smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)NC(=N)NC(=N)N1c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 ZINC000001719602 534961669 /nfs/dbraw/zinc/96/16/69/534961669.db2.gz RVGYMCTZENVEOJ-UHFFFAOYSA-N 0 3 400.870 2.543 40 0 HFABHN CS(=O)(=O)N1Cc2ccccc2O[C@]2(CCCN(CCc3ccccc3)C2)C1 ZINC000012087212 558322002 /nfs/dbraw/zinc/32/20/02/558322002.db2.gz XPUVMFPINUGKRC-QFIPXVFZSA-N 0 3 400.544 2.918 40 0 HFABHN CC(C)(C)c1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNC[C@@H]3COCCO3)cc12 ZINC000012186542 558345598 /nfs/dbraw/zinc/34/55/98/558345598.db2.gz PIXMQUISADFTJG-QGZVFWFLSA-N 0 3 414.481 2.655 40 0 HFABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@H]1c1ccc(C)cc1 ZINC000020637192 558396512 /nfs/dbraw/zinc/39/65/12/558396512.db2.gz IZJSJUGWVYAWQP-RTWAWAEBSA-N 0 3 420.513 2.523 40 0 HFABHN COc1ncc([C@@]2(O)CC[C@@H]3CN(Cc4ccc5c(c4)C[C@H](C)O5)C[C@@H]32)c(OC)n1 ZINC000012407240 558398430 /nfs/dbraw/zinc/39/84/30/558398430.db2.gz YKQDIJZVIHRGJV-IUOOBWKPSA-N 0 3 411.502 2.547 40 0 HFABHN Cc1ccc(N2C(=O)C[C@H](NCC3CCN(c4nc(C)cc(C)n4)CC3)C2=O)cc1 ZINC000022145561 558464756 /nfs/dbraw/zinc/46/47/56/558464756.db2.gz ZMPQFRUYXHXLCJ-FQEVSTJZSA-N 0 3 407.518 2.540 40 0 HFABHN C[C@@H](C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2-c2ccncc2)C1)N1CCCCC1 ZINC000019079210 558838807 /nfs/dbraw/zinc/83/88/07/558838807.db2.gz GLVGSWVHYNAPSC-UGKGYDQZSA-N 0 3 420.557 2.740 40 0 HFABHN COc1ccc(C2=NO[C@@](C)(C(=O)Nc3nnc(CCN4CCCC4)s3)C2)cc1 ZINC000019460857 558893615 /nfs/dbraw/zinc/89/36/15/558893615.db2.gz AIHUICKDDRSUSI-HXUWFJFHSA-N 0 3 415.519 2.707 40 0 HFABHN CCS(=O)(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCC(C)CC2)CC3)C1 ZINC000019520309 558901318 /nfs/dbraw/zinc/90/13/18/558901318.db2.gz WTPGNTWKGYLFRW-AQFXKWCLSA-N 0 3 422.595 2.648 40 0 HFABHN CCS(=O)(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)C[N@H+](C2CCC(C)CC2)CC3)C1 ZINC000019520309 558901319 /nfs/dbraw/zinc/90/13/19/558901319.db2.gz WTPGNTWKGYLFRW-AQFXKWCLSA-N 0 3 422.595 2.648 40 0 HFABHN CCN1CCC(n2nccc2NC(=O)CCc2cc3c(cc2OC)OCCO3)CC1 ZINC000019527052 558908085 /nfs/dbraw/zinc/90/80/85/558908085.db2.gz BOUOYNPTWGCOFR-UHFFFAOYSA-N 0 3 414.506 2.891 40 0 HFABHN CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2CN(CC2=CCCOC2)C3)c(OCC)n1 ZINC000019531619 558912096 /nfs/dbraw/zinc/91/20/96/558912096.db2.gz XMZSNDZRSSXAIN-VSOVRNOCSA-N 0 3 403.523 2.540 40 0 HFABHN Cc1cc(C[N@@H+]2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)C2)cs1 ZINC000019572048 558930502 /nfs/dbraw/zinc/93/05/02/558930502.db2.gz VDZUWCSROUUVSC-QGZVFWFLSA-N 0 3 412.559 2.814 40 0 HFABHN Cc1cc(C[N@H+]2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)C2)cs1 ZINC000019572048 558930504 /nfs/dbraw/zinc/93/05/04/558930504.db2.gz VDZUWCSROUUVSC-QGZVFWFLSA-N 0 3 412.559 2.814 40 0 HFABHN Cc1cccnc1Nc1ccc([C@@H]2CCCN(CCC(=O)N3CCOCC3)C2)nc1 ZINC000072353278 558950138 /nfs/dbraw/zinc/95/01/38/558950138.db2.gz OMXKGMVUMZAVSP-LJQANCHMSA-N 0 3 409.534 2.957 40 0 HFABHN CC(=O)N1CCN(Cc2ccc3[nH]ccc3c2)C[C@@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072355247 558952476 /nfs/dbraw/zinc/95/24/76/558952476.db2.gz FJEJFRPOXGHMSZ-LJQANCHMSA-N 0 3 406.534 2.547 40 0 HFABHN Cc1cc(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)c2c(=O)[n-]c(=O)n(C)c2n1 ZINC000019662621 558953576 /nfs/dbraw/zinc/95/35/76/558953576.db2.gz LPMRERICQJCCQV-UHFFFAOYSA-N 0 3 421.501 2.559 40 0 HFABHN CC(=O)N1CCc2nc(C3CCN(C)CC3)nc(N(C)CCc3ccccc3)c2C1 ZINC000072372297 558959772 /nfs/dbraw/zinc/95/97/72/558959772.db2.gz CTHHUCTUHOPLIR-UHFFFAOYSA-N 0 3 407.562 2.869 40 0 HFABHN O=C(CN1CCC[C@H]2CCCC[C@@H]21)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373076 558960771 /nfs/dbraw/zinc/96/07/71/558960771.db2.gz DKMFOTAVDJZKEB-DYXWJJEUSA-N 0 3 412.578 2.940 40 0 HFABHN O=C(CN1CC[C@@H](c2ccccc2)C1)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373077 558960936 /nfs/dbraw/zinc/96/09/36/558960936.db2.gz BMZDMHVZCICRRQ-RTWAWAEBSA-N 0 3 420.557 2.775 40 0 HFABHN CCc1ncc(CN2CCC[C@@H]2CN2Cc3ccccc3OC[C@H]2CN(C)C)cn1 ZINC000257333403 559013415 /nfs/dbraw/zinc/01/34/15/559013415.db2.gz YBJMESQPADEKCN-FGZHOGPDSA-N 0 3 409.578 2.828 40 0 HFABHN Cc1nc(C)c(CN2CCC[C@]3(CCC(=O)N3CC(=O)N3CCCC3)CC2)s1 ZINC000585100472 559024027 /nfs/dbraw/zinc/02/40/27/559024027.db2.gz LCFIVSIKOZRHJV-NRFANRHFSA-N 0 3 404.580 2.729 40 0 HFABHN CCN(Cc1ccncc1)C(=O)[C@@H]1CN(Cc2cnn(CC)c2)CC12CCOCC2 ZINC000585101900 559025040 /nfs/dbraw/zinc/02/50/40/559025040.db2.gz IQSYXCGCLAIRDP-NRFANRHFSA-N 0 3 411.550 2.575 40 0 HFABHN CCN(Cc1ccncc1)C(=O)[C@H]1CN(Cc2cnn(CC)c2)CC12CCOCC2 ZINC000585101901 559025129 /nfs/dbraw/zinc/02/51/29/559025129.db2.gz IQSYXCGCLAIRDP-OAQYLSRUSA-N 0 3 411.550 2.575 40 0 HFABHN CC(C)OC(=O)NC1CC2(C1)CCN(Cc1ccnc(N3CCOCC3)c1)CC2 ZINC000585103850 559025789 /nfs/dbraw/zinc/02/57/89/559025789.db2.gz SCQHPEYJOXUDRA-UHFFFAOYSA-N 0 3 402.539 2.797 40 0 HFABHN CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccc(OC)cc3)CC2)O1 ZINC000096036874 559090685 /nfs/dbraw/zinc/09/06/85/559090685.db2.gz BMXAOQDELRYUJN-HXUWFJFHSA-N 0 3 412.534 2.650 40 0 HFABHN CC(C)CNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccc(F)cc3)CC2)O1 ZINC000096036776 559090693 /nfs/dbraw/zinc/09/06/93/559090693.db2.gz RLUIVCIMTZZPOM-LJQANCHMSA-N 0 3 400.498 2.685 40 0 HFABHN Cn1cc(CN2CCC3(C[C@H](CC(=O)N4CCOCC4)c4ccccc43)CC2)cn1 ZINC000096052801 559092383 /nfs/dbraw/zinc/09/23/83/559092383.db2.gz OSRATUZQRJHYEP-FQEVSTJZSA-N 0 3 408.546 2.690 40 0 HFABHN COc1ccc(CN2CCC[C@]3(C(=O)N(C)C)CN(c4ccccn4)C[C@@H]3C2)cc1 ZINC000096056129 559094028 /nfs/dbraw/zinc/09/40/28/559094028.db2.gz MPQQCYYWMNCDQN-RDPSFJRHSA-N 0 3 408.546 2.897 40 0 HFABHN COc1cccc(CN2CCC3(CC2)O[C@H](C(=O)N2CCCCC2)Cn2ccnc23)c1 ZINC000096144802 559096845 /nfs/dbraw/zinc/09/68/45/559096845.db2.gz BHVFCMLKEJVMIN-NRFANRHFSA-N 0 3 424.545 2.794 40 0 HFABHN COc1ncccc1CN1Cc2ccccc2C2(CCN(CC(=O)N(C)C)CC2)C1 ZINC000096242429 559103956 /nfs/dbraw/zinc/10/39/56/559103956.db2.gz QZCFRGGAWPCFOH-UHFFFAOYSA-N 0 3 408.546 2.528 40 0 HFABHN COc1cccc(OC[C@@H](O)CN(C)Cc2ccc(OCCn3cccn3)cc2)c1 ZINC000585271185 559116594 /nfs/dbraw/zinc/11/65/94/559116594.db2.gz SYTFVFCBQWTIIU-FQEVSTJZSA-N 0 3 411.502 2.842 40 0 HFABHN COCC(=O)N1CCN(C2CCCCC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282748 559120251 /nfs/dbraw/zinc/12/02/51/559120251.db2.gz NITSQZMEZPKXNZ-QHCPKHFHSA-N 0 3 404.551 2.537 40 0 HFABHN Cc1cccc(CNC[C@@]2(O)CCN(C(=O)Cc3ccc(Cl)cc3)C[C@@H]2O)c1C ZINC000585283011 559120317 /nfs/dbraw/zinc/12/03/17/559120317.db2.gz AOFFKRNISWEJSK-GMAHTHKFSA-N 0 3 416.949 2.613 40 0 HFABHN CCCCc1ccc(CNC[C@@]2(O)CCN(C(=O)Cc3ccccc3)C[C@@H]2O)cc1 ZINC000585289386 559122438 /nfs/dbraw/zinc/12/24/38/559122438.db2.gz FQOPQHYNVGJPDF-ZCYQVOJMSA-N 0 3 410.558 2.686 40 0 HFABHN Cc1cnc(Nc2cc(C[C@H]3CCCN(C(=O)/C=C/CN(C)C)C3)ncn2)s1 ZINC000585292716 559124403 /nfs/dbraw/zinc/12/44/03/559124403.db2.gz RSMAPURKROAHRY-BIENSFFJSA-N 0 3 400.552 2.884 40 0 HFABHN CCN1CC[C@]2(CN(c3ncccn3)CC23CCN(Cc2ccc(F)cc2)CC3)C1=O ZINC000097952895 559125071 /nfs/dbraw/zinc/12/50/71/559125071.db2.gz JTNDTMHAIZURLQ-DEOSSOPVSA-N 0 3 423.536 2.957 40 0 HFABHN O=S(=O)(c1ccccc1)N1C[C@H]2CN(C3CCN(Cc4ccccc4)CC3)[C@@H]2C1 ZINC000107816066 559166054 /nfs/dbraw/zinc/16/60/54/559166054.db2.gz BJOQEGDXVHMAMJ-NZQKXSOJSA-N 0 3 411.571 2.656 40 0 HFABHN CCCN1CCN(C(=O)CNC)C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000257300151 559285842 /nfs/dbraw/zinc/28/58/42/559285842.db2.gz RTDGNKNFGIWXHP-FQEVSTJZSA-N 0 3 423.557 2.821 40 0 HFABHN COC(=O)CSc1nnc(NC(=O)C2CCN(Cc3ccccc3)CC2)s1 ZINC000225614207 568657128 /nfs/dbraw/zinc/65/71/28/568657128.db2.gz RHOYIIKVMUCHIZ-UHFFFAOYSA-N 0 3 406.533 2.654 40 0 HFABHN CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)c2ccccc2CN2CCCC2)C1 ZINC000257266879 568794534 /nfs/dbraw/zinc/79/45/34/568794534.db2.gz MEZFSBWZNRFXKD-DEOSSOPVSA-N 0 3 406.530 2.597 40 0 HFABHN CN1CCC(Cc2ccccc2F)(C(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)CC1 ZINC000257282661 568799169 /nfs/dbraw/zinc/79/91/69/568799169.db2.gz OURLEKOGCKHRJJ-SFTDATJTSA-N 0 3 414.525 2.501 40 0 HFABHN Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)c2ccc(OCCN3CCCC3)cc2)[C@H]1O ZINC000257306440 568806490 /nfs/dbraw/zinc/80/64/90/568806490.db2.gz SUHDTGGOBBAUSP-YPAWHYETSA-N 0 3 412.534 2.551 40 0 HFABHN COc1ccc(CN2CCO[C@@]3(CN(C4CCC4)C[C@H]3c3cccnc3)C2=O)cc1 ZINC000306125314 568888197 /nfs/dbraw/zinc/88/81/97/568888197.db2.gz CMHACGRMSYKICE-LADGPHEKSA-N 0 3 407.514 2.840 40 0 HFABHN O=C(c1ccc2c(c1)OCO2)N1CCO[C@]2(CCCC[C@H]2NCc2cccnc2)C1 ZINC000306129998 568892476 /nfs/dbraw/zinc/89/24/76/568892476.db2.gz ITRDMNMLAGMEKL-FYYLOGMGSA-N 0 3 409.486 2.754 40 0 HFABHN O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccc4c(c3)OCO4)C[C@H]1C2 ZINC000306136340 568898078 /nfs/dbraw/zinc/89/80/78/568898078.db2.gz PQMUAVORWZQSIC-IAGOWNOFSA-N 0 3 417.469 2.563 40 0 HFABHN O=C1N(Cc2cccnc2)CCO[C@]12CN(Cc1ccsc1)C[C@H]2c1cccnc1 ZINC000306145161 568906412 /nfs/dbraw/zinc/90/64/12/568906412.db2.gz ZZUNTUDDSAEDDY-GMAHTHKFSA-N 0 3 420.538 2.935 40 0 HFABHN CCOC[C@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218169853 568926912 /nfs/dbraw/zinc/92/69/12/568926912.db2.gz OUSLNOBMRLNRBX-QHAWAJNXSA-N 0 3 403.500 2.645 40 0 HFABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218657415 568942810 /nfs/dbraw/zinc/94/28/10/568942810.db2.gz IDDWGOGVDCIUJZ-LQWHRVPQSA-N 0 3 420.506 2.988 40 0 HFABHN O=C(CN1CC[C@H](c2ccccc2)C1)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019369976 569345404 /nfs/dbraw/zinc/34/54/04/569345404.db2.gz BMZDMHVZCICRRQ-LEWJYISDSA-N 0 3 420.557 2.775 40 0 HFABHN CCn1ccnc1CN[C@H]1CC[C@]2(CCC(=O)N2)[C@@H](c2ccc(OC)c(OC)c2)C1 ZINC000019740346 569348662 /nfs/dbraw/zinc/34/86/62/569348662.db2.gz RBQFMUHLVCPUOO-IXFSTUDKSA-N 0 3 412.534 2.995 40 0 HFABHN CCOC(=O)C1C(CNCc2ccc(C)cc2)=NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000054979070 569375501 /nfs/dbraw/zinc/37/55/01/569375501.db2.gz GILMSJQKSVCVIP-NRFANRHFSA-N 0 3 423.469 2.685 40 0 HFABHN CSCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c2ccc(-c2ccccc2CN(C)C)c1=O ZINC000004237222 291226095 /nfs/dbraw/zinc/22/60/95/291226095.db2.gz FGKPAZLEMJWMIF-FUHWJXTLSA-N 0 3 411.571 2.886 40 0 biogenic,in-vitro HFABHN CCOc1nc(C)c(CC(=O)N2CCCC[C@@H]2CN2CCCCC2)c(OCC)n1 ZINC000012275443 558363903 /nfs/dbraw/zinc/36/39/03/558363903.db2.gz YFPCLHMSBOURSH-GOSISDBHSA-N 0 3 404.555 2.992 40 0 HFABHN C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)C1 ZINC000020481519 558375234 /nfs/dbraw/zinc/37/52/34/558375234.db2.gz BMNUAUGFGWLMEO-ZIAGYGMSSA-N 0 3 401.960 2.809 40 0 HFABHN COc1cccc(CN2CCN(Cc3cn(CC(N)=O)c4ccccc34)[C@@H](C)C2)c1 ZINC000022035621 558459268 /nfs/dbraw/zinc/45/92/68/558459268.db2.gz VJXKUNOPIUFFIJ-SFHVURJKSA-N 0 3 406.530 2.842 40 0 HFABHN Cc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2ccc(C(C)C)cc2)cc1 ZINC000013668452 558560365 /nfs/dbraw/zinc/56/03/65/558560365.db2.gz FGPUBXOLVMNEHL-UHFFFAOYSA-N 0 3 417.575 2.992 40 0 HFABHN CCOc1cc(CNC(C)C)c(Br)c(Br)c1OCC(N)=O ZINC000036612918 558728055 /nfs/dbraw/zinc/72/80/55/558728055.db2.gz KPFJYWYWHCUENK-UHFFFAOYSA-N 0 3 424.133 2.972 40 0 HFABHN CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNCCCN3CCOCC3)cc12 ZINC000036740445 558801701 /nfs/dbraw/zinc/80/17/01/558801701.db2.gz XHGKBDGZTSQUFU-UHFFFAOYSA-N 0 3 423.561 2.823 40 0 HFABHN CC(=O)N1CCC[C@H](c2cc(=O)[n-]c(C3CC[NH+](Cc4ccsc4)CC3)n2)C1 ZINC000019017011 558837164 /nfs/dbraw/zinc/83/71/64/558837164.db2.gz PBAIOVZLVVDJQI-SFHVURJKSA-N 0 3 400.548 2.937 40 0 HFABHN COc1cc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)cc(OC)c1OC ZINC000019291363 558863792 /nfs/dbraw/zinc/86/37/92/558863792.db2.gz YUDSBDODEWYLJY-AQKKSAQBSA-N 0 3 401.507 2.566 40 0 HFABHN O=C1CCC[C@]2(CN(Cc3ccc(N4CCOCC4)nc3)C[C@H]2c2ccccc2)N1 ZINC000019373757 558880899 /nfs/dbraw/zinc/88/08/99/558880899.db2.gz CZMQJUJOBBOZEL-XUZZJYLKSA-N 0 3 406.530 2.557 40 0 HFABHN CN(c1ccccc1C(=O)NCc1ccccc1CN1CCCCC1)S(C)(=O)=O ZINC000055430725 558881256 /nfs/dbraw/zinc/88/12/56/558881256.db2.gz DNYSOEKFNAWADE-UHFFFAOYSA-N 0 3 415.559 2.998 40 0 HFABHN CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000058808385 558930199 /nfs/dbraw/zinc/93/01/99/558930199.db2.gz PPDMUIONHXMNCI-GOSISDBHSA-N 0 3 401.532 2.754 40 0 HFABHN CC(C)NC(=O)[C@@H]1CN([C@H](C)Cc2ccc(F)cc2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000072334462 558935699 /nfs/dbraw/zinc/93/56/99/558935699.db2.gz ASYNREOZJHEJKQ-VEDVITAVSA-N 0 3 423.532 2.938 40 0 HFABHN COCCOc1cccc(C[N@@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)c1 ZINC000019593778 558944767 /nfs/dbraw/zinc/94/47/67/558944767.db2.gz SLJZBSMDDCYKEE-IBGZPJMESA-N 0 3 406.486 2.847 40 0 HFABHN COCCOc1cccc(C[N@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)c1 ZINC000019593778 558944769 /nfs/dbraw/zinc/94/47/69/558944769.db2.gz SLJZBSMDDCYKEE-IBGZPJMESA-N 0 3 406.486 2.847 40 0 HFABHN CCN(CC)CCN(CC(=O)NC1CCCCC1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000019681150 558956909 /nfs/dbraw/zinc/95/69/09/558956909.db2.gz LAIJHYKMOOKHKH-UHFFFAOYSA-N 0 3 416.566 2.878 40 0 HFABHN CN1CCCC[C@@H]1CNC(=O)c1ccc(C2CCN(C(=O)c3ccccn3)CC2)nc1 ZINC000019708111 558970150 /nfs/dbraw/zinc/97/01/50/558970150.db2.gz STJYGCZQHAGKIO-HXUWFJFHSA-N 0 3 421.545 2.711 40 0 HFABHN CNc1nc([C@H]2CCCN2)nc2c1CN(CC(=O)N(Cc1ccccc1)C(C)C)CC2 ZINC000019710817 558972898 /nfs/dbraw/zinc/97/28/98/558972898.db2.gz QPSMUBOLMAFCTQ-OAQYLSRUSA-N 0 3 422.577 2.738 40 0 HFABHN CN1CCC(CN2CC[C@@]3(CCCN(C(=O)Cc4cccc(F)c4F)C3)C2=O)CC1 ZINC000585101012 559025643 /nfs/dbraw/zinc/02/56/43/559025643.db2.gz UKRIRJLQOPELTO-HSZRJFAPSA-N 0 3 419.516 2.690 40 0 HFABHN Cc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)N2CCCC2)Cn2ccnc23)s1 ZINC000096036825 559090700 /nfs/dbraw/zinc/09/07/00/559090700.db2.gz CBDIMLCCJXUIML-GOSISDBHSA-N 0 3 400.548 2.766 40 0 HFABHN Cc1ccc(CNC(=O)c2ccc3nnc([C@H]4CCN(Cc5cccnc5)C4)n3c2)o1 ZINC000096156206 559100387 /nfs/dbraw/zinc/10/03/87/559100387.db2.gz DHELOKOJXZOBBA-SFHVURJKSA-N 0 3 416.485 2.945 40 0 HFABHN CN(c1ccc(C(=O)NC2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000113936233 559182232 /nfs/dbraw/zinc/18/22/32/559182232.db2.gz ITQUARKQJHZRBB-UHFFFAOYSA-N 0 3 421.950 2.989 40 0 HFABHN COc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCc3nccn3C)cc2)cc1 ZINC000257256576 559284733 /nfs/dbraw/zinc/28/47/33/559284733.db2.gz KMBFROXHLBXJAP-IBGZPJMESA-N 0 3 411.502 2.879 40 0 HFABHN CN(Cc1ccc(OCCN2CCOCC2)cc1)C[C@@H](O)Cn1ccc2ccccc21 ZINC000257291979 559285763 /nfs/dbraw/zinc/28/57/63/559285763.db2.gz QJMGHKCFCPHEQF-HSZRJFAPSA-N 0 3 423.557 2.845 40 0 HFABHN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCN(C)C)c(Cl)c2)cc1 ZINC000224242348 568574924 /nfs/dbraw/zinc/57/49/24/568574924.db2.gz PNVRRJYXRBIZIK-UHFFFAOYSA-N 0 3 409.939 2.765 40 0 HFABHN CCN(Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC000257275942 568797302 /nfs/dbraw/zinc/79/73/02/568797302.db2.gz NRQAXXFGDGEDTN-HSZRJFAPSA-N 0 3 413.566 2.982 40 0 HFABHN Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)c2cccc(OCCN3CCCC3)c2)[C@H]1O ZINC000257286987 568800764 /nfs/dbraw/zinc/80/07/64/568800764.db2.gz PNYIVXOBXCAHSV-YPAWHYETSA-N 0 3 412.534 2.551 40 0 HFABHN CN1CCC(C(=O)NC[C@H]2C[C@]3(C)[C@@H](CCCC[C@@H]3O)N2C(=O)OC(C)(C)C)CC1 ZINC000257288422 568800970 /nfs/dbraw/zinc/80/09/70/568800970.db2.gz PUCXXUUCXSRGFD-CROMWVBPSA-N 0 3 423.598 2.764 40 0 HFABHN CN(C)CCNC(=O)c1nc([C@H]2CCCN2C(=O)c2ccccc2)n2ccccc12 ZINC000306125279 568888083 /nfs/dbraw/zinc/88/80/83/568888083.db2.gz CLEMMMNYBREHHJ-LJQANCHMSA-N 0 3 405.502 2.603 40 0 HFABHN O=C(NCC1CC1)[C@]12CN(c3ncccn3)C[C@@H]1CN(Cc1cccs1)CCC2 ZINC000306126172 568888944 /nfs/dbraw/zinc/88/89/44/568888944.db2.gz DOUWQYWWDFIFML-PGRDOPGGSA-N 0 3 411.575 2.783 40 0 HFABHN COc1ccccc1CN1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 ZINC000306128552 568891439 /nfs/dbraw/zinc/89/14/39/568891439.db2.gz HDUAANRXOSDPSF-ROUUACIJSA-N 0 3 403.486 2.843 40 0 HFABHN COc1ccccc1CN1C[C@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 ZINC000306128550 568891452 /nfs/dbraw/zinc/89/14/52/568891452.db2.gz HDUAANRXOSDPSF-MSOLQXFVSA-N 0 3 403.486 2.843 40 0 HFABHN O=C(NCC1CC1)[C@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccsc1)CCC2 ZINC000306134971 568897000 /nfs/dbraw/zinc/89/70/00/568897000.db2.gz ODLKFAAHVLJWDS-SIKLNZKXSA-N 0 3 411.575 2.783 40 0 HFABHN COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(Cc3cccc(C)n3)C2)cc1 ZINC000306137067 568898938 /nfs/dbraw/zinc/89/89/38/568898938.db2.gz QKSMOHAJJDKOOI-QHCPKHFHSA-N 0 3 403.486 2.565 40 0 HFABHN c1cc(CN2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc2c1OCO2 ZINC000306137747 568899647 /nfs/dbraw/zinc/89/96/47/568899647.db2.gz REWRCRPTLMWXHK-GOSISDBHSA-N 0 3 421.501 2.674 40 0 HFABHN CCOC(=O)[C@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218118949 568926094 /nfs/dbraw/zinc/92/60/94/568926094.db2.gz FBULYROZECUSEK-WSTZPKSXSA-N 0 3 423.918 2.797 40 0 HFABHN CCN1CCN(c2ccc(N)cc2NC(=O)c2cncc(Br)c2)CC1 ZINC000226259462 569278727 /nfs/dbraw/zinc/27/87/27/569278727.db2.gz IDVJVSQIVRUHQL-UHFFFAOYSA-N 0 3 404.312 2.821 40 0 HFABHN NC[C@]1(N)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252516997 569388089 /nfs/dbraw/zinc/38/80/89/569388089.db2.gz YQGKHYDGFHBWRW-XHSDSOJGSA-N 0 3 415.740 2.698 40 0 HFABHN CNCc1cc(N(C)C)nc([C@H]2CCCN(C(=O)CCc3ccccc3OC)C2)n1 ZINC000019709624 569428917 /nfs/dbraw/zinc/42/89/17/569428917.db2.gz NSPFMJZWBHNFFB-SFHVURJKSA-N 0 3 411.550 2.609 40 0 HFABHN CNCc1cc(NC)nc([C@@H]2CCCN2Cc2cc3c(cc2OC)OCCCO3)n1 ZINC000019760587 569429680 /nfs/dbraw/zinc/42/96/80/569429680.db2.gz YTGVXMHQFRXLFQ-KRWDZBQOSA-N 0 3 413.522 2.745 40 0 HFABHN CN(C)CCNc1nc(Nc2ccc(N3CCOCC3)cc2)cc(-c2ccccn2)n1 ZINC000329021717 571304646 /nfs/dbraw/zinc/30/46/46/571304646.db2.gz OHSOVIUUAUZFNZ-UHFFFAOYSA-N 0 3 419.533 3.092 40 0 HFABHN CCc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(NCCN(C)C)n1 ZINC000329021769 571309746 /nfs/dbraw/zinc/30/97/46/571309746.db2.gz OJCJLMBHSQERDC-UHFFFAOYSA-N 0 3 409.456 3.474 40 0 HFABHN COc1ccccc1-c1cc(C(=O)N2CCC(Cc3cc(N)nc(C)n3)CC2)n[nH]1 ZINC000019758372 558275031 /nfs/dbraw/zinc/27/50/31/558275031.db2.gz RAUZWTDVPZLURC-UHFFFAOYSA-N 0 3 406.490 2.861 40 0 HFABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(OCC)cc1 ZINC000020636800 558396095 /nfs/dbraw/zinc/39/60/95/558396095.db2.gz XFWNWTMHNMWJBT-LEWJYISDSA-N 0 3 421.497 2.850 40 0 HFABHN CC[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(C2CCCCC2)CC1 ZINC000022929623 558523748 /nfs/dbraw/zinc/52/37/48/558523748.db2.gz QPSCWHAWZBKHLO-IBGZPJMESA-N 0 3 412.538 2.852 40 0 HFABHN O=C1CCCN1c1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1 ZINC000031075482 558747845 /nfs/dbraw/zinc/74/78/45/558747845.db2.gz WSYBAQQCGVCSTM-UHFFFAOYSA-N 0 3 413.543 2.888 40 0 HFABHN O=C(Cc1ccc(F)cc1)N1CC[C@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCC2)CC3)C1 ZINC000019333186 558869036 /nfs/dbraw/zinc/86/90/36/558869036.db2.gz XRQHOUFLYWIHHM-KRWDZBQOSA-N 0 3 424.520 2.768 40 0 HFABHN O=C(Cc1ccc(F)cc1)N1CC[C@H](c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCC2)CC3)C1 ZINC000019333186 558869040 /nfs/dbraw/zinc/86/90/40/558869040.db2.gz XRQHOUFLYWIHHM-KRWDZBQOSA-N 0 3 424.520 2.768 40 0 HFABHN O=C(C1CC1)N1CCc2nc([C@H]3CCCN(Cc4ccc(F)cc4)C3)[nH]c(=O)c2C1 ZINC000019334066 558869178 /nfs/dbraw/zinc/86/91/78/558869178.db2.gz AIBVCCVWSKQOSB-KRWDZBQOSA-N 0 3 410.493 2.583 40 0 HFABHN COc1ncc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2cc(C)c(O)c(C)c2)C3)c(OC)n1 ZINC000019569953 558928664 /nfs/dbraw/zinc/92/86/64/558928664.db2.gz GANBXODFSLGAAO-NHJWOMDBSA-N 0 3 413.518 2.936 40 0 HFABHN Cc1oc2c(c1C(=O)N1CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C1)CCCC2 ZINC000019581216 558936894 /nfs/dbraw/zinc/93/68/94/558936894.db2.gz SHLLAJPWKTVSSW-OAHLLOKOSA-N 0 3 410.518 2.970 40 0 HFABHN Cc1oc2c(c1C(=O)N1CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C1)CCCC2 ZINC000019581216 558936896 /nfs/dbraw/zinc/93/68/96/558936896.db2.gz SHLLAJPWKTVSSW-OAHLLOKOSA-N 0 3 410.518 2.970 40 0 HFABHN Cc1ccnn1CCNC(=O)c1ccc([C@@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000019705905 558968487 /nfs/dbraw/zinc/96/84/87/558968487.db2.gz NBXKTMJYRORNBV-HXUWFJFHSA-N 0 3 404.518 2.791 40 0 HFABHN CCC(=O)N[C@H]1CN(Cc2cn(C)nc2C)C[C@@H]1c1cn(C)c2ccc(OC)cc12 ZINC000072395724 558974708 /nfs/dbraw/zinc/97/47/08/558974708.db2.gz MDRBHIMMIADBDV-RTWAWAEBSA-N 0 3 409.534 2.723 40 0 HFABHN Cc1c(CN2CCC[C@@]3(CCC(=O)N3CC(=O)N3CCCC3)CC2)nc2ccccn12 ZINC000585099979 559024505 /nfs/dbraw/zinc/02/45/05/559024505.db2.gz BVYBIFMFEWYFSY-XMMPIXPASA-N 0 3 423.561 2.612 40 0 HFABHN CC(C)CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccc(F)cc3)CC2)O1 ZINC000096036775 559090535 /nfs/dbraw/zinc/09/05/35/559090535.db2.gz RLUIVCIMTZZPOM-IBGZPJMESA-N 0 3 400.498 2.685 40 0 HFABHN COCCN1CCC2(CC3(CCN(C(=O)Nc4ccccc4)CC3)N(C)C2=O)CC1 ZINC000096143682 559096196 /nfs/dbraw/zinc/09/61/96/559096196.db2.gz MEGOJEHFJIIMEE-UHFFFAOYSA-N 0 3 414.550 2.644 40 0 HFABHN COc1cccc(-c2nc3c(s2)N(CC2CC2)[C@@H](C(=O)NCCN(C)C)C3)c1 ZINC000096146758 559098165 /nfs/dbraw/zinc/09/81/65/559098165.db2.gz FKLRZKMYRFWCLM-GOSISDBHSA-N 0 3 400.548 2.638 40 0 HFABHN COc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCCn3cccn3)cc2)cc1 ZINC000585271556 559115831 /nfs/dbraw/zinc/11/58/31/559115831.db2.gz ZQGWMOGLAIQXSB-FQEVSTJZSA-N 0 3 411.502 2.842 40 0 HFABHN COCC(=O)N1CCN(C2CCC(C)(C)CC2)C[C@@](O)(COc2cccc(F)c2)C1 ZINC000585281980 559119778 /nfs/dbraw/zinc/11/97/78/559119778.db2.gz DLZXLKNSIPHYBC-QHCPKHFHSA-N 0 3 422.541 2.695 40 0 HFABHN CCCCc1ccc(CNC[C@]2(O)CN(C(=O)CCc3ccccc3)C[C@H]2O)cc1 ZINC000585290379 559122913 /nfs/dbraw/zinc/12/29/13/559122913.db2.gz ARBKWCKZJZSRNG-NOZRDPDXSA-N 0 3 410.558 2.686 40 0 HFABHN CN(Cc1ccc(OCC(=O)N2CCCC2)cc1)C[C@@H](O)COC1CCCCC1 ZINC000257308800 559286241 /nfs/dbraw/zinc/28/62/41/559286241.db2.gz TYDIVHZHLBKLIX-HXUWFJFHSA-N 0 3 404.551 2.830 40 0 HFABHN Nc1cccc(-c2cn(C[C@H]3C[C@H]4CCN3C[C@@H]4C(=O)NCc3ccccc3)nn2)c1 ZINC000008254376 565090645 /nfs/dbraw/zinc/09/06/45/565090645.db2.gz OOWMNRBQZHRSNH-QIJUGHKUSA-N 0 3 416.529 2.554 40 0 biogenic,in-vitro HFABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 ZINC000223260709 568543016 /nfs/dbraw/zinc/54/30/16/568543016.db2.gz LKZZYBJLOSNISL-SFTDATJTSA-N 0 3 406.559 2.861 40 0 HFABHN CN(C)CCOc1ccc(NC(=O)C(C)(C)NC(=O)OCc2ccccc2)cn1 ZINC000225925324 568686374 /nfs/dbraw/zinc/68/63/74/568686374.db2.gz RIQCEJALXOIYNQ-UHFFFAOYSA-N 0 3 400.479 2.666 40 0 HFABHN CN1C(=O)CCC[C@H]2CN(Cc3cc(C(C)(C)C)ccc3OCC(N)=O)CC[C@H]21 ZINC000257220057 568782013 /nfs/dbraw/zinc/78/20/13/568782013.db2.gz DJIJLQRNTNCUSK-QFBILLFUSA-N 0 3 401.551 2.681 40 0 HFABHN O=C(c1cc(C(F)(F)F)n[n-]1)N1CCC[C@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257244224 568788606 /nfs/dbraw/zinc/78/86/06/568788606.db2.gz IKKVLISNIMBERB-OAHLLOKOSA-N 0 3 410.387 2.517 40 0 HFABHN O=C(CN1C[C@H]2[C@@H](C1)CCC[C@@H]2Cc1cncnc1)Nc1ccc2c(c1)OCCO2 ZINC000257268974 568795375 /nfs/dbraw/zinc/79/53/75/568795375.db2.gz MOAMHVQLWPOWFR-QWFCFKBJSA-N 0 3 408.502 2.777 40 0 HFABHN CC1CCN(CC(=O)N2CCC(COc3cccc(Cl)c3)(CC(N)=O)CC2)CC1 ZINC000257288838 568801085 /nfs/dbraw/zinc/80/10/85/568801085.db2.gz PVYIFTBONRFGSY-UHFFFAOYSA-N 0 3 421.969 2.935 40 0 HFABHN Cc1n[nH]c(C)c1CC(=O)N1CCC[C@](O)(CN(C)Cc2ccc(F)cc2)CC1 ZINC000257291905 568802089 /nfs/dbraw/zinc/80/20/89/568802089.db2.gz QJESIELQRNZORD-JOCHJYFZSA-N 0 3 402.514 2.584 40 0 HFABHN CNC(=O)[C@@]1(c2ccccn2)CCCN1Cc1ccccc1OCCN1CCCC1 ZINC000257335179 568814623 /nfs/dbraw/zinc/81/46/23/568814623.db2.gz YIYSFIRHDUNAHF-DEOSSOPVSA-N 0 3 408.546 2.794 40 0 HFABHN O=C(NC1CCCCC1)c1nnc2n1CC1(CCN(Cc3ccco3)CC1)COC2 ZINC000306125766 568888416 /nfs/dbraw/zinc/88/84/16/568888416.db2.gz DBVGQRZEVUDSKD-UHFFFAOYSA-N 0 3 413.522 2.746 40 0 HFABHN COc1cccc(CN2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306130120 568892428 /nfs/dbraw/zinc/89/24/28/568892428.db2.gz IWNPVSVMNUENQS-LJQANCHMSA-N 0 3 407.518 2.954 40 0 HFABHN Cn1cc(-c2ccc3nnc(C4CCN(Cc5ccc6c(c5)OCO6)CC4)n3n2)cn1 ZINC000306135111 568896972 /nfs/dbraw/zinc/89/69/72/568896972.db2.gz OIBWDWFGKLXAFI-UHFFFAOYSA-N 0 3 417.473 2.633 40 0 HFABHN O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccc4c(c3)OCO4)C[C@@H]1C2 ZINC000306136341 568898145 /nfs/dbraw/zinc/89/81/45/568898145.db2.gz PQMUAVORWZQSIC-IRXDYDNUSA-N 0 3 417.469 2.563 40 0 HFABHN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4scnc4C)C[C@H]2C3)cc1 ZINC000306138837 568900674 /nfs/dbraw/zinc/90/06/74/568900674.db2.gz SIRZFRUFOBEFLJ-HUUCEWRRSA-N 0 3 424.530 2.608 40 0 HFABHN Cc1ccc(CN2C[C@H]3CCn4c(C(=O)NCc5ccc(F)cc5)nnc4[C@@H]3C2)o1 ZINC000306138962 568900956 /nfs/dbraw/zinc/90/09/56/568900956.db2.gz SLTKCMBPEBTNIK-VQIMIIECSA-N 0 3 409.465 2.868 40 0 HFABHN CCOC[C@@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218181472 568927252 /nfs/dbraw/zinc/92/72/52/568927252.db2.gz WITKHYUWSAJNMU-AABGKKOBSA-N 0 3 423.918 2.990 40 0 HFABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Br)cc3)C2(CN)CN)cc1 ZINC000218227129 568928407 /nfs/dbraw/zinc/92/84/07/568928407.db2.gz ONIUQALVLXKTAU-IAGOWNOFSA-N 0 3 409.349 2.601 40 0 HFABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218652364 568942823 /nfs/dbraw/zinc/94/28/23/568942823.db2.gz BTXJLVOOORJGIC-LNLFQRSKSA-N 0 3 411.882 2.927 40 0 HFABHN CCOC[C@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000242592445 568967917 /nfs/dbraw/zinc/96/79/17/568967917.db2.gz OUSLNOBMRLNRBX-PWRODBHTSA-N 0 3 403.500 2.645 40 0 HFABHN Cc1nc(NCc2ccccc2)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1 ZINC000328999258 568972012 /nfs/dbraw/zinc/97/20/12/568972012.db2.gz JVFIEYNCPZQKCW-UHFFFAOYSA-N 0 3 409.515 2.607 40 0 HFABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252514292 569387814 /nfs/dbraw/zinc/38/78/14/569387814.db2.gz BTXJLVOOORJGIC-YQVWRLOYSA-N 0 3 411.882 2.927 40 0 HFABHN C[NH2+]CC(=O)N1CCC(c2cncc([N-]c3ncc(-c4ccccc4)s3)n2)CC1 ZINC000585263229 571305573 /nfs/dbraw/zinc/30/55/73/571305573.db2.gz QJTFJWMWQOQXON-UHFFFAOYSA-N 0 3 408.531 3.269 40 0 HFABHN COCCNC(=O)[C@@H]1Cc2cn(Cc3nccn3C)c3cccc(c23)[C@H](CC(C)C)N1 ZINC000049171768 291222078 /nfs/dbraw/zinc/22/20/78/291222078.db2.gz IOQCBKXLQXUOEB-PMACEKPBSA-N 0 3 423.561 2.787 40 0 biogenic,in-vitro HFABHN COc1cccc(C(=O)N(C)[C@@H]2CCCN(C(=O)CN3CCC(C)CC3)CC2)c1 ZINC000019745585 558266031 /nfs/dbraw/zinc/26/60/31/558266031.db2.gz MAKYRRVHYZBDFV-HXUWFJFHSA-N 0 3 401.551 2.880 40 0 HFABHN Cc1nc([C@@H]2CCCCN2C(=O)C2CCN(C)CC2)ncc1C(=O)N1CCCCC1 ZINC000019765848 558278103 /nfs/dbraw/zinc/27/81/03/558278103.db2.gz RSIXLUONXHXPKO-FQEVSTJZSA-N 0 3 413.566 2.807 40 0 HFABHN CS(=O)(=O)N1Cc2ccccc2O[C@@]2(CCCN(CCc3ccccc3)C2)C1 ZINC000012087211 558322041 /nfs/dbraw/zinc/32/20/41/558322041.db2.gz XPUVMFPINUGKRC-JOCHJYFZSA-N 0 3 400.544 2.918 40 0 HFABHN CC1CCN(CC(=O)N2CCC(c3ccnc4nc(C(F)(F)F)nn43)CC2)CC1 ZINC000012118957 558330099 /nfs/dbraw/zinc/33/00/99/558330099.db2.gz FPEPFUAGZMGGEC-UHFFFAOYSA-N 0 3 410.444 2.581 40 0 HFABHN COc1ccc(-c2nccc3ccn(CC(=O)N[C@@H]4CCCN(C)C4)c32)cc1OC ZINC000012135489 558333831 /nfs/dbraw/zinc/33/38/31/558333831.db2.gz APOYHLDWLXLUOH-GOSISDBHSA-N 0 3 408.502 2.931 40 0 HFABHN Oc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)OCCO4)CC1)O2 ZINC000012329354 558383997 /nfs/dbraw/zinc/38/39/97/558383997.db2.gz HXWDHHGYIQZJAL-RTBURBONSA-N 0 3 413.470 2.548 40 0 HFABHN Oc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)OCCO4)CC1)O2 ZINC000012329350 558384012 /nfs/dbraw/zinc/38/40/12/558384012.db2.gz HXWDHHGYIQZJAL-MOPGFXCFSA-N 0 3 413.470 2.548 40 0 HFABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(O)ccc2O3)cc1OC ZINC000012329685 558384537 /nfs/dbraw/zinc/38/45/37/558384537.db2.gz AUFMEMBJPLRYFX-MOPGFXCFSA-N 0 3 415.486 2.794 40 0 HFABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(O)ccc2O3)cc1OC ZINC000012329689 558384593 /nfs/dbraw/zinc/38/45/93/558384593.db2.gz AUFMEMBJPLRYFX-RTBURBONSA-N 0 3 415.486 2.794 40 0 HFABHN O=C(NCc1ncc[nH]1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372576 558879847 /nfs/dbraw/zinc/87/98/47/558879847.db2.gz OGSSEBFEIOJWQY-WOJBJXKFSA-N 0 3 406.461 2.796 40 0 HFABHN CCc1nc2ccccc2c(=O)n1CC1(O)CCN(Cc2ccc(OC)cc2)CC1 ZINC000019523237 558904414 /nfs/dbraw/zinc/90/44/14/558904414.db2.gz XESBSQGVMGSRTQ-UHFFFAOYSA-N 0 3 407.514 2.995 40 0 HFABHN COc1cc(CN2CCC[C@H](Cn3nnc(-c4ccccn4)n3)C2)cc(OC)c1OC ZINC000019549797 558914655 /nfs/dbraw/zinc/91/46/55/558914655.db2.gz YBOJGWDVIKSYHG-INIZCTEOSA-N 0 3 424.505 2.673 40 0 HFABHN C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(=O)[nH]c(N3CCC(C)CC3)nc2C1 ZINC000072335640 558936929 /nfs/dbraw/zinc/93/69/29/558936929.db2.gz GANMBCCQHXABJQ-QGZVFWFLSA-N 0 3 424.545 2.972 40 0 HFABHN COc1ccc(CCC(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)cc1 ZINC000019590238 558940839 /nfs/dbraw/zinc/94/08/39/558940839.db2.gz YKGTUVIVSCFHIL-KRWDZBQOSA-N 0 3 410.518 2.518 40 0 HFABHN COc1ccc(CCC(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)cc1 ZINC000019590238 558940842 /nfs/dbraw/zinc/94/08/42/558940842.db2.gz YKGTUVIVSCFHIL-KRWDZBQOSA-N 0 3 410.518 2.518 40 0 HFABHN COc1ccc(CN2CCC(CNC(=O)[C@@H]3CCCN(c4cnccn4)C3)CC2)cc1 ZINC000072347701 558944774 /nfs/dbraw/zinc/94/47/74/558944774.db2.gz YVOHAUVVGHXCAP-OAQYLSRUSA-N 0 3 423.561 2.730 40 0 HFABHN O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C3CCCC3)C1)C2=O ZINC000019699648 558966695 /nfs/dbraw/zinc/96/66/95/558966695.db2.gz PEZGXQFIRNLFQX-HXUWFJFHSA-N 0 3 424.545 2.620 40 0 HFABHN COc1ccc(CN2CCC[C@@H](c3nnc(-c4cnccn4)o3)C2)c(OC)c1OC ZINC000072390060 558970478 /nfs/dbraw/zinc/97/04/78/558970478.db2.gz PJWRTVIFCVQOEU-OAHLLOKOSA-N 0 3 411.462 2.932 40 0 HFABHN CCN(CC)CC(=O)NC1CCN(Cc2cc(-c3ccccc3F)nn2C)CC1 ZINC000072390499 558970598 /nfs/dbraw/zinc/97/05/98/558970598.db2.gz XMNOINPFRZMXSL-UHFFFAOYSA-N 0 3 401.530 2.649 40 0 HFABHN CN1CCC(N2CCN(C(=O)c3ccc4nc(-c5ccc(F)cc5)cn4c3)CC2)CC1 ZINC000072391713 558971527 /nfs/dbraw/zinc/97/15/27/558971527.db2.gz UTTIWEJUMIHXPH-UHFFFAOYSA-N 0 3 421.520 2.992 40 0 HFABHN Cc1cc2c(cc1CN1[C@@H]3CC[C@H]1CC(O)(Cn1nc(C4CC4)ccc1=O)C3)OCO2 ZINC000072394966 558973860 /nfs/dbraw/zinc/97/38/60/558973860.db2.gz HIYMNCHWZUYQDK-QRQCMCJISA-N 0 3 423.513 2.716 40 0 HFABHN Cc1cncc(CN2CCC3(CC(NC(=O)c4nnsc4C(C)C)C3)CC2)n1 ZINC000585103945 559025898 /nfs/dbraw/zinc/02/58/98/559025898.db2.gz UJNJDKCXKBBDLN-UHFFFAOYSA-N 0 3 400.552 2.935 40 0 HFABHN CCCN1CCN(C(=O)CN)C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000585183641 559070402 /nfs/dbraw/zinc/07/04/02/559070402.db2.gz XSQFSMUGUXGPCX-IBGZPJMESA-N 0 3 409.530 2.560 40 0 HFABHN CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(Cc2cccs2)CC3)C1=O ZINC000096036567 559090443 /nfs/dbraw/zinc/09/04/43/559090443.db2.gz ZVYHVCUEMLGDED-OAQYLSRUSA-N 0 3 404.580 2.566 40 0 HFABHN O=C(NCCc1cccnc1)c1ccc2ccc(N3CCN(CC4CC4)CC3)n2c1 ZINC000096267353 559108088 /nfs/dbraw/zinc/10/80/88/559108088.db2.gz VZHKPJXWLVKOHH-UHFFFAOYSA-N 0 3 403.530 2.839 40 0 HFABHN COc1ccccc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCCC1 ZINC000585262364 559110888 /nfs/dbraw/zinc/11/08/88/559110888.db2.gz BDSDJRJOAZGIND-YJMBLLCNSA-N 0 3 414.477 2.609 40 0 HFABHN Cc1cc(N2CC[C@@](O)(CN(C)Cc3ccc(OCc4ccccn4)cc3)C2)ncn1 ZINC000585269644 559115856 /nfs/dbraw/zinc/11/58/56/559115856.db2.gz FUJFIAWEBPXTPM-XMMPIXPASA-N 0 3 419.529 2.832 40 0 HFABHN CC(=O)NCCCOc1ccc(CN2CCC[C@@](O)(COc3ccccc3)C2)cc1 ZINC000585279640 559119282 /nfs/dbraw/zinc/11/92/82/559119282.db2.gz DZQCUYWPCSWPMX-DEOSSOPVSA-N 0 3 412.530 2.998 40 0 HFABHN Cn1ccnc1COc1ccc(CN2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)cc1 ZINC000257228921 559283740 /nfs/dbraw/zinc/28/37/40/559283740.db2.gz FVWUFGXQOUJXQR-OAQYLSRUSA-N 0 3 420.504 2.667 40 0 HFABHN CN(Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@H](O)COc1ccccc1 ZINC000257277510 559285196 /nfs/dbraw/zinc/28/51/96/559285196.db2.gz NYGDDWNDODWSAZ-NRFANRHFSA-N 0 3 412.530 2.950 40 0 HFABHN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 ZINC000223680256 568555946 /nfs/dbraw/zinc/55/59/46/568555946.db2.gz ZBSBRMHKPKLPKJ-PMACEKPBSA-N 0 3 407.499 2.803 40 0 HFABHN COC(=O)c1ccc(CS(=O)(=O)NCc2ccccc2CN2CCCC2)cc1 ZINC000224785339 568596862 /nfs/dbraw/zinc/59/68/62/568596862.db2.gz PSWBOWOKVNYQAK-UHFFFAOYSA-N 0 3 402.516 2.689 40 0 HFABHN CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CCc1cc(=O)[n-]c(N)n1 ZINC000257250832 568790567 /nfs/dbraw/zinc/79/05/67/568790567.db2.gz JOEFYEDWFGGUIZ-AEFFLSMTSA-N 0 3 413.522 2.722 40 0 HFABHN CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CCc1cc(=O)[n-]c(N)n1 ZINC000257250832 568790569 /nfs/dbraw/zinc/79/05/69/568790569.db2.gz JOEFYEDWFGGUIZ-AEFFLSMTSA-N 0 3 413.522 2.722 40 0 HFABHN CN(C)S(=O)(=O)N1CCC[C@H](c2cc(-n3ccnc3-c3ccccc3)ccn2)C1 ZINC000257314538 568808605 /nfs/dbraw/zinc/80/86/05/568808605.db2.gz UXKRVBAYSMBQNG-SFHVURJKSA-N 0 3 411.531 2.920 40 0 HFABHN COC1CCN([C@@H]2[C@@H](O)[C@H](Oc3ccccc3)C[C@H]2NC(=O)CC2CCCC2)CC1 ZINC000257341213 568816361 /nfs/dbraw/zinc/81/63/61/568816361.db2.gz ZJJKDDKQVDQUOO-HTDNTCHWSA-N 0 3 416.562 2.743 40 0 HFABHN COc1ccccc1CN1C[C@@H]2Cn3c(nnc3C(=O)NCc3ccccc3)C[C@@H]2C1 ZINC000306126707 568889499 /nfs/dbraw/zinc/88/94/99/568889499.db2.gz FCTAFGHCCDETEJ-WOJBJXKFSA-N 0 3 417.513 2.521 40 0 HFABHN O=C(NCc1ccccc1)c1cn2c(nc1=O)[C@@]1(CCN(Cc3ccccc3)C1)CC2 ZINC000306126778 568889616 /nfs/dbraw/zinc/88/96/16/568889616.db2.gz FEZYZIOOXBADGG-VWLOTQADSA-N 0 3 414.509 2.721 40 0 HFABHN C[C@@H]1CCCCN1C(=O)c1nnc2n1CCN(C)C21CCN(Cc2ccccc2)CC1 ZINC000306129237 568891782 /nfs/dbraw/zinc/89/17/82/568891782.db2.gz HYDPXCBWEZMNIN-LJQANCHMSA-N 0 3 422.577 2.729 40 0 HFABHN CC[C@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3cccc(F)c3)CC1)COC2 ZINC000306132472 568894668 /nfs/dbraw/zinc/89/46/68/568894668.db2.gz LKIOJLIIQBOWSD-INIZCTEOSA-N 0 3 415.513 2.758 40 0 HFABHN O=C1N(Cc2ccncc2)CCO[C@@]12CN(Cc1cccs1)C[C@@H]2c1cccnc1 ZINC000306135898 568897743 /nfs/dbraw/zinc/89/77/43/568897743.db2.gz PEBRGZHAEDBTTO-FYYLOGMGSA-N 0 3 420.538 2.935 40 0 HFABHN c1cc(CN2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc2c1OCO2 ZINC000306137748 568899582 /nfs/dbraw/zinc/89/95/82/568899582.db2.gz REWRCRPTLMWXHK-SFHVURJKSA-N 0 3 421.501 2.674 40 0 HFABHN Cc1ncsc1CN1C[C@@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@H]2C1 ZINC000306140989 568902829 /nfs/dbraw/zinc/90/28/29/568902829.db2.gz VIIWNZRPFCRWKK-UONOGXRCSA-N 0 3 412.494 2.739 40 0 HFABHN CCOC(=O)[C@]1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218655234 568908620 /nfs/dbraw/zinc/90/86/20/568908620.db2.gz VYIBRQWTSZPVGD-ZIFCJYIRSA-N 0 3 411.882 2.927 40 0 HFABHN COC[C@@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218181247 568927275 /nfs/dbraw/zinc/92/72/75/568927275.db2.gz XBFJYMNVCOJWGZ-FHWLQOOXSA-N 0 3 409.891 2.600 40 0 HFABHN CN(C)CCNc1nc(Nc2ccc(N3CCOCC3)cc2)cc(-c2ccncc2)n1 ZINC000329060841 571304704 /nfs/dbraw/zinc/30/47/04/571304704.db2.gz WORDKBYFQMPCQT-UHFFFAOYSA-N 0 3 419.533 3.092 40 0 HFABHN CC(C)NC(=O)[C@H]1CN(Cc2ccncc2)C[C@@H]1c1ccnc(N2CCCCC2)n1 ZINC000019450129 132467367 /nfs/dbraw/zinc/46/73/67/132467367.db2.gz RPBPOJKLPRVKSE-PMACEKPBSA-N 0 3 408.550 2.602 40 0 HFABHN CC(C)(C)C1=NN(CC(=O)N[C@@H]2CN3CCC2CC3)C(=O)c2cc3ccccc3n2C1 ZINC000012145905 558337375 /nfs/dbraw/zinc/33/73/75/558337375.db2.gz KUZGUDYCRJTTDK-GOSISDBHSA-N 0 3 421.545 2.710 40 0 HFABHN O=C1CCc2cc(S(=O)(=O)NC[C@@H]3CCCN(Cc4ccccc4)C3)ccc2N1 ZINC000012239034 558359626 /nfs/dbraw/zinc/35/96/26/558359626.db2.gz GOBWERKELMLQPO-SFHVURJKSA-N 0 3 413.543 2.762 40 0 HFABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1 ZINC000020491834 558378268 /nfs/dbraw/zinc/37/82/68/558378268.db2.gz IUXMAXMJQCCPMZ-KRWDZBQOSA-N 0 3 423.579 2.755 40 0 HFABHN COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1NC(C)=O ZINC000031075381 558747830 /nfs/dbraw/zinc/74/78/30/558747830.db2.gz ZNPVZSAMSFPNJD-UHFFFAOYSA-N 0 3 417.531 2.728 40 0 HFABHN O=C(c1ccccc1F)N1CC[C@@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCC2)CC3)C1 ZINC000019347447 558873853 /nfs/dbraw/zinc/87/38/53/558873853.db2.gz CXYWMOJEWXUCLT-OAHLLOKOSA-N 0 3 410.493 2.839 40 0 HFABHN O=C(c1ccccc1F)N1CC[C@@H](c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCC2)CC3)C1 ZINC000019347447 558873856 /nfs/dbraw/zinc/87/38/56/558873856.db2.gz CXYWMOJEWXUCLT-OAHLLOKOSA-N 0 3 410.493 2.839 40 0 HFABHN O=C([C@@H]1CN(Cc2ccccc2)C[C@]12CCc1ccccc1C2=O)N1CCC(O)CC1 ZINC000019372623 558879800 /nfs/dbraw/zinc/87/98/00/558879800.db2.gz LFGVDLCMRPVDGZ-JYFHCDHNSA-N 0 3 418.537 2.917 40 0 HFABHN Cc1cc(C)n(Cc2c(C)onc2C(=O)N(C[C@@H]2CCCO2)C2CCN(C)CC2)n1 ZINC000019574294 558931928 /nfs/dbraw/zinc/93/19/28/558931928.db2.gz YNSUYKOIBAGUBA-IBGZPJMESA-N 0 3 415.538 2.560 40 0 HFABHN Cc1cc(C)n(Cc2c(C)onc2C(=O)N(C[C@H]2CCCO2)C2CCN(C)CC2)n1 ZINC000019574297 558931974 /nfs/dbraw/zinc/93/19/74/558931974.db2.gz YNSUYKOIBAGUBA-LJQANCHMSA-N 0 3 415.538 2.560 40 0 HFABHN O=C(CNC(=O)c1ccc([C@H]2CCCN(Cc3ccccn3)C2)nc1)N1CCCCC1 ZINC000019705992 558968535 /nfs/dbraw/zinc/96/85/35/558968535.db2.gz PTESNEHGPCGJKW-FQEVSTJZSA-N 0 3 421.545 2.599 40 0 HFABHN CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)C1 ZINC000072394767 558973805 /nfs/dbraw/zinc/97/38/05/558973805.db2.gz RICIDVOPHLKHEU-DHLKQENFSA-N 0 3 421.541 2.749 40 0 HFABHN COc1cc([C@H]2c3cc4c(cc3O[C@H](NCCO)[C@H]2C)OCO4)cc(OC)c1OC ZINC000073410562 558986292 /nfs/dbraw/zinc/98/62/92/558986292.db2.gz CHLPTPUGQIRMDQ-APKAMQJDSA-N 0 3 417.458 2.510 40 0 HFABHN COc1cc([C@@H]2c3cc4c(cc3O[C@H](NCCO)[C@H]2C)OCO4)cc(OC)c1OC ZINC000073410556 558986309 /nfs/dbraw/zinc/98/63/09/558986309.db2.gz CHLPTPUGQIRMDQ-MPEVJZSWSA-N 0 3 417.458 2.510 40 0 HFABHN COC[C@@H]1CC2(CN1Cc1cccnc1)CCN(C(=O)c1csc(C)n1)CC2 ZINC000585103491 559026647 /nfs/dbraw/zinc/02/66/47/559026647.db2.gz GYDOQOCNTNRFKG-SFHVURJKSA-N 0 3 400.548 2.990 40 0 HFABHN Cc1ccc(CN2CCC3(CC2)O[C@H](C(=O)NCC(C)C)Cn2ccnc23)s1 ZINC000096036774 559090559 /nfs/dbraw/zinc/09/05/59/559090559.db2.gz ORVQJJPLBZSFOY-SFHVURJKSA-N 0 3 402.564 2.915 40 0 HFABHN Cn1cc(CN2CCC3(C[C@H](CC(=O)N4CCN(C)CC4)c4ccccc43)CC2)cn1 ZINC000096052929 559092739 /nfs/dbraw/zinc/09/27/39/559092739.db2.gz AAHWOTLXAHXFCD-NRFANRHFSA-N 0 3 421.589 2.605 40 0 HFABHN Cc1ccc(CNC(=O)c2ccc3nnc([C@@H]4CCN(Cc5cccnc5)C4)n3c2)o1 ZINC000096156205 559100287 /nfs/dbraw/zinc/10/02/87/559100287.db2.gz DHELOKOJXZOBBA-GOSISDBHSA-N 0 3 416.485 2.945 40 0 HFABHN O=C(Cc1ccccc1)N1CC[C@H](O)[C@@](O)(CN2CCC(Cc3ccccc3)CC2)C1 ZINC000585283917 559120844 /nfs/dbraw/zinc/12/08/44/559120844.db2.gz ISDBYUXFKITCEA-AZGAKELHSA-N 0 3 422.569 2.508 40 0 HFABHN CC(C)N(Cc1ccccc1)C[C@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1O ZINC000585290561 559123346 /nfs/dbraw/zinc/12/33/46/559123346.db2.gz CRXHZOUIGQABBL-GGAORHGYSA-N 0 3 416.949 2.727 40 0 HFABHN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N3CCNCC3)nc2)cc1 ZINC000072216320 559169445 /nfs/dbraw/zinc/16/94/45/559169445.db2.gz QKLSUOYWAILFJW-HXUWFJFHSA-N 0 3 400.548 2.716 40 0 HFABHN CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[nH]c(=O)n2Cc1ccc(OC)cc1 ZINC000005001841 560620238 /nfs/dbraw/zinc/62/02/38/560620238.db2.gz FEGCIHWFMHLMOZ-GOSISDBHSA-N 0 3 408.502 2.601 40 0 HFABHN Cc1ccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000010111627 560779723 /nfs/dbraw/zinc/77/97/23/560779723.db2.gz YJOCOBJNHYMHRK-UHFFFAOYSA-N 0 3 409.939 2.522 40 0 HFABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccc(F)cc2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 ZINC000604382277 568489581 /nfs/dbraw/zinc/48/95/81/568489581.db2.gz MVHMNMXRLRLTJO-SSGKUCQKSA-N 0 3 407.489 2.973 40 0 biogenic,in-vitro HFABHN CCOC(=O)C1C(CN2CCCC[C@@H]2C)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000057731086 568496490 /nfs/dbraw/zinc/49/64/90/568496490.db2.gz DDRDDUOQMUYICI-VBKZILBWSA-N 0 3 417.506 2.749 40 0 HFABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1cccnc1 ZINC000223260873 568543210 /nfs/dbraw/zinc/54/32/10/568543210.db2.gz LKZZYBJLOSNISL-NHCUHLMSSA-N 0 3 406.559 2.861 40 0 HFABHN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 ZINC000223642969 568554591 /nfs/dbraw/zinc/55/45/91/568554591.db2.gz JXKGTQCIMWXDHI-VQTJNVASSA-N 0 3 407.499 2.803 40 0 HFABHN CCC(=O)N1CCc2cc(S(=O)(=O)NCCCN3CCCC[C@@H]3CC)ccc21 ZINC000225052484 568611343 /nfs/dbraw/zinc/61/13/43/568611343.db2.gz SOCOHUNUTLZQGM-SFHVURJKSA-N 0 3 407.580 2.919 40 0 HFABHN CC(C)n1cc(CN2CCC3(C[C@@H](CNS(=O)(=O)c4ccccc4)O3)CC2)cn1 ZINC000247995403 568746909 /nfs/dbraw/zinc/74/69/09/568746909.db2.gz MGPNAEDXEOMMCI-IBGZPJMESA-N 0 3 418.563 2.566 40 0 HFABHN O=C(CN1CCCC1)N1CCO[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000257247907 568789653 /nfs/dbraw/zinc/78/96/53/568789653.db2.gz JBCPERMBGIRNDB-FQEVSTJZSA-N 0 3 418.925 2.680 40 0 HFABHN CCN(Cc1ccncc1)C[C@]1(O)CCCN(C(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC000257275943 568797325 /nfs/dbraw/zinc/79/73/25/568797325.db2.gz NRQAXXFGDGEDTN-QHCPKHFHSA-N 0 3 413.566 2.982 40 0 HFABHN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4cccc(F)c4)C[C@@H]2C3)cc1 ZINC000306124183 568887266 /nfs/dbraw/zinc/88/72/66/568887266.db2.gz BIQKRLOSIWIFIY-DLBZAZTESA-N 0 3 421.476 2.982 40 0 HFABHN O=c1c(-c2ccccc2)nnc2n1CC[C@@]21CCN(Cc2ccc3c(c2)OCO3)C1 ZINC000306129032 568891605 /nfs/dbraw/zinc/89/16/05/568891605.db2.gz HRXMZVZVIGNGHZ-HSZRJFAPSA-N 0 3 402.454 2.581 40 0 HFABHN CN1C[C@@H](C(=O)NCc2cccs2)OC2(CCN(Cc3cccc(F)c3)CC2)C1 ZINC000306129590 568892134 /nfs/dbraw/zinc/89/21/34/568892134.db2.gz IHQJFZLVBUXROI-FQEVSTJZSA-N 0 3 417.550 2.869 40 0 HFABHN CC(C)n1cc(CN2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@H]3C2)cn1 ZINC000306131594 568893984 /nfs/dbraw/zinc/89/39/84/568893984.db2.gz KJJYIUYJPPTEJW-ZWKOTPCHSA-N 0 3 405.506 2.612 40 0 HFABHN O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccc4c(c3)OCO4)C[C@@H]1C2 ZINC000306136339 568898110 /nfs/dbraw/zinc/89/81/10/568898110.db2.gz PQMUAVORWZQSIC-DLBZAZTESA-N 0 3 417.469 2.563 40 0 HFABHN Cc1cccc(CN2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)n1 ZINC000306136808 568898748 /nfs/dbraw/zinc/89/87/48/568898748.db2.gz QDYQFGBNTAUZCX-HOTGVXAUSA-N 0 3 406.465 2.677 40 0 HFABHN Cc1nnc(CCC(=O)N2CCO[C@@]3(CCCC[C@H]3NCc3cccnc3)C2)s1 ZINC000306144492 568905894 /nfs/dbraw/zinc/90/58/94/568905894.db2.gz ZGNOAGAZCVTYKD-NQIIRXRSSA-N 0 3 415.563 2.504 40 0 HFABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218037134 568924644 /nfs/dbraw/zinc/92/46/44/568924644.db2.gz CYPPSCAOSORZEQ-WFXMLNOXSA-N 0 3 402.516 2.849 40 0 HFABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218118866 568926053 /nfs/dbraw/zinc/92/60/53/568926053.db2.gz FBULYROZECUSEK-HBFSDRIKSA-N 0 3 423.918 2.797 40 0 HFABHN CCOC(=O)[C@]1(CN)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218655400 568942804 /nfs/dbraw/zinc/94/28/04/568942804.db2.gz VYIBRQWTSZPVGD-JENIJYKNSA-N 0 3 411.882 2.927 40 0 HFABHN COc1ccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)NCc3ccco3)nn2)cc1 ZINC000008297615 568988072 /nfs/dbraw/zinc/98/80/72/568988072.db2.gz CIPMOXHUHKCKLW-UEXGIBASSA-N 0 3 421.501 2.574 40 0 biogenic,in-vitro HFABHN COc1ccc(Cn2nnnc2[C@@H](c2ccc(C)cc2)N2CCN3CCC[C@H]3C2)cc1 ZINC000245227900 569313689 /nfs/dbraw/zinc/31/36/89/569313689.db2.gz YDHNHBFVZHYVEZ-JTHBVZDNSA-N 0 3 418.545 2.908 40 0 HFABHN CC(=O)N1C[C@H](C(=O)N(Cc2ccccn2)C2CC2)[C@@H](c2ccc(CN(C)C)cc2)C1 ZINC000019699206 569347001 /nfs/dbraw/zinc/34/70/01/569347001.db2.gz JTOZZGIIDMSBHG-RPWUZVMVSA-N 0 3 420.557 2.896 40 0 HFABHN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccncc4)c3C)C2=O)o1 ZINC000033739196 569351229 /nfs/dbraw/zinc/35/12/29/569351229.db2.gz KEIMRTSEJLTOAC-WQRHYEAKSA-N 0 3 420.425 2.962 40 0 HFABHN CN(C)CCOc1ccc(NC(=O)C2(C3(C(=O)N4CCCCC4)CC3)CC2)cn1 ZINC000225926836 521798742 /nfs/dbraw/zinc/79/87/42/521798742.db2.gz HCBMPENLOKGKAU-UHFFFAOYSA-N 0 3 400.523 2.533 40 0 HFABHN CC(=O)Nc1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccc(C)cc34)C2=O)cc1 ZINC000005274575 557643015 /nfs/dbraw/zinc/64/30/15/557643015.db2.gz MZVAEYZIOLYJRB-NRFANRHFSA-N 0 3 404.470 2.899 40 0 HFABHN Cc1cc(S(=O)(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)ccc1N1CCCC1=O ZINC000019931377 558310315 /nfs/dbraw/zinc/31/03/15/558310315.db2.gz VZWZRFNDKCLOAM-IAGOWNOFSA-N 0 3 407.580 2.768 40 0 HFABHN Cc1ccc(OCCN2C[C@H](C(=O)N(C)C)[C@@]3(C2)COc2ccccc2C3=O)cc1 ZINC000019211085 558848294 /nfs/dbraw/zinc/84/82/94/558848294.db2.gz WEPBOTSDOVZZBJ-HYBUGGRVSA-N 0 3 408.498 2.656 40 0 HFABHN O=C(c1cccc(F)c1)N1CC[C@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCC2)CC3)C1 ZINC000019293507 558865215 /nfs/dbraw/zinc/86/52/15/558865215.db2.gz BGINVEPEYSJTCH-INIZCTEOSA-N 0 3 410.493 2.839 40 0 HFABHN O=C(c1cccc(F)c1)N1CC[C@H](c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCC2)CC3)C1 ZINC000019293507 558865217 /nfs/dbraw/zinc/86/52/17/558865217.db2.gz BGINVEPEYSJTCH-INIZCTEOSA-N 0 3 410.493 2.839 40 0 HFABHN Fc1cccc([C@@H](c2nnnn2CCc2ccccc2)N2CCN3CCC[C@@H]3C2)c1 ZINC000019371434 558879250 /nfs/dbraw/zinc/87/92/50/558879250.db2.gz ZCBOEVSHBCJLLB-YADHBBJMSA-N 0 3 406.509 2.924 40 0 HFABHN CCN(CC)C(=O)[C@H]1CN(Cc2ccncc2C)C[C@@]12CCc1ccccc1C(=O)N2 ZINC000072334371 558935310 /nfs/dbraw/zinc/93/53/10/558935310.db2.gz OMUFFSVSHWWILR-RDGATRHJSA-N 0 3 420.557 2.805 40 0 HFABHN c1coc(CN2CCC(c3nc(N4CCOCC4)ncc3-c3cnccn3)CC2)c1 ZINC000072337040 558937659 /nfs/dbraw/zinc/93/76/59/558937659.db2.gz KKHZULLEIRSDPO-UHFFFAOYSA-N 0 3 406.490 2.743 40 0 HFABHN COc1ccccc1CN(C(=O)c1cc(C(C)C)c2nncn2n1)C1CCN(C)CC1 ZINC000019662929 558953805 /nfs/dbraw/zinc/95/38/05/558953805.db2.gz GIFNHWIIEDNMNU-UHFFFAOYSA-N 0 3 422.533 2.993 40 0 HFABHN COCCOc1cc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)ccc1OC ZINC000072389858 558970246 /nfs/dbraw/zinc/97/02/46/558970246.db2.gz SOBKBPRAGYPKBW-LIMIJEPZSA-N 0 3 415.534 2.574 40 0 HFABHN COc1cc(CN2CCC[C@H](c3nnc(-c4cnccn4)o3)C2)cc(OC)c1OC ZINC000072390055 558970318 /nfs/dbraw/zinc/97/03/18/558970318.db2.gz XYJTYJVZCMAXJG-HNNXBMFYSA-N 0 3 411.462 2.932 40 0 HFABHN COc1ccc2[nH]c(CN3[C@@H]4CC[C@H]3CC(O)(Cn3nc(C)ccc3=O)C4)c(C)c2c1 ZINC000072394806 558973813 /nfs/dbraw/zinc/97/38/13/558973813.db2.gz RCVBHQRESFXNRI-QLCVBSLISA-N 0 3 422.529 2.908 40 0 HFABHN CS(=O)(=O)N1CCn2c(-c3ccccc3)cnc2C12CCN(CC1CC1)CC2 ZINC000096036928 559090729 /nfs/dbraw/zinc/09/07/29/559090729.db2.gz BXMDFFKLZORSTK-UHFFFAOYSA-N 0 3 400.548 2.526 40 0 HFABHN O=C(Nc1cccnc1)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccccc3)CC2)O1 ZINC000096144684 559096859 /nfs/dbraw/zinc/09/68/59/559096859.db2.gz FNFBKVYSYRIWRZ-FQEVSTJZSA-N 0 3 403.486 2.807 40 0 HFABHN COc1cccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2N2CCCCC2)c1 ZINC000585262181 559110495 /nfs/dbraw/zinc/11/04/95/559110495.db2.gz MLGGFMWOCKTFLA-LUKWVAJMSA-N 0 3 410.514 2.860 40 0 HFABHN CN(Cc1ccc(OCCN2CCOCC2)cc1)C[C@H](O)COC1CCCCC1 ZINC000585262555 559111107 /nfs/dbraw/zinc/11/11/07/559111107.db2.gz SWCBPTTZDBTUHT-NRFANRHFSA-N 0 3 406.567 2.540 40 0 HFABHN Cc1cc(N2CC[C@](O)(CN(C)Cc3ccc(OCc4ccccn4)cc3)C2)ncn1 ZINC000585269643 559115799 /nfs/dbraw/zinc/11/57/99/559115799.db2.gz FUJFIAWEBPXTPM-DEOSSOPVSA-N 0 3 419.529 2.832 40 0 HFABHN O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(CN2CCC(C(F)(F)F)CC2)C1 ZINC000585283844 559120823 /nfs/dbraw/zinc/12/08/23/559120823.db2.gz IBZQSPKPEBNRFU-FUHWJXTLSA-N 0 3 420.859 2.552 40 0 HFABHN CC(=O)N1CCN(CC2(O)CCCCCC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585284571 559121166 /nfs/dbraw/zinc/12/11/66/559121166.db2.gz YJJSXVJQCCKBTE-DEOSSOPVSA-N 0 3 418.578 2.663 40 0 HFABHN COc1cccc(OC[C@H](O)CN(C)Cc2ccc(OCc3nccn3C)cc2)c1 ZINC000257206826 559282428 /nfs/dbraw/zinc/28/24/28/559282428.db2.gz BFALIRLPTAVUNV-LJQANCHMSA-N 0 3 411.502 2.879 40 0 HFABHN COc1cccc(OC[C@@H](O)CN(C)Cc2ccc(OCc3nccn3C)cc2)c1 ZINC000257206825 559282445 /nfs/dbraw/zinc/28/24/45/559282445.db2.gz BFALIRLPTAVUNV-IBGZPJMESA-N 0 3 411.502 2.879 40 0 HFABHN CC[C@@H](C)[C@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000015959309 560857750 /nfs/dbraw/zinc/85/77/50/560857750.db2.gz IBXANRPQRNBPCR-ZKSZURHHSA-N 0 3 403.482 2.653 40 0 HFABHN COc1c(Br)cc(Br)cc1CNCCN1CCOCC1 ZINC000022074769 568473988 /nfs/dbraw/zinc/47/39/88/568473988.db2.gz BUNNYJACSIIQLU-UHFFFAOYSA-N 0 3 408.134 2.642 40 0 HFABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 ZINC000223282320 568544060 /nfs/dbraw/zinc/54/40/60/568544060.db2.gz KPGPVCCEGKKEAP-NHCUHLMSSA-N 0 3 406.559 2.861 40 0 HFABHN O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCCCN3CCCCCC3)ccc21 ZINC000224067289 568568395 /nfs/dbraw/zinc/56/83/95/568568395.db2.gz ULKUXPUAIBKIKF-UHFFFAOYSA-N 0 3 405.564 2.530 40 0 HFABHN O=C(c1n[nH]c2c1CCCC2)N1CCC[C@@](O)(CN2CCc3ccccc3C2)CC1 ZINC000257214987 568780326 /nfs/dbraw/zinc/78/03/26/568780326.db2.gz COEXDCLYQCYQCG-DEOSSOPVSA-N 0 3 408.546 2.704 40 0 HFABHN CN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)CN2CCCCC2)C1 ZINC000257240388 568787648 /nfs/dbraw/zinc/78/76/48/568787648.db2.gz HTEVZNCJYQZSKP-HXUWFJFHSA-N 0 3 423.561 2.874 40 0 HFABHN COc1ccc(CN(C)C[C@]2(O)CCCN(C(=O)CC3(O)CCCCC3)CC2)cc1 ZINC000257329792 568812969 /nfs/dbraw/zinc/81/29/69/568812969.db2.gz XLOHRFBLJFGGAD-DEOSSOPVSA-N 0 3 418.578 2.956 40 0 HFABHN COc1ccc(CN2CCC3(CCc4nnc(C(=O)NCC5CC5)n4C3)CC2)cc1 ZINC000306126012 568888496 /nfs/dbraw/zinc/88/84/96/568888496.db2.gz DJIPYDDECBLLAX-UHFFFAOYSA-N 0 3 409.534 2.655 40 0 HFABHN COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CCN(Cc3cccc(C)n3)C2)cc1 ZINC000306137066 568898998 /nfs/dbraw/zinc/89/89/98/568898998.db2.gz QKSMOHAJJDKOOI-HSZRJFAPSA-N 0 3 403.486 2.565 40 0 HFABHN CC[C@@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3ccsc3)CC1)COC2 ZINC000306142529 568903922 /nfs/dbraw/zinc/90/39/22/568903922.db2.gz XCENQZNZHIHDIH-OAHLLOKOSA-N 0 3 403.552 2.681 40 0 HFABHN COc1ccc(CN2CCO[C@]3(CN(CC4CC4)C[C@@H]3c3cccnc3)C2=O)cc1 ZINC000306144273 568905578 /nfs/dbraw/zinc/90/55/78/568905578.db2.gz ZAUYUNSRSGWILJ-VWNXMTODSA-N 0 3 407.514 2.697 40 0 HFABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Br)cc3)[C@@]2(CN)CO)cc1 ZINC000218227634 568928423 /nfs/dbraw/zinc/92/84/23/568928423.db2.gz GFDFATLUFGQKDN-RCCFBDPRSA-N 0 3 410.333 2.635 40 0 HFABHN Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Br)cc3)[C@@]2(CN)CO)cc1 ZINC000218227565 568928439 /nfs/dbraw/zinc/92/84/39/568928439.db2.gz GFDFATLUFGQKDN-FGTMMUONSA-N 0 3 410.333 2.635 40 0 HFABHN CN(C)CCNc1nc(Nc2ccccc2Br)cc(C(F)(F)F)n1 ZINC000329013149 568972601 /nfs/dbraw/zinc/97/26/01/568972601.db2.gz MPGHAAMMLWIJFL-UHFFFAOYSA-N 0 3 404.234 2.819 40 0 HFABHN CN(C)CCNc1nc(Nc2ccccc2Br)cc(-c2cccnc2)n1 ZINC000329031302 568973798 /nfs/dbraw/zinc/97/37/98/568973798.db2.gz QIIKSTRLUAHVJM-UHFFFAOYSA-N 0 3 413.323 2.862 40 0 HFABHN Cc1ccc([C@H](C)C(=O)N[C@H](C)C(=O)N2Cc3ccccc3OC[C@H]2CN(C)C)cc1 ZINC000248125909 569316450 /nfs/dbraw/zinc/31/64/50/569316450.db2.gz OSWNHAWWXIFIKW-NNMXDRDESA-N 0 3 423.557 2.955 40 0 HFABHN COC[C@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252516815 569388056 /nfs/dbraw/zinc/38/80/56/569388056.db2.gz XBFJYMNVCOJWGZ-IPMKNSEASA-N 0 3 409.891 2.600 40 0 HFABHN CNCc1cc(N(C)C)nc([C@H]2CCCN2CC(=O)N(C(C)C)C2CCCCC2)n1 ZINC000019760885 569429653 /nfs/dbraw/zinc/42/96/53/569429653.db2.gz ICAFQJRKZLDMNZ-HXUWFJFHSA-N 0 3 416.614 2.969 40 0 HFABHN Cc1cc(Nc2nc(C3CCN(C(=O)C4(N)CCCCC4)CC3)cn3cccc23)n[nH]1 ZINC000585263010 571307636 /nfs/dbraw/zinc/30/76/36/571307636.db2.gz HKTJXEQWAYJRKO-UHFFFAOYSA-N 0 3 421.549 3.477 40 0 HFABHN CC(C)C[C@@H]1N[C@H](C(=O)NCCCN2CCCC2=O)Cc2cn(C)c3cccc1c23 ZINC000049171487 291217183 /nfs/dbraw/zinc/21/71/83/291217183.db2.gz YZCGTSMGUZIUNQ-PMACEKPBSA-N 0 3 410.562 2.909 40 0 biogenic,in-vitro HFABHN Nc1cccc(-c2cn(C[C@H]3C[C@H]4CCN3C[C@@H]4C(=O)Nc3ccccc3)nn2)c1 ZINC000008254279 291227856 /nfs/dbraw/zinc/22/78/56/291227856.db2.gz LSYVPABZQHGDMF-HBGVWJBISA-N 0 3 402.502 2.876 40 0 biogenic,in-vitro HFABHN COc1ccc(CN2CCC(CNC(=O)[C@H]3CCCN(c4ncccn4)C3)CC2)cc1 ZINC000012184098 132356188 /nfs/dbraw/zinc/35/61/88/132356188.db2.gz VNQCYEOKYUOMKX-NRFANRHFSA-N 0 3 423.561 2.730 40 0 HFABHN CCN1CCC[C@H]1CNC(=O)c1nn(C)c(NC(=O)c2ccccc2Cl)c1F ZINC000041070644 521657829 /nfs/dbraw/zinc/65/78/29/521657829.db2.gz WNTUSXSJYKZOTL-LBPRGKRZSA-N 0 3 407.877 2.679 40 0 HFABHN O=S1(=O)N[C@@H](C2CCN(Cc3ccc4nccnc4c3)CC2)Nc2ccccc21 ZINC000072338940 527317060 /nfs/dbraw/zinc/31/70/60/527317060.db2.gz ZERUMEFPIUEQLP-NRFANRHFSA-N 0 3 409.515 2.572 40 0 HFABHN CN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H]1CCCCN12 ZINC000100202086 557267846 /nfs/dbraw/zinc/26/78/46/557267846.db2.gz INAWKYYRGFLTDR-DBYOASNMSA-N 0 3 401.466 2.532 40 0 HFABHN CN(C)CCNC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000013670999 558562200 /nfs/dbraw/zinc/56/22/00/558562200.db2.gz KTRFXALOQFXAGG-UHFFFAOYSA-N 0 3 409.939 2.598 40 0 HFABHN CC(=O)N1CCc2cc(S(=O)(=O)NCc3ccccc3CN3CCCC3)ccc21 ZINC000031075502 558747889 /nfs/dbraw/zinc/74/78/89/558747889.db2.gz BNLQIZNXRPOWSL-UHFFFAOYSA-N 0 3 413.543 2.670 40 0 HFABHN O=c1[n-]c(C2CC[NH+](C[C@H]3CCOC3)CC2)nc2c1CN(Cc1ccccc1)CC2 ZINC000019372309 558879622 /nfs/dbraw/zinc/87/96/22/558879622.db2.gz GCJNCPRFCORXQJ-LJQANCHMSA-N 0 3 408.546 2.544 40 0 HFABHN CC(C)[N@@H+]1CCc2c(nc([C@@H]3CCCN3C(=O)c3ccc4c(c3)OCO4)[n-]c2=O)C1 ZINC000019448413 558887471 /nfs/dbraw/zinc/88/74/71/558887471.db2.gz BTKWVCQFUOUUJY-KRWDZBQOSA-N 0 3 410.474 2.655 40 0 HFABHN CC(C)[N@H+]1CCc2c(nc([C@@H]3CCCN3C(=O)c3ccc4c(c3)OCO4)[n-]c2=O)C1 ZINC000019448413 558887473 /nfs/dbraw/zinc/88/74/73/558887473.db2.gz BTKWVCQFUOUUJY-KRWDZBQOSA-N 0 3 410.474 2.655 40 0 HFABHN CC(C)NC(=O)[C@H]1CN(Cc2ccccc2F)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019450085 558888715 /nfs/dbraw/zinc/88/87/15/558888715.db2.gz RVQQECCEYCUEKW-OALUTQOASA-N 0 3 411.525 2.956 40 0 HFABHN CCCC(=O)N1CCc2nc([C@@H]3CCC[N@H+](Cc4cccc(OC)c4)C3)[n-]c(=O)c2C1 ZINC000019501590 558899748 /nfs/dbraw/zinc/89/97/48/558899748.db2.gz QRIQPYOVAFUUQF-GOSISDBHSA-N 0 3 424.545 2.843 40 0 HFABHN CCCC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4cccc(OC)c4)C3)[n-]c(=O)c2C1 ZINC000019501590 558899753 /nfs/dbraw/zinc/89/97/53/558899753.db2.gz QRIQPYOVAFUUQF-GOSISDBHSA-N 0 3 424.545 2.843 40 0 HFABHN CN1CCC(n2nccc2NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000019665513 558955699 /nfs/dbraw/zinc/95/56/99/558955699.db2.gz MXFKDEGSKDKBKV-AWEZNQCLSA-N 0 3 401.898 2.795 40 0 HFABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)c1c(C)onc1C(C)C)C2 ZINC000072372414 558959851 /nfs/dbraw/zinc/95/98/51/558959851.db2.gz IMJOYQXICYVXSE-UHFFFAOYSA-N 0 3 412.538 2.946 40 0 HFABHN O=C(CN1CC[C@H](c2ccccc2)C1)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373078 558960785 /nfs/dbraw/zinc/96/07/85/558960785.db2.gz BMZDMHVZCICRRQ-SFTDATJTSA-N 0 3 420.557 2.775 40 0 HFABHN CNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)[C@@H]1CCN1C1CCCCC1 ZINC000019697303 558964930 /nfs/dbraw/zinc/96/49/30/558964930.db2.gz AYIZSEZTSRWWGH-NRFANRHFSA-N 0 3 421.545 2.569 40 0 HFABHN CCc1ncc(CN2CCC[C@H]2CN2Cc3ccccc3OC[C@H]2CN(C)C)cn1 ZINC000257333402 559013444 /nfs/dbraw/zinc/01/34/44/559013444.db2.gz YBJMESQPADEKCN-FCHUYYIVSA-N 0 3 409.578 2.828 40 0 HFABHN Cc1c(CN2CCC[C@@]3(CCC(=O)N3CC(=O)NC(C)C)CC2)nc2ccccn12 ZINC000585100764 559024038 /nfs/dbraw/zinc/02/40/38/559024038.db2.gz VSYXGUZULFTZHV-HSZRJFAPSA-N 0 3 411.550 2.514 40 0 HFABHN CC(C)CN1C[C@@]2(CC1=O)COCCN(Cc1ccc(-c3csnn3)cc1)C2 ZINC000585103240 559026572 /nfs/dbraw/zinc/02/65/72/559026572.db2.gz APTONOXBOMNECJ-NRFANRHFSA-N 0 3 400.548 2.912 40 0 HFABHN CCCN1CCN(CCC(N)=O)C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000585172738 559068785 /nfs/dbraw/zinc/06/87/85/559068785.db2.gz DDQQDGNDMXOZGR-FQEVSTJZSA-N 0 3 423.557 2.951 40 0 HFABHN CCCN1CCN(CCC(N)=O)C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000585172742 559068805 /nfs/dbraw/zinc/06/88/05/559068805.db2.gz DDQQDGNDMXOZGR-HXUWFJFHSA-N 0 3 423.557 2.951 40 0 HFABHN CN(Cc1ccc(OCCN2CCOCC2)cc1)C[C@@H](O)COC1CCCCC1 ZINC000585262562 559111167 /nfs/dbraw/zinc/11/11/67/559111167.db2.gz SWCBPTTZDBTUHT-OAQYLSRUSA-N 0 3 406.567 2.540 40 0 HFABHN COc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCCn3cccn3)cc2)cc1 ZINC000585271557 559115769 /nfs/dbraw/zinc/11/57/69/559115769.db2.gz ZQGWMOGLAIQXSB-HXUWFJFHSA-N 0 3 411.502 2.842 40 0 HFABHN CCOc1ccccc1OC[C@@H](O)CN(C)Cc1cccc(CN2CCOCC2)c1 ZINC000585274191 559118547 /nfs/dbraw/zinc/11/85/47/559118547.db2.gz UHNKJMUCVYSAII-QFIPXVFZSA-N 0 3 414.546 2.789 40 0 HFABHN O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(CN2CCC(c3ccccc3)CC2)C1 ZINC000585286159 559121862 /nfs/dbraw/zinc/12/18/62/559121862.db2.gz WJRNXQWJPHGSOJ-AZGAKELHSA-N 0 3 422.569 2.823 40 0 HFABHN COc1cc(CNC[C@@H]2CCCO2)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000007540348 560751586 /nfs/dbraw/zinc/75/15/86/560751586.db2.gz RUJYYKZSPQFSMQ-IBGZPJMESA-N 0 3 409.490 2.827 40 0 HFABHN CCOC(=O)c1ccc(-c2ccc(CNCCCSc3nnnn3C)o2)cc1 ZINC000007540480 560751619 /nfs/dbraw/zinc/75/16/19/560751619.db2.gz WEMLFWKABXWPOZ-UHFFFAOYSA-N 0 3 401.492 2.919 40 0 HFABHN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC000109047141 560755295 /nfs/dbraw/zinc/75/52/95/560755295.db2.gz YFJKAOWTBVRELA-OAGGEKHMSA-N 0 3 415.625 2.982 40 0 HFABHN Cc1c(Cl)cccc1N(CC(=O)NCCN(C)C)S(=O)(=O)c1ccccc1 ZINC000010111533 560779773 /nfs/dbraw/zinc/77/97/73/560779773.db2.gz CSESDMHFDHFWRL-UHFFFAOYSA-N 0 3 409.939 2.522 40 0 HFABHN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 ZINC000223643017 568554554 /nfs/dbraw/zinc/55/45/54/568554554.db2.gz JXKGTQCIMWXDHI-WOJBJXKFSA-N 0 3 407.499 2.803 40 0 HFABHN O=C(NCCn1nc([C@H]2CCCN(Cc3ccncc3)C2)c2cccnc21)C1CC1 ZINC000257204572 568777452 /nfs/dbraw/zinc/77/74/52/568777452.db2.gz AVGHVQGKTUAPTI-IBGZPJMESA-N 0 3 404.518 2.732 40 0 HFABHN NC(=O)c1sc2ncccc2c1C1CCN(C(=O)CN2CCCCCC2)CC1 ZINC000257228140 568784416 /nfs/dbraw/zinc/78/44/16/568784416.db2.gz FSMSCHYVFZGPCH-UHFFFAOYSA-N 0 3 400.548 2.977 40 0 HFABHN CN(C)CCNC(=O)c1nc([C@@H]2CCCN2C(=O)c2ccccc2)n2ccccc12 ZINC000306125278 568888067 /nfs/dbraw/zinc/88/80/67/568888067.db2.gz CLEMMMNYBREHHJ-IBGZPJMESA-N 0 3 405.502 2.603 40 0 HFABHN O=C1N(Cc2ccncc2)CCO[C@@]12CN(Cc1cccs1)C[C@H]2c1cccnc1 ZINC000306135901 568897830 /nfs/dbraw/zinc/89/78/30/568897830.db2.gz PEBRGZHAEDBTTO-JTHBVZDNSA-N 0 3 420.538 2.935 40 0 HFABHN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4scnc4C)C[C@@H]2C3)cc1 ZINC000306138838 568900564 /nfs/dbraw/zinc/90/05/64/568900564.db2.gz SIRZFRUFOBEFLJ-LSDHHAIUSA-N 0 3 424.530 2.608 40 0 HFABHN COc1ccccc1CN1C[C@@H]2Cn3c(nnc3C(=O)Nc3cccc(F)c3)C[C@@H]2C1 ZINC000306142824 568904420 /nfs/dbraw/zinc/90/44/20/568904420.db2.gz XLDHINRYTJVFGK-IAGOWNOFSA-N 0 3 421.476 2.982 40 0 HFABHN Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Br)cc3)C2(CN)CN)cc1 ZINC000218227383 568928550 /nfs/dbraw/zinc/92/85/50/568928550.db2.gz ONIUQALVLXKTAU-IRXDYDNUSA-N 0 3 409.349 2.601 40 0 HFABHN N[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C1(O)COC1 ZINC000575624106 571049496 /nfs/dbraw/zinc/04/94/96/571049496.db2.gz GVHZZSJPOLDGLM-QFIPXVFZSA-N 0 3 402.494 2.573 40 0 HFABHN O[C@@H]1[C@@H](N2CCC(Cc3ccccc3)CC2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1ccccc1 ZINC000096533292 291230625 /nfs/dbraw/zinc/23/06/25/291230625.db2.gz VLCYTNCQOKSFGG-UUFXTFJOSA-N 0 3 408.542 2.584 40 0 biogenic,in-vitro HFABHN OC1(c2csc(CN3CCN(c4ccccn4)CC3)n2)CCN(CC2CC2)CC1 ZINC000225477398 291230244 /nfs/dbraw/zinc/23/02/44/291230244.db2.gz QIGPHIHHNPEWGE-UHFFFAOYSA-N 0 3 413.591 2.554 40 0 biogenic,in-vitro HFABHN COc1ccc(CN2CCC(CNC(=O)C3CCN(c4ncccn4)CC3)CC2)cc1 ZINC000012184102 132356137 /nfs/dbraw/zinc/35/61/37/132356137.db2.gz KLXGAJNFKDRQBC-UHFFFAOYSA-N 0 3 423.561 2.730 40 0 HFABHN N[C@H](Cc1ccccc1)C(=O)N1CCC(O)(Cn2ccc3nc(Cl)ccc32)CC1 ZINC000012163251 558342005 /nfs/dbraw/zinc/34/20/05/558342005.db2.gz SONSAXIEGKMHLK-QGZVFWFLSA-N 0 3 412.921 2.613 40 0 HFABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1 ZINC000020491831 558378233 /nfs/dbraw/zinc/37/82/33/558378233.db2.gz IUXMAXMJQCCPMZ-QGZVFWFLSA-N 0 3 423.579 2.755 40 0 HFABHN CCOc1ccc(CC(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)cc1 ZINC000019532865 558912793 /nfs/dbraw/zinc/91/27/93/558912793.db2.gz XUENDVLDDIIANS-QGZVFWFLSA-N 0 3 410.518 2.518 40 0 HFABHN CCOc1ccc(CC(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)cc1 ZINC000019532865 558912796 /nfs/dbraw/zinc/91/27/96/558912796.db2.gz XUENDVLDDIIANS-QGZVFWFLSA-N 0 3 410.518 2.518 40 0 HFABHN CN1CCC(N(Cc2cccnc2)C(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)CC1 ZINC000019588162 558940197 /nfs/dbraw/zinc/94/01/97/558940197.db2.gz NSQRBEHUFRTAGB-UHFFFAOYSA-N 0 3 419.485 2.937 40 0 HFABHN Cc1cc(C)nc(Nc2ccc([C@H]3CCCN(CCC(=O)N4CCOCC4)C3)nc2)n1 ZINC000072353281 558950152 /nfs/dbraw/zinc/95/01/52/558950152.db2.gz RYQAGXFYDAYBOA-IBGZPJMESA-N 0 3 424.549 2.660 40 0 HFABHN CC(C)(C)NC(=O)CNC(=O)c1ccc([C@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000019706073 558968739 /nfs/dbraw/zinc/96/87/39/558968739.db2.gz OHFNYVPVTSOPAY-SFHVURJKSA-N 0 3 409.534 2.501 40 0 HFABHN O=C(CN1CCCC1=O)NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000072393389 558972792 /nfs/dbraw/zinc/97/27/92/558972792.db2.gz UEFXPAWOCSUGEW-UHFFFAOYSA-N 0 3 403.954 2.965 40 0 HFABHN CN1CC[C@]2(CN(c3ncccn3)CC23CCN(Cc2ccc(F)cc2)CC3)C1=O ZINC000096036358 559089976 /nfs/dbraw/zinc/08/99/76/559089976.db2.gz WIAHIKAZHNJJJM-QHCPKHFHSA-N 0 3 409.509 2.567 40 0 HFABHN O=C(NCC1CC1)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccc(F)cc1)CCC2 ZINC000096056147 559093814 /nfs/dbraw/zinc/09/38/14/559093814.db2.gz DDQASADPCXHWGX-RDPSFJRHSA-N 0 3 423.536 2.861 40 0 HFABHN CN1CCN(C[C@H]2CO[C@]3(C2)CCCN(C(=O)c2ccc(-n4cccc4)cc2)C3)CC1 ZINC000096228438 559102712 /nfs/dbraw/zinc/10/27/12/559102712.db2.gz HTKWONGZAQDBLJ-OFVILXPXSA-N 0 3 422.573 2.736 40 0 HFABHN Cc1cc(C(=O)N2Cc3ccccc3C3(CCN(Cc4cnn(C)c4)CC3)C2)no1 ZINC000096242583 559104106 /nfs/dbraw/zinc/10/41/06/559104106.db2.gz RJSZIFYJUAKYGT-UHFFFAOYSA-N 0 3 405.502 2.906 40 0 HFABHN CN1C(=O)[C@H]2CN(Cc3cccnc3)C[C@H]2C12CCN(C(=O)Nc1ccccc1)CC2 ZINC000096262261 559106397 /nfs/dbraw/zinc/10/63/97/559106397.db2.gz BEWUZNXMIHYVGC-LEWJYISDSA-N 0 3 419.529 2.668 40 0 HFABHN COc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2N2CCCC2)cc1 ZINC000585262401 559110959 /nfs/dbraw/zinc/11/09/59/559110959.db2.gz NDFBKBYOVILARV-CZYKHXBRSA-N 0 3 414.477 2.609 40 0 HFABHN CCCCc1ccc(CNC[C@]2(O)CN(C(=O)Cc3ccccc3)CC[C@H]2O)cc1 ZINC000585285813 559121724 /nfs/dbraw/zinc/12/17/24/559121724.db2.gz MWSUPSLMBKQGGY-NOZRDPDXSA-N 0 3 410.558 2.686 40 0 HFABHN O=S(=O)(c1cnccc1N1CCNCC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000072210690 559168076 /nfs/dbraw/zinc/16/80/76/559168076.db2.gz IYKZKFOXSNCTGL-UHFFFAOYSA-N 0 3 422.554 2.882 40 0 HFABHN COc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCc3nccn3C)cc2)cc1 ZINC000257256577 559284772 /nfs/dbraw/zinc/28/47/72/559284772.db2.gz KMBFROXHLBXJAP-LJQANCHMSA-N 0 3 411.502 2.879 40 0 HFABHN Cc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCCOCCO)cc2)c(C)c1 ZINC000257284450 559285304 /nfs/dbraw/zinc/28/53/04/559285304.db2.gz PCTPEIPDPAEVML-NRFANRHFSA-N 0 3 403.519 2.563 40 0 HFABHN CN(Cc1ccc(OCCN2CCCC2=O)cc1)C[C@@H](O)COC1CCCCC1 ZINC000257311784 559286277 /nfs/dbraw/zinc/28/62/77/559286277.db2.gz UKZMULWUGNIHPA-HXUWFJFHSA-N 0 3 404.551 2.830 40 0 HFABHN CCOc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)N[C@H](C)CC)cc2c1 ZINC000004161968 560602073 /nfs/dbraw/zinc/60/20/73/560602073.db2.gz HKAGQWOZWJUQDX-OAHLLOKOSA-N 0 3 404.580 2.963 40 0 HFABHN CCOC(=O)C1C(CN2CCCC[C@H]2C)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013566226 560813677 /nfs/dbraw/zinc/81/36/77/560813677.db2.gz DDRDDUOQMUYICI-JLTOFOAXSA-N 0 3 417.506 2.749 40 0 HFABHN Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Br)cc3)[C@@]2(CN)CO)cc1 ZINC000218227735 568476585 /nfs/dbraw/zinc/47/65/85/568476585.db2.gz GFDFATLUFGQKDN-OKZBNKHCSA-N 0 3 410.333 2.635 40 0 HFABHN COC(=O)c1cc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccc1Cl ZINC000223834609 568560355 /nfs/dbraw/zinc/56/03/55/568560355.db2.gz XIEIGDSIKIOXOT-UHFFFAOYSA-N 0 3 423.922 2.679 40 0 HFABHN CCN(Cc1ccncc1)C[C@]1(O)CCCN(C(=O)CC2(O)CCCCC2)CC1 ZINC000257221772 568782541 /nfs/dbraw/zinc/78/25/41/568782541.db2.gz DQLGNLGLMRZYPB-QHCPKHFHSA-N 0 3 403.567 2.732 40 0 HFABHN CN(C)CCOc1cccc(C(=O)N2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)c1 ZINC000257287148 568800678 /nfs/dbraw/zinc/80/06/78/568800678.db2.gz POSRCLHQLSDDSL-GMAHTHKFSA-N 0 3 416.493 2.811 40 0 HFABHN CN(C)S(=O)(=O)N1CCC[C@@H](c2cc(-n3ccnc3-c3ccccc3)ccn2)C1 ZINC000257314537 568808544 /nfs/dbraw/zinc/80/85/44/568808544.db2.gz UXKRVBAYSMBQNG-GOSISDBHSA-N 0 3 411.531 2.920 40 0 HFABHN O=C(c1n[nH]c2ccccc21)N1CCC[C@@](O)(CN2CCc3ccccc3C2)CC1 ZINC000257322664 568811263 /nfs/dbraw/zinc/81/12/63/568811263.db2.gz WGXSGXPDRNWMCT-DEOSSOPVSA-N 0 3 404.514 2.978 40 0 HFABHN C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)c1cc(=O)[n-]c(=O)[nH]1 ZINC000257326037 568812195 /nfs/dbraw/zinc/81/21/95/568812195.db2.gz WVNBILPNYGNLEU-VXXLCZORSA-N 0 3 408.502 2.634 40 0 HFABHN CC(C)n1cc(CN2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@H]3C2)cn1 ZINC000306123199 568886409 /nfs/dbraw/zinc/88/64/09/568886409.db2.gz AHEYWKHEKRHMJC-DLBZAZTESA-N 0 3 423.496 2.751 40 0 HFABHN O=C1N(Cc2ccncc2)CCO[C@]12CN(Cc1ccsc1)C[C@H]2c1cccnc1 ZINC000306127325 568890057 /nfs/dbraw/zinc/89/00/57/568890057.db2.gz FVSMCYSPJBBRCU-GMAHTHKFSA-N 0 3 420.538 2.935 40 0 HFABHN Cc1ccc(CC(=O)N2CCCC3(CCN(C)CC3)[C@H]2CNC(=O)NC(C)C)cc1 ZINC000306130683 568893067 /nfs/dbraw/zinc/89/30/67/568893067.db2.gz JMWUMAVYUADVDE-OAQYLSRUSA-N 0 3 414.594 2.948 40 0 HFABHN Cc1cccc(CN2C[C@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)n1 ZINC000306136807 568898733 /nfs/dbraw/zinc/89/87/33/568898733.db2.gz QDYQFGBNTAUZCX-CVEARBPZSA-N 0 3 406.465 2.677 40 0 HFABHN CCn1cc(CN2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)cn1 ZINC000306138788 568900667 /nfs/dbraw/zinc/90/06/67/568900667.db2.gz SHNJHNGWUCIZQU-REWPJTCUSA-N 0 3 410.566 2.909 40 0 HFABHN Cc1ncsc1CN1C[C@@H]2Cn3c(nnc3C(=O)Nc3cccc(F)c3)C[C@@H]2C1 ZINC000306140990 568902732 /nfs/dbraw/zinc/90/27/32/568902732.db2.gz VIIWNZRPFCRWKK-ZIAGYGMSSA-N 0 3 412.494 2.739 40 0 HFABHN COc1ccc(CN2CCO[C@]3(CN(CC4CC4)C[C@H]3c3cccnc3)C2=O)cc1 ZINC000306144272 568905590 /nfs/dbraw/zinc/90/55/90/568905590.db2.gz ZAUYUNSRSGWILJ-UPVQGACJSA-N 0 3 407.514 2.697 40 0 HFABHN CC[C@@H](C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000016020596 569025776 /nfs/dbraw/zinc/02/57/76/569025776.db2.gz BHKTUHAQVLFBBP-PHTJJYGGSA-N 0 3 421.472 2.792 40 0 HFABHN CCN(CC)CC(=O)N1CCO[C@@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 ZINC000019692640 569346076 /nfs/dbraw/zinc/34/60/76/569346076.db2.gz AEXKJDPGIJWXKK-LJQANCHMSA-N 0 3 415.513 2.590 40 0 HFABHN CNC(=O)c1[nH]c(C2CCN(CC3=CCCOC3)CC2)nc1-c1ccc(OC)cc1 ZINC000019696999 569346804 /nfs/dbraw/zinc/34/68/04/569346804.db2.gz AUYQIHQNRTYPIG-UHFFFAOYSA-N 0 3 410.518 2.971 40 0 HFABHN CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000002506588 569356744 /nfs/dbraw/zinc/35/67/44/569356744.db2.gz INIFZXJIDKCDQU-IRXDYDNUSA-N 0 3 419.547 2.651 40 0 HFABHN CCOC(=O)[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000252514293 569387960 /nfs/dbraw/zinc/38/79/60/569387960.db2.gz BTXJLVOOORJGIC-ZHALLVOQSA-N 0 3 411.882 2.927 40 0 HFABHN COC[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000252516814 569388098 /nfs/dbraw/zinc/38/80/98/569388098.db2.gz XBFJYMNVCOJWGZ-GUDVDZBRSA-N 0 3 409.891 2.600 40 0 HFABHN CN(C)CCNc1nc(Nc2ccc(N3CCOCC3)cc2)cc(-c2cccnc2)n1 ZINC000328968424 571304582 /nfs/dbraw/zinc/30/45/82/571304582.db2.gz CYXQITNVWALIOE-UHFFFAOYSA-N 0 3 419.533 3.092 40 0 HFABHN COc1ccccc1-c1ccnc(N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NCc2ccccc2)n1 ZINC000005433966 291226035 /nfs/dbraw/zinc/22/60/35/291226035.db2.gz UQQCMRUXQBRXOZ-JFJDKTSWSA-N 0 3 418.497 2.889 40 0 biogenic,in-vitro HFABHN O[C@@H]1CCN(Cc2nc(C3(O)CCN(C4CCC(F)(F)CC4)CC3)cs2)C1 ZINC000225422490 291230273 /nfs/dbraw/zinc/23/02/73/291230273.db2.gz SBIQMXRJEZCECV-OAHLLOKOSA-N 0 3 401.523 2.571 40 0 biogenic,in-vitro HFABHN COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCCN(Cc3cnn(C)c3C)C1)O2 ZINC000012235391 558358549 /nfs/dbraw/zinc/35/85/49/558358549.db2.gz GKCXMOHFFZFBDD-JPYJTQIMSA-N 0 3 412.534 2.759 40 0 HFABHN O=C1CCc2cc(S(=O)(=O)NC[C@H]3CCCN(Cc4ccccc4)C3)ccc2N1 ZINC000012239038 558359653 /nfs/dbraw/zinc/35/96/53/558359653.db2.gz GOBWERKELMLQPO-GOSISDBHSA-N 0 3 413.543 2.762 40 0 HFABHN O=C(CC1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 ZINC000039964132 558823203 /nfs/dbraw/zinc/82/32/03/558823203.db2.gz MAFSJHACJMYHSL-QGZVFWFLSA-N 0 3 404.426 2.886 40 0 HFABHN Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@H]1CCCC[C@@H]1C)CC1(CCN(C)CC1)O2 ZINC000019218565 558851122 /nfs/dbraw/zinc/85/11/22/558851122.db2.gz CGFCRNWESZICNR-ICSRJNTNSA-N 0 3 413.562 2.989 40 0 HFABHN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N[C@H](C)C(C)C)CC1(CCN(C)CC1)O2 ZINC000019218394 558851204 /nfs/dbraw/zinc/85/12/04/558851204.db2.gz ZFRJTJCYEMQAQT-QZTJIDSGSA-N 0 3 401.551 2.843 40 0 HFABHN COc1cccc(-c2n[nH]cc2CN2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)c1 ZINC000019291422 558863783 /nfs/dbraw/zinc/86/37/83/558863783.db2.gz KDUPLEOWWVFRDE-LIMIJEPZSA-N 0 3 407.518 2.939 40 0 HFABHN Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNC[C@H]3COc4ccccc4O3)cc12 ZINC000057810343 558890609 /nfs/dbraw/zinc/89/06/09/558890609.db2.gz VYASZLDZUZCACK-SFHVURJKSA-N 0 3 402.454 2.952 40 0 HFABHN COc1ccc(C[N@@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)cc1OC(F)F ZINC000019559774 558920884 /nfs/dbraw/zinc/92/08/84/558920884.db2.gz JUTDJAWOHKFXAU-UHFFFAOYSA-N 0 3 420.460 2.581 40 0 HFABHN COc1ccc(C[N@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)cc1OC(F)F ZINC000019559774 558920887 /nfs/dbraw/zinc/92/08/87/558920887.db2.gz JUTDJAWOHKFXAU-UHFFFAOYSA-N 0 3 420.460 2.581 40 0 HFABHN C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CCN3CCC[C@@H]3C1)[C@@]1(C2)Nc2ccccc2C(=O)N1 ZINC000072326511 558933615 /nfs/dbraw/zinc/93/36/15/558933615.db2.gz FAOJJDMFNZOAEQ-GHUGBGHDSA-N 0 3 408.546 2.671 40 0 HFABHN CC(C)NC(=O)[C@@H]1CN([C@H](C)Cc2ccccc2F)C[C@]12Cc1ccccc1C(=O)N2 ZINC000072334460 558935715 /nfs/dbraw/zinc/93/57/15/558935715.db2.gz SKFGWGMBEGWHKN-FTGWLVSGSA-N 0 3 423.532 2.938 40 0 HFABHN CN1CCC(N(Cc2cccnc2)C(=O)c2ccccc2CN2CCOCC2)CC1 ZINC000019588166 558940071 /nfs/dbraw/zinc/94/00/71/558940071.db2.gz VGCBXJJLOSCLSQ-UHFFFAOYSA-N 0 3 408.546 2.650 40 0 HFABHN COc1cc(CN2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)ccc1OCC(N)=O ZINC000019658724 558950709 /nfs/dbraw/zinc/95/07/09/558950709.db2.gz RQNZPSPJEZZCJC-MRXNPFEDSA-N 0 3 408.502 2.890 40 0 HFABHN CC1(C)C(=O)NCCN1C(=O)c1ccc([C@@H]2CCCN(Cc3ccccc3F)C2)nc1 ZINC000019705985 558968480 /nfs/dbraw/zinc/96/84/80/558968480.db2.gz CPTYUSITVHRPCY-LJQANCHMSA-N 0 3 424.520 2.951 40 0 HFABHN O=C(COc1ccc(CN2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)cc1)N1CCCC1 ZINC000072392552 558972171 /nfs/dbraw/zinc/97/21/71/558972171.db2.gz CYPQUNBYZVVWRU-HOKHCIIBSA-N 0 3 421.541 2.812 40 0 HFABHN CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)[C@H](N)Cc3ccccc3)CC2)C1 ZINC000072394765 558973536 /nfs/dbraw/zinc/97/35/36/558973536.db2.gz RICIDVOPHLKHEU-RDGATRHJSA-N 0 3 421.541 2.749 40 0 HFABHN COc1ccc(F)c(CN2C[C@H]3c4ccccc4[C@@H](NC(=O)C4CC(O)C4)[C@H]3C2)c1 ZINC000585109743 559029484 /nfs/dbraw/zinc/02/94/84/559029484.db2.gz NWNYAXSHBKKEME-YQGRKYAMSA-N 0 3 410.489 2.992 40 0 HFABHN CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(Cc2ccsc2)CC3)C1=O ZINC000096036571 559090449 /nfs/dbraw/zinc/09/04/49/559090449.db2.gz OSLDAQFXCFSBAP-OAQYLSRUSA-N 0 3 404.580 2.566 40 0 HFABHN COc1cccc(CN2CCC3(CC2)O[C@@H](C(=O)N2CCCCC2)Cn2ccnc23)c1 ZINC000096144801 559096891 /nfs/dbraw/zinc/09/68/91/559096891.db2.gz BHVFCMLKEJVMIN-OAQYLSRUSA-N 0 3 424.545 2.794 40 0 HFABHN CN1CC[C@@]2(C(=O)Nc3ccccc3)CCN(S(=O)(=O)c3ccccc3)CC[C@@H]12 ZINC000096145280 559097260 /nfs/dbraw/zinc/09/72/60/559097260.db2.gz ZTMNNLDFXIOYHJ-IFMALSPDSA-N 0 3 413.543 2.800 40 0 HFABHN COCCOc1cc(CN(C)C[C@@H](O)COc2ccc(OC)cc2)ccc1OC ZINC000585262512 559111029 /nfs/dbraw/zinc/11/10/29/559111029.db2.gz HYLUUUBMOZEBMU-GOSISDBHSA-N 0 3 405.491 2.601 40 0 HFABHN O[C@@]1(CNCc2ccc(OCc3ccccn3)cc2)CCN(c2ccc(F)cn2)C1 ZINC000585270050 559116325 /nfs/dbraw/zinc/11/63/25/559116325.db2.gz CZSRVZMFFJJBQI-HSZRJFAPSA-N 0 3 408.477 2.926 40 0 HFABHN O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(CNCc2cccc(Cl)c2)C1 ZINC000585284591 559121321 /nfs/dbraw/zinc/12/13/21/559121321.db2.gz LZXGIGJYUXRFJG-AZUAARDMSA-N 0 3 409.313 2.721 40 0 HFABHN CN(Cc1ccc(OCCO)cc1)C[C@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000257281815 559285314 /nfs/dbraw/zinc/28/53/14/559285314.db2.gz ORCUFQJPQVXPEA-INIZCTEOSA-N 0 3 423.435 2.919 40 0 HFABHN CCOC[C@@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218169783 568475993 /nfs/dbraw/zinc/47/59/93/568475993.db2.gz OUSLNOBMRLNRBX-HKBOAZHASA-N 0 3 403.500 2.645 40 0 HFABHN CCN(c1ccc(C(=O)NC2CCN(C)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000224366943 568579372 /nfs/dbraw/zinc/57/93/72/568579372.db2.gz KTDCXWPFAGRWAK-UHFFFAOYSA-N 0 3 401.532 2.726 40 0 HFABHN CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCCC1)c1ccccc1 ZINC000224813236 568598367 /nfs/dbraw/zinc/59/83/67/568598367.db2.gz CBJNMBMUVZIOKT-UHFFFAOYSA-N 0 3 415.559 2.755 40 0 HFABHN CCOC(=O)[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 ZINC000242473210 568598775 /nfs/dbraw/zinc/59/87/75/568598775.db2.gz FBULYROZECUSEK-QWFCFKBJSA-N 0 3 423.918 2.797 40 0 HFABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Br)cc3)[C@]2(CN)CO)cc1 ZINC000242495425 568738011 /nfs/dbraw/zinc/73/80/11/568738011.db2.gz GFDFATLUFGQKDN-KURKYZTESA-N 0 3 410.333 2.635 40 0 HFABHN O=C(NCCn1nc([C@@H]2CCCN(Cc3ccncc3)C2)c2cccnc21)C1CC1 ZINC000257204573 568777564 /nfs/dbraw/zinc/77/75/64/568777564.db2.gz AVGHVQGKTUAPTI-LJQANCHMSA-N 0 3 404.518 2.732 40 0 HFABHN COC[C@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218217160 568836351 /nfs/dbraw/zinc/83/63/51/568836351.db2.gz WHDXJJAXFNAVHT-FGTMMUONSA-N 0 3 410.333 2.980 40 0 HFABHN CN1C[C@@H](C(=O)NCc2cccs2)OC2(CCN(Cc3ccccc3F)CC2)C1 ZINC000306124576 568887643 /nfs/dbraw/zinc/88/76/43/568887643.db2.gz BTVLIZHEENSBOG-FQEVSTJZSA-N 0 3 417.550 2.869 40 0 HFABHN O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3cccc(F)c3)C[C@H]1C2 ZINC000306125479 568888133 /nfs/dbraw/zinc/88/81/33/568888133.db2.gz CSFQLXMSXQGMIU-MOPGFXCFSA-N 0 3 405.477 2.652 40 0 HFABHN Cn1nccc1-c1ccc2nnc(C3CCN(Cc4ccc5c(c4)OCO5)CC3)n2n1 ZINC000306131689 568894000 /nfs/dbraw/zinc/89/40/00/568894000.db2.gz KMRAKCFKYVMEGS-UHFFFAOYSA-N 0 3 417.473 2.633 40 0 HFABHN O=C1N(Cc2cccnc2)CCO[C@]12CN(Cc1cccs1)C[C@@H]2c1cccnc1 ZINC000306138236 568900186 /nfs/dbraw/zinc/90/01/86/568900186.db2.gz RSXRIJIMUMDSEM-GGAORHGYSA-N 0 3 420.538 2.935 40 0 HFABHN CCn1cc(CN2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)cn1 ZINC000306138787 568900688 /nfs/dbraw/zinc/90/06/88/568900688.db2.gz SHNJHNGWUCIZQU-OFNKIYASSA-N 0 3 410.566 2.909 40 0 HFABHN Cn1cc(C(=O)N2CCO[C@]3(CCCC[C@@H]3N3CCCC3)C2)c(=O)c2ccccc21 ZINC000306143586 568905015 /nfs/dbraw/zinc/90/50/15/568905015.db2.gz YGJZWUDEQKDDHB-XUZZJYLKSA-N 0 3 409.530 2.788 40 0 HFABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218037217 568924651 /nfs/dbraw/zinc/92/46/51/568924651.db2.gz CYPPSCAOSORZEQ-BBTUJRGHSA-N 0 3 402.516 2.849 40 0 HFABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218657505 568942688 /nfs/dbraw/zinc/94/26/88/568942688.db2.gz IDDWGOGVDCIUJZ-LVCYWYKZSA-N 0 3 420.506 2.988 40 0 HFABHN CN(C)CCNc1nc(Nc2ccc(Br)c(F)c2)cc(C(F)(F)F)n1 ZINC000328963468 568969840 /nfs/dbraw/zinc/96/98/40/568969840.db2.gz BOKGDQHDNBUCCA-UHFFFAOYSA-N 0 3 422.224 2.958 40 0 HFABHN CCOC[C@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242701667 568970137 /nfs/dbraw/zinc/97/01/37/568970137.db2.gz WITKHYUWSAJNMU-XUVXKRRUSA-N 0 3 423.918 2.990 40 0 HFABHN C[C@@H]1Oc2ccccc2O[C@H]1CN1CCC2(CC1)C(=O)N(C)CN2c1ccccc1 ZINC000095869982 569069946 /nfs/dbraw/zinc/06/99/46/569069946.db2.gz XCURAXQEILSZCX-AVRDEDQJSA-N 0 3 407.514 2.986 40 0 HFABHN CCN(C(=O)CN1CCC[C@H](c2nc(CNC)cc(N(C)C)n2)C1)c1cccc(C)c1 ZINC000019709636 569348098 /nfs/dbraw/zinc/34/80/98/569348098.db2.gz CSXUHZXYBOGJAB-IBGZPJMESA-N 0 3 424.593 2.803 40 0 HFABHN CCOC(=O)[C@]1(CN)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252516693 569388077 /nfs/dbraw/zinc/38/80/77/569388077.db2.gz VYIBRQWTSZPVGD-YQVWRLOYSA-N 0 3 411.882 2.927 40 0 HFABHN CC(=O)N1CCCN(C(=O)[C@@H]2Cc3cn(C)c4cccc(c34)[C@H](CC(C)C)N2)CC1 ZINC000049171474 291215243 /nfs/dbraw/zinc/21/52/43/291215243.db2.gz VOGLGEZJVPOOJM-SFTDATJTSA-N 0 3 410.562 2.861 40 0 biogenic,in-vitro HFABHN COC[C@@H](O)CNCc1cc2c(-c3cccc(F)c3)nn(-c3ccccc3)c2[nH]c1=O ZINC000012146451 558337884 /nfs/dbraw/zinc/33/78/84/558337884.db2.gz MQSNWVHIVFCMOO-IBGZPJMESA-N 0 3 422.460 2.617 40 0 HFABHN Oc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)OCCO4)CC1)O2 ZINC000012329360 558384025 /nfs/dbraw/zinc/38/40/25/558384025.db2.gz HXWDHHGYIQZJAL-OALUTQOASA-N 0 3 413.470 2.548 40 0 HFABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@@H]1c1ccc(C)cc1 ZINC000020637189 558396393 /nfs/dbraw/zinc/39/63/93/558396393.db2.gz IZJSJUGWVYAWQP-LEWJYISDSA-N 0 3 420.513 2.523 40 0 HFABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@H]1c1cccc(C)c1 ZINC000020801409 558415297 /nfs/dbraw/zinc/41/52/97/558415297.db2.gz OHRMUNGSBUFMIO-RTWAWAEBSA-N 0 3 420.513 2.523 40 0 HFABHN CC[C@@H](C(=O)NCCN1CCCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013715033 558578548 /nfs/dbraw/zinc/57/85/48/558578548.db2.gz ZZZWHRPDSRHTGV-SFHVURJKSA-N 0 3 415.987 2.877 40 0 HFABHN Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@H]1CCCC[C@@H]1C)CC1(CCN(C)CC1)O2 ZINC000019218571 558851180 /nfs/dbraw/zinc/85/11/80/558851180.db2.gz CGFCRNWESZICNR-AZUAARDMSA-N 0 3 413.562 2.989 40 0 HFABHN COc1ccc([C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 ZINC000019285471 558859956 /nfs/dbraw/zinc/85/99/56/558859956.db2.gz HALSHUWKHFXBEW-LEWJYISDSA-N 0 3 424.545 2.528 40 0 HFABHN O=C(Cc1ccc(F)cc1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCC2)CC3)C1 ZINC000019333182 558868943 /nfs/dbraw/zinc/86/89/43/558868943.db2.gz XRQHOUFLYWIHHM-QGZVFWFLSA-N 0 3 424.520 2.768 40 0 HFABHN O=C(Cc1ccc(F)cc1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCC2)CC3)C1 ZINC000019333182 558868946 /nfs/dbraw/zinc/86/89/46/558868946.db2.gz XRQHOUFLYWIHHM-QGZVFWFLSA-N 0 3 424.520 2.768 40 0 HFABHN CC(C)[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)Cc3cc(F)ccc3F)[n-]c(=O)c2C1 ZINC000019448245 558887191 /nfs/dbraw/zinc/88/71/91/558887191.db2.gz RHYIUWJFZMMBFT-IBGZPJMESA-N 0 3 416.472 2.721 40 0 HFABHN CC(C)[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)Cc3cc(F)ccc3F)[n-]c(=O)c2C1 ZINC000019448245 558887192 /nfs/dbraw/zinc/88/71/92/558887192.db2.gz RHYIUWJFZMMBFT-IBGZPJMESA-N 0 3 416.472 2.721 40 0 HFABHN COc1ccc(-c2cnc(N)nc2[C@H]2CCCN(C(=O)C3CCN(C)CC3)C2)cc1 ZINC000072346254 558943066 /nfs/dbraw/zinc/94/30/66/558943066.db2.gz GVSOLXVUEZCEPA-SFHVURJKSA-N 0 3 409.534 2.782 40 0 HFABHN COc1ccc(CN(C(=O)c2cc(C(C)C)c3nncn3n2)C2CCN(C)CC2)cc1 ZINC000019662894 558953854 /nfs/dbraw/zinc/95/38/54/558953854.db2.gz PFGBJNXWQPYMMV-UHFFFAOYSA-N 0 3 422.533 2.993 40 0 HFABHN Cc1cc(NCCNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c2ccccc2n1 ZINC000019664936 558955199 /nfs/dbraw/zinc/95/51/99/558955199.db2.gz TYEVJWCXUHOBTP-UHFFFAOYSA-N 0 3 423.517 2.572 40 0 HFABHN CNC(=O)c1ccc(-c2ccc(C3CCN(C(=O)[C@H](C)N4CCCC4)CC3)nc2)cn1 ZINC000019689104 558958546 /nfs/dbraw/zinc/95/85/46/558958546.db2.gz XOJQXVJJAOHGEF-KRWDZBQOSA-N 0 3 421.545 2.694 40 0 HFABHN CC(=O)N1CCc2nc(C3CCN(C)CC3)nc(NCCOc3ccccc3C)c2C1 ZINC000019710446 558972413 /nfs/dbraw/zinc/97/24/13/558972413.db2.gz XFUYWJKXPQEEMZ-UHFFFAOYSA-N 0 3 423.561 2.990 40 0 HFABHN O=C(CN1CCOCC1)N1CCC[C@]2(CCCN2Cc2cc(F)ccc2F)CC1 ZINC000585100387 559024035 /nfs/dbraw/zinc/02/40/35/559024035.db2.gz KRSNAWVJMXZRMB-QFIPXVFZSA-N 0 3 407.505 2.644 40 0 HFABHN Cc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)NCC(C)C)Cn2ccnc23)s1 ZINC000096036773 559090584 /nfs/dbraw/zinc/09/05/84/559090584.db2.gz ORVQJJPLBZSFOY-GOSISDBHSA-N 0 3 402.564 2.915 40 0 HFABHN CC(=O)N1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1cccs1)CC2 ZINC000096036932 559090739 /nfs/dbraw/zinc/09/07/39/559090739.db2.gz MMEVRDBLHMUYHH-UHFFFAOYSA-N 0 3 410.547 2.699 40 0 HFABHN CN1CCN(C[C@@H]2CO[C@@]3(C2)CCCN(C(=O)c2ccc(-n4cccc4)cc2)C3)CC1 ZINC000096228437 559102685 /nfs/dbraw/zinc/10/26/85/559102685.db2.gz HTKWONGZAQDBLJ-PXDATVDWSA-N 0 3 422.573 2.736 40 0 HFABHN O=C(Nc1ccccc1)N1CCC2(CN(Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000096262536 559106547 /nfs/dbraw/zinc/10/65/47/559106547.db2.gz KPTSGRDMBUSPHX-XMMPIXPASA-N 0 3 419.529 2.718 40 0 HFABHN CCOCCOc1ccc(CN2C[C@H](O)[C@@H](N(C)Cc3ccc(OC)cc3)C2)cc1 ZINC000585269973 559116136 /nfs/dbraw/zinc/11/61/36/559116136.db2.gz RZDBZZYMUMLLOQ-ZEQRLZLVSA-N 0 3 414.546 2.788 40 0 HFABHN COCC(=O)N1CCN(C2CCCCCC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282697 559120192 /nfs/dbraw/zinc/12/01/92/559120192.db2.gz NACRVPLXGFPNKQ-DEOSSOPVSA-N 0 3 418.578 2.927 40 0 HFABHN Cn1ccnc1COc1ccc(CN2CC[C@](O)(CN3CCC(F)(F)CC3)C2)cc1 ZINC000257228920 559283775 /nfs/dbraw/zinc/28/37/75/559283775.db2.gz FVWUFGXQOUJXQR-NRFANRHFSA-N 0 3 420.504 2.667 40 0 HFABHN CN1CCN([C@H]2CC[C@](CNC(=O)c3ccccc3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257241522 559284289 /nfs/dbraw/zinc/28/42/89/559284289.db2.gz HYIDNAJJWITBOE-GNKBHMEESA-N 0 3 421.585 2.905 40 0 HFABHN CN(Cc1cccnc1)C[C@@H]1CCC2(CN(C(=O)[C@H]3Cc4ccccc4O3)C2)OC1 ZINC000575403346 560546876 /nfs/dbraw/zinc/54/68/76/560546876.db2.gz IJDBNMKEDOCCEK-SIKLNZKXSA-N 0 3 407.514 2.525 40 0 HFABHN OC[C@H]1[C@H](O)C[C@@H](NCc2cccc(Cl)c2)[C@@H]1Cc1ccnc(-c2cccnc2)n1 ZINC000604382652 568489477 /nfs/dbraw/zinc/48/94/77/568489477.db2.gz XHBGRZXYHRGAIK-GXRSIYKFSA-N 0 3 424.932 2.882 40 0 biogenic,in-vitro HFABHN CCOC(=O)C1C(CN2CCCC[C@@H]2C)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000057731090 568496385 /nfs/dbraw/zinc/49/63/85/568496385.db2.gz DDRDDUOQMUYICI-XOBRGWDASA-N 0 3 417.506 2.749 40 0 HFABHN COCCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C ZINC000223264667 568543318 /nfs/dbraw/zinc/54/33/18/568543318.db2.gz VFJXLLNQENDAOC-WOJBJXKFSA-N 0 3 401.580 2.680 40 0 HFABHN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 ZINC000223642864 568554526 /nfs/dbraw/zinc/55/45/26/568554526.db2.gz JXKGTQCIMWXDHI-PMACEKPBSA-N 0 3 407.499 2.803 40 0 HFABHN CC(=O)N[C@@]1(C)C[C@@H](c2ccc(OCCN(C)C)cc2)O[C@H]2[C@H](O)C(C)=CC[C@H]21 ZINC000257262762 568793608 /nfs/dbraw/zinc/79/36/08/568793608.db2.gz LMUFJZMYVXAESG-KCSJKLDESA-N 0 3 402.535 2.679 40 0 HFABHN CC(=O)NCCn1nc([C@H]2CCCN(Cc3c[nH]nc3C(C)(C)C)C2)c2cccnc21 ZINC000257274294 568796959 /nfs/dbraw/zinc/79/69/59/568796959.db2.gz NKKBGGRXSCTSPA-KRWDZBQOSA-N 0 3 423.565 2.968 40 0 HFABHN COC[C@@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218217068 568836413 /nfs/dbraw/zinc/83/64/13/568836413.db2.gz WHDXJJAXFNAVHT-SQNIBIBYSA-N 0 3 410.333 2.980 40 0 HFABHN O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3cccc(F)c3)C[C@@H]1C2 ZINC000306125480 568888231 /nfs/dbraw/zinc/88/82/31/568888231.db2.gz CSFQLXMSXQGMIU-OALUTQOASA-N 0 3 405.477 2.652 40 0 HFABHN O=C1N(Cc2ccncc2)CCO[C@]12CN(Cc1ccsc1)C[C@@H]2c1cccnc1 ZINC000306127324 568890092 /nfs/dbraw/zinc/89/00/92/568890092.db2.gz FVSMCYSPJBBRCU-GGAORHGYSA-N 0 3 420.538 2.935 40 0 HFABHN COc1ccc(CN2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc1 ZINC000306128680 568891485 /nfs/dbraw/zinc/89/14/85/568891485.db2.gz HHZWHGIJSYGBCF-LJQANCHMSA-N 0 3 407.518 2.954 40 0 HFABHN CC(C)n1cc(CN2C[C@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306131591 568893871 /nfs/dbraw/zinc/89/38/71/568893871.db2.gz KJJYIUYJPPTEJW-MSOLQXFVSA-N 0 3 405.506 2.612 40 0 HFABHN Cc1ccc(CN2CCC[C@@]3(C(=O)NCC4CC4)CN(c4ncccn4)C[C@@H]3C2)o1 ZINC000306132044 568894444 /nfs/dbraw/zinc/89/44/44/568894444.db2.gz KWIJBYNQBIXHCE-WMZHIEFXSA-N 0 3 409.534 2.623 40 0 HFABHN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4cccc(C)n4)C[C@H]2C3)cc1 ZINC000306136005 568898019 /nfs/dbraw/zinc/89/80/19/568898019.db2.gz PGJFWCYTMSLNTL-IAGOWNOFSA-N 0 3 418.501 2.547 40 0 HFABHN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4cccc(C)n4)C[C@@H]2C3)cc1 ZINC000306136004 568898046 /nfs/dbraw/zinc/89/80/46/568898046.db2.gz PGJFWCYTMSLNTL-DLBZAZTESA-N 0 3 418.501 2.547 40 0 HFABHN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4ccccc4F)C[C@H]2C3)cc1 ZINC000306137696 568899613 /nfs/dbraw/zinc/89/96/13/568899613.db2.gz RDEALECEEPJTER-SJORKVTESA-N 0 3 421.476 2.982 40 0 HFABHN Cc1ccc(CN2C[C@@H]3Cn4cc(C(=O)NC5CCCCC5)c(=O)nc4[C@@H]3C2)s1 ZINC000306139694 568901604 /nfs/dbraw/zinc/90/16/04/568901604.db2.gz TXWHKQJVHSEQFR-CRAIPNDOSA-N 0 3 412.559 2.905 40 0 HFABHN O=S(=O)(c1cccc(F)c1)N1CCO[C@@]2(CCCC[C@@H]2NCc2cccnc2)C1 ZINC000306143480 568904851 /nfs/dbraw/zinc/90/48/51/568904851.db2.gz YDCVOTFNQCKWLQ-SFTDATJTSA-N 0 3 419.522 2.713 40 0 HFABHN O=C1N(Cc2cccnc2)CCO[C@]12CN(Cc1ccsc1)C[C@@H]2c1cccnc1 ZINC000306145160 568906445 /nfs/dbraw/zinc/90/64/45/568906445.db2.gz ZZUNTUDDSAEDDY-GGAORHGYSA-N 0 3 420.538 2.935 40 0 HFABHN CN(C)CCNc1nc(Nc2ccccc2OC(F)(F)F)cc(-c2ccccn2)n1 ZINC000329049603 568974695 /nfs/dbraw/zinc/97/46/95/568974695.db2.gz UREDMNRNHWLSMK-UHFFFAOYSA-N 0 3 418.423 2.998 40 0 HFABHN Cn1cc(-c2nc3cc(NC(=O)[C@H](N)C4CCCCC4)cc4c3-c2c[nH][nH]c4=O)cn1 ZINC000019862643 569188567 /nfs/dbraw/zinc/18/85/67/569188567.db2.gz YFNWWNRZJGMDBR-LJQANCHMSA-N 0 3 419.489 2.603 40 0 in-man HFABHN O[C@H]1CC[C@@H](Cc2cc(COc3ccccc3)on2)O[C@@H]1CNCc1cccnc1 ZINC000096269001 291230308 /nfs/dbraw/zinc/23/03/08/291230308.db2.gz FSZSMEDPMSMWES-ACIOBRDBSA-N 0 3 409.486 2.889 40 0 biogenic,in-vitro HFABHN C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(=O)[nH]c(N3CCC[C@H](C)C3)nc2C1 ZINC000012184759 132356200 /nfs/dbraw/zinc/35/62/00/132356200.db2.gz TZYYXZFSOYCCLX-IRXDYDNUSA-N 0 3 424.545 2.972 40 0 HFABHN Cc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2ccccc2Cl)cc1 ZINC000010111540 557855162 /nfs/dbraw/zinc/85/51/62/557855162.db2.gz OVUMYZVVSGIGFN-UHFFFAOYSA-N 0 3 409.939 2.522 40 0 HFABHN O=C(Cn1cc(NC(=O)c2ccccn2)cn1)Nc1ccccc1CN1CCCC1 ZINC000019749662 558269232 /nfs/dbraw/zinc/26/92/32/558269232.db2.gz GQNKRDCJZHYOCT-UHFFFAOYSA-N 0 3 404.474 2.765 40 0 HFABHN Cn1c2ccc(S(=O)(=O)NCc3ccccc3CN3CCCCC3)cc2oc1=O ZINC000012239530 558360164 /nfs/dbraw/zinc/36/01/64/558360164.db2.gz CUJKGALRXMKWJQ-UHFFFAOYSA-N 0 3 415.515 2.596 40 0 HFABHN CC[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(C2CCCCC2)CC1 ZINC000022929620 558523724 /nfs/dbraw/zinc/52/37/24/558523724.db2.gz QPSCWHAWZBKHLO-LJQANCHMSA-N 0 3 412.538 2.852 40 0 HFABHN C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(=O)[nH]c(N3CCC(C)CC3)nc2C1 ZINC000072335639 558936993 /nfs/dbraw/zinc/93/69/93/558936993.db2.gz GANMBCCQHXABJQ-KRWDZBQOSA-N 0 3 424.545 2.972 40 0 HFABHN CN1CCC(CNS(=O)(=O)c2ccc3c(c2)[C@H](NC(=O)C2CCCC2)CC3)CC1 ZINC000072345811 558942287 /nfs/dbraw/zinc/94/22/87/558942287.db2.gz HMSWTFKWFUZSHR-OAQYLSRUSA-N 0 3 419.591 2.600 40 0 HFABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)c1ccc(COC)cc1)C2 ZINC000072372415 558959919 /nfs/dbraw/zinc/95/99/19/558959919.db2.gz DCSQWHCFTHQYGP-UHFFFAOYSA-N 0 3 409.534 2.672 40 0 HFABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)c1ccc3c(c1)C[C@H](C)O3)C2 ZINC000019710906 558973123 /nfs/dbraw/zinc/97/31/23/558973123.db2.gz RXRMXEWBXDEQLJ-HNNXBMFYSA-N 0 3 421.545 2.849 40 0 HFABHN C/C=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C ZINC000072394977 558973796 /nfs/dbraw/zinc/97/37/96/558973796.db2.gz KJUIWUVGRYUJJQ-AZXQUKHTSA-N 0 3 421.541 2.641 40 0 HFABHN C[N@H+](C[C@H]1CC2(CO1)CCN(C(=O)c1ccc([O-])cc1)CC2)[C@H]1CC[C@H](O)CC1 ZINC000585104464 559026998 /nfs/dbraw/zinc/02/69/98/559026998.db2.gz OXKVZPOPKVHKKE-HMXCVIKNSA-N 0 3 402.535 2.639 40 0 HFABHN C[N@@H+](C[C@H]1CC2(CO1)CCN(C(=O)c1ccc([O-])cc1)CC2)[C@H]1CC[C@H](O)CC1 ZINC000585104464 559026999 /nfs/dbraw/zinc/02/69/99/559026999.db2.gz OXKVZPOPKVHKKE-HMXCVIKNSA-N 0 3 402.535 2.639 40 0 HFABHN CCCN1CCN(C(=O)CNC)C[C@H](Cc2cccc(-c3ccccc3F)c2)C1=O ZINC000585183617 559070468 /nfs/dbraw/zinc/07/04/68/559070468.db2.gz OEICWIZOLMTRRE-FQEVSTJZSA-N 0 3 411.521 2.952 40 0 HFABHN CCN1CC[C@@]2(CN(Cc3cccnc3)CC23CCN(C(=O)c2ccco2)CC3)C1=O ZINC000096036477 559090358 /nfs/dbraw/zinc/09/03/58/559090358.db2.gz GVSKOPJUMOZWPO-XMMPIXPASA-N 0 3 422.529 2.651 40 0 HFABHN COc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)NCC(C)C)Cn2ccnc23)cc1 ZINC000096036778 559090667 /nfs/dbraw/zinc/09/06/67/559090667.db2.gz CFJISCLQHTYFNY-HXUWFJFHSA-N 0 3 412.534 2.554 40 0 HFABHN COc1ccc(CN2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)cc1 ZINC000096050109 559092134 /nfs/dbraw/zinc/09/21/34/559092134.db2.gz MFIBCJFILMCVNO-UHFFFAOYSA-N 0 3 414.575 2.769 40 0 HFABHN O=S1(=O)c2ccccc2O[C@H]2CCN(CC3CC3)CC[C@@H]2N1Cc1cccnc1 ZINC000096145879 559097618 /nfs/dbraw/zinc/09/76/18/559097618.db2.gz JTJMYULVDJPMOB-PMACEKPBSA-N 0 3 413.543 2.908 40 0 HFABHN CC(=O)N1CCN(CC2(O)CCCCCC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585284574 559121190 /nfs/dbraw/zinc/12/11/90/559121190.db2.gz YJJSXVJQCCKBTE-XMMPIXPASA-N 0 3 418.578 2.663 40 0 HFABHN COc1cccc(-c2nc3c4c(ncn3n2)Oc2n[nH]c(C)c2C4c2cnn(C)c2)c1 ZINC000017089803 559122742 /nfs/dbraw/zinc/12/27/42/559122742.db2.gz SNVICJHYTSSCPR-INIZCTEOSA-N 0 3 414.429 2.851 40 0 HFABHN Cc1ccc(CN2CCC3(CN(c4ncccn4)C[C@@]34CCN(C)C4=O)CC2)s1 ZINC000097952861 559124901 /nfs/dbraw/zinc/12/49/01/559124901.db2.gz UWGRILVZRHWDLI-JOCHJYFZSA-N 0 3 411.575 2.797 40 0 HFABHN C[C@@]1(CO)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C3CCCCC3)CCN21 ZINC000514290049 560030900 /nfs/dbraw/zinc/03/09/00/560030900.db2.gz RZVDECDYZFTYEU-UNMCSNQZSA-N 0 3 405.970 2.866 40 0 biogenic,in-vitro HFABHN CCOCCCNC(=S)N(CCN(C)C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000004160784 560601589 /nfs/dbraw/zinc/60/15/89/560601589.db2.gz XCZOLNXBFVUSNY-UHFFFAOYSA-N 0 3 418.607 2.810 40 0 HFABHN CC(C)(C)c1nccc(C[C@H]2[C@H](NCc3ccc(F)c(F)c3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382187 568489418 /nfs/dbraw/zinc/48/94/18/568489418.db2.gz JMLWQPYHUFXZIA-XNFNUYLZSA-N 0 3 405.489 2.743 40 0 biogenic,in-vitro HFABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccc(Cl)cc2)[C@@H]1Cc1ccnc(-c2cccnc2)n1 ZINC000604382165 568489438 /nfs/dbraw/zinc/48/94/38/568489438.db2.gz IKVZJSNCJSWPBO-GXRSIYKFSA-N 0 3 424.932 2.882 40 0 biogenic,in-vitro HFABHN Cc1ccc(C)c(N(Cc2ccc(C(=O)NCCN(C)C)cc2)S(C)(=O)=O)c1 ZINC000225123306 568615743 /nfs/dbraw/zinc/61/57/43/568615743.db2.gz QRWKGRALLWZCJU-UHFFFAOYSA-N 0 3 403.548 2.561 40 0 HFABHN CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000225902044 568684720 /nfs/dbraw/zinc/68/47/20/568684720.db2.gz PPDMUIONHXMNCI-SFHVURJKSA-N 0 3 401.532 2.754 40 0 HFABHN CN1CCN(c2ncc3c(n2)[C@@]2(CCN(Cc4ccccc4Cl)C2)COC3)CC1 ZINC000248093861 568747504 /nfs/dbraw/zinc/74/75/04/568747504.db2.gz CRMCGUZDAVJEPA-JOCHJYFZSA-N 0 3 413.953 2.556 40 0 HFABHN Cc1nccn1[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(OCCN3CCCC3)cc2)[C@H]1O ZINC000257240095 568787493 /nfs/dbraw/zinc/78/74/93/568787493.db2.gz HSAKTHPSXNBKOD-YPAWHYETSA-N 0 3 412.534 2.503 40 0 HFABHN O=C(c1cc(C(F)(F)F)n[n-]1)N1CCC[C@@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257244223 568788727 /nfs/dbraw/zinc/78/87/27/568788727.db2.gz IKKVLISNIMBERB-HNNXBMFYSA-N 0 3 410.387 2.517 40 0 HFABHN CN(CC(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@H](CC(N)=O)C1)C1CCCC1 ZINC000257253967 568791376 /nfs/dbraw/zinc/79/13/76/568791376.db2.gz KBASFSVDXVJTSK-KXBFYZLASA-N 0 3 407.942 2.686 40 0 HFABHN Cc1cc(Nc2cc(C[C@@H]3CCCN(C(=O)C4CCN(C)CC4)C3)nc(C)n2)n[nH]1 ZINC000257333565 568814082 /nfs/dbraw/zinc/81/40/82/568814082.db2.gz YCCSFRDPZOUMMN-KRWDZBQOSA-N 0 3 411.554 2.683 40 0 HFABHN CCN(Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000257335163 568814689 /nfs/dbraw/zinc/81/46/89/568814689.db2.gz YIXYPEBIDRAMGL-HSZRJFAPSA-N 0 3 407.518 2.837 40 0 HFABHN COc1ccc(-c2nnc3n2C2(CCN(Cc4ccccn4)CC2)CN(C)C3)cc1 ZINC000306128633 568891403 /nfs/dbraw/zinc/89/14/03/568891403.db2.gz HGNZWFLVEPKSQT-UHFFFAOYSA-N 0 3 404.518 2.785 40 0 HFABHN CC[C@@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3cccc(F)c3)CC1)COC2 ZINC000306132473 568894674 /nfs/dbraw/zinc/89/46/74/568894674.db2.gz LKIOJLIIQBOWSD-MRXNPFEDSA-N 0 3 415.513 2.758 40 0 HFABHN Cc1cccc(CN2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@H]3C2)n1 ZINC000306136810 568898701 /nfs/dbraw/zinc/89/87/01/568898701.db2.gz QDYQFGBNTAUZCX-JKSUJKDBSA-N 0 3 406.465 2.677 40 0 HFABHN O=C(NC1CCCCC1)c1nnc2n1CC1(CCN(Cc3ccoc3)CC1)COC2 ZINC000306137181 568899147 /nfs/dbraw/zinc/89/91/47/568899147.db2.gz QNXJKNWBCJBOSU-UHFFFAOYSA-N 0 3 413.522 2.746 40 0 HFABHN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4ccccc4F)C[C@@H]2C3)cc1 ZINC000306137693 568899608 /nfs/dbraw/zinc/89/96/08/568899608.db2.gz RDEALECEEPJTER-DLBZAZTESA-N 0 3 421.476 2.982 40 0 HFABHN COC[C@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218181187 568927289 /nfs/dbraw/zinc/92/72/89/568927289.db2.gz XBFJYMNVCOJWGZ-CEXWTWQISA-N 0 3 409.891 2.600 40 0 HFABHN COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCCN(Cc3cnn(C)c3C)C1)O2 ZINC000012235387 569344788 /nfs/dbraw/zinc/34/47/88/569344788.db2.gz GKCXMOHFFZFBDD-WZONZLPQSA-N 0 3 412.534 2.759 40 0 HFABHN COc1ccc(CN2CC[C@@H](c3cc(C(=O)N(C)C)[nH]n3)C2)cc1Cn1ccnc1C ZINC000019707699 569347969 /nfs/dbraw/zinc/34/79/69/569347969.db2.gz UAJLJMPKTXNQHF-GOSISDBHSA-N 0 3 422.533 2.663 40 0 HFABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000252514724 569387957 /nfs/dbraw/zinc/38/79/57/569387957.db2.gz CYPPSCAOSORZEQ-WAOWUJCRSA-N 0 3 402.516 2.849 40 0 HFABHN Nc1cccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)Nc3ccccc3)nn2)c1 ZINC000008254282 571038119 /nfs/dbraw/zinc/03/81/19/571038119.db2.gz LSYVPABZQHGDMF-DQLDELGASA-N 0 3 402.502 2.876 40 0 biogenic,in-vitro HFABHN Cc1nc([N-]c2nccnc2[C@@H]2CCCN(C(=O)/C=C/C[NH+](C)C)C2)sc1C ZINC000585293104 571309888 /nfs/dbraw/zinc/30/98/88/571309888.db2.gz WWZHSOTZIOQMCO-IQIBNGDESA-N 0 3 400.552 3.117 40 0 HFABHN CC(C)CN1CCC(O)(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC1 ZINC000225477104 291217181 /nfs/dbraw/zinc/21/71/81/291217181.db2.gz RFZXXUBXKCRDGW-UHFFFAOYSA-N 0 3 415.607 2.800 40 0 biogenic,in-vitro HFABHN COc1ccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NCc3ccccc3)n2)cc1 ZINC000006137857 291224266 /nfs/dbraw/zinc/22/42/66/291224266.db2.gz UYWGFWZEUKSXQR-MYDTUXCISA-N 0 3 418.497 2.889 40 0 biogenic,in-vitro HFABHN Cc1csc(NC(=O)[C@@H]2CCC[C@@H](NCc3cccnc3)CN(C)C(=O)C2)n1 ZINC000096113463 291227158 /nfs/dbraw/zinc/22/71/58/291227158.db2.gz WFWFLDHGHCCHEC-IAGOWNOFSA-N 0 3 401.536 2.592 40 0 biogenic,in-vitro HFABHN c1cncc(CN2CCC(c3nc(N4CCOCC4)ncc3-c3cnccn3)CC2)c1 ZINC000012088791 132353803 /nfs/dbraw/zinc/35/38/03/132353803.db2.gz BKTRBKQCABKWFQ-UHFFFAOYSA-N 0 3 417.517 2.545 40 0 HFABHN CS(=O)(=O)N1CCCc2cc([C@@H](O)CN3CCC(c4ccncc4)CC3)ccc21 ZINC000012291475 132357987 /nfs/dbraw/zinc/35/79/87/132357987.db2.gz UAKAUIYEYVGLEP-QFIPXVFZSA-N 0 3 415.559 2.707 40 0 HFABHN CS(=O)(=O)N1CCCc2cc([C@@H](O)CN3CCC(C(F)(F)F)CC3)ccc21 ZINC000012291496 132357991 /nfs/dbraw/zinc/35/79/91/132357991.db2.gz MVPFATLUHKOQGH-KRWDZBQOSA-N 0 3 406.470 2.707 40 0 HFABHN Cc1cc(S(=O)(=O)NCCCN2C[C@H](C)C[C@H](C)C2)ccc1N1CCCC1=O ZINC000019931379 558310326 /nfs/dbraw/zinc/31/03/26/558310326.db2.gz VZWZRFNDKCLOAM-CALCHBBNSA-N 0 3 407.580 2.768 40 0 HFABHN COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCCN(Cc3cnn(C)c3C)C1)O2 ZINC000012235401 558358508 /nfs/dbraw/zinc/35/85/08/558358508.db2.gz GKCXMOHFFZFBDD-MBSDFSHPSA-N 0 3 412.534 2.759 40 0 HFABHN C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)C1 ZINC000020481525 558375266 /nfs/dbraw/zinc/37/52/66/558375266.db2.gz BMNUAUGFGWLMEO-KBPBESRZSA-N 0 3 401.960 2.809 40 0 HFABHN Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N[C@@H](C)C(C)C)CC1(CCN(C)CC1)O2 ZINC000019218402 558851114 /nfs/dbraw/zinc/85/11/14/558851114.db2.gz ZFRJTJCYEMQAQT-ROUUACIJSA-N 0 3 401.551 2.843 40 0 HFABHN COc1cc(CN2CCC[C@@H](Cn3nnc(-c4cccnc4)n3)C2)cc(OC)c1OC ZINC000019549801 558914574 /nfs/dbraw/zinc/91/45/74/558914574.db2.gz VTGZGNKDAVNNGY-MRXNPFEDSA-N 0 3 424.505 2.673 40 0 HFABHN CC(C)NC(=O)[C@@H]1CN([C@@H](C)Cc2ccc(F)cc2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000072334461 558935643 /nfs/dbraw/zinc/93/56/43/558935643.db2.gz ASYNREOZJHEJKQ-QOKIKDITSA-N 0 3 423.532 2.938 40 0 HFABHN Cc1oc2c(c1C(=O)N1CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C1)CCCC2 ZINC000019581219 558936864 /nfs/dbraw/zinc/93/68/64/558936864.db2.gz SHLLAJPWKTVSSW-HNNXBMFYSA-N 0 3 410.518 2.970 40 0 HFABHN Cc1oc2c(c1C(=O)N1CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C1)CCCC2 ZINC000019581219 558936865 /nfs/dbraw/zinc/93/68/65/558936865.db2.gz SHLLAJPWKTVSSW-HNNXBMFYSA-N 0 3 410.518 2.970 40 0 HFABHN Cc1cncc(CN2C[C@@H](C(=O)N3CCCC(F)(F)CC3)C3(C2)CCOCC3)n1 ZINC000585101841 559024894 /nfs/dbraw/zinc/02/48/94/559024894.db2.gz GJNYVLHDCIKROO-SFHVURJKSA-N 0 3 408.493 2.661 40 0 HFABHN O=C(NCC1CC1)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1cccs1)CCC2 ZINC000096056140 559093904 /nfs/dbraw/zinc/09/39/04/559093904.db2.gz DOUWQYWWDFIFML-AVRDEDQJSA-N 0 3 411.575 2.783 40 0 HFABHN O=C(Nc1cccnc1)[C@H]1Cn2ccnc2C2(CCN(Cc3ccccc3)CC2)O1 ZINC000096144683 559096755 /nfs/dbraw/zinc/09/67/55/559096755.db2.gz FNFBKVYSYRIWRZ-HXUWFJFHSA-N 0 3 403.486 2.807 40 0 HFABHN O=C(CN1C[C@H](c2ccc(F)cc2)[C@H]2COCC[C@H]21)NCCc1nc2ccccc2[nH]1 ZINC000585261490 559109028 /nfs/dbraw/zinc/10/90/28/559109028.db2.gz VDHPUZRNEZRCDA-WOIUINJBSA-N 0 3 422.504 2.865 40 0 HFABHN O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CN2CCC(C(F)(F)F)CC2)[C@@H](O)C1 ZINC000585283659 559120761 /nfs/dbraw/zinc/12/07/61/559120761.db2.gz GNTIIJBHDVBDIL-WMZOPIPTSA-N 0 3 420.859 2.552 40 0 HFABHN CCOc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)N[C@@H](C)CC)cc2c1 ZINC000004161969 560602056 /nfs/dbraw/zinc/60/20/56/560602056.db2.gz HKAGQWOZWJUQDX-HNNXBMFYSA-N 0 3 404.580 2.963 40 0 HFABHN Cc1ccc(N(Cc2ccc(C(=O)NCCN(C)C)cc2)S(C)(=O)=O)cc1C ZINC000010111598 560763775 /nfs/dbraw/zinc/76/37/75/560763775.db2.gz QNIBMKRPCKZVCG-UHFFFAOYSA-N 0 3 403.548 2.561 40 0 HFABHN Cc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C3CCCC3)CC2)cc1 ZINC000020140741 560881382 /nfs/dbraw/zinc/88/13/82/560881382.db2.gz OHQUQEPLOXLIAC-YADHBBJMSA-N 0 3 410.566 2.810 40 0 HFABHN COc1cc(CNCCc2ccccc2F)cc(Br)c1OCC(N)=O ZINC000022074516 568473992 /nfs/dbraw/zinc/47/39/92/568473992.db2.gz XREJVCUZPIGAPO-UHFFFAOYSA-N 0 3 411.271 2.793 40 0 HFABHN CN(c1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1)S(C)(=O)=O ZINC000224820121 568598454 /nfs/dbraw/zinc/59/84/54/568598454.db2.gz ZGDKANFNRYDMMC-UHFFFAOYSA-N 0 3 415.559 2.998 40 0 HFABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Br)cc3)[C@]2(CN)CO)cc1 ZINC000242495423 568738055 /nfs/dbraw/zinc/73/80/55/568738055.db2.gz GFDFATLUFGQKDN-KSZLIROESA-N 0 3 410.333 2.635 40 0 HFABHN CN1CCN(c2ncc3c(n2)[C@]2(CCN(Cc4ccccc4Cl)C2)COC3)CC1 ZINC000248093865 568747499 /nfs/dbraw/zinc/74/74/99/568747499.db2.gz CRMCGUZDAVJEPA-QFIPXVFZSA-N 0 3 413.953 2.556 40 0 HFABHN O=C(N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O)c1ccc(OCCN2CCCCC2)cc1 ZINC000257201604 568776497 /nfs/dbraw/zinc/77/64/97/568776497.db2.gz AIHMQFZDSSRIIX-YPAWHYETSA-N 0 3 412.534 2.632 40 0 HFABHN CCOc1cc(C(=O)N2CCC[C@@](O)(CN3CCC(F)(F)CC3)CC2)ccc1O ZINC000257207356 568778241 /nfs/dbraw/zinc/77/82/41/568778241.db2.gz BHJXCOHUEGXDHE-FQEVSTJZSA-N 0 3 412.477 2.879 40 0 HFABHN Nc1nc2c(c(N)n1)C[C@]1(CCCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC1)O2 ZINC000257255277 568791703 /nfs/dbraw/zinc/79/17/03/568791703.db2.gz KGWCMEGBUYDLFV-OAQYLSRUSA-N 0 3 409.469 2.530 40 0 HFABHN NC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)c2ccccc2CN2CCCCC2)C1 ZINC000257273592 568796545 /nfs/dbraw/zinc/79/65/45/568796545.db2.gz NHIBODAUNBWAFJ-DEOSSOPVSA-N 0 3 406.530 2.727 40 0 HFABHN CNc1cc(CN(C)C(=O)CCN(C)c2ccc(F)cc2)nc([C@H]2CCCN2)n1 ZINC000019759872 568870682 /nfs/dbraw/zinc/87/06/82/568870682.db2.gz MKFJGPPVVVQFKI-GOSISDBHSA-N 0 3 400.502 2.567 40 0 HFABHN O=C(NCC1CC1)[C@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccc(F)cc1)CCC2 ZINC000306125843 568888585 /nfs/dbraw/zinc/88/85/85/568888585.db2.gz DDQASADPCXHWGX-GBXCKJPGSA-N 0 3 423.536 2.861 40 0 HFABHN CN1C[C@@H](C(=O)NCc2cccs2)OC2(CCN(Cc3ccsc3)CC2)C1 ZINC000306127246 568890099 /nfs/dbraw/zinc/89/00/99/568890099.db2.gz FTAANNXCOPCTMZ-SFHVURJKSA-N 0 3 405.589 2.791 40 0 HFABHN COc1ccccc1CN1C[C@@H]2Cn3c(nnc3C(=O)Nc3ccccc3)C[C@@H]2C1 ZINC000306128551 568891388 /nfs/dbraw/zinc/89/13/88/568891388.db2.gz HDUAANRXOSDPSF-QZTJIDSGSA-N 0 3 403.486 2.843 40 0 HFABHN CC[C@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3ccc(F)cc3)CC1)COC2 ZINC000306130186 568892514 /nfs/dbraw/zinc/89/25/14/568892514.db2.gz IYWLIFKMVFWKBT-INIZCTEOSA-N 0 3 415.513 2.758 40 0 HFABHN O=C1N(Cc2ccncc2)CCO[C@]12CN(Cc1cccs1)C[C@@H]2c1cccnc1 ZINC000306135899 568897657 /nfs/dbraw/zinc/89/76/57/568897657.db2.gz PEBRGZHAEDBTTO-GGAORHGYSA-N 0 3 420.538 2.935 40 0 HFABHN Cc1ccc(CN2C[C@@H]3c4nc(=O)c(C(=O)NC5CCCCC5)cn4C[C@@H]3C2)s1 ZINC000306139697 568901717 /nfs/dbraw/zinc/90/17/17/568901717.db2.gz TXWHKQJVHSEQFR-YJBOKZPZSA-N 0 3 412.559 2.905 40 0 HFABHN O=S(=O)(c1cccc(F)c1)N1CCO[C@]2(CCCC[C@@H]2NCc2cccnc2)C1 ZINC000306143477 568904846 /nfs/dbraw/zinc/90/48/46/568904846.db2.gz YDCVOTFNQCKWLQ-LEWJYISDSA-N 0 3 419.522 2.713 40 0 HFABHN CC(C)(C)CNC(=O)c1[nH]nc2c1COC[C@@]21CCN(Cc2ccc(F)cc2)C1 ZINC000306143942 568905166 /nfs/dbraw/zinc/90/51/66/568905166.db2.gz YRISHPHMVOMOGJ-QFIPXVFZSA-N 0 3 400.498 2.999 40 0 HFABHN CN(C)CCNc1nc(NCc2ccc(Br)cc2)cc(C(F)(F)F)n1 ZINC000328974932 568970842 /nfs/dbraw/zinc/97/08/42/568970842.db2.gz FICIPHLNILAYTK-UHFFFAOYSA-N 0 3 418.261 2.687 40 0 HFABHN O=C(Nc1ccc(OCCN2CCCCC2)cc1)[C@H]1CC[C@H](Cn2cnnn2)CC1 ZINC000524734866 569291770 /nfs/dbraw/zinc/29/17/70/569291770.db2.gz SASZEINZYRVCFT-WGSAOQKQSA-N 0 3 412.538 2.983 40 0 HFABHN C[N@@H+](Cc1ccccc1)C[C@H]1CN2CC[C@H]1C[C@@H]2C[N-]S(=O)(=O)c1cccs1 ZINC000067870694 291220291 /nfs/dbraw/zinc/22/02/91/291220291.db2.gz XNLVRPHXNSZDSD-SLFFLAALSA-N 0 3 419.616 2.869 40 0 biogenic,in-vitro HFABHN C[N@H+](Cc1ccccc1)C[C@H]1CN2CC[C@H]1C[C@@H]2C[N-]S(=O)(=O)c1cccs1 ZINC000067870694 291220294 /nfs/dbraw/zinc/22/02/94/291220294.db2.gz XNLVRPHXNSZDSD-SLFFLAALSA-N 0 3 419.616 2.869 40 0 biogenic,in-vitro HFABHN COCCN1CCN(C(=O)[C@@H]2Cc3cn(C)c4cccc(c34)[C@H](CC(C)C)N2)CC1 ZINC000049171519 291221968 /nfs/dbraw/zinc/22/19/68/291221968.db2.gz LFTIXJNMPRZMCI-SFTDATJTSA-N 0 3 412.578 2.570 40 0 biogenic,in-vitro HFABHN C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)C1 ZINC000044846241 525210503 /nfs/dbraw/zinc/21/05/03/525210503.db2.gz QEWJJMOPOPYCDC-ZIAGYGMSSA-N 0 3 401.960 2.809 40 0 HFABHN C[C@H]1C[C@H](C)CN(CC(=O)N2CCC(c3cc(=O)n4c(n3)CCCCC4)CC2)C1 ZINC000012235898 558358829 /nfs/dbraw/zinc/35/88/29/558358829.db2.gz WXEGXCOVYOMXLN-ROUUACIJSA-N 0 3 400.567 2.654 40 0 HFABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(O)ccc2O3)cc1OC ZINC000012329694 558384574 /nfs/dbraw/zinc/38/45/74/558384574.db2.gz AUFMEMBJPLRYFX-RBUKOAKNSA-N 0 3 415.486 2.794 40 0 HFABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(OCC)cc1 ZINC000020636803 558396142 /nfs/dbraw/zinc/39/61/42/558396142.db2.gz XFWNWTMHNMWJBT-RTWAWAEBSA-N 0 3 421.497 2.850 40 0 HFABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@@H]1c1cccc(C)c1 ZINC000020801405 558415303 /nfs/dbraw/zinc/41/53/03/558415303.db2.gz OHRMUNGSBUFMIO-LEWJYISDSA-N 0 3 420.513 2.523 40 0 HFABHN COc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2NC(=O)c2ccn[nH]2)cc1OC ZINC000036743730 558802460 /nfs/dbraw/zinc/80/24/60/558802460.db2.gz IALMOKWDCFFHBZ-QUCCMNQESA-N 0 3 406.486 2.825 40 0 HFABHN Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@H]1CCCC[C@H]1C)CC1(CCN(C)CC1)O2 ZINC000019218562 558851177 /nfs/dbraw/zinc/85/11/77/558851177.db2.gz CGFCRNWESZICNR-QUCCMNQESA-N 0 3 413.562 2.989 40 0 HFABHN Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@H]1CCCC[C@H]1C)CC1(CCN(C)CC1)O2 ZINC000019218567 558851187 /nfs/dbraw/zinc/85/11/87/558851187.db2.gz CGFCRNWESZICNR-UYAOXDASSA-N 0 3 413.562 2.989 40 0 HFABHN CCN1CCN(C2CCN(C(=O)c3c(C)n(CCOC)c4ccccc43)CC2)CC1 ZINC000019528133 558909239 /nfs/dbraw/zinc/90/92/39/558909239.db2.gz ARVHOHUEIRSOJV-UHFFFAOYSA-N 0 3 412.578 2.838 40 0 HFABHN CCOCc1cc(C[N@@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)ccc1OC ZINC000019531184 558911616 /nfs/dbraw/zinc/91/16/16/558911616.db2.gz NCAISEVZYVOQSQ-UHFFFAOYSA-N 0 3 412.534 2.516 40 0 HFABHN CCOCc1cc(C[N@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)ccc1OC ZINC000019531184 558911617 /nfs/dbraw/zinc/91/16/17/558911617.db2.gz NCAISEVZYVOQSQ-UHFFFAOYSA-N 0 3 412.534 2.516 40 0 HFABHN Cc1cc(C)n(Cc2c(C)onc2C(=O)N(Cc2cccnc2)C2CCN(C)CC2)n1 ZINC000019574307 558931989 /nfs/dbraw/zinc/93/19/89/558931989.db2.gz FDGKOMZHSGZMOI-UHFFFAOYSA-N 0 3 422.533 2.976 40 0 HFABHN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3CCN(C)CC3)c2)cc1 ZINC000060859451 558943800 /nfs/dbraw/zinc/94/38/00/558943800.db2.gz AMLOVQHGVGRXGG-UHFFFAOYSA-N 0 3 401.532 2.644 40 0 HFABHN O=C([C@H](c1ccccc1)N1CCCC1)N1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000072347638 558944694 /nfs/dbraw/zinc/94/46/94/558944694.db2.gz DXWIJERXYGPLQH-NRFANRHFSA-N 0 3 405.498 2.965 40 0 HFABHN COc1cc(Cl)c(CN2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)cc1OC ZINC000019594937 558945905 /nfs/dbraw/zinc/94/59/05/558945905.db2.gz HGZCUTZKBOTEPD-UHFFFAOYSA-N 0 3 418.925 2.642 40 0 HFABHN Cc1cc(C)nc(Nc2ccc([C@@H]3CCCN(CCC(=O)N4CCOCC4)C3)nc2)n1 ZINC000072353280 558950243 /nfs/dbraw/zinc/95/02/43/558950243.db2.gz RYQAGXFYDAYBOA-LJQANCHMSA-N 0 3 424.549 2.660 40 0 HFABHN CC(C)(C)NC(=O)CNC(=O)c1ccc([C@@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000019706072 558968724 /nfs/dbraw/zinc/96/87/24/558968724.db2.gz OHFNYVPVTSOPAY-GOSISDBHSA-N 0 3 409.534 2.501 40 0 HFABHN COc1cc(CN2CCC[C@@H](c3nnc(-c4cnccn4)o3)C2)cc(OC)c1OC ZINC000072390056 558970460 /nfs/dbraw/zinc/97/04/60/558970460.db2.gz XYJTYJVZCMAXJG-OAHLLOKOSA-N 0 3 411.462 2.932 40 0 HFABHN Cc1ccc(C(=O)N2CCC3(CO[C@H](CN4CC[C@@H](C)[C@H](O)C4)C3)CC2)cc1F ZINC000585104185 559025881 /nfs/dbraw/zinc/02/58/81/559025881.db2.gz MJCASPNYPAQUGJ-SLYNCCJLSA-N 0 3 404.526 2.848 40 0 HFABHN C[N@H+](C[C@@H]1CC2(CO1)CCN(C(=O)c1ccc([O-])cc1)CC2)[C@H]1CC[C@H](O)CC1 ZINC000585104465 559027022 /nfs/dbraw/zinc/02/70/22/559027022.db2.gz OXKVZPOPKVHKKE-JBACZVJFSA-N 0 3 402.535 2.639 40 0 HFABHN C[N@@H+](C[C@@H]1CC2(CO1)CCN(C(=O)c1ccc([O-])cc1)CC2)[C@H]1CC[C@H](O)CC1 ZINC000585104465 559027023 /nfs/dbraw/zinc/02/70/23/559027023.db2.gz OXKVZPOPKVHKKE-JBACZVJFSA-N 0 3 402.535 2.639 40 0 HFABHN CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(Cc2cccs2)CC3)C1=O ZINC000096036566 559090433 /nfs/dbraw/zinc/09/04/33/559090433.db2.gz ZVYHVCUEMLGDED-NRFANRHFSA-N 0 3 404.580 2.566 40 0 HFABHN CN(C)[C@H]1CCN(C(=O)c2cc(-c3cnc(N4CCCC4)nc3)cn2CC2CC2)C1 ZINC000096147687 559098665 /nfs/dbraw/zinc/09/86/65/559098665.db2.gz GWPLMDKENZFCGB-FQEVSTJZSA-N 0 3 408.550 2.731 40 0 HFABHN O=C(NCc1cccnc1)[C@H]1Cn2ccnc2C2(CCN(Cc3ccsc3)CC2)O1 ZINC000096243822 559104903 /nfs/dbraw/zinc/10/49/03/559104903.db2.gz WTFWLZIMNGPQNC-LJQANCHMSA-N 0 3 423.542 2.546 40 0 HFABHN CC(=O)N[C@]12CN(Cc3ccc(O)cc3)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000585261352 559108839 /nfs/dbraw/zinc/10/88/39/559108839.db2.gz XHTFGTGJJUEHLM-WXFUMESZSA-N 0 3 407.514 2.692 40 0 HFABHN COc1ccc(CN(C)C[C@]2(O)CCN(Cc3ccc(OCCCO)cc3)C2)cc1 ZINC000585269642 559115841 /nfs/dbraw/zinc/11/58/41/559115841.db2.gz FOVOWTROKBMMFR-XMMPIXPASA-N 0 3 414.546 2.525 40 0 HFABHN Cc1cccc(CNC[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)c1C ZINC000585285586 559121545 /nfs/dbraw/zinc/12/15/45/559121545.db2.gz QTDCBCUPFGUFRP-UNMCSNQZSA-N 0 3 402.922 2.685 40 0 HFABHN O=C(c1ccc(Cl)cc1)N1CC[C@@H](O)[C@](O)(CNCc2ccc(Cl)cc2)C1 ZINC000585286816 559122013 /nfs/dbraw/zinc/12/20/13/559122013.db2.gz VMRAOCRENPQETR-QUCCMNQESA-N 0 3 409.313 2.721 40 0 HFABHN Cc1ccc2cc(CN(CCN(C)C)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1C ZINC000004133493 560600470 /nfs/dbraw/zinc/60/04/70/560600470.db2.gz RKSBCKJHWDGMTR-LJQANCHMSA-N 0 3 416.591 2.562 40 0 HFABHN CCOc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCC(C)C)cc2c1 ZINC000004133611 560600663 /nfs/dbraw/zinc/60/06/63/560600663.db2.gz IETVVPBZNOQCPX-UHFFFAOYSA-N 0 3 404.580 2.821 40 0 HFABHN COc1ccc(NC(=O)NC2(C(=O)N3CCN4CCC[C@@H]4C3)CCCCC2)cc1 ZINC000004982004 560623048 /nfs/dbraw/zinc/62/30/48/560623048.db2.gz RLRWWQUCRQGFIR-GOSISDBHSA-N 0 3 400.523 2.826 40 0 HFABHN Cc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C3CCCC3)CC2)cc1 ZINC000020140732 560881433 /nfs/dbraw/zinc/88/14/33/560881433.db2.gz OHQUQEPLOXLIAC-FCHUYYIVSA-N 0 3 410.566 2.810 40 0 HFABHN CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C ZINC000057773608 568497661 /nfs/dbraw/zinc/49/76/61/568497661.db2.gz PHWFXJBBPYKLBM-YADHBBJMSA-N 0 3 423.557 2.865 40 0 HFABHN CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C ZINC000057773604 568497674 /nfs/dbraw/zinc/49/76/74/568497674.db2.gz PHWFXJBBPYKLBM-FCHUYYIVSA-N 0 3 423.557 2.865 40 0 HFABHN COC[C@H](C)NC(=O)CN1CCC(c2cc(Nc3ccc(F)cn3)cc(C)n2)CC1 ZINC000257213063 568780034 /nfs/dbraw/zinc/78/00/34/568780034.db2.gz CGBDCSXWZUTLDU-INIZCTEOSA-N 0 3 415.513 2.998 40 0 HFABHN CCN(Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)CC2(O)CCCCC2)CC1 ZINC000257221771 568782567 /nfs/dbraw/zinc/78/25/67/568782567.db2.gz DQLGNLGLMRZYPB-HSZRJFAPSA-N 0 3 403.567 2.732 40 0 HFABHN C[N@@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cc(=O)[n-]c(=O)[nH]1 ZINC000257223398 568782998 /nfs/dbraw/zinc/78/29/98/568782998.db2.gz DXECONHSNYFTOJ-BORCDFBASA-N 0 3 422.529 2.977 40 0 HFABHN C[N@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cc(=O)[n-]c(=O)[nH]1 ZINC000257223398 568782999 /nfs/dbraw/zinc/78/29/99/568782999.db2.gz DXECONHSNYFTOJ-BORCDFBASA-N 0 3 422.529 2.977 40 0 HFABHN O=C(c1c[nH]nc1[C@@H]1CCCN(Cc2ccnc3ccccc23)C1)N1CCOCC1 ZINC000257286822 568800706 /nfs/dbraw/zinc/80/07/06/568800706.db2.gz PNEWNRPQTDHETD-GOSISDBHSA-N 0 3 405.502 2.810 40 0 HFABHN CCN(Cc1ccncc1)C[C@]1(O)CCCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000257298558 568804049 /nfs/dbraw/zinc/80/40/49/568804049.db2.gz RMGBXCYZLBOUIJ-QHCPKHFHSA-N 0 3 407.518 2.837 40 0 HFABHN COc1ccc(CN(C)C[C@]2(O)CCCN(C(=O)c3sc(N)nc3C)CC2)cc1 ZINC000257309669 568807382 /nfs/dbraw/zinc/80/73/82/568807382.db2.gz UBWZMVYNKNDZBT-NRFANRHFSA-N 0 3 418.563 2.532 40 0 HFABHN CNC(=O)[C@]1(c2ccccn2)CCCN1Cc1ccccc1OCCN1CCCC1 ZINC000257335180 568814676 /nfs/dbraw/zinc/81/46/76/568814676.db2.gz YIYSFIRHDUNAHF-XMMPIXPASA-N 0 3 408.546 2.794 40 0 HFABHN COC[C@@]1(CN)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218217236 568836368 /nfs/dbraw/zinc/83/63/68/568836368.db2.gz WHDXJJAXFNAVHT-BZSNNMDCSA-N 0 3 410.333 2.980 40 0 HFABHN O=C1CCCN1c1ncc2c(n1)[C@]1(CCN(Cc3ccc4ccccc4n3)C1)COC2 ZINC000306123651 568886736 /nfs/dbraw/zinc/88/67/36/568886736.db2.gz ATCNABHJHBTVST-DEOSSOPVSA-N 0 3 415.497 2.826 40 0 HFABHN Cc1cccc(CN2CCC3(CCc4nnc(C(=O)NCCC(C)C)n4C3)CC2)n1 ZINC000306124267 568887256 /nfs/dbraw/zinc/88/72/56/568887256.db2.gz BLEIMHGQBOXDSS-UHFFFAOYSA-N 0 3 410.566 2.986 40 0 HFABHN CN1C[C@H](C(=O)NCc2cccs2)OC2(CCN(Cc3ccccc3F)CC2)C1 ZINC000306124577 568887668 /nfs/dbraw/zinc/88/76/68/568887668.db2.gz BTVLIZHEENSBOG-HXUWFJFHSA-N 0 3 417.550 2.869 40 0 HFABHN CCOCC(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 ZINC000306125642 568888384 /nfs/dbraw/zinc/88/83/84/568888384.db2.gz CWSRERSMSMLZJT-UHFFFAOYSA-N 0 3 424.545 2.893 40 0 HFABHN O=C1N(Cc2ccncc2)CCO[C@@]12CN(Cc1ccsc1)C[C@@H]2c1cccnc1 ZINC000306127323 568889982 /nfs/dbraw/zinc/88/99/82/568889982.db2.gz FVSMCYSPJBBRCU-FYYLOGMGSA-N 0 3 420.538 2.935 40 0 HFABHN O=C(c1ccc2c(c1)OCO2)N1CCO[C@@]2(CCCC[C@H]2NCc2cccnc2)C1 ZINC000306129999 568892560 /nfs/dbraw/zinc/89/25/60/568892560.db2.gz ITRDMNMLAGMEKL-GGAORHGYSA-N 0 3 409.486 2.754 40 0 HFABHN O=C(NC1CCC1)c1nnc2n1CC1(CC2)CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000306133701 568895552 /nfs/dbraw/zinc/89/55/52/568895552.db2.gz MTBHQDJCSVVJSW-UHFFFAOYSA-N 0 3 423.517 2.518 40 0 HFABHN COCC(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 ZINC000306138156 568900211 /nfs/dbraw/zinc/90/02/11/568900211.db2.gz RRDMIGFWDRYMPU-UHFFFAOYSA-N 0 3 410.518 2.502 40 0 HFABHN Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Br)cc3)C2(CN)CN)cc1 ZINC000218227227 568928415 /nfs/dbraw/zinc/92/84/15/568928415.db2.gz ONIUQALVLXKTAU-SJORKVTESA-N 0 3 409.349 2.601 40 0 HFABHN COC[C@@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218181113 568927330 /nfs/dbraw/zinc/92/73/30/568927330.db2.gz XBFJYMNVCOJWGZ-QYZOEREBSA-N 0 3 409.891 2.600 40 0 HFABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218657598 568942728 /nfs/dbraw/zinc/94/27/28/568942728.db2.gz IDDWGOGVDCIUJZ-WFXMLNOXSA-N 0 3 420.506 2.988 40 0 HFABHN COc1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(C)C(=O)C1S(=O)(=O)c1ccc(C)cc1 ZINC000004315570 569323299 /nfs/dbraw/zinc/32/32/99/569323299.db2.gz ZTJMAPIREAQVAV-DSKINZAPSA-N 0 3 401.484 2.900 40 0 HFABHN CN1CCC(N2C[C@H](O)C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)CC1 ZINC000015674257 291220683 /nfs/dbraw/zinc/22/06/83/291220683.db2.gz JWJDBEQCTRSFDO-ZBFHGGJFSA-N 0 3 412.412 2.837 40 0 biogenic,in-vitro HFABHN CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3CN2CCOCC2)c1 ZINC000012601836 291226490 /nfs/dbraw/zinc/22/64/90/291226490.db2.gz POZQLLWBYIXIPJ-JENIJYKNSA-N 0 3 404.580 2.573 40 0 biogenic,in-vitro HFABHN CCCO[C@H]1CCCN(c2nc(C3CCN(C)CC3)nc3c2CN(C(C)=O)CC3)C1 ZINC000019710498 132469226 /nfs/dbraw/zinc/46/92/26/132469226.db2.gz KSLCRDDJGUAOOJ-IBGZPJMESA-N 0 3 415.582 2.586 40 0 HFABHN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCN1CCCCCC1 ZINC000408704230 557729679 /nfs/dbraw/zinc/72/96/79/557729679.db2.gz YUYVOHJOQGQGOC-UHFFFAOYSA-N 0 3 407.580 2.775 40 0 HFABHN Cc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2cccc(Cl)c2)cc1 ZINC000010111541 557855187 /nfs/dbraw/zinc/85/51/87/557855187.db2.gz FYCWPAUDBAMKFU-UHFFFAOYSA-N 0 3 409.939 2.522 40 0 HFABHN Cc1nc(C2CCN(C(=O)CN3CCCC3)CC2)nc2c1CCC(=O)N2CC(C)C ZINC000019739531 558260551 /nfs/dbraw/zinc/26/05/51/558260551.db2.gz HXGYPHZIHZZRAH-UHFFFAOYSA-N 0 3 413.566 2.522 40 0 HFABHN COc1ccc(-c2nccc3ccn(CC(=O)N[C@H]4CCCN(C)C4)c32)cc1OC ZINC000012135491 558333810 /nfs/dbraw/zinc/33/38/10/558333810.db2.gz APOYHLDWLXLUOH-SFHVURJKSA-N 0 3 408.502 2.931 40 0 HFABHN Cc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2cccc(Cl)c2C)cc1 ZINC000013671173 558562340 /nfs/dbraw/zinc/56/23/40/558562340.db2.gz DWBBOVVMNXLLBZ-UHFFFAOYSA-N 0 3 423.966 2.830 40 0 HFABHN CCCC(=O)N1CCc2nc([C@H]3CCC[N@H+](Cc4cccs4)C3)[n-]c(=O)c2C1 ZINC000019501599 558899645 /nfs/dbraw/zinc/89/96/45/558899645.db2.gz ONHVPKJFMWAWOF-HNNXBMFYSA-N 0 3 400.548 2.896 40 0 HFABHN CCCC(=O)N1CCc2nc([C@H]3CCC[N@@H+](Cc4cccs4)C3)[n-]c(=O)c2C1 ZINC000019501599 558899646 /nfs/dbraw/zinc/89/96/46/558899646.db2.gz ONHVPKJFMWAWOF-HNNXBMFYSA-N 0 3 400.548 2.896 40 0 HFABHN Cc1cccnc1Nc1ccc([C@H]2CCCN(CCC(=O)N3CCOCC3)C2)nc1 ZINC000072353279 558950112 /nfs/dbraw/zinc/95/01/12/558950112.db2.gz OMXKGMVUMZAVSP-IBGZPJMESA-N 0 3 409.534 2.957 40 0 HFABHN COc1cccc(-c2cccc(CN3CCC(C(N)=O)(N4CCOCC4)CC3)c2)c1 ZINC000019658576 558950482 /nfs/dbraw/zinc/95/04/82/558950482.db2.gz VBQFCJCFHODYAW-UHFFFAOYSA-N 0 3 409.530 2.514 40 0 HFABHN Cc1nonc1CN(C)C(=O)c1ccc([C@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000019706037 558968700 /nfs/dbraw/zinc/96/87/00/558968700.db2.gz JTBWUBLNOVWRCU-SFHVURJKSA-N 0 3 406.490 2.820 40 0 HFABHN Cc1cc(C[NH+]2CCC(c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)CC2)cs1 ZINC000072399005 558976688 /nfs/dbraw/zinc/97/66/88/558976688.db2.gz YLRYEUHZQQIPHG-UHFFFAOYSA-N 0 3 412.559 2.814 40 0 HFABHN Cc1nc(C)c(CN2CCC[C@@]3(CCC(=O)N3CC(=O)N3CCCC3)CC2)s1 ZINC000585100474 559023985 /nfs/dbraw/zinc/02/39/85/559023985.db2.gz LCFIVSIKOZRHJV-OAQYLSRUSA-N 0 3 404.580 2.729 40 0 HFABHN COc1ccc(CN2CCC3(CC2)c2ncc(-c4cnn(C)c4)n2CCN3C)cc1 ZINC000096036954 559090784 /nfs/dbraw/zinc/09/07/84/559090784.db2.gz LEBIJWGREMXUEW-UHFFFAOYSA-N 0 3 406.534 2.729 40 0 HFABHN CN(C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)c3ccncc3)CC2)c2ccccc21 ZINC000096052890 559092636 /nfs/dbraw/zinc/09/26/36/559092636.db2.gz XDCNBFQIYGPJQT-FQEVSTJZSA-N 0 3 420.557 2.811 40 0 HFABHN Cn1cc(CN2CCC3(C[C@@H](CC(=O)N4CCN(C)CC4)c4ccccc43)CC2)cn1 ZINC000096052930 559092777 /nfs/dbraw/zinc/09/27/77/559092777.db2.gz AAHWOTLXAHXFCD-OAQYLSRUSA-N 0 3 421.589 2.605 40 0 HFABHN Cc1ccc(N2CCc3sc(C(=O)N4CCN(c5ccncc5)CC4)cc32)nn1 ZINC000096087944 559095074 /nfs/dbraw/zinc/09/50/74/559095074.db2.gz POPPMFBZUZCSMY-UHFFFAOYSA-N 0 3 406.515 2.898 40 0 HFABHN COCCOc1cc(CN(C)C[C@H](O)COc2cccc(OC)c2)ccc1OC ZINC000585262570 559111128 /nfs/dbraw/zinc/11/11/28/559111128.db2.gz UBDILVZZMXMEIZ-SFHVURJKSA-N 0 3 405.491 2.601 40 0 HFABHN Cc1cccc(CNC[C@@]2(O)CN(C(=O)Cc3ccc(Cl)cc3)CC[C@@H]2O)c1C ZINC000585286433 559121962 /nfs/dbraw/zinc/12/19/62/559121962.db2.gz ZPAAKOKPEKCFAA-JTHBVZDNSA-N 0 3 416.949 2.613 40 0 HFABHN COc1cccc(-c2nc3c4c(ncn3n2)Oc2n[nH]c(C)c2C4c2cnn(C)c2)c1 ZINC000017089804 559122720 /nfs/dbraw/zinc/12/27/20/559122720.db2.gz SNVICJHYTSSCPR-MRXNPFEDSA-N 0 3 414.429 2.851 40 0 HFABHN COc1ccc(Cn2nnnc2[C@H](c2ccc(C)cc2)N2CCN3CCC[C@@H]3C2)cc1 ZINC000020098557 560880486 /nfs/dbraw/zinc/88/04/86/560880486.db2.gz YDHNHBFVZHYVEZ-GGAORHGYSA-N 0 3 418.545 2.908 40 0 HFABHN Nc1cccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)NCc3ccccc3)nn2)c1 ZINC000008254379 565090631 /nfs/dbraw/zinc/09/06/31/565090631.db2.gz OOWMNRBQZHRSNH-BWAGFHJFSA-N 0 3 416.529 2.554 40 0 biogenic,in-vitro HFABHN CN1CCC(NC(=O)CN2c3ccc(Cl)cc3-c3ccccc3S2(=O)=O)CC1 ZINC000219165637 568487537 /nfs/dbraw/zinc/48/75/37/568487537.db2.gz LKUZUBMKNUCCJB-UHFFFAOYSA-N 0 3 419.934 2.726 40 0 HFABHN Cn1c2ccc(CN3C[C@@H](c4ccccc4F)[C@]4(C3)CCCC(=O)N4)cc2n(C)c1=O ZINC000257221922 568782406 /nfs/dbraw/zinc/78/24/06/568782406.db2.gz DRDXZVPSUUGQAI-MHECFPHRSA-N 0 3 422.504 2.654 40 0 HFABHN CN1CCN([C@H]2CC[C@](CNC(=O)C(C)(C)C)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257227794 568784337 /nfs/dbraw/zinc/78/43/37/568784337.db2.gz FQXPPDUUUYHJLQ-HFMPRLQTSA-N 0 3 401.595 2.638 40 0 HFABHN Cc1cc(C(=O)N2CCN(C)[C@@H](c3ccccc3)C2)nc(C2(C)CCN(C)CC2)n1 ZINC000257246981 568789512 /nfs/dbraw/zinc/78/95/12/568789512.db2.gz IWUUSKOMUAYARL-OAQYLSRUSA-N 0 3 407.562 2.897 40 0 HFABHN CC1CCN(CC(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(N)=O)C2)CC1 ZINC000257298047 568804030 /nfs/dbraw/zinc/80/40/30/568804030.db2.gz RJWXKBSUYLDESD-LPHOPBHVSA-N 0 3 407.942 2.543 40 0 HFABHN CCc1[nH]nc(C(=O)N2CCC[C@@](O)(CN(C)Cc3ccc(OC)cc3)CC2)c1C ZINC000257299701 568804497 /nfs/dbraw/zinc/80/44/97/568804497.db2.gz RRCRPHNRAAWOCR-QHCPKHFHSA-N 0 3 414.550 2.778 40 0 HFABHN COc1ccc(CN(C)C[C@@]2(O)CCCN(C(=O)c3sc(N)nc3C)CC2)cc1 ZINC000257309670 568807303 /nfs/dbraw/zinc/80/73/03/568807303.db2.gz UBWZMVYNKNDZBT-OAQYLSRUSA-N 0 3 418.563 2.532 40 0 HFABHN CC(C)n1cc(CN2C[C@@H]3Cn4c(nnc4C(=O)Nc4cccc(F)c4)C[C@@H]3C2)cn1 ZINC000306123200 568886230 /nfs/dbraw/zinc/88/62/30/568886230.db2.gz AHEYWKHEKRHMJC-IAGOWNOFSA-N 0 3 423.496 2.751 40 0 HFABHN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4cccc(F)c4)C[C@@H]2C3)cc1 ZINC000306124185 568887219 /nfs/dbraw/zinc/88/72/19/568887219.db2.gz BIQKRLOSIWIFIY-IRXDYDNUSA-N 0 3 421.476 2.982 40 0 HFABHN COc1ccc(CN2CCO[C@@]3(CN(C4CCC4)C[C@@H]3c3cccnc3)C2=O)cc1 ZINC000306125313 568888143 /nfs/dbraw/zinc/88/81/43/568888143.db2.gz CMHACGRMSYKICE-ISKFKSNPSA-N 0 3 407.514 2.840 40 0 HFABHN COc1ccc(CN2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc1 ZINC000306128679 568891446 /nfs/dbraw/zinc/89/14/46/568891446.db2.gz HHZWHGIJSYGBCF-IBGZPJMESA-N 0 3 407.518 2.954 40 0 HFABHN CS(=O)(=O)N[C@H]1CCN(Cc2cccs2)C[C@]12CCN(Cc1ccccc1)C2 ZINC000306133892 568895879 /nfs/dbraw/zinc/89/58/79/568895879.db2.gz MYPBWZGBZMZKSP-SFTDATJTSA-N 0 3 419.616 2.764 40 0 HFABHN O=C1N(Cc2cccnc2)CCO[C@@]12CN(Cc1ccsc1)C[C@H]2c1cccnc1 ZINC000306145162 568906579 /nfs/dbraw/zinc/90/65/79/568906579.db2.gz ZZUNTUDDSAEDDY-JTHBVZDNSA-N 0 3 420.538 2.935 40 0 HFABHN CCOC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 ZINC000072228534 568919810 /nfs/dbraw/zinc/91/98/10/568919810.db2.gz YVKRDWLCDHDXAX-HXUWFJFHSA-N 0 3 407.514 2.925 40 0 HFABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218660283 568942806 /nfs/dbraw/zinc/94/28/06/568942806.db2.gz IMWMOEVGGCHCBX-WFXMLNOXSA-N 0 3 420.506 2.988 40 0 HFABHN CN(C)CCNc1nc(NCc2cccc(Br)c2)cc(C(F)(F)F)n1 ZINC000329016463 568972835 /nfs/dbraw/zinc/97/28/35/568972835.db2.gz NGXQMROHFZJPHE-UHFFFAOYSA-N 0 3 418.261 2.687 40 0 HFABHN CN(C)CCNc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2ccncc2)n1 ZINC000329027014 568973494 /nfs/dbraw/zinc/97/34/94/568973494.db2.gz PQDRUWLVLPDVLX-UHFFFAOYSA-N 0 3 418.423 2.998 40 0 HFABHN Fc1cccc([C@H](c2nnnn2CCc2ccccc2)N2CCN3CCC[C@H]3C2)c1 ZINC000001336135 569023789 /nfs/dbraw/zinc/02/37/89/569023789.db2.gz ZCBOEVSHBCJLLB-FCHUYYIVSA-N 0 3 406.509 2.924 40 0 HFABHN CN(C)c1cnnc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)c1 ZINC000224309776 569057010 /nfs/dbraw/zinc/05/70/10/569057010.db2.gz POLWHLIDZVMIRS-UHFFFAOYSA-N 0 3 410.305 2.577 40 0 HFABHN CNCc1cc(N(C)C)nc([C@@H]2CCCN2CC(=O)N(C(C)C)C2CCCCC2)n1 ZINC000019760882 569429596 /nfs/dbraw/zinc/42/95/96/569429596.db2.gz ICAFQJRKZLDMNZ-FQEVSTJZSA-N 0 3 416.614 2.969 40 0 HFABHN CCN(C(=O)CN(C)Cc1cc(N(C)C)nc([C@@H]2CCCN2)n1)c1cccc(C)c1 ZINC000019760313 569429671 /nfs/dbraw/zinc/42/96/71/569429671.db2.gz MYUAIWHXNJTZTM-FQEVSTJZSA-N 0 3 410.566 2.760 40 0 HFABHN COc1ccc2c(c1)C[C@H](CN1CCC3(CC1)C(=O)N(C)CN3c1ccccc1)O2 ZINC000001664546 557279121 /nfs/dbraw/zinc/27/91/21/557279121.db2.gz ZGSMDYBKPSCIDB-OAQYLSRUSA-N 0 3 407.514 2.769 40 0 HFABHN COc1cc(C(=O)N[C@H](COc2ccccc2)CN2CCCC2)cc(OC)c1OC ZINC000004213295 557529205 /nfs/dbraw/zinc/52/92/05/557529205.db2.gz QFSBWEZVTZCUPC-SFHVURJKSA-N 0 3 414.502 2.986 40 0 in-man HFABHN COc1ccc(CNCCCSc2nnnn2-c2ccccc2)c(OC)c1OC ZINC000007541394 557746296 /nfs/dbraw/zinc/74/62/96/557746296.db2.gz FVHRAQPTRYDORW-UHFFFAOYSA-N 0 3 415.519 2.960 40 0 HFABHN O=C(NC1CCCCC1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(C2(O)CCCCC2)nn1 ZINC000008298916 557780526 /nfs/dbraw/zinc/78/05/26/557780526.db2.gz SHIYCBJBIOPVFD-RLLQIKCJSA-N 0 3 415.582 2.589 40 0 biogenic,in-vitro HFABHN O=C(Cn1cccc(C(=O)NC2CCCC2)c1=O)Nc1ccccc1CN1CCCC1 ZINC000019746352 558266358 /nfs/dbraw/zinc/26/63/58/558266358.db2.gz JWQAXRBLNAKESF-UHFFFAOYSA-N 0 3 422.529 2.755 40 0 HFABHN CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)C2CCN(C)CC2)nc1C ZINC000019753690 558273029 /nfs/dbraw/zinc/27/30/29/558273029.db2.gz ZKHVWVWDMFKYCL-IBGZPJMESA-N 0 3 401.555 2.662 40 0 HFABHN CC(C)(C)c1n[nH]cc1CN1CC[C@@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 ZINC000019761928 558276836 /nfs/dbraw/zinc/27/68/36/558276836.db2.gz VFBRTXYPWAMCST-MRXNPFEDSA-N 0 3 421.545 2.967 40 0 HFABHN CC(C)(C)c1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNC[C@H]3COCCO3)cc12 ZINC000012186543 558345687 /nfs/dbraw/zinc/34/56/87/558345687.db2.gz PIXMQUISADFTJG-KRWDZBQOSA-N 0 3 414.481 2.655 40 0 HFABHN COc1cc(CN2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)ccc1OCC(N)=O ZINC000012293135 558366227 /nfs/dbraw/zinc/36/62/27/558366227.db2.gz LRBUGTIHIIUDJD-NWMVZANLSA-N 0 3 414.477 2.713 40 0 HFABHN O=C(CC1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 ZINC000039964133 558823132 /nfs/dbraw/zinc/82/31/32/558823132.db2.gz MAFSJHACJMYHSL-KRWDZBQOSA-N 0 3 404.426 2.886 40 0 HFABHN Fc1cccc([C@H](c2nnnn2CCc2ccccc2)N2CCN3CCC[C@@H]3C2)c1 ZINC000019371431 558879243 /nfs/dbraw/zinc/87/92/43/558879243.db2.gz ZCBOEVSHBCJLLB-FGZHOGPDSA-N 0 3 406.509 2.924 40 0 HFABHN COc1ccc(CN2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCC4)n3)C2)cc1 ZINC000019450075 558888649 /nfs/dbraw/zinc/88/86/49/558888649.db2.gz WQXAZVLGIRDMNW-SFTDATJTSA-N 0 3 423.561 2.826 40 0 HFABHN CCOc1ccc(C[N@@H+]2CCc3nc(-c4cccnc4)[n-]c(=O)c3CC2)cc1OC ZINC000019533914 558913490 /nfs/dbraw/zinc/91/34/90/558913490.db2.gz UPPIEDQNIJHRLG-UHFFFAOYSA-N 0 3 406.486 2.840 40 0 HFABHN CCOc1ccc(C[N@H+]2CCc3nc(-c4cccnc4)[n-]c(=O)c3CC2)cc1OC ZINC000019533914 558913492 /nfs/dbraw/zinc/91/34/92/558913492.db2.gz UPPIEDQNIJHRLG-UHFFFAOYSA-N 0 3 406.486 2.840 40 0 HFABHN COc1cc(CN2CCC[C@H](Cn3nnc(-c4cccnc4)n3)C2)cc(OC)c1OC ZINC000019549799 558914628 /nfs/dbraw/zinc/91/46/28/558914628.db2.gz VTGZGNKDAVNNGY-INIZCTEOSA-N 0 3 424.505 2.673 40 0 HFABHN COc1nc(C)c(CC(=O)NC2CCN(CC3(c4ccccc4)CC3)CC2)c(OC)n1 ZINC000019579492 558935098 /nfs/dbraw/zinc/93/50/98/558935098.db2.gz UOOVUQMHCYUTMG-UHFFFAOYSA-N 0 3 424.545 2.657 40 0 HFABHN COCCOc1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cc1 ZINC000019593680 558944587 /nfs/dbraw/zinc/94/45/87/558944587.db2.gz RGVXTXKTXFHLOO-LJQANCHMSA-N 0 3 406.486 2.847 40 0 HFABHN COCCOc1ccc(C[N@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cc1 ZINC000019593680 558944590 /nfs/dbraw/zinc/94/45/90/558944590.db2.gz RGVXTXKTXFHLOO-LJQANCHMSA-N 0 3 406.486 2.847 40 0 HFABHN COC[C@H]1CN(CCc2ccccc2)CCN(C(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000072354511 558951833 /nfs/dbraw/zinc/95/18/33/558951833.db2.gz SMYJZHHLGHCGQF-NRFANRHFSA-N 0 3 409.530 2.908 40 0 HFABHN O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C3CCCC3)C1)C2=O ZINC000019699649 558966748 /nfs/dbraw/zinc/96/67/48/558966748.db2.gz PEZGXQFIRNLFQX-FQEVSTJZSA-N 0 3 424.545 2.620 40 0 HFABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)Cc1c[nH]c3ccccc13)C2 ZINC000019710676 558972860 /nfs/dbraw/zinc/97/28/60/558972860.db2.gz OVHRBTRHGPQMNZ-UHFFFAOYSA-N 0 3 418.545 2.936 40 0 HFABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@@H](C[N@@H+](C)[C@H]4CC[C@H](O)CC4)C3)CC2)c1 ZINC000585104870 559027450 /nfs/dbraw/zinc/02/74/50/559027450.db2.gz UVYHPQAAEIKNSN-VAMGGRTRSA-N 0 3 416.562 2.947 40 0 HFABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@@H](C[N@H+](C)[C@H]4CC[C@H](O)CC4)C3)CC2)c1 ZINC000585104870 559027452 /nfs/dbraw/zinc/02/74/52/559027452.db2.gz UVYHPQAAEIKNSN-VAMGGRTRSA-N 0 3 416.562 2.947 40 0 HFABHN O=C(NCc1ccc(F)cc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008253988 559033221 /nfs/dbraw/zinc/03/32/21/559033221.db2.gz VUFFUXCBNWCDSU-RLLQIKCJSA-N 0 3 420.492 2.506 40 0 biogenic,in-vitro HFABHN CCN1CC[C@]2(CN(Cc3cccnc3)CC23CCN(C(=O)c2ccco2)CC3)C1=O ZINC000096036476 559090239 /nfs/dbraw/zinc/09/02/39/559090239.db2.gz GVSKOPJUMOZWPO-DEOSSOPVSA-N 0 3 422.529 2.651 40 0 HFABHN CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccc(F)cc3)CC2)O1 ZINC000096036871 559090683 /nfs/dbraw/zinc/09/06/83/559090683.db2.gz RJJBUGYOINNFHW-IBGZPJMESA-N 0 3 400.498 2.781 40 0 HFABHN COc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2N2CCCCC2)cc1 ZINC000585262398 559110853 /nfs/dbraw/zinc/11/08/53/559110853.db2.gz MYAOLAZYAACDHF-LUKWVAJMSA-N 0 3 410.514 2.860 40 0 HFABHN O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCCC1)c1ccc(F)cc1 ZINC000585262400 559110945 /nfs/dbraw/zinc/11/09/45/559110945.db2.gz NCOXZTFCGGLPMZ-CGXNFDGLSA-N 0 3 402.441 2.740 40 0 HFABHN Cc1cc(C)n(CCOc2ccc(CNC[C@]3(O)CCN(c4ccccn4)C3)cc2)n1 ZINC000585271505 559115789 /nfs/dbraw/zinc/11/57/89/559115789.db2.gz ZKRGOWGABXIBPB-XMMPIXPASA-N 0 3 421.545 2.705 40 0 HFABHN O[C@H]1CCN(CC2(O)CCCCCC2)C[C@]1(O)COc1ccc(Cl)c(F)c1 ZINC000585285903 559121696 /nfs/dbraw/zinc/12/16/96/559121696.db2.gz DRYNCPKZVQYOCL-ICSRJNTNSA-N 0 3 401.906 2.741 40 0 HFABHN Cc1cnc(Nc2cc(C[C@@H]3CCCN(C(=O)/C=C/CN(C)C)C3)ncn2)s1 ZINC000585292717 559124453 /nfs/dbraw/zinc/12/44/53/559124453.db2.gz RSMAPURKROAHRY-YERXGYGTSA-N 0 3 400.552 2.884 40 0 HFABHN Cc1cc(C)nc(Nc2cc(C[C@H]3CCCN(C(=O)/C=C/CN(C)C)C3)ncn2)n1 ZINC000585292920 559125457 /nfs/dbraw/zinc/12/54/57/559125457.db2.gz UJASCHCWGRBSDI-JHTBKMLMSA-N 0 3 409.538 2.526 40 0 HFABHN Cc1cc(C)nc(Nc2cc(C[C@@H]3CCCN(C(=O)/C=C/CN(C)C)C3)ncn2)n1 ZINC000585292916 559125498 /nfs/dbraw/zinc/12/54/98/559125498.db2.gz UJASCHCWGRBSDI-IWHGQQBYSA-N 0 3 409.538 2.526 40 0 HFABHN CCCN1CCN(C(=O)CNC)C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000257300152 559285852 /nfs/dbraw/zinc/28/58/52/559285852.db2.gz RTDGNKNFGIWXHP-HXUWFJFHSA-N 0 3 423.557 2.821 40 0 HFABHN Cc1cc(Cl)ccc1N(CC(=O)NCCN(C)C)S(=O)(=O)c1ccccc1 ZINC000010111531 560763809 /nfs/dbraw/zinc/76/38/09/560763809.db2.gz LUPSBHOWHCDVKW-UHFFFAOYSA-N 0 3 409.939 2.522 40 0 HFABHN CC[C@H](C(=O)NC1CCN(C)CC1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000220698139 568508490 /nfs/dbraw/zinc/50/84/90/568508490.db2.gz HNLMRAIRJLFHAR-MRXNPFEDSA-N 0 3 422.378 2.748 40 0 HFABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 ZINC000223282262 568544063 /nfs/dbraw/zinc/54/40/63/568544063.db2.gz KPGPVCCEGKKEAP-LEWJYISDSA-N 0 3 406.559 2.861 40 0 HFABHN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 ZINC000223680314 568555989 /nfs/dbraw/zinc/55/59/89/568555989.db2.gz ZBSBRMHKPKLPKJ-UXHICEINSA-N 0 3 407.499 2.803 40 0 HFABHN CN(C)[C@@H]1C[C@@H](C(N)=O)N(CC(=O)Nc2cccc3c2CCCC3)[C@H]1c1ccccc1 ZINC000257212080 568779641 /nfs/dbraw/zinc/77/96/41/568779641.db2.gz CBVOXSXQPQTICP-GPXNEJASSA-N 0 3 420.557 2.735 40 0 HFABHN Cc1ccc2nccc(N3CCC(O)(CN(C)C(=O)c4cccc(CN)c4)CC3)c2n1 ZINC000257233214 568785566 /nfs/dbraw/zinc/78/55/66/568785566.db2.gz GOGVRLDMKOPVDK-UHFFFAOYSA-N 0 3 419.529 2.500 40 0 HFABHN CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2ccccc2CN2CCCC2)C1 ZINC000257266880 568794678 /nfs/dbraw/zinc/79/46/78/568794678.db2.gz MEZFSBWZNRFXKD-XMMPIXPASA-N 0 3 406.530 2.597 40 0 HFABHN CNc1cc(CN(C)C(=O)CCN(C)c2ccc(F)cc2)nc([C@@H]2CCCN2)n1 ZINC000019759869 568870563 /nfs/dbraw/zinc/87/05/63/568870563.db2.gz MKFJGPPVVVQFKI-SFHVURJKSA-N 0 3 400.502 2.567 40 0 HFABHN CC(C)n1cc(CN2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)cn1 ZINC000306123201 568886427 /nfs/dbraw/zinc/88/64/27/568886427.db2.gz AHEYWKHEKRHMJC-IRXDYDNUSA-N 0 3 423.496 2.751 40 0 HFABHN O=c1c(=O)n(CC2CCCCC2)nc2n1C[C@H]1CCN(Cc3cccc(F)c3)C[C@H]21 ZINC000306133114 568895347 /nfs/dbraw/zinc/89/53/47/568895347.db2.gz MCLXMTMHDRCKGG-QUCCMNQESA-N 0 3 412.509 2.744 40 0 HFABHN CS(=O)(=O)N[C@H]1CCN(Cc2cccs2)C[C@@]12CCN(Cc1ccccc1)C2 ZINC000306133889 568895806 /nfs/dbraw/zinc/89/58/06/568895806.db2.gz MYPBWZGBZMZKSP-LEWJYISDSA-N 0 3 419.616 2.764 40 0 HFABHN O=C(NCc1ccco1)c1nnc2n1CC1(C2)CCN(Cc2cccc(F)c2)CC1 ZINC000306133718 568895964 /nfs/dbraw/zinc/89/59/64/568895964.db2.gz MTNUPMXMOZPYIY-UHFFFAOYSA-N 0 3 409.465 2.779 40 0 HFABHN COc1ccc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(CC2CC2)C3=O)cc1 ZINC000306144172 568905609 /nfs/dbraw/zinc/90/56/09/568905609.db2.gz YXZUJLWGJQNHFF-LADGPHEKSA-N 0 3 407.514 2.697 40 0 HFABHN COc1ccc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(CC2CC2)C3=O)cc1 ZINC000306144171 568905647 /nfs/dbraw/zinc/90/56/47/568905647.db2.gz YXZUJLWGJQNHFF-ISKFKSNPSA-N 0 3 407.514 2.697 40 0 HFABHN COc1ccc(N(C)S(C)(=O)=O)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 ZINC000026675175 569052396 /nfs/dbraw/zinc/05/23/96/569052396.db2.gz GZLOIBNBDUHEFY-FPOVZHCZSA-N 0 3 403.548 2.674 40 0 in-vitro HFABHN CCN(CC)CC(=O)NCC[C@@H]1C[C@H](NC(C)=O)C[C@H](c2cc(F)cc(F)c2)O1 ZINC000019712408 569429076 /nfs/dbraw/zinc/42/90/76/569429076.db2.gz VEHBTPCKIVAODL-XUVXKRRUSA-N 0 3 411.493 2.538 40 0 HFABHN CCN(C(=O)CN(C)Cc1cc(N(C)C)nc([C@H]2CCCN2)n1)c1cccc(C)c1 ZINC000019760315 569429660 /nfs/dbraw/zinc/42/96/60/569429660.db2.gz MYUAIWHXNJTZTM-HXUWFJFHSA-N 0 3 410.566 2.760 40 0 HFABHN CCN(C(=O)CN1CCC[C@H]1c1nc(CNC)cc(N(C)C)n1)c1cccc(C)c1 ZINC000019760789 569429693 /nfs/dbraw/zinc/42/96/93/569429693.db2.gz OPOQBZMGSFEROD-FQEVSTJZSA-N 0 3 410.566 2.760 40 0 HFABHN CS(=O)(=O)c1ccc(CNC[C@H]2Cn3c(-c4ccc(F)cc4)cnc3CO2)cc1 ZINC000096296375 291226110 /nfs/dbraw/zinc/22/61/10/291226110.db2.gz ILONFPYPQDGOKO-SFHVURJKSA-N 0 3 415.490 2.781 40 0 biogenic,in-vitro HFABHN C[C@]1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC(=O)N2C=CC=CC2=N1 ZINC000035316647 557691406 /nfs/dbraw/zinc/69/14/06/557691406.db2.gz WZDLVXHQCKKFJI-HSZRJFAPSA-N 0 3 408.502 2.963 40 0 HFABHN CCn1nc(CC(=O)N(CCN(C)C)Cc2ccccc2F)c2ccccc2c1=O ZINC000012238144 558358926 /nfs/dbraw/zinc/35/89/26/558358926.db2.gz CIUXNZYDIBXJSV-UHFFFAOYSA-N 0 3 410.493 2.688 40 0 HFABHN CC[C@H](C(=O)NCCN1CCCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712885 558576978 /nfs/dbraw/zinc/57/69/78/558576978.db2.gz MWZGELWFPOPHPV-GOSISDBHSA-N 0 3 415.987 2.877 40 0 HFABHN O=C(C1CC1)N1CCc2nc([C@@H]3CCCN(Cc4ccc(F)cc4)C3)[nH]c(=O)c2C1 ZINC000019334062 558869134 /nfs/dbraw/zinc/86/91/34/558869134.db2.gz AIBVCCVWSKQOSB-QGZVFWFLSA-N 0 3 410.493 2.583 40 0 HFABHN CCc1nc2ccccc2c(=O)n1CC1(O)CCN(Cc2cccc(OC)c2)CC1 ZINC000019523241 558904402 /nfs/dbraw/zinc/90/44/02/558904402.db2.gz DYOBXCOJKWWKKN-UHFFFAOYSA-N 0 3 407.514 2.995 40 0 HFABHN COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN(C(=O)C3CCN(C)CC3)C2)cc1 ZINC000072346255 558943110 /nfs/dbraw/zinc/94/31/10/558943110.db2.gz GVSOLXVUEZCEPA-GOSISDBHSA-N 0 3 409.534 2.782 40 0 HFABHN COCCOc1cccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)c1 ZINC000019593777 558945002 /nfs/dbraw/zinc/94/50/02/558945002.db2.gz SLJZBSMDDCYKEE-LJQANCHMSA-N 0 3 406.486 2.847 40 0 HFABHN COCCOc1cccc(C[N@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)c1 ZINC000019593777 558945003 /nfs/dbraw/zinc/94/50/03/558945003.db2.gz SLJZBSMDDCYKEE-LJQANCHMSA-N 0 3 406.486 2.847 40 0 HFABHN COc1cc(OC)c(OC)cc1CN1C[C@@H]2C[C@@H](O)CN2C[C@H]1Cc1ccccc1 ZINC000019595017 558945908 /nfs/dbraw/zinc/94/59/08/558945908.db2.gz FFOHACBIFXXORV-QHAWAJNXSA-N 0 3 412.530 2.575 40 0 HFABHN CN(C)[C@@H](CNC(=O)c1ccnc(N2CCN(C)CC2)c1)c1cccc(Cl)c1 ZINC000019654644 558947800 /nfs/dbraw/zinc/94/78/00/558947800.db2.gz DEPWIMCQXDQQBK-IBGZPJMESA-N 0 3 401.942 2.520 40 0 HFABHN COc1cccc2cc(C(=O)N3CCC[C@]4(CCCN4CC(=O)N(C)C)CC3)oc21 ZINC000585100529 559024030 /nfs/dbraw/zinc/02/40/30/559024030.db2.gz MHKVWVXQUFRLCM-QHCPKHFHSA-N 0 3 413.518 2.990 40 0 HFABHN CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccc(OC)cc3)CC2)O1 ZINC000096036873 559090695 /nfs/dbraw/zinc/09/06/95/559090695.db2.gz BMXAOQDELRYUJN-FQEVSTJZSA-N 0 3 412.534 2.650 40 0 HFABHN COc1cccc(-c2nc3c(s2)N(CC2CC2)[C@H](C(=O)NCCN(C)C)C3)c1 ZINC000096146757 559098153 /nfs/dbraw/zinc/09/81/53/559098153.db2.gz FKLRZKMYRFWCLM-SFHVURJKSA-N 0 3 400.548 2.638 40 0 HFABHN CCOc1cc(CN(C)C[C@H](O)c2ccccc2)ccc1OCCN1CCOCC1 ZINC000585272070 559117813 /nfs/dbraw/zinc/11/78/13/559117813.db2.gz ITHBNRCPMXSBQL-QFIPXVFZSA-N 0 3 414.546 2.962 40 0 HFABHN CCOc1ccccc1OC[C@H](O)CN(C)Cc1cccc(CN2CCOCC2)c1 ZINC000585274183 559118454 /nfs/dbraw/zinc/11/84/54/559118454.db2.gz UHNKJMUCVYSAII-JOCHJYFZSA-N 0 3 414.546 2.789 40 0 HFABHN Cc1cccc(OC[C@@]2(O)COCCN(Cc3ccc(OCCN(C)C)cc3)C2)c1 ZINC000585274142 559118499 /nfs/dbraw/zinc/11/84/99/559118499.db2.gz WRQBRALASULZHW-DEOSSOPVSA-N 0 3 414.546 2.578 40 0 HFABHN CC(=O)NCCCOc1ccc(CN2CCC[C@](O)(COc3ccccc3)C2)cc1 ZINC000585279642 559119262 /nfs/dbraw/zinc/11/92/62/559119262.db2.gz DZQCUYWPCSWPMX-XMMPIXPASA-N 0 3 412.530 2.998 40 0 HFABHN CCOC(=O)N1CCC(N2CCOC[C@@](O)(COc3cc(C)cc(C)c3C)C2)CC1 ZINC000585282017 559119748 /nfs/dbraw/zinc/11/97/48/559119748.db2.gz FTVWJSJPPHUDHY-HSZRJFAPSA-N 0 3 420.550 2.675 40 0 HFABHN O=C(Cc1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(CNCc2cccc(Cl)c2)C1 ZINC000585283567 559120603 /nfs/dbraw/zinc/12/06/03/559120603.db2.gz FCLDUPPHRWGBLK-PZJWPPBQSA-N 0 3 423.340 2.650 40 0 HFABHN COc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=O)NC3CCCCC3)cc2c1 ZINC000001327281 560573520 /nfs/dbraw/zinc/57/35/20/560573520.db2.gz AYPLUWNQKNJGDA-UHFFFAOYSA-N 0 3 400.523 2.943 40 0 HFABHN COc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)cc1Br ZINC000007728797 560752040 /nfs/dbraw/zinc/75/20/40/560752040.db2.gz PHTWKRRWIKIILG-UHFFFAOYSA-N 0 3 405.358 2.858 40 0 HFABHN Cc1ccc2[nH]c3c(ncn(CC(=O)N4CCN(C5CCCCC5)CC4)c3=O)c2c1 ZINC000014001130 560837316 /nfs/dbraw/zinc/83/73/16/560837316.db2.gz ZGUABLILDLMOGB-UHFFFAOYSA-N 0 3 407.518 2.663 40 0 HFABHN CC[C@@H](C)[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000015959307 560857734 /nfs/dbraw/zinc/85/77/34/560857734.db2.gz IBXANRPQRNBPCR-GYPUZHRCSA-N 0 3 403.482 2.653 40 0 HFABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000223685659 568556218 /nfs/dbraw/zinc/55/62/18/568556218.db2.gz HPMQOKBURCNNPO-IBGZPJMESA-N 0 3 419.591 2.919 40 0 HFABHN CN(c1ccc(C(=O)NC2CCN(C)CC2)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000224236328 568574677 /nfs/dbraw/zinc/57/46/77/568574677.db2.gz MIZZEHXLKCVJPM-UHFFFAOYSA-N 0 3 421.950 2.989 40 0 HFABHN CN(C)c1cnnc(N2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)c1 ZINC000224309834 568577473 /nfs/dbraw/zinc/57/74/73/568577473.db2.gz NZFITSDPRCWVSC-UHFFFAOYSA-N 0 3 403.914 2.702 40 0 HFABHN CCN(Cc1ccc(C(=O)NCCN(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224462602 568581981 /nfs/dbraw/zinc/58/19/81/568581981.db2.gz UGWHCKUTVAAZFY-UHFFFAOYSA-N 0 3 423.966 2.842 40 0 HFABHN COc1ccc(N2C(=O)C[C@H](NCCc3ccc(OC)c(OC)c3)C2=O)cc1Cl ZINC000020494143 568615314 /nfs/dbraw/zinc/61/53/14/568615314.db2.gz XJVPHMZQKBFSHW-INIZCTEOSA-N 0 3 418.877 2.830 40 0 HFABHN Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)C2(Cc3ccccc3)CCN(C)CC2)[C@H]1O ZINC000257310737 568807492 /nfs/dbraw/zinc/80/74/92/568807492.db2.gz UGHLPCUGVVTFOQ-YPAWHYETSA-N 0 3 410.562 2.717 40 0 HFABHN O=C(c1ccc2c(c1)OCO2)N1CCO[C@]2(CCCC[C@@H]2NCc2cccnc2)C1 ZINC000306130001 568892505 /nfs/dbraw/zinc/89/25/05/568892505.db2.gz ITRDMNMLAGMEKL-JTHBVZDNSA-N 0 3 409.486 2.754 40 0 HFABHN CC[C@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3ccccc3F)CC1)COC2 ZINC000306136548 568898501 /nfs/dbraw/zinc/89/85/01/568898501.db2.gz PWLMAOHVSHJTRQ-INIZCTEOSA-N 0 3 415.513 2.758 40 0 HFABHN CCn1cc(CN2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)cn1 ZINC000306138785 568900619 /nfs/dbraw/zinc/90/06/19/568900619.db2.gz SHNJHNGWUCIZQU-NFBKMPQASA-N 0 3 410.566 2.909 40 0 HFABHN CC(C)(C)NC(=O)c1nnc2n1CC1(CCN(Cc3cccs3)CC1)COC2 ZINC000306142048 568903717 /nfs/dbraw/zinc/90/37/17/568903717.db2.gz WNPMNEYKYDVOSG-UHFFFAOYSA-N 0 3 403.552 2.681 40 0 HFABHN Cn1cc(C(=O)N2CCO[C@]3(CCCC[C@H]3N3CCCC3)C2)c(=O)c2ccccc21 ZINC000306143587 568905036 /nfs/dbraw/zinc/90/50/36/568905036.db2.gz YGJZWUDEQKDDHB-ZJSXRUAMSA-N 0 3 409.530 2.788 40 0 HFABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218037045 568924588 /nfs/dbraw/zinc/92/45/88/568924588.db2.gz CYPPSCAOSORZEQ-LVCYWYKZSA-N 0 3 402.516 2.849 40 0 HFABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000252515281 569283861 /nfs/dbraw/zinc/28/38/61/569283861.db2.gz IDDWGOGVDCIUJZ-WAOWUJCRSA-N 0 3 420.506 2.988 40 0 HFABHN CCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CCC3CCCCC3)C1)C2=O ZINC000019699831 569347098 /nfs/dbraw/zinc/34/70/98/569347098.db2.gz WLACDGLHWIWYLE-IBGZPJMESA-N 0 3 418.582 2.744 40 0 HFABHN CN(Cc1nc(C2(O)CCN(C3CCOCC3)CC2)cs1)Cc1cccnc1 ZINC000225425885 291220280 /nfs/dbraw/zinc/22/02/80/291220280.db2.gz DOYIAOIJIGATSM-UHFFFAOYSA-N 0 3 402.564 2.633 40 0 biogenic,in-vitro HFABHN Cc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C3CCCC3)CC2)cc1 ZINC000020140738 525980576 /nfs/dbraw/zinc/98/05/76/525980576.db2.gz OHQUQEPLOXLIAC-FGZHOGPDSA-N 0 3 410.566 2.810 40 0 HFABHN COc1cc(OC)c(OC)cc1CNCCCSc1nnnn1-c1ccccc1 ZINC000007541383 557746315 /nfs/dbraw/zinc/74/63/15/557746315.db2.gz XHIQELDIBCHINN-UHFFFAOYSA-N 0 3 415.519 2.960 40 0 HFABHN COCC(=O)NCc1cnc2cc(C)nn2c1C1CCN(Cc2ccccc2)CC1 ZINC000019743662 558264281 /nfs/dbraw/zinc/26/42/81/558264281.db2.gz WRSIMLVIQKEZCK-UHFFFAOYSA-N 0 3 407.518 2.680 40 0 HFABHN COc1ccc2c(c1)c([C@@H](O)CN1CCC(O)(Cn3ccnc3C)CC1)c(C)n2C ZINC000012143550 558335410 /nfs/dbraw/zinc/33/54/10/558335410.db2.gz OATYPWHXDRKOAG-NRFANRHFSA-N 0 3 412.534 2.561 40 0 HFABHN C[C@@H]1C[C@@H](C)CN(CC(=O)N2CCC(c3cc(=O)n4c(n3)CCCCC4)CC2)C1 ZINC000012235886 558358762 /nfs/dbraw/zinc/35/87/62/558358762.db2.gz WXEGXCOVYOMXLN-QZTJIDSGSA-N 0 3 400.567 2.654 40 0 HFABHN COc1ccc(CN2CC=CC[C@@]3(C(=O)N4CCN(C)CC4)CCC[C@@H]23)c(F)c1 ZINC000012326469 558383257 /nfs/dbraw/zinc/38/32/57/558383257.db2.gz DCBPSHMAGULYMU-FYYLOGMGSA-N 0 3 401.526 2.909 40 0 HFABHN CC[C@H](C(=O)NCCN1CCCCCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716854 558579747 /nfs/dbraw/zinc/57/97/47/558579747.db2.gz IKPAXLYVWXJVIM-HXUWFJFHSA-N 0 3 409.596 2.840 40 0 HFABHN Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N[C@H](C)C(C)C)CC1(CCN(C)CC1)O2 ZINC000019218399 558851228 /nfs/dbraw/zinc/85/12/28/558851228.db2.gz ZFRJTJCYEMQAQT-MSOLQXFVSA-N 0 3 401.551 2.843 40 0 HFABHN Cc1ccsc1C[N@@H+]1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(C(=O)C2CC2)CC3)C1 ZINC000019238638 558857433 /nfs/dbraw/zinc/85/74/33/558857433.db2.gz KTHWPCFVRVWUAJ-INIZCTEOSA-N 0 3 412.559 2.814 40 0 HFABHN Cc1ccsc1C[N@H+]1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(C(=O)C2CC2)CC3)C1 ZINC000019238638 558857435 /nfs/dbraw/zinc/85/74/35/558857435.db2.gz KTHWPCFVRVWUAJ-INIZCTEOSA-N 0 3 412.559 2.814 40 0 HFABHN O=C(c1ccn(C(F)F)n1)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1 ZINC000019372179 558879489 /nfs/dbraw/zinc/87/94/89/558879489.db2.gz GVZSIRARPZMDHZ-UHFFFAOYSA-N 0 3 403.477 2.701 40 0 HFABHN O=C(c1ccc(F)cc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)N1CCC(O)CC1 ZINC000019372503 558879754 /nfs/dbraw/zinc/87/97/54/558879754.db2.gz LTQYETQTOKCDLN-FGZHOGPDSA-N 0 3 410.489 2.740 40 0 HFABHN CC(C)[N@@H+]1CCc2c(nc([C@H]3CCCN3C(=O)c3ccc4c(c3)OCO4)[n-]c2=O)C1 ZINC000019448415 558887321 /nfs/dbraw/zinc/88/73/21/558887321.db2.gz BTKWVCQFUOUUJY-QGZVFWFLSA-N 0 3 410.474 2.655 40 0 HFABHN CC(C)[N@H+]1CCc2c(nc([C@H]3CCCN3C(=O)c3ccc4c(c3)OCO4)[n-]c2=O)C1 ZINC000019448415 558887324 /nfs/dbraw/zinc/88/73/24/558887324.db2.gz BTKWVCQFUOUUJY-QGZVFWFLSA-N 0 3 410.474 2.655 40 0 HFABHN COc1ccc(CN2CCC(CNC(=O)C[C@H]3Oc4ccccc4NC3=O)CC2)cc1 ZINC000019554991 558917928 /nfs/dbraw/zinc/91/79/28/558917928.db2.gz BZKMHXKAKMCDNT-JOCHJYFZSA-N 0 3 423.513 2.813 40 0 HFABHN COCCOc1ccc(C[N@@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cc1 ZINC000019593682 558944790 /nfs/dbraw/zinc/94/47/90/558944790.db2.gz RGVXTXKTXFHLOO-IBGZPJMESA-N 0 3 406.486 2.847 40 0 HFABHN COCCOc1ccc(C[N@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cc1 ZINC000019593682 558944792 /nfs/dbraw/zinc/94/47/92/558944792.db2.gz RGVXTXKTXFHLOO-IBGZPJMESA-N 0 3 406.486 2.847 40 0 HFABHN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CCN(C)CC3)cc2)cc1 ZINC000061497987 558945348 /nfs/dbraw/zinc/94/53/48/558945348.db2.gz RYSOEZWNQLESKK-UHFFFAOYSA-N 0 3 401.532 2.644 40 0 HFABHN COc1ccccc1CN(C(=O)c1nc2ccccc2n(C)c1=O)C1CCN(C)CC1 ZINC000019666391 558956249 /nfs/dbraw/zinc/95/62/49/558956249.db2.gz PPCYACVQBSQCJQ-UHFFFAOYSA-N 0 3 420.513 2.679 40 0 HFABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)CCc1ccc(F)cc1)C2 ZINC000019707823 558969922 /nfs/dbraw/zinc/96/99/22/558969922.db2.gz HPXPWLLBPOOHBI-UHFFFAOYSA-N 0 3 411.525 2.984 40 0 HFABHN C[C@@H](c1ccccc1)N1C(=O)C[C@H]2[C@@H]1CCN2Cc1ccnc(N2CCOCC2)c1 ZINC000585109147 559030317 /nfs/dbraw/zinc/03/03/17/559030317.db2.gz YAONYENQMNRGBX-NYVOZVTQSA-N 0 3 406.530 2.855 40 0 HFABHN CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(Cc2ccc(C)s2)CC3)C1=O ZINC000096036577 559090440 /nfs/dbraw/zinc/09/04/40/559090440.db2.gz ZSLSWZFHEXRQJR-JOCHJYFZSA-N 0 3 418.607 2.875 40 0 HFABHN Cc1ccc(CN2CCC[C@]3(C(=O)NCC4CC4)CN(c4ncccn4)C[C@@H]3C2)o1 ZINC000096056145 559093924 /nfs/dbraw/zinc/09/39/24/559093924.db2.gz KWIJBYNQBIXHCE-CVDCTZTESA-N 0 3 409.534 2.623 40 0 HFABHN CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1CN(C(=O)c1ccccn1)CCC2 ZINC000096056093 559094039 /nfs/dbraw/zinc/09/40/39/559094039.db2.gz ITGNKMIUCXMTNS-DVECYGJZSA-N 0 3 422.529 2.703 40 0 HFABHN COc1cccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2N2CCCC2)c1 ZINC000585262404 559110913 /nfs/dbraw/zinc/11/09/13/559110913.db2.gz OYSZHBFCCVYJHI-CZYKHXBRSA-N 0 3 414.477 2.609 40 0 HFABHN CCOC(=O)N1CCC(N2CCOC[C@](O)(COc3cc(C)cc(C)c3C)C2)CC1 ZINC000585282018 559119737 /nfs/dbraw/zinc/11/97/37/559119737.db2.gz FTVWJSJPPHUDHY-QHCPKHFHSA-N 0 3 420.550 2.675 40 0 HFABHN CC(=O)N1CCN(CC2(O)CCCCCC2)C[C@](O)(COc2cc(C)cc(C)c2)C1 ZINC000585284990 559121443 /nfs/dbraw/zinc/12/14/43/559121443.db2.gz BINHKZSYHQSRIB-XMMPIXPASA-N 0 3 418.578 2.663 40 0 HFABHN CCN1CC[C@]2(CN(c3ncccn3)CC23CCN(Cc2ccsc2)CC3)C1=O ZINC000097952891 559125064 /nfs/dbraw/zinc/12/50/64/559125064.db2.gz ASBCKKULNFPWLK-QFIPXVFZSA-N 0 3 411.575 2.879 40 0 HFABHN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2N2CCNCC2)cc1 ZINC000072216381 559169545 /nfs/dbraw/zinc/16/95/45/559169545.db2.gz TZFUQISIEZTIAW-FQEVSTJZSA-N 0 3 400.548 2.716 40 0 HFABHN Cc1ccc2cc(CN(CCN(C)C)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1C ZINC000004133492 560600478 /nfs/dbraw/zinc/60/04/78/560600478.db2.gz RKSBCKJHWDGMTR-IBGZPJMESA-N 0 3 416.591 2.562 40 0 HFABHN Cc1ccc(Cl)cc1N(CC(=O)NCCN(C)C)S(=O)(=O)c1ccccc1 ZINC000010111532 560779763 /nfs/dbraw/zinc/77/97/63/560779763.db2.gz HQJOVMFZCULSLT-UHFFFAOYSA-N 0 3 409.939 2.522 40 0 HFABHN COCCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C ZINC000223264775 568543333 /nfs/dbraw/zinc/54/33/33/568543333.db2.gz VFJXLLNQENDAOC-VQTJNVASSA-N 0 3 401.580 2.680 40 0 HFABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccccn1 ZINC000223282217 568544009 /nfs/dbraw/zinc/54/40/09/568544009.db2.gz KPGPVCCEGKKEAP-RTWAWAEBSA-N 0 3 406.559 2.861 40 0 HFABHN COc1ccc(OC)c(S(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000223710209 568556936 /nfs/dbraw/zinc/55/69/36/568556936.db2.gz PNSYVUQWLKSPOP-UHFFFAOYSA-N 0 3 420.531 2.655 40 0 HFABHN Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NC3CCN(C)CC3)ccc2C)cc1 ZINC000224312850 568577610 /nfs/dbraw/zinc/57/76/10/568577610.db2.gz UZARYJAEGAMKNS-UHFFFAOYSA-N 0 3 415.559 2.953 40 0 HFABHN CN(C)CCOc1ccc(NC(=O)C2(C)COC(c3ccccc3F)OC2)cn1 ZINC000225920430 568686233 /nfs/dbraw/zinc/68/62/33/568686233.db2.gz CFSSWXZTIHKUAL-UHFFFAOYSA-N 0 3 403.454 2.852 40 0 HFABHN Cc1nccn1[C@@H]1CCCC[C@@H](N(C)C(=O)c2cccc(OCCN(C)C)c2)[C@H]1O ZINC000257225695 568783558 /nfs/dbraw/zinc/78/35/58/568783558.db2.gz FHJDOQHQGSQAGP-YPAWHYETSA-N 0 3 414.550 2.749 40 0 HFABHN CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCCN(CC2(O)CCOCC2)C1 ZINC000257266096 568794496 /nfs/dbraw/zinc/79/44/96/568794496.db2.gz MBNXVEUMZJUYAO-OAHLLOKOSA-N 0 3 403.548 2.719 40 0 HFABHN Cn1cc(-c2cnc3ncn(C4CCN(Cc5ccc6c(c5)OCO6)CC4)c3n2)cn1 ZINC000306128248 568891157 /nfs/dbraw/zinc/89/11/57/568891157.db2.gz GVEWLAKOJIPLCC-UHFFFAOYSA-N 0 3 417.473 2.793 40 0 HFABHN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4ccccc4F)C[C@@H]2C3)cc1 ZINC000306137695 568899533 /nfs/dbraw/zinc/89/95/33/568899533.db2.gz RDEALECEEPJTER-IRXDYDNUSA-N 0 3 421.476 2.982 40 0 HFABHN Cc1ncsc1CN1C[C@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@@H]2C1 ZINC000306140988 568902724 /nfs/dbraw/zinc/90/27/24/568902724.db2.gz VIIWNZRPFCRWKK-KGLIPLIRSA-N 0 3 412.494 2.739 40 0 HFABHN COc1ccccc1CN1C[C@@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@H]2C1 ZINC000306142823 568904562 /nfs/dbraw/zinc/90/45/62/568904562.db2.gz XLDHINRYTJVFGK-DLBZAZTESA-N 0 3 421.476 2.982 40 0 HFABHN O=S(=O)(c1cccc(F)c1)N1CCO[C@@]2(CCCC[C@H]2NCc2cccnc2)C1 ZINC000306143479 568904981 /nfs/dbraw/zinc/90/49/81/568904981.db2.gz YDCVOTFNQCKWLQ-RTWAWAEBSA-N 0 3 419.522 2.713 40 0 HFABHN COc1ccc(CN2CCO[C@@]3(CN(CC4CC4)C[C@H]3c3cccnc3)C2=O)cc1 ZINC000306144271 568905697 /nfs/dbraw/zinc/90/56/97/568905697.db2.gz ZAUYUNSRSGWILJ-LADGPHEKSA-N 0 3 407.514 2.697 40 0 HFABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218660146 568942693 /nfs/dbraw/zinc/94/26/93/568942693.db2.gz IMWMOEVGGCHCBX-LQWHRVPQSA-N 0 3 420.506 2.988 40 0 HFABHN O=C(NCc1ccc(F)cc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008253984 568985494 /nfs/dbraw/zinc/98/54/94/568985494.db2.gz VUFFUXCBNWCDSU-SXLOBPIMSA-N 0 3 420.492 2.506 40 0 biogenic,in-vitro HFABHN CN(C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccccc1 ZINC000004231302 569051775 /nfs/dbraw/zinc/05/17/75/569051775.db2.gz APGXSEZSPUHMSP-UHFFFAOYSA-N 0 3 408.458 2.853 40 0 HFABHN COc1cc(OC)c(NC(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1Cl ZINC000224311710 569057065 /nfs/dbraw/zinc/05/70/65/569057065.db2.gz OSKYBJDFWXWCPQ-UHFFFAOYSA-N 0 3 420.901 2.567 40 0 HFABHN O=C(Nc1cccc(OCCN2CCCCC2)c1)[C@H]1CC[C@H](Cn2cnnn2)CC1 ZINC000524733114 569291778 /nfs/dbraw/zinc/29/17/78/569291778.db2.gz VYGMSMBMGRAYRW-WGSAOQKQSA-N 0 3 412.538 2.983 40 0 HFABHN Cc1ccc([C@H](C)C(=O)N[C@@H](C)C(=O)N2Cc3ccccc3OC[C@H]2CN(C)C)cc1 ZINC000248125906 569316361 /nfs/dbraw/zinc/31/63/61/569316361.db2.gz OSWNHAWWXIFIKW-CNNODRBYSA-N 0 3 423.557 2.955 40 0 HFABHN COc1cccc(CN2CCC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c1 ZINC000012219516 569344738 /nfs/dbraw/zinc/34/47/38/569344738.db2.gz UNELSAQUORBMQU-LJQANCHMSA-N 0 3 407.518 2.956 40 0 HFABHN COc1ccc(CN2CCC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)cc1 ZINC000012219511 569344782 /nfs/dbraw/zinc/34/47/82/569344782.db2.gz MMYJKOGRKBDAMY-IBGZPJMESA-N 0 3 407.518 2.956 40 0 HFABHN O=C(CN1CC[C@@H](c2ccccc2)C1)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019369974 569345481 /nfs/dbraw/zinc/34/54/81/569345481.db2.gz BMZDMHVZCICRRQ-NHCUHLMSSA-N 0 3 420.557 2.775 40 0 HFABHN Cc1nc(C)c(C(=O)N2CCC[C@H]2CN2Cc3ccccc3OC[C@H]2CN(C)C)o1 ZINC000019559320 569345719 /nfs/dbraw/zinc/34/57/19/569345719.db2.gz KEOUUBLMTHJZTJ-VQTJNVASSA-N 0 3 412.534 2.721 40 0 HFABHN CNCc1cc(NC)nc([C@H]2CCCN2Cc2cc3c(cc2OC)OCCCO3)n1 ZINC000019760589 569429588 /nfs/dbraw/zinc/42/95/88/569429588.db2.gz YTGVXMHQFRXLFQ-QGZVFWFLSA-N 0 3 413.522 2.745 40 0 HFABHN O=C1CC[C@@H](NCc2cnc(N3CCCCC3)nc2)[C@H](c2cc(F)cc(F)c2)N1 ZINC000019291886 132466815 /nfs/dbraw/zinc/46/68/15/132466815.db2.gz FMDCBFGZTRQFJK-QUCCMNQESA-N 0 3 401.461 2.855 40 0 HFABHN C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)C1 ZINC000044846233 525382612 /nfs/dbraw/zinc/38/26/12/525382612.db2.gz QEWJJMOPOPYCDC-OKILXGFUSA-N 0 3 401.960 2.809 40 0 HFABHN C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)C1 ZINC000044846233 525382618 /nfs/dbraw/zinc/38/26/18/525382618.db2.gz QEWJJMOPOPYCDC-OKILXGFUSA-N 0 3 401.960 2.809 40 0 HFABHN Cc1nc([C@H]2CCCCN2C(=O)C2CCN(C)CC2)ncc1C(=O)N1CCCCC1 ZINC000019765846 558278093 /nfs/dbraw/zinc/27/80/93/558278093.db2.gz RSIXLUONXHXPKO-HXUWFJFHSA-N 0 3 413.566 2.807 40 0 HFABHN CCOc1nc(C)c(CC(=O)N2CCCC[C@H]2CN2CCCCC2)c(OCC)n1 ZINC000012275444 558363830 /nfs/dbraw/zinc/36/38/30/558363830.db2.gz YFPCLHMSBOURSH-SFHVURJKSA-N 0 3 404.555 2.992 40 0 HFABHN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCN1CCCCCC1)S(C)(=O)=O ZINC000013680332 558566234 /nfs/dbraw/zinc/56/62/34/558566234.db2.gz CECALQSAXQXCLD-INIZCTEOSA-N 0 3 415.987 2.795 40 0 HFABHN CC(=O)Nc1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccc(C)cc34)C2=O)cc1 ZINC000018088251 558830986 /nfs/dbraw/zinc/83/09/86/558830986.db2.gz MZVAEYZIOLYJRB-OAQYLSRUSA-N 0 3 404.470 2.899 40 0 HFABHN O=C(Cc1cccs1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCC2)CC3)C1 ZINC000019343153 558872547 /nfs/dbraw/zinc/87/25/47/558872547.db2.gz LWHHCCGLNYDFID-OAHLLOKOSA-N 0 3 412.559 2.691 40 0 HFABHN O=C(Cc1cccs1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCC2)CC3)C1 ZINC000019343153 558872549 /nfs/dbraw/zinc/87/25/49/558872549.db2.gz LWHHCCGLNYDFID-OAHLLOKOSA-N 0 3 412.559 2.691 40 0 HFABHN CC(C)NC(=O)[C@H]1CN(Cc2cccc(F)c2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019450079 558888701 /nfs/dbraw/zinc/88/87/01/558888701.db2.gz DPDPWFZDPFVFGN-PMACEKPBSA-N 0 3 411.525 2.956 40 0 HFABHN CCN(CC)CC(=O)N1Cc2ccccc2OC2(CCC(N3CCOCC3)CC2)C1 ZINC000019526335 558907624 /nfs/dbraw/zinc/90/76/24/558907624.db2.gz KEKYNWCOWWZCAO-UHFFFAOYSA-N 0 3 415.578 2.763 40 0 HFABHN COc1cc2c(cc1CNCCc1cc(N(C)C)nc(-c3ccccn3)n1)OCCO2 ZINC000019584307 558938282 /nfs/dbraw/zinc/93/82/82/558938282.db2.gz VRRRDBORVALJIA-UHFFFAOYSA-N 0 3 421.501 2.717 40 0 HFABHN COc1cc(CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)ccc1OCC(N)=O ZINC000019658722 558950690 /nfs/dbraw/zinc/95/06/90/558950690.db2.gz RQNZPSPJEZZCJC-INIZCTEOSA-N 0 3 408.502 2.890 40 0 HFABHN CCn1nc([C@@H](C)C(=O)Nc2ccnn2C2CCN(C)CC2)c2ccccc2c1=O ZINC000019660550 558951772 /nfs/dbraw/zinc/95/17/72/558951772.db2.gz RUJIBYDOQNQHFC-OAHLLOKOSA-N 0 3 408.506 2.622 40 0 HFABHN CNC(=O)c1ccc(-c2ccc(C3CCN(C(=O)[C@@H](C)N4CCCC4)CC3)nc2)cn1 ZINC000019689102 558958624 /nfs/dbraw/zinc/95/86/24/558958624.db2.gz XOJQXVJJAOHGEF-QGZVFWFLSA-N 0 3 421.545 2.694 40 0 HFABHN CCN(CC)S(=O)(=O)N1CCC[C@@H](c2cc(Nc3cnccn3)cc(C)n2)C1 ZINC000072374908 558963050 /nfs/dbraw/zinc/96/30/50/558963050.db2.gz OHBFUBPODDRWHA-MRXNPFEDSA-N 0 3 404.540 2.690 40 0 HFABHN COc1ccc(CN2CCC(CNC(=O)c3ccc4c(c3)n(C)c(=O)n4C)CC2)cc1 ZINC000072389588 558970005 /nfs/dbraw/zinc/97/00/05/558970005.db2.gz IWRWVHDHVKGNTG-UHFFFAOYSA-N 0 3 422.529 2.528 40 0 HFABHN CCn1cc(CN2C[C@H](NC(C)=O)[C@@H](c3cn(C)c4ccc(OC)cc34)C2)c(C)n1 ZINC000072395545 558974515 /nfs/dbraw/zinc/97/45/15/558974515.db2.gz RKISNZRLHIWQDO-YADHBBJMSA-N 0 3 409.534 2.816 40 0 HFABHN CCC(=O)N[C@H]1CN(Cc2cnn(C)c2C)C[C@@H]1c1cn(C)c2ccc(OC)cc12 ZINC000072395728 558974734 /nfs/dbraw/zinc/97/47/34/558974734.db2.gz UUWBQIVCXAWAOQ-RTWAWAEBSA-N 0 3 409.534 2.723 40 0 HFABHN O=C(CN1CCOCC1)N1CCC[C@@]2(CCCN2Cc2cc(F)ccc2F)CC1 ZINC000585100384 559024045 /nfs/dbraw/zinc/02/40/45/559024045.db2.gz KRSNAWVJMXZRMB-JOCHJYFZSA-N 0 3 407.505 2.644 40 0 HFABHN Cc1cc(CN2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NCc3cc(F)cc(F)c3)C2)[nH]n1 ZINC000585109171 559030290 /nfs/dbraw/zinc/03/02/90/559030290.db2.gz CHDVPRGLRIXNBM-YSGRDPCXSA-N 0 3 404.461 2.540 40 0 HFABHN Cc1cc(CN2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NCc3cc(F)cc(F)c3)C2)n[nH]1 ZINC000585109171 559030291 /nfs/dbraw/zinc/03/02/91/559030291.db2.gz CHDVPRGLRIXNBM-YSGRDPCXSA-N 0 3 404.461 2.540 40 0 HFABHN CCCN1CCN(C(=O)CN)C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000585183642 559070479 /nfs/dbraw/zinc/07/04/79/559070479.db2.gz XSQFSMUGUXGPCX-LJQANCHMSA-N 0 3 409.530 2.560 40 0 HFABHN CCOC(=O)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccc(OC)cc1)CCC2 ZINC000096056060 559093738 /nfs/dbraw/zinc/09/37/38/559093738.db2.gz BOAOOTGRAUQMIR-CVDCTZTESA-N 0 3 410.518 2.767 40 0 HFABHN CN(C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)c3cccn3C)CC2)c2ccccc21 ZINC000096079497 559094733 /nfs/dbraw/zinc/09/47/33/559094733.db2.gz DSTAYZFUVFRKGA-IBGZPJMESA-N 0 3 422.573 2.754 40 0 HFABHN O=C(c1cccc(Cl)c1)N1CCC2(CC1)NC(=O)[C@H]1CN(Cc3cccnc3)C[C@H]12 ZINC000096143527 559096022 /nfs/dbraw/zinc/09/60/22/559096022.db2.gz YEOBKKCNVFSGFW-VQTJNVASSA-N 0 3 424.932 2.588 40 0 HFABHN CN(C)[C@@H]1CCN(C(=O)c2cc(-c3cnc(N4CCCC4)nc3)cn2CC2CC2)C1 ZINC000096147686 559098652 /nfs/dbraw/zinc/09/86/52/559098652.db2.gz GWPLMDKENZFCGB-HXUWFJFHSA-N 0 3 408.550 2.731 40 0 HFABHN CN(C)S(=O)(=O)N1CCC2(CC1)CN(Cc1cccs1)Cc1ccccc12 ZINC000096242497 559104078 /nfs/dbraw/zinc/10/40/78/559104078.db2.gz FXDZPVGEYRZZAV-UHFFFAOYSA-N 0 3 405.589 2.904 40 0 HFABHN CCOCCOc1ccc(CN(C)C[C@@]2(O)CCN(c3ccc(F)cn3)C2)cc1 ZINC000585269692 559116039 /nfs/dbraw/zinc/11/60/39/559116039.db2.gz HWZMNVLVSHDNMP-QFIPXVFZSA-N 0 3 403.498 2.709 40 0 HFABHN COCC(=O)N1CCN(C2CCC(C)(C)CC2)C[C@](O)(COc2cccc(F)c2)C1 ZINC000585281979 559119733 /nfs/dbraw/zinc/11/97/33/559119733.db2.gz DLZXLKNSIPHYBC-HSZRJFAPSA-N 0 3 422.541 2.695 40 0 HFABHN COCC(=O)N1CCN(C2CCCCCC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282698 559120218 /nfs/dbraw/zinc/12/02/18/559120218.db2.gz NACRVPLXGFPNKQ-XMMPIXPASA-N 0 3 418.578 2.927 40 0 HFABHN CC(=O)OCC1(CC(=O)N2CCOCC2)CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000585294154 559127024 /nfs/dbraw/zinc/12/70/24/559127024.db2.gz RLEMLMWNMBXXND-UHFFFAOYSA-N 0 3 413.518 2.562 40 0 HFABHN CN1CCN([C@H]2CC[C@](CNC(=O)C3CCCC3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257273221 559285221 /nfs/dbraw/zinc/28/52/21/559285221.db2.gz NFSUMQJDLNLAHY-LSQMVHIFSA-N 0 3 413.606 2.782 40 0 HFABHN O[C@@]1(CN2CCN(c3ccccc3)CC2)CCN(Cc2ccc(OCCF)cc2)C1 ZINC000257310764 559286175 /nfs/dbraw/zinc/28/61/75/559286175.db2.gz UGLFTBVNKQKYPE-XMMPIXPASA-N 0 3 413.537 2.794 40 0 HFABHN Cc1cc(C)c2cc(CN(CCN(C)C)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1 ZINC000004133528 560600668 /nfs/dbraw/zinc/60/06/68/560600668.db2.gz MHJGWLLQMSDNJY-SFHVURJKSA-N 0 3 416.591 2.562 40 0 HFABHN CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C ZINC000057773602 568497672 /nfs/dbraw/zinc/49/76/72/568497672.db2.gz PHWFXJBBPYKLBM-VXKWHMMOSA-N 0 3 423.557 2.865 40 0 HFABHN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 ZINC000223642915 568554602 /nfs/dbraw/zinc/55/46/02/568554602.db2.gz JXKGTQCIMWXDHI-UXHICEINSA-N 0 3 407.499 2.803 40 0 HFABHN Cc1nc([C@H]2CCN(Cc3ccc4c(c3)OCCO4)C2)nc(C)c1CC(=O)NC(C)C ZINC000257225831 568783779 /nfs/dbraw/zinc/78/37/79/568783779.db2.gz FIBLLUPFSPZSIE-IBGZPJMESA-N 0 3 424.545 2.921 40 0 HFABHN CCN(CC)S(=O)(=O)N1CCC(c2cc(Nc3cnccn3)cc(C)n2)CC1 ZINC000257241831 568788063 /nfs/dbraw/zinc/78/80/63/568788063.db2.gz HZTZSROXELXXLI-UHFFFAOYSA-N 0 3 404.540 2.690 40 0 HFABHN CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCCN(CC2(O)CCOCC2)C1 ZINC000257266095 568794477 /nfs/dbraw/zinc/79/44/77/568794477.db2.gz MBNXVEUMZJUYAO-HNNXBMFYSA-N 0 3 403.548 2.719 40 0 HFABHN COc1cc2c(cc1CN1CCC[C@H](c3n[nH]cc3C(=O)N3CCOCC3)C1)CCC2 ZINC000257293817 568802731 /nfs/dbraw/zinc/80/27/31/568802731.db2.gz QRHIYUWBWZWYHJ-IBGZPJMESA-N 0 3 424.545 2.759 40 0 HFABHN NC[C@@]1(N)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218239543 568836766 /nfs/dbraw/zinc/83/67/66/568836766.db2.gz YQGKHYDGFHBWRW-OWCLPIDISA-N 0 3 415.740 2.698 40 0 HFABHN CN1C[C@@H](C(=O)NCc2cccs2)OC2(CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000306123067 568886353 /nfs/dbraw/zinc/88/63/53/568886353.db2.gz ADUREHQGFKRQPF-FQEVSTJZSA-N 0 3 417.550 2.869 40 0 HFABHN COc1ccccc1CN1C[C@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@@H]2C1 ZINC000306126705 568889610 /nfs/dbraw/zinc/88/96/10/568889610.db2.gz FCTAFGHCCDETEJ-UXHICEINSA-N 0 3 417.513 2.521 40 0 HFABHN CN1CC2(CCN(Cc3ccccc3F)CC2)n2cncc2[C@@H]1C(=O)NC1CCC1 ZINC000306129050 568891632 /nfs/dbraw/zinc/89/16/32/568891632.db2.gz HSOSNNARVGWSMU-OAQYLSRUSA-N 0 3 411.525 2.669 40 0 HFABHN CN1C[C@H](C(=O)NCc2cccs2)OC2(CCN(Cc3cccc(F)c3)CC2)C1 ZINC000306129591 568892085 /nfs/dbraw/zinc/89/20/85/568892085.db2.gz IHQJFZLVBUXROI-HXUWFJFHSA-N 0 3 417.550 2.869 40 0 HFABHN Cn1nccc1[C@@H]1CN(Cc2nccs2)C[C@]12CCCN(Cc1ccncc1)C2=O ZINC000306138527 568900473 /nfs/dbraw/zinc/90/04/73/568900473.db2.gz RZTSBTDMWXUTBB-PGRDOPGGSA-N 0 3 422.558 2.680 40 0 HFABHN CC(C)(C)CNC(=O)c1[nH]nc2c1COC[C@]21CCN(Cc2ccc(F)cc2)C1 ZINC000306143941 568905087 /nfs/dbraw/zinc/90/50/87/568905087.db2.gz YRISHPHMVOMOGJ-JOCHJYFZSA-N 0 3 400.498 2.999 40 0 HFABHN COc1ccc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(CC2CC2)C3=O)cc1 ZINC000306144174 568905601 /nfs/dbraw/zinc/90/56/01/568905601.db2.gz YXZUJLWGJQNHFF-VWNXMTODSA-N 0 3 407.514 2.697 40 0 HFABHN CCOC(=O)[C@@]1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218655170 568908650 /nfs/dbraw/zinc/90/86/50/568908650.db2.gz VYIBRQWTSZPVGD-AOIWGVFYSA-N 0 3 411.882 2.927 40 0 HFABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218660208 568942808 /nfs/dbraw/zinc/94/28/08/568942808.db2.gz IMWMOEVGGCHCBX-LVCYWYKZSA-N 0 3 420.506 2.988 40 0 HFABHN CN(C)CCNc1nc(Nc2ccc(Br)cc2F)cc(C(F)(F)F)n1 ZINC000329017444 568972931 /nfs/dbraw/zinc/97/29/31/568972931.db2.gz NMCZWLHKQVLLQE-UHFFFAOYSA-N 0 3 422.224 2.958 40 0 HFABHN Cc1nc(C)c(C(=O)N2CCC[C@@H]2CN2Cc3ccccc3OC[C@H]2CN(C)C)o1 ZINC000248111237 569316223 /nfs/dbraw/zinc/31/62/23/569316223.db2.gz KEOUUBLMTHJZTJ-WOJBJXKFSA-N 0 3 412.534 2.721 40 0 HFABHN NC[C@@]1(N)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 ZINC000252516996 569388104 /nfs/dbraw/zinc/38/81/04/569388104.db2.gz YQGKHYDGFHBWRW-OAGGEKHMSA-N 0 3 415.740 2.698 40 0 HFABHN CN1CCN(Cc2nc(C3(O)CCN(C4CCC(F)(F)CC4)CC3)cs2)CC1 ZINC000225424990 291220736 /nfs/dbraw/zinc/22/07/36/291220736.db2.gz GQISAKMIHTXPCC-UHFFFAOYSA-N 0 3 414.566 2.752 40 0 biogenic,in-vitro HFABHN Nc1cccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)NC3CCCCC3)nn2)c1 ZINC000008254444 291227503 /nfs/dbraw/zinc/22/75/03/291227503.db2.gz RWWZVIDGDOHDGO-DQLDELGASA-N 0 3 408.550 2.687 40 0 biogenic,in-vitro HFABHN OC1(c2csc(CN3CCN(c4ccccn4)CC3)n2)CCN(C2CCC2)CC1 ZINC000225476815 291230324 /nfs/dbraw/zinc/23/03/24/291230324.db2.gz ARSJNVDBYYOMEH-UHFFFAOYSA-N 0 3 413.591 2.696 40 0 biogenic,in-vitro HFABHN CS(=O)(=O)N1CCCc2cc([C@H](O)CN3CCC(c4ccncc4)CC3)ccc21 ZINC000012291478 132357993 /nfs/dbraw/zinc/35/79/93/132357993.db2.gz UAKAUIYEYVGLEP-JOCHJYFZSA-N 0 3 415.559 2.707 40 0 HFABHN CC(C)n1c2ccc(S(=O)(=O)N3CCC[C@@H](CN4CCCC4)C3)cc2oc1=O ZINC000012220615 558355682 /nfs/dbraw/zinc/35/56/82/558355682.db2.gz LETSSVBAIUARKK-INIZCTEOSA-N 0 3 407.536 2.672 40 0 HFABHN CCOc1ccc(Br)cc1CNCCc1ccc(S(N)(=O)=O)cc1 ZINC000022074619 558462391 /nfs/dbraw/zinc/46/23/91/558462391.db2.gz SZKAKVRRNZZSKB-UHFFFAOYSA-N 0 3 413.337 2.828 40 0 HFABHN COc1cc(C)c(CN2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)cc1C ZINC000019567390 558926851 /nfs/dbraw/zinc/92/68/51/558926851.db2.gz VAEDQOSKALUFCO-XKDCRVNJSA-N 0 3 413.518 2.849 40 0 HFABHN CCCO[C@@H]1CCCN(c2nc(C3CCN(C)CC3)nc3c2CN(C(C)=O)CC3)C1 ZINC000019710497 558972678 /nfs/dbraw/zinc/97/26/78/558972678.db2.gz KSLCRDDJGUAOOJ-LJQANCHMSA-N 0 3 415.582 2.586 40 0 HFABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)CCc1ccc(OC)cc1)C2 ZINC000019710675 558972967 /nfs/dbraw/zinc/97/29/67/558972967.db2.gz LEPUBIRREXKVIT-UHFFFAOYSA-N 0 3 423.561 2.854 40 0 HFABHN C/C=C/C(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C ZINC000072394978 558973769 /nfs/dbraw/zinc/97/37/69/558973769.db2.gz KJUIWUVGRYUJJQ-QEFCJMDMSA-N 0 3 421.541 2.641 40 0 HFABHN C/C=C/C(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C ZINC000072394976 558973800 /nfs/dbraw/zinc/97/38/00/558973800.db2.gz KJUIWUVGRYUJJQ-DQHUOFNISA-N 0 3 421.541 2.641 40 0 HFABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@H](C[N@@H+](C)[C@H]4CC[C@H](O)CC4)C3)CC2)c1 ZINC000585104869 559027309 /nfs/dbraw/zinc/02/73/09/559027309.db2.gz UVYHPQAAEIKNSN-UFYCRDLUSA-N 0 3 416.562 2.947 40 0 HFABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@H](C[N@H+](C)[C@H]4CC[C@H](O)CC4)C3)CC2)c1 ZINC000585104869 559027311 /nfs/dbraw/zinc/02/73/11/559027311.db2.gz UVYHPQAAEIKNSN-UFYCRDLUSA-N 0 3 416.562 2.947 40 0 HFABHN CN(C)CCN1CCOCC12CCN(C(=O)c1ccc(-c3ccncc3)cc1)CC2 ZINC000096226185 559102613 /nfs/dbraw/zinc/10/26/13/559102613.db2.gz LJMLFGKIMVVTQT-UHFFFAOYSA-N 0 3 408.546 2.617 40 0 HFABHN CCOCCOc1ccc(CN(C)C[C@]2(O)CCN(c3ccc(F)cn3)C2)cc1 ZINC000585269691 559116020 /nfs/dbraw/zinc/11/60/20/559116020.db2.gz HWZMNVLVSHDNMP-JOCHJYFZSA-N 0 3 403.498 2.709 40 0 HFABHN Cc1cccc(OC[C@]2(O)COCCN(Cc3ccc(OCCN(C)C)cc3)C2)c1 ZINC000585274143 559118478 /nfs/dbraw/zinc/11/84/78/559118478.db2.gz WRQBRALASULZHW-XMMPIXPASA-N 0 3 414.546 2.578 40 0 HFABHN COC1(COc2ccc(C)cc2C)CCN(C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000585281910 559119556 /nfs/dbraw/zinc/11/95/56/559119556.db2.gz SZILPFXGVKNGOW-UHFFFAOYSA-N 0 3 410.580 2.587 40 0 HFABHN CCN1CC[C@]2(CN(c3ncccn3)CC23CCN(Cc2cccs2)CC3)C1=O ZINC000097952887 559125054 /nfs/dbraw/zinc/12/50/54/559125054.db2.gz YUOPLDMCIKVXRD-QFIPXVFZSA-N 0 3 411.575 2.879 40 0 HFABHN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2N2CCNCC2)cc1 ZINC000072216380 559169563 /nfs/dbraw/zinc/16/95/63/559169563.db2.gz TZFUQISIEZTIAW-HXUWFJFHSA-N 0 3 400.548 2.716 40 0 HFABHN CN(Cc1ccc(OCc2ccccn2)cc1)C[C@@]1(O)CCCN(c2cnccn2)C1 ZINC000257241903 559284226 /nfs/dbraw/zinc/28/42/26/559284226.db2.gz IAEBQSOXVVMAHC-DEOSSOPVSA-N 0 3 419.529 2.914 40 0 HFABHN CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NC[C@@H]3CCCO3)cc2c1 ZINC000004133438 560600502 /nfs/dbraw/zinc/60/05/02/560600502.db2.gz GZCVIARPURTWHW-IBGZPJMESA-N 0 3 416.591 2.508 40 0 HFABHN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NC1CCN(C)CC1 ZINC000219478860 568493376 /nfs/dbraw/zinc/49/33/76/568493376.db2.gz YUVCBCRPKBFYIQ-UHFFFAOYSA-N 0 3 413.543 2.635 40 0 HFABHN CC[C@@H](C(=O)NC1CCN(C)CC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000220689793 568508504 /nfs/dbraw/zinc/50/85/04/568508504.db2.gz RCGRNZIGRWYPSQ-HNNXBMFYSA-N 0 3 422.378 2.748 40 0 HFABHN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 ZINC000223680384 568555958 /nfs/dbraw/zinc/55/59/58/568555958.db2.gz ZBSBRMHKPKLPKJ-WOJBJXKFSA-N 0 3 407.499 2.803 40 0 HFABHN Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)NCCN(C)C)c2)cc1 ZINC000224343255 568578514 /nfs/dbraw/zinc/57/85/14/568578514.db2.gz LZJHMBILZDUCNJ-UHFFFAOYSA-N 0 3 409.939 2.765 40 0 HFABHN CCCN1CCN(C(=O)C(C)(C)N)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257231592 568785387 /nfs/dbraw/zinc/78/53/87/568785387.db2.gz GHKFVWVHZINEHF-HXUWFJFHSA-N 0 3 408.546 2.725 40 0 HFABHN C[N@H+]1[C@@H]2CCCC[C@@H]3N(C(=O)c4cc(=O)[n-]c(N)n4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257266581 568794611 /nfs/dbraw/zinc/79/46/11/568794611.db2.gz MDPXJULDCRHYHU-BPJSAFFHSA-N 0 3 421.545 2.853 40 0 HFABHN C[N@@H+]1[C@@H]2CCCC[C@@H]3N(C(=O)c4cc(=O)[n-]c(N)n4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257266581 568794613 /nfs/dbraw/zinc/79/46/13/568794613.db2.gz MDPXJULDCRHYHU-BPJSAFFHSA-N 0 3 421.545 2.853 40 0 HFABHN CN(C)CCOc1ccc(C(=O)N2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)cc1 ZINC000257286929 568800661 /nfs/dbraw/zinc/80/06/61/568800661.db2.gz PNRXMQRDLVERNM-GMAHTHKFSA-N 0 3 416.493 2.811 40 0 HFABHN CC(C)n1cc(CN2C[C@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)cn1 ZINC000306123202 568886417 /nfs/dbraw/zinc/88/64/17/568886417.db2.gz AHEYWKHEKRHMJC-SJORKVTESA-N 0 3 423.496 2.751 40 0 HFABHN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4ccccc4F)C[C@H]2C3)cc1 ZINC000306137694 568899577 /nfs/dbraw/zinc/89/95/77/568899577.db2.gz RDEALECEEPJTER-IAGOWNOFSA-N 0 3 421.476 2.982 40 0 HFABHN CCOC(=O)[C@H]1CC(=O)N(c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 ZINC000072228535 568919818 /nfs/dbraw/zinc/91/98/18/568919818.db2.gz YVKRDWLCDHDXAX-FQEVSTJZSA-N 0 3 407.514 2.925 40 0 HFABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Br)cc3)C2(CN)CN)cc1 ZINC000218227306 568928378 /nfs/dbraw/zinc/92/83/78/568928378.db2.gz ONIUQALVLXKTAU-DLBZAZTESA-N 0 3 409.349 2.601 40 0 HFABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242522224 568963431 /nfs/dbraw/zinc/96/34/31/568963431.db2.gz IMWMOEVGGCHCBX-WAOWUJCRSA-N 0 3 420.506 2.988 40 0 HFABHN CN(C)CCNc1nc(Nc2ccccc2OC(F)(F)F)cc(-c2cccnc2)n1 ZINC000329051902 568974640 /nfs/dbraw/zinc/97/46/40/568974640.db2.gz UYTDMYNMAAHYGZ-UHFFFAOYSA-N 0 3 418.423 2.998 40 0 HFABHN CCN1CCc2nc(-c3ccccc3)n(CC(=O)N(C)c3ccccc3)c(=O)c2C1 ZINC000049400666 569048379 /nfs/dbraw/zinc/04/83/79/569048379.db2.gz OIFDECAMVAMMDB-UHFFFAOYSA-N 0 3 402.498 2.951 40 0 HFABHN C[C@H]1Oc2ccccc2O[C@H]1CN1CCC2(CC1)C(=O)N(C)CN2c1ccccc1 ZINC000095869981 569069865 /nfs/dbraw/zinc/06/98/65/569069865.db2.gz XCURAXQEILSZCX-GCJKJVERSA-N 0 3 407.514 2.986 40 0 HFABHN COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCCN(Cc3cnn(C)c3C)C1)O2 ZINC000012235397 569344810 /nfs/dbraw/zinc/34/48/10/569344810.db2.gz GKCXMOHFFZFBDD-FDDCHVKYSA-N 0 3 412.534 2.759 40 0 HFABHN CNc1nc([C@H]2CCCN2)nc2c1CCN(C(=O)C(C)(C)c1ccc(OC)cc1)C2 ZINC000019707129 569428877 /nfs/dbraw/zinc/42/88/77/569428877.db2.gz DSDHGCCGJJOUHZ-GOSISDBHSA-N 0 3 409.534 2.814 40 0 HFABHN CC(C)(C)c1n[nH]cc1CN1CC[C@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 ZINC000019761931 519089156 /nfs/dbraw/zinc/08/91/56/519089156.db2.gz VFBRTXYPWAMCST-INIZCTEOSA-N 0 3 421.545 2.967 40 0 HFABHN CN1CN(c2ccccc2)C2(CCN(CC[C@@H]3COc4ccccc4O3)CC2)C1=O ZINC000001640543 557278300 /nfs/dbraw/zinc/27/83/00/557278300.db2.gz VTJGTOAUDCODNK-HXUWFJFHSA-N 0 3 407.514 2.987 40 0 HFABHN Cc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2ccc(C)c(Cl)c2)cc1 ZINC000010111548 557855354 /nfs/dbraw/zinc/85/53/54/557855354.db2.gz MADCVUZJVOVEGW-UHFFFAOYSA-N 0 3 423.966 2.830 40 0 HFABHN O=C(Cn1cc(C(=O)Nc2ccccc2CN2CCCC2)ccc1=O)N1CCCCC1 ZINC000019751212 558271316 /nfs/dbraw/zinc/27/13/16/558271316.db2.gz CKAWPPNPNGAQQG-UHFFFAOYSA-N 0 3 422.529 2.709 40 0 HFABHN C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)C1 ZINC000020481522 558375261 /nfs/dbraw/zinc/37/52/61/558375261.db2.gz BMNUAUGFGWLMEO-OKILXGFUSA-N 0 3 401.960 2.809 40 0 HFABHN C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)C1 ZINC000020481522 558375262 /nfs/dbraw/zinc/37/52/62/558375262.db2.gz BMNUAUGFGWLMEO-OKILXGFUSA-N 0 3 401.960 2.809 40 0 HFABHN Cc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2ccc(Cl)cc2C)cc1 ZINC000013669459 558561092 /nfs/dbraw/zinc/56/10/92/558561092.db2.gz RGURONCSENDUQT-UHFFFAOYSA-N 0 3 423.966 2.830 40 0 HFABHN COc1ccc(C)cc1CN1C[C@H](C(=O)N(C)C)[C@@]2(C1)CCc1ccccc1C(=O)N2 ZINC000036748709 558802554 /nfs/dbraw/zinc/80/25/54/558802554.db2.gz RNBMAWZXLBZPRO-BWKNWUBXSA-N 0 3 421.541 2.639 40 0 HFABHN Cc1ccsc1C[N@@H+]1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(C(=O)C2CC2)CC3)C1 ZINC000019238637 558857451 /nfs/dbraw/zinc/85/74/51/558857451.db2.gz KTHWPCFVRVWUAJ-MRXNPFEDSA-N 0 3 412.559 2.814 40 0 HFABHN Cc1ccsc1C[N@H+]1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(C(=O)C2CC2)CC3)C1 ZINC000019238637 558857453 /nfs/dbraw/zinc/85/74/53/558857453.db2.gz KTHWPCFVRVWUAJ-MRXNPFEDSA-N 0 3 412.559 2.814 40 0 HFABHN O=C(c1ccccc1)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)N1CCC(CO)CC1 ZINC000019372446 558879642 /nfs/dbraw/zinc/87/96/42/558879642.db2.gz YTBHFNLBCZHDOF-GOTSBHOMSA-N 0 3 406.526 2.848 40 0 HFABHN Cc1nc(C)c(C(=O)N2CCC[C@H]2CN2Cc3ccccc3OC[C@@H]2CN(C)C)o1 ZINC000019559323 558920779 /nfs/dbraw/zinc/92/07/79/558920779.db2.gz KEOUUBLMTHJZTJ-PMACEKPBSA-N 0 3 412.534 2.721 40 0 HFABHN CN1CCCN(CC(=O)N2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000019589194 558940097 /nfs/dbraw/zinc/94/00/97/558940097.db2.gz YTARLUKJJSLIMG-MSOLQXFVSA-N 0 3 419.982 2.539 40 0 HFABHN COC[C@@H]1CN(CCc2ccccc2)CCN(C(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000072354512 558951857 /nfs/dbraw/zinc/95/18/57/558951857.db2.gz SMYJZHHLGHCGQF-OAQYLSRUSA-N 0 3 409.530 2.908 40 0 HFABHN CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)C1 ZINC000072394768 558973874 /nfs/dbraw/zinc/97/38/74/558973874.db2.gz RICIDVOPHLKHEU-WIOPSUGQSA-N 0 3 421.541 2.749 40 0 HFABHN C[C@H]1CCCCN1Cc1cccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)c1 ZINC000019716249 558977871 /nfs/dbraw/zinc/97/78/71/558977871.db2.gz QBIJCTVNQBTOJG-INIZCTEOSA-N 0 3 408.506 2.533 40 0 HFABHN COc1cccc2cc(C(=O)N3CCC[C@@]4(CCCN4CC(=O)N(C)C)CC3)oc21 ZINC000585100528 559024009 /nfs/dbraw/zinc/02/40/09/559024009.db2.gz MHKVWVXQUFRLCM-HSZRJFAPSA-N 0 3 413.518 2.990 40 0 HFABHN Cc1cncc(CN2C[C@H](C(=O)N3CCCC(F)(F)CC3)C3(C2)CCOCC3)n1 ZINC000585101840 559024904 /nfs/dbraw/zinc/02/49/04/559024904.db2.gz GJNYVLHDCIKROO-GOSISDBHSA-N 0 3 408.493 2.661 40 0 HFABHN CN1CCC(CN2CC[C@]3(CCCN(C(=O)Cc4cccc(F)c4F)C3)C2=O)CC1 ZINC000585101013 559025640 /nfs/dbraw/zinc/02/56/40/559025640.db2.gz UKRIRJLQOPELTO-QHCPKHFHSA-N 0 3 419.516 2.690 40 0 HFABHN O=C(Cc1cn[nH]c1)NC1CC2(C1)CCN(Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000585102684 559026239 /nfs/dbraw/zinc/02/62/39/559026239.db2.gz AVAUIQDMXUSVCQ-UHFFFAOYSA-N 0 3 404.518 2.903 40 0 HFABHN COc1ccc(CN2CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC2)cc1 ZINC000096038298 559091939 /nfs/dbraw/zinc/09/19/39/559091939.db2.gz JREMXLLYYKLVCR-UHFFFAOYSA-N 0 3 407.518 2.954 40 0 HFABHN O=C(NCC1CC1)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccsc1)CCC2 ZINC000096056142 559093871 /nfs/dbraw/zinc/09/38/71/559093871.db2.gz ODLKFAAHVLJWDS-UGKGYDQZSA-N 0 3 411.575 2.783 40 0 HFABHN O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(CNCc2ccc(Cl)cc2)[C@@H](O)C1 ZINC000585286339 559121954 /nfs/dbraw/zinc/12/19/54/559121954.db2.gz QCMPPGMEFBAYHS-FPOVZHCZSA-N 0 3 423.340 2.650 40 0 HFABHN CN(Cc1ccc(OCCO)cc1)C[C@@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000257281816 559285277 /nfs/dbraw/zinc/28/52/77/559285277.db2.gz ORCUFQJPQVXPEA-MRXNPFEDSA-N 0 3 423.435 2.919 40 0 HFABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242473209 568598820 /nfs/dbraw/zinc/59/88/20/568598820.db2.gz FBULYROZECUSEK-NLWGTHIKSA-N 0 3 423.918 2.797 40 0 HFABHN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000225424836 568636889 /nfs/dbraw/zinc/63/68/89/568636889.db2.gz CCJOTSBIKZHICP-UHFFFAOYSA-N 0 3 417.531 2.662 40 0 HFABHN Cc1nc([C@@H]2CCCN(Cc3ccccc3)C2)nc(C)c1CC(=O)N1CCOCC1 ZINC000257213878 568780165 /nfs/dbraw/zinc/78/01/65/568780165.db2.gz CJKZPKYOIVNJLY-OAQYLSRUSA-N 0 3 408.546 2.874 40 0 HFABHN CN1CCC(Cc2cccc(F)c2)(C(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)CC1 ZINC000257221443 568782527 /nfs/dbraw/zinc/78/25/27/568782527.db2.gz DPBDNJSVPUOHKY-SFTDATJTSA-N 0 3 414.525 2.501 40 0 HFABHN Cc1cc(C(=O)N2CCN(C)[C@H](c3ccccc3)C2)nc(C2(C)CCN(C)CC2)n1 ZINC000257246980 568789557 /nfs/dbraw/zinc/78/95/57/568789557.db2.gz IWUUSKOMUAYARL-NRFANRHFSA-N 0 3 407.562 2.897 40 0 HFABHN Nc1nc2c(c(N)n1)C[C@@]1(CCCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC1)O2 ZINC000257255276 568791655 /nfs/dbraw/zinc/79/16/55/568791655.db2.gz KGWCMEGBUYDLFV-NRFANRHFSA-N 0 3 409.469 2.530 40 0 HFABHN Cc1nccn1[C@@H]1CCCC[C@@H](N(C)C(=O)c2ccc(OCCN(C)C)cc2)[C@H]1O ZINC000257263246 568793721 /nfs/dbraw/zinc/79/37/21/568793721.db2.gz LPAAKKYIPNAGEI-YPAWHYETSA-N 0 3 414.550 2.749 40 0 HFABHN Cc1c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N(C)C3)sc2ncn(C)c(=O)c12 ZINC000257313806 568808285 /nfs/dbraw/zinc/80/82/85/568808285.db2.gz UUFKCAQJQJUHIF-TYTKBFJVSA-N 0 3 400.548 2.781 40 0 HFABHN Cc1cc(Nc2cc(C[C@H]3CCCN(C(=O)C4CCN(C)CC4)C3)nc(C)n2)n[nH]1 ZINC000257333566 568814234 /nfs/dbraw/zinc/81/42/34/568814234.db2.gz YCCSFRDPZOUMMN-QGZVFWFLSA-N 0 3 411.554 2.683 40 0 HFABHN CN(Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)Cc2ccc(CO)cc2)CC1 ZINC000257340834 568816178 /nfs/dbraw/zinc/81/61/78/568816178.db2.gz ZHRNWACTMGBFDZ-XMMPIXPASA-N 0 3 414.521 2.736 40 0 HFABHN CC1(C)[C@@H]2C[C@H]1C(CN1CCOC[C@]3(CC[C@H](CNC(=O)c4ccno4)O3)C1)=CC2 ZINC000306127061 568890110 /nfs/dbraw/zinc/89/01/10/568890110.db2.gz FNJUUDAJXICDDX-YWNPBTLJSA-N 0 3 415.534 2.647 40 0 HFABHN CC[C@@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3cccs3)CC1)COC2 ZINC000306135062 568897032 /nfs/dbraw/zinc/89/70/32/568897032.db2.gz OGKIYYMEVSRQEV-OAHLLOKOSA-N 0 3 403.552 2.681 40 0 HFABHN O=C(NCc1ccncc1)c1nnc2n1CC1(C2)CCN(Cc2cccc(F)c2)CC1 ZINC000306135313 568897218 /nfs/dbraw/zinc/89/72/18/568897218.db2.gz ONIZXYUERWIWMY-UHFFFAOYSA-N 0 3 420.492 2.581 40 0 HFABHN Cc1ccc(CN2C[C@@H]3CCn4c(C(=O)NCc5ccc(F)cc5)nnc4[C@@H]3C2)o1 ZINC000306138961 568900951 /nfs/dbraw/zinc/90/09/51/568900951.db2.gz SLTKCMBPEBTNIK-QFBILLFUSA-N 0 3 409.465 2.868 40 0 HFABHN O=C1N(Cc2cccnc2)CCO[C@@]12CN(Cc1ccsc1)C[C@@H]2c1cccnc1 ZINC000306145159 568906478 /nfs/dbraw/zinc/90/64/78/568906478.db2.gz ZZUNTUDDSAEDDY-FYYLOGMGSA-N 0 3 420.538 2.935 40 0 HFABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218036980 568924570 /nfs/dbraw/zinc/92/45/70/568924570.db2.gz CYPPSCAOSORZEQ-LQWHRVPQSA-N 0 3 402.516 2.849 40 0 HFABHN CCOC(=O)C1C(CNCc2ccc(C)cc2)=NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000054979069 569375543 /nfs/dbraw/zinc/37/55/43/569375543.db2.gz GILMSJQKSVCVIP-OAQYLSRUSA-N 0 3 423.469 2.685 40 0 HFABHN CCN(C(=O)CN1CCC[C@@H]1c1nc(CNC)cc(N(C)C)n1)c1cccc(C)c1 ZINC000019760787 569429696 /nfs/dbraw/zinc/42/96/96/569429696.db2.gz OPOQBZMGSFEROD-HXUWFJFHSA-N 0 3 410.566 2.760 40 0 HFABHN CC(C)CNC(=S)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccco2)nn1C ZINC000008635411 291217190 /nfs/dbraw/zinc/21/71/90/291217190.db2.gz QYWZDEGPFPCLRO-BBWFWOEESA-N 0 3 401.580 2.978 40 0 biogenic,in-vitro HFABHN COc1ccc(CN2CCC(CNC(=O)[C@@H]3CCCN(c4ncccn4)C3)CC2)cc1 ZINC000012184094 132356218 /nfs/dbraw/zinc/35/62/18/132356218.db2.gz VNQCYEOKYUOMKX-OAQYLSRUSA-N 0 3 423.561 2.730 40 0 HFABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@@H]1c1cccc(C)c1 ZINC000020801402 132471148 /nfs/dbraw/zinc/47/11/48/132471148.db2.gz OHRMUNGSBUFMIO-NHCUHLMSSA-N 0 3 420.513 2.523 40 0 HFABHN CN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H]1CCCCN12 ZINC000100202079 557267616 /nfs/dbraw/zinc/26/76/16/557267616.db2.gz INAWKYYRGFLTDR-FIXDAVPBSA-N 0 3 401.466 2.532 40 0 HFABHN Cn1cc(C(=O)NCc2ccccn2)c(CC2CCN(Cc3cccnc3)CC2)n1 ZINC000019758964 558275357 /nfs/dbraw/zinc/27/53/57/558275357.db2.gz KGEFUKVDDHSGAH-UHFFFAOYSA-N 0 3 404.518 2.595 40 0 HFABHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc2c(c1)OCO2 ZINC000019819061 558289107 /nfs/dbraw/zinc/28/91/07/558289107.db2.gz YCVQFSFFXJEZFE-MRXNPFEDSA-N 0 3 408.410 2.854 40 0 HFABHN COc1ccc2c(c1)C(=O)N[C@]1(CN(Cc3cccc(C)c3)C[C@@H]1C(=O)N(C)C)CC2 ZINC000012125736 558331363 /nfs/dbraw/zinc/33/13/63/558331363.db2.gz URFCNUGLWRZGEP-RDGATRHJSA-N 0 3 421.541 2.639 40 0 HFABHN CC1(C)CCCN(CC(=O)N2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000012220943 558355944 /nfs/dbraw/zinc/35/59/44/558355944.db2.gz DZWWXDURLGAAIT-SFHVURJKSA-N 0 3 400.567 2.798 40 0 HFABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(OCC)cc1 ZINC000020636806 558396159 /nfs/dbraw/zinc/39/61/59/558396159.db2.gz XFWNWTMHNMWJBT-SFTDATJTSA-N 0 3 421.497 2.850 40 0 HFABHN Cc1cccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000013671137 558562349 /nfs/dbraw/zinc/56/23/49/558562349.db2.gz FHRUCGIKEXIRRN-UHFFFAOYSA-N 0 3 409.939 2.522 40 0 HFABHN CC[C@@H](C(=O)NCCN1CCCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712887 558577192 /nfs/dbraw/zinc/57/71/92/558577192.db2.gz MWZGELWFPOPHPV-SFHVURJKSA-N 0 3 415.987 2.877 40 0 HFABHN CC[C@H](C(=O)NCCN1CCCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013715030 558578591 /nfs/dbraw/zinc/57/85/91/558578591.db2.gz ZZZWHRPDSRHTGV-GOSISDBHSA-N 0 3 415.987 2.877 40 0 HFABHN Cc1cccc([C@@H]2CN(Cc3ccc(OCCO)cc3)C[C@]23CCCCC(=O)N3)n1 ZINC000019236385 558855572 /nfs/dbraw/zinc/85/55/72/558855572.db2.gz IVCSEYBEARXJIN-XUZZJYLKSA-N 0 3 409.530 2.790 40 0 HFABHN O=C(CN1CCC[C@H]2CCCC[C@@H]21)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019292010 558864333 /nfs/dbraw/zinc/86/43/33/558864333.db2.gz DKMFOTAVDJZKEB-SBHAEUEKSA-N 0 3 412.578 2.940 40 0 HFABHN CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN(C(=O)c5cc[nH]n5)C4)[n-]c(=O)c3C2)CC1 ZINC000019495964 558894798 /nfs/dbraw/zinc/89/47/98/558894798.db2.gz XVQOCILAZGJELC-CGZBRXJRSA-N 0 3 424.549 2.862 40 0 HFABHN CC1CCC([N@H+]2CCc3nc([C@H]4CCCN(C(=O)c5cc[nH]n5)C4)[n-]c(=O)c3C2)CC1 ZINC000019495964 558894800 /nfs/dbraw/zinc/89/48/00/558894800.db2.gz XVQOCILAZGJELC-CGZBRXJRSA-N 0 3 424.549 2.862 40 0 HFABHN CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN(C(=O)c5ccn[nH]5)C4)[n-]c(=O)c3C2)CC1 ZINC000019495964 558894802 /nfs/dbraw/zinc/89/48/02/558894802.db2.gz XVQOCILAZGJELC-CGZBRXJRSA-N 0 3 424.549 2.862 40 0 HFABHN CC1CCC([N@H+]2CCc3nc([C@H]4CCCN(C(=O)c5ccn[nH]5)C4)[n-]c(=O)c3C2)CC1 ZINC000019495964 558894804 /nfs/dbraw/zinc/89/48/04/558894804.db2.gz XVQOCILAZGJELC-CGZBRXJRSA-N 0 3 424.549 2.862 40 0 HFABHN CCCC(=O)N1CCc2nc([C@H]3CCC[N@H+](Cc4cccc(OC)c4)C3)[n-]c(=O)c2C1 ZINC000019501591 558899764 /nfs/dbraw/zinc/89/97/64/558899764.db2.gz QRIQPYOVAFUUQF-SFHVURJKSA-N 0 3 424.545 2.843 40 0 HFABHN CCCC(=O)N1CCc2nc([C@H]3CCC[N@@H+](Cc4cccc(OC)c4)C3)[n-]c(=O)c2C1 ZINC000019501591 558899767 /nfs/dbraw/zinc/89/97/67/558899767.db2.gz QRIQPYOVAFUUQF-SFHVURJKSA-N 0 3 424.545 2.843 40 0 HFABHN Cc1cc(C)n(CCC(=O)Nc2ccc3c(c2)nc(CN2CCCCC2)n3C)c(=O)n1 ZINC000019572531 558930692 /nfs/dbraw/zinc/93/06/92/558930692.db2.gz DJWNYENCNLQQII-UHFFFAOYSA-N 0 3 422.533 2.762 40 0 HFABHN CN(C)c1ncc(C(=O)N(C)C2CCC3(CC2)CN(C)Cc2ccccc2O3)cn1 ZINC000019590868 558940982 /nfs/dbraw/zinc/94/09/82/558940982.db2.gz XKMDLKFXTXBIFK-UHFFFAOYSA-N 0 3 409.534 2.820 40 0 HFABHN COc1cc(OC)c(OC)cc1CN1C[C@@H]2C[C@@H](O)CN2C[C@@H]1Cc1ccccc1 ZINC000019595015 558945809 /nfs/dbraw/zinc/94/58/09/558945809.db2.gz FFOHACBIFXXORV-PCCBWWKXSA-N 0 3 412.530 2.575 40 0 HFABHN CN1CCC(C(=O)N2CCC[C@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)CC1 ZINC000072350388 558947482 /nfs/dbraw/zinc/94/74/82/558947482.db2.gz YJYVPXRWHXZWLE-FQEVSTJZSA-N 0 3 406.530 2.895 40 0 HFABHN Cc1ccnn1CCNC(=O)c1ccc([C@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000019705906 558968468 /nfs/dbraw/zinc/96/84/68/558968468.db2.gz NBXKTMJYRORNBV-FQEVSTJZSA-N 0 3 404.518 2.791 40 0 HFABHN CN(C)C(=O)CN1CCC[C@@]12CCCN(C(=O)COc1cccc(Cl)c1)CC2 ZINC000585100573 559024127 /nfs/dbraw/zinc/02/41/27/559024127.db2.gz OERSKNRYIZRREY-OAQYLSRUSA-N 0 3 407.942 2.654 40 0 HFABHN O=C(NCC(F)(F)F)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccc(-n3ccnc3)cc2)C1 ZINC000585108741 559030120 /nfs/dbraw/zinc/03/01/20/559030120.db2.gz RDINEVVGHHZXBR-CGTJXYLNSA-N 0 3 408.424 2.530 40 0 HFABHN CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(Cc2ccsc2)CC3)C1=O ZINC000096036570 559090456 /nfs/dbraw/zinc/09/04/56/559090456.db2.gz OSLDAQFXCFSBAP-NRFANRHFSA-N 0 3 404.580 2.566 40 0 HFABHN Cc1ccc(CN2CCC3(CC2)O[C@H](C(=O)N2CCCC2)Cn2ccnc23)s1 ZINC000096036826 559090702 /nfs/dbraw/zinc/09/07/02/559090702.db2.gz CBDIMLCCJXUIML-SFHVURJKSA-N 0 3 400.548 2.766 40 0 HFABHN Cc1nc(Cn2cnc(-c3cc(C(=O)NCCN(C)C)c4ccccn34)c2)cs1 ZINC000096154916 559099307 /nfs/dbraw/zinc/09/93/07/559099307.db2.gz UFHWNPIBBCHUEV-UHFFFAOYSA-N 0 3 408.531 2.907 40 0 HFABHN CN(C)[C@@H]1CCN(C(=O)c2ccn(-c3ccc4ccc(-c5ccncc5)cn43)n2)C1 ZINC000096155376 559099534 /nfs/dbraw/zinc/09/95/34/559099534.db2.gz DRPICHCODOQBCH-HXUWFJFHSA-N 0 3 400.486 2.963 40 0 HFABHN CN1CCN(C[C@@H]2CO[C@]3(C2)CCCN(C(=O)c2ccc(-n4cccc4)cc2)C3)CC1 ZINC000096228439 559102716 /nfs/dbraw/zinc/10/27/16/559102716.db2.gz HTKWONGZAQDBLJ-BWKNWUBXSA-N 0 3 422.573 2.736 40 0 HFABHN Cc1nccn1C[C@]1(O)CN(C)CCN(C(=O)c2ccccc2Nc2ccccc2)C1 ZINC000585261741 559109350 /nfs/dbraw/zinc/10/93/50/559109350.db2.gz CYJNCOJUDQTCME-XMMPIXPASA-N 0 3 419.529 2.754 40 0 HFABHN Cc1cc(C)n(CCOc2ccc(CNC[C@@]3(O)CCN(c4ccccn4)C3)cc2)n1 ZINC000585271475 559115875 /nfs/dbraw/zinc/11/58/75/559115875.db2.gz ZKRGOWGABXIBPB-DEOSSOPVSA-N 0 3 421.545 2.705 40 0 HFABHN COc1cc(CN(C)C[C@@H](O)c2ccccc2)ccc1OCCN1CCOCC1 ZINC000585272009 559117909 /nfs/dbraw/zinc/11/79/09/559117909.db2.gz IJRNUSRQNVBAGS-OAQYLSRUSA-N 0 3 400.519 2.572 40 0 HFABHN CC(C)N(Cc1ccccc1)C[C@@]1(O)CN(C(=O)CCc2ccccc2)CC[C@@H]1O ZINC000585286091 559121859 /nfs/dbraw/zinc/12/18/59/559121859.db2.gz VLNGALQGDIYOSH-ZCYQVOJMSA-N 0 3 410.558 2.854 40 0 HFABHN Cc1nccn1CCCOc1cccc(CN2C[C@H](c3ccccc3)[C@@H](O)[C@H]2CO)c1 ZINC000585291608 559123866 /nfs/dbraw/zinc/12/38/66/559123866.db2.gz ASLSYNKACAZHRO-UBFVSLLYSA-N 0 3 421.541 2.982 40 0 HFABHN CN(Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@@H](O)COc1ccccc1 ZINC000257277511 559285171 /nfs/dbraw/zinc/28/51/71/559285171.db2.gz NYGDDWNDODWSAZ-OAQYLSRUSA-N 0 3 412.530 2.950 40 0 HFABHN Cc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCCOCCO)cc2)c(C)c1 ZINC000257284451 559285391 /nfs/dbraw/zinc/28/53/91/559285391.db2.gz PCTPEIPDPAEVML-OAQYLSRUSA-N 0 3 403.519 2.563 40 0 HFABHN COc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCc3ccccc3)cc2c1 ZINC000004133579 560600622 /nfs/dbraw/zinc/60/06/22/560600622.db2.gz IGAXFBAXHAHCSN-UHFFFAOYSA-N 0 3 424.570 2.975 40 0 HFABHN Cc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C3CCCC3)CC2)cc1 ZINC000020140735 560881437 /nfs/dbraw/zinc/88/14/37/560881437.db2.gz OHQUQEPLOXLIAC-VXKWHMMOSA-N 0 3 410.566 2.810 40 0 HFABHN COCCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C ZINC000223264829 568543355 /nfs/dbraw/zinc/54/33/55/568543355.db2.gz VFJXLLNQENDAOC-PMACEKPBSA-N 0 3 401.580 2.680 40 0 HFABHN COC(=O)CSc1nnc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)s1 ZINC000224331600 568578123 /nfs/dbraw/zinc/57/81/23/568578123.db2.gz QJCPFXROYIFMTB-UHFFFAOYSA-N 0 3 420.560 2.962 40 0 HFABHN CCCn1c2ccc(S(=O)(=O)NCCCN3CCC(C)CC3)cc2sc1=O ZINC000225728498 568668519 /nfs/dbraw/zinc/66/85/19/568668519.db2.gz UIYWFNKOSQXSNR-UHFFFAOYSA-N 0 3 411.593 2.873 40 0 HFABHN CCCn1c2ccc(S(=O)(=O)NCCCN3CCC[C@@H](C)C3)cc2sc1=O ZINC000225734100 568669130 /nfs/dbraw/zinc/66/91/30/568669130.db2.gz HHMGAAAPAOGWNZ-OAHLLOKOSA-N 0 3 411.593 2.873 40 0 HFABHN COc1ccccc1C1OCC(C)(C(=O)Nc2ccc(OCCN(C)C)nc2)CO1 ZINC000225921429 568686242 /nfs/dbraw/zinc/68/62/42/568686242.db2.gz NUTKBSSIIQJEMP-UHFFFAOYSA-N 0 3 415.490 2.721 40 0 HFABHN C[N@H+]1[C@@H]2CCCC[C@@H]3N(C(=O)c4cc(=O)[n-]c(=O)[nH]4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257223399 568782943 /nfs/dbraw/zinc/78/29/43/568782943.db2.gz DXECONHSNYFTOJ-BPJSAFFHSA-N 0 3 422.529 2.977 40 0 HFABHN C[N@@H+]1[C@@H]2CCCC[C@@H]3N(C(=O)c4cc(=O)[n-]c(=O)[nH]4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257223399 568782945 /nfs/dbraw/zinc/78/29/45/568782945.db2.gz DXECONHSNYFTOJ-BPJSAFFHSA-N 0 3 422.529 2.977 40 0 HFABHN COc1cc2c(cc1CN1CCC[C@@H](c3n[nH]cc3C(=O)N3CCOCC3)C1)CCC2 ZINC000257293818 568802727 /nfs/dbraw/zinc/80/27/27/568802727.db2.gz QRHIYUWBWZWYHJ-LJQANCHMSA-N 0 3 424.545 2.759 40 0 HFABHN CCN(Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000257298557 568804072 /nfs/dbraw/zinc/80/40/72/568804072.db2.gz RMGBXCYZLBOUIJ-HSZRJFAPSA-N 0 3 407.518 2.837 40 0 HFABHN CS(=O)(=O)N1CCC(N2CC[C@H](c3ncc(Cc4cccc(F)c4)o3)C2)CC1 ZINC000257314015 568808391 /nfs/dbraw/zinc/80/83/91/568808391.db2.gz UVAUGZFHWSZAQJ-INIZCTEOSA-N 0 3 407.511 2.618 40 0 HFABHN CS(=O)(=O)N1CCC(N2CC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)CC1 ZINC000257314016 568808521 /nfs/dbraw/zinc/80/85/21/568808521.db2.gz UVAUGZFHWSZAQJ-MRXNPFEDSA-N 0 3 407.511 2.618 40 0 HFABHN Cc1nn(C)cc1S(=O)(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N[C@H]2Cc1ccccc1 ZINC000257321076 568810675 /nfs/dbraw/zinc/81/06/75/568810675.db2.gz VZZRFBIIHGCKQV-QHGDMDKLSA-N 0 3 414.575 2.633 40 0 HFABHN COC[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218217305 568836355 /nfs/dbraw/zinc/83/63/55/568836355.db2.gz WHDXJJAXFNAVHT-OKZBNKHCSA-N 0 3 410.333 2.980 40 0 HFABHN CC[C@@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3ccc(C)s3)CC1)COC2 ZINC000306129266 568891938 /nfs/dbraw/zinc/89/19/38/568891938.db2.gz HYYSCMKJOMSLQZ-OAHLLOKOSA-N 0 3 417.579 2.989 40 0 HFABHN O=C1N(Cc2ccncc2)CCO[C@]12CN(Cc1cccs1)C[C@H]2c1cccnc1 ZINC000306135900 568897773 /nfs/dbraw/zinc/89/77/73/568897773.db2.gz PEBRGZHAEDBTTO-GMAHTHKFSA-N 0 3 420.538 2.935 40 0 HFABHN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4scnc4C)C[C@@H]2C3)cc1 ZINC000306138836 568900599 /nfs/dbraw/zinc/90/05/99/568900599.db2.gz SIRZFRUFOBEFLJ-GJZGRUSLSA-N 0 3 424.530 2.608 40 0 HFABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218119025 568926141 /nfs/dbraw/zinc/92/61/41/568926141.db2.gz FBULYROZECUSEK-BJLQDIEVSA-N 0 3 423.918 2.797 40 0 HFABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218652208 568942768 /nfs/dbraw/zinc/94/27/68/568942768.db2.gz BTXJLVOOORJGIC-AOIWGVFYSA-N 0 3 411.882 2.927 40 0 HFABHN CN(C)CCNc1nc(Nc2ccccc2OC(F)(F)F)cc(C(F)(F)F)n1 ZINC000328988296 568971452 /nfs/dbraw/zinc/97/14/52/568971452.db2.gz IFVMLMLBQNGVBF-UHFFFAOYSA-N 0 3 409.334 2.955 40 0 HFABHN CCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CCC3CCCCC3)C1)C2=O ZINC000019699830 569347159 /nfs/dbraw/zinc/34/71/59/569347159.db2.gz WLACDGLHWIWYLE-LJQANCHMSA-N 0 3 418.582 2.744 40 0 HFABHN CC(C)C[C@@H]1N[C@H](C(=O)N2CCN(c3ncccn3)CC2)Cc2c[nH]c3cccc1c23 ZINC000049171441 291217187 /nfs/dbraw/zinc/21/71/87/291217187.db2.gz ZCAUATQZRVYYIM-SFTDATJTSA-N 0 3 418.545 2.908 40 0 biogenic,in-vitro HFABHN O=C(Nc1ccccc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCCC2)nn1 ZINC000008298330 291229253 /nfs/dbraw/zinc/22/92/53/291229253.db2.gz MQPNCVVPGQCVFK-SXLOBPIMSA-N 0 3 409.534 2.779 40 0 biogenic,in-vitro HFABHN COc1cccc(C(=O)N(C)[C@H]2CCCN(C(=O)CN3CCC(C)CC3)CC2)c1 ZINC000019745587 558266034 /nfs/dbraw/zinc/26/60/34/558266034.db2.gz MAKYRRVHYZBDFV-FQEVSTJZSA-N 0 3 401.551 2.880 40 0 HFABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@H]1c1ccc(C)cc1 ZINC000020637195 558396500 /nfs/dbraw/zinc/39/65/00/558396500.db2.gz IZJSJUGWVYAWQP-SFTDATJTSA-N 0 3 420.513 2.523 40 0 HFABHN O=C(c1ccccc1F)N1CCc2c(=O)[n-]c([C@H]3CC[N@@H+](C4CCCC4)C3)nc2C1 ZINC000019347675 558874002 /nfs/dbraw/zinc/87/40/02/558874002.db2.gz SCFVWUUVWUIXLP-HNNXBMFYSA-N 0 3 410.493 2.839 40 0 HFABHN O=C(c1ccccc1F)N1CCc2c(=O)[n-]c([C@H]3CC[N@H+](C4CCCC4)C3)nc2C1 ZINC000019347675 558874005 /nfs/dbraw/zinc/87/40/05/558874005.db2.gz SCFVWUUVWUIXLP-HNNXBMFYSA-N 0 3 410.493 2.839 40 0 HFABHN COc1ccc(C2=NO[C@](C)(C(=O)Nc3nnc(CCN4CCCC4)s3)C2)cc1 ZINC000019460859 558893590 /nfs/dbraw/zinc/89/35/90/558893590.db2.gz AIHUICKDDRSUSI-FQEVSTJZSA-N 0 3 415.519 2.707 40 0 HFABHN COc1c(C)cccc1CN1C[C@H](C(=O)N(C)C)[C@@]2(C1)CCc1ccccc1C(=O)N2 ZINC000072334367 558935279 /nfs/dbraw/zinc/93/52/79/558935279.db2.gz JNVMNOFQAZLPPY-BWKNWUBXSA-N 0 3 421.541 2.639 40 0 HFABHN CN1CCN(c2nc(-c3ccccn3)nc3c2CCN(Cc2ccccc2)C3)CC1 ZINC000072337413 558937817 /nfs/dbraw/zinc/93/78/17/558937817.db2.gz YCXPEOUKUFYZJW-UHFFFAOYSA-N 0 3 400.530 2.849 40 0 HFABHN COc1ccc(CCC(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)cc1 ZINC000019590237 558940812 /nfs/dbraw/zinc/94/08/12/558940812.db2.gz YKGTUVIVSCFHIL-QGZVFWFLSA-N 0 3 410.518 2.518 40 0 HFABHN COc1ccc(CCC(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)cc1 ZINC000019590237 558940815 /nfs/dbraw/zinc/94/08/15/558940815.db2.gz YKGTUVIVSCFHIL-QGZVFWFLSA-N 0 3 410.518 2.518 40 0 HFABHN NC(=O)C1(N2CCOCC2)CCN(Cc2cn(C3CCCC3)c3ccccc23)CC1 ZINC000019658550 558950369 /nfs/dbraw/zinc/95/03/69/558950369.db2.gz NZYMCWALJFWNIH-UHFFFAOYSA-N 0 3 410.562 2.909 40 0 HFABHN CN1CCCC[C@H]1CNC(=O)c1ccc(C2CCN(C(=O)c3ccccn3)CC2)nc1 ZINC000019708113 558970229 /nfs/dbraw/zinc/97/02/29/558970229.db2.gz STJYGCZQHAGKIO-FQEVSTJZSA-N 0 3 421.545 2.711 40 0 HFABHN C[C@H](c1ccccc1)N1C(=O)C[C@H]2[C@@H]1CCN2Cc1ccnc(N2CCOCC2)c1 ZINC000585109145 559030308 /nfs/dbraw/zinc/03/03/08/559030308.db2.gz YAONYENQMNRGBX-COPCDDAFSA-N 0 3 406.530 2.855 40 0 HFABHN CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1CN(C(=O)c1cccnc1)CCC2 ZINC000096056090 559093866 /nfs/dbraw/zinc/09/38/66/559093866.db2.gz KJIOWTUWRIZUPP-YKSBVNFPSA-N 0 3 422.529 2.703 40 0 HFABHN CN1CCN(C[C@H]2CO[C@@]3(C2)CCCN(C(=O)c2ccc(-n4cccc4)cc2)C3)CC1 ZINC000096228436 559102673 /nfs/dbraw/zinc/10/26/73/559102673.db2.gz HTKWONGZAQDBLJ-SQJMNOBHSA-N 0 3 422.573 2.736 40 0 HFABHN CCN1C(=O)[C@H]2CN(Cc3cccnc3)C[C@H]2C12CCN(C(=O)c1ccccc1)CC2 ZINC000096262303 559106407 /nfs/dbraw/zinc/10/64/07/559106407.db2.gz AEDGLIQOUAYPGD-FCHUYYIVSA-N 0 3 418.541 2.667 40 0 HFABHN COC1(COc2cccc(Cl)c2)CCN(C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000585281617 559119442 /nfs/dbraw/zinc/11/94/42/559119442.db2.gz NHVXYDJNWVULLH-UHFFFAOYSA-N 0 3 416.971 2.624 40 0 HFABHN CC(=O)N1CCN(CC2(O)CCCCCC2)C[C@@](O)(COc2cc(C)cc(C)c2)C1 ZINC000585284988 559121497 /nfs/dbraw/zinc/12/14/97/559121497.db2.gz BINHKZSYHQSRIB-DEOSSOPVSA-N 0 3 418.578 2.663 40 0 HFABHN O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CNCc2cccc(Cl)c2)[C@@H](O)C1 ZINC000585286105 559121866 /nfs/dbraw/zinc/12/18/66/559121866.db2.gz VUHXIHOCKYAGTA-ICSRJNTNSA-N 0 3 409.313 2.721 40 0 HFABHN CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C ZINC000057773613 568497667 /nfs/dbraw/zinc/49/76/67/568497667.db2.gz PHWFXJBBPYKLBM-FGZHOGPDSA-N 0 3 423.557 2.865 40 0 HFABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1cccnc1 ZINC000223260815 568543112 /nfs/dbraw/zinc/54/31/12/568543112.db2.gz LKZZYBJLOSNISL-LEWJYISDSA-N 0 3 406.559 2.861 40 0 HFABHN Cc1ccc(C(=O)NC2CCN(C)CC2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000224302172 568577169 /nfs/dbraw/zinc/57/71/69/568577169.db2.gz JZKYEGDFCRRZIW-UHFFFAOYSA-N 0 3 401.532 2.644 40 0 HFABHN COC(=O)c1cc(S(=O)(=O)NCc2ccccc2CN2CCCC2)ccc1C ZINC000224801102 568597407 /nfs/dbraw/zinc/59/74/07/568597407.db2.gz FYCBEHZEHKTVMG-UHFFFAOYSA-N 0 3 402.516 2.856 40 0 HFABHN CC[NH+](CC)Cc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 ZINC000225085195 568613269 /nfs/dbraw/zinc/61/32/69/568613269.db2.gz LNWZYHBWANBFKA-UHFFFAOYSA-N 0 3 415.515 2.983 40 0 HFABHN CCCn1c2ccc(S(=O)(=O)NCCCN3CCC[C@H](C)C3)cc2sc1=O ZINC000260801593 568740295 /nfs/dbraw/zinc/74/02/95/568740295.db2.gz HHMGAAAPAOGWNZ-HNNXBMFYSA-N 0 3 411.593 2.873 40 0 HFABHN CC(C)n1cc(CN2CCC3(C[C@H](CNS(=O)(=O)c4ccccc4)O3)CC2)cn1 ZINC000247995413 568747026 /nfs/dbraw/zinc/74/70/26/568747026.db2.gz MGPNAEDXEOMMCI-LJQANCHMSA-N 0 3 418.563 2.566 40 0 HFABHN Cc1ccccc1CN1CC[C@H](c2nc(C)c(CC(=O)N3CCOCC3)c(C)n2)C1 ZINC000257272127 568796123 /nfs/dbraw/zinc/79/61/23/568796123.db2.gz NBESLVYGJWBEHV-NRFANRHFSA-N 0 3 408.546 2.793 40 0 HFABHN O=C(NCc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3cccc(F)c3)C[C@@H]1C2 ZINC000306125481 568888394 /nfs/dbraw/zinc/88/83/94/568888394.db2.gz CSFQLXMSXQGMIU-RBUKOAKNSA-N 0 3 405.477 2.652 40 0 HFABHN CN1C[C@H](C(=O)NCc2cccs2)OC2(CCN(Cc3ccsc3)CC2)C1 ZINC000306127245 568889945 /nfs/dbraw/zinc/88/99/45/568889945.db2.gz FTAANNXCOPCTMZ-GOSISDBHSA-N 0 3 405.589 2.791 40 0 HFABHN O=C1N(Cc2ccncc2)CCO[C@@]12CN(Cc1ccsc1)C[C@H]2c1cccnc1 ZINC000306127326 568889959 /nfs/dbraw/zinc/88/99/59/568889959.db2.gz FVSMCYSPJBBRCU-JTHBVZDNSA-N 0 3 420.538 2.935 40 0 HFABHN O=c1c(-c2ccccc2)nnc2n1CC[C@]21CCN(Cc2ccc3c(c2)OCO3)C1 ZINC000306129033 568891657 /nfs/dbraw/zinc/89/16/57/568891657.db2.gz HRXMZVZVIGNGHZ-QHCPKHFHSA-N 0 3 402.454 2.581 40 0 HFABHN O=c1c(=O)n(CC2CCCCC2)nc2n1C[C@@H]1CCN(Cc3cccc(F)c3)C[C@@H]21 ZINC000306133112 568895333 /nfs/dbraw/zinc/89/53/33/568895333.db2.gz MCLXMTMHDRCKGG-AZUAARDMSA-N 0 3 412.509 2.744 40 0 HFABHN Cc1cccc(CN2CCC3(CCc4nnc(C(=O)NC5CCCC5)n4C3)CC2)n1 ZINC000306136748 568898693 /nfs/dbraw/zinc/89/86/93/568898693.db2.gz QCFKFRSUSKWRPN-UHFFFAOYSA-N 0 3 408.550 2.883 40 0 HFABHN CCOC(=O)[C@@]1(CN)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218655319 568908609 /nfs/dbraw/zinc/90/86/09/568908609.db2.gz VYIBRQWTSZPVGD-LNLFQRSKSA-N 0 3 411.882 2.927 40 0 HFABHN COC[C@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218181334 568927280 /nfs/dbraw/zinc/92/72/80/568927280.db2.gz XBFJYMNVCOJWGZ-GBESFXJTSA-N 0 3 409.891 2.600 40 0 HFABHN CN(C)CCNc1nc(Nc2cccc(Br)c2)cc(C(F)(F)F)n1 ZINC000328961039 568969836 /nfs/dbraw/zinc/96/98/36/568969836.db2.gz BAGKHYXLQKCBTL-UHFFFAOYSA-N 0 3 404.234 2.819 40 0 HFABHN CN(C)CCNc1nc(Nc2ccccc2I)cc(C2CC2)n1 ZINC000329072208 568976023 /nfs/dbraw/zinc/97/60/23/568976023.db2.gz ZVZOCKRCCNUCQT-UHFFFAOYSA-N 0 3 423.302 2.520 40 0 HFABHN C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CCN3CCC[C@H]3C1)[C@]1(C2)Nc2ccccc2C(=O)N1 ZINC000253595471 569318357 /nfs/dbraw/zinc/31/83/57/569318357.db2.gz FAOJJDMFNZOAEQ-JCJMJZECSA-N 0 3 408.546 2.671 40 0 HFABHN COc1ccc(CN2CCC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)cc1 ZINC000012219510 569344795 /nfs/dbraw/zinc/34/47/95/569344795.db2.gz MMYJKOGRKBDAMY-LJQANCHMSA-N 0 3 407.518 2.956 40 0 HFABHN Fc1cccc([C@@H](c2nnnn2CCc2ccccc2)N2CCN3CCC[C@H]3C2)c1 ZINC000022863279 569349825 /nfs/dbraw/zinc/34/98/25/569349825.db2.gz ZCBOEVSHBCJLLB-VXKWHMMOSA-N 0 3 406.509 2.924 40 0 HFABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000252514722 569387914 /nfs/dbraw/zinc/38/79/14/569387914.db2.gz CYPPSCAOSORZEQ-DBXWQHBBSA-N 0 3 402.516 2.849 40 0 HFABHN COc1cc(Br)c2c3c1O[C@H]1C4(CC[C@H]5[C@@H](C2)N(C)CC[C@]315)OCCO4 ZINC000096316250 291222947 /nfs/dbraw/zinc/22/29/47/291222947.db2.gz ZABOYUCAGYOXEK-BXOLDHOESA-N 0 3 422.319 2.870 40 0 biogenic,in-vitro HFABHN OC1(c2csc(CN3CCOCC3)n2)CCN(C2CCC(F)(F)CC2)CC1 ZINC000225424170 291230255 /nfs/dbraw/zinc/23/02/55/291230255.db2.gz HWNNLMKJZCUWEJ-UHFFFAOYSA-N 0 3 401.523 2.837 40 0 biogenic,in-vitro HFABHN CN(C)CCOc1ccc(NC(=O)C2(C)COC(c3ccc(F)cc3)OC2)cn1 ZINC000225920019 521799227 /nfs/dbraw/zinc/79/92/27/521799227.db2.gz HXJVPYQCUUPBMV-UHFFFAOYSA-N 0 3 403.454 2.852 40 0 HFABHN COc1ccc2c(c1)C[C@@H](CN1CCC3(CC1)C(=O)N(C)CN3c1ccccc1)O2 ZINC000005010828 557625406 /nfs/dbraw/zinc/62/54/06/557625406.db2.gz ZGSMDYBKPSCIDB-NRFANRHFSA-N 0 3 407.514 2.769 40 0 HFABHN CC(C)(C)C1=NN(CC(=O)N[C@H]2CN3CCC2CC3)C(=O)c2cc3ccccc3n2C1 ZINC000012145906 558337393 /nfs/dbraw/zinc/33/73/93/558337393.db2.gz KUZGUDYCRJTTDK-SFHVURJKSA-N 0 3 421.545 2.710 40 0 HFABHN C[C@@H]1C[C@H](C)CN(CC(=O)N2CCC(c3cc(=O)n4c(n3)CCCCC4)CC2)C1 ZINC000012235894 558358812 /nfs/dbraw/zinc/35/88/12/558358812.db2.gz WXEGXCOVYOMXLN-HDICACEKSA-N 0 3 400.567 2.654 40 0 HFABHN Cn1c2ccc(S(=O)(=O)N3CCCC[C@@H]3CN3CCCCC3)cc2sc1=O ZINC000012239401 558359917 /nfs/dbraw/zinc/35/99/17/558359917.db2.gz RXQKHUWVNACGRI-OAHLLOKOSA-N 0 3 409.577 2.629 40 0 HFABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@H]1c1cccc(C)c1 ZINC000020801413 558415299 /nfs/dbraw/zinc/41/52/99/558415299.db2.gz OHRMUNGSBUFMIO-SFTDATJTSA-N 0 3 420.513 2.523 40 0 HFABHN C[C@H](C(=O)N1CCNC(=O)[C@H](Cc2ccccc2-c2ccncc2)C1)N1CCCCC1 ZINC000019079212 558838876 /nfs/dbraw/zinc/83/88/76/558838876.db2.gz GLVGSWVHYNAPSC-DENIHFKCSA-N 0 3 420.557 2.740 40 0 HFABHN Cn1ccnc1CNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019291513 558863837 /nfs/dbraw/zinc/86/38/37/558863837.db2.gz QZMBDJRPLADFSZ-NHCUHLMSSA-N 0 3 420.488 2.807 40 0 HFABHN O=C(c1ccccc1F)N1CC[C@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCC2)CC3)C1 ZINC000019347449 558873789 /nfs/dbraw/zinc/87/37/89/558873789.db2.gz CXYWMOJEWXUCLT-HNNXBMFYSA-N 0 3 410.493 2.839 40 0 HFABHN O=C(c1ccccc1F)N1CC[C@H](c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCC2)CC3)C1 ZINC000019347449 558873791 /nfs/dbraw/zinc/87/37/91/558873791.db2.gz CXYWMOJEWXUCLT-HNNXBMFYSA-N 0 3 410.493 2.839 40 0 HFABHN CC(C)[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)Cc3cc(F)ccc3F)[n-]c(=O)c2C1 ZINC000019448247 558886980 /nfs/dbraw/zinc/88/69/80/558886980.db2.gz RHYIUWJFZMMBFT-LJQANCHMSA-N 0 3 416.472 2.721 40 0 HFABHN CC(C)[N@H+]1CCc2nc([C@H]3CCCN3C(=O)Cc3cc(F)ccc3F)[n-]c(=O)c2C1 ZINC000019448247 558886984 /nfs/dbraw/zinc/88/69/84/558886984.db2.gz RHYIUWJFZMMBFT-LJQANCHMSA-N 0 3 416.472 2.721 40 0 HFABHN COc1cccc([C@@H]2CN(C(=O)CN3CCC[C@@H](C)C3)C[C@H]2c2csnn2)c1 ZINC000019496516 558895377 /nfs/dbraw/zinc/89/53/77/558895377.db2.gz NAZPZOUSOUPIMV-AYOQOUSVSA-N 0 3 400.548 2.988 40 0 HFABHN CC1CCN(CC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)CC1 ZINC000019496863 558895651 /nfs/dbraw/zinc/89/56/51/558895651.db2.gz VBUULGSZMNQYIC-UHFFFAOYSA-N 0 3 401.536 2.744 40 0 HFABHN COc1cc(C[N@@H+]2CC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc(OC)c1OC ZINC000019549680 558914363 /nfs/dbraw/zinc/91/43/63/558914363.db2.gz ZMNUOPXOPGGOGF-KRWDZBQOSA-N 0 3 422.485 2.847 40 0 HFABHN COc1cc(C[N@H+]2CC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc(OC)c1OC ZINC000019549680 558914366 /nfs/dbraw/zinc/91/43/66/558914366.db2.gz ZMNUOPXOPGGOGF-KRWDZBQOSA-N 0 3 422.485 2.847 40 0 HFABHN C[C@]12CC[C@H](C[C@@H]1C(=O)N1CCN3CCC[C@@H]3C1)[C@@]1(C2)Nc2ccccc2C(=O)N1 ZINC000072326512 558933509 /nfs/dbraw/zinc/93/35/09/558933509.db2.gz FAOJJDMFNZOAEQ-PKAOZNQDSA-N 0 3 408.546 2.671 40 0 HFABHN CN1CCC(C(=O)N2CCC[C@@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)CC1 ZINC000072350389 558947380 /nfs/dbraw/zinc/94/73/80/558947380.db2.gz YJYVPXRWHXZWLE-HXUWFJFHSA-N 0 3 406.530 2.895 40 0 HFABHN CCn1nc([C@H](C)C(=O)Nc2ccnn2C2CCN(C)CC2)c2ccccc2c1=O ZINC000019660552 558951810 /nfs/dbraw/zinc/95/18/10/558951810.db2.gz RUJIBYDOQNQHFC-HNNXBMFYSA-N 0 3 408.506 2.622 40 0 HFABHN CN1CCC(n2nccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000019665516 558955638 /nfs/dbraw/zinc/95/56/38/558955638.db2.gz MXFKDEGSKDKBKV-CQSZACIVSA-N 0 3 401.898 2.795 40 0 HFABHN O=C(CN1CCC[C@@H]2CCCC[C@@H]21)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000257220348 558990561 /nfs/dbraw/zinc/99/05/61/558990561.db2.gz DKMFOTAVDJZKEB-ZJOUEHCJSA-N 0 3 412.578 2.940 40 0 HFABHN COC[C@H]1CC2(CN1Cc1cccnc1)CCN(C(=O)c1csc(C)n1)CC2 ZINC000585103484 559026670 /nfs/dbraw/zinc/02/66/70/559026670.db2.gz GYDOQOCNTNRFKG-GOSISDBHSA-N 0 3 400.548 2.990 40 0 HFABHN COc1ccc(CN2CCC3(CC2)O[C@H](C(=O)NCC(C)C)Cn2ccnc23)cc1 ZINC000096036777 559090677 /nfs/dbraw/zinc/09/06/77/559090677.db2.gz CFJISCLQHTYFNY-FQEVSTJZSA-N 0 3 412.534 2.554 40 0 HFABHN Cc1oncc1C(=O)N1Cc2ccccc2C2(CCN(Cc3cnn(C)c3)CC2)C1 ZINC000096242581 559104124 /nfs/dbraw/zinc/10/41/24/559104124.db2.gz IXUMMAWUVBPYCO-UHFFFAOYSA-N 0 3 405.502 2.906 40 0 HFABHN Cc1nccn1C[C@@]1(O)CN(C)CCN(C(=O)c2ccccc2Nc2ccccc2)C1 ZINC000585261737 559109365 /nfs/dbraw/zinc/10/93/65/559109365.db2.gz CYJNCOJUDQTCME-DEOSSOPVSA-N 0 3 419.529 2.754 40 0 HFABHN COc1cc(CN(C)C[C@H](O)c2ccccc2)ccc1OCCN1CCOCC1 ZINC000585272008 559117845 /nfs/dbraw/zinc/11/78/45/559117845.db2.gz IJRNUSRQNVBAGS-NRFANRHFSA-N 0 3 400.519 2.572 40 0 HFABHN Cc1cccc(CNC[C@@]2(O)CN(C(=O)c3ccc(Cl)cc3)CC[C@@H]2O)c1C ZINC000585286093 559121796 /nfs/dbraw/zinc/12/17/96/559121796.db2.gz VOBLUHPHSKJYLC-RBBKRZOGSA-N 0 3 402.922 2.685 40 0 HFABHN CCN1CC[C@@]2(CN(c3ncccn3)CC23CCN(Cc2cccs2)CC3)C1=O ZINC000097952888 559125047 /nfs/dbraw/zinc/12/50/47/559125047.db2.gz YUOPLDMCIKVXRD-JOCHJYFZSA-N 0 3 411.575 2.879 40 0 HFABHN OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1cccc(Oc2ccccc2)c1 ZINC000585294752 559137754 /nfs/dbraw/zinc/13/77/54/559137754.db2.gz JEFJXUBHFDPGMS-FQUZAXHOSA-N 0 3 405.494 2.989 40 0 HFABHN O[C@]1(CN2CCN(c3ccccc3)CC2)CCN(Cc2ccc(OCCF)cc2)C1 ZINC000257310763 559286197 /nfs/dbraw/zinc/28/61/97/559286197.db2.gz UGLFTBVNKQKYPE-DEOSSOPVSA-N 0 3 413.537 2.794 40 0 HFABHN COc1ccc(N2C(=O)C[C@@H](NCCc3ccc(OC)c(OC)c3)C2=O)cc1Cl ZINC000000710581 560554511 /nfs/dbraw/zinc/55/45/11/560554511.db2.gz XJVPHMZQKBFSHW-MRXNPFEDSA-N 0 3 418.877 2.830 40 0 HFABHN Cc1ccc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=S)NC[C@H]3CCCO3)cc12 ZINC000004133522 560600645 /nfs/dbraw/zinc/60/06/45/560600645.db2.gz KVCKBTNSHDZVIV-GOSISDBHSA-N 0 3 416.591 2.562 40 0 HFABHN COc1ccc2cc(CN(CCN(C)C)C(=S)NCc3ccccc3)c(=O)[nH]c2c1 ZINC000004133617 560600651 /nfs/dbraw/zinc/60/06/51/560600651.db2.gz AMCONDWEZABLIN-UHFFFAOYSA-N 0 3 424.570 2.975 40 0 HFABHN COc1ccc(Cn2nnnc2[C@@H](c2ccc(C)cc2)N2CCN3CCC[C@@H]3C2)cc1 ZINC000020098559 560880502 /nfs/dbraw/zinc/88/05/02/560880502.db2.gz YDHNHBFVZHYVEZ-FYYLOGMGSA-N 0 3 418.545 2.908 40 0 HFABHN CC[C@H](C(=O)NC1CCN(C)CC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000220689863 568508488 /nfs/dbraw/zinc/50/84/88/568508488.db2.gz RCGRNZIGRWYPSQ-OAHLLOKOSA-N 0 3 422.378 2.748 40 0 HFABHN COC(=O)CSc1nnc(NC(=O)C2CCN(Cc3ccccc3C)CC2)s1 ZINC000222827389 568527593 /nfs/dbraw/zinc/52/75/93/568527593.db2.gz HLOXRGBQCFKVME-UHFFFAOYSA-N 0 3 420.560 2.962 40 0 HFABHN c1ccc(CN2CCCN(c3nc4c(c(N5CCOCC5)n3)CCCC4)CC2)cc1 ZINC000026456238 568549677 /nfs/dbraw/zinc/54/96/77/568549677.db2.gz ZWEABKOBBNJTJB-UHFFFAOYSA-N 0 3 407.562 2.904 40 0 HFABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000223685605 568556203 /nfs/dbraw/zinc/55/62/03/568556203.db2.gz HPMQOKBURCNNPO-LJQANCHMSA-N 0 3 419.591 2.919 40 0 HFABHN O=C(c1ccc2c(c1)OCO2)N1CCO[C@@]2(CCCC[C@@H]2NCc2cccnc2)C1 ZINC000306130000 568892497 /nfs/dbraw/zinc/89/24/97/568892497.db2.gz ITRDMNMLAGMEKL-GMAHTHKFSA-N 0 3 409.486 2.754 40 0 HFABHN COc1ncccc1CN1CCC2(CC1)CN(C)Cc1nnc(-c3cccs3)n12 ZINC000306132242 568894455 /nfs/dbraw/zinc/89/44/55/568894455.db2.gz LCSLWMWARMKQEW-UHFFFAOYSA-N 0 3 410.547 2.847 40 0 HFABHN CC[C@@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3ccccc3F)CC1)COC2 ZINC000306136549 568898434 /nfs/dbraw/zinc/89/84/34/568898434.db2.gz PWLMAOHVSHJTRQ-MRXNPFEDSA-N 0 3 415.513 2.758 40 0 HFABHN COc1ccc(-c2nnc3n2C2(CCN(Cc4cccnc4)CC2)CN(C)C3)cc1 ZINC000306137837 568899563 /nfs/dbraw/zinc/89/95/63/568899563.db2.gz RHTJXBADBTWBJN-UHFFFAOYSA-N 0 3 404.518 2.785 40 0 HFABHN O=C1N(Cc2cccnc2)CCO[C@@]12CN(Cc1cccs1)C[C@H]2c1cccnc1 ZINC000306138238 568900239 /nfs/dbraw/zinc/90/02/39/568900239.db2.gz RSXRIJIMUMDSEM-JTHBVZDNSA-N 0 3 420.538 2.935 40 0 HFABHN Cc1ccc(CN2C[C@@H]3CCn4c(C(=O)NCc5ccc(F)cc5)nnc4[C@H]3C2)o1 ZINC000306138960 568900779 /nfs/dbraw/zinc/90/07/79/568900779.db2.gz SLTKCMBPEBTNIK-LPHOPBHVSA-N 0 3 409.465 2.868 40 0 HFABHN CN1Cc2nnc(-c3ccco3)n2C2(CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000306139925 568901900 /nfs/dbraw/zinc/90/19/00/568901900.db2.gz UEEBJBLMWRVEDJ-UHFFFAOYSA-N 0 3 407.474 2.704 40 0 HFABHN CN(C)CCNc1nc(Nc2ccccc2Br)cc(-c2ccccn2)n1 ZINC000328958425 568969746 /nfs/dbraw/zinc/96/97/46/568969746.db2.gz ANXPYLAANSZLSV-UHFFFAOYSA-N 0 3 413.323 2.862 40 0 HFABHN Cc1nc(NC2CCCCC2)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1 ZINC000328966311 568970138 /nfs/dbraw/zinc/97/01/38/568970138.db2.gz CLDSKNCLKGEWHT-UHFFFAOYSA-N 0 3 401.536 2.740 40 0 HFABHN COC[C@@]1(CN)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000242701539 568970171 /nfs/dbraw/zinc/97/01/71/568970171.db2.gz WHDXJJAXFNAVHT-KZNAEPCWSA-N 0 3 410.333 2.980 40 0 HFABHN CCN(CC)CC(=O)N1CCO[C@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 ZINC000019692641 569346097 /nfs/dbraw/zinc/34/60/97/569346097.db2.gz AEXKJDPGIJWXKK-IBGZPJMESA-N 0 3 415.513 2.590 40 0 HFABHN CCc1cc(N2CCc3ccc(Br)cc3C2)nc(NCCN(C)C)n1 ZINC000329072404 571309712 /nfs/dbraw/zinc/30/97/12/571309712.db2.gz ZXQIJZIYAUIWPR-UHFFFAOYSA-N 0 3 404.356 3.338 40 0 HFABHN Cc1nc([N-]c2nccnc2C2CCN(C(=O)/C=C/C[NH+](C)C)CC2)sc1C ZINC000585292538 571309915 /nfs/dbraw/zinc/30/99/15/571309915.db2.gz OHYKPSUMNIJMHR-AATRIKPKSA-N 0 3 400.552 3.117 40 0 HFABHN COc1cc(Br)c2c3c1O[C@H]1C4(CC[C@@H]5[C@@H](C2)N(C)CC[C@]315)OCCO4 ZINC000096316249 291222942 /nfs/dbraw/zinc/22/29/42/291222942.db2.gz ZABOYUCAGYOXEK-VOQHCJDSSA-N 0 3 422.319 2.870 40 0 biogenic,in-vitro HFABHN O=C(NCc1ccccc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 ZINC000008298228 291228305 /nfs/dbraw/zinc/22/83/05/291228305.db2.gz KDGQUQJDFJBFNN-VSKRKVRLSA-N 0 3 401.514 2.972 40 0 biogenic,in-vitro HFABHN CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)[C@H](N)Cc3ccccc3)CC2)C1 ZINC000072394766 519637856 /nfs/dbraw/zinc/63/78/56/519637856.db2.gz RICIDVOPHLKHEU-RCZVLFRGSA-N 0 3 421.541 2.749 40 0 HFABHN Cc1ccc(N2C(=O)C[C@@H](NCC3CCN(c4nc(C)cc(C)n4)CC3)C2=O)cc1 ZINC000004772625 557596711 /nfs/dbraw/zinc/59/67/11/557596711.db2.gz ZMPQFRUYXHXLCJ-HXUWFJFHSA-N 0 3 407.518 2.540 40 0 HFABHN O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCCN1CCCCC1 ZINC000408702244 557729262 /nfs/dbraw/zinc/72/92/62/557729262.db2.gz AJVWLRKPOATCDI-UHFFFAOYSA-N 0 3 401.532 2.731 40 0 HFABHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000019819079 558289050 /nfs/dbraw/zinc/28/90/50/558289050.db2.gz FNXKPPAVNNLRBA-KRWDZBQOSA-N 0 3 422.437 2.896 40 0 HFABHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000019819081 558289138 /nfs/dbraw/zinc/28/91/38/558289138.db2.gz FNXKPPAVNNLRBA-QGZVFWFLSA-N 0 3 422.437 2.896 40 0 HFABHN COc1ccc2c(c1)c([C@H](O)CN1CCC(O)(Cn3ccnc3C)CC1)c(C)n2C ZINC000012143551 558335395 /nfs/dbraw/zinc/33/53/95/558335395.db2.gz OATYPWHXDRKOAG-OAQYLSRUSA-N 0 3 412.534 2.561 40 0 HFABHN COc1ccc(C)cc1CN1C[C@H]2CCC[C@@H](C1)C2(O)c1cnc(OC)nc1OC ZINC000019133245 558845803 /nfs/dbraw/zinc/84/58/03/558845803.db2.gz IWMCAEZBDSQUDO-NHJWOMDBSA-N 0 3 413.518 2.931 40 0 HFABHN CCS(=O)(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCC(C)CC2)CC3)C1 ZINC000019520310 558901286 /nfs/dbraw/zinc/90/12/86/558901286.db2.gz WTPGNTWKGYLFRW-CGZBRXJRSA-N 0 3 422.595 2.648 40 0 HFABHN CCS(=O)(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)C[N@H+](C2CCC(C)CC2)CC3)C1 ZINC000019520310 558901288 /nfs/dbraw/zinc/90/12/88/558901288.db2.gz WTPGNTWKGYLFRW-CGZBRXJRSA-N 0 3 422.595 2.648 40 0 HFABHN COc1cc(C[N@@H+]2CC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc(OC)c1OC ZINC000019549678 558914394 /nfs/dbraw/zinc/91/43/94/558914394.db2.gz ZMNUOPXOPGGOGF-QGZVFWFLSA-N 0 3 422.485 2.847 40 0 HFABHN COc1cc(C[N@H+]2CC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc(OC)c1OC ZINC000019549678 558914397 /nfs/dbraw/zinc/91/43/97/558914397.db2.gz ZMNUOPXOPGGOGF-QGZVFWFLSA-N 0 3 422.485 2.847 40 0 HFABHN COc1ccc(CN2CCC(CNC(=O)[C@H]3CCCN(c4cnccn4)C3)CC2)cc1 ZINC000072347702 558944688 /nfs/dbraw/zinc/94/46/88/558944688.db2.gz YVOHAUVVGHXCAP-NRFANRHFSA-N 0 3 423.561 2.730 40 0 HFABHN CN(C)[C@H](CNC(=O)c1ccnc(N2CCN(C)CC2)c1)c1cccc(Cl)c1 ZINC000019654646 558947966 /nfs/dbraw/zinc/94/79/66/558947966.db2.gz DEPWIMCQXDQQBK-LJQANCHMSA-N 0 3 401.942 2.520 40 0 HFABHN CC1(C)C(=O)NCCN1C(=O)c1ccc([C@H]2CCCN(Cc3ccccc3F)C2)nc1 ZINC000019705986 558968559 /nfs/dbraw/zinc/96/85/59/558968559.db2.gz CPTYUSITVHRPCY-IBGZPJMESA-N 0 3 424.520 2.951 40 0 HFABHN Cc1nonc1CN(C)C(=O)c1ccc([C@@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000019706036 558968670 /nfs/dbraw/zinc/96/86/70/558968670.db2.gz JTBWUBLNOVWRCU-GOSISDBHSA-N 0 3 406.490 2.820 40 0 HFABHN Cc1c(CN2CCC[C@]3(CCC(=O)N3CC(=O)NC(C)C)CC2)nc2ccccn12 ZINC000585100765 559024133 /nfs/dbraw/zinc/02/41/33/559024133.db2.gz VSYXGUZULFTZHV-QHCPKHFHSA-N 0 3 411.550 2.514 40 0 HFABHN Cc1cc(CN2C[C@H]3c4ccccc4[C@@H](NC(=O)CC4CCOCC4)[C@H]3C2)n(C)n1 ZINC000585109719 559029445 /nfs/dbraw/zinc/02/94/45/559029445.db2.gz LIYHNNSTPONNKU-WPFOTENUSA-N 0 3 408.546 2.932 40 0 HFABHN CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1CN(C(=O)c1ccoc1)CCC2 ZINC000096056086 559093837 /nfs/dbraw/zinc/09/38/37/559093837.db2.gz CHOKJTNKTBPSAM-XXBNENTESA-N 0 3 411.502 2.901 40 0 HFABHN CN(C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)c3cccn3C)CC2)c2ccccc21 ZINC000096079498 559094740 /nfs/dbraw/zinc/09/47/40/559094740.db2.gz DSTAYZFUVFRKGA-LJQANCHMSA-N 0 3 422.573 2.754 40 0 HFABHN O[C@]1(CNCc2ccc(OCc3ccccn3)cc2)CCN(c2ccc(F)cn2)C1 ZINC000585270056 559116359 /nfs/dbraw/zinc/11/63/59/559116359.db2.gz CZSRVZMFFJJBQI-QHCPKHFHSA-N 0 3 408.477 2.926 40 0 HFABHN COc1cccc(OC[C@H](O)CN(C)Cc2ccc(OCCn3cccn3)cc2)c1 ZINC000585271188 559116576 /nfs/dbraw/zinc/11/65/76/559116576.db2.gz SYTFVFCBQWTIIU-HXUWFJFHSA-N 0 3 411.502 2.842 40 0 HFABHN O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CNCc2ccc(Cl)cc2)[C@@H](O)C1 ZINC000585291017 559123500 /nfs/dbraw/zinc/12/35/00/559123500.db2.gz ZIUJVDGETFVYEA-ICSRJNTNSA-N 0 3 409.313 2.721 40 0 HFABHN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N3CCNCC3)nc2)cc1 ZINC000072216321 559169350 /nfs/dbraw/zinc/16/93/50/559169350.db2.gz QKLSUOYWAILFJW-FQEVSTJZSA-N 0 3 400.548 2.716 40 0 HFABHN O[C@H]1CN(Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1N1CCC(F)(F)CC1 ZINC000257231916 559283981 /nfs/dbraw/zinc/28/39/81/559283981.db2.gz GIRIFTWBQIDOTC-SFTDATJTSA-N 0 3 403.473 2.937 40 0 HFABHN O=C(Nc1ccccc1)[C@H]1O[C@H](CCN2CCN(c3ccccc3)CC2)CC[C@@H]1O ZINC000030879020 560090091 /nfs/dbraw/zinc/09/00/91/560090091.db2.gz YWTKVIWZJRZBHM-VABKMULXSA-N 0 3 409.530 2.746 40 0 biogenic,in-vitro HFABHN Cc1cc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=S)NC[C@H]3CCCO3)cc2c1 ZINC000004133504 560600492 /nfs/dbraw/zinc/60/04/92/560600492.db2.gz BKKDVHUQPXCGAB-LJQANCHMSA-N 0 3 416.591 2.562 40 0 HFABHN Cc1ccccc1N(CC(=O)NCCN(C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000010111626 560779713 /nfs/dbraw/zinc/77/97/13/560779713.db2.gz HIVTVYDSMQZVNB-UHFFFAOYSA-N 0 3 409.939 2.522 40 0 HFABHN CC[C@@H](C(=O)NC1CCN(C)CC1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220706624 568508457 /nfs/dbraw/zinc/50/84/57/568508457.db2.gz XPTNCIHOGXJERY-INIZCTEOSA-N 0 3 422.378 2.748 40 0 HFABHN CN1CCC(NC(=O)CCCN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)CC1 ZINC000222383259 568515052 /nfs/dbraw/zinc/51/50/52/568515052.db2.gz KUTBZRAAFGVSMK-UHFFFAOYSA-N 0 3 422.378 2.750 40 0 HFABHN CN(c1ccc(C(=O)NCCN2CCCCC2)cc1)S(=O)(=O)c1cccs1 ZINC000026114155 568539931 /nfs/dbraw/zinc/53/99/31/568539931.db2.gz YFCDBANMTMJYAE-UHFFFAOYSA-N 0 3 407.561 2.789 40 0 HFABHN Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3CCN(C)CC3)c2)c1 ZINC000224143333 568571329 /nfs/dbraw/zinc/57/13/29/568571329.db2.gz ITOZXVWUPOTAFP-UHFFFAOYSA-N 0 3 401.532 2.644 40 0 HFABHN CSc1ccccc1CN1CC[C@@]2(C1)COCc1cnc(N3CCCC3=O)nc12 ZINC000247831745 568745888 /nfs/dbraw/zinc/74/58/88/568745888.db2.gz LLLADMLIHMYNKH-JOCHJYFZSA-N 0 3 410.543 2.999 40 0 HFABHN CN(C)C(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2ccccc2CN2CCCC2)C1 ZINC000257210696 568779379 /nfs/dbraw/zinc/77/93/79/568779379.db2.gz BVSWJMIRTRTHPC-RUZDIDTESA-N 0 3 420.557 2.940 40 0 HFABHN Cc1nc([C@@H]2CCN(Cc3ccc4c(c3)OCCO4)C2)nc(C)c1CC(=O)NC(C)C ZINC000257225832 568783692 /nfs/dbraw/zinc/78/36/92/568783692.db2.gz FIBLLUPFSPZSIE-LJQANCHMSA-N 0 3 424.545 2.921 40 0 HFABHN Cn1cnc(S(=O)(=O)N2[C@@H]3CCC[C@@H]4N(C)[C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)c1 ZINC000257268222 568795155 /nfs/dbraw/zinc/79/51/55/568795155.db2.gz MKTALKJXFCIEFY-UERWRGBPSA-N 0 3 414.575 2.667 40 0 HFABHN Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@](O)(CN(C)Cc2ccc(F)cc2)CC1 ZINC000257291906 568802060 /nfs/dbraw/zinc/80/20/60/568802060.db2.gz QJESIELQRNZORD-QFIPXVFZSA-N 0 3 402.514 2.584 40 0 HFABHN O=C(NCc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3cccc(F)c3)C[C@H]1C2 ZINC000306125482 568888410 /nfs/dbraw/zinc/88/84/10/568888410.db2.gz CSFQLXMSXQGMIU-RTBURBONSA-N 0 3 405.477 2.652 40 0 HFABHN Cc1ccc(CC(=O)N2CCCC3(CCN(C)CC3)[C@@H]2CNC(=O)NC(C)C)cc1 ZINC000306130682 568893072 /nfs/dbraw/zinc/89/30/72/568893072.db2.gz JMWUMAVYUADVDE-NRFANRHFSA-N 0 3 414.594 2.948 40 0 HFABHN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4scnc4C)C[C@H]2C3)cc1 ZINC000306138835 568900653 /nfs/dbraw/zinc/90/06/53/568900653.db2.gz SIRZFRUFOBEFLJ-CABCVRRESA-N 0 3 424.530 2.608 40 0 HFABHN Cc1ccc(CN2C[C@@H]3Cn4cc(C(=O)NC5CCCCC5)c(=O)nc4[C@H]3C2)s1 ZINC000306139696 568901611 /nfs/dbraw/zinc/90/16/11/568901611.db2.gz TXWHKQJVHSEQFR-QAPCUYQASA-N 0 3 412.559 2.905 40 0 HFABHN CC(C)(C)NC(=O)c1nnc2n1CC1(CCN(Cc3ccsc3)CC1)COC2 ZINC000306140107 568901854 /nfs/dbraw/zinc/90/18/54/568901854.db2.gz UJZLCXYORQXLOG-UHFFFAOYSA-N 0 3 403.552 2.681 40 0 HFABHN Cc1ncsc1CN1C[C@@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@@H]2C1 ZINC000306140987 568902783 /nfs/dbraw/zinc/90/27/83/568902783.db2.gz VIIWNZRPFCRWKK-KBPBESRZSA-N 0 3 412.494 2.739 40 0 HFABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218657692 568942799 /nfs/dbraw/zinc/94/27/99/568942799.db2.gz IDDWGOGVDCIUJZ-BBTUJRGHSA-N 0 3 420.506 2.988 40 0 HFABHN COC[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242701540 568970120 /nfs/dbraw/zinc/97/01/20/568970120.db2.gz WHDXJJAXFNAVHT-RCCFBDPRSA-N 0 3 410.333 2.980 40 0 HFABHN CN(C)CCNc1nc(Nc2ccccc2Br)cc(-c2ccncc2)n1 ZINC000329064728 568975333 /nfs/dbraw/zinc/97/53/33/568975333.db2.gz XMTOOJMOFPRAGO-UHFFFAOYSA-N 0 3 413.323 2.862 40 0 HFABHN Cc1nc([N-]c2nccnc2[C@H]2CCCN(C(=O)/C=C/C[NH+](C)C)C2)sc1C ZINC000585293103 571309890 /nfs/dbraw/zinc/30/98/90/571309890.db2.gz WWZHSOTZIOQMCO-BVBGJJFLSA-N 0 3 400.552 3.117 40 0 HFABHN O=C(Nc1nccs1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(COc2ccccc2)nn1 ZINC000008298399 291229455 /nfs/dbraw/zinc/22/94/55/291229455.db2.gz VYPAKJLQBQVCDY-SUMDDJOVSA-N 0 3 424.530 2.663 40 0 biogenic,in-vitro HFABHN CCN1CCC[C@@H]1CNC(=O)c1nn(C)c(NC(=O)c2ccccc2Cl)c1F ZINC000041070642 521639506 /nfs/dbraw/zinc/63/95/06/521639506.db2.gz WNTUSXSJYKZOTL-GFCCVEGCSA-N 0 3 407.877 2.679 40 0 HFABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc4c(c3)OCO4)cc2)CC1 ZINC000032126247 521698878 /nfs/dbraw/zinc/69/88/78/521698878.db2.gz JNBCVQPNSXQXRC-UHFFFAOYSA-N 0 3 412.515 2.684 40 0 HFABHN CN1CCC(CNS(=O)(=O)c2ccc3c(c2)[C@@H](NC(=O)C2CCCC2)CC3)CC1 ZINC000072345812 523765058 /nfs/dbraw/zinc/76/50/58/523765058.db2.gz HMSWTFKWFUZSHR-NRFANRHFSA-N 0 3 419.591 2.600 40 0 HFABHN COc1cc(C(=O)N[C@@H](COc2ccccc2)CN2CCCC2)cc(OC)c1OC ZINC000005639557 557666166 /nfs/dbraw/zinc/66/61/66/557666166.db2.gz QFSBWEZVTZCUPC-GOSISDBHSA-N 0 3 414.502 2.986 40 0 in-man HFABHN CC1CCN(CC(=O)N2CCC[C@@H](N(C)S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC000019749773 558269509 /nfs/dbraw/zinc/26/95/09/558269509.db2.gz KJLJUVCDSPXYEW-OAQYLSRUSA-N 0 3 421.607 2.561 40 0 HFABHN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCN(C)C)cc2)cc1 ZINC000013669891 558561505 /nfs/dbraw/zinc/56/15/05/558561505.db2.gz GPUYMWBRSPGABX-UHFFFAOYSA-N 0 3 407.561 2.525 40 0 HFABHN CC[C@@H](C(=O)NCCN1CCCCCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716857 558579751 /nfs/dbraw/zinc/57/97/51/558579751.db2.gz IKPAXLYVWXJVIM-FQEVSTJZSA-N 0 3 409.596 2.840 40 0 HFABHN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(CN2CCCC2)cc1 ZINC000030947472 558746807 /nfs/dbraw/zinc/74/68/07/558746807.db2.gz ZOVXSWMFLREONI-UHFFFAOYSA-N 0 3 413.543 2.736 40 0 HFABHN COc1ccc(CN2C[C@@H](c3cccc(C)n3)[C@]3(C2)CCCCC(=O)N3)cc1CO ZINC000019236379 558855600 /nfs/dbraw/zinc/85/56/00/558855600.db2.gz PEPOOQGIMNYVAW-GBXCKJPGSA-N 0 3 409.530 2.919 40 0 HFABHN O=C(C1CC1)N1CCc2nc([C@H]3CCCN(Cc4cccc(F)c4)C3)[nH]c(=O)c2C1 ZINC000019293840 558865455 /nfs/dbraw/zinc/86/54/55/558865455.db2.gz ZYZSNGVZCPTFKO-KRWDZBQOSA-N 0 3 410.493 2.583 40 0 HFABHN O=C(NCC1CC1)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019372469 558879770 /nfs/dbraw/zinc/87/97/70/558879770.db2.gz JSKWJDVPQGQSAL-SFTDATJTSA-N 0 3 405.546 2.819 40 0 HFABHN Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNC[C@@H]3COc4ccccc4O3)cc12 ZINC000057810340 558890636 /nfs/dbraw/zinc/89/06/36/558890636.db2.gz VYASZLDZUZCACK-GOSISDBHSA-N 0 3 402.454 2.952 40 0 HFABHN CCCC(=O)N1CCc2nc([C@@H]3CCCN(Cc4cccc(F)c4)C3)[nH]c(=O)c2C1 ZINC000019501588 558899654 /nfs/dbraw/zinc/89/96/54/558899654.db2.gz SUACVJNWEBKHOL-QGZVFWFLSA-N 0 3 412.509 2.973 40 0 HFABHN CCN(CC)c1ncc2c(cc(C3CCN(Cc4cnn(C)c4C)CC3)[nH]c2=O)n1 ZINC000019526561 558907942 /nfs/dbraw/zinc/90/79/42/558907942.db2.gz KOWFFLGIWRMUPA-UHFFFAOYSA-N 0 3 409.538 2.998 40 0 HFABHN CCN1CCC(n2nccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 ZINC000019527049 558908143 /nfs/dbraw/zinc/90/81/43/558908143.db2.gz UIDQIAHWGHLXIV-MRXNPFEDSA-N 0 3 411.506 2.540 40 0 HFABHN COc1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)cc(OC)c1OC ZINC000019549912 558914692 /nfs/dbraw/zinc/91/46/92/558914692.db2.gz WXDFIGXAAMIAFP-QHAWAJNXSA-N 0 3 412.530 2.575 40 0 HFABHN O[C@]1(c2ccc(F)cc2)CC[C@@H]2CN(Cc3ccnc(N4CCSCC4)n3)C[C@@H]21 ZINC000072340411 558939094 /nfs/dbraw/zinc/93/90/94/558939094.db2.gz YBHWXJHFJDQWKG-BUVFEPMLSA-N 0 3 414.550 2.899 40 0 HFABHN COc1ccccc1OCCc1cc([C@H]2CCN(Cc3cnc(N(C)C)nc3)C2)n[nH]1 ZINC000072371485 558958438 /nfs/dbraw/zinc/95/84/38/558958438.db2.gz YRDSMZQEAZLZOY-SFHVURJKSA-N 0 3 422.533 2.885 40 0 HFABHN COc1ccccc1OCCc1cc([C@H]2CCN(Cc3cnc(N(C)C)nc3)C2)[nH]n1 ZINC000072371485 558958439 /nfs/dbraw/zinc/95/84/39/558958439.db2.gz YRDSMZQEAZLZOY-SFHVURJKSA-N 0 3 422.533 2.885 40 0 HFABHN O=C(CNC(=O)c1ccc([C@@H]2CCCN(Cc3ccccn3)C2)nc1)N1CCCCC1 ZINC000019705991 558968448 /nfs/dbraw/zinc/96/84/48/558968448.db2.gz PTESNEHGPCGJKW-HXUWFJFHSA-N 0 3 421.545 2.599 40 0 HFABHN CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccc(F)cc3)CC2)O1 ZINC000096036872 559090673 /nfs/dbraw/zinc/09/06/73/559090673.db2.gz RJJBUGYOINNFHW-LJQANCHMSA-N 0 3 400.498 2.781 40 0 HFABHN O=S(=O)(c1ccccc1)N1C[C@H]2CN(C3CCN(Cc4ccccc4)CC3)[C@H]2C1 ZINC000096090575 559095174 /nfs/dbraw/zinc/09/51/74/559095174.db2.gz BJOQEGDXVHMAMJ-REWPJTCUSA-N 0 3 411.571 2.656 40 0 HFABHN Cc1cc(O[C@H]2CN(Cc3ccc(OCCOCCO)cc3)C[C@@H]2O)cc(C)c1C ZINC000585268710 559113536 /nfs/dbraw/zinc/11/35/36/559113536.db2.gz LJVLDBZSKOBYOV-ZEQRLZLVSA-N 0 3 415.530 2.624 40 0 HFABHN COCC(=O)N1CCN(C2CCCCC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282746 559120237 /nfs/dbraw/zinc/12/02/37/559120237.db2.gz NITSQZMEZPKXNZ-HSZRJFAPSA-N 0 3 404.551 2.537 40 0 HFABHN CN(Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)[C@@H]3Cc4ccccc4O3)C2)OC1 ZINC000575403345 560546862 /nfs/dbraw/zinc/54/68/62/560546862.db2.gz IJDBNMKEDOCCEK-KNQAVFIVSA-N 0 3 407.514 2.525 40 0 HFABHN O=C(Nc1ccccc1)NC1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000004967384 560622142 /nfs/dbraw/zinc/62/21/42/560622142.db2.gz KDCCBRGOGBCOBT-UHFFFAOYSA-N 0 3 406.486 2.959 40 0 HFABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccccc2Cl)[C@@H]1Cc1ccnc(-c2cccnc2)n1 ZINC000604382037 568489432 /nfs/dbraw/zinc/48/94/32/568489432.db2.gz AEPXVVGSWLYBQJ-UGESXGAOSA-N 0 3 424.932 2.882 40 0 biogenic,in-vitro HFABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 ZINC000223260761 568543222 /nfs/dbraw/zinc/54/32/22/568543222.db2.gz LKZZYBJLOSNISL-RTWAWAEBSA-N 0 3 406.559 2.861 40 0 HFABHN Cc1ccc(C(=O)NCCN(C)C)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224319044 568577712 /nfs/dbraw/zinc/57/77/12/568577712.db2.gz RUIMFMHVQDWGGA-UHFFFAOYSA-N 0 3 409.939 2.765 40 0 HFABHN CC1(C)Cc2cc(CN3CCC[C@H](c4n[nH]cc4C(=O)N4CCOCC4)C3)ccc2O1 ZINC000257243248 568788324 /nfs/dbraw/zinc/78/83/24/568788324.db2.gz IGBCHTKVGWVEMZ-SFHVURJKSA-N 0 3 424.545 2.975 40 0 HFABHN O=C(CN1CCCC1)N1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000257247908 568789767 /nfs/dbraw/zinc/78/97/67/568789767.db2.gz JBCPERMBGIRNDB-HXUWFJFHSA-N 0 3 418.925 2.680 40 0 HFABHN CC(=O)NCCn1nc([C@@H]2CCCN(Cc3c[nH]nc3C(C)(C)C)C2)c2cccnc21 ZINC000257274295 568796986 /nfs/dbraw/zinc/79/69/86/568796986.db2.gz NKKBGGRXSCTSPA-QGZVFWFLSA-N 0 3 423.565 2.968 40 0 HFABHN O=C(CN1CCC(CCc2ccnc(NC(=O)c3ccccn3)c2)CC1)N1CCCC1 ZINC000257323374 568811206 /nfs/dbraw/zinc/81/12/06/568811206.db2.gz WJXIVNKHVGJYQZ-UHFFFAOYSA-N 0 3 421.545 2.996 40 0 HFABHN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4cccc(F)c4)C[C@H]2C3)cc1 ZINC000306124184 568887236 /nfs/dbraw/zinc/88/72/36/568887236.db2.gz BIQKRLOSIWIFIY-IAGOWNOFSA-N 0 3 421.476 2.982 40 0 HFABHN COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CCN(Cc3cccs3)CC2)C1 ZINC000306125749 568888360 /nfs/dbraw/zinc/88/83/60/568888360.db2.gz DBEHJKDBIXVDEG-UHFFFAOYSA-N 0 3 424.530 2.975 40 0 HFABHN CC(C)(C)NC(=O)c1nnc2n1CC1(CCN(Cc3ccc(F)cc3)CC1)COC2 ZINC000306126450 568889235 /nfs/dbraw/zinc/88/92/35/568889235.db2.gz DWGDMHVJIUOBAD-UHFFFAOYSA-N 0 3 415.513 2.758 40 0 HFABHN COCCC(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 ZINC000306129034 568891663 /nfs/dbraw/zinc/89/16/63/568891663.db2.gz HSCUAPIUGPWZOC-UHFFFAOYSA-N 0 3 424.545 2.893 40 0 HFABHN C[C@H]1CCCCN1C(=O)c1nnc2n1CCN(C)C21CCN(Cc2ccccc2)CC1 ZINC000306129236 568891880 /nfs/dbraw/zinc/89/18/80/568891880.db2.gz HYDPXCBWEZMNIN-IBGZPJMESA-N 0 3 422.577 2.729 40 0 HFABHN Cc1ccc(CN2CCC3(CC2)COCc2nnc(C(=O)NC(C)(C)C)n2C3)s1 ZINC000306137308 568899163 /nfs/dbraw/zinc/89/91/63/568899163.db2.gz QSHOULAZEQWQEC-UHFFFAOYSA-N 0 3 417.579 2.989 40 0 HFABHN CCn1cc(CN2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)cn1 ZINC000306138786 568900556 /nfs/dbraw/zinc/90/05/56/568900556.db2.gz SHNJHNGWUCIZQU-NZQKXSOJSA-N 0 3 410.566 2.909 40 0 HFABHN COc1ccc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(CC2CC2)C3=O)cc1 ZINC000306144173 568905682 /nfs/dbraw/zinc/90/56/82/568905682.db2.gz YXZUJLWGJQNHFF-UPVQGACJSA-N 0 3 407.514 2.697 40 0 HFABHN Cc1nnc(CCC(=O)N2CCO[C@]3(CCCC[C@@H]3NCc3cccnc3)C2)s1 ZINC000306144491 568905847 /nfs/dbraw/zinc/90/58/47/568905847.db2.gz ZGNOAGAZCVTYKD-GHTZIAJQSA-N 0 3 415.563 2.504 40 0 HFABHN Cc1nnc(CCC(=O)N2CCO[C@@]3(CCCC[C@@H]3NCc3cccnc3)C2)s1 ZINC000306144493 568905854 /nfs/dbraw/zinc/90/58/54/568905854.db2.gz ZGNOAGAZCVTYKD-RXVVDRJESA-N 0 3 415.563 2.504 40 0 HFABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218119101 568926130 /nfs/dbraw/zinc/92/61/30/568926130.db2.gz FBULYROZECUSEK-CMKODMSKSA-N 0 3 423.918 2.797 40 0 HFABHN CCOC[C@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218181511 568927272 /nfs/dbraw/zinc/92/72/72/568927272.db2.gz WITKHYUWSAJNMU-HSALFYBXSA-N 0 3 423.918 2.990 40 0 HFABHN CN(C)CCNc1nc(Nc2ccc(F)cc2Br)cc(C(F)(F)F)n1 ZINC000329002149 568971997 /nfs/dbraw/zinc/97/19/97/568971997.db2.gz KFYFYBVLWMBOEA-UHFFFAOYSA-N 0 3 422.224 2.958 40 0 HFABHN CCOC(=O)C1C(CN2CCCC[C@H]2C)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000245229692 569313789 /nfs/dbraw/zinc/31/37/89/569313789.db2.gz DDRDDUOQMUYICI-VLIAUNLRSA-N 0 3 417.506 2.749 40 0 HFABHN COc1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(C)C(=O)C1S(=O)(=O)c1ccc(C)cc1 ZINC000004315573 569323202 /nfs/dbraw/zinc/32/32/02/569323202.db2.gz ZTJMAPIREAQVAV-CUWPLCDZSA-N 0 3 401.484 2.900 40 0 HFABHN CNCc1cc(N(C)C)nc([C@@H]2CCCN(C(=O)CCc3ccccc3OC)C2)n1 ZINC000019709623 569428837 /nfs/dbraw/zinc/42/88/37/569428837.db2.gz NSPFMJZWBHNFFB-GOSISDBHSA-N 0 3 411.550 2.609 40 0 HFABHN CCc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(NCCN(C)C)n1 ZINC000329013616 571309784 /nfs/dbraw/zinc/30/97/84/571309784.db2.gz MRNLLNMFLOHWFZ-UHFFFAOYSA-N 0 3 409.456 3.474 40 0 HFABHN COc1ccccc1-c1cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)NC(C)C)n(C)n1 ZINC000012602010 291225669 /nfs/dbraw/zinc/22/56/69/291225669.db2.gz DHSIUMPLYCJUBT-SCTDSRPQSA-N 0 3 411.550 2.981 40 0 biogenic,in-vitro HFABHN Cn1cc(CN[C@@H]2[C@@H](c3ccc(C(F)(F)F)nc3)C[C@@H](O)[C@H]2O)c2ccccc21 ZINC000077261969 291227451 /nfs/dbraw/zinc/22/74/51/291227451.db2.gz JTPYGZDVXQLFBY-RARDXLECSA-N 0 3 405.420 2.960 40 0 biogenic,in-vitro HFABHN O=C(Nc1ccccc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(C2(O)CCCCC2)nn1 ZINC000008298328 291229245 /nfs/dbraw/zinc/22/92/45/291229245.db2.gz MQPNCVVPGQCVFK-RLLQIKCJSA-N 0 3 409.534 2.779 40 0 biogenic,in-vitro HFABHN c1nc2n(c1-c1ccc3c(c1)OCO3)C[C@H](CNCc1ccc3c(c1)OCO3)OC2 ZINC000096269341 291230633 /nfs/dbraw/zinc/23/06/33/291230633.db2.gz HHAQMWAPALAYGD-INIZCTEOSA-N 0 3 407.426 2.696 40 0 biogenic,in-vitro HFABHN CCCS(=O)(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(Cc2ccc(F)cc2)C1 ZINC000020503588 520539920 /nfs/dbraw/zinc/53/99/20/520539920.db2.gz KBVUUTDALNTTOV-DLBZAZTESA-N 0 3 419.522 2.758 40 0 biogenic,in-vitro HFABHN O=C(CCN1CC[C@]23c4c5c(O)ccc4C[C@H]1[C@H]2C=C[C@@H](O)[C@H]3O5)c1ccccc1 ZINC000005495696 557657728 /nfs/dbraw/zinc/65/77/28/557657728.db2.gz WPQGFQRTZVKRLK-LAPCYIMJSA-N 0 3 403.478 2.841 40 0 HFABHN CN1CN(c2ccccc2)C2(CCN(CC[C@H]3COc4ccccc4O3)CC2)C1=O ZINC000005549765 557660879 /nfs/dbraw/zinc/66/08/79/557660879.db2.gz VTJGTOAUDCODNK-FQEVSTJZSA-N 0 3 407.514 2.987 40 0 HFABHN COc1cc(CNCCCSc2nnnn2-c2ccccc2)cc(OC)c1OC ZINC000007541376 557746341 /nfs/dbraw/zinc/74/63/41/557746341.db2.gz KMAHCXNDOPESCO-UHFFFAOYSA-N 0 3 415.519 2.960 40 0 HFABHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc2c(c1)OCO2 ZINC000019819059 558289071 /nfs/dbraw/zinc/28/90/71/558289071.db2.gz YCVQFSFFXJEZFE-INIZCTEOSA-N 0 3 408.410 2.854 40 0 HFABHN N[C@@H](Cc1ccccc1)C(=O)N1CCC(O)(Cn2ccc3nc(Cl)ccc32)CC1 ZINC000012163242 558342025 /nfs/dbraw/zinc/34/20/25/558342025.db2.gz SONSAXIEGKMHLK-KRWDZBQOSA-N 0 3 412.921 2.613 40 0 HFABHN Oc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)OCCO4)CC1)O2 ZINC000012329363 558384035 /nfs/dbraw/zinc/38/40/35/558384035.db2.gz HXWDHHGYIQZJAL-RBUKOAKNSA-N 0 3 413.470 2.548 40 0 HFABHN CN(C)CCNC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000013649201 558557881 /nfs/dbraw/zinc/55/78/81/558557881.db2.gz VMSAWJDMXPDXRF-UHFFFAOYSA-N 0 3 409.939 2.598 40 0 HFABHN C[C@@H](C(=O)N1CCNC(=O)[C@H](Cc2ccccc2-c2ccncc2)C1)N1CCCCC1 ZINC000019079215 558838823 /nfs/dbraw/zinc/83/88/23/558838823.db2.gz GLVGSWVHYNAPSC-SIKLNZKXSA-N 0 3 420.557 2.740 40 0 HFABHN C/C(Cl)=C/CNC(=O)CN1CC2(CCN(C)CC2)Oc2ccc(C)cc2C1=O ZINC000019218558 558851217 /nfs/dbraw/zinc/85/12/17/558851217.db2.gz OMUDNXWRMUGAHV-SOFYXZRVSA-N 0 3 405.926 2.553 40 0 HFABHN O=C(C1CCC1)N1CCc2c(=O)[nH]c([C@@H]3CCN(Cc4ccccc4F)C3)nc2C1 ZINC000019348842 558874577 /nfs/dbraw/zinc/87/45/77/558874577.db2.gz JSJGFEOIVPEKRP-QGZVFWFLSA-N 0 3 410.493 2.583 40 0 HFABHN CCN1CCC(n2nccc2NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 ZINC000019527048 558908065 /nfs/dbraw/zinc/90/80/65/558908065.db2.gz UIDQIAHWGHLXIV-INIZCTEOSA-N 0 3 411.506 2.540 40 0 HFABHN COc1ccccc1OCCc1cc([C@@H]2CCN(Cc3cnc(N(C)C)nc3)C2)n[nH]1 ZINC000072371486 558958383 /nfs/dbraw/zinc/95/83/83/558958383.db2.gz YRDSMZQEAZLZOY-GOSISDBHSA-N 0 3 422.533 2.885 40 0 HFABHN COc1ccccc1OCCc1cc([C@@H]2CCN(Cc3cnc(N(C)C)nc3)C2)[nH]n1 ZINC000072371486 558958384 /nfs/dbraw/zinc/95/83/84/558958384.db2.gz YRDSMZQEAZLZOY-GOSISDBHSA-N 0 3 422.533 2.885 40 0 HFABHN CC(C)CN1C[C@]2(CC1=O)COCCN(Cc1ccc(-c3csnn3)cc1)C2 ZINC000585103249 559026555 /nfs/dbraw/zinc/02/65/55/559026555.db2.gz APTONOXBOMNECJ-OAQYLSRUSA-N 0 3 400.548 2.912 40 0 HFABHN CN(C)CCN1CCOC[C@]2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 ZINC000096076355 559094607 /nfs/dbraw/zinc/09/46/07/559094607.db2.gz PLGYUZBNKKWWHY-XMMPIXPASA-N 0 3 410.562 2.594 40 0 HFABHN CN(C)[C@H]1CCN(C(=O)c2ccn(-c3ccc4ccc(-c5ccncc5)cn43)n2)C1 ZINC000096155377 559099594 /nfs/dbraw/zinc/09/95/94/559099594.db2.gz DRPICHCODOQBCH-FQEVSTJZSA-N 0 3 400.486 2.963 40 0 HFABHN O=C(c1ccccc1CN1CCCCC1)N1C[C@H](O)[C@@H](N2CCc3ccccc3C2)C1 ZINC000585261877 559109524 /nfs/dbraw/zinc/10/95/24/559109524.db2.gz HLNTWOWMCCMDBT-DQEYMECFSA-N 0 3 419.569 2.916 40 0 HFABHN CCOc1ccccc1OC[C@@H](O)CN(C)Cc1ccc(OC)c(OCCOC)c1 ZINC000585269961 559116198 /nfs/dbraw/zinc/11/61/98/559116198.db2.gz RCAQNXUCJQNKIH-IBGZPJMESA-N 0 3 419.518 2.991 40 0 HFABHN CCN1CC[C@@]2(CN(c3ncccn3)CC23CCN(Cc2ccc(F)cc2)CC3)C1=O ZINC000097952896 559125075 /nfs/dbraw/zinc/12/50/75/559125075.db2.gz JTNDTMHAIZURLQ-XMMPIXPASA-N 0 3 423.536 2.957 40 0 HFABHN Cc1cc(C)nc(Nc2cc(CC3CCN(C(=O)/C=C/CN(C)C)CC3)ncn2)n1 ZINC000585293131 559125618 /nfs/dbraw/zinc/12/56/18/559125618.db2.gz XTHGNXHJIOEUQG-AATRIKPKSA-N 0 3 409.538 2.526 40 0 HFABHN Cc1cc(C)nc(Nc2cc([C@@H]3CCCN(C(=O)/C=C/CN(C)C)C3)nc(C)n2)n1 ZINC000585293112 559125643 /nfs/dbraw/zinc/12/56/43/559125643.db2.gz XAJPIHYBYJALRI-PDFOZTTASA-N 0 3 409.538 2.759 40 0 HFABHN CN(Cc1ccc(OCc2ccccn2)cc1)C[C@]1(O)CCCN(c2cnccn2)C1 ZINC000257241904 559284191 /nfs/dbraw/zinc/28/41/91/559284191.db2.gz IAEBQSOXVVMAHC-XMMPIXPASA-N 0 3 419.529 2.914 40 0 HFABHN O=C(NCc1cccnc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 ZINC000008254221 560107898 /nfs/dbraw/zinc/10/78/98/560107898.db2.gz HAYDXWNACVCRHA-MZYLBHOOSA-N 0 3 422.577 2.823 40 0 biogenic,in-vitro HFABHN COc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCc3ccco3)cc2c1 ZINC000004133584 560600606 /nfs/dbraw/zinc/60/06/06/560600606.db2.gz BQKFRBHRLIYZKF-UHFFFAOYSA-N 0 3 414.531 2.568 40 0 HFABHN COc1ccc(NC(=O)NC2(C(=O)N3CCN4CCC[C@H]4C3)CCCCC2)cc1 ZINC000004982006 560623095 /nfs/dbraw/zinc/62/30/95/560623095.db2.gz RLRWWQUCRQGFIR-SFHVURJKSA-N 0 3 400.523 2.826 40 0 HFABHN CC[C@H](C(=O)NC1CCN(C)CC1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220706687 568508502 /nfs/dbraw/zinc/50/85/02/568508502.db2.gz XPTNCIHOGXJERY-MRXNPFEDSA-N 0 3 422.378 2.748 40 0 HFABHN Cc1cccc(C)c1N(Cc1ccc(C(=O)NCCN(C)C)cc1)S(C)(=O)=O ZINC000222547512 568517940 /nfs/dbraw/zinc/51/79/40/568517940.db2.gz CKPAIFPWAFICJE-UHFFFAOYSA-N 0 3 403.548 2.561 40 0 HFABHN CC1CCN(CC(=O)N2CCC(COc3ccc(Cl)cc3)(CC(N)=O)CC2)CC1 ZINC000257229013 568784450 /nfs/dbraw/zinc/78/44/50/568784450.db2.gz FWGADNNWORYQJF-UHFFFAOYSA-N 0 3 421.969 2.935 40 0 HFABHN CN(C)CCN(CCO)C(=O)c1ccc2c(c1)C[C@@](C)(Cc1ccccc1F)O2 ZINC000257269355 568795383 /nfs/dbraw/zinc/79/53/83/568795383.db2.gz MPQDOBBZMZGIFK-HSZRJFAPSA-N 0 3 400.494 2.758 40 0 HFABHN O=C(c1c[nH]nc1[C@H]1CCCN(Cc2ccnc3ccccc23)C1)N1CCOCC1 ZINC000257286823 568800732 /nfs/dbraw/zinc/80/07/32/568800732.db2.gz PNEWNRPQTDHETD-SFHVURJKSA-N 0 3 405.502 2.810 40 0 HFABHN C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1cc(=O)[n-]c(N)n1)[C@H]2Cc1ccccc1 ZINC000257307243 568806687 /nfs/dbraw/zinc/80/66/87/568806687.db2.gz SXVCQRSOQJEVJE-VOSKCVMKSA-N 0 3 421.545 2.853 40 0 HFABHN C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1cc(=O)[n-]c(N)n1)[C@H]2Cc1ccccc1 ZINC000257307243 568806690 /nfs/dbraw/zinc/80/66/90/568806690.db2.gz SXVCQRSOQJEVJE-VOSKCVMKSA-N 0 3 421.545 2.853 40 0 HFABHN COc1ccc(CN(C)C[C@@]2(O)CCCN(C(=O)CC3(O)CCCCC3)CC2)cc1 ZINC000257329793 568813065 /nfs/dbraw/zinc/81/30/65/568813065.db2.gz XLOHRFBLJFGGAD-XMMPIXPASA-N 0 3 418.578 2.956 40 0 HFABHN CN(C)CCOc1ccc(C(=O)N2CC[C@](C)(O)[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000257338647 568815653 /nfs/dbraw/zinc/81/56/53/568815653.db2.gz YYINBNAPRVUJNX-GMAHTHKFSA-N 0 3 416.493 2.811 40 0 HFABHN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4cccc(F)c4)C[C@H]2C3)cc1 ZINC000306124186 568887281 /nfs/dbraw/zinc/88/72/81/568887281.db2.gz BIQKRLOSIWIFIY-SJORKVTESA-N 0 3 421.476 2.982 40 0 HFABHN Cc1ncsc1CN1CCC2(CCc3nnc(C(=O)NC4CCC4)n3C2)CC1 ZINC000306126027 568888555 /nfs/dbraw/zinc/88/85/55/568888555.db2.gz DJYRDKAHUAVOHF-UHFFFAOYSA-N 0 3 400.552 2.554 40 0 HFABHN COc1ccccc1CN1C[C@@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@@H]2C1 ZINC000306126704 568889492 /nfs/dbraw/zinc/88/94/92/568889492.db2.gz FCTAFGHCCDETEJ-PMACEKPBSA-N 0 3 417.513 2.521 40 0 HFABHN COc1ccccc1CN1C[C@@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@H]2C1 ZINC000306126706 568889592 /nfs/dbraw/zinc/88/95/92/568889592.db2.gz FCTAFGHCCDETEJ-VQTJNVASSA-N 0 3 417.513 2.521 40 0 HFABHN CC[C@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3ccc(C)s3)CC1)COC2 ZINC000306129265 568891911 /nfs/dbraw/zinc/89/19/11/568891911.db2.gz HYYSCMKJOMSLQZ-HNNXBMFYSA-N 0 3 417.579 2.989 40 0 HFABHN CS(=O)(=O)N[C@@H]1CCN(Cc2cccs2)C[C@]12CCN(Cc1ccccc1)C2 ZINC000306133891 568895930 /nfs/dbraw/zinc/89/59/30/568895930.db2.gz MYPBWZGBZMZKSP-RTWAWAEBSA-N 0 3 419.616 2.764 40 0 HFABHN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4cccc(C)n4)C[C@@H]2C3)cc1 ZINC000306136006 568898032 /nfs/dbraw/zinc/89/80/32/568898032.db2.gz PGJFWCYTMSLNTL-IRXDYDNUSA-N 0 3 418.501 2.547 40 0 HFABHN O=C1N(Cc2cccnc2)CCO[C@]12CN(Cc1cccs1)C[C@H]2c1cccnc1 ZINC000306138237 568900120 /nfs/dbraw/zinc/90/01/20/568900120.db2.gz RSXRIJIMUMDSEM-GMAHTHKFSA-N 0 3 420.538 2.935 40 0 HFABHN Cc1nnc(CCC(=O)N2CCO[C@]3(CCCC[C@H]3NCc3cccnc3)C2)s1 ZINC000306144494 568905833 /nfs/dbraw/zinc/90/58/33/568905833.db2.gz ZGNOAGAZCVTYKD-WIYYLYMNSA-N 0 3 415.563 2.504 40 0 HFABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000242522223 568963565 /nfs/dbraw/zinc/96/35/65/568963565.db2.gz IMWMOEVGGCHCBX-DBXWQHBBSA-N 0 3 420.506 2.988 40 0 HFABHN CCOC[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000242592444 568967906 /nfs/dbraw/zinc/96/79/06/568967906.db2.gz OUSLNOBMRLNRBX-NJDAHSKKSA-N 0 3 403.500 2.645 40 0 HFABHN CN(C)CCNc1nc(Nc2cccc(OC(F)(F)F)c2)cc(C(F)(F)F)n1 ZINC000329035404 568973999 /nfs/dbraw/zinc/97/39/99/568973999.db2.gz REFOVKAEXVZFQT-UHFFFAOYSA-N 0 3 409.334 2.955 40 0 HFABHN CC[C@@H](C)[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000016020600 569025785 /nfs/dbraw/zinc/02/57/85/569025785.db2.gz BHKTUHAQVLFBBP-KFGFINRWSA-N 0 3 421.472 2.792 40 0 HFABHN CCN1CCN(c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2N)CC1 ZINC000226263730 569278913 /nfs/dbraw/zinc/27/89/13/569278913.db2.gz PITGGFOQOOBEKZ-UHFFFAOYSA-N 0 3 414.506 2.689 40 0 HFABHN COc1ccc(C)cc1CN1C[C@H](C(=O)N(C)C)[C@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019133186 569345278 /nfs/dbraw/zinc/34/52/78/569345278.db2.gz RNBMAWZXLBZPRO-PXDATVDWSA-N 0 3 421.541 2.639 40 0 HFABHN O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000008636237 291227877 /nfs/dbraw/zinc/22/78/77/291227877.db2.gz IYHOXNCOAQTCLD-SONWIMMPSA-N 0 3 418.585 2.949 40 0 biogenic,in-vitro HFABHN C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(=O)[nH]c(N3CCC[C@@H](C)C3)nc2C1 ZINC000012184757 132356205 /nfs/dbraw/zinc/35/62/05/132356205.db2.gz TZYYXZFSOYCCLX-SJORKVTESA-N 0 3 424.545 2.972 40 0 HFABHN COc1ccccc1/C=C/CN1C[C@H]2[C@H](CC[C@]2(O)c2cnc(OC)nc2OC)C1 ZINC000012407215 558398465 /nfs/dbraw/zinc/39/84/65/558398465.db2.gz XBBKFDYGJGAOPF-OHLJYHLKSA-N 0 3 411.502 2.745 40 0 HFABHN CN(CC(=O)NCc1ccccc1CN1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000025073668 558630626 /nfs/dbraw/zinc/63/06/26/558630626.db2.gz DQJGFSYONNWBSG-UHFFFAOYSA-N 0 3 415.559 2.609 40 0 HFABHN CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCN1CCCC1 ZINC000068605689 558863951 /nfs/dbraw/zinc/86/39/51/558863951.db2.gz GZUJLKSCCFZQFI-LJQANCHMSA-N 0 3 400.523 2.816 40 0 HFABHN CC(=O)N1CCN(Cc2ccc3ncccc3c2)C[C@@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072355196 558952628 /nfs/dbraw/zinc/95/26/28/558952628.db2.gz XXYUXOPNHPXPIW-HXUWFJFHSA-N 0 3 418.545 2.614 40 0 HFABHN CNc1nc([C@@H]2CCCN2)nc2c1CN(CC(=O)N(Cc1ccccc1)C(C)C)CC2 ZINC000019710816 558972875 /nfs/dbraw/zinc/97/28/75/558972875.db2.gz QPSMUBOLMAFCTQ-NRFANRHFSA-N 0 3 422.577 2.738 40 0 HFABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)c1ccc3c(c1)C[C@@H](C)O3)C2 ZINC000019710907 558973192 /nfs/dbraw/zinc/97/31/92/558973192.db2.gz RXRMXEWBXDEQLJ-OAHLLOKOSA-N 0 3 421.545 2.849 40 0 HFABHN CCc1ccccc1C(=O)N1CCC2(CO[C@H](CN3CC[C@@H](C)[C@H](O)C3)C2)CC1 ZINC000585104601 559027152 /nfs/dbraw/zinc/02/71/52/559027152.db2.gz RBWYCTQPEVULPI-KAGYGMCKSA-N 0 3 400.563 2.963 40 0 HFABHN CN(C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)N3CCCC3)CC2)c2ccccc21 ZINC000096052918 559092806 /nfs/dbraw/zinc/09/28/06/559092806.db2.gz YKMLYYCJHFGINR-IBGZPJMESA-N 0 3 412.578 2.791 40 0 HFABHN O=C(Nc1ccccc1)N1CCC2(CN(Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000096262537 559106523 /nfs/dbraw/zinc/10/65/23/559106523.db2.gz KPTSGRDMBUSPHX-DEOSSOPVSA-N 0 3 419.529 2.718 40 0 HFABHN O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCCC1)c1cccc(F)c1 ZINC000585262302 559110711 /nfs/dbraw/zinc/11/07/11/559110711.db2.gz NHMHGXXNEWDOOZ-CGXNFDGLSA-N 0 3 402.441 2.740 40 0 HFABHN Cc1ccc(OC[C@]2(O)COCCN(Cc3ccc(OCCN(C)C)cc3)C2)cc1 ZINC000585273772 559118538 /nfs/dbraw/zinc/11/85/38/559118538.db2.gz UJJKMDZSGPPEAS-XMMPIXPASA-N 0 3 414.546 2.578 40 0 HFABHN Cc1ccc(CN2CCC3(CN(c4ncccn4)C[C@]34CCN(C)C4=O)CC2)s1 ZINC000097952862 559124918 /nfs/dbraw/zinc/12/49/18/559124918.db2.gz UWGRILVZRHWDLI-QFIPXVFZSA-N 0 3 411.575 2.797 40 0 HFABHN CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NC[C@H]3CCCO3)cc2c1 ZINC000004133439 560600517 /nfs/dbraw/zinc/60/05/17/560600517.db2.gz GZCVIARPURTWHW-LJQANCHMSA-N 0 3 416.591 2.508 40 0 HFABHN COc1cc(CNC[C@H]2CCCO2)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000007540356 560751638 /nfs/dbraw/zinc/75/16/38/560751638.db2.gz RUJYYKZSPQFSMQ-LJQANCHMSA-N 0 3 409.490 2.827 40 0 HFABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccccc2F)[C@@H]1Cc1ccnc(-c2ccccc2)n1 ZINC000604382723 568489520 /nfs/dbraw/zinc/48/95/20/568489520.db2.gz ZUQFKGCHQUNNTM-OHUMZHCVSA-N 0 3 407.489 2.973 40 0 biogenic,in-vitro HFABHN COCCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C ZINC000223264719 568543325 /nfs/dbraw/zinc/54/33/25/568543325.db2.gz VFJXLLNQENDAOC-UXHICEINSA-N 0 3 401.580 2.680 40 0 HFABHN Cc1cc(C(=O)NC2CCN(C)CC2)ccc1N(C)S(=O)(=O)c1ccccc1 ZINC000224202253 568573612 /nfs/dbraw/zinc/57/36/12/568573612.db2.gz PMXHPBOOCUAIFT-UHFFFAOYSA-N 0 3 401.532 2.644 40 0 HFABHN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CCN(C)CC3)cc2C)cc1 ZINC000224213271 568573928 /nfs/dbraw/zinc/57/39/28/568573928.db2.gz UXSGVTAMAMGVPN-UHFFFAOYSA-N 0 3 415.559 2.953 40 0 HFABHN Cn1c2ccc(S(=O)(=O)NCc3ccccc3CN3CCCC3)cc2sc1=O ZINC000224805183 568597633 /nfs/dbraw/zinc/59/76/33/568597633.db2.gz AXFFIEGNUPNRJK-UHFFFAOYSA-N 0 3 417.556 2.674 40 0 HFABHN CCOc1cc(C(=O)N2CCC[C@](O)(CN3CCC(F)(F)CC3)CC2)ccc1O ZINC000257207357 568778407 /nfs/dbraw/zinc/77/84/07/568778407.db2.gz BHJXCOHUEGXDHE-HXUWFJFHSA-N 0 3 412.477 2.879 40 0 HFABHN Cc1nc([C@H]2CCCN(Cc3ccccc3)C2)nc(C)c1CC(=O)N1CCOCC1 ZINC000257213877 568780120 /nfs/dbraw/zinc/78/01/20/568780120.db2.gz CJKZPKYOIVNJLY-NRFANRHFSA-N 0 3 408.546 2.874 40 0 HFABHN CC(C)n1cc(CN2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306131593 568893896 /nfs/dbraw/zinc/89/38/96/568893896.db2.gz KJJYIUYJPPTEJW-ROUUACIJSA-N 0 3 405.506 2.612 40 0 HFABHN Cc1cccc(CN2C[C@@H]3Cn4c(nnc4C(=O)Nc4cccc(F)c4)C[C@@H]3C2)n1 ZINC000306136809 568898649 /nfs/dbraw/zinc/89/86/49/568898649.db2.gz QDYQFGBNTAUZCX-HZPDHXFCSA-N 0 3 406.465 2.677 40 0 HFABHN COc1ccccc1CN1C[C@@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@@H]2C1 ZINC000306142825 568904435 /nfs/dbraw/zinc/90/44/35/568904435.db2.gz XLDHINRYTJVFGK-IRXDYDNUSA-N 0 3 421.476 2.982 40 0 HFABHN O=S(=O)(c1cccc(F)c1)N1CCO[C@]2(CCCC[C@H]2NCc2cccnc2)C1 ZINC000306143478 568904865 /nfs/dbraw/zinc/90/48/65/568904865.db2.gz YDCVOTFNQCKWLQ-NHCUHLMSSA-N 0 3 419.522 2.713 40 0 HFABHN CCOC[C@@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218169941 568926938 /nfs/dbraw/zinc/92/69/38/568926938.db2.gz OUSLNOBMRLNRBX-ACRUOGEOSA-N 0 3 403.500 2.645 40 0 HFABHN CCOC[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000242701666 568970166 /nfs/dbraw/zinc/97/01/66/568970166.db2.gz WITKHYUWSAJNMU-VAMGGRTRSA-N 0 3 423.918 2.990 40 0 HFABHN CN(C)CCNc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2cccnc2)n1 ZINC000329056142 568974937 /nfs/dbraw/zinc/97/49/37/568974937.db2.gz VRQDHOSUUHOWQH-UHFFFAOYSA-N 0 3 418.423 2.998 40 0 HFABHN C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CCN3CCC[C@@H]3C1)[C@]1(C2)Nc2ccccc2C(=O)N1 ZINC000012142439 569344684 /nfs/dbraw/zinc/34/46/84/569344684.db2.gz FAOJJDMFNZOAEQ-FGOODKDYSA-N 0 3 408.546 2.671 40 0 HFABHN COc1ccccc1CN1CCC[C@@H](c2nn(CCNC(C)=O)c3ncccc23)C1 ZINC000012219528 569344749 /nfs/dbraw/zinc/34/47/49/569344749.db2.gz NCCCWHSQAMPDHF-LJQANCHMSA-N 0 3 407.518 2.956 40 0 HFABHN COc1ccc(C)cc1CN1C[C@@H](C(=O)N(C)C)[C@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019133182 569345339 /nfs/dbraw/zinc/34/53/39/569345339.db2.gz RNBMAWZXLBZPRO-SQJMNOBHSA-N 0 3 421.541 2.639 40 0 HFABHN CCOc1ccc(CC(=O)N2CCC[C@H](c3nc(CNC)cc(N(C)C)n3)C2)cc1 ZINC000019709562 569348103 /nfs/dbraw/zinc/34/81/03/569348103.db2.gz FIDMZFGDEGKQES-SFHVURJKSA-N 0 3 411.550 2.609 40 0 HFABHN CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCCN4CC(C)(C)C)n3)ccn2)CC1 ZINC000049154988 291215255 /nfs/dbraw/zinc/21/52/55/291215255.db2.gz WIPGCAPKRMXRNV-SFHVURJKSA-N 0 3 412.538 2.983 40 0 biogenic,in-vitro HFABHN O[C@@H]1C[C@@](CNCc2ccc(F)cc2)(COc2ccc(C(F)(F)F)cn2)C[C@@H]1O ZINC000107430392 291230285 /nfs/dbraw/zinc/23/02/85/291230285.db2.gz IRGHMZMEILSAQW-IZZQQSIFSA-N 0 3 414.399 2.910 40 0 biogenic,in-vitro HFABHN CS(=O)(=O)N1CCCc2cc([C@H](O)CN3CCC(C(F)(F)F)CC3)ccc21 ZINC000012291498 132358013 /nfs/dbraw/zinc/35/80/13/132358013.db2.gz MVPFATLUHKOQGH-QGZVFWFLSA-N 0 3 406.470 2.707 40 0 HFABHN Cc1cc(S(=O)(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)ccc1N1CCCC1=O ZINC000019931383 558310297 /nfs/dbraw/zinc/31/02/97/558310297.db2.gz VZWZRFNDKCLOAM-IRXDYDNUSA-N 0 3 407.580 2.768 40 0 HFABHN Cc1ccc(=O)n(CC2(O)C[C@H]3CC[C@@H](C2)N3Cc2cn(C)c3ccc(F)cc23)n1 ZINC000012134002 558333446 /nfs/dbraw/zinc/33/34/46/558333446.db2.gz HQFHEAPOPVJEEF-LIMIJEPZSA-N 0 3 410.493 2.741 40 0 HFABHN CC1(C)CCCN(CC(=O)N2CCC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000012220942 558355705 /nfs/dbraw/zinc/35/57/05/558355705.db2.gz DZWWXDURLGAAIT-GOSISDBHSA-N 0 3 400.567 2.798 40 0 HFABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(O)ccc2O3)cc1OC ZINC000012329690 558384519 /nfs/dbraw/zinc/38/45/19/558384519.db2.gz AUFMEMBJPLRYFX-OALUTQOASA-N 0 3 415.486 2.794 40 0 HFABHN COc1ccc(-c2nc3ncc4c(ccn(CCN5CCCCC5)c4=O)n3n2)cc1 ZINC000020676938 558400286 /nfs/dbraw/zinc/40/02/86/558400286.db2.gz BFGURACOIZRTIH-UHFFFAOYSA-N 0 3 404.474 2.601 40 0 HFABHN Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCN1CCCCCC1)S(C)(=O)=O ZINC000013680330 558566170 /nfs/dbraw/zinc/56/61/70/558566170.db2.gz CECALQSAXQXCLD-MRXNPFEDSA-N 0 3 415.987 2.795 40 0 HFABHN Cc1cccc(CN2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCCC4)n3)C2)n1 ZINC000019236327 558855441 /nfs/dbraw/zinc/85/54/41/558855441.db2.gz ARHSPJOTZAIGJC-SFTDATJTSA-N 0 3 422.577 2.911 40 0 HFABHN O=C(c1ccccc1F)N1CCc2c(=O)[n-]c([C@@H]3CC[N@@H+](C4CCCC4)C3)nc2C1 ZINC000019347673 558873950 /nfs/dbraw/zinc/87/39/50/558873950.db2.gz SCFVWUUVWUIXLP-OAHLLOKOSA-N 0 3 410.493 2.839 40 0 HFABHN O=C(c1ccccc1F)N1CCc2c(=O)[n-]c([C@@H]3CC[N@H+](C4CCCC4)C3)nc2C1 ZINC000019347673 558873952 /nfs/dbraw/zinc/87/39/52/558873952.db2.gz SCFVWUUVWUIXLP-OAHLLOKOSA-N 0 3 410.493 2.839 40 0 HFABHN O=C(C1CCC1)N1CCc2c(=O)[nH]c([C@H]3CCN(Cc4ccccc4F)C3)nc2C1 ZINC000019348844 558874642 /nfs/dbraw/zinc/87/46/42/558874642.db2.gz JSJGFEOIVPEKRP-KRWDZBQOSA-N 0 3 410.493 2.583 40 0 HFABHN O=C(NCCn1ccnc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372573 558879921 /nfs/dbraw/zinc/87/99/21/558879921.db2.gz NKUAHDWVRCRPQW-FGZHOGPDSA-N 0 3 420.488 2.770 40 0 HFABHN CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN(C(=O)c5cc[nH]n5)C4)[n-]c(=O)c3C2)CC1 ZINC000019495963 558894858 /nfs/dbraw/zinc/89/48/58/558894858.db2.gz XVQOCILAZGJELC-AQFXKWCLSA-N 0 3 424.549 2.862 40 0 HFABHN CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN(C(=O)c5cc[nH]n5)C4)[n-]c(=O)c3C2)CC1 ZINC000019495963 558894859 /nfs/dbraw/zinc/89/48/59/558894859.db2.gz XVQOCILAZGJELC-AQFXKWCLSA-N 0 3 424.549 2.862 40 0 HFABHN CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN(C(=O)c5ccn[nH]5)C4)[n-]c(=O)c3C2)CC1 ZINC000019495963 558894861 /nfs/dbraw/zinc/89/48/61/558894861.db2.gz XVQOCILAZGJELC-AQFXKWCLSA-N 0 3 424.549 2.862 40 0 HFABHN CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN(C(=O)c5ccn[nH]5)C4)[n-]c(=O)c3C2)CC1 ZINC000019495963 558894862 /nfs/dbraw/zinc/89/48/62/558894862.db2.gz XVQOCILAZGJELC-AQFXKWCLSA-N 0 3 424.549 2.862 40 0 HFABHN CCc1ncc(CN2CCC[C@H]2CN2Cc3ccccc3OC[C@@H]2CN(C)C)cn1 ZINC000019523404 558904709 /nfs/dbraw/zinc/90/47/09/558904709.db2.gz YBJMESQPADEKCN-VXKWHMMOSA-N 0 3 409.578 2.828 40 0 HFABHN CCn1cc(CN2CCC(O)(Cn3nc(C)ccc3=O)CC2)c2cc(OC)ccc21 ZINC000019524747 558906028 /nfs/dbraw/zinc/90/60/28/558906028.db2.gz OCUDFVNTCZVCHA-UHFFFAOYSA-N 0 3 410.518 2.562 40 0 HFABHN CC(=O)NC1(c2ccccc2)CCN(Cc2sc(N3CCOCC3)nc2C)CC1 ZINC000019658704 558950673 /nfs/dbraw/zinc/95/06/73/558950673.db2.gz GIWZCDLFBKWWHR-UHFFFAOYSA-N 0 3 414.575 2.916 40 0 HFABHN COc1ccc(CN2CCC[C@H](c3nnc(-c4cnccn4)o3)C2)c(OC)c1OC ZINC000072390059 558970395 /nfs/dbraw/zinc/97/03/95/558970395.db2.gz PJWRTVIFCVQOEU-HNNXBMFYSA-N 0 3 411.462 2.932 40 0 HFABHN COc1ncc([C@@]2(O)CC[C@@H]3CN(Cc4ccc5c(c4)C[C@@H](C)O5)C[C@@H]32)c(OC)n1 ZINC000072395408 558974294 /nfs/dbraw/zinc/97/42/94/558974294.db2.gz YKQDIJZVIHRGJV-GTXMHPBVSA-N 0 3 411.502 2.547 40 0 HFABHN C[C@@H]1CCCCN1Cc1cccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)c1 ZINC000019716248 558977898 /nfs/dbraw/zinc/97/78/98/558977898.db2.gz QBIJCTVNQBTOJG-MRXNPFEDSA-N 0 3 408.506 2.533 40 0 HFABHN CN(C)C(=O)CN1CCC[C@]12CCCN(C(=O)COc1cccc(Cl)c1)CC2 ZINC000585100572 559024151 /nfs/dbraw/zinc/02/41/51/559024151.db2.gz OERSKNRYIZRREY-NRFANRHFSA-N 0 3 407.942 2.654 40 0 HFABHN CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(Cc2ccc(C)s2)CC3)C1=O ZINC000096036576 559090425 /nfs/dbraw/zinc/09/04/25/559090425.db2.gz ZSLSWZFHEXRQJR-QFIPXVFZSA-N 0 3 418.607 2.875 40 0 HFABHN CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1CN(C(=O)c1cccn1C)CCC2 ZINC000096056088 559093918 /nfs/dbraw/zinc/09/39/18/559093918.db2.gz LSRIDRQVGBIGDL-DVECYGJZSA-N 0 3 424.545 2.646 40 0 HFABHN CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1CN(C(=O)c1ccncc1)CCC2 ZINC000096056089 559094045 /nfs/dbraw/zinc/09/40/45/559094045.db2.gz HKWKLPBGICAXAX-YKSBVNFPSA-N 0 3 422.529 2.703 40 0 HFABHN Cc1nc(-c2cc(C(=O)NCCN(C)C)c3ccccn23)cn1Cc1cccnc1 ZINC000096154953 559099279 /nfs/dbraw/zinc/09/92/79/559099279.db2.gz FIFACROMICMRII-UHFFFAOYSA-N 0 3 402.502 2.846 40 0 HFABHN COCCOc1cc(CN(C)C[C@H](O)COc2ccc(OC)cc2)ccc1OC ZINC000585262514 559111007 /nfs/dbraw/zinc/11/10/07/559111007.db2.gz HYLUUUBMOZEBMU-SFHVURJKSA-N 0 3 405.491 2.601 40 0 HFABHN COc1ccc(CN(C)C[C@@]2(O)CCN(Cc3ccc(OCCCO)cc3)C2)cc1 ZINC000585269641 559115817 /nfs/dbraw/zinc/11/58/17/559115817.db2.gz FOVOWTROKBMMFR-DEOSSOPVSA-N 0 3 414.546 2.525 40 0 HFABHN OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1ccc(Oc2ccccc2)cc1 ZINC000585293832 559126826 /nfs/dbraw/zinc/12/68/26/559126826.db2.gz ATLXAFZMXUTXLE-FQUZAXHOSA-N 0 3 405.494 2.989 40 0 HFABHN Cc1ccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000113933807 559182249 /nfs/dbraw/zinc/18/22/49/559182249.db2.gz FJXUZQLYEWYBHN-UHFFFAOYSA-N 0 3 419.522 2.540 40 0 HFABHN CN(Cc1ccc(OCc2ccccn2)cc1)C[C@@]1(O)CCN(c2ncccn2)C1 ZINC000257210099 559282554 /nfs/dbraw/zinc/28/25/54/559282554.db2.gz BTDQYYYAYJOLQG-QHCPKHFHSA-N 0 3 405.502 2.524 40 0 HFABHN CCNC(=S)N(CCN1CCCC1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000000928155 560557056 /nfs/dbraw/zinc/55/70/56/560557056.db2.gz NEZCGOHYKDQZDY-UHFFFAOYSA-N 0 3 402.564 2.719 40 0 HFABHN COc1ccc(CNCc2cc(Br)c(OCC(N)=O)c(OC)c2)cc1 ZINC000007538416 560751457 /nfs/dbraw/zinc/75/14/57/560751457.db2.gz LAQINEKMCKCRBT-UHFFFAOYSA-N 0 3 409.280 2.620 40 0 HFABHN CCN(c1ccc(C(=O)NCCN(C)C)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000010111681 560763827 /nfs/dbraw/zinc/76/38/27/560763827.db2.gz UOUNHNQPYLKTMG-UHFFFAOYSA-N 0 3 421.588 2.915 40 0 HFABHN COC(=O)c1ccc(-c2ccc(CNCCc3ccc(S(N)(=O)=O)cc3)o2)cc1 ZINC000022076825 568473676 /nfs/dbraw/zinc/47/36/76/568473676.db2.gz JALKPIWMVNTGSJ-UHFFFAOYSA-N 0 3 414.483 2.713 40 0 HFABHN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCc1ccccc1CN1CCCCC1 ZINC000224832027 568599012 /nfs/dbraw/zinc/59/90/12/568599012.db2.gz RFDRQHSRRUVSDN-OYRHEFFESA-N 0 3 409.530 2.630 40 0 HFABHN COC(=O)CSc1nnc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)s1 ZINC000224982344 568607290 /nfs/dbraw/zinc/60/72/90/568607290.db2.gz YHRFPWNCCYJCNX-UHFFFAOYSA-N 0 3 420.560 2.962 40 0 HFABHN COc1ccc(C2OCC(C)(C(=O)Nc3ccc(OCCN(C)C)nc3)CO2)cc1 ZINC000225916976 568685970 /nfs/dbraw/zinc/68/59/70/568685970.db2.gz ZNSMBCNRMPWOTJ-UHFFFAOYSA-N 0 3 415.490 2.721 40 0 HFABHN O=S(=O)(c1ccccc1)N1C[C@@H]2CN(C3CCN(Cc4ccccc4)CC3)[C@@H]2C1 ZINC000247292680 568744505 /nfs/dbraw/zinc/74/45/05/568744505.db2.gz BJOQEGDXVHMAMJ-NFBKMPQASA-N 0 3 411.571 2.656 40 0 HFABHN CSc1ccccc1CN1CC[C@]2(C1)COCc1cnc(N3CCCC3=O)nc12 ZINC000247831748 568745929 /nfs/dbraw/zinc/74/59/29/568745929.db2.gz LLLADMLIHMYNKH-QFIPXVFZSA-N 0 3 410.543 2.999 40 0 HFABHN CCNc1nc(C)c(C(=O)N2CCC[C@](O)(CN3CCC(F)(F)CC3)CC2)s1 ZINC000257268124 568795114 /nfs/dbraw/zinc/79/51/14/568795114.db2.gz MKIRLAHVBOZZHO-GOSISDBHSA-N 0 3 416.538 2.972 40 0 HFABHN CCN(CC)S(=O)(=O)N1CCC(c2cc(Nc3ncccn3)cc(C)n2)CC1 ZINC000257285871 568800137 /nfs/dbraw/zinc/80/01/37/568800137.db2.gz PJGSXCLIPNVNII-UHFFFAOYSA-N 0 3 404.540 2.690 40 0 HFABHN O=C(c1ccc(OCCN2CCCCC2)cc1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 ZINC000257321778 568810836 /nfs/dbraw/zinc/81/08/36/568810836.db2.gz WDFAMRNMZTUOCQ-VXKWHMMOSA-N 0 3 412.534 2.586 40 0 HFABHN COc1ccc(CN2CCO[C@]3(CN(C4CCC4)C[C@H]3c3cccnc3)C2=O)cc1 ZINC000306125315 568888182 /nfs/dbraw/zinc/88/81/82/568888182.db2.gz CMHACGRMSYKICE-UPVQGACJSA-N 0 3 407.514 2.840 40 0 HFABHN O=c1c(=O)n(CC2CCCCC2)nc2n1C[C@@H]1CCN(Cc3cccc(F)c3)C[C@H]21 ZINC000306133113 568895326 /nfs/dbraw/zinc/89/53/26/568895326.db2.gz MCLXMTMHDRCKGG-ICSRJNTNSA-N 0 3 412.509 2.744 40 0 HFABHN CCCNC(=O)c1nnc2n1CC1(CCN(Cc3ccc(C)s3)CC1)COC2 ZINC000306133863 568895830 /nfs/dbraw/zinc/89/58/30/568895830.db2.gz MYAAUBXXYHLYFO-UHFFFAOYSA-N 0 3 403.552 2.600 40 0 HFABHN CN(C)CCNc1nc(Nc2cccc(Br)c2)cc(-c2ccccn2)n1 ZINC000328990968 568971614 /nfs/dbraw/zinc/97/16/14/568971614.db2.gz IQZDBXBCKZOGOA-UHFFFAOYSA-N 0 3 413.323 2.862 40 0 HFABHN C[C@H]1Oc2ccccc2O[C@@H]1CN1CCC2(CC1)C(=O)N(C)CN2c1ccccc1 ZINC000095869983 569069909 /nfs/dbraw/zinc/06/99/09/569069909.db2.gz XCURAXQEILSZCX-XMSQKQJNSA-N 0 3 407.514 2.986 40 0 HFABHN C[C@@H]1Oc2ccccc2O[C@@H]1CN1CCC2(CC1)C(=O)N(C)CN2c1ccccc1 ZINC000095869984 569069925 /nfs/dbraw/zinc/06/99/25/569069925.db2.gz XCURAXQEILSZCX-PGRDOPGGSA-N 0 3 407.514 2.986 40 0 HFABHN COc1cccc(CN2CCC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c1 ZINC000012219517 569344759 /nfs/dbraw/zinc/34/47/59/569344759.db2.gz UNELSAQUORBMQU-IBGZPJMESA-N 0 3 407.518 2.956 40 0 HFABHN O=C(CN1CCC[C@@H]2CCCC[C@@H]21)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019292009 569345465 /nfs/dbraw/zinc/34/54/65/569345465.db2.gz DKMFOTAVDJZKEB-ZVDOUQERSA-N 0 3 412.578 2.940 40 0 HFABHN COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNC(=O)C3CC3)n(C)n2)cc1OC ZINC000008635503 291224243 /nfs/dbraw/zinc/22/42/43/291224243.db2.gz BJOOUMPWCUMRCJ-UHOSZYNNSA-N 0 3 424.545 2.808 40 0 biogenic,in-vitro HFABHN O=C(Cn1cc(C(=O)NC2CCCC2)ccc1=O)Nc1ccccc1CN1CCCC1 ZINC000072344602 527366130 /nfs/dbraw/zinc/36/61/30/527366130.db2.gz OGBQUHXEUOVLOB-UHFFFAOYSA-N 0 3 422.529 2.755 40 0 HFABHN Cc1ccc([C@H](C)C(=O)N[C@@H](C)C(=O)N2Cc3ccccc3OC[C@@H]2CN(C)C)cc1 ZINC000072394909 558809110 /nfs/dbraw/zinc/80/91/10/558809110.db2.gz OSWNHAWWXIFIKW-IPJJNNNSSA-N 0 3 423.557 2.955 40 0 HFABHN C[C@H](C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2-c2ccncc2)C1)N1CCCCC1 ZINC000019079207 558838844 /nfs/dbraw/zinc/83/88/44/558838844.db2.gz GLVGSWVHYNAPSC-KNQAVFIVSA-N 0 3 420.557 2.740 40 0 HFABHN Cc1cccc(CN2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCC4)n3)C2)n1 ZINC000019236326 558855455 /nfs/dbraw/zinc/85/54/55/558855455.db2.gz JWSLXODHJVNUAF-PMACEKPBSA-N 0 3 408.550 2.520 40 0 HFABHN COCCOc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)cc1OC ZINC000019291377 558863895 /nfs/dbraw/zinc/86/38/95/558863895.db2.gz SZEOSHOACFWLCH-LIMIJEPZSA-N 0 3 415.534 2.574 40 0 HFABHN O=C(c1cccc(F)c1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCC2)CC3)C1 ZINC000019293505 558865356 /nfs/dbraw/zinc/86/53/56/558865356.db2.gz BGINVEPEYSJTCH-MRXNPFEDSA-N 0 3 410.493 2.839 40 0 HFABHN O=C(c1cccc(F)c1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCC2)CC3)C1 ZINC000019293505 558865358 /nfs/dbraw/zinc/86/53/58/558865358.db2.gz BGINVEPEYSJTCH-MRXNPFEDSA-N 0 3 410.493 2.839 40 0 HFABHN O=C(C1CC1)N1CCc2nc([C@@H]3CCCN(Cc4cccc(F)c4)C3)[nH]c(=O)c2C1 ZINC000019293839 558865471 /nfs/dbraw/zinc/86/54/71/558865471.db2.gz ZYZSNGVZCPTFKO-QGZVFWFLSA-N 0 3 410.493 2.583 40 0 HFABHN O=c1cc(-c2cccnc2)nc(C2CC[NH+](Cc3ccc(OCCO)cc3)CC2)[n-]1 ZINC000019340357 558871461 /nfs/dbraw/zinc/87/14/61/558871461.db2.gz REUBCKPPMVQSBH-UHFFFAOYSA-N 0 3 406.486 2.583 40 0 HFABHN O=c1[n-]c(C2CC[NH+](C[C@@H]3CCOC3)CC2)nc2c1CN(Cc1ccccc1)CC2 ZINC000019372306 558879580 /nfs/dbraw/zinc/87/95/80/558879580.db2.gz GCJNCPRFCORXQJ-IBGZPJMESA-N 0 3 408.546 2.544 40 0 HFABHN CCCC(=O)N1CCc2nc([C@H]3CCCN(Cc4cccc(F)c4)C3)[nH]c(=O)c2C1 ZINC000019501589 558899669 /nfs/dbraw/zinc/89/96/69/558899669.db2.gz SUACVJNWEBKHOL-KRWDZBQOSA-N 0 3 412.509 2.973 40 0 HFABHN CCN(C(=O)c1c[nH]nc1C1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1 ZINC000019526670 558907974 /nfs/dbraw/zinc/90/79/74/558907974.db2.gz XKYRKMIXJNWYNM-UHFFFAOYSA-N 0 3 409.534 2.878 40 0 HFABHN CCOc1ccc(CC(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)cc1 ZINC000019532867 558912775 /nfs/dbraw/zinc/91/27/75/558912775.db2.gz XUENDVLDDIIANS-KRWDZBQOSA-N 0 3 410.518 2.518 40 0 HFABHN CCOc1ccc(CC(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)cc1 ZINC000019532867 558912777 /nfs/dbraw/zinc/91/27/77/558912777.db2.gz XUENDVLDDIIANS-KRWDZBQOSA-N 0 3 410.518 2.518 40 0 HFABHN Cc1cc(C[N@@H+]2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)C2)cs1 ZINC000019572051 558930410 /nfs/dbraw/zinc/93/04/10/558930410.db2.gz VDZUWCSROUUVSC-KRWDZBQOSA-N 0 3 412.559 2.814 40 0 HFABHN Cc1cc(C[N@H+]2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)C2)cs1 ZINC000019572051 558930413 /nfs/dbraw/zinc/93/04/13/558930413.db2.gz VDZUWCSROUUVSC-KRWDZBQOSA-N 0 3 412.559 2.814 40 0 HFABHN CC(C)NC(=O)[C@@H]1CN([C@@H](C)Cc2ccccc2F)C[C@]12Cc1ccccc1C(=O)N2 ZINC000072334459 558935587 /nfs/dbraw/zinc/93/55/87/558935587.db2.gz SKFGWGMBEGWHKN-SBJAYZTMSA-N 0 3 423.532 2.938 40 0 HFABHN COc1cc([C@H]2c3cc4c(cc3O[C@H](NCCO)[C@@H]2C)OCO4)cc(OC)c1OC ZINC000073410560 558986288 /nfs/dbraw/zinc/98/62/88/558986288.db2.gz CHLPTPUGQIRMDQ-UOCGYEETSA-N 0 3 417.458 2.510 40 0 HFABHN O=C(CN1CCC[C@@H]2CCCC[C@H]21)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000257220347 558990643 /nfs/dbraw/zinc/99/06/43/558990643.db2.gz DKMFOTAVDJZKEB-QKNQBKEWSA-N 0 3 412.578 2.940 40 0 HFABHN O=C(CN1CCC[C@@H]2CCCC[C@H]21)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000257220346 558990648 /nfs/dbraw/zinc/99/06/48/558990648.db2.gz DKMFOTAVDJZKEB-IRFCIJBXSA-N 0 3 412.578 2.940 40 0 HFABHN Cc1c(CN2CCC[C@]3(CCC(=O)N3CC(=O)N3CCCC3)CC2)nc2ccccn12 ZINC000585099978 559024516 /nfs/dbraw/zinc/02/45/16/559024516.db2.gz BVYBIFMFEWYFSY-DEOSSOPVSA-N 0 3 423.561 2.612 40 0 HFABHN Cc1ccc(C(=O)N2CCC3(CO[C@@H](CN4CC[C@@H](C)[C@H](O)C4)C3)CC2)cc1F ZINC000585104190 559025988 /nfs/dbraw/zinc/02/59/88/559025988.db2.gz MJCASPNYPAQUGJ-YFVAEKQCSA-N 0 3 404.526 2.848 40 0 HFABHN CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1CN(C(=O)C1(F)CCC1)CCC2 ZINC000585108042 559029925 /nfs/dbraw/zinc/02/99/25/559029925.db2.gz HULGGGAPCLDLFA-GCJKJVERSA-N 0 3 417.525 2.886 40 0 HFABHN CN(C)CCN1CCOC[C@@]2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 ZINC000096076356 559094564 /nfs/dbraw/zinc/09/45/64/559094564.db2.gz PLGYUZBNKKWWHY-DEOSSOPVSA-N 0 3 410.562 2.594 40 0 HFABHN O=C(NCc1cccnc1)[C@@H]1Cn2ccnc2C2(CCN(Cc3cccs3)CC2)O1 ZINC000096243817 559104861 /nfs/dbraw/zinc/10/48/61/559104861.db2.gz VNJVPYHHUPFOAL-IBGZPJMESA-N 0 3 423.542 2.546 40 0 HFABHN CCOc1cc(CN(C)C[C@@H](O)c2ccccc2)ccc1OCCN1CCOCC1 ZINC000585272062 559117833 /nfs/dbraw/zinc/11/78/33/559117833.db2.gz ITHBNRCPMXSBQL-JOCHJYFZSA-N 0 3 414.546 2.962 40 0 HFABHN Cc1nn(-c2ccccc2)c(Cl)c1COc1ccc(CNC[C@H](O)CO)cc1 ZINC000585294258 559127036 /nfs/dbraw/zinc/12/70/36/559127036.db2.gz ULECATQLOVAHGT-SFHVURJKSA-N 0 3 401.894 2.856 40 0 HFABHN Cc1ccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000113934410 559182227 /nfs/dbraw/zinc/18/22/27/559182227.db2.gz IXCMMCOBNFDANG-UHFFFAOYSA-N 0 3 415.559 2.709 40 0 HFABHN CN(Cc1ccc(OCCN2CCOCC2)cc1)C[C@H](O)Cn1ccc2ccccc21 ZINC000257291980 559285698 /nfs/dbraw/zinc/28/56/98/559285698.db2.gz QJMGHKCFCPHEQF-QHCPKHFHSA-N 0 3 423.557 2.845 40 0 HFABHN Cc1ccc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=S)NC[C@@H]3CCCO3)cc12 ZINC000004133521 560600624 /nfs/dbraw/zinc/60/06/24/560600624.db2.gz KVCKBTNSHDZVIV-SFHVURJKSA-N 0 3 416.591 2.562 40 0 HFABHN CN(C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)Nc1ccccc1 ZINC000004231300 560603076 /nfs/dbraw/zinc/60/30/76/560603076.db2.gz SXILAQOKRPNRCT-UHFFFAOYSA-N 0 3 422.485 2.895 40 0 HFABHN Cc1ccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000010111605 560763799 /nfs/dbraw/zinc/76/37/99/560763799.db2.gz LSLFBSMVNJHRRA-UHFFFAOYSA-N 0 3 423.966 2.830 40 0 HFABHN OC[C@H]1[C@H](O)C[C@@H](NCc2cccc(F)c2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 ZINC000604382374 568489526 /nfs/dbraw/zinc/48/95/26/568489526.db2.gz PMSABNKEWCLRAI-SSGKUCQKSA-N 0 3 407.489 2.973 40 0 biogenic,in-vitro HFABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccccn1 ZINC000223282166 568543918 /nfs/dbraw/zinc/54/39/18/568543918.db2.gz KPGPVCCEGKKEAP-SFTDATJTSA-N 0 3 406.559 2.861 40 0 HFABHN CN(c1cccc(C(=O)NCc2ccccc2CN2CCCCC2)c1)S(C)(=O)=O ZINC000224848236 568600167 /nfs/dbraw/zinc/60/01/67/568600167.db2.gz CYGLEFJWVAYVRP-UHFFFAOYSA-N 0 3 415.559 2.998 40 0 HFABHN Cc1ccccc1CN1CC[C@@H](c2nc(C)c(CC(=O)N3CCOCC3)c(C)n2)C1 ZINC000257272128 568796149 /nfs/dbraw/zinc/79/61/49/568796149.db2.gz NBESLVYGJWBEHV-OAQYLSRUSA-N 0 3 408.546 2.793 40 0 HFABHN NC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2ccccc2CN2CCCCC2)C1 ZINC000257273593 568796564 /nfs/dbraw/zinc/79/65/64/568796564.db2.gz NHIBODAUNBWAFJ-XMMPIXPASA-N 0 3 406.530 2.727 40 0 HFABHN NC[C@]1(N)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218239605 568836764 /nfs/dbraw/zinc/83/67/64/568836764.db2.gz YQGKHYDGFHBWRW-PMPSAXMXSA-N 0 3 415.740 2.698 40 0 HFABHN CS(=O)(=O)N[C@@H]1CCN(Cc2cccs2)C[C@@]12CCN(Cc1ccccc1)C2 ZINC000306133890 568895961 /nfs/dbraw/zinc/89/59/61/568895961.db2.gz MYPBWZGBZMZKSP-NHCUHLMSSA-N 0 3 419.616 2.764 40 0 HFABHN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4cccc(C)n4)C[C@H]2C3)cc1 ZINC000306136007 568897968 /nfs/dbraw/zinc/89/79/68/568897968.db2.gz PGJFWCYTMSLNTL-SJORKVTESA-N 0 3 418.501 2.547 40 0 HFABHN C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CCN3CCC[C@H]3C1)[C@@]1(C2)Nc2ccccc2C(=O)N1 ZINC000253595472 569318320 /nfs/dbraw/zinc/31/83/20/569318320.db2.gz FAOJJDMFNZOAEQ-OCAKCSDDSA-N 0 3 408.546 2.671 40 0 HFABHN COc1ccc(CN2CC[C@H](c3cc(C(=O)N(C)C)[nH]n3)C2)cc1Cn1ccnc1C ZINC000019707700 569348015 /nfs/dbraw/zinc/34/80/15/569348015.db2.gz UAJLJMPKTXNQHF-SFHVURJKSA-N 0 3 422.533 2.663 40 0 HFABHN O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ccccc2)CC1)c1ccco1 ZINC000067870846 291227912 /nfs/dbraw/zinc/22/79/12/291227912.db2.gz KPCNUOONBYRQLX-JAXLGGSGSA-N 0 3 408.546 2.542 40 0 biogenic,in-vitro HFABHN C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)C1 ZINC000044846237 524885453 /nfs/dbraw/zinc/88/54/53/524885453.db2.gz QEWJJMOPOPYCDC-KBPBESRZSA-N 0 3 401.960 2.809 40 0 HFABHN O=C([C@@H](c1ccccc1)N1CCCC1)N1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000072347639 526454847 /nfs/dbraw/zinc/45/48/47/526454847.db2.gz DXWIJERXYGPLQH-OAQYLSRUSA-N 0 3 405.498 2.965 40 0 HFABHN O=C(Cn1cccc(C(=O)Nc2ccccc2CN2CCCC2)c1=O)NC1CCCC1 ZINC000019750158 558270349 /nfs/dbraw/zinc/27/03/49/558270349.db2.gz SIELSZPRNDDSDB-UHFFFAOYSA-N 0 3 422.529 2.755 40 0 HFABHN O=C(Cn1cc(C(=O)Nc2ccccc2CN2CCCC2)ccc1=O)NC1CCCC1 ZINC000019751209 558271267 /nfs/dbraw/zinc/27/12/67/558271267.db2.gz YOXLMYHLRYYDRV-UHFFFAOYSA-N 0 3 422.529 2.755 40 0 HFABHN CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)C2CCN(C)CC2)nc1C ZINC000019753692 558273023 /nfs/dbraw/zinc/27/30/23/558273023.db2.gz ZKHVWVWDMFKYCL-LJQANCHMSA-N 0 3 401.555 2.662 40 0 HFABHN CC(C)n1c2ccc(S(=O)(=O)N3CCC[C@H](CN4CCCC4)C3)cc2oc1=O ZINC000012220616 558355728 /nfs/dbraw/zinc/35/57/28/558355728.db2.gz LETSSVBAIUARKK-MRXNPFEDSA-N 0 3 407.536 2.672 40 0 HFABHN CSc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2ccc(C)cc2)cc1 ZINC000013613226 558549223 /nfs/dbraw/zinc/54/92/23/558549223.db2.gz BEJGOXXUWBMHCQ-UHFFFAOYSA-N 0 3 421.588 2.590 40 0 HFABHN Cc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2ccc(Cl)cc2)cc1 ZINC000013674445 558563821 /nfs/dbraw/zinc/56/38/21/558563821.db2.gz QZUKMIKENQSQCH-UHFFFAOYSA-N 0 3 409.939 2.522 40 0 HFABHN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N[C@@H](C)C(C)C)CC1(CCN(C)CC1)O2 ZINC000019218397 558851184 /nfs/dbraw/zinc/85/11/84/558851184.db2.gz ZFRJTJCYEMQAQT-ZWKOTPCHSA-N 0 3 401.551 2.843 40 0 HFABHN O=C(Cc1cccs1)N1CC[C@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCC2)CC3)C1 ZINC000019343156 558872558 /nfs/dbraw/zinc/87/25/58/558872558.db2.gz LWHHCCGLNYDFID-HNNXBMFYSA-N 0 3 412.559 2.691 40 0 HFABHN O=C(Cc1cccs1)N1CC[C@H](c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCC2)CC3)C1 ZINC000019343156 558872560 /nfs/dbraw/zinc/87/25/60/558872560.db2.gz LWHHCCGLNYDFID-HNNXBMFYSA-N 0 3 412.559 2.691 40 0 HFABHN O=C1CCOC[C@]2(CN(Cc3ccccc3N3CCCCC3)C[C@H]2c2cccnc2)N1 ZINC000019349465 558875113 /nfs/dbraw/zinc/87/51/13/558875113.db2.gz SPQRKFVOTCVEJE-DHLKQENFSA-N 0 3 420.557 2.947 40 0 HFABHN CCCC(=O)N1CCc2nc([C@@H]3CCC[N@H+](Cc4cccs4)C3)[n-]c(=O)c2C1 ZINC000019501598 558899681 /nfs/dbraw/zinc/89/96/81/558899681.db2.gz ONHVPKJFMWAWOF-OAHLLOKOSA-N 0 3 400.548 2.896 40 0 HFABHN CCCC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4cccs4)C3)[n-]c(=O)c2C1 ZINC000019501598 558899685 /nfs/dbraw/zinc/89/96/85/558899685.db2.gz ONHVPKJFMWAWOF-OAHLLOKOSA-N 0 3 400.548 2.896 40 0 HFABHN CCc1ncc(CN2CCC[C@@H]2CN2Cc3ccccc3OC[C@@H]2CN(C)C)cn1 ZINC000019523403 558904761 /nfs/dbraw/zinc/90/47/61/558904761.db2.gz YBJMESQPADEKCN-YADHBBJMSA-N 0 3 409.578 2.828 40 0 HFABHN COc1ccc(CN2CCC(CNC(=O)C[C@@H]3Oc4ccccc4NC3=O)CC2)cc1 ZINC000019554988 558917896 /nfs/dbraw/zinc/91/78/96/558917896.db2.gz BZKMHXKAKMCDNT-QFIPXVFZSA-N 0 3 423.513 2.813 40 0 HFABHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)cc1C ZINC000019567316 558926865 /nfs/dbraw/zinc/92/68/65/558926865.db2.gz USNGWXMCOANATR-GOSISDBHSA-N 0 3 412.534 2.612 40 0 HFABHN COc1cc(C)c(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)cc1C ZINC000019567316 558926867 /nfs/dbraw/zinc/92/68/67/558926867.db2.gz USNGWXMCOANATR-GOSISDBHSA-N 0 3 412.534 2.612 40 0 HFABHN CN(C)Cc1ccc(C(=O)N2CCC(c3ncccc3S(C)(=O)=O)CC2)cc1 ZINC000019583507 558938089 /nfs/dbraw/zinc/93/80/89/558938089.db2.gz RMLGZOYMJXQFQI-UHFFFAOYSA-N 0 3 401.532 2.567 40 0 HFABHN COc1ccc(CN2CCC(CNC(=O)C3CCN(c4cnccn4)CC3)CC2)cc1 ZINC000072347703 558944726 /nfs/dbraw/zinc/94/47/26/558944726.db2.gz KNZXPSZVUCHYSO-UHFFFAOYSA-N 0 3 423.561 2.730 40 0 HFABHN C/C=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C ZINC000072394975 558973758 /nfs/dbraw/zinc/97/37/58/558973758.db2.gz KJUIWUVGRYUJJQ-OTXRGOGSSA-N 0 3 421.541 2.641 40 0 HFABHN CCc1ccccc1C(=O)N1CCC2(CO[C@@H](CN3CC[C@@H](C)[C@H](O)C3)C2)CC1 ZINC000585104602 559027165 /nfs/dbraw/zinc/02/71/65/559027165.db2.gz RBWYCTQPEVULPI-SYYKKAFVSA-N 0 3 400.563 2.963 40 0 HFABHN CCn1cc(CN2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NCc3cc(F)cc(F)c3)C2)cn1 ZINC000585109261 559030407 /nfs/dbraw/zinc/03/04/07/559030407.db2.gz FJTOFKVVZGWNJH-UIFIKXQLSA-N 0 3 418.488 2.725 40 0 HFABHN CCCN1CCN(C(=O)CNC)C[C@@H](Cc2cccc(-c3ccccc3F)c2)C1=O ZINC000585183618 559070406 /nfs/dbraw/zinc/07/04/06/559070406.db2.gz OEICWIZOLMTRRE-HXUWFJFHSA-N 0 3 411.521 2.952 40 0 HFABHN Cn1cc(CN2CCC3(C[C@@H](CC(=O)N4CCOCC4)c4ccccc43)CC2)cn1 ZINC000096052802 559092390 /nfs/dbraw/zinc/09/23/90/559092390.db2.gz OSRATUZQRJHYEP-HXUWFJFHSA-N 0 3 408.546 2.690 40 0 HFABHN COCCOc1cc(CN(C)C[C@@H](O)COc2cccc(OC)c2)ccc1OC ZINC000585262568 559111145 /nfs/dbraw/zinc/11/11/45/559111145.db2.gz UBDILVZZMXMEIZ-GOSISDBHSA-N 0 3 405.491 2.601 40 0 HFABHN CN(Cc1cccnc1)C[C@@H]1CCC2(CN(C(=O)[C@@H]3Cc4ccccc4O3)C2)OC1 ZINC000575403347 560546834 /nfs/dbraw/zinc/54/68/34/560546834.db2.gz IJDBNMKEDOCCEK-UGKGYDQZSA-N 0 3 407.514 2.525 40 0 HFABHN CC[C@@H](C(=O)NC1CCN(C)CC1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000220698079 568508486 /nfs/dbraw/zinc/50/84/86/568508486.db2.gz HNLMRAIRJLFHAR-INIZCTEOSA-N 0 3 422.378 2.748 40 0 HFABHN CN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H]1CCCCN12 ZINC000033821721 568521523 /nfs/dbraw/zinc/52/15/23/568521523.db2.gz INAWKYYRGFLTDR-MTXNFPGFSA-N 0 3 401.466 2.532 40 0 HFABHN CN(c1ccc(Cl)c(C(=O)NC2CCN(C)CC2)c1)S(=O)(=O)c1ccccc1 ZINC000224337304 568578279 /nfs/dbraw/zinc/57/82/79/568578279.db2.gz WYOIOTDWCWOFFS-UHFFFAOYSA-N 0 3 421.950 2.989 40 0 HFABHN CCC(=O)N1CCc2cc(S(=O)(=O)NCCCN3CCCC[C@H]3CC)ccc21 ZINC000260770436 568738338 /nfs/dbraw/zinc/73/83/38/568738338.db2.gz SOCOHUNUTLZQGM-GOSISDBHSA-N 0 3 407.580 2.919 40 0 HFABHN CN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)CN2CCCCC2)C1 ZINC000257240387 568787758 /nfs/dbraw/zinc/78/77/58/568787758.db2.gz HTEVZNCJYQZSKP-FQEVSTJZSA-N 0 3 423.561 2.874 40 0 HFABHN CCNc1nc(C)c(C(=O)N2CCC[C@@](O)(CN3CCC(F)(F)CC3)CC2)s1 ZINC000257268125 568795230 /nfs/dbraw/zinc/79/52/30/568795230.db2.gz MKIRLAHVBOZZHO-SFHVURJKSA-N 0 3 416.538 2.972 40 0 HFABHN CCc1[nH]nc(C(=O)N2CCC[C@](O)(CN(C)Cc3ccc(OC)cc3)CC2)c1C ZINC000257299700 568804455 /nfs/dbraw/zinc/80/44/55/568804455.db2.gz RRCRPHNRAAWOCR-HSZRJFAPSA-N 0 3 414.550 2.778 40 0 HFABHN CCN(Cc1ccncc1)C[C@]1(O)CCCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000257335164 568814666 /nfs/dbraw/zinc/81/46/66/568814666.db2.gz YIXYPEBIDRAMGL-QHCPKHFHSA-N 0 3 407.518 2.837 40 0 HFABHN NC[C@@]1(N)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218239675 568836737 /nfs/dbraw/zinc/83/67/37/568836737.db2.gz YQGKHYDGFHBWRW-HRCADAONSA-N 0 3 415.740 2.698 40 0 HFABHN COc1ccc(CN2CCO[C@]3(CN(C4CCC4)C[C@@H]3c3cccnc3)C2=O)cc1 ZINC000306125316 568888191 /nfs/dbraw/zinc/88/81/91/568888191.db2.gz CMHACGRMSYKICE-VWNXMTODSA-N 0 3 407.514 2.840 40 0 HFABHN COc1ccccc1CN1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@H]2C1 ZINC000306128553 568891350 /nfs/dbraw/zinc/89/13/50/568891350.db2.gz HDUAANRXOSDPSF-ZWKOTPCHSA-N 0 3 403.486 2.843 40 0 HFABHN CN1CC2(CCN(Cc3ccccc3F)CC2)n2cncc2[C@H]1C(=O)NC1CCC1 ZINC000306129049 568891708 /nfs/dbraw/zinc/89/17/08/568891708.db2.gz HSOSNNARVGWSMU-NRFANRHFSA-N 0 3 411.525 2.669 40 0 HFABHN O=c1c(=O)n(CC2CCCCC2)nc2n1C[C@H]1CCN(Cc3cccc(F)c3)C[C@@H]21 ZINC000306133115 568895434 /nfs/dbraw/zinc/89/54/34/568895434.db2.gz MCLXMTMHDRCKGG-UYAOXDASSA-N 0 3 412.509 2.744 40 0 HFABHN O=C1N(Cc2cccnc2)CCO[C@@]12CN(Cc1cccs1)C[C@@H]2c1cccnc1 ZINC000306138235 568900071 /nfs/dbraw/zinc/90/00/71/568900071.db2.gz RSXRIJIMUMDSEM-FYYLOGMGSA-N 0 3 420.538 2.935 40 0 HFABHN Cc1ccc(CN2C[C@H]3Cn4cc(C(=O)NC5CCCCC5)c(=O)nc4[C@@H]3C2)s1 ZINC000306139695 568901521 /nfs/dbraw/zinc/90/15/21/568901521.db2.gz TXWHKQJVHSEQFR-MAUKXSAKSA-N 0 3 412.559 2.905 40 0 HFABHN CC[C@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3ccsc3)CC1)COC2 ZINC000306142528 568904034 /nfs/dbraw/zinc/90/40/34/568904034.db2.gz XCENQZNZHIHDIH-HNNXBMFYSA-N 0 3 403.552 2.681 40 0 HFABHN CCOC[C@@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218181617 568927321 /nfs/dbraw/zinc/92/73/21/568927321.db2.gz WITKHYUWSAJNMU-UFYCRDLUSA-N 0 3 423.918 2.990 40 0 HFABHN CN(C)CCNc1nc(NCc2ccccc2Br)cc(C(F)(F)F)n1 ZINC000329069655 568975681 /nfs/dbraw/zinc/97/56/81/568975681.db2.gz YYUVXGSCYHBACC-UHFFFAOYSA-N 0 3 418.261 2.687 40 0 HFABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000252515280 569283912 /nfs/dbraw/zinc/28/39/12/569283912.db2.gz IDDWGOGVDCIUJZ-DBXWQHBBSA-N 0 3 420.506 2.988 40 0 HFABHN CCOc1ccc(CC(=O)N2CCC[C@@H](c3nc(CNC)cc(N(C)C)n3)C2)cc1 ZINC000019709561 569348114 /nfs/dbraw/zinc/34/81/14/569348114.db2.gz FIDMZFGDEGKQES-GOSISDBHSA-N 0 3 411.550 2.609 40 0 HFABHN COc1ccc(Cn2nnnc2[C@H](c2ccc(C)cc2)N2CCN3CCC[C@H]3C2)cc1 ZINC000022575927 569349795 /nfs/dbraw/zinc/34/97/95/569349795.db2.gz YDHNHBFVZHYVEZ-GMAHTHKFSA-N 0 3 418.545 2.908 40 0 HFABHN CCOC(=O)[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(F)c1 ZINC000252516694 569388037 /nfs/dbraw/zinc/38/80/37/569388037.db2.gz VYIBRQWTSZPVGD-ZHALLVOQSA-N 0 3 411.882 2.927 40 0 HFABHN Cn1cc(-c2nc3cc(NC(=O)[C@@H](N)C4CCCCC4)cc4c3-c2c[nH][nH]c4=O)cn1 ZINC000137899389 571313308 /nfs/dbraw/zinc/31/33/08/571313308.db2.gz YFNWWNRZJGMDBR-IBGZPJMESA-N 0 3 419.489 2.603 40 0 in-man HFABHN C[C@@]1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC(=O)N2C=CC=CC2=N1 ZINC000035316648 557691422 /nfs/dbraw/zinc/69/14/22/557691422.db2.gz WZDLVXHQCKKFJI-QHCPKHFHSA-N 0 3 408.502 2.963 40 0 HFABHN CC1CCN(CC(=O)N2CCC[C@H](N(C)S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC000019749774 558269474 /nfs/dbraw/zinc/26/94/74/558269474.db2.gz KJLJUVCDSPXYEW-NRFANRHFSA-N 0 3 421.607 2.561 40 0 HFABHN Cn1c2ccc(S(=O)(=O)NC3(CN4CCCC4)CCCCC3)cc2sc1=O ZINC000012239271 558359860 /nfs/dbraw/zinc/35/98/60/558359860.db2.gz HLRJYPFXAGGDKG-UHFFFAOYSA-N 0 3 409.577 2.677 40 0 HFABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@@H]1c1ccc(C)cc1 ZINC000020637185 558396431 /nfs/dbraw/zinc/39/64/31/558396431.db2.gz IZJSJUGWVYAWQP-NHCUHLMSSA-N 0 3 420.513 2.523 40 0 HFABHN Cc1ccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000013672286 558563001 /nfs/dbraw/zinc/56/30/01/558563001.db2.gz LRDCEKWQRDDCHW-UHFFFAOYSA-N 0 3 409.939 2.522 40 0 HFABHN COc1ccc(C)cc1CN1C[C@@H](C(=O)N(C)C)[C@@]2(C1)CCc1ccccc1C(=O)N2 ZINC000036748710 558802527 /nfs/dbraw/zinc/80/25/27/558802527.db2.gz RNBMAWZXLBZPRO-OFVILXPXSA-N 0 3 421.541 2.639 40 0 HFABHN Cc1ccc([C@H](C)C(=O)N[C@H](C)C(=O)N2Cc3ccccc3OC[C@@H]2CN(C)C)cc1 ZINC000072394911 558809117 /nfs/dbraw/zinc/80/91/17/558809117.db2.gz OSWNHAWWXIFIKW-JQVVWYNYSA-N 0 3 423.557 2.955 40 0 HFABHN CC(=O)N1CCC[C@@H](c2cc(=O)[n-]c(C3CC[NH+](Cc4ccsc4)CC3)n2)C1 ZINC000019017009 558837140 /nfs/dbraw/zinc/83/71/40/558837140.db2.gz PBAIOVZLVVDJQI-GOSISDBHSA-N 0 3 400.548 2.937 40 0 HFABHN COc1cccc([C@@H]2CN(C(=O)CN3CCC[C@H](C)C3)C[C@H]2c2csnn2)c1 ZINC000019496517 558895461 /nfs/dbraw/zinc/89/54/61/558895461.db2.gz NAZPZOUSOUPIMV-ZYSHUDEJSA-N 0 3 400.548 2.988 40 0 HFABHN COc1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)cc(OC)c1OC ZINC000019549910 558914583 /nfs/dbraw/zinc/91/45/83/558914583.db2.gz WXDFIGXAAMIAFP-PCCBWWKXSA-N 0 3 412.530 2.575 40 0 HFABHN CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12CCc1ccc(OC)cc1C(=O)N2 ZINC000072334418 558935624 /nfs/dbraw/zinc/93/56/24/558935624.db2.gz IUJFCZWZESZMIG-XUZZJYLKSA-N 0 3 408.498 2.805 40 0 HFABHN O=S1(=O)N[C@H](C2CCN(Cc3ccc4nccnc4c3)CC2)Nc2ccccc21 ZINC000072338941 558938465 /nfs/dbraw/zinc/93/84/65/558938465.db2.gz ZERUMEFPIUEQLP-OAQYLSRUSA-N 0 3 409.515 2.572 40 0 HFABHN CC(=O)N1CCN(Cc2ccc3ncccc3c2)C[C@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072355195 558952602 /nfs/dbraw/zinc/95/26/02/558952602.db2.gz XXYUXOPNHPXPIW-FQEVSTJZSA-N 0 3 418.545 2.614 40 0 HFABHN CCN(CC)S(=O)(=O)N1CCC[C@H](c2cc(Nc3cnccn3)cc(C)n2)C1 ZINC000072374907 558963025 /nfs/dbraw/zinc/96/30/25/558963025.db2.gz OHBFUBPODDRWHA-INIZCTEOSA-N 0 3 404.540 2.690 40 0 HFABHN Cc1nc(C)c(C(=O)N2CCC[C@@H]2CN2Cc3ccccc3OC[C@@H]2CN(C)C)o1 ZINC000072394959 558973763 /nfs/dbraw/zinc/97/37/63/558973763.db2.gz KEOUUBLMTHJZTJ-UXHICEINSA-N 0 3 412.534 2.721 40 0 HFABHN CNc1nc(C2CCN(C)CC2)nc2c1CN(C(=O)c1sc(C)nc1C)CC2 ZINC000019711380 558973788 /nfs/dbraw/zinc/97/37/88/558973788.db2.gz UEKUBRFGHUJONK-UHFFFAOYSA-N 0 3 400.552 2.599 40 0 HFABHN CCn1ncc(CN2C[C@H](NC(C)=O)[C@@H](c3cn(C)c4ccc(OC)cc34)C2)c1C ZINC000072395544 558974589 /nfs/dbraw/zinc/97/45/89/558974589.db2.gz YVRZAEOJVOFQDS-YADHBBJMSA-N 0 3 409.534 2.816 40 0 HFABHN Cc1ccc(C[NH+]2CCC(c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)CC2)s1 ZINC000072399001 558976664 /nfs/dbraw/zinc/97/66/64/558976664.db2.gz JYEUFNFICXEBRR-UHFFFAOYSA-N 0 3 412.559 2.814 40 0 HFABHN COc1cc([C@@H]2c3cc4c(cc3O[C@H](NCCO)[C@@H]2C)OCO4)cc(OC)c1OC ZINC000073410549 558986322 /nfs/dbraw/zinc/98/63/22/558986322.db2.gz CHLPTPUGQIRMDQ-PECPSLTQSA-N 0 3 417.458 2.510 40 0 HFABHN CN(C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccncc3)CC2)c2ccccc21 ZINC000096052889 559092630 /nfs/dbraw/zinc/09/26/30/559092630.db2.gz XDCNBFQIYGPJQT-HXUWFJFHSA-N 0 3 420.557 2.811 40 0 HFABHN O=C(NCc1cccnc1)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccsc3)CC2)O1 ZINC000096243821 559104935 /nfs/dbraw/zinc/10/49/35/559104935.db2.gz WTFWLZIMNGPQNC-IBGZPJMESA-N 0 3 423.542 2.546 40 0 HFABHN Cc1ccc(OC[C@@]2(O)COCCN(Cc3ccc(OCCN(C)C)cc3)C2)cc1 ZINC000585273765 559118531 /nfs/dbraw/zinc/11/85/31/559118531.db2.gz UJJKMDZSGPPEAS-DEOSSOPVSA-N 0 3 414.546 2.578 40 0 HFABHN O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(CN2CCC(Cc3ccccc3)CC2)C1 ZINC000585290412 559122952 /nfs/dbraw/zinc/12/29/52/559122952.db2.gz QZWRVAGEFLFXFK-RSXGOPAZSA-N 0 3 422.569 2.508 40 0 HFABHN CCN1CC[C@@]2(CN(c3ncccn3)CC23CCN(Cc2ccsc2)CC3)C1=O ZINC000097952892 559125051 /nfs/dbraw/zinc/12/50/51/559125051.db2.gz ASBCKKULNFPWLK-JOCHJYFZSA-N 0 3 411.575 2.879 40 0 HFABHN Cc1cc(C)nc(Nc2cc([C@H]3CCCN(C(=O)/C=C/CN(C)C)C3)nc(C)n2)n1 ZINC000585293111 559125604 /nfs/dbraw/zinc/12/56/04/559125604.db2.gz XAJPIHYBYJALRI-KOEDOTQGSA-N 0 3 409.538 2.759 40 0 HFABHN CCCCNC(=S)N(CCN(C)C)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000004133603 560600670 /nfs/dbraw/zinc/60/06/70/560600670.db2.gz VUJTYRPXKHXFBN-UHFFFAOYSA-N 0 3 404.580 2.965 40 0 HFABHN CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)[nH]c(=O)n2Cc1ccc(OC)cc1 ZINC000005001842 560620248 /nfs/dbraw/zinc/62/02/48/560620248.db2.gz FEGCIHWFMHLMOZ-SFHVURJKSA-N 0 3 408.502 2.601 40 0 HFABHN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 ZINC000223680350 568555941 /nfs/dbraw/zinc/55/59/41/568555941.db2.gz ZBSBRMHKPKLPKJ-VQTJNVASSA-N 0 3 407.499 2.803 40 0 HFABHN Cc1cc(C(=O)NCCN(C)C)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224219049 568574134 /nfs/dbraw/zinc/57/41/34/568574134.db2.gz JDGRPYJJXWUTAB-UHFFFAOYSA-N 0 3 409.939 2.765 40 0 HFABHN COC[C@@H](C)NC(=O)CN1CCC(c2cc(Nc3ccc(F)cn3)cc(C)n2)CC1 ZINC000257213064 568780001 /nfs/dbraw/zinc/78/00/01/568780001.db2.gz CGBDCSXWZUTLDU-MRXNPFEDSA-N 0 3 415.513 2.998 40 0 HFABHN O=C(c1n[nH]c2c1CCCC2)N1CCC[C@](O)(CN2CCc3ccccc3C2)CC1 ZINC000257214988 568780511 /nfs/dbraw/zinc/78/05/11/568780511.db2.gz COEXDCLYQCYQCG-XMMPIXPASA-N 0 3 408.546 2.704 40 0 HFABHN CCCN1CCN(C(=O)C(C)(C)N)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257231591 568785381 /nfs/dbraw/zinc/78/53/81/568785381.db2.gz GHKFVWVHZINEHF-FQEVSTJZSA-N 0 3 408.546 2.725 40 0 HFABHN CC1(C)Cc2cc(CN3CCC[C@@H](c4n[nH]cc4C(=O)N4CCOCC4)C3)ccc2O1 ZINC000257243247 568788371 /nfs/dbraw/zinc/78/83/71/568788371.db2.gz IGBCHTKVGWVEMZ-GOSISDBHSA-N 0 3 424.545 2.975 40 0 HFABHN CN(C)CCN(CCO)C(=O)c1ccc2c(c1)C[C@](C)(Cc1ccccc1F)O2 ZINC000257269356 568795428 /nfs/dbraw/zinc/79/54/28/568795428.db2.gz MPQDOBBZMZGIFK-QHCPKHFHSA-N 0 3 400.494 2.758 40 0 HFABHN O=C(c1n[nH]c2ccccc21)N1CCC[C@](O)(CN2CCc3ccccc3C2)CC1 ZINC000257322665 568811183 /nfs/dbraw/zinc/81/11/83/568811183.db2.gz WGXSGXPDRNWMCT-XMMPIXPASA-N 0 3 404.514 2.978 40 0 HFABHN NC[C@]1(N)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218239754 568836751 /nfs/dbraw/zinc/83/67/51/568836751.db2.gz YQGKHYDGFHBWRW-JYJNAYRXSA-N 0 3 415.740 2.698 40 0 HFABHN Cc1ncsc1CN1CCC2(CCc3nnc(C(=O)NC4CCCC4)n3C2)CC1 ZINC000306132321 568894622 /nfs/dbraw/zinc/89/46/22/568894622.db2.gz LFCRPLGYTPJUDL-UHFFFAOYSA-N 0 3 414.579 2.944 40 0 HFABHN CC(C)n1ccc(-c2nc(C(=O)NCCCN3CCN(C)CC3)c3ccccn32)c1 ZINC000306134908 568896866 /nfs/dbraw/zinc/89/68/66/568896866.db2.gz OBHQIEIBHWJTRN-UHFFFAOYSA-N 0 3 408.550 2.751 40 0 HFABHN CC[C@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3cccs3)CC1)COC2 ZINC000306135061 568896982 /nfs/dbraw/zinc/89/69/82/568896982.db2.gz OGKIYYMEVSRQEV-HNNXBMFYSA-N 0 3 403.552 2.681 40 0 HFABHN Cc1ccc(CN2C[C@@H]3c4nnc(C(=O)NCc5ccc(F)cc5)n4CC[C@@H]3C2)o1 ZINC000306138959 568900939 /nfs/dbraw/zinc/90/09/39/568900939.db2.gz SLTKCMBPEBTNIK-APWZRJJASA-N 0 3 409.465 2.868 40 0 HFABHN COc1ccccc1CN1C[C@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@@H]2C1 ZINC000306142826 568904489 /nfs/dbraw/zinc/90/44/89/568904489.db2.gz XLDHINRYTJVFGK-SJORKVTESA-N 0 3 421.476 2.982 40 0 HFABHN COc1ccc(CN2CCO[C@@]3(CN(CC4CC4)C[C@@H]3c3cccnc3)C2=O)cc1 ZINC000306144270 568905594 /nfs/dbraw/zinc/90/55/94/568905594.db2.gz ZAUYUNSRSGWILJ-ISKFKSNPSA-N 0 3 407.514 2.697 40 0 HFABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218652450 568942714 /nfs/dbraw/zinc/94/27/14/568942714.db2.gz BTXJLVOOORJGIC-JENIJYKNSA-N 0 3 411.882 2.927 40 0 HFABHN CN(C)CCNc1nc(Nc2ccccc2OC(F)(F)F)cc(-c2ccncc2)n1 ZINC000329000122 568971963 /nfs/dbraw/zinc/97/19/63/568971963.db2.gz JZXFZYUMUSYBKT-UHFFFAOYSA-N 0 3 418.423 2.998 40 0 HFABHN CCN(C(=O)CN1CCC[C@@H](c2nc(CNC)cc(N(C)C)n2)C1)c1cccc(C)c1 ZINC000019709635 569348071 /nfs/dbraw/zinc/34/80/71/569348071.db2.gz CSXUHZXYBOGJAB-LJQANCHMSA-N 0 3 424.593 2.803 40 0 HFABHN CNc1nc([C@@H]2CCCN2)nc2c1CCN(C(=O)C(C)(C)c1ccc(OC)cc1)C2 ZINC000019707128 569428857 /nfs/dbraw/zinc/42/88/57/569428857.db2.gz DSDHGCCGJJOUHZ-SFHVURJKSA-N 0 3 409.534 2.814 40 0 HFABHN CCc1cc(N2CCc3cc(Br)ccc3C2)nc(NCCN(C)C)n1 ZINC000329051982 571309762 /nfs/dbraw/zinc/30/97/62/571309762.db2.gz VBAYZFXIQCZPRO-UHFFFAOYSA-N 0 3 404.356 3.338 40 0 HFABHN CN(Cc1nc(C2(O)CCN(C3CCN(C)CC3)CC2)cs1)Cc1cccnc1 ZINC000225425710 291220717 /nfs/dbraw/zinc/22/07/17/291220717.db2.gz YUIWGNUMQXYNIE-UHFFFAOYSA-N 0 3 415.607 2.548 40 0 biogenic,in-vitro HFABHN Cc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccc(S(C)(=O)=O)cc2)C3)cc1 ZINC000096269401 291226760 /nfs/dbraw/zinc/22/67/60/291226760.db2.gz NCISWZXKBICTSJ-IBGZPJMESA-N 0 3 411.527 2.951 40 0 biogenic,in-vitro HFABHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC(Cc2nn(C)cc2C(N)=O)CC1 ZINC000019756612 558274562 /nfs/dbraw/zinc/27/45/62/558274562.db2.gz FXOPEKHEMUNJEO-UHFFFAOYSA-N 0 3 424.524 2.915 40 0 HFABHN COC[C@H](O)CNCc1cc2c(-c3cccc(F)c3)nn(-c3ccccc3)c2[nH]c1=O ZINC000012146452 558338057 /nfs/dbraw/zinc/33/80/57/558338057.db2.gz MQSNWVHIVFCMOO-LJQANCHMSA-N 0 3 422.460 2.617 40 0 HFABHN Cn1c2ccc(S(=O)(=O)N3CCCC[C@H]3CN3CCCCC3)cc2sc1=O ZINC000012239402 558359811 /nfs/dbraw/zinc/35/98/11/558359811.db2.gz RXQKHUWVNACGRI-HNNXBMFYSA-N 0 3 409.577 2.629 40 0 HFABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(OCC)cc1 ZINC000020636796 558396183 /nfs/dbraw/zinc/39/61/83/558396183.db2.gz XFWNWTMHNMWJBT-NHCUHLMSSA-N 0 3 421.497 2.850 40 0 HFABHN COCCOc1ccc(CN2CCc3nc(C(C)C)[nH]c(=O)c3CC2)cc1OC ZINC000019453755 558890936 /nfs/dbraw/zinc/89/09/36/558890936.db2.gz BXQZAKLDGSBFRQ-UHFFFAOYSA-N 0 3 401.507 2.528 40 0 HFABHN CCN1CCC(n2nccc2NC(=O)CN2C(=O)COc3c(Cl)cccc32)CC1 ZINC000019527055 558908119 /nfs/dbraw/zinc/90/81/19/558908119.db2.gz UISMZZHVWYINOJ-UHFFFAOYSA-N 0 3 417.897 2.557 40 0 HFABHN COc1cc(C[N@@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)ccc1OC(F)F ZINC000019550108 558914866 /nfs/dbraw/zinc/91/48/66/558914866.db2.gz GUTWLDJONLWFSS-UHFFFAOYSA-N 0 3 420.460 2.581 40 0 HFABHN COc1cc(C[N@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)ccc1OC(F)F ZINC000019550108 558914868 /nfs/dbraw/zinc/91/48/68/558914868.db2.gz GUTWLDJONLWFSS-UHFFFAOYSA-N 0 3 420.460 2.581 40 0 HFABHN COc1ccc(F)c([C@@H]2NC(=O)CC[C@H]2NCc2cc(OC)c(O)c(OC)c2)c1 ZINC000019552642 558916046 /nfs/dbraw/zinc/91/60/46/558916046.db2.gz MDHDXXGCUUONBM-UZLBHIALSA-N 0 3 404.438 2.667 40 0 HFABHN COc1cc(C)c(C[N@@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)cc1C ZINC000019567319 558926707 /nfs/dbraw/zinc/92/67/07/558926707.db2.gz USNGWXMCOANATR-SFHVURJKSA-N 0 3 412.534 2.612 40 0 HFABHN COc1cc(C)c(C[N@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)cc1C ZINC000019567319 558926710 /nfs/dbraw/zinc/92/67/10/558926710.db2.gz USNGWXMCOANATR-SFHVURJKSA-N 0 3 412.534 2.612 40 0 HFABHN CN1CCC(NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C(=O)c2ccc(F)cc2)CC1 ZINC000019588182 558940106 /nfs/dbraw/zinc/94/01/06/558940106.db2.gz KIBNHIFLHIRUAT-DHIUTWEWSA-N 0 3 423.532 2.967 40 0 HFABHN CC(=O)N1CCN(Cc2ccc3[nH]ccc3c2)C[C@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072355246 558952597 /nfs/dbraw/zinc/95/25/97/558952597.db2.gz FJEJFRPOXGHMSZ-IBGZPJMESA-N 0 3 406.534 2.547 40 0 HFABHN CNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)[C@H]1CCN1C1CCCCC1 ZINC000019697304 558964921 /nfs/dbraw/zinc/96/49/21/558964921.db2.gz AYIZSEZTSRWWGH-OAQYLSRUSA-N 0 3 421.545 2.569 40 0 HFABHN CN1CC[C@@]2(CN(c3ncccn3)CC23CCN(Cc2ccc(F)cc2)CC3)C1=O ZINC000096036359 559089940 /nfs/dbraw/zinc/08/99/40/559089940.db2.gz WIAHIKAZHNJJJM-HSZRJFAPSA-N 0 3 409.509 2.567 40 0 HFABHN CN(C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)N3CCCC3)CC2)c2ccccc21 ZINC000096052917 559092757 /nfs/dbraw/zinc/09/27/57/559092757.db2.gz YKMLYYCJHFGINR-LJQANCHMSA-N 0 3 412.578 2.791 40 0 HFABHN CC(C)CCN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CCN(C)C)[C@H]2CC1 ZINC000096145922 559097641 /nfs/dbraw/zinc/09/76/41/559097641.db2.gz IDSXTAHHBUIVFY-OALUTQOASA-N 0 3 409.596 2.510 40 0 HFABHN O=C(NCc1cccnc1)[C@H]1Cn2ccnc2C2(CCN(Cc3cccs3)CC2)O1 ZINC000096243818 559104957 /nfs/dbraw/zinc/10/49/57/559104957.db2.gz VNJVPYHHUPFOAL-LJQANCHMSA-N 0 3 423.542 2.546 40 0 HFABHN CCOc1ccccc1OC[C@H](O)CN(C)Cc1ccc(OC)c(OCCOC)c1 ZINC000585269963 559116074 /nfs/dbraw/zinc/11/60/74/559116074.db2.gz RCAQNXUCJQNKIH-LJQANCHMSA-N 0 3 419.518 2.991 40 0 HFABHN O=C(Cc1ccc(Cl)cc1)N1CC[C@@H](O)[C@](O)(CNCc2ccc(Cl)cc2)C1 ZINC000585289389 559122422 /nfs/dbraw/zinc/12/24/22/559122422.db2.gz FRLIQXZLPXCYRB-CTNGQTDRSA-N 0 3 423.340 2.650 40 0 HFABHN CC(C)(C)[C@H]1CC[C@](O)(CN2CC[C@H](O)[C@@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585287594 559123140 /nfs/dbraw/zinc/12/31/40/559123140.db2.gz PGHNQXJRRJERHG-BPCBYJRWSA-N 0 3 409.542 2.970 40 0 HFABHN CN(Cc1ccc(OCc2ccccn2)cc1)C[C@]1(O)CCN(c2ncccn2)C1 ZINC000257210098 559282614 /nfs/dbraw/zinc/28/26/14/559282614.db2.gz BTDQYYYAYJOLQG-HSZRJFAPSA-N 0 3 405.502 2.524 40 0 HFABHN CN(Cc1ccc(OCCN2CCCC2=O)cc1)C[C@H](O)COC1CCCCC1 ZINC000257311783 559286153 /nfs/dbraw/zinc/28/61/53/559286153.db2.gz UKZMULWUGNIHPA-FQEVSTJZSA-N 0 3 404.551 2.830 40 0 HFABHN CN(Cc1ccc(OCC(=O)N2CCCC2)cc1)C[C@H](O)COC1CCCCC1 ZINC000257308799 559286214 /nfs/dbraw/zinc/28/62/14/559286214.db2.gz TYDIVHZHLBKLIX-FQEVSTJZSA-N 0 3 404.551 2.830 40 0 HFABHN CN(Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)[C@H]3Cc4ccccc4O3)C2)OC1 ZINC000575403344 560546905 /nfs/dbraw/zinc/54/69/05/560546905.db2.gz IJDBNMKEDOCCEK-DENIHFKCSA-N 0 3 407.514 2.525 40 0 HFABHN Cc1cc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=S)NC[C@@H]3CCCO3)cc2c1 ZINC000004133503 560600573 /nfs/dbraw/zinc/60/05/73/560600573.db2.gz BKKDVHUQPXCGAB-IBGZPJMESA-N 0 3 416.591 2.562 40 0 HFABHN Cc1cc(C)c2cc(CN(CCN(C)C)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1 ZINC000004133529 560600620 /nfs/dbraw/zinc/60/06/20/560600620.db2.gz MHJGWLLQMSDNJY-GOSISDBHSA-N 0 3 416.591 2.562 40 0 HFABHN CC(C)c1ccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccccc2)cc1 ZINC000010111519 560763835 /nfs/dbraw/zinc/76/38/35/560763835.db2.gz ZSGVHDFOTRCBMU-UHFFFAOYSA-N 0 3 403.548 2.683 40 0 HFABHN CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000224850350 568600142 /nfs/dbraw/zinc/60/01/42/568600142.db2.gz XMYAZWGEDKWOSX-UHFFFAOYSA-N 0 3 422.572 2.555 40 0 HFABHN CN(C)C(=O)[C@@]1(c2ccccn2)CCCN(C(=O)c2ccccc2CN2CCCC2)C1 ZINC000257210697 568779460 /nfs/dbraw/zinc/77/94/60/568779460.db2.gz BVSWJMIRTRTHPC-VWLOTQADSA-N 0 3 420.557 2.940 40 0 HFABHN CN(C(=O)c1ccc(OCCN2CCCCC2)cc1)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O ZINC000257232562 568785518 /nfs/dbraw/zinc/78/55/18/568785518.db2.gz GLJXSWKHGWUXEU-YPAWHYETSA-N 0 3 412.534 2.584 40 0 HFABHN CC(=O)Nc1ccc(C(=O)N2CCC[C@@](O)(CN3CCC(F)(F)CC3)CC2)cc1 ZINC000257247646 568789448 /nfs/dbraw/zinc/78/94/48/568789448.db2.gz IZXMJVQWDUOIIX-FQEVSTJZSA-N 0 3 409.477 2.733 40 0 HFABHN CC(=O)Nc1ccc(C(=O)N2CCC[C@](O)(CN3CCC(F)(F)CC3)CC2)cc1 ZINC000257247647 568789523 /nfs/dbraw/zinc/78/95/23/568789523.db2.gz IZXMJVQWDUOIIX-HXUWFJFHSA-N 0 3 409.477 2.733 40 0 HFABHN Cc1nccn1[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(OCCN3CCCC3)c2)[C@H]1O ZINC000257314859 568808692 /nfs/dbraw/zinc/80/86/92/568808692.db2.gz UYVAIROIQVURQS-YPAWHYETSA-N 0 3 412.534 2.503 40 0 HFABHN CN(Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)Cc2ccc(CO)cc2)CC1 ZINC000257340833 568816196 /nfs/dbraw/zinc/81/61/96/568816196.db2.gz ZHRNWACTMGBFDZ-DEOSSOPVSA-N 0 3 414.521 2.736 40 0 HFABHN CN1C[C@H](C(=O)NCc2cccs2)OC2(CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000306123068 568886310 /nfs/dbraw/zinc/88/63/10/568886310.db2.gz ADUREHQGFKRQPF-HXUWFJFHSA-N 0 3 417.550 2.869 40 0 HFABHN O=C(NCc1ccccc1)c1cn2c(nc1=O)[C@]1(CCN(Cc3ccccc3)C1)CC2 ZINC000306126777 568889474 /nfs/dbraw/zinc/88/94/74/568889474.db2.gz FEZYZIOOXBADGG-RUZDIDTESA-N 0 3 414.509 2.721 40 0 HFABHN CC[C@@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3ccc(F)cc3)CC1)COC2 ZINC000306130187 568892444 /nfs/dbraw/zinc/89/24/44/568892444.db2.gz IYWLIFKMVFWKBT-MRXNPFEDSA-N 0 3 415.513 2.758 40 0 HFABHN COc1cccc(CN2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306130119 568892484 /nfs/dbraw/zinc/89/24/84/568892484.db2.gz IWNPVSVMNUENQS-IBGZPJMESA-N 0 3 407.518 2.954 40 0 HFABHN CC(C)n1cc(CN2C[C@@H]3Cn4c(nnc4C(=O)Nc4ccccc4)C[C@@H]3C2)cn1 ZINC000306131592 568893902 /nfs/dbraw/zinc/89/39/02/568893902.db2.gz KJJYIUYJPPTEJW-QZTJIDSGSA-N 0 3 405.506 2.612 40 0 HFABHN O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccc4c(c3)OCO4)C[C@H]1C2 ZINC000306136342 568898210 /nfs/dbraw/zinc/89/82/10/568898210.db2.gz PQMUAVORWZQSIC-SJORKVTESA-N 0 3 417.469 2.563 40 0 HFABHN COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CCN(Cc3ccsc3)CC2)C1 ZINC000306143801 568905262 /nfs/dbraw/zinc/90/52/62/568905262.db2.gz YNFWLIYKBVJAKG-UHFFFAOYSA-N 0 3 424.530 2.975 40 0 HFABHN CCOC[C@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218170013 568926904 /nfs/dbraw/zinc/92/69/04/568926904.db2.gz OUSLNOBMRLNRBX-PCCBWWKXSA-N 0 3 403.500 2.645 40 0 HFABHN CCOC[C@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218181710 568927262 /nfs/dbraw/zinc/92/72/62/568927262.db2.gz WITKHYUWSAJNMU-SLFFLAALSA-N 0 3 423.918 2.990 40 0 HFABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Br)cc3)[C@@]2(CN)CO)cc1 ZINC000218227488 568928444 /nfs/dbraw/zinc/92/84/44/568928444.db2.gz GFDFATLUFGQKDN-KZNAEPCWSA-N 0 3 410.333 2.635 40 0 HFABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218660355 568942737 /nfs/dbraw/zinc/94/27/37/568942737.db2.gz IMWMOEVGGCHCBX-BBTUJRGHSA-N 0 3 420.506 2.988 40 0 HFABHN CCOC(=O)[C@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218652292 568942745 /nfs/dbraw/zinc/94/27/45/568942745.db2.gz BTXJLVOOORJGIC-ZIFCJYIRSA-N 0 3 411.882 2.927 40 0 HFABHN CN(C)CCNc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2ccccn2)n1 ZINC000329040751 568974367 /nfs/dbraw/zinc/97/43/67/568974367.db2.gz SEOKHOSMGLFFPI-UHFFFAOYSA-N 0 3 418.423 2.998 40 0 HFABHN CN(C)CCNc1nc(Nc2cccc(Br)c2)cc(-c2cccnc2)n1 ZINC000329043041 568974404 /nfs/dbraw/zinc/97/44/04/568974404.db2.gz SPVHTJWSJFLAEM-UHFFFAOYSA-N 0 3 413.323 2.862 40 0 HFABHN CN(C)CCNc1nc(Nc2cccc(Br)c2)cc(-c2ccncc2)n1 ZINC000329068968 568975597 /nfs/dbraw/zinc/97/55/97/568975597.db2.gz YSZLBCCQPPCCOY-UHFFFAOYSA-N 0 3 413.323 2.862 40 0 HFABHN CCN1CCN(c2ccc(N)cc2NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000226259763 569278645 /nfs/dbraw/zinc/27/86/45/569278645.db2.gz ZDNOGFZLZWRECI-UHFFFAOYSA-N 0 3 414.506 2.689 40 0 HFABHN COc1ccccc1CN1CCC[C@H](c2nn(CCNC(C)=O)c3ncccc23)C1 ZINC000012219529 569344765 /nfs/dbraw/zinc/34/47/65/569344765.db2.gz NCCCWHSQAMPDHF-IBGZPJMESA-N 0 3 407.518 2.956 40 0 HFABHN