1CCC(NS(=O)(=O)c2ccc3c(c2)C[C@H](NC(=O)C2CCCC2)C3)CC1 ZINC000019749572 558269282 /nfs/dbraw/zinc/26/92/82/558269282.db2.gz XFTXVYTUIHYZEJ-LJQANCHMSA-N 0 1 405.564 1.833 40 0 HDABMN Cc1ccc([C@H]2CN(C(=O)CN3CCC(C(N)=O)CC3)C[C@@H]2c2csnn2)cc1 ZINC000019212004 558848757 /nfs/dbraw/zinc/84/87/57/558848757.db2.gz DUNSAFLXRHEYPG-MSOLQXFVSA-N 0 1 413.547 1.753 40 0 HDABMN O=C(c1ccn[nH]1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)c1cccs1)CC2 ZINC000019342809 558872233 /nfs/dbraw/zinc/87/22/33/558872233.db2.gz BHVLPOHREICTPE-HNNXBMFYSA-N 0 1 424.486 1.730 40 0 HDABMN O=C(CCCn1cncn1)N1CCC[C@H](C2=Nc3ccccc3S(=O)(=O)N2)C1 ZINC000019375639 558881693 /nfs/dbraw/zinc/88/16/93/558881693.db2.gz QTULNCZAFZYOEG-AWEZNQCLSA-N 0 1 402.480 1.319 40 0 HDABMN Cc1c(S(=O)(=O)N2CCC(c3[nH]ncc3C(=O)N3CCCC3)CC2)cnn1C ZINC000019553853 558916780 /nfs/dbraw/zinc/91/67/80/558916780.db2.gz FDRFXQRRZVVTRZ-UHFFFAOYSA-N 0 1 406.512 1.256 40 0 HDABMN Cc1cc(NC(=O)[C@H](C)CN2CCOCC2)ccc1NC(=O)CN1CCOCC1 ZINC000019570974 558929752 /nfs/dbraw/zinc/92/97/52/558929752.db2.gz KDJHOUHKMFIUGS-QGZVFWFLSA-N 0 1 404.511 1.173 40 0 HDABMN COc1ccc2c(c1)C(=O)N[C@]1(CN(Cc3ccccn3)C[C@@H]1C(=O)N(C)C)CC2 ZINC000019580962 558936614 /nfs/dbraw/zinc/93/66/14/558936614.db2.gz DPHILDIXACQSJF-OFNKIYASSA-N 0 1 408.502 1.725 40 0 HDABMN O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2cc(C(=O)N3CCOCC3)[nH]n2)C1 ZINC000072380666 558968704 /nfs/dbraw/zinc/96/87/04/558968704.db2.gz LQFHDOZDEXZVRB-INIZCTEOSA-N 0 1 400.454 1.970 40 0 HDABMN O=C(COc1ccc(F)cc1)N1CCC[C@H](c2cc(C(=O)N3CCOCC3)[nH]n2)C1 ZINC000072380706 558968762 /nfs/dbraw/zinc/96/87/62/558968762.db2.gz UDSWNCOCQTWCKV-HNNXBMFYSA-N 0 1 416.453 1.806 40 0 HDABMN CNc1nc([C@@H]2CCCCN2C(=O)CN2CCCC2)nc2c1CN(C(C)=O)CC2 ZINC000019710262 558972178 /nfs/dbraw/zinc/97/21/78/558972178.db2.gz LERHOVRGTFZQRH-SFHVURJKSA-N 0 1 400.527 1.572 40 0 HDABMN COc1ncc(CN2C[C@@H](C(=O)NCC3CCOCC3)C[C@H]3OCC[C@H]32)cc1C ZINC000585108758 559030311 /nfs/dbraw/zinc/03/03/11/559030311.db2.gz XIVUZGJULNYAFS-XUVXKRRUSA-N 0 1 403.523 1.921 40 0 HDABMN CN(C)CCN1[C@]2(CCN(C(=O)NC3CCCC3)C2)c2ccccc2S1(=O)=O ZINC000096143083 559095756 /nfs/dbraw/zinc/09/57/56/559095756.db2.gz FPDRVPPIALVWSM-FQEVSTJZSA-N 0 1 406.552 1.806 40 0 HDABMN CCOC(=O)COc1ccc(/C=C2/NC(=O)NC2=O)cc1I ZINC000408918660 560654562 /nfs/dbraw/zinc/65/45/62/560654562.db2.gz NIKMRICAVOJWOU-UXBLZVDNSA-N 0 1 416.171 1.413 40 0 HDABMN CCC(=O)Nc1nnc(S(=O)(=O)NCc2cc(OC)c(OC)c(OC)c2)s1 ZINC000224457309 568581746 /nfs/dbraw/zinc/58/17/46/568581746.db2.gz GESKUVWPYIFLFT-UHFFFAOYSA-N 0 1 416.481 1.391 40 0 HDABMN Cc1c(S(=O)(=O)N2CCC[C@H](c3[nH]ncc3C(=O)N3CCCC3)C2)cnn1C ZINC000257208170 568778552 /nfs/dbraw/zinc/77/85/52/568778552.db2.gz BLAREQCGKUTKGY-AWEZNQCLSA-N 0 1 406.512 1.256 40 0 HDABMN O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCC(O)CC1)c1cccnc1 ZINC000257233646 568785776 /nfs/dbraw/zinc/78/57/76/568785776.db2.gz GQCLOBIMJFAQQE-CGXNFDGLSA-N 0 1 415.465 1.357 40 0 HDABMN CCN(CC)c1ccc(C(=O)N[C@@H]2CCCC[C@@H](N3CCOCC3)[C@@H]2O)c(O)c1 ZINC000257286388 568800475 /nfs/dbraw/zinc/80/04/75/568800475.db2.gz PLKKPNYWDBLOMT-SFHLNBCPSA-N 0 1 405.539 1.973 40 0 HDABMN Cc1c(C(=O)N2CCC[C@](O)(CN3CCOCC3)CC2)sc2[nH]cnc(=O)c12 ZINC000257288391 568801117 /nfs/dbraw/zinc/80/11/17/568801117.db2.gz PUADMOSVFOIYKK-LJQANCHMSA-N 0 1 406.508 1.395 40 0 HDABMN Cc1ccc2nc(CCC(=O)N3CC[C@@](C)(O)[C@H](n4ccc(=O)[nH]c4=O)C3)[nH]c2c1 ZINC000257294561 568802869 /nfs/dbraw/zinc/80/28/69/568802869.db2.gz QURVSCZHPMFNEX-IIBYNOLFSA-N 0 1 411.462 1.291 40 0 HDABMN Cc1ccc2[nH]c(C(=O)[O-])c(C[N@H+]3CCOC[C@@]4(Cc5c(nc(N)nc5N)O4)C3)c2c1 ZINC000257319913 568810466 /nfs/dbraw/zinc/81/04/66/568810466.db2.gz VUORYPVYGKKBDY-OAQYLSRUSA-N 0 1 424.461 1.335 40 0 HDABMN O=C(C1=NO[C@]2(C1)CN(C(=O)C1CC1)CC[C@@H]2NCc1ccccc1)N1CCCC1 ZINC000306127696 568890529 /nfs/dbraw/zinc/89/05/29/568890529.db2.gz GFCHZTHOPFYYDB-NZQKXSOJSA-N 0 1 410.518 1.925 40 0 HDABMN CCS(=O)(=O)N1CC[C@H](NCc2ccccc2)[C@@]2(CC(C(=O)NC(C)C)=NO2)C1 ZINC000306130449 568892898 /nfs/dbraw/zinc/89/28/98/568892898.db2.gz JGRZAOQJVVRRSZ-AZUAARDMSA-N 0 1 422.551 1.240 40 0 HDABMN CCS(=O)(=O)N1CC[C@H](NCc2ccccc2)[C@]2(CC(C(=O)NC(C)C)=NO2)C1 ZINC000306130450 568892953 /nfs/dbraw/zinc/89/29/53/568892953.db2.gz JGRZAOQJVVRRSZ-ICSRJNTNSA-N 0 1 422.551 1.240 40 0 HDABMN O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@@]1(CCN(Cc3ccco3)C1)C2 ZINC000306135996 568898049 /nfs/dbraw/zinc/89/80/49/568898049.db2.gz PGEPFIOWCYAHFP-OAQYLSRUSA-N 0 1 400.479 1.753 40 0 HDABMN NS(=O)(=O)c1ccc2c(c1)CN(c1cc(NCCCO)nc(C3CC3)n1)CC2 ZINC000328999338 568971937 /nfs/dbraw/zinc/97/19/37/568971937.db2.gz JWQOPVGQGNRINK-UHFFFAOYSA-N 0 1 403.508 1.358 40 0 HDABMN O=C([C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(COc2ccccc2)nn1)N1CCOCC1 ZINC000008298040 568988124 /nfs/dbraw/zinc/98/81/24/568988124.db2.gz PDJZRYVYSOHMMM-DSKINZAPSA-N 0 1 411.506 1.426 40 0 biogenic,in-vitro HDABMN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)N[C@@]21c2cc(Cl)ccc2NC1=O ZINC000016024971 569026257 /nfs/dbraw/zinc/02/62/57/569026257.db2.gz BXFSNOBRBARMKI-ZMGVQCICSA-N 0 1 418.881 1.124 40 0 HDABMN COc1cc(OC)cc(C(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)c1 ZINC000224317701 569057196 /nfs/dbraw/zinc/05/71/96/569057196.db2.gz FFWLINCTFWXYMK-UHFFFAOYSA-N 0 1 413.478 1.293 40 0 HDABMN CCc1ccc(S(=O)(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)cc1 ZINC000224333343 569058551 /nfs/dbraw/zinc/05/85/51/569058551.db2.gz BAFOUWJEEKJVRO-UHFFFAOYSA-N 0 1 417.535 1.387 40 0 HDABMN Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)c1 ZINC000224332839 569058582 /nfs/dbraw/zinc/05/85/82/569058582.db2.gz FASREDUMYMATJO-UHFFFAOYSA-N 0 1 417.535 1.441 40 0 HDABMN CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CCN(CC(=O)N3CCC3)C2)n1 ZINC000019695092 569346754 /nfs/dbraw/zinc/34/67/54/569346754.db2.gz AOYWLYVXYPQDNI-QGZVFWFLSA-N 0 1 408.506 1.330 40 0 HDABMN O=S(=O)(N1CC[C@H](c2cc(COc3ccc(F)cc3)n[nH]2)C1)N1CCOCC1 ZINC000019704598 569347725 /nfs/dbraw/zinc/34/77/25/569347725.db2.gz PWFZVMDVWLYTLC-AWEZNQCLSA-N 0 1 410.471 1.494 40 0 HDABMN Cc1nc(C2CCN(C(=O)c3ccc(N4CCN(C)CC4)cc3)CC2)ncc1C(N)=O ZINC000019766615 569349124 /nfs/dbraw/zinc/34/91/24/569349124.db2.gz CIDHSSDMINHZRP-UHFFFAOYSA-N 0 1 422.533 1.656 40 0 HDABMN COc1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N(C)CCc2ccccc2)cc1 ZINC000020465770 575368680 /nfs/dbraw/zinc/36/86/80/575368680.db2.gz VCDCAAIAMRKPNH-CLAROIROSA-N 0 1 414.502 1.089 40 0 biogenic,in-vitro HDABMN CC(=O)c1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccc3c(c2)OCO3)nn1 ZINC000008300116 291191492 /nfs/dbraw/zinc/19/14/92/291191492.db2.gz CENOZSSGAMHTHL-BBWFWOEESA-N 0 1 411.462 1.236 40 0 biogenic,in-vitro HDABMN Cc1cc(CNC(=O)[C@@H]2CCC[C@@H](NCc3nccs3)CN(C)C(=O)C2)no1 ZINC000225406779 291198289 /nfs/dbraw/zinc/19/82/89/291198289.db2.gz XMXDTFDRPFGGJW-HUUCEWRRSA-N 0 1 405.524 1.863 40 0 biogenic,in-vitro HDABMN CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029716254 525226707 /nfs/dbraw/zinc/22/67/07/525226707.db2.gz XBQYARPZAHTNAQ-UHFFFAOYSA-N 0 1 403.504 1.820 40 0 HDABMN CN1CC[NH+](CCCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000022933744 558525565 /nfs/dbraw/zinc/52/55/65/558525565.db2.gz QWKLRKMQWKOKKL-UHFFFAOYSA-N 0 1 416.547 1.855 40 0 HDABMN COc1ccc2c(c1)C(=O)N[C@]1(CN(Cc3ccncc3)C[C@@H]1C(=O)N(C)C)CC2 ZINC000019580968 558936566 /nfs/dbraw/zinc/93/65/66/558936566.db2.gz HLGCPXVAWJXXNP-OFNKIYASSA-N 0 1 408.502 1.725 40 0 HDABMN COc1ccc(S(=O)(=O)N2CCNC[C@@H](Cc3cc(N(C)C)ncn3)C2)cc1 ZINC000072355124 558952406 /nfs/dbraw/zinc/95/24/06/558952406.db2.gz CALQQUPWLDLKSN-OAHLLOKOSA-N 0 1 405.524 1.004 40 0 HDABMN COc1ccc(CC(=O)N2CCC[C@@H](c3cc(C(=O)N4CCOCC4)[nH]n3)C2)cc1 ZINC000072380689 558968768 /nfs/dbraw/zinc/96/87/68/558968768.db2.gz WDBFUYRXTMLVLF-QGZVFWFLSA-N 0 1 412.490 1.839 40 0 HDABMN COc1ncc([C@@]2(O)CC[C@@H]3CN(Cc4cnn5c4nc(C)cc5C)C[C@@H]32)c(OC)n1 ZINC000072395412 558974284 /nfs/dbraw/zinc/97/42/84/558974284.db2.gz BYAVCWRXTPUIRK-QRFQSNJMSA-N 0 1 424.505 1.883 40 0 HDABMN O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)CN2C2(CN(C3CCC(F)(F)CC3)C2)C1 ZINC000514288968 560033798 /nfs/dbraw/zinc/03/37/98/560033798.db2.gz HLMKAGASQDTORL-ZWKOTPCHSA-N 0 1 406.477 1.605 40 0 biogenic,in-vitro HDABMN O=C(NCCN1CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000042645574 560861301 /nfs/dbraw/zinc/86/13/01/560861301.db2.gz YBXQSFPZQLJOJZ-UHFFFAOYSA-N 0 1 415.943 1.577 40 0 HDABMN O=C(c1ccc(Cl)cc1)N1C[C@@H]2COCCN2C2(CN(CC3CCOCC3)C2)C1 ZINC000604381007 568489095 /nfs/dbraw/zinc/48/90/95/568489095.db2.gz AYDUTNBBZMCRLT-HXUWFJFHSA-N 0 1 419.953 1.978 40 0 biogenic,in-vitro HDABMN Cc1nnc(SCCNC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[nH]1 ZINC000222886874 568529589 /nfs/dbraw/zinc/52/95/89/568529589.db2.gz DSYWUJNOQBPFEG-UHFFFAOYSA-N 0 1 423.564 1.739 40 0 HDABMN COc1cccc(OCCNS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c1 ZINC000225155318 568618533 /nfs/dbraw/zinc/61/85/33/568618533.db2.gz AEOUGNCDCSNPQG-UHFFFAOYSA-N 0 1 400.482 1.499 40 0 HDABMN CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)COc2ccccc2OC)s1 ZINC000225434511 568637742 /nfs/dbraw/zinc/63/77/42/568637742.db2.gz WNLSIQSQMSLGQS-SNVBAGLBSA-N 0 1 400.482 1.641 40 0 HDABMN COC(=O)CSc1nnc(NC(=O)c2ccccc2NS(C)(=O)=O)s1 ZINC000225713992 568666880 /nfs/dbraw/zinc/66/68/80/568666880.db2.gz ZGCLSNIIXZSWBC-UHFFFAOYSA-N 0 1 402.479 1.427 40 0 HDABMN CCC(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3cccc(OC)c3)no2)s1 ZINC000225765126 568672391 /nfs/dbraw/zinc/67/23/91/568672391.db2.gz CZMFGZUCTUFOJD-UHFFFAOYSA-N 0 1 424.464 1.424 40 0 HDABMN CCN(CC(=O)NCCSc1nnc(C)[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000226056265 568692450 /nfs/dbraw/zinc/69/24/50/568692450.db2.gz PJKQUJNSVYWZPH-UHFFFAOYSA-N 0 1 401.489 1.171 40 0 HDABMN Cc1ccc2nc(COCC(=O)N3C[C@@H](O)[C@@H](Cc4cn5ccnc5cn4)C3)[nH]c2c1 ZINC000257248404 568789899 /nfs/dbraw/zinc/78/98/99/568789899.db2.gz JDMVDNWFQDWUBS-HNAYVOBHSA-N 0 1 420.473 1.493 40 0 HDABMN O=C(CN1CCCC1)N1CCC[C@@H](c2nn(CCNC(=O)C3CC3)c3ncccc23)C1 ZINC000257298525 568804067 /nfs/dbraw/zinc/80/40/67/568804067.db2.gz RMCIASKUVKBQQN-GOSISDBHSA-N 0 1 424.549 1.759 40 0 HDABMN O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@]1(CCN(Cc3ccncc3)C1)C2 ZINC000306137120 568898988 /nfs/dbraw/zinc/89/89/88/568898988.db2.gz QLZLAJWZGKCDBH-QFIPXVFZSA-N 0 1 411.506 1.555 40 0 HDABMN CN1CCN(Cc2ccccc2)C[C@H]1c1nnc2ccc(C(=O)N3CCOCC3)cn21 ZINC000306143207 568904776 /nfs/dbraw/zinc/90/47/76/568904776.db2.gz XWEACPINXKABSS-FQEVSTJZSA-N 0 1 420.517 1.690 40 0 HDABMN CCc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329070530 568975832 /nfs/dbraw/zinc/97/58/32/568975832.db2.gz ZHEKKKNERIMWDL-SFHVURJKSA-N 0 1 419.551 1.678 40 0 HDABMN COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC ZINC000008477252 569341583 /nfs/dbraw/zinc/34/15/83/569341583.db2.gz JUIJHOUUVKWSGF-NTEUORMPSA-N 0 1 402.403 1.651 40 0 HDABMN CC(C)c1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(NCCCO)n1 ZINC000328976513 571306476 /nfs/dbraw/zinc/30/64/76/571306476.db2.gz FOHLNVWKAQONMB-UHFFFAOYSA-N 0 1 405.524 1.604 40 0 HDABMN CN(Cc1ccccc1)[C@H]1[C@@H](CNC(=O)Nc2ccc(F)cc2F)O[C@@H](CO)[C@H]1O ZINC000020465948 575368647 /nfs/dbraw/zinc/36/86/47/575368647.db2.gz XJHBLSFTYYPUDY-FUMNGEBKSA-N 0 1 421.444 1.708 40 0 biogenic,in-vitro HDABMN COc1ccccc1CNC(=O)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(C(C)(C)O)nn1 ZINC000008298266 291197564 /nfs/dbraw/zinc/19/75/64/291197564.db2.gz DMUJHHHXLJFQQV-JQHSSLGASA-N 0 1 413.522 1.541 40 0 biogenic,in-vitro HDABMN COCCn1c2nc(C3CCN(Cc4ccccn4)CC3)ccc2c(=O)n(C)c1=O ZINC000019743030 558263318 /nfs/dbraw/zinc/26/33/18/558263318.db2.gz ULPYJKQUVPTHCH-UHFFFAOYSA-N 0 1 409.490 1.516 40 0 HDABMN CN1CCC(NS(=O)(=O)c2ccc3c(c2)C[C@@H](NC(=O)C2CCCC2)C3)CC1 ZINC000019749573 558269269 /nfs/dbraw/zinc/26/92/69/558269269.db2.gz XFTXVYTUIHYZEJ-IBGZPJMESA-N 0 1 405.564 1.833 40 0 HDABMN CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4cnc(OC)nc4)C[C@H]32)c(OCC)n1 ZINC000019531779 558912229 /nfs/dbraw/zinc/91/22/29/558912229.db2.gz UUEKCDJDXQRRLR-LUQKVYGDSA-N 0 1 415.494 1.802 40 0 HDABMN Cc1cc(NC(=O)[C@@H](C)CN2CCOCC2)ccc1NC(=O)CN1CCOCC1 ZINC000019570971 558929715 /nfs/dbraw/zinc/92/97/15/558929715.db2.gz KDJHOUHKMFIUGS-KRWDZBQOSA-N 0 1 404.511 1.173 40 0 HDABMN COc1cccc(OCCc2cc([C@H]3CCN(C(=O)CN4CCOCC4)C3)n[nH]2)c1 ZINC000072371430 558958179 /nfs/dbraw/zinc/95/81/79/558958179.db2.gz QYDLJVJPXDHQLE-KRWDZBQOSA-N 0 1 414.506 1.688 40 0 HDABMN CNc1nc([C@H]2CCCN(C)C2)nc2c1CCN(S(=O)(=O)c1c(C)noc1C)C2 ZINC000019708707 558970961 /nfs/dbraw/zinc/97/09/61/558970961.db2.gz JBORYXIRBMYWHW-AWEZNQCLSA-N 0 1 420.539 1.679 40 0 HDABMN CC(=O)O[C@@H]1CO[C@H](NC(=S)Oc2ccccc2)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000254514486 559281136 /nfs/dbraw/zinc/28/11/36/559281136.db2.gz NVMIWRCOWFDARZ-TWMKSMIVSA-N 0 1 411.432 1.091 40 0 HDABMN O=C([O-])c1cccc(C[N@@H+]2C[C@H]3C[C@@H](O)CN3C3(CN(Cc4cccnc4)C3)C2)c1 ZINC000514290281 560030030 /nfs/dbraw/zinc/03/00/30/560030030.db2.gz WFNVPVXVHJYFQL-NHCUHLMSSA-N 0 1 408.502 1.285 40 0 biogenic,in-vitro HDABMN O=C([O-])c1cccc(CN2C[C@H]3C[C@@H](O)C[N@H+]3C3(CN(Cc4cccnc4)C3)C2)c1 ZINC000514290281 560030031 /nfs/dbraw/zinc/03/00/31/560030031.db2.gz WFNVPVXVHJYFQL-NHCUHLMSSA-N 0 1 408.502 1.285 40 0 biogenic,in-vitro HDABMN O=C([O-])c1cccc(CN2C[C@H]3C[C@@H](O)C[N@@H+]3C3(CN(Cc4cccnc4)C3)C2)c1 ZINC000514290281 560030032 /nfs/dbraw/zinc/03/00/32/560030032.db2.gz WFNVPVXVHJYFQL-NHCUHLMSSA-N 0 1 408.502 1.285 40 0 biogenic,in-vitro HDABMN COc1cc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2cccnc2)ccc1O ZINC000011859159 560775192 /nfs/dbraw/zinc/77/51/92/560775192.db2.gz KYUZLWFKQNZOHE-JJRVBVJISA-N 0 1 411.336 1.900 40 0 HDABMN O=C(CN1CCCCC1)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCOCC1 ZINC000257222403 568782748 /nfs/dbraw/zinc/78/27/48/568782748.db2.gz DTDJVDXBLKKDBA-WKDRNLAYSA-N 0 1 421.513 1.009 40 0 HDABMN CC(=O)N1CCN([C@H]2CCN(C(=O)c3[nH]c4ccc(F)cc4c3C)CC[C@@H]2O)CC1 ZINC000257237662 568786982 /nfs/dbraw/zinc/78/69/82/568786982.db2.gz HHNFDVHMVNZHKZ-PMACEKPBSA-N 0 1 416.497 1.745 40 0 HDABMN CN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000257243722 568788432 /nfs/dbraw/zinc/78/84/32/568788432.db2.gz IIGMDHIKIAUQJO-QZTJIDSGSA-N 0 1 423.517 1.866 40 0 HDABMN Cc1c(C)n(C)c2ccc(NC(=O)[C@H]3CN(C(=O)C4=NC(=O)NC4)CCN3C)cc12 ZINC000257249068 568790212 /nfs/dbraw/zinc/79/02/12/568790212.db2.gz JGPIGMQJAMTWKC-GOSISDBHSA-N 0 1 410.478 1.619 40 0 HDABMN CCN1CCN(CC(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(N)=O)C2)CC1 ZINC000257278822 568798075 /nfs/dbraw/zinc/79/80/75/568798075.db2.gz ODUNGTYAHWUBTC-LPHOPBHVSA-N 0 1 422.957 1.449 40 0 HDABMN O=C(c1cn[nH]c1[C@H]1CCCN(C(=O)[C@@H]2OCCc3ccccc32)C1)N1CCOCC1 ZINC000257316816 568809410 /nfs/dbraw/zinc/80/94/10/568809410.db2.gz VHDDZAHHRPUYMY-LAUBAEHRSA-N 0 1 424.501 1.902 40 0 HDABMN Cn1cc(CN2CC[C@@]3(C2)Cn2c(nnc2C(=O)NC2CCCCC2)CN3C)cn1 ZINC000306137192 568899130 /nfs/dbraw/zinc/89/91/30/568899130.db2.gz QOGDYMORKQCZRL-OAQYLSRUSA-N 0 1 412.542 1.164 40 0 HDABMN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C)N[C@]21C(=O)Nc2ccc(Br)cc21 ZINC000016022169 569026099 /nfs/dbraw/zinc/02/60/99/569026099.db2.gz USHOXFDLHHVRMJ-WNHURAKMSA-N 0 1 406.280 1.988 40 0 HDABMN COc1ccc(CN[C@@H]2CO[C@H](CNS(=O)(=O)c3ccc(C)cc3)[C@H]2O)cc1 ZINC000077264767 291196807 /nfs/dbraw/zinc/19/68/07/291196807.db2.gz XCKIXKPFYNCGSH-AQNXPRMDSA-N 0 1 406.504 1.200 40 0 biogenic,in-vitro HDABMN Cn1c(CN[C@@H]2[C@@H](c3ccc(N4CCOCC4)nc3)C[C@@H](O)[C@H]2O)nc2ccccc21 ZINC000077262017 291199097 /nfs/dbraw/zinc/19/90/97/291199097.db2.gz HAFOFDKSXNAZMD-BGACZQCLSA-N 0 1 423.517 1.172 40 0 biogenic,in-vitro HDABMN Cc1cccnc1CNC[C@H]1O[C@@H]2C[C@@H](CC(=O)N3CCC(F)(F)C3)O[C@@H]2[C@@H]1O ZINC000225518451 291199106 /nfs/dbraw/zinc/19/91/06/291199106.db2.gz IRVZIZKKCVJMDM-ZLJHSHKTSA-N 0 1 411.449 1.023 40 0 biogenic,in-vitro HDABMN CS(=O)(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccccn4)CC3)ccc21 ZINC000012291471 132358054 /nfs/dbraw/zinc/35/80/54/132358054.db2.gz XAHJKFZWJCLNHS-HXUWFJFHSA-N 0 1 416.547 1.649 40 0 HDABMN CN(C)CC(=O)N1CCC(Cc2nn(C)cc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000019758581 524042878 /nfs/dbraw/zinc/04/28/78/524042878.db2.gz AHYBRZULFTXFQB-UHFFFAOYSA-N 0 1 415.513 1.832 40 0 HDABMN O=C([C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCN(C2CCCC2)CC1 ZINC000019748131 558267477 /nfs/dbraw/zinc/26/74/77/558267477.db2.gz ONBQITJXEFLBCF-MRXNPFEDSA-N 0 1 409.527 1.923 40 0 HDABMN O=C(OCc1ccccc1)[C@@]12SCCN1C(=O)C2N1C(=O)c2ccccc2C1=O ZINC000016921506 558809207 /nfs/dbraw/zinc/80/92/07/558809207.db2.gz NVRCDVLPCQPRIE-IIBYNOLFSA-N 0 1 408.435 1.680 40 0 HDABMN O=c1c2cnc3ncnn3c2ccn1-c1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000038784110 558815685 /nfs/dbraw/zinc/81/56/85/558815685.db2.gz AGFMTDVJIOSINZ-UHFFFAOYSA-N 0 1 420.414 1.019 40 0 HDABMN CCCN1CCN(CC(=O)Nc2ccc([C@H]3NC(=O)c4cccnc4N3C)cc2)CC1 ZINC000019503471 558900528 /nfs/dbraw/zinc/90/05/28/558900528.db2.gz SXHJEDCDLODRDK-NRFANRHFSA-N 0 1 422.533 1.926 40 0 HDABMN COc1cc2ncn(CC3(O)CCN(Cc4ccccn4)CC3)c(=O)c2cc1OC ZINC000019550891 558915406 /nfs/dbraw/zinc/91/54/06/558915406.db2.gz WZKIBGPENXZCTJ-UHFFFAOYSA-N 0 1 410.474 1.836 40 0 HDABMN CC(=O)N1CCC2(CC1)NC(=O)N(C1CCN(Cc3cccc(F)c3)CC1)C2=O ZINC000019699339 558966568 /nfs/dbraw/zinc/96/65/68/558966568.db2.gz QDCHTRNRKNADKH-UHFFFAOYSA-N 0 1 402.470 1.723 40 0 HDABMN CN1CCN(Cc2ccccc2)C[C@@H]1c1nnc2ccc(C(=O)N3CCOCC3)cn21 ZINC000096156630 559100586 /nfs/dbraw/zinc/10/05/86/559100586.db2.gz XWEACPINXKABSS-HXUWFJFHSA-N 0 1 420.517 1.690 40 0 HDABMN CC(C)C(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CCN(C)C)[C@H]2CC1 ZINC000096263968 559107343 /nfs/dbraw/zinc/10/73/43/559107343.db2.gz WBEHTBGQGGCSBF-IRXDYDNUSA-N 0 1 409.552 1.647 40 0 HDABMN CC(=O)N1CCC(N2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)c(C)c3)C2)CC1 ZINC000585283045 559120493 /nfs/dbraw/zinc/12/04/93/559120493.db2.gz OZDUELINVPGURS-QFIPXVFZSA-N 0 1 421.513 1.419 40 0 HDABMN COc1ccc(CNC[C@@]2(O)CN(C(=O)c3ccccc3)CC[C@@H]2O)c(OC)c1 ZINC000585286138 559121874 /nfs/dbraw/zinc/12/18/74/559121874.db2.gz WIPNFBAIQHVEBB-RBBKRZOGSA-N 0 1 400.475 1.432 40 0 HDABMN O=C1CO[C@H]2C[N@H+]([C@H]3CCC[C@@H](Oc4ccccc4)[C@@H]3O)C[C@@H]2N1C1CCOCC1 ZINC000585288953 559122311 /nfs/dbraw/zinc/12/23/11/559122311.db2.gz LQZFSQXQVBRHJZ-KHYDEXNFSA-N 0 1 416.518 1.438 40 0 HDABMN COc1ccc(CNC[C@]2(O)CN(C(=O)CCc3ccccc3)C[C@H]2O)c(OC)c1 ZINC000585291120 559123656 /nfs/dbraw/zinc/12/36/56/559123656.db2.gz KXIKTXFLWKTWBA-GGAORHGYSA-N 0 1 414.502 1.360 40 0 HDABMN O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000004751401 568420019 /nfs/dbraw/zinc/42/00/19/568420019.db2.gz BIFWRLIMBVQLOC-JYISGYRJSA-N 0 1 417.421 1.847 40 0 HDABMN COc1cccc(C(=O)N2C[C@@H]3COCCN3C3(CN(CC4CCOCC4)C3)C2)c1 ZINC000604382054 568489446 /nfs/dbraw/zinc/48/94/46/568489446.db2.gz BEEOQYOOXUUVIX-HXUWFJFHSA-N 0 1 415.534 1.333 40 0 biogenic,in-vitro HDABMN CCC(=O)Nc1nnc(S(=O)(=O)NCc2cccc(N3CCCC3=O)c2)s1 ZINC000223931798 568563384 /nfs/dbraw/zinc/56/33/84/568563384.db2.gz YVVZJMXGBXDZRL-UHFFFAOYSA-N 0 1 409.493 1.492 40 0 HDABMN CCC(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3ccc(C)cc3)no2)s1 ZINC000224104198 568570098 /nfs/dbraw/zinc/57/00/98/568570098.db2.gz WUASVLFSNARWMN-UHFFFAOYSA-N 0 1 408.465 1.724 40 0 HDABMN CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCSc2nnc(C)[nH]2)cc1 ZINC000226044315 568691779 /nfs/dbraw/zinc/69/17/79/568691779.db2.gz LHMVHTARMIGCEK-UHFFFAOYSA-N 0 1 413.525 1.041 40 0 HDABMN CN1C[C@@H](C(=O)N2CCC(c3[nH]ncc3C(=O)N3CCCCCC3)CC2)CC1=O ZINC000257308496 568806889 /nfs/dbraw/zinc/80/68/89/568806889.db2.gz TWXPZKGPFJUVKL-INIZCTEOSA-N 0 1 401.511 1.610 40 0 HDABMN O=C(C1=NO[C@@]2(C1)CN(C(=O)C1CC1)CC[C@H]2NCc1ccccc1)N1CCCC1 ZINC000306127697 568890434 /nfs/dbraw/zinc/89/04/34/568890434.db2.gz GFCHZTHOPFYYDB-OFNKIYASSA-N 0 1 410.518 1.925 40 0 HDABMN CC(C)c1nc(N[C@H](C)CO)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1 ZINC000328972155 568970568 /nfs/dbraw/zinc/97/05/68/568970568.db2.gz DUKWWFBYGNOOQI-CYBMUJFWSA-N 0 1 405.524 1.603 40 0 HDABMN O=C(Nc1ccc(F)cc1F)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 ZINC000224323755 569057442 /nfs/dbraw/zinc/05/74/42/569057442.db2.gz YAUDPWIPTYCREC-UHFFFAOYSA-N 0 1 404.421 1.946 40 0 HDABMN CC(C)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)NCCCc2nc4ccc(F)cc4[nH]2)[C@H]3C1=O ZINC000248157186 569316594 /nfs/dbraw/zinc/31/65/94/569316594.db2.gz JBNCMHHBTDEROA-NSAZKJPHSA-N 0 1 412.465 1.941 40 0 HDABMN CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC000019694757 569346649 /nfs/dbraw/zinc/34/66/49/569346649.db2.gz ZOJNATOTYMWJOF-SFHVURJKSA-N 0 1 422.533 1.720 40 0 HDABMN CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](CNCc3cnccc3C(F)(F)F)[C@@H](O)[C@H]2O1 ZINC000225513136 291191896 /nfs/dbraw/zinc/19/18/96/291191896.db2.gz BAZSAIQFFXVCBO-UUWMRLDISA-N 0 1 417.428 1.391 40 0 biogenic,in-vitro HDABMN COc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3CN2CCOCC2)cc1 ZINC000095252499 291197011 /nfs/dbraw/zinc/19/70/11/291197011.db2.gz DFSCBSCYZADZKE-OKZBNKHCSA-N 0 1 409.552 1.016 40 0 biogenic,in-vitro HDABMN O=C(Nc1cccc(C(F)(F)F)c1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCCC2)[C@H]1O ZINC000012529659 291200493 /nfs/dbraw/zinc/20/04/93/291200493.db2.gz SXSPWVXQMRGSGU-DGXTUMSLSA-N 0 1 401.385 1.776 40 0 biogenic,in-vitro HDABMN O=C1[C@@H]2C[C@@H](O)CN2C2(CN(C3CCCC3)C2)C(=O)N1Cc1ccccc1Cl ZINC000225440592 291201552 /nfs/dbraw/zinc/20/15/52/291201552.db2.gz LVAXRLAKRRLHPT-AEFFLSMTSA-N 0 1 403.910 1.641 40 0 biogenic,in-vitro HDABMN CS(=O)(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4ccccn4)CC3)ccc21 ZINC000012291467 132358033 /nfs/dbraw/zinc/35/80/33/132358033.db2.gz XAHJKFZWJCLNHS-FQEVSTJZSA-N 0 1 416.547 1.649 40 0 HDABMN COC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)c3ccco3)CC2)N[C@H]1c1ccccc1 ZINC000010157534 557856707 /nfs/dbraw/zinc/85/67/07/557856707.db2.gz OGKOVXMAWDAPES-IRXDYDNUSA-N 0 1 410.430 1.054 40 0 HDABMN Cc1cc(CN(C)C(=O)Cn2cccc(C(=O)NCc3ccc(F)cc3)c2=O)n[nH]1 ZINC000019750009 558270117 /nfs/dbraw/zinc/27/01/17/558270117.db2.gz KBXFQWKUURUULN-UHFFFAOYSA-N 0 1 411.437 1.608 40 0 HDABMN CCc1c2c(cc(=O)n1N1CC[NH+](C)CC1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000013957593 558607976 /nfs/dbraw/zinc/60/79/76/558607976.db2.gz NZTATZGYYCOWNR-UHFFFAOYSA-N 0 1 410.503 1.536 40 0 HDABMN COc1ccc(S(=O)(=O)N2CCNC[C@H](Cc3cc(N(C)C)ncn3)C2)cc1 ZINC000072355125 558952391 /nfs/dbraw/zinc/95/23/91/558952391.db2.gz CALQQUPWLDLKSN-HNNXBMFYSA-N 0 1 405.524 1.004 40 0 HDABMN CNc1cc(CN(C)C)nc(C2CCN(C(=O)CCCN3CCCC3=O)CC2)n1 ZINC000019710153 558971835 /nfs/dbraw/zinc/97/18/35/558971835.db2.gz ASVWAMFUSBZVGN-UHFFFAOYSA-N 0 1 402.543 1.689 40 0 HDABMN Cc1cc(CN2CCO[C@]3(CO[C@@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)n[nH]1 ZINC000585102173 559025428 /nfs/dbraw/zinc/02/54/28/559025428.db2.gz IOLOAOJEONPNSJ-QUCCMNQESA-N 0 1 406.433 1.673 40 0 HDABMN COc1cc2c(cc1NS(C)(=O)=O)c1c(n2S(C)(=O)=O)CC(C)(C)CC1=O ZINC000005516212 560604174 /nfs/dbraw/zinc/60/41/74/560604174.db2.gz JFJQORNRUKFZOE-UHFFFAOYSA-N 0 1 414.505 1.984 40 0 HDABMN COCCN1C(=O)[C@H]2[C@@H](CC(C)C)N[C@]3(C(=O)Nc4c3cccc4Cl)[C@@H]2C1=O ZINC000103516996 560734055 /nfs/dbraw/zinc/73/40/55/560734055.db2.gz IXFIEDYTXCYCOX-XGKMFUNXSA-N 0 1 405.882 1.753 40 0 HDABMN Cc1nnc(SCCNC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[nH]1 ZINC000222897345 568529994 /nfs/dbraw/zinc/52/99/94/568529994.db2.gz CLNHLXZTEDBVLY-UHFFFAOYSA-N 0 1 409.537 1.395 40 0 HDABMN CCC(=O)Nc1nnc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)s1 ZINC000223773952 568558720 /nfs/dbraw/zinc/55/87/20/568558720.db2.gz LKJGOWONHKCKEU-UHFFFAOYSA-N 0 1 400.482 1.425 40 0 HDABMN COc1ccc(CCNS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1OC ZINC000225321395 568629492 /nfs/dbraw/zinc/62/94/92/568629492.db2.gz ZVXMYEYRLQUWMP-UHFFFAOYSA-N 0 1 414.509 1.671 40 0 HDABMN CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)COc2ccc(OC)cc2)s1 ZINC000225849694 568680552 /nfs/dbraw/zinc/68/05/52/568680552.db2.gz SPKWOOCARZXSHU-JTQLQIEISA-N 0 1 400.482 1.641 40 0 HDABMN Cc1nnc(SCCNC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(F)cc2)[nH]1 ZINC000225943283 568688063 /nfs/dbraw/zinc/68/80/63/568688063.db2.gz URDBMFHXRMZZNA-CYBMUJFWSA-N 0 1 401.489 1.141 40 0 HDABMN COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3cn[nH]c3)[C@H](N3CCCCC3)[C@H]2O)c1 ZINC000257235861 568786603 /nfs/dbraw/zinc/78/66/03/568786603.db2.gz GZWOELFPNVDSKT-ZRNYENFQSA-N 0 1 400.479 1.583 40 0 HDABMN CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CN(C(=O)CN4CCCC4)CCO3)c2)cn1 ZINC000257250237 568790340 /nfs/dbraw/zinc/79/03/40/568790340.db2.gz JLRWCOMJCAOSDK-NRFANRHFSA-N 0 1 423.517 1.807 40 0 HDABMN CN1C[C@@H](C(=O)NCCc2ccccc2)OC2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000306127019 568889781 /nfs/dbraw/zinc/88/97/81/568889781.db2.gz FLQPEEDWDYTKHF-FQEVSTJZSA-N 0 1 411.502 1.944 40 0 HDABMN CCS(=O)(=O)N1CC[C@@H](NCc2ccccc2)[C@]2(CC(C(=O)NC(C)C)=NO2)C1 ZINC000306130451 568892986 /nfs/dbraw/zinc/89/29/86/568892986.db2.gz JGRZAOQJVVRRSZ-QUCCMNQESA-N 0 1 422.551 1.240 40 0 HDABMN COc1ccc(C(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)cc1OC ZINC000224328375 569057426 /nfs/dbraw/zinc/05/74/26/569057426.db2.gz LNNVCTKNVUKBQS-UHFFFAOYSA-N 0 1 413.478 1.293 40 0 HDABMN COc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)C(=O)NC1=S ZINC000008169230 569339804 /nfs/dbraw/zinc/33/98/04/569339804.db2.gz KHFJJKQDHNADKG-WYMLVPIESA-N 0 1 413.455 1.956 40 0 HDABMN O=S(=O)(N1CC[C@H](c2cc(COc3cccc(F)c3)n[nH]2)C1)N1CCOCC1 ZINC000019704600 569347719 /nfs/dbraw/zinc/34/77/19/569347719.db2.gz XJJLINRDDFVWOD-AWEZNQCLSA-N 0 1 410.471 1.494 40 0 HDABMN CN1CC=CCC2(CCN(CC(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)C1=O ZINC000019744749 569348725 /nfs/dbraw/zinc/34/87/25/569348725.db2.gz VVPYBDZQJKHMNN-UHFFFAOYSA-N 0 1 414.525 1.975 40 0 HDABMN CN1[C@@H]2CCN(Cc3ccccc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1cccnc1 ZINC000022920814 291194223 /nfs/dbraw/zinc/19/42/23/291194223.db2.gz PZABXZWPQBIMBH-XJUOHMSHSA-N 0 1 421.545 1.551 40 0 biogenic,in-vitro HDABMN C[C@@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(C(=O)COc3ccccc3)CCN21 ZINC000253397189 291198170 /nfs/dbraw/zinc/19/81/70/291198170.db2.gz FJZVUUUTQUZGHA-QPPBQGQZSA-N 0 1 409.530 1.845 40 0 biogenic,in-vitro HDABMN CC(C)[N@H+]1CCc2nc3cc([C@H]4CCCN(S(=O)(=O)N(C)C)C4)[n-]n3c(=O)c2C1 ZINC000019448103 558886706 /nfs/dbraw/zinc/88/67/06/558886706.db2.gz BWWPLPVZRPSPSU-AWEZNQCLSA-N 0 1 422.555 1.187 40 0 HDABMN CC(C)c1cc(C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CC3)C4)C2)n[nH]1 ZINC000019451739 558889637 /nfs/dbraw/zinc/88/96/37/558889637.db2.gz GFVQUGMWUHTZNJ-CQSZACIVSA-N 0 1 424.505 1.541 40 0 HDABMN C[C@@H]1CN(CC(=O)NCCn2nc(-c3ccccc3F)cc2CN(C)C)C[C@@H](C)O1 ZINC000019497458 558896309 /nfs/dbraw/zinc/89/63/09/558896309.db2.gz OWUSTDYIANUGPL-IAGOWNOFSA-N 0 1 417.529 1.976 40 0 HDABMN CCCN1CCN(CC(=O)Nc2ccc([C@@H]3NC(=O)c4cccnc4N3C)cc2)CC1 ZINC000019503469 558900520 /nfs/dbraw/zinc/90/05/20/558900520.db2.gz SXHJEDCDLODRDK-OAQYLSRUSA-N 0 1 422.533 1.926 40 0 HDABMN CCSc1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)cn1 ZINC000019520525 558901432 /nfs/dbraw/zinc/90/14/32/558901432.db2.gz UNDOSAITFRMHOV-MRXNPFEDSA-N 0 1 416.551 1.888 40 0 HDABMN COc1cc(C[N@@H+]2CCc3nc(-c4cnccn4)[n-]c(=O)c3CC2)cc(OC)c1OC ZINC000019549894 558914711 /nfs/dbraw/zinc/91/47/11/558914711.db2.gz KWXPGNXHGBSKIN-UHFFFAOYSA-N 0 1 423.473 1.854 40 0 HDABMN COc1cc(C[N@H+]2CCc3nc(-c4cnccn4)[n-]c(=O)c3CC2)cc(OC)c1OC ZINC000019549894 558914714 /nfs/dbraw/zinc/91/47/14/558914714.db2.gz KWXPGNXHGBSKIN-UHFFFAOYSA-N 0 1 423.473 1.854 40 0 HDABMN Cc1sc2ncn(CC3(O)CCN(CC(=O)NC(C)(C)C)CC3)c(=O)c2c1C ZINC000019561459 558922194 /nfs/dbraw/zinc/92/21/94/558922194.db2.gz ZDTBGYAUGITGRC-UHFFFAOYSA-N 0 1 406.552 1.816 40 0 HDABMN Cc1nc2[n-]cnn2c(=O)c1CCC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000019718571 558982036 /nfs/dbraw/zinc/98/20/36/558982036.db2.gz ATWDCFJCWLXDCJ-UHFFFAOYSA-N 0 1 400.527 1.964 40 0 HDABMN Cc1cc(CN2CCO[C@@]3(CO[C@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)n[nH]1 ZINC000585102171 559025420 /nfs/dbraw/zinc/02/54/20/559025420.db2.gz IOLOAOJEONPNSJ-AZUAARDMSA-N 0 1 406.433 1.673 40 0 HDABMN CCN1CC[C@@]2(CN(c3ncccn3)CC23CCN(Cc2cnn(C)c2)CC3)C1=O ZINC000096036439 559090151 /nfs/dbraw/zinc/09/01/51/559090151.db2.gz OOFRCPWQYGLOJH-JOCHJYFZSA-N 0 1 409.538 1.551 40 0 HDABMN Cc1ccc(CNC(=O)c2ccc3ccc(N4CCN(C(=O)CN(C)C)CC4)n3c2)o1 ZINC000096156015 559100102 /nfs/dbraw/zinc/10/01/02/559100102.db2.gz UFMIIXJVXDQMIC-UHFFFAOYSA-N 0 1 423.517 1.981 40 0 HDABMN CN(Cc1ccccn1)C(=O)c1ccc2c(c1)[C@@H](c1nc[nH]n1)CN2S(C)(=O)=O ZINC000096156434 559100462 /nfs/dbraw/zinc/10/04/62/559100462.db2.gz OOWZSQBYMYBJQU-INIZCTEOSA-N 0 1 412.475 1.383 40 0 HDABMN COc1ccc(CNC[C@@]2(O)CCN(C(=O)Cc3ccccc3)C[C@@H]2O)c(OC)c1 ZINC000585284601 559121292 /nfs/dbraw/zinc/12/12/92/559121292.db2.gz MCBUBBBRBVUUIR-GMAHTHKFSA-N 0 1 414.502 1.360 40 0 HDABMN COCCN1C(=O)[C@H]2[C@@H](CCSC)N[C@@]3(C(=O)Nc4c3cccc4Cl)[C@@H]2C1=O ZINC000103516152 559156045 /nfs/dbraw/zinc/15/60/45/559156045.db2.gz IISFTMMHVZGFKS-UMCXVIDHSA-N 0 1 423.922 1.460 40 0 HDABMN COCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(N[C@H]2CC(C)C)C(=O)Nc2c1cccc2Cl ZINC000103516997 560734159 /nfs/dbraw/zinc/73/41/59/560734159.db2.gz IXFIEDYTXCYCOX-KZDUYQQSSA-N 0 1 405.882 1.753 40 0 HDABMN CCC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)s1 ZINC000223109047 568537836 /nfs/dbraw/zinc/53/78/36/568537836.db2.gz FPQUDJJXILWVEF-UHFFFAOYSA-N 0 1 423.520 1.488 40 0 HDABMN CCC(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3ccccc3C)no2)s1 ZINC000223258445 568542936 /nfs/dbraw/zinc/54/29/36/568542936.db2.gz FCUXHVYZHPHIHS-UHFFFAOYSA-N 0 1 408.465 1.724 40 0 HDABMN COc1cccc(OCCNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c1 ZINC000225155764 568618636 /nfs/dbraw/zinc/61/86/36/568618636.db2.gz IYITXCDBNPVYQZ-UHFFFAOYSA-N 0 1 414.509 1.889 40 0 HDABMN C[C@@H]1CN(c2ncc3c(n2)[C@@]2(CCN(Cc4ccc(CO)o4)C2)COC3)C[C@@H](C)O1 ZINC000253604063 568755055 /nfs/dbraw/zinc/75/50/55/568755055.db2.gz QAGKQZHCTZIBJR-XCGNWRKASA-N 0 1 414.506 1.849 40 0 HDABMN CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)c1ccc(N2CCN(C)CC2)cc1 ZINC000257228209 568784374 /nfs/dbraw/zinc/78/43/74/568784374.db2.gz FSUTXXYCORWEJK-QHCPKHFHSA-N 0 1 424.549 1.332 40 0 HDABMN CNC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc3nc(C)[nH]c3c2)C1 ZINC000257269520 568795627 /nfs/dbraw/zinc/79/56/27/568795627.db2.gz MQIRUDACFAAZMJ-JOCHJYFZSA-N 0 1 406.490 1.985 40 0 HDABMN CCCCc1cc(C(=O)N2CCC[C@@](O)(CN3CCN(C(C)=O)CC3)CC2)[nH]n1 ZINC000257303851 568805625 /nfs/dbraw/zinc/80/56/25/568805625.db2.gz SIZWAFAESYJILB-NRFANRHFSA-N 0 1 405.543 1.274 40 0 HDABMN Cn1ccc(C(=O)N2CCC3(CC2)CN(C)C[C@@H](C(=O)NCc2cccs2)O3)n1 ZINC000306137177 568899122 /nfs/dbraw/zinc/89/91/22/568899122.db2.gz QNVAXDJITUINGR-KRWDZBQOSA-N 0 1 417.535 1.103 40 0 HDABMN Cc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(N[C@H](CO)C(C)C)n1 ZINC000329033375 568973810 /nfs/dbraw/zinc/97/38/10/568973810.db2.gz QUDIDNXLQADUQN-QGZVFWFLSA-N 0 1 405.524 1.424 40 0 HDABMN CCc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(N[C@H](CO)C(C)C)n1 ZINC000329070523 568975927 /nfs/dbraw/zinc/97/59/27/568975927.db2.gz ZHEKKKNERIMWDL-GOSISDBHSA-N 0 1 419.551 1.678 40 0 HDABMN COc1ccc(S(=O)(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)cc1OC ZINC000224346573 569059508 /nfs/dbraw/zinc/05/95/08/569059508.db2.gz XOSOYDNDMDGETF-UHFFFAOYSA-N 0 1 423.495 1.197 40 0 HDABMN COC(=O)c1cn(C[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C(=O)NCc2ccccc2OC)nn1 ZINC000008299851 291194852 /nfs/dbraw/zinc/19/48/52/291194852.db2.gz OJPRDSQEFMYPHJ-UAGQMJEPSA-N 0 1 413.478 1.100 40 0 biogenic,in-vitro HDABMN Cn1ccnc1CNC[C@@]1(COc2ccc(C(F)(F)F)cn2)C[C@@H](O)[C@@H](O)C1 ZINC000107430420 291199206 /nfs/dbraw/zinc/19/92/06/291199206.db2.gz ITZUDUOUTZOEPT-XOIINTDNSA-N 0 1 400.401 1.505 40 0 biogenic,in-vitro HDABMN O=C1N[C@]2(CC[C@@H]3CN(Cc4cnc(N5CCOCC5)nc4)C[C@@H]32)Nc2ccccc21 ZINC000012086062 132353541 /nfs/dbraw/zinc/35/35/41/132353541.db2.gz JXNSVQYADZZNAP-FHJLPGHOSA-N 0 1 420.517 1.707 40 0 HDABMN CCC(=O)Nc1nnc(S(=O)(=O)NCCCc2ccc(OC)c(OC)c2)s1 ZINC000225759266 521230835 /nfs/dbraw/zinc/23/08/35/521230835.db2.gz PYLODUYLHYTDIE-UHFFFAOYSA-N 0 1 414.509 1.815 40 0 HDABMN CN(C)S(=O)(=O)N1CC[C@@H](c2cc(CCOc3ccc(F)c(F)c3)n[nH]2)C1 ZINC000072371324 558957911 /nfs/dbraw/zinc/95/79/11/558957911.db2.gz WQJHVIMYLODSHR-GFCCVEGCSA-N 0 1 400.451 1.905 40 0 HDABMN COc1ccccc1OCCc1cc([C@@H]2CCN(C(=O)CN3CCOCC3)C2)n[nH]1 ZINC000072371427 558958195 /nfs/dbraw/zinc/95/81/95/558958195.db2.gz GCXMANMKHIEURL-QGZVFWFLSA-N 0 1 414.506 1.688 40 0 HDABMN C[C@H](CN1CCOCC1)C(=O)N1CCC(c2ccc(C(=O)NCC3CC3)cn2)CC1 ZINC000019705785 558968124 /nfs/dbraw/zinc/96/81/24/558968124.db2.gz BTDGAACOBPBATN-QGZVFWFLSA-N 0 1 414.550 1.896 40 0 HDABMN CNc1nc([C@H]2CCCN(CC(=O)Nc3ccc(OC)cc3)C2)nc2c1CNCC2 ZINC000019710470 558972569 /nfs/dbraw/zinc/97/25/69/558972569.db2.gz IAEAQPZRTMMWJN-HNNXBMFYSA-N 0 1 410.522 1.991 40 0 HDABMN O=C(c1cnn(-c2ccccc2)c1)N1CCC[C@@]2(C1)COCCN(Cc1c[nH]nn1)C2 ZINC000096076444 559094629 /nfs/dbraw/zinc/09/46/29/559094629.db2.gz OHDDORSAHSSSEL-JOCHJYFZSA-N 0 1 421.505 1.745 40 0 HDABMN CN(C)C(=O)N1CCN(c2ccc3ccc(C(=O)N4CCCN(C)CC4)cn32)CC1 ZINC000096267394 559108076 /nfs/dbraw/zinc/10/80/76/559108076.db2.gz COIZDTFJCUXMRW-UHFFFAOYSA-N 0 1 412.538 1.521 40 0 HDABMN O=C(NC[C@]1(O)CCN(Cc2ccc(OCCF)cc2)C[C@H]1O)c1cscn1 ZINC000585269891 559116107 /nfs/dbraw/zinc/11/61/07/559116107.db2.gz OWLOAXANMSQLGG-IEBWSBKVSA-N 0 1 409.483 1.219 40 0 HDABMN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000100780768 559140816 /nfs/dbraw/zinc/14/08/16/559140816.db2.gz BCDATEVWEUPLFX-KRWDZBQOSA-N 0 1 400.479 1.648 40 0 HDABMN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000100780765 559140836 /nfs/dbraw/zinc/14/08/36/559140836.db2.gz BCDATEVWEUPLFX-QGZVFWFLSA-N 0 1 400.479 1.648 40 0 HDABMN COC(=O)COc1ccc(/C=C2/NC(=O)NC2=O)cc1I ZINC000409050306 560669927 /nfs/dbraw/zinc/66/99/27/560669927.db2.gz UFOBPNSUYXEVGX-WEVVVXLNSA-N 0 1 402.144 1.023 40 0 HDABMN COc1ccc(C(=O)N2C[C@@H]3COCCN3C3(CN(C4CCOCC4)C3)C2)cc1 ZINC000604381771 568489219 /nfs/dbraw/zinc/48/92/19/568489219.db2.gz NTHWJTNSXJEKJA-LJQANCHMSA-N 0 1 401.507 1.085 40 0 biogenic,in-vitro HDABMN O=C(COc1ccccc1)N1CC2(C1)CN(Cc1ccccc1)C[C@@H]1COCCN12 ZINC000604381782 568489309 /nfs/dbraw/zinc/48/93/09/568489309.db2.gz ODGWKKGMOQKFLG-OAQYLSRUSA-N 0 1 407.514 1.863 40 0 biogenic,in-vitro HDABMN C[NH+](C)CC[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 ZINC000223159499 568539703 /nfs/dbraw/zinc/53/97/03/568539703.db2.gz KSCGPKFVFAGNIB-UHFFFAOYSA-N 0 1 424.335 1.937 40 0 HDABMN COc1ccc(OCCNS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 ZINC000225159022 568619172 /nfs/dbraw/zinc/61/91/72/568619172.db2.gz AWIBFISPBRCLBQ-UHFFFAOYSA-N 0 1 400.482 1.499 40 0 HDABMN CN1CCN(C(=O)C[C@H]2CN(C(=O)c3ccn[nH]3)CC[C@@H]2Oc2ccccc2)CC1 ZINC000257231584 568785293 /nfs/dbraw/zinc/78/52/93/568785293.db2.gz GHJCNIRDRBLHGA-PXNSSMCTSA-N 0 1 411.506 1.484 40 0 HDABMN Cn1cncc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCCCC1 ZINC000257269726 568795584 /nfs/dbraw/zinc/79/55/84/568795584.db2.gz MRCVHCTYLQSRCK-LMCOJAPRSA-N 0 1 402.470 1.724 40 0 HDABMN O=C(c1cn[nH]c1[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCOCC1 ZINC000257270445 568795766 /nfs/dbraw/zinc/79/57/66/568795766.db2.gz MUGOJWFSFMBCPA-HNNXBMFYSA-N 0 1 404.492 1.450 40 0 HDABMN O=C(CCCc1nc2ccc(Cl)cc2[nH]1)N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257339311 568815853 /nfs/dbraw/zinc/81/58/53/568815853.db2.gz ZBFCXYIEIGQZGW-WRWLIDTKSA-N 0 1 406.914 1.879 40 0 HDABMN O=c1c(=O)n(C2CCCC2)nc2n1C[C@@]1(CCN(Cc3cccc(F)c3)C1)OC2 ZINC000306133475 568895667 /nfs/dbraw/zinc/89/56/67/568895667.db2.gz MMRKOQDZQRCGFE-NRFANRHFSA-N 0 1 400.454 1.834 40 0 HDABMN Cn1cc(C(=O)N2CC[C@@H](c3ccc4c(n[nH]c4NC4CCOCC4)n3)C2)ccc1=O ZINC000019705154 569347894 /nfs/dbraw/zinc/34/78/94/569347894.db2.gz HQORMKYQOBLHBT-CQSZACIVSA-N 0 1 422.489 1.877 40 0 HDABMN Cc1nn2c(nccc2[C@H]2CCN(C(=O)C(C)C)C2)c1CN1CCC(C(N)=O)CC1 ZINC000019707958 569348027 /nfs/dbraw/zinc/34/80/27/569348027.db2.gz UKHYSEITPQIAME-KRWDZBQOSA-N 0 1 412.538 1.707 40 0 HDABMN Cc1nn2c(nccc2[C@@H]2CCN(C(=O)C(C)C)C2)c1CN1CCC(C(N)=O)CC1 ZINC000019707957 569348105 /nfs/dbraw/zinc/34/81/05/569348105.db2.gz UKHYSEITPQIAME-QGZVFWFLSA-N 0 1 412.538 1.707 40 0 HDABMN CC(C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)NCCCc2nc4ccc(F)cc4[nH]2)[C@H]3C1=O ZINC000052567606 569352298 /nfs/dbraw/zinc/35/22/98/569352298.db2.gz JBNCMHHBTDEROA-PGVBMLAISA-N 0 1 412.465 1.941 40 0 HDABMN Cc1cc(N2CC[NH+](C)CC2)nc(SCC(=O)NCc2ccc(C(=O)[O-])cc2)n1 ZINC000005793276 132308025 /nfs/dbraw/zinc/30/80/25/132308025.db2.gz AALRMGBSMGRWQC-UHFFFAOYSA-N 0 1 415.519 1.644 40 0 HDABMN COc1ccc(CC(=O)N2CCC[C@H](c3cc(C(=O)N4CCOCC4)[nH]n3)C2)cc1 ZINC000072380688 523893975 /nfs/dbraw/zinc/89/39/75/523893975.db2.gz WDBFUYRXTMLVLF-KRWDZBQOSA-N 0 1 412.490 1.839 40 0 HDABMN Cc1ccnc(NS(=O)(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@@H]4C3=O)cc2)n1 ZINC000004892813 557610621 /nfs/dbraw/zinc/61/06/21/557610621.db2.gz CFMQYYTZBXTMBB-RMHZUWNSSA-N 0 1 410.455 1.897 40 0 HDABMN COCCn1c2nc([C@H]3CCCN(Cc4cccnc4)C3)ccc2c(=O)n(C)c1=O ZINC000019743059 558263545 /nfs/dbraw/zinc/26/35/45/558263545.db2.gz YXRMCCKPAJXRCH-KRWDZBQOSA-N 0 1 409.490 1.516 40 0 HDABMN Cc1noc(C)c1S(=O)(=O)N1CCC(c2nc(CN(C)C)cc(N(C)C)n2)CC1 ZINC000019752053 558272002 /nfs/dbraw/zinc/27/20/02/558272002.db2.gz YJDDTJPCLKFNLD-UHFFFAOYSA-N 0 1 422.555 1.777 40 0 HDABMN CN(C)C(=O)CN1CCC(Cc2nn(C)cc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000019756292 558274346 /nfs/dbraw/zinc/27/43/46/558274346.db2.gz ICGDKEJLYAVFHJ-UHFFFAOYSA-N 0 1 415.513 1.832 40 0 HDABMN COC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@H]1c1ccccc1 ZINC000019818090 558288456 /nfs/dbraw/zinc/28/84/56/558288456.db2.gz YZKOLHOOZIJRLJ-MOPGFXCFSA-N 0 1 410.449 1.964 40 0 HDABMN CCN1CCN([C@H](c2nnnn2C[C@H]2CCCO2)c2ccc(OC)c(OC)c2)CC1 ZINC000020140816 558338960 /nfs/dbraw/zinc/33/89/60/558338960.db2.gz WODYGAGZGMCNDH-XLIONFOSSA-N 0 1 416.526 1.596 40 0 HDABMN Cc1ccccc1[C@@H]1CN(CC(=O)N2CCC[C@H](C(N)=O)C2)C[C@H]1c1csnn1 ZINC000019237422 558856580 /nfs/dbraw/zinc/85/65/80/558856580.db2.gz XZMXJVDKNWJYGA-RYQLBKOJSA-N 0 1 413.547 1.753 40 0 HDABMN O=C(C[C@H]1C(=O)NCCN1C1CCCC1)NCCCc1nc2cc(F)ccc2[nH]1 ZINC000019346123 558873380 /nfs/dbraw/zinc/87/33/80/558873380.db2.gz GWPQJVRPMOODOZ-SFHVURJKSA-N 0 1 401.486 1.884 40 0 HDABMN CC(C)N1CCN(C(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2ccccc2O3)CC1 ZINC000072326124 558933600 /nfs/dbraw/zinc/93/36/00/558933600.db2.gz RBFOJGZRANPBFC-JOCHJYFZSA-N 0 1 414.506 1.070 40 0 HDABMN COc1ccc2c(c1)C(=O)N[C@]1(CN(Cc3cccnc3)C[C@@H]1C(=O)N(C)C)CC2 ZINC000072334374 558935389 /nfs/dbraw/zinc/93/53/89/558935389.db2.gz DJMNXYSEZNPUIM-OFNKIYASSA-N 0 1 408.502 1.725 40 0 HDABMN CN1CCN(c2cc(C(=O)NCCS(=O)(=O)c3ccc(F)cc3)ccn2)CC1 ZINC000019662555 558953386 /nfs/dbraw/zinc/95/33/86/558953386.db2.gz WJPBOPWWCBNRRD-UHFFFAOYSA-N 0 1 406.483 1.176 40 0 HDABMN Cc1cc(-c2cnn(C)c2)cc([C@@H]2CCN(CC(=O)N3CCC(C(N)=O)CC3)C2)n1 ZINC000072374657 558962526 /nfs/dbraw/zinc/96/25/26/558962526.db2.gz ODZAONYQRWUBSS-QGZVFWFLSA-N 0 1 410.522 1.304 40 0 HDABMN Cc1nc(CC(=O)N2CCCC[C@H]2c2cc(C(=O)N3CCOCC3)[nH]n2)cs1 ZINC000072380633 558968563 /nfs/dbraw/zinc/96/85/63/558968563.db2.gz QHIXJEQUGINEDK-KRWDZBQOSA-N 0 1 403.508 1.943 40 0 HDABMN CNc1nc([C@@H]2CCCN2C(=O)CN2CCC(C)CC2)nc2c1CCN(C(C)=O)C2 ZINC000019707298 558969735 /nfs/dbraw/zinc/96/97/35/558969735.db2.gz RTHYFYFOIJRIGA-IBGZPJMESA-N 0 1 414.554 1.818 40 0 HDABMN CCN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(Cc2cccs2)CC3)C1=O ZINC000096036525 559090361 /nfs/dbraw/zinc/09/03/61/559090361.db2.gz DRYJJMHCEYTJAL-LJQANCHMSA-N 0 1 411.593 1.844 40 0 HDABMN CS(=O)(=O)N1C[C@H](c2nc[nH]n2)c2cc(C(=O)NCc3ccc(F)cc3)ccc21 ZINC000096156439 559100492 /nfs/dbraw/zinc/10/04/92/559100492.db2.gz ARUOKUNAONNZFV-INIZCTEOSA-N 0 1 415.450 1.785 40 0 HDABMN O=S1(=O)c2ccccc2O[C@H]2CCN(CCO)CC[C@@H]2N1Cc1cccnc1 ZINC000096263951 559107310 /nfs/dbraw/zinc/10/73/10/559107310.db2.gz AMWAJNTUYVDSNR-ROUUACIJSA-N 0 1 403.504 1.490 40 0 HDABMN CC(=O)NC[C@]1(O)CCN(Cc2ccc(OCCn3nc(C)cc3C)cc2)C[C@H]1O ZINC000585270365 559116304 /nfs/dbraw/zinc/11/63/04/559116304.db2.gz IHQSBXIZPQKTLO-FGZHOGPDSA-N 0 1 416.522 1.013 40 0 HDABMN Cn1c(=O)c2ccc([C@H]3CC[C@H](CNC(=O)CN4CCCC4)CC3)nc2n(C)c1=O ZINC000100707163 559138139 /nfs/dbraw/zinc/13/81/39/559138139.db2.gz UMXVKQLXXWDLJJ-IYBDPMFKSA-N 0 1 413.522 1.118 40 0 HDABMN O=C(NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1)c1cncnc1 ZINC000257213757 559282514 /nfs/dbraw/zinc/28/25/14/559282514.db2.gz CIZAPEBOEGIUBV-QNWVGRARSA-N 0 1 410.518 1.780 40 0 HDABMN NC(=O)[C@@H]1CCC[N@H+]1CC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)[O-] ZINC000020463024 560093013 /nfs/dbraw/zinc/09/30/13/560093013.db2.gz HGXMSLXOFNVXKD-BQFCYCMXSA-N 0 1 405.470 1.719 40 0 biogenic,in-vitro HDABMN NC(=O)[C@@H]1CCC[N@H+]1CC[C@H]1CN(C(=O)COc2ccccc2)CC[C@H]1CC(=O)[O-] ZINC000020462994 560093029 /nfs/dbraw/zinc/09/30/29/560093029.db2.gz GPCQDUZEWFGEDQ-LNLFQRSKSA-N 0 1 417.506 1.345 40 0 biogenic,in-vitro HDABMN O=C1N[C@@H](c2ccc3c(c2)OCO3)C(=C(O)c2cccnc2)[C@](O)(C(F)(F)F)N1 ZINC000170620759 560767980 /nfs/dbraw/zinc/76/79/80/560767980.db2.gz NGXKDHNDHYWXGJ-ZQIUZPCESA-N 0 1 409.320 1.914 40 0 HDABMN CCCNS(=O)(=O)c1ccc(CCC(=O)NCCSc2nnc(C)[nH]2)cc1 ZINC000222871571 568529096 /nfs/dbraw/zinc/52/90/96/568529096.db2.gz LCLSNESRGZZNFZ-UHFFFAOYSA-N 0 1 411.553 1.643 40 0 HDABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)NCc2cccc(N3CCCC3=O)c2)s1 ZINC000224149381 568571558 /nfs/dbraw/zinc/57/15/58/568571558.db2.gz WMXRMVPLVCJDLZ-UHFFFAOYSA-N 0 1 423.520 1.738 40 0 HDABMN Cc1cn([C@@H]2CN(C(=O)CCc3nc4ccc(Cl)cc4[nH]3)C[C@H]2O)c(=O)[nH]c1=O ZINC000257209996 568778940 /nfs/dbraw/zinc/77/89/40/568778940.db2.gz BSSBKJWICAJAEW-HUUCEWRRSA-N 0 1 417.853 1.164 40 0 HDABMN CN1CCN(C(=O)C[C@@]2(COc3ccc(F)cc3)CN(CC3CC3)CCO2)CC1 ZINC000257269442 568795420 /nfs/dbraw/zinc/79/54/20/568795420.db2.gz MPYFRXVTTORMSX-QFIPXVFZSA-N 0 1 405.514 1.850 40 0 HDABMN O=C(c1cn[nH]c1[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCOCC1 ZINC000257270446 568795805 /nfs/dbraw/zinc/79/58/05/568795805.db2.gz MUGOJWFSFMBCPA-OAHLLOKOSA-N 0 1 404.492 1.450 40 0 HDABMN C[C@@]1(O)CCN(C(=O)CCCN2Cc3ccccc3C2)C[C@H]1n1ccc(=O)[nH]c1=O ZINC000257273027 568796630 /nfs/dbraw/zinc/79/66/30/568796630.db2.gz NEXVTNFKMBCHCM-XMSQKQJNSA-N 0 1 412.490 1.269 40 0 HDABMN O=C(CN1CCCC1)N1CC[C@]2(C1)COCc1cnc(NCC3CCOCC3)nc12 ZINC000306124121 568887020 /nfs/dbraw/zinc/88/70/20/568887020.db2.gz BGSCZBSSYUOEBU-QFIPXVFZSA-N 0 1 415.538 1.411 40 0 HDABMN O=S1(=O)NCC2(CCN(Cc3cccs3)CC2)c2nc(N3CCCC3)ncc21 ZINC000306125415 568888062 /nfs/dbraw/zinc/88/80/62/568888062.db2.gz CPQMGOTVIYZUQE-UHFFFAOYSA-N 0 1 419.576 1.964 40 0 HDABMN Cc1nc2sccn2c(=O)c1S(=O)(=O)Nc1ccccc1N1CCOCC1 ZINC000006859740 569157483 /nfs/dbraw/zinc/15/74/83/569157483.db2.gz UNGNTDSLXOIQMK-UHFFFAOYSA-N 0 1 406.489 1.702 40 0 HDABMN CN(C)Cc1cnc2ccnn2c1CC1CCN(C(=O)c2ccc(=O)n(C)c2)CC1 ZINC000019704755 569347734 /nfs/dbraw/zinc/34/77/34/569347734.db2.gz WUNMRGKFVVIKOS-UHFFFAOYSA-N 0 1 408.506 1.585 40 0 HDABMN CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)CN(C)C)C2)C3)cc1 ZINC000005437786 291190598 /nfs/dbraw/zinc/19/05/98/291190598.db2.gz WIHPJIPOPQRHGE-FUHWJXTLSA-N 0 1 408.502 1.981 40 0 biogenic,in-vitro HDABMN CN1[C@@H]2CCN(Cc3ccccn3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccco1 ZINC000022920851 291194190 /nfs/dbraw/zinc/19/41/90/291194190.db2.gz DDODNCRAPYKVHS-DSKINZAPSA-N 0 1 411.506 1.144 40 0 biogenic,in-vitro HDABMN Cc1cc(CNC(=O)[C@@H]2CCC[C@@H](NCc3nccn3C)CN(C)C(=O)C2)no1 ZINC000225406837 291198277 /nfs/dbraw/zinc/19/82/77/291198277.db2.gz FJXNLJMFXBNKSZ-HZPDHXFCSA-N 0 1 402.499 1.140 40 0 biogenic,in-vitro HDABMN CCCCN1C(=O)[C@H]2[C@@H](C)N[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O ZINC000009041595 557820074 /nfs/dbraw/zinc/82/00/74/557820074.db2.gz BQBWRMQNBHJNQQ-YRXYDSRQSA-N 0 1 406.280 1.990 40 0 HDABMN Cn1nc(-c2ccccn2)cc1CN1CCC(NC(=O)CN2CCCCCC2=O)CC1 ZINC000019288953 558861820 /nfs/dbraw/zinc/86/18/20/558861820.db2.gz LYSYGDXDBZFFHL-UHFFFAOYSA-N 0 1 424.549 1.965 40 0 HDABMN CC(C)c1cc(C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CC3)C4)C2)n[nH]1 ZINC000019451741 558889726 /nfs/dbraw/zinc/88/97/26/558889726.db2.gz GFVQUGMWUHTZNJ-AWEZNQCLSA-N 0 1 424.505 1.541 40 0 HDABMN CCc1nccn1CC(=O)N1CCC[C@@H](C2=Nc3ccccc3S(=O)(=O)N2)C1 ZINC000019523493 558904649 /nfs/dbraw/zinc/90/46/49/558904649.db2.gz YGZHGKDCEMGFQH-CQSZACIVSA-N 0 1 401.492 1.706 40 0 HDABMN CSc1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)cn1 ZINC000019574129 558931790 /nfs/dbraw/zinc/93/17/90/558931790.db2.gz QVVPVPRUEBUMQE-OAHLLOKOSA-N 0 1 402.524 1.498 40 0 HDABMN O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2cc(C(=O)N3CCOCC3)[nH]n2)C1 ZINC000072380667 558968759 /nfs/dbraw/zinc/96/87/59/558968759.db2.gz LQFHDOZDEXZVRB-MRXNPFEDSA-N 0 1 400.454 1.970 40 0 HDABMN O=S(=O)(c1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2ccccc2Cl)C1 ZINC000585283680 559120783 /nfs/dbraw/zinc/12/07/83/559120783.db2.gz GQBXDZYHHUPQFH-RBUKOAKNSA-N 0 1 410.923 1.616 40 0 HDABMN CN1CCN(C[C@@H]2OC[C@H](NC(=O)Nc3ccc(OC(F)(F)F)cc3)[C@H]2O)CC1 ZINC000514289019 560033487 /nfs/dbraw/zinc/03/34/87/560033487.db2.gz MBXRUPJOEKKFFJ-HRCADAONSA-N 0 1 418.416 1.082 40 0 biogenic,in-vitro HDABMN C=C1N=C(SCC(N)=O)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408990914 560662194 /nfs/dbraw/zinc/66/21/94/560662194.db2.gz OYNIANSTCUPZHV-INIZCTEOSA-N 0 1 423.491 1.768 40 0 HDABMN COC(=O)C1C(CNCCN2CCOCC2)=NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000020029439 560880252 /nfs/dbraw/zinc/88/02/52/560880252.db2.gz OJQXGYHCFYJSLP-IBGZPJMESA-N 0 1 402.495 1.006 40 0 HDABMN COc1ccccc1OCCNS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000225143264 568617608 /nfs/dbraw/zinc/61/76/08/568617608.db2.gz WUEMXXONHCEZAC-UHFFFAOYSA-N 0 1 414.509 1.889 40 0 HDABMN O=C(CCCN1Cc2ccccc2C1)N1C[C@@H](O)[C@@H](Cc2cn3ccnc3cn2)C1 ZINC000257205542 568777739 /nfs/dbraw/zinc/77/77/39/568777739.db2.gz AZOIUNIDDRFMMA-PZJWPPBQSA-N 0 1 405.502 1.887 40 0 HDABMN Cc1c(C)n(C)c2ccc(NC(=O)[C@@H]3CN(C(=O)C4=NC(=O)NC4)CCN3C)cc12 ZINC000257249069 568790092 /nfs/dbraw/zinc/79/00/92/568790092.db2.gz JGPIGMQJAMTWKC-SFHVURJKSA-N 0 1 410.478 1.619 40 0 HDABMN O=C(c1cc(-c2cccnc2)[nH]n1)N1CCC([C@@H]2NC(=O)N[C@H]3OCCC[C@H]32)CC1 ZINC000257249072 568790162 /nfs/dbraw/zinc/79/01/62/568790162.db2.gz JGPQKKRLCFHMTJ-SNRMKQJTSA-N 0 1 410.478 1.758 40 0 HDABMN COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3cncc(C)c3)[C@H](N(C)CCO)[C@H]2O)c1 ZINC000257286908 568800724 /nfs/dbraw/zinc/80/07/24/568800724.db2.gz PNPVWNDMQWHFCL-CGXNFDGLSA-N 0 1 415.490 1.002 40 0 HDABMN CCCCc1cc(C(=O)N2CCC[C@](O)(CN3CCN(C(C)=O)CC3)CC2)[nH]n1 ZINC000257303852 568805723 /nfs/dbraw/zinc/80/57/23/568805723.db2.gz SIZWAFAESYJILB-OAQYLSRUSA-N 0 1 405.543 1.274 40 0 HDABMN Cc1ccc(S(=O)(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)c(C)c1 ZINC000224332523 569058529 /nfs/dbraw/zinc/05/85/29/569058529.db2.gz FFWRJLZUPOWXTN-UHFFFAOYSA-N 0 1 417.535 1.441 40 0 HDABMN C[C@H]1Cc2cc([C@H](O)CN3CCN(c4ccccn4)CC3)ccc2N1S(C)(=O)=O ZINC000012180985 132355960 /nfs/dbraw/zinc/35/59/60/132355960.db2.gz ICRDMIHVVGYUPH-OXJNMPFZSA-N 0 1 416.547 1.648 40 0 HDABMN O=C1N[C@@H](c2ccc3c(c2)OCO3)C(=C(O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 ZINC000004269937 557534062 /nfs/dbraw/zinc/53/40/62/557534062.db2.gz NGXKDHNDHYWXGJ-GRDNDAEWSA-N 0 1 409.320 1.914 40 0 HDABMN COC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)c3ccco3)CC2)N[C@@H]1c1ccccc1 ZINC000010157536 557856630 /nfs/dbraw/zinc/85/66/30/557856630.db2.gz OGKOVXMAWDAPES-DLBZAZTESA-N 0 1 410.430 1.054 40 0 HDABMN COC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)c3ccco3)CC2)N[C@@H]1c1ccccc1 ZINC000010157535 557856688 /nfs/dbraw/zinc/85/66/88/557856688.db2.gz OGKOVXMAWDAPES-IAGOWNOFSA-N 0 1 410.430 1.054 40 0 HDABMN O=C(NCc1n[nH]c2c1CCCC2)[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000019747659 558267150 /nfs/dbraw/zinc/26/71/50/558267150.db2.gz OUMLYLUNZPOPGZ-ZDUSSCGKSA-N 0 1 406.483 1.755 40 0 HDABMN COC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@@H]1c1ccccc1 ZINC000019818061 558288255 /nfs/dbraw/zinc/28/82/55/558288255.db2.gz LTDYMLDOVRRWEI-WOJBJXKFSA-N 0 1 422.485 1.834 40 0 HDABMN CCN1CCN(CC(=O)N2CCC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 ZINC000019528149 558909181 /nfs/dbraw/zinc/90/91/81/558909181.db2.gz OCDLUJJVUOBMFH-GOSISDBHSA-N 0 1 401.555 1.313 40 0 HDABMN CS(=O)(=O)N1CCc2nc([C@@H]3CCCN(Cc4ccccc4F)C3)[nH]c(=O)c2C1 ZINC000019572743 558930939 /nfs/dbraw/zinc/93/09/39/558930939.db2.gz SQSJJLRROJDIDI-OAHLLOKOSA-N 0 1 420.510 1.606 40 0 HDABMN CN1CCN(CC(C)(C)CNC(=O)[C@@H]2[C@@H]3C(=O)Nc4ccccc4C(=O)[C@]23C)CC1 ZINC000019576191 558932742 /nfs/dbraw/zinc/93/27/42/558932742.db2.gz ZGXLLZCZEVILQJ-YZZKKUAISA-N 0 1 412.534 1.464 40 0 HDABMN Nc1[nH]nc2nc([C@@H]3CCCCN3C(=O)CN3CCOCC3)cc(C(F)(F)F)c12 ZINC000019695523 558964107 /nfs/dbraw/zinc/96/41/07/558964107.db2.gz FKDISEVMDPGNOF-ZDUSSCGKSA-N 0 1 412.416 1.945 40 0 HDABMN CC(=O)N1CCC2(CC1)NC(=O)N(C1CCN(Cc3ccc(F)cc3)CC1)C2=O ZINC000019699533 558966703 /nfs/dbraw/zinc/96/67/03/558966703.db2.gz SLWZCWTVABEFPP-UHFFFAOYSA-N 0 1 402.470 1.723 40 0 HDABMN CC(=O)N1CCC2(CC1)NC(=O)N(C1CCN(Cc3ccccc3F)CC1)C2=O ZINC000019699532 558966753 /nfs/dbraw/zinc/96/67/53/558966753.db2.gz MYDLOBVQEVOVAZ-UHFFFAOYSA-N 0 1 402.470 1.723 40 0 HDABMN Cc1noc(C)c1CC(=O)N1CCCC[C@@H]1c1cc(C(=O)N2CCOCC2)[nH]n1 ZINC000072380680 558968674 /nfs/dbraw/zinc/96/86/74/558968674.db2.gz YKDRMUMIFZQBFP-GOSISDBHSA-N 0 1 401.467 1.783 40 0 HDABMN Cn1nc(C(=O)N2CCC[C@]3(C2)COCCN(Cc2c[nH]nn2)C3)c2ccccc21 ZINC000096076441 559094626 /nfs/dbraw/zinc/09/46/26/559094626.db2.gz IYXOBIGLSLZYMJ-NRFANRHFSA-N 0 1 409.494 1.446 40 0 HDABMN CN1CCN(C(=O)c2ccc3c(c2)[C@@H](c2nc[nH]n2)CN3C(=O)c2ccccc2)CC1 ZINC000096267835 559108467 /nfs/dbraw/zinc/10/84/67/559108467.db2.gz NLAPGAGNQHHGFF-IBGZPJMESA-N 0 1 416.485 1.985 40 0 HDABMN O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCC(O)CC1)c1ccccc1F ZINC000585262294 559110706 /nfs/dbraw/zinc/11/07/06/559110706.db2.gz GWDLVXLUBFEZHI-CZYKHXBRSA-N 0 1 414.477 1.962 40 0 HDABMN Cn1cc(C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H](N3CCOCC3)CC2)cn1 ZINC000257244454 559284188 /nfs/dbraw/zinc/28/41/88/559284188.db2.gz ILJWWEGWKTTXJN-MQSCRBSSSA-N 0 1 412.534 1.724 40 0 HDABMN Cc1nnc(SCCNC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)[nH]1 ZINC000222631562 568521561 /nfs/dbraw/zinc/52/15/61/568521561.db2.gz WLEFETQXANDVBW-UHFFFAOYSA-N 0 1 413.525 1.087 40 0 HDABMN CC(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)s1 ZINC000222808687 568527018 /nfs/dbraw/zinc/52/70/18/568527018.db2.gz ZGZZKKIRAXFQNJ-UHFFFAOYSA-N 0 1 414.856 1.678 40 0 HDABMN O=C(Nc1nnc(S(=O)(=O)NCc2ccc3c(c2)OCO3)s1)c1ccccc1 ZINC000223204937 568541025 /nfs/dbraw/zinc/54/10/25/568541025.db2.gz IKXCHQXCNDJOOZ-UHFFFAOYSA-N 0 1 418.456 1.998 40 0 HDABMN CCC(=O)Nc1nnc(S(=O)(=O)NCc2ccccc2CN2CCCC2=O)s1 ZINC000224377204 568579612 /nfs/dbraw/zinc/57/96/12/568579612.db2.gz WUIBFYFDBZDWGH-UHFFFAOYSA-N 0 1 423.520 1.488 40 0 HDABMN Cc1nnc(SCCNC(=O)c2ccc(Cl)c(N(C)S(C)(=O)=O)c2)[nH]1 ZINC000225971571 568689647 /nfs/dbraw/zinc/68/96/47/568689647.db2.gz OMMFEAWLRSDUFZ-UHFFFAOYSA-N 0 1 403.917 1.684 40 0 HDABMN C[C@@H]1CN(c2ncc3c(n2)[C@]2(CCN(Cc4cccnc4N)C2)COC3)C[C@H](C)O1 ZINC000253603056 568755048 /nfs/dbraw/zinc/75/50/48/568755048.db2.gz IOXVYOVSVKPCPV-DMPWYTOCSA-N 0 1 410.522 1.741 40 0 HDABMN C[C@@H]1CN(c2ncc3c(n2)[C@@]2(CCN(Cc4ccc(CO)o4)C2)COC3)C[C@H](C)O1 ZINC000253604064 568755095 /nfs/dbraw/zinc/75/50/95/568755095.db2.gz QAGKQZHCTZIBJR-ZMPRRUGASA-N 0 1 414.506 1.849 40 0 HDABMN CN(C(=O)CCc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257199956 568776207 /nfs/dbraw/zinc/77/62/07/568776207.db2.gz ABKSIMYHAJPTHZ-MBOZVWFJSA-N 0 1 406.914 1.831 40 0 HDABMN Cn1nccc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCCCC1 ZINC000257237519 568786979 /nfs/dbraw/zinc/78/69/79/568786979.db2.gz HGWNNXHJXRNHQD-LMCOJAPRSA-N 0 1 402.470 1.724 40 0 HDABMN O=C(CCc1nc2ccc(Cl)cc2[nH]1)N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257268106 568795238 /nfs/dbraw/zinc/79/52/38/568795238.db2.gz MKGHBKNUELERGX-WRWLIDTKSA-N 0 1 406.914 1.879 40 0 HDABMN CNC(=O)[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc3nc(C)[nH]c3c2)C1 ZINC000257269521 568795577 /nfs/dbraw/zinc/79/55/77/568795577.db2.gz MQIRUDACFAAZMJ-QFIPXVFZSA-N 0 1 406.490 1.985 40 0 HDABMN Cc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2N(C)CCO)cn1 ZINC000257289610 568801165 /nfs/dbraw/zinc/80/11/65/568801165.db2.gz PZKSMQIQZDKJJG-ZRNYENFQSA-N 0 1 403.454 1.132 40 0 HDABMN Cn1c2nccc([C@H]3CCCN(C(=O)[C@H](N)c4ccccc4)C3)c2c(=O)n(C)c1=O ZINC000257311686 568807797 /nfs/dbraw/zinc/80/77/97/568807797.db2.gz UKPZJCWKDXQGQE-MAUKXSAKSA-N 0 1 407.474 1.038 40 0 HDABMN Cc1ccccc1N1CCC(O)(CN2CCN(Cc3ccccc3)C[C@H]2C(N)=O)CC1 ZINC000257315731 568808969 /nfs/dbraw/zinc/80/89/69/568808969.db2.gz VCNYJPGRAWCCDE-QHCPKHFHSA-N 0 1 422.573 1.998 40 0 HDABMN COc1ccc(CN2CC[C@]3(C2)Cn2c(nn(C4CCCC4)c(=O)c2=O)CO3)cc1 ZINC000306123840 568887079 /nfs/dbraw/zinc/88/70/79/568887079.db2.gz AYEFGOVENSETJX-QFIPXVFZSA-N 0 1 412.490 1.704 40 0 HDABMN CN1C[C@H](C(=O)NCCc2ccccc2)OC2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000306127020 568889819 /nfs/dbraw/zinc/88/98/19/568889819.db2.gz FLQPEEDWDYTKHF-HXUWFJFHSA-N 0 1 411.502 1.944 40 0 HDABMN COc1ccc(CN2CC[C@@]3(C2)Cn2c(nn(CC(C)C)c(=O)c2=O)CO3)cc1 ZINC000306136682 568898378 /nfs/dbraw/zinc/89/83/78/568898378.db2.gz QADXAFQNHMIMCO-OAQYLSRUSA-N 0 1 400.479 1.245 40 0 HDABMN O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@@]1(CCN(Cc3ccncc3)C1)C2 ZINC000306137119 568899028 /nfs/dbraw/zinc/89/90/28/568899028.db2.gz QLZLAJWZGKCDBH-JOCHJYFZSA-N 0 1 411.506 1.555 40 0 HDABMN Cn1cc(CN2CC[C@]3(C2)Cn2c(nnc2C(=O)NC2CCCCC2)CN3C)cn1 ZINC000306137191 568899142 /nfs/dbraw/zinc/89/91/42/568899142.db2.gz QOGDYMORKQCZRL-NRFANRHFSA-N 0 1 412.542 1.164 40 0 HDABMN Cc1nc(CN2CCC3(Cc4nn(Cc5ccccn5)c(=O)c(=O)n4C3)CC2)cs1 ZINC000306138232 568900125 /nfs/dbraw/zinc/90/01/25/568900125.db2.gz RSULXMRXRYQXPE-UHFFFAOYSA-N 0 1 424.530 1.452 40 0 HDABMN COc1cccc(CN2CC[C@]3(C2)Cn2c(nn(C4CCCC4)c(=O)c2=O)CO3)c1 ZINC000306141262 568902851 /nfs/dbraw/zinc/90/28/51/568902851.db2.gz VQEYLVOHKZGDAR-QFIPXVFZSA-N 0 1 412.490 1.704 40 0 HDABMN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)N[C@@]21c2cccc(Cl)c2NC1=O ZINC000016024853 569026235 /nfs/dbraw/zinc/02/62/35/569026235.db2.gz JYXHNNPQVSNEBQ-DCIUCNCLSA-N 0 1 418.881 1.124 40 0 HDABMN O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 ZINC000224331093 569058542 /nfs/dbraw/zinc/05/85/42/569058542.db2.gz AXIZNLPQQQGYRB-UHFFFAOYSA-N 0 1 412.450 1.396 40 0 HDABMN CC(C)c1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(N[C@H](C)CO)n1 ZINC000329061820 571306415 /nfs/dbraw/zinc/30/64/15/571306415.db2.gz WULJCTKZXLGXMS-CYBMUJFWSA-N 0 1 405.524 1.603 40 0 HDABMN