smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)c(C)c3)cc2)n1 ZINC000000674660 551521365 /nfs/dbraw/zinc/52/13/65/551521365.db2.gz XNKDYPWOIREYOT-UHFFFAOYSA-N 0 1 505.394 3.983 50 0 KHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3I)cc2)n1 ZINC000000705494 551531326 /nfs/dbraw/zinc/53/13/26/551531326.db2.gz CGKIBEJZPKPUPV-UHFFFAOYSA-N 0 1 508.341 3.751 50 0 KHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(I)c3)cc2)n1 ZINC000000710359 551533056 /nfs/dbraw/zinc/53/30/56/551533056.db2.gz QRSOEDLWYUONSZ-UHFFFAOYSA-N 0 1 508.341 3.751 50 0 KHAAMN COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(Br)c(OC)c1OC ZINC000000936818 551587048 /nfs/dbraw/zinc/58/70/48/551587048.db2.gz ICTGHVGZKNATQC-UHFFFAOYSA-N 0 1 522.377 3.923 50 0 KHAAMN O=C(COc1ccc(Br)cc1Br)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000000942841 551588229 /nfs/dbraw/zinc/58/82/29/551588229.db2.gz IIUYKGOLWRTUMP-UHFFFAOYSA-N 0 1 542.209 3.820 50 0 KHAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 ZINC000001096272 551607615 /nfs/dbraw/zinc/60/76/15/551607615.db2.gz CLGBUCQOZSPKHL-UHFFFAOYSA-N 0 1 531.656 3.826 50 0 KHAAMN Nc1ncnc2[nH]c(SCc3nc4ccc(I)cc4c(=O)n3-c3ccccc3)nc21 ZINC000001104823 551609519 /nfs/dbraw/zinc/60/95/19/551609519.db2.gz NZRVQCHTGVQQMR-UHFFFAOYSA-N 0 1 527.351 3.531 50 0 KHAAMN O=C(Nc1ccc(S(=O)(=O)Nc2nccc([C@H]3Cc4ccccc4C(=O)O3)n2)cc1)c1ccccc1 ZINC000001122636 551613284 /nfs/dbraw/zinc/61/32/84/551613284.db2.gz MNMFEYNSEYCBMC-HSZRJFAPSA-N 0 1 500.536 3.984 50 0 KHAAMN O=C(Nc1ccc(S(=O)(=O)Nc2nccc([C@@H]3Cc4ccccc4C(=O)O3)n2)cc1)c1ccccc1 ZINC000001122638 551613340 /nfs/dbraw/zinc/61/33/40/551613340.db2.gz MNMFEYNSEYCBMC-QHCPKHFHSA-N 0 1 500.536 3.984 50 0 KHAAMN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)c(OCC(=O)OCC)c(OC)c2)NC(=S)N1 ZINC000001123675 551613813 /nfs/dbraw/zinc/61/38/13/551613813.db2.gz KFZZSNFYXGNISZ-GOSISDBHSA-N 0 1 515.426 3.536 50 0 KHAAMN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)c(OCC(=O)OCC)c(OC)c2)NC(=S)N1 ZINC000001123678 551613779 /nfs/dbraw/zinc/61/37/79/551613779.db2.gz KFZZSNFYXGNISZ-SFHVURJKSA-N 0 1 515.426 3.536 50 0 KHAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c1 ZINC000001148274 551618751 /nfs/dbraw/zinc/61/87/51/551618751.db2.gz CQNXHSFMFFAGGA-UHFFFAOYSA-N 0 1 547.655 3.526 50 0 KHAAMN Cc1cccc(Cn2c3c(nc2N2CCN(C(c4ccccc4)c4ccccc4)CC2)n(C)c(=O)n(C)c3=O)c1 ZINC000001264413 551634003 /nfs/dbraw/zinc/63/40/03/551634003.db2.gz SBYPIZBMYTZODW-UHFFFAOYSA-N 0 1 534.664 3.702 50 0 KHAAMN CCOc1ccc2nc(SCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)[C@H]3C(C)C)[nH]c2c1 ZINC000001432415 551670402 /nfs/dbraw/zinc/67/04/02/551670402.db2.gz GQYAABVEZZFRGZ-QHCPKHFHSA-N 0 1 502.662 3.877 50 0 KHAAMN CCOc1ccc2nc(SCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)[C@@H]3C(C)C)[nH]c2c1 ZINC000001432416 551670501 /nfs/dbraw/zinc/67/05/01/551670501.db2.gz GQYAABVEZZFRGZ-HSZRJFAPSA-N 0 1 502.662 3.877 50 0 KHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)cc2)n1 ZINC000001770497 551696101 /nfs/dbraw/zinc/69/61/01/551696101.db2.gz WJVNRHMDRRVCFF-UHFFFAOYSA-N 0 1 543.671 3.711 50 0 KHAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1c(=O)[nH]nc(-c2ccccc2)c1-c1ccccc1 ZINC000001792152 551701896 /nfs/dbraw/zinc/70/18/96/551701896.db2.gz MRBSYRVDYJBHCN-UHFFFAOYSA-N 0 1 524.562 3.947 50 0 KHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccccc3I)cc2)n1 ZINC000001870155 551719398 /nfs/dbraw/zinc/71/93/98/551719398.db2.gz RSBXSAAEYIRUHU-UHFFFAOYSA-N 0 1 567.434 3.626 50 0 KHAAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000002075629 551749646 /nfs/dbraw/zinc/74/96/46/551749646.db2.gz GHFDAGCJKVLYDL-LYFUXTGPSA-N 0 1 549.432 3.828 50 0 KHAAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000002075631 551749914 /nfs/dbraw/zinc/74/99/14/551749914.db2.gz GHFDAGCJKVLYDL-BYHQVZLYSA-N 0 1 549.432 3.828 50 0 KHAAMN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1cc(O)c2c(c1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000002099651 551762030 /nfs/dbraw/zinc/76/20/30/551762030.db2.gz VUOFIHCZMOIBFY-HSZRJFAPSA-N 0 1 570.554 3.697 50 0 biogenic KHAAMN COc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3ccc(C(C)C)cc3)(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000002119390 551769807 /nfs/dbraw/zinc/76/98/07/551769807.db2.gz SNOHKUOVOVOBSB-FFWRNVBBSA-N 0 1 568.674 3.912 50 0 biogenic KHAAMN CCc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3ccc(Cl)cc3)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000002134512 551773288 /nfs/dbraw/zinc/77/32/88/551773288.db2.gz WKUKGVKEJAITGE-INEJIFKHSA-N 0 1 559.066 3.995 50 0 biogenic KHAAMN NS(=O)(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc5ccccc54)C3=O)o2)cc1 ZINC000002138424 551774229 /nfs/dbraw/zinc/77/42/29/551774229.db2.gz OBVONTDOOZPQNO-XSFVSMFZSA-N 0 1 503.561 3.579 50 0 KHAAMN COc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3cccc4ccccc43)(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000002139210 551774423 /nfs/dbraw/zinc/77/44/23/551774423.db2.gz NHYNHBHHRRLDCE-HLBJECCASA-N 0 1 576.653 3.941 50 0 biogenic KHAAMN COc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3cccc4ccccc43)(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000002139212 551774392 /nfs/dbraw/zinc/77/43/92/551774392.db2.gz NHYNHBHHRRLDCE-GSMFYCGBSA-N 0 1 576.653 3.941 50 0 biogenic KHAAMN CCOc1ccc(C[C@@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000002139479 551774636 /nfs/dbraw/zinc/77/46/36/551774636.db2.gz FFXRJMBKRMFLEQ-RNDKRWLGSA-N 0 1 568.674 3.741 50 0 biogenic KHAAMN CCN(CC)C(=O)CN1c2ccccc2[C@@]2(N[C@H](Cc3c[nH]c4ccccc34)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000002192610 551790916 /nfs/dbraw/zinc/79/09/16/551790916.db2.gz NARPJTZOCATBAH-YADSSGSTSA-N 0 1 589.696 3.594 50 0 KHAAMN CCCCOC[C@@H]1C[C@@]2(C[C@](C)(C(=O)CSc3nc(-c4ccccc4Cl)n[nH]3)OC2=O)C(=O)O1 ZINC000002263280 551803962 /nfs/dbraw/zinc/80/39/62/551803962.db2.gz KPBXLCZGZGNIOY-NYDQNWGQSA-N 0 1 507.996 3.611 50 0 biogenic KHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(Br)cc3)cc2)n1 ZINC000002340183 552097750 /nfs/dbraw/zinc/09/77/50/552097750.db2.gz QCJQJEZEOSMISB-UHFFFAOYSA-N 0 1 520.434 3.784 50 0 KHAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccnn1C ZINC000002415814 552114799 /nfs/dbraw/zinc/11/47/99/552114799.db2.gz WWHDJJDKTKLCPB-NXCFDTQHSA-N 0 1 542.523 3.838 50 0 KHAAMN COc1ccc(C2=N/C(=C/c3ccc(-c4ccc(S(=O)(=O)Nc5ncccn5)cc4)o3)C(=O)O2)cc1 ZINC000002620282 552137944 /nfs/dbraw/zinc/13/79/44/552137944.db2.gz NOFKSOUNVNEBIH-RCCKNPSSSA-N 0 1 502.508 3.891 50 0 KHAAMN COc1ccccc1NS(=O)(=O)c1ccc2oc(SCC(=O)NCc3ccc4c(c3)OCO4)nc2c1 ZINC000002622340 552138400 /nfs/dbraw/zinc/13/84/00/552138400.db2.gz SKLYVMVDFHAIGR-UHFFFAOYSA-N 0 1 527.580 3.774 50 0 KHAAMN Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cc2C1=O ZINC000002654909 552148411 /nfs/dbraw/zinc/14/84/11/552148411.db2.gz XXHIKKOKEJNIFM-UHFFFAOYSA-N 0 1 513.535 3.639 50 0 KHAAMN COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)ccc1OCc1c(C)noc1C ZINC000002657506 552149649 /nfs/dbraw/zinc/14/96/49/552149649.db2.gz JEHGIUWDYHWTPV-UHFFFAOYSA-N 0 1 509.544 3.722 50 0 KHAAMN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 ZINC000002709320 552160742 /nfs/dbraw/zinc/16/07/42/552160742.db2.gz XVMVSPXZFCLASR-UHFFFAOYSA-N 0 1 531.660 3.649 50 0 KHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)cc2)n1 ZINC000002709349 552160719 /nfs/dbraw/zinc/16/07/19/552160719.db2.gz LTXYNNSZMKJGBP-UHFFFAOYSA-N 0 1 563.661 3.980 50 0 KHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)cc2)n1 ZINC000002709391 552160711 /nfs/dbraw/zinc/16/07/11/552160711.db2.gz BKVHUIMAXWCZMD-UHFFFAOYSA-N 0 1 563.661 3.585 50 0 KHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)cc2)n1 ZINC000002709457 552160744 /nfs/dbraw/zinc/16/07/44/552160744.db2.gz DURPESPMXVJXHF-UHFFFAOYSA-N 0 1 537.623 3.663 50 0 KHAAMN CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 ZINC000002709505 552160734 /nfs/dbraw/zinc/16/07/34/552160734.db2.gz SIQNXACBXANGEJ-UHFFFAOYSA-N 0 1 531.660 3.649 50 0 KHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)cc2)n1 ZINC000002709508 552160726 /nfs/dbraw/zinc/16/07/26/552160726.db2.gz WSJFQPMBHBFOEO-UHFFFAOYSA-N 0 1 543.671 3.791 50 0 KHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)cc2)n1 ZINC000002709517 552160722 /nfs/dbraw/zinc/16/07/22/552160722.db2.gz CNOVKKRMWUDLPK-UHFFFAOYSA-N 0 1 551.650 3.659 50 0 KHAAMN COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3cccc4ccccc43)[nH]c2=O)cc1OC ZINC000002712597 552160940 /nfs/dbraw/zinc/16/09/40/552160940.db2.gz STUUOKZWTFZMKF-UHFFFAOYSA-N 0 1 505.556 3.506 50 0 KHAAMN CCn1c2ccccc2c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)nc21 ZINC000002751076 552175729 /nfs/dbraw/zinc/17/57/29/552175729.db2.gz SNENOCAZWRPCBD-UHFFFAOYSA-N 0 1 548.654 3.938 50 0 KHAAMN Cc1nn(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)o2)c(C)c1Br ZINC000002762432 552183016 /nfs/dbraw/zinc/18/30/16/552183016.db2.gz WTLNIQLIYQKGAQ-UHFFFAOYSA-N 0 1 531.392 3.747 50 0 KHAAMN CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)nnc1-c1ccccc1 ZINC000002835551 552197438 /nfs/dbraw/zinc/19/74/38/552197438.db2.gz KDSDOHFNKBVUQT-UHFFFAOYSA-N 0 1 509.617 3.595 50 0 KHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccccc3Br)cc2)n1 ZINC000002842069 552199435 /nfs/dbraw/zinc/19/94/35/552199435.db2.gz NHLZDBLEFRCNGJ-UHFFFAOYSA-N 0 1 520.434 3.784 50 0 KHAAMN COc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1I ZINC000002843802 552200140 /nfs/dbraw/zinc/20/01/40/552200140.db2.gz OETPOACJWKXUJU-UHFFFAOYSA-N 0 1 597.460 3.634 50 0 KHAAMN O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)Nc2ccc(I)cc2)cc1 ZINC000002856815 552202544 /nfs/dbraw/zinc/20/25/44/552202544.db2.gz HJWKBJQOHUZHFQ-UHFFFAOYSA-N 0 1 511.370 3.691 50 0 KHAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2Cl)cc1 ZINC000002879121 552208203 /nfs/dbraw/zinc/20/82/03/552208203.db2.gz QEWMWYNQKVRAMP-UHFFFAOYSA-N 0 1 550.058 3.722 50 0 KHAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)cc2)c1 ZINC000002882078 552208817 /nfs/dbraw/zinc/20/88/17/552208817.db2.gz LDODWIBIYBCYSB-UHFFFAOYSA-N 0 1 512.993 3.967 50 0 KHAAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000002915249 552216568 /nfs/dbraw/zinc/21/65/68/552216568.db2.gz YWHXJXXVLLSJIS-JYWRCUDFSA-N 0 1 519.406 3.819 50 0 KHAAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000002915253 552216547 /nfs/dbraw/zinc/21/65/47/552216547.db2.gz YWHXJXXVLLSJIS-JZVSFUAJSA-N 0 1 519.406 3.819 50 0 KHAAMN O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000002965568 552235836 /nfs/dbraw/zinc/23/58/36/552235836.db2.gz APTRSTSCRHALAU-IBGZPJMESA-N 0 1 516.545 3.664 50 0 KHAAMN O=C(CC[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000002965571 552235787 /nfs/dbraw/zinc/23/57/87/552235787.db2.gz APTRSTSCRHALAU-LJQANCHMSA-N 0 1 516.545 3.664 50 0 KHAAMN COc1ccc(CCNC(=O)CCCn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1OC ZINC000002973759 552245685 /nfs/dbraw/zinc/24/56/85/552245685.db2.gz IUTHBEIZKPYDJH-UHFFFAOYSA-N 0 1 506.422 3.604 50 0 KHAAMN O=C(CCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)N1CCN(c2ccc(F)cc2)CC1 ZINC000002973773 552245651 /nfs/dbraw/zinc/24/56/51/552245651.db2.gz DCVLWACEKFAMOH-UHFFFAOYSA-N 0 1 505.413 3.716 50 0 KHAAMN O=C(CCCCCn1c(=O)c2cc(N3CCOCC3)ccc2[nH]c1=S)NCc1ccc2c(c1)OCO2 ZINC000002976077 552248552 /nfs/dbraw/zinc/24/85/52/552248552.db2.gz TXRNKHZZSWTNJC-UHFFFAOYSA-N 0 1 510.616 3.501 50 0 KHAAMN O=C(NCCc1ccccc1)c1ccc(Cn2c(=O)c3cc(N4CCOCC4)ccc3[nH]c2=S)cc1 ZINC000002976088 552248499 /nfs/dbraw/zinc/24/84/99/552248499.db2.gz IWWXOOCQOJWJLG-UHFFFAOYSA-N 0 1 500.624 3.916 50 0 KHAAMN O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cn2c(=O)c3cc(N4CCOCC4)ccc3[nH]c2=S)cc1 ZINC000002976094 552248523 /nfs/dbraw/zinc/24/85/23/552248523.db2.gz HEKZVBLOBKQRPN-UHFFFAOYSA-N 0 1 530.606 3.603 50 0 KHAAMN COc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4cc(N5CCOCC5)ccc4[nH]c3=S)cc2)cc1OC ZINC000002976097 552248516 /nfs/dbraw/zinc/24/85/16/552248516.db2.gz XBZAYGQOSAFLFM-UHFFFAOYSA-N 0 1 560.676 3.934 50 0 KHAAMN COc1ccc(CNC(=O)c2ccc(Cn3c(=O)c4cc(N5CCOCC5)ccc4[nH]c3=S)cc2)cc1 ZINC000002976099 552248556 /nfs/dbraw/zinc/24/85/56/552248556.db2.gz RYAKDKQLQYVRDQ-UHFFFAOYSA-N 0 1 516.623 3.883 50 0 KHAAMN COc1cccc(CNC(=O)c2ccc(Cn3c(=O)c4cc(N5CCOCC5)ccc4[nH]c3=S)cc2)c1 ZINC000002976109 552248494 /nfs/dbraw/zinc/24/84/94/552248494.db2.gz CQQLAHXMQBYCJX-UHFFFAOYSA-N 0 1 516.623 3.883 50 0 KHAAMN COc1cc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccc(F)c(Cl)c2)cc(OC)c1OC ZINC000003014201 552260579 /nfs/dbraw/zinc/26/05/79/552260579.db2.gz QVIBOYNLSNIFJR-UHFFFAOYSA-N 0 1 519.942 3.658 50 0 KHAAMN COc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2cccc(C(F)(F)F)c2)cc1OC ZINC000003014275 552260657 /nfs/dbraw/zinc/26/06/57/552260657.db2.gz URYYPYRSFDBHPV-UHFFFAOYSA-N 0 1 505.478 3.876 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Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012497903 553382003 /nfs/dbraw/zinc/38/20/03/553382003.db2.gz FEMQOLBSYYJZTA-UHFFFAOYSA-N 0 1 517.604 3.972 50 0 KHAAMN CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000012498321 553382234 /nfs/dbraw/zinc/38/22/34/553382234.db2.gz HCJSQDAORNTQHH-UHFFFAOYSA-N 0 1 505.593 3.909 50 0 KHAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)ccc1C ZINC000012520893 553382555 /nfs/dbraw/zinc/38/25/55/553382555.db2.gz IEPOFWLYOBWUHS-XMMPIXPASA-N 0 1 527.618 3.747 50 0 KHAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)ccc1C ZINC000012520894 553382505 /nfs/dbraw/zinc/38/25/05/553382505.db2.gz IEPOFWLYOBWUHS-DEOSSOPVSA-N 0 1 527.618 3.747 50 0 KHAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000012521561 561711169 /nfs/dbraw/zinc/71/11/69/561711169.db2.gz PECRXJFYORLHIM-MDWZMJQESA-N 0 1 500.640 3.794 50 0 KHAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)Cc2c(F)cccc2Cl)CC1 ZINC000012521680 553382803 /nfs/dbraw/zinc/38/28/03/553382803.db2.gz ZTGBCUMTFJBGEX-UHFFFAOYSA-N 0 1 523.074 3.977 50 0 KHAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@@H](C)Oc2ccc(F)cc2)CC1 ZINC000012521987 553382849 /nfs/dbraw/zinc/38/28/49/553382849.db2.gz YVFSPCXAFARSTI-HXUWFJFHSA-N 0 1 518.655 3.548 50 0 KHAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@H](C)Oc2ccc(F)cc2)CC1 ZINC000012521988 553382770 /nfs/dbraw/zinc/38/27/70/553382770.db2.gz YVFSPCXAFARSTI-FQEVSTJZSA-N 0 1 518.655 3.548 50 0 KHAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2cccc(OC(F)F)c2)CC1 ZINC000012522189 553382896 /nfs/dbraw/zinc/38/28/96/553382896.db2.gz BSCKUJATWHZPDO-UHFFFAOYSA-N 0 1 522.618 3.857 50 0 KHAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)COc2ccc(Cl)cc2C)CC1 ZINC000012522636 553382923 /nfs/dbraw/zinc/38/29/23/553382923.db2.gz XSXBGEABBOCYIF-UHFFFAOYSA-N 0 1 535.110 3.982 50 0 KHAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccc(OC(F)F)cc2)CC1 ZINC000012522678 553382919 /nfs/dbraw/zinc/38/29/19/553382919.db2.gz PTDUZSANWQRDII-UHFFFAOYSA-N 0 1 522.618 3.857 50 0 KHAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000012523038 553382944 /nfs/dbraw/zinc/38/29/44/553382944.db2.gz XZQSALDDMBADKH-UHFFFAOYSA-N 0 1 521.083 3.674 50 0 KHAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)COc2ccc(Cl)c(C)c2)CC1 ZINC000012523075 553382970 /nfs/dbraw/zinc/38/29/70/553382970.db2.gz BZWNBTIJLRHNDZ-UHFFFAOYSA-N 0 1 535.110 3.982 50 0 KHAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)COc2cc(C)ccc2Cl)CC1 ZINC000012528578 553384650 /nfs/dbraw/zinc/38/46/50/553384650.db2.gz IJEBYZKDEQWNCF-UHFFFAOYSA-N 0 1 535.110 3.982 50 0 KHAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)ccc1N1CCOCC1 ZINC000012529506 553385636 /nfs/dbraw/zinc/38/56/36/553385636.db2.gz PSJUCYFUPUGXFT-UHFFFAOYSA-N 0 1 526.615 3.732 50 0 KHAAMN CC(=O)c1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)cc1 ZINC000012532494 553386827 /nfs/dbraw/zinc/38/68/27/553386827.db2.gz IGHJCMDGKSAPSD-UHFFFAOYSA-N 0 1 505.662 3.855 50 0 KHAAMN COc1ccc(C2=N/C(=C\c3ccc(-c4ccc(S(=O)(=O)Nc5ncccn5)cc4)o3)C(=O)O2)cc1 ZINC000012533270 553387411 /nfs/dbraw/zinc/38/74/11/553387411.db2.gz NOFKSOUNVNEBIH-QNGOZBTKSA-N 0 1 502.508 3.891 50 0 KHAAMN COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2C(=O)c3ccccc3C2=O)c1 ZINC000012541276 553389233 /nfs/dbraw/zinc/38/92/33/553389233.db2.gz DFDKBWCUTQSOMY-UHFFFAOYSA-N 0 1 513.959 3.774 50 0 KHAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)ccc1C ZINC000012544744 553391232 /nfs/dbraw/zinc/39/12/32/553391232.db2.gz PGSWFLGQCMHFJO-OAQYLSRUSA-N 0 1 515.657 3.669 50 0 KHAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)ccc1C ZINC000012544745 553391205 /nfs/dbraw/zinc/39/12/05/553391205.db2.gz PGSWFLGQCMHFJO-NRFANRHFSA-N 0 1 515.657 3.669 50 0 KHAAMN CCOc1ccc(N2C[C@@H](C(=O)Nc3cccc(S(=O)(=O)Nc4ccccc4OC)c3)CC2=O)cc1 ZINC000012546646 553391661 /nfs/dbraw/zinc/39/16/61/553391661.db2.gz SLPOHYHDGFNJDT-SFHVURJKSA-N 0 1 509.584 3.886 50 0 KHAAMN CCOc1ccc(N2C[C@H](C(=O)Nc3cccc(S(=O)(=O)Nc4ccccc4OC)c3)CC2=O)cc1 ZINC000012546647 553391873 /nfs/dbraw/zinc/39/18/73/553391873.db2.gz SLPOHYHDGFNJDT-GOSISDBHSA-N 0 1 509.584 3.886 50 0 KHAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(NC(C)=O)cc2)ccc1N1CCOCC1 ZINC000012546666 553391877 /nfs/dbraw/zinc/39/18/77/553391877.db2.gz MQMZYPYMNUANLW-UHFFFAOYSA-N 0 1 524.599 3.543 50 0 KHAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=S)NC(=O)c2ccco2)ccc1N1CCCC1 ZINC000012561722 553394807 /nfs/dbraw/zinc/39/48/07/553394807.db2.gz QYDLNOHNKGLWML-UHFFFAOYSA-N 0 1 500.602 3.816 50 0 KHAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000012562850 553395171 /nfs/dbraw/zinc/39/51/71/553395171.db2.gz FNDIVOLZLHQJHS-UHFFFAOYSA-N 0 1 515.613 3.533 50 0 KHAAMN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000012563137 553395565 /nfs/dbraw/zinc/39/55/65/553395565.db2.gz MDBAKPYVHVDQBI-UHFFFAOYSA-N 0 1 503.577 3.663 50 0 KHAAMN CCCCNc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000012563577 553395857 /nfs/dbraw/zinc/39/58/57/553395857.db2.gz XMWHNEIWTADAAU-UHFFFAOYSA-N 0 1 520.608 3.738 50 0 KHAAMN O=C(CNS(=O)(=O)c1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000012564504 553396273 /nfs/dbraw/zinc/39/62/73/553396273.db2.gz WRUVJCDSYRATPG-UHFFFAOYSA-N 0 1 514.412 3.711 50 0 KHAAMN C[C@@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCCc2ccccc21 ZINC000012565668 553396770 /nfs/dbraw/zinc/39/67/70/553396770.db2.gz HHDRRYSUAWHUDM-GOSISDBHSA-N 0 1 522.579 3.783 50 0 KHAAMN C[C@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCCc2ccccc21 ZINC000012565669 553396760 /nfs/dbraw/zinc/39/67/60/553396760.db2.gz HHDRRYSUAWHUDM-SFHVURJKSA-N 0 1 522.579 3.783 50 0 KHAAMN CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000012565940 553396998 /nfs/dbraw/zinc/39/69/98/553396998.db2.gz UWRDMIXYSUFJSP-UHFFFAOYSA-N 0 1 503.646 3.508 50 0 KHAAMN CCOC(=O)N1CCC(N2CCN(c3cccc4c3C(=O)N(Cc3ccc(Cl)cc3)C4=O)CC2)CC1 ZINC000012573195 553398445 /nfs/dbraw/zinc/39/84/45/553398445.db2.gz IXLYYXZDCBOHSN-UHFFFAOYSA-N 0 1 511.022 3.879 50 0 KHAAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)NCCNC(=O)CSc1nc2cc(Cl)ccc2[nH]1 ZINC000012611729 553402361 /nfs/dbraw/zinc/40/23/61/553402361.db2.gz SZQBKYMJXYFCMA-UHFFFAOYSA-N 0 1 509.444 3.863 50 0 KHAAMN COc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)N2CCCCC2)cc1 ZINC000012633646 553406102 /nfs/dbraw/zinc/40/61/02/553406102.db2.gz MVXWJMVUJXSZBV-XMMPIXPASA-N 0 1 503.640 3.578 50 0 KHAAMN COc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)N2CCCCC2)cc1 ZINC000012633650 553406204 /nfs/dbraw/zinc/40/62/04/553406204.db2.gz MVXWJMVUJXSZBV-DEOSSOPVSA-N 0 1 503.640 3.578 50 0 KHAAMN Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccccc2C(=O)O[C@H](C)C(=O)N2CCOCC2)c1C ZINC000012634845 553406316 /nfs/dbraw/zinc/40/63/16/553406316.db2.gz RVVPAVDLFZAYSD-LJQANCHMSA-N 0 1 502.633 3.806 50 0 KHAAMN Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccccc2C(=O)O[C@@H](C)C(=O)N2CCOCC2)c1C ZINC000012634847 553406334 /nfs/dbraw/zinc/40/63/34/553406334.db2.gz RVVPAVDLFZAYSD-IBGZPJMESA-N 0 1 502.633 3.806 50 0 KHAAMN CCOC(=O)c1cc(C(C)=O)sc1NC(=O)CN1C(=O)NC(C)=C(C(=O)OCC)[C@H]1c1ccccc1 ZINC000012644662 553408719 /nfs/dbraw/zinc/40/87/19/553408719.db2.gz VZFOCPOKYYOHAM-OAQYLSRUSA-N 0 1 513.572 3.670 50 0 KHAAMN CCOC(=O)c1cc(C(C)=O)sc1NC(=O)CN1C(=O)NC(C)=C(C(=O)OCC)[C@@H]1c1ccccc1 ZINC000012644670 553408667 /nfs/dbraw/zinc/40/86/67/553408667.db2.gz VZFOCPOKYYOHAM-NRFANRHFSA-N 0 1 513.572 3.670 50 0 KHAAMN COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000012658170 553411006 /nfs/dbraw/zinc/41/10/06/553411006.db2.gz VZMSNBDYUTUXAH-UHFFFAOYSA-N 0 1 509.993 3.909 50 0 KHAAMN COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000012659723 553411524 /nfs/dbraw/zinc/41/15/24/553411524.db2.gz XQTUNLGDJJZEPO-UHFFFAOYSA-N 0 1 510.977 3.721 50 0 KHAAMN C[C@@H](OC(=O)CNS(=O)(=O)c1c(F)cc(F)cc1Br)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012935803 553427964 /nfs/dbraw/zinc/42/79/64/553427964.db2.gz YRQRZXBVZOAVMU-TWSLPJAOSA-N 0 1 520.392 3.723 50 0 KHAAMN C[C@H](OC(=O)CNS(=O)(=O)c1c(F)cc(F)cc1Br)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012935811 553427969 /nfs/dbraw/zinc/42/79/69/553427969.db2.gz YRQRZXBVZOAVMU-OWFXSXJRSA-N 0 1 520.392 3.723 50 0 KHAAMN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1 ZINC000013024166 553434222 /nfs/dbraw/zinc/43/42/22/553434222.db2.gz FACJLGXUVVXWOR-MRXNPFEDSA-N 0 1 510.454 3.570 50 0 KHAAMN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1 ZINC000013024170 553434244 /nfs/dbraw/zinc/43/42/44/553434244.db2.gz FACJLGXUVVXWOR-INIZCTEOSA-N 0 1 510.454 3.570 50 0 KHAAMN CCOC(=O)C1C(COC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000013102528 553447868 /nfs/dbraw/zinc/44/78/68/553447868.db2.gz PADMGJZNJBUEKA-XMMPIXPASA-N 0 1 523.549 3.962 50 0 KHAAMN CCOC(=O)C1C(COC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)=NC(=O)N[C@H]1c1ccccc1 ZINC000013102530 553447832 /nfs/dbraw/zinc/44/78/32/553447832.db2.gz PADMGJZNJBUEKA-DEOSSOPVSA-N 0 1 523.549 3.962 50 0 KHAAMN COc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)cc1S(=O)(=O)NCc1ccc(Cl)cc1 ZINC000013110100 553448158 /nfs/dbraw/zinc/44/81/58/553448158.db2.gz QQLCXNUCKREGLK-LJQANCHMSA-N 0 1 508.065 3.921 50 0 KHAAMN COc1ccc(C(=O)NC[C@@H](c2cccs2)N(C)C)cc1S(=O)(=O)NCc1ccc(Cl)cc1 ZINC000013110101 553448228 /nfs/dbraw/zinc/44/82/28/553448228.db2.gz QQLCXNUCKREGLK-IBGZPJMESA-N 0 1 508.065 3.921 50 0 KHAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 ZINC000013131434 553451400 /nfs/dbraw/zinc/45/14/00/553451400.db2.gz RMUUGPCOHVMVSZ-UHFFFAOYSA-N 0 1 515.613 3.533 50 0 KHAAMN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccc(N4CCN(C)CC4)cc3C)cc2)cc1 ZINC000013134184 553452141 /nfs/dbraw/zinc/45/21/41/553452141.db2.gz HYUUMADZAZWALG-UHFFFAOYSA-N 0 1 522.671 3.898 50 0 KHAAMN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)c2)cc1 ZINC000013134378 553452114 /nfs/dbraw/zinc/45/21/14/553452114.db2.gz NWBZKGRVHQPPKJ-UHFFFAOYSA-N 0 1 508.644 3.833 50 0 KHAAMN COc1cccc(CC(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)Nc3ccccc3OC)c2)c1 ZINC000013137274 553453188 /nfs/dbraw/zinc/45/31/88/553453188.db2.gz MMZDQBADMMKAIW-UHFFFAOYSA-N 0 1 511.600 3.522 50 0 KHAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CNC(=O)c2cccs2)ccc1N1CCCC1 ZINC000013137995 553453457 /nfs/dbraw/zinc/45/34/57/553453457.db2.gz FARVBWUTNXDXLB-UHFFFAOYSA-N 0 1 514.629 3.526 50 0 KHAAMN COc1ccc(NS(=O)(=O)c2ccc([N-][NH+]=Cc3ccc(N4CCOCC4)cc3)c([N+](=O)[O-])c2)cc1 ZINC000013139704 1066210327 /nfs/dbraw/zinc/21/03/27/1066210327.db2.gz ROIMASVNCNBDNT-UHFFFAOYSA-N 0 1 511.560 3.687 50 0 KHAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(OC)c(OC)c2OC)c1 ZINC000013145918 553454843 /nfs/dbraw/zinc/45/48/43/553454843.db2.gz BFGGATBYXNDFQN-UHFFFAOYSA-N 0 1 500.573 3.794 50 0 KHAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(OC)c(OC)c2)ccc1N1CCOCC1 ZINC000013146304 553455134 /nfs/dbraw/zinc/45/51/34/553455134.db2.gz AFLUVDJBFKSIQV-UHFFFAOYSA-N 0 1 527.599 3.602 50 0 KHAAMN O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1Br)NCc1ccccc1Cl ZINC000013523769 553468657 /nfs/dbraw/zinc/46/86/57/553468657.db2.gz KJBZHCPNYHORAU-UHFFFAOYSA-N 0 1 504.797 3.933 50 0 KHAAMN COc1ccc(CCNC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccc(C)c(Cl)c2)cc1OC ZINC000013523820 553468645 /nfs/dbraw/zinc/46/86/45/553468645.db2.gz GDFQLWYNNTZQCK-UHFFFAOYSA-N 0 1 514.007 3.539 50 0 KHAAMN O=C(NCc1n[nH]c(=S)n1-c1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000013544018 553469715 /nfs/dbraw/zinc/46/97/15/553469715.db2.gz OLIXZBOJPXTPBI-UHFFFAOYSA-N 0 1 511.551 3.663 50 0 KHAAMN COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CCSC)N[C@]23C(=O)Nc2ccc(Br)cc23)c1 ZINC000013591645 553477047 /nfs/dbraw/zinc/47/70/47/553477047.db2.gz LRVYJXSZRDWEEE-KNUWZQJKSA-N 0 1 520.449 3.984 50 0 KHAAMN COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccc(C)cc32)c1 ZINC000013591820 553477029 /nfs/dbraw/zinc/47/70/29/553477029.db2.gz OFGAUJZCTPUCFP-CPBHOCDRSA-N 0 1 506.562 3.653 50 0 KHAAMN COc1cc(CNCc2cc3ccc(SC)cc3nc2N2CCN(C(C)=O)CC2)cc(OC)c1OC ZINC000014955996 1066856667 /nfs/dbraw/zinc/85/66/67/1066856667.db2.gz VCQQDZJTEOHELJ-UHFFFAOYSA-N 0 1 510.660 3.941 50 0 KHAAMN CCOC(=O)CN1c2ccccc2[C@@]2(N[C@H](CC(C)C)[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]32)C1=O ZINC000015319402 553531744 /nfs/dbraw/zinc/53/17/44/553531744.db2.gz JMXMFWMSRKNQRT-VYBXLEJVSA-N 0 1 525.605 3.769 50 0 KHAAMN COc1cccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)Nc3ccccc3OC)c2)c1 ZINC000015913580 553542118 /nfs/dbraw/zinc/54/21/18/553542118.db2.gz UCOMMJBNRMNQQC-JLHYYAGUSA-N 0 1 523.611 3.993 50 0 KHAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)ccc2OC)cc1 ZINC000015914022 553542177 /nfs/dbraw/zinc/54/21/77/553542177.db2.gz UYTDUPDQNRGQIY-UHFFFAOYSA-N 0 1 508.556 3.626 50 0 KHAAMN O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)N2CCN(Cc3ccc(F)cc3Cl)CC2)cc1 ZINC000015919303 553542224 /nfs/dbraw/zinc/54/22/24/553542224.db2.gz CUVSMLCDYZKCME-UHFFFAOYSA-N 0 1 521.043 3.585 50 0 KHAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccccc2)N[C@]32C(=O)Nc3c2ccc(Cl)c3C)cc1 ZINC000015958857 553546568 /nfs/dbraw/zinc/54/65/68/553546568.db2.gz UUIUYODJCQVIOQ-KYALDGGBSA-N 0 1 501.970 3.825 50 0 biogenic KHAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000015959409 553546723 /nfs/dbraw/zinc/54/67/23/553546723.db2.gz DCNZOUZVSZWKDG-BYBRNZAOSA-N 0 1 518.573 3.847 50 0 biogenic KHAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000015959411 553546783 /nfs/dbraw/zinc/54/67/83/553546783.db2.gz DCNZOUZVSZWKDG-ALBQUZEBSA-N 0 1 518.573 3.847 50 0 biogenic KHAAMN Cc1c2c(ccc1Cl)[C@]1(N[C@@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959555 553546702 /nfs/dbraw/zinc/54/67/02/553546702.db2.gz UTUGTZSBUFKCBH-HNFJUSDZSA-N 0 1 515.997 3.560 50 0 biogenic KHAAMN Cc1c2c(ccc1Cl)[C@@]1(N[C@@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959556 553546688 /nfs/dbraw/zinc/54/66/88/553546688.db2.gz UTUGTZSBUFKCBH-MVPDCNEZSA-N 0 1 515.997 3.560 50 0 biogenic KHAAMN Cc1c2c(ccc1Cl)[C@]1(N[C@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959557 553546733 /nfs/dbraw/zinc/54/67/33/553546733.db2.gz UTUGTZSBUFKCBH-IDCDSMMUSA-N 0 1 515.997 3.560 50 0 biogenic KHAAMN Cc1c2c(ccc1Cl)[C@@]1(N[C@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959558 553546697 /nfs/dbraw/zinc/54/66/97/553546697.db2.gz UTUGTZSBUFKCBH-CHCBTGSZSA-N 0 1 515.997 3.560 50 0 biogenic KHAAMN Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21N[C@@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015959787 553546886 /nfs/dbraw/zinc/54/68/86/553546886.db2.gz RBSVJJVZWFLJPK-HNFJUSDZSA-N 0 1 515.997 3.560 50 0 biogenic KHAAMN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21N[C@@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015959788 553546911 /nfs/dbraw/zinc/54/69/11/553546911.db2.gz RBSVJJVZWFLJPK-MVPDCNEZSA-N 0 1 515.997 3.560 50 0 biogenic KHAAMN Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21N[C@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015959789 553546873 /nfs/dbraw/zinc/54/68/73/553546873.db2.gz RBSVJJVZWFLJPK-IDCDSMMUSA-N 0 1 515.997 3.560 50 0 biogenic KHAAMN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21N[C@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015959790 553546914 /nfs/dbraw/zinc/54/69/14/553546914.db2.gz RBSVJJVZWFLJPK-CHCBTGSZSA-N 0 1 515.997 3.560 50 0 biogenic KHAAMN O=C1Nc2ccc(Cl)cc2[C@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000015959834 553546897 /nfs/dbraw/zinc/54/68/97/553546897.db2.gz BMRYSESXNCXYHH-APSVEGKFSA-N 0 1 510.981 3.985 50 0 biogenic KHAAMN O=C1Nc2ccc(Cl)cc2[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000015959836 553546932 /nfs/dbraw/zinc/54/69/32/553546932.db2.gz BMRYSESXNCXYHH-JLMYGFKKSA-N 0 1 510.981 3.985 50 0 biogenic KHAAMN O=C1Nc2ccc(Cl)cc2[C@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000015959837 553546871 /nfs/dbraw/zinc/54/68/71/553546871.db2.gz BMRYSESXNCXYHH-GBXYDCMPSA-N 0 1 510.981 3.985 50 0 biogenic KHAAMN O=C1Nc2ccc(Cl)cc2[C@@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000015959838 553546949 /nfs/dbraw/zinc/54/69/49/553546949.db2.gz BMRYSESXNCXYHH-ANARSLNQSA-N 0 1 510.981 3.985 50 0 biogenic KHAAMN Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969144 553547289 /nfs/dbraw/zinc/54/72/89/553547289.db2.gz IFSPPVVNRZZSCT-HNFJUSDZSA-N 0 1 515.997 3.560 50 0 biogenic KHAAMN Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969146 553547332 /nfs/dbraw/zinc/54/73/32/553547332.db2.gz IFSPPVVNRZZSCT-MVPDCNEZSA-N 0 1 515.997 3.560 50 0 biogenic KHAAMN Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969148 553547273 /nfs/dbraw/zinc/54/72/73/553547273.db2.gz IFSPPVVNRZZSCT-IDCDSMMUSA-N 0 1 515.997 3.560 50 0 biogenic KHAAMN Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969150 553547381 /nfs/dbraw/zinc/54/73/81/553547381.db2.gz IFSPPVVNRZZSCT-CHCBTGSZSA-N 0 1 515.997 3.560 50 0 biogenic KHAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000015969415 553547420 /nfs/dbraw/zinc/54/74/20/553547420.db2.gz IRFOMQVEONEZJC-YTEUAAESSA-N 0 1 506.562 3.653 50 0 biogenic KHAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000015969417 553547365 /nfs/dbraw/zinc/54/73/65/553547365.db2.gz IRFOMQVEONEZJC-TUAOVVRQSA-N 0 1 506.562 3.653 50 0 biogenic KHAAMN O=C1Nc2c(cccc2Cl)[C@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000015969693 553547595 /nfs/dbraw/zinc/54/75/95/553547595.db2.gz JWTWGSQETICJPA-HNFJUSDZSA-N 0 1 510.981 3.985 50 0 biogenic KHAAMN O=C1Nc2c(cccc2Cl)[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000015969695 553547614 /nfs/dbraw/zinc/54/76/14/553547614.db2.gz JWTWGSQETICJPA-MVPDCNEZSA-N 0 1 510.981 3.985 50 0 biogenic KHAAMN O=C1Nc2c(cccc2Cl)[C@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000015969697 553547535 /nfs/dbraw/zinc/54/75/35/553547535.db2.gz JWTWGSQETICJPA-IDCDSMMUSA-N 0 1 510.981 3.985 50 0 biogenic KHAAMN O=C1Nc2c(cccc2Cl)[C@@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000015969699 553547549 /nfs/dbraw/zinc/54/75/49/553547549.db2.gz JWTWGSQETICJPA-CHCBTGSZSA-N 0 1 510.981 3.985 50 0 biogenic KHAAMN COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(C)cc32)c1 ZINC000015971955 553547516 /nfs/dbraw/zinc/54/75/16/553547516.db2.gz OFGAUJZCTPUCFP-YTEUAAESSA-N 0 1 506.562 3.653 50 0 KHAAMN COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(C)cc32)c1 ZINC000015971957 553547523 /nfs/dbraw/zinc/54/75/23/553547523.db2.gz OFGAUJZCTPUCFP-TUAOVVRQSA-N 0 1 506.562 3.653 50 0 KHAAMN COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cccc3C)c1 ZINC000015972235 553547604 /nfs/dbraw/zinc/54/76/04/553547604.db2.gz ZBBALFQLJJDNOW-ZRIOWSNCSA-N 0 1 506.562 3.653 50 0 KHAAMN COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cccc3C)c1 ZINC000015972237 553547531 /nfs/dbraw/zinc/54/75/31/553547531.db2.gz ZBBALFQLJJDNOW-SODQHWRNSA-N 0 1 506.562 3.653 50 0 KHAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccccc32)cc1 ZINC000015972580 553547622 /nfs/dbraw/zinc/54/76/22/553547622.db2.gz NCWMIZJSSSWXSP-YTEUAAESSA-N 0 1 504.546 3.538 50 0 KHAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccccc32)cc1 ZINC000015972582 553547584 /nfs/dbraw/zinc/54/75/84/553547584.db2.gz NCWMIZJSSSWXSP-TUAOVVRQSA-N 0 1 504.546 3.538 50 0 KHAAMN O=S(=O)(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccc2ccccc2c1 ZINC000015978142 553548005 /nfs/dbraw/zinc/54/80/05/553548005.db2.gz OGNPXANAIIIDBS-UHFFFAOYSA-N 0 1 515.657 3.652 50 0 KHAAMN C[C@@H]1CN(C(=O)COC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)c(Cl)cc2Cl)C[C@@H](C)O1 ZINC000015981656 553548883 /nfs/dbraw/zinc/54/88/83/553548883.db2.gz RBBKNCAXKAEJBW-CHWSQXEVSA-N 0 1 519.378 3.726 50 0 KHAAMN C[C@@H]1CN(C(=O)COC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)c(Cl)cc2Cl)C[C@H](C)O1 ZINC000015981660 553548894 /nfs/dbraw/zinc/54/88/94/553548894.db2.gz RBBKNCAXKAEJBW-BETUJISGSA-N 0 1 519.378 3.726 50 0 KHAAMN C[C@H]1CN(C(=O)COC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)c(Cl)cc2Cl)C[C@H](C)O1 ZINC000015981663 553548878 /nfs/dbraw/zinc/54/88/78/553548878.db2.gz RBBKNCAXKAEJBW-STQMWFEESA-N 0 1 519.378 3.726 50 0 KHAAMN O=C1Nc2ccc(F)cc2[C@@]12N[C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]12 ZINC000016010084 553550484 /nfs/dbraw/zinc/55/04/84/553550484.db2.gz HOTNDFCDXYFCRR-TUAOVVRQSA-N 0 1 507.521 3.852 50 0 KHAAMN O=C1Nc2ccc(F)cc2[C@@]12N[C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]12 ZINC000016010085 553550489 /nfs/dbraw/zinc/55/04/89/553550489.db2.gz HOTNDFCDXYFCRR-YTEUAAESSA-N 0 1 507.521 3.852 50 0 KHAAMN O=C1Nc2ccc(F)cc2[C@]12N[C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]12 ZINC000016010086 553550457 /nfs/dbraw/zinc/55/04/57/553550457.db2.gz HOTNDFCDXYFCRR-YRIIQKNPSA-N 0 1 507.521 3.852 50 0 KHAAMN O=C1Nc2ccc(F)cc2[C@]12N[C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]12 ZINC000016010087 553550468 /nfs/dbraw/zinc/55/04/68/553550468.db2.gz HOTNDFCDXYFCRR-CPBHOCDRSA-N 0 1 507.521 3.852 50 0 KHAAMN Cc1c2c(ccc1Cl)[C@@]1(N[C@@H](Cc3ccccc3)[C@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000016010317 553550624 /nfs/dbraw/zinc/55/06/24/553550624.db2.gz XZTBIWMMJZCLSO-NLPMMIMISA-N 0 1 515.953 3.545 50 0 KHAAMN O=C1Nc2ccccc2[C@@]12N[C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000016012788 553550955 /nfs/dbraw/zinc/55/09/55/553550955.db2.gz IRUSOTFJGQTYJZ-MSZDEVHKSA-N 0 1 507.468 3.579 50 0 KHAAMN O=C1Nc2ccccc2[C@]12N[C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000016012792 553550968 /nfs/dbraw/zinc/55/09/68/553550968.db2.gz IRUSOTFJGQTYJZ-AVJFOWIRSA-N 0 1 507.468 3.579 50 0 KHAAMN CCOC(=O)C1C(CSc2nnc(-c3cccc(C)c3)n2CCOC)=NC(=O)N[C@@H]1c1ccccc1 ZINC000016044388 553553964 /nfs/dbraw/zinc/55/39/64/553553964.db2.gz SYYAOJUUPUOVHX-JOCHJYFZSA-N 0 1 507.616 3.863 50 0 KHAAMN CCOC(=O)C1C(CSc2nnc(-c3cccc(C)c3)n2CCOC)=NC(=O)N[C@H]1c1ccccc1 ZINC000016044389 553553921 /nfs/dbraw/zinc/55/39/21/553553921.db2.gz SYYAOJUUPUOVHX-QFIPXVFZSA-N 0 1 507.616 3.863 50 0 KHAAMN COc1ccc(S(=O)(=O)N(Cc2ccc(S(C)(=O)=O)cc2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000016080239 553555368 /nfs/dbraw/zinc/55/53/68/553555368.db2.gz UXHHABQESIZGKQ-UHFFFAOYSA-N 0 1 528.696 3.954 50 0 KHAAMN COc1ccc(C[C@@]2(CCc3ccccn3)C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(OC)c1OC ZINC000016293259 553559269 /nfs/dbraw/zinc/55/92/69/553559269.db2.gz QAPKFMPSMIQBCP-NDEPHWFRSA-N 0 1 503.555 3.861 50 0 KHAAMN COc1ccc(C[C@]2(CCc3ccccn3)C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(OC)c1OC ZINC000016293262 553559239 /nfs/dbraw/zinc/55/92/39/553559239.db2.gz QAPKFMPSMIQBCP-MUUNZHRXSA-N 0 1 503.555 3.861 50 0 KHAAMN COc1cc(C[C@@]2(CCc3ccccn3)C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(OC)c1OC ZINC000016293360 553559392 /nfs/dbraw/zinc/55/93/92/553559392.db2.gz HNHMGAGWQHPYDP-MHZLTWQESA-N 0 1 507.518 3.691 50 0 KHAAMN COc1cc(C[C@]2(CCc3ccccn3)C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(OC)c1OC ZINC000016293363 553559444 /nfs/dbraw/zinc/55/94/44/553559444.db2.gz HNHMGAGWQHPYDP-HHHXNRCGSA-N 0 1 507.518 3.691 50 0 KHAAMN COc1cc(C[C@@]2(CCc3ccccn3)C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(OC)c1OC ZINC000016293614 553559403 /nfs/dbraw/zinc/55/94/03/553559403.db2.gz COPQEPDMDAYYPS-NDEPHWFRSA-N 0 1 503.555 3.861 50 0 KHAAMN COc1cc(C[C@]2(CCc3ccccn3)C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(OC)c1OC ZINC000016293616 553559440 /nfs/dbraw/zinc/55/94/40/553559440.db2.gz COPQEPDMDAYYPS-MUUNZHRXSA-N 0 1 503.555 3.861 50 0 KHAAMN COc1cc(C[C@@]2(CCc3ccncc3)C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(OC)c1OC ZINC000016293661 553559448 /nfs/dbraw/zinc/55/94/48/553559448.db2.gz BPHBVORMMUZMAZ-MHZLTWQESA-N 0 1 507.518 3.691 50 0 KHAAMN COc1cc(C[C@]2(CCc3ccncc3)C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(OC)c1OC ZINC000016293663 553559421 /nfs/dbraw/zinc/55/94/21/553559421.db2.gz BPHBVORMMUZMAZ-HHHXNRCGSA-N 0 1 507.518 3.691 50 0 KHAAMN CCOC(=O)COc1ccc(Br)cc1[C@@H]1NC(=O)N=C(c2ccccc2)C1C(=O)OCC ZINC000016382537 553561550 /nfs/dbraw/zinc/56/15/50/553561550.db2.gz VAARQPUTPNSGPZ-NRFANRHFSA-N 0 1 503.349 3.719 50 0 KHAAMN CCOC(=O)COc1ccc(Br)cc1[C@H]1NC(=O)N=C(c2ccccc2)C1C(=O)OCC ZINC000016382540 553561541 /nfs/dbraw/zinc/56/15/41/553561541.db2.gz VAARQPUTPNSGPZ-OAQYLSRUSA-N 0 1 503.349 3.719 50 0 KHAAMN Cc1cc2nc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N(C)C[C@@H]4CCCO4)cc3)sc2c(C)c1 ZINC000017010389 553586306 /nfs/dbraw/zinc/58/63/06/553586306.db2.gz KYPTZYHOAVSGJU-NRFANRHFSA-N 0 1 530.716 3.921 50 0 KHAAMN Cc1cc2nc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N(C)C[C@H]4CCCO4)cc3)sc2c(C)c1 ZINC000017010393 553586275 /nfs/dbraw/zinc/58/62/75/553586275.db2.gz KYPTZYHOAVSGJU-OAQYLSRUSA-N 0 1 530.716 3.921 50 0 KHAAMN Cc1cc2sc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N(C)C[C@@H]4CCCO4)cc3)nc2c(C)c1 ZINC000017010433 553586320 /nfs/dbraw/zinc/58/63/20/553586320.db2.gz RWKOOUWIBJFVBS-NRFANRHFSA-N 0 1 530.716 3.921 50 0 KHAAMN Cc1cc2sc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N(C)C[C@H]4CCCO4)cc3)nc2c(C)c1 ZINC000017010437 553586250 /nfs/dbraw/zinc/58/62/50/553586250.db2.gz RWKOOUWIBJFVBS-OAQYLSRUSA-N 0 1 530.716 3.921 50 0 KHAAMN CC[N@H+]1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)[N-]C(=O)N(CCc4ccc(OC)c(OC)c4)C3=O)[C@@H]2C1 ZINC000017014406 553586527 /nfs/dbraw/zinc/58/65/27/553586527.db2.gz KIPYSZPQMVMUOI-HOFKKMOUSA-N 0 1 527.021 3.572 50 0 KHAAMN CC[N@@H+]1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)[N-]C(=O)N(CCc4ccc(OC)c(OC)c4)C3=O)[C@@H]2C1 ZINC000017014406 553586526 /nfs/dbraw/zinc/58/65/26/553586526.db2.gz KIPYSZPQMVMUOI-HOFKKMOUSA-N 0 1 527.021 3.572 50 0 KHAAMN Cc1ccc2sc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)nc2c1C ZINC000017122301 553588255 /nfs/dbraw/zinc/58/82/55/553588255.db2.gz RWQGRJCYLXIDJP-RTBURBONSA-N 0 1 530.716 3.919 50 0 KHAAMN Cc1ccc2sc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)nc2c1C ZINC000017122309 553588262 /nfs/dbraw/zinc/58/82/62/553588262.db2.gz RWQGRJCYLXIDJP-KDURUIRLSA-N 0 1 530.716 3.919 50 0 KHAAMN Cc1ccc2sc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)nc2c1C ZINC000017122314 553588152 /nfs/dbraw/zinc/58/81/52/553588152.db2.gz RWQGRJCYLXIDJP-OALUTQOASA-N 0 1 530.716 3.919 50 0 KHAAMN COc1ccc2sc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)nc2c1 ZINC000017245418 553591502 /nfs/dbraw/zinc/59/15/02/553591502.db2.gz LBJACZNQQSKRGM-GOSISDBHSA-N 0 1 516.689 3.934 50 0 KHAAMN COc1ccc2sc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)nc2c1 ZINC000017245424 553591544 /nfs/dbraw/zinc/59/15/44/553591544.db2.gz LBJACZNQQSKRGM-SFHVURJKSA-N 0 1 516.689 3.934 50 0 KHAAMN COc1ccc2sc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)nc2c1 ZINC000017246039 553591508 /nfs/dbraw/zinc/59/15/08/553591508.db2.gz TZZOQFLQPHLFME-UHFFFAOYSA-N 0 1 516.689 3.934 50 0 KHAAMN COc1ccc2nc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)sc2c1 ZINC000017246043 553591476 /nfs/dbraw/zinc/59/14/76/553591476.db2.gz PNBJLSIWCJMJIJ-UHFFFAOYSA-N 0 1 516.689 3.934 50 0 KHAAMN CCOc1ccc(OCC)c(S(=O)(=O)Nc2ccc(Nc3nc(C)cc(N4CCOCC4)n3)cc2)c1 ZINC000017307270 553593094 /nfs/dbraw/zinc/59/30/94/553593094.db2.gz BXUUHFKXJWYBLO-UHFFFAOYSA-N 0 1 513.620 3.963 50 0 KHAAMN O=c1cc(CSc2nc3n[nH]cc3c(=O)n2-c2ccc(Br)cc2)nc2ccc(Br)cn12 ZINC000017356969 553594224 /nfs/dbraw/zinc/59/42/24/553594224.db2.gz FGLSAKBCOQDFNA-UHFFFAOYSA-N 0 1 560.231 3.934 50 0 KHAAMN COc1ccc(CCNC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccc(Cl)cc2Cl)cc1OC ZINC000017357193 553594582 /nfs/dbraw/zinc/59/45/82/553594582.db2.gz ORZTWHJMDXQUBO-UHFFFAOYSA-N 0 1 534.425 3.884 50 0 KHAAMN COc1ccc(CCNC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2cccc(C(F)(F)F)c2)cc1OC ZINC000017357198 553594616 /nfs/dbraw/zinc/59/46/16/553594616.db2.gz OWJKUFIJSXFEEG-UHFFFAOYSA-N 0 1 533.532 3.596 50 0 KHAAMN CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(N2CCOCC2)c([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000017357214 553594542 /nfs/dbraw/zinc/59/45/42/553594542.db2.gz BHMQCSCEUKQQLB-HSZRJFAPSA-N 0 1 544.718 3.717 50 0 KHAAMN CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(N2CCOCC2)c([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000017357214 553594539 /nfs/dbraw/zinc/59/45/39/553594539.db2.gz BHMQCSCEUKQQLB-HSZRJFAPSA-N 0 1 544.718 3.717 50 0 KHAAMN CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(N2CCOCC2)c([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000017357216 553594517 /nfs/dbraw/zinc/59/45/17/553594517.db2.gz BHMQCSCEUKQQLB-QHCPKHFHSA-N 0 1 544.718 3.717 50 0 KHAAMN CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(N2CCOCC2)c([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000017357216 553594516 /nfs/dbraw/zinc/59/45/16/553594516.db2.gz BHMQCSCEUKQQLB-QHCPKHFHSA-N 0 1 544.718 3.717 50 0 KHAAMN CCc1ccccc1-n1c(=O)c2cn[nH]c2nc1SCc1cc(=O)n2cc(Br)ccc2n1 ZINC000018097881 553604145 /nfs/dbraw/zinc/60/41/45/553604145.db2.gz KQBVTTJCGLHXCE-UHFFFAOYSA-N 0 1 509.389 3.734 50 0 KHAAMN CCc1ccc(-n2c(=O)c3cn[nH]c3nc2SCc2cc(=O)n3cc(Br)ccc3n2)cc1 ZINC000018169057 553606801 /nfs/dbraw/zinc/60/68/01/553606801.db2.gz CIXSPBPWIQUTND-UHFFFAOYSA-N 0 1 509.389 3.734 50 0 KHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(N3C(=S)N=NC3c3cc(-c4cccs4)n[nH]3)cc2)n1 ZINC000018191315 553608184 /nfs/dbraw/zinc/60/81/84/553608184.db2.gz IKWRSNIOFBGNRI-UHFFFAOYSA-N 0 1 510.630 3.882 50 0 KHAAMN CCN(CC)S(=O)(=O)c1ccc2c(c1)n(CN1CCN(CC)CC1)c(=S)n2-c1ccccc1OC ZINC000019372044 553614636 /nfs/dbraw/zinc/61/46/36/553614636.db2.gz XNOGVSNHQJRHIJ-UHFFFAOYSA-N 0 1 517.721 3.796 50 0 KHAAMN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)CN1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000019790686 553616281 /nfs/dbraw/zinc/61/62/81/553616281.db2.gz NSODTIBRLQHEEU-YNNKJJCMSA-N 0 1 521.702 3.892 50 0 KHAAMN C[C@@H]1C[C@@H](OC[C@@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)CC(C)(C)C1 ZINC000019794892 553616793 /nfs/dbraw/zinc/61/67/93/553616793.db2.gz YKMYRAXRCXQAPE-YFNKSVMNSA-N 0 1 507.675 3.646 50 0 KHAAMN C[C@@H]1C[C@H](OC[C@@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)CC(C)(C)C1 ZINC000019794894 553616781 /nfs/dbraw/zinc/61/67/81/553616781.db2.gz YKMYRAXRCXQAPE-NHTMILBNSA-N 0 1 507.675 3.646 50 0 KHAAMN COc1ccc(-c2n[nH]c(S[C@H](CC(=O)NCCCN3CCOCC3)c3ccc(OC)cc3)n2)cc1 ZINC000019881402 553629510 /nfs/dbraw/zinc/62/95/10/553629510.db2.gz LCCPXZMUHYUJDK-HSZRJFAPSA-N 0 1 511.648 3.551 50 0 KHAAMN COc1ccc(-c2n[nH]c(S[C@@H](CC(=O)NCCCN3CCOCC3)c3ccc(OC)cc3)n2)cc1 ZINC000019881407 553629476 /nfs/dbraw/zinc/62/94/76/553629476.db2.gz LCCPXZMUHYUJDK-QHCPKHFHSA-N 0 1 511.648 3.551 50 0 KHAAMN Nc1nc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc(Nc2ccc3c(c2)OCCO3)n1 ZINC000019899224 553632528 /nfs/dbraw/zinc/63/25/28/553632528.db2.gz YQDMVQNZOHRSHF-UHFFFAOYSA-N 0 1 509.614 3.876 50 0 KHAAMN O=C(CSc1nc2ccc(Oc3ccc4[nH]c(SCC(=O)NC5CC5)nc4c3)cc2[nH]1)NC1CC1 ZINC000020102693 553687634 /nfs/dbraw/zinc/68/76/34/553687634.db2.gz PPHMVFHNZRCBKM-UHFFFAOYSA-N 0 1 508.629 3.973 50 0 KHAAMN CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1cccc(Br)c1)c2=O ZINC000020102940 553687676 /nfs/dbraw/zinc/68/76/76/553687676.db2.gz BSGDWXRINLXVLM-GOSISDBHSA-N 0 1 501.450 3.710 50 0 KHAAMN CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1cccc(Br)c1)c2=O ZINC000020102943 553687618 /nfs/dbraw/zinc/68/76/18/553687618.db2.gz BSGDWXRINLXVLM-SFHVURJKSA-N 0 1 501.450 3.710 50 0 KHAAMN O=c1c2cc(NC(=S)NCCCN3CCN(c4ccc(F)cc4)CC3)ccc2nc2n1CCCCC2 ZINC000020105245 553689451 /nfs/dbraw/zinc/68/94/51/553689451.db2.gz NJNKNTRCYSEJHW-UHFFFAOYSA-N 0 1 508.667 3.761 50 0 KHAAMN COc1ccc(C[C@@]2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1 ZINC000020112022 553694245 /nfs/dbraw/zinc/69/42/45/553694245.db2.gz CJAGOLUMLQZUOM-IABYTQIASA-N 0 1 532.641 3.757 50 0 biogenic KHAAMN COc1ccc(C[C@@]2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1 ZINC000020112022 553694244 /nfs/dbraw/zinc/69/42/44/553694244.db2.gz CJAGOLUMLQZUOM-IABYTQIASA-N 0 1 532.641 3.757 50 0 biogenic KHAAMN COc1ccc(C[C@]2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1 ZINC000020112025 553694299 /nfs/dbraw/zinc/69/42/99/553694299.db2.gz CJAGOLUMLQZUOM-ZQLNOWDWSA-N 0 1 532.641 3.757 50 0 biogenic KHAAMN COc1ccc(C[C@]2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1 ZINC000020112025 553694298 /nfs/dbraw/zinc/69/42/98/553694298.db2.gz CJAGOLUMLQZUOM-ZQLNOWDWSA-N 0 1 532.641 3.757 50 0 biogenic KHAAMN O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](C[C@@]2(Cc3cccs3)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)C1 ZINC000020112599 553694569 /nfs/dbraw/zinc/69/45/69/553694569.db2.gz IXSOGNQHHMUEMT-RYTUXRKISA-N 0 1 502.596 3.681 50 0 biogenic KHAAMN O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](C[C@]2(Cc3cccs3)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)C1 ZINC000020112601 553694559 /nfs/dbraw/zinc/69/45/59/553694559.db2.gz IXSOGNQHHMUEMT-VXLXPWSCSA-N 0 1 502.596 3.681 50 0 biogenic KHAAMN Cc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CCN(C)CC3)C2=S)cc1 ZINC000020115140 553696668 /nfs/dbraw/zinc/69/66/68/553696668.db2.gz PMGLATGQPYFEGZ-QHCPKHFHSA-N 0 1 514.095 3.617 50 0 KHAAMN Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CCN(C)CC3)C2=S)cc1 ZINC000020115142 553696563 /nfs/dbraw/zinc/69/65/63/553696563.db2.gz PMGLATGQPYFEGZ-HSZRJFAPSA-N 0 1 514.095 3.617 50 0 KHAAMN CN1CCN(CCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000020115194 553696858 /nfs/dbraw/zinc/69/68/58/553696858.db2.gz TVWPEWUUMJDDND-NRFANRHFSA-N 0 1 520.486 3.572 50 0 KHAAMN 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CCN(CC)C(=O)CN1c2ccccc2[C@@]2(N[C@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000029748783 553850097 /nfs/dbraw/zinc/85/00/97/553850097.db2.gz NARPJTZOCATBAH-HYSDEYDMSA-N 0 1 589.696 3.594 50 0 KHAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NC[C@H](c2cccs2)N2CCOCC2)c1 ZINC000032721168 553873441 /nfs/dbraw/zinc/87/34/41/553873441.db2.gz ITGNONFBDGJARD-JOCHJYFZSA-N 0 1 515.657 3.669 50 0 KHAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000032721169 553873879 /nfs/dbraw/zinc/87/38/79/553873879.db2.gz ITGNONFBDGJARD-QFIPXVFZSA-N 0 1 515.657 3.669 50 0 KHAAMN CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 ZINC000032721182 553873836 /nfs/dbraw/zinc/87/38/36/553873836.db2.gz INSNPKVHTCLVBG-UHFFFAOYSA-N 0 1 501.630 3.644 50 0 KHAAMN CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 ZINC000032721203 553873826 /nfs/dbraw/zinc/87/38/26/553873826.db2.gz PFBTUCYVSXGCNN-UHFFFAOYSA-N 0 1 511.600 3.996 50 0 KHAAMN COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)c([O-])c2)c1 ZINC000032914529 553876165 /nfs/dbraw/zinc/87/61/65/553876165.db2.gz YPBVOFICERJLLD-UHFFFAOYSA-N 0 1 518.614 3.604 50 0 KHAAMN COc1ccccc1[C@@H](CNC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O)N1CCCC1 ZINC000032983089 553884799 /nfs/dbraw/zinc/88/47/99/553884799.db2.gz FITUZFBYVRHFCA-GIGWZHCTSA-N 0 1 500.599 3.569 50 0 KHAAMN COc1ccccc1[C@H](CNC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O)N1CCCC1 ZINC000032983090 553884718 /nfs/dbraw/zinc/88/47/18/553884718.db2.gz FITUZFBYVRHFCA-OUTSHDOLSA-N 0 1 500.599 3.569 50 0 KHAAMN COc1ccccc1[C@@H](CNC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)N1CCCC1 ZINC000032983091 553884708 /nfs/dbraw/zinc/88/47/08/553884708.db2.gz FITUZFBYVRHFCA-FUFSCUOVSA-N 0 1 500.599 3.569 50 0 KHAAMN COc1ccccc1[C@H](CNC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)N1CCCC1 ZINC000032983092 553884776 /nfs/dbraw/zinc/88/47/76/553884776.db2.gz FITUZFBYVRHFCA-PWUYWRBVSA-N 0 1 500.599 3.569 50 0 KHAAMN CCC[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NS(=O)(=O)c4cc(Cl)ccc4OC)ccc3n2)CC1 ZINC000032985229 553885868 /nfs/dbraw/zinc/88/58/68/553885868.db2.gz BOCFTSMVQCRUHZ-UHFFFAOYSA-N 0 1 519.023 3.928 50 0 KHAAMN CC[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NS(=O)(=O)c4cc(Cl)ccc4OC)ccc3n2)CC1 ZINC000032985230 553886003 /nfs/dbraw/zinc/88/60/03/553886003.db2.gz KLXIZYQASRZYTG-UHFFFAOYSA-N 0 1 504.996 3.538 50 0 KHAAMN CCCCC1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCN(CC)CC2)CC1 ZINC000033000532 553888051 /nfs/dbraw/zinc/88/80/51/553888051.db2.gz VDRJQTRNJAOOKC-UHFFFAOYSA-N 0 1 520.740 3.785 50 0 KHAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)C2CCC(C(C)(C)C)CC2)CC1 ZINC000033000554 553888007 /nfs/dbraw/zinc/88/80/07/553888007.db2.gz LBOHMCGDJYBNSK-UHFFFAOYSA-N 0 1 520.740 3.640 50 0 KHAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3O)CC2)c1 ZINC000033028045 553891466 /nfs/dbraw/zinc/89/14/66/553891466.db2.gz JZLXFIDYCYSLSO-UHFFFAOYSA-N 0 1 501.992 3.817 50 0 KHAAMN CCCN1CCN(C(=O)c2ccc(NC(=O)c3nnc(COc4ccc(OC)c(OC)c4)s3)cc2)CC1 ZINC000033032014 553891732 /nfs/dbraw/zinc/89/17/32/553891732.db2.gz CHZQTIMKKGKGND-UHFFFAOYSA-N 0 1 525.631 3.554 50 0 KHAAMN COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(CC(C)C)CC(C)C)ccc2N2CC[NH2+]CC2)cc1 ZINC000033032989 553891765 /nfs/dbraw/zinc/89/17/65/553891765.db2.gz TWPAPMCVYVUKHD-UHFFFAOYSA-N 0 1 502.681 3.660 50 0 KHAAMN CCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)NCc4nc5ccc(C)cc5[nH]4)CC3)c2)no1 ZINC000033252348 553914137 /nfs/dbraw/zinc/91/41/37/553914137.db2.gz OXNLGGPEXUDCRQ-UHFFFAOYSA-N 0 1 522.631 3.509 50 0 KHAAMN CCNc1cc(C)nc(N2CCN(C(=O)c3cc4cc(Br)cc(Br)c4oc3=O)CC2)n1 ZINC000033355882 553937850 /nfs/dbraw/zinc/93/78/50/553937850.db2.gz SHISMGLZXVAFND-UHFFFAOYSA-N 0 1 551.239 3.811 50 0 KHAAMN CCOC(=O)c1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]2)cc1 ZINC000033356656 553943331 /nfs/dbraw/zinc/94/33/31/553943331.db2.gz OADCNVDWULIIKA-UHFFFAOYSA-N 0 1 529.640 3.808 50 0 KHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccn(OCc4cccc(Cl)c4)c3=O)cc2)n1 ZINC000033356670 553943440 /nfs/dbraw/zinc/94/34/40/553943440.db2.gz WWTCRQZTDPNEJN-UHFFFAOYSA-N 0 1 540.001 3.590 50 0 KHAAMN COc1cc2c(cc1OC)[C@@H](C(=O)NCCN1CCN(Cc3ccccc3)CC1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000033356820 553944812 /nfs/dbraw/zinc/94/48/12/553944812.db2.gz GYVODFMMLQANIN-LOYHVIPDSA-N 0 1 560.670 3.687 50 0 KHAAMN COc1cc2c(cc1OC)[C@H](C(=O)NCCN1CCN(Cc3ccccc3)CC1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000033356821 553944805 /nfs/dbraw/zinc/94/48/05/553944805.db2.gz GYVODFMMLQANIN-XZWHSSHBSA-N 0 1 560.670 3.687 50 0 KHAAMN COc1cc2c(cc1OC)[C@@H](C(=O)NCCN1CCN(Cc3ccccc3)CC1)[C@H](c1ccccc1F)N(C)C2=O ZINC000033356823 553944814 /nfs/dbraw/zinc/94/48/14/553944814.db2.gz GYVODFMMLQANIN-IHLOFXLRSA-N 0 1 560.670 3.687 50 0 KHAAMN COc1cc2c(cc1OC)[C@H](C(=O)NCCN1CCN(Cc3ccccc3)CC1)[C@H](c1ccccc1F)N(C)C2=O ZINC000033356826 553944819 /nfs/dbraw/zinc/94/48/19/553944819.db2.gz GYVODFMMLQANIN-KYJUHHDHSA-N 0 1 560.670 3.687 50 0 KHAAMN COc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccco3)C(=S)N2CCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000033357090 553946336 /nfs/dbraw/zinc/94/63/36/553946336.db2.gz KDRHVDCROINOPI-MHZLTWQESA-N 0 1 579.698 3.966 50 0 KHAAMN COc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccco3)C(=S)N2CCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000033357092 553946367 /nfs/dbraw/zinc/94/63/67/553946367.db2.gz KDRHVDCROINOPI-HHHXNRCGSA-N 0 1 579.698 3.966 50 0 KHAAMN CN1CCN(CCCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000033357130 553946778 /nfs/dbraw/zinc/94/67/78/553946778.db2.gz XNYFZKUBZIRNGJ-QFIPXVFZSA-N 0 1 534.513 3.962 50 0 KHAAMN CN1CCN(CCCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000033357133 553946844 /nfs/dbraw/zinc/94/68/44/553946844.db2.gz XNYFZKUBZIRNGJ-JOCHJYFZSA-N 0 1 534.513 3.962 50 0 KHAAMN CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)CC2)cc1 ZINC000033357375 553947999 /nfs/dbraw/zinc/94/79/99/553947999.db2.gz VLCPHZZUJHZKTP-UHFFFAOYSA-N 0 1 590.190 3.712 50 0 KHAAMN O=C(NCCN1CCN(Cc2ccccc2)CC1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000033357457 553948280 /nfs/dbraw/zinc/94/82/80/553948280.db2.gz NGHNMUDOPPKSSY-UHFFFAOYSA-N 0 1 546.487 3.564 50 0 KHAAMN C[C@@H](CCc1ccccc1)NC(=O)CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[nH]1 ZINC000033357561 553948928 /nfs/dbraw/zinc/94/89/28/553948928.db2.gz ZDSSSLDKQCVOLJ-HNNXBMFYSA-N 0 1 536.473 3.595 50 0 KHAAMN C[C@H](CCc1ccccc1)NC(=O)CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[nH]1 ZINC000033357562 553948937 /nfs/dbraw/zinc/94/89/37/553948937.db2.gz ZDSSSLDKQCVOLJ-OAHLLOKOSA-N 0 1 536.473 3.595 50 0 KHAAMN COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(Br)cc3F)[nH]c2=O)cc1Cl ZINC000033357564 553948894 /nfs/dbraw/zinc/94/88/94/553948894.db2.gz XDQIMIRMLUZMOI-UHFFFAOYSA-N 0 1 562.826 3.897 50 0 KHAAMN O=C1NC(=O)C2(C(=O)N1)[C@H](c1cccc(Br)c1)NC(=S)N[C@H]2c1cccc(Br)c1 ZINC000033357597 553949394 /nfs/dbraw/zinc/94/93/94/553949394.db2.gz QCSIJYTWXHVHSE-KBPBESRZSA-N 0 1 538.221 3.664 50 0 KHAAMN O=C1NC(=O)C2(C(=O)N1)[C@@H](c1cccc(Br)c1)NC(=S)N[C@H]2c1cccc(Br)c1 ZINC000033357598 553949434 /nfs/dbraw/zinc/94/94/34/553949434.db2.gz QCSIJYTWXHVHSE-OKILXGFUSA-N 0 1 538.221 3.664 50 0 KHAAMN O=C1NC(=O)C2(C(=O)N1)[C@@H](c1cccc(Br)c1)NC(=S)N[C@@H]2c1cccc(Br)c1 ZINC000033357600 553949205 /nfs/dbraw/zinc/94/92/05/553949205.db2.gz QCSIJYTWXHVHSE-ZIAGYGMSSA-N 0 1 538.221 3.664 50 0 KHAAMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)N(C)Cc2ccc(Cl)cc2)cc1 ZINC000033502773 553961543 /nfs/dbraw/zinc/96/15/43/553961543.db2.gz NPDHZQOQUAYALS-UHFFFAOYSA-N 0 1 502.976 3.965 50 0 KHAAMN COc1cc(NC(=O)COC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c(C)c2)cc(OC)c1 ZINC000033598394 553963725 /nfs/dbraw/zinc/96/37/25/553963725.db2.gz BBCOICKEIPCAAV-UHFFFAOYSA-N 0 1 502.520 3.748 50 0 KHAAMN CCNC(=O)N(CCN1CCCCC1)CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1 ZINC000033659842 553966488 /nfs/dbraw/zinc/96/64/88/553966488.db2.gz PMLCVBHJPQOKTF-UHFFFAOYSA-N 0 1 514.667 3.694 50 0 KHAAMN COc1cccc(/C=C\C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)Nc3ccccc3OC)c2)c1 ZINC000033699813 1066501056 /nfs/dbraw/zinc/50/10/56/1066501056.db2.gz UCOMMJBNRMNQQC-RAXLEYEMSA-N 0 1 523.611 3.993 50 0 KHAAMN COc1ccc(CN2CCCN(c3ccc(NC(=O)COc4ccccc4)cn3)CC2)c(OC)c1OC ZINC000034681999 553985696 /nfs/dbraw/zinc/98/56/96/553985696.db2.gz KOCCXIYPYFEOIW-UHFFFAOYSA-N 0 1 506.603 3.837 50 0 KHAAMN CCOC(=O)C1CCN(C(=O)c2coc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)CC1 ZINC000034684554 553986675 /nfs/dbraw/zinc/98/66/75/553986675.db2.gz LQZFQCCIACSWOA-UHFFFAOYSA-N 0 1 516.642 3.997 50 0 KHAAMN O=C(NCc1ccccn1)[C@@H](CN(Cc1ccc2c(c1)OCO2)C[C@@H]1CCCO1)Oc1cccc(F)c1 ZINC000034708278 553994585 /nfs/dbraw/zinc/99/45/85/553994585.db2.gz DHVRYHUBXPNMEK-RPLLCQBOSA-N 0 1 507.562 3.694 50 0 KHAAMN O=C(NCc1ccccn1)[C@H](CN(Cc1ccc2c(c1)OCO2)C[C@@H]1CCCO1)Oc1cccc(F)c1 ZINC000034708279 553994484 /nfs/dbraw/zinc/99/44/84/553994484.db2.gz DHVRYHUBXPNMEK-IGKIAQTJSA-N 0 1 507.562 3.694 50 0 KHAAMN O=C(Cc1ccc(Cl)cc1Cl)N1CCc2n[nH]c(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2C1 ZINC000034797395 554008913 /nfs/dbraw/zinc/00/89/13/554008913.db2.gz LRFLVLGHRJKZQZ-UHFFFAOYSA-N 0 1 516.404 3.945 50 0 KHAAMN CCOC(=O)CCC(=O)N1CCCN(C(=O)[C@@H](C)N2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830434 554015688 /nfs/dbraw/zinc/01/56/88/554015688.db2.gz DEMOVKUOLXPNJI-ZBLYBZFDSA-N 0 1 511.688 3.797 50 0 KHAAMN CCOC(=O)CCC(=O)N1CCCN(C(=O)[C@H](C)N2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830435 554015617 /nfs/dbraw/zinc/01/56/17/554015617.db2.gz DEMOVKUOLXPNJI-IDISGSTGSA-N 0 1 511.688 3.797 50 0 KHAAMN O=C(CCN1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000034830474 554016077 /nfs/dbraw/zinc/01/60/77/554016077.db2.gz XDBUSAYNKVEPNJ-NDEPHWFRSA-N 0 1 507.631 3.975 50 0 KHAAMN O=C(CCN1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000034830475 554016220 /nfs/dbraw/zinc/01/62/20/554016220.db2.gz XDBUSAYNKVEPNJ-MUUNZHRXSA-N 0 1 507.631 3.975 50 0 KHAAMN O=C(CCN1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034830488 554016006 /nfs/dbraw/zinc/01/60/06/554016006.db2.gz VIHJYEGITKCRKG-HHHXNRCGSA-N 0 1 521.614 3.938 50 0 KHAAMN O=C(CCN1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034830489 554016089 /nfs/dbraw/zinc/01/60/89/554016089.db2.gz VIHJYEGITKCRKG-MHZLTWQESA-N 0 1 521.614 3.938 50 0 KHAAMN CCOC(=O)CCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@@H]1C ZINC000034830558 554016641 /nfs/dbraw/zinc/01/66/41/554016641.db2.gz YFWXAFMLTMAONR-PPHZAIPVSA-N 0 1 515.651 3.627 50 0 KHAAMN CCOC(=O)CCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@H]1C ZINC000034830559 554016437 /nfs/dbraw/zinc/01/64/37/554016437.db2.gz YFWXAFMLTMAONR-WINIVTDRSA-N 0 1 515.651 3.627 50 0 KHAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000034830615 554016585 /nfs/dbraw/zinc/01/65/85/554016585.db2.gz LXOZVQVXEQLWMH-HFZDXXHNSA-N 0 1 509.697 3.926 50 0 KHAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000034830616 554016599 /nfs/dbraw/zinc/01/65/99/554016599.db2.gz LXOZVQVXEQLWMH-LVXARBLLSA-N 0 1 509.697 3.926 50 0 KHAAMN O=C(CCN1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000034830621 554016631 /nfs/dbraw/zinc/01/66/31/554016631.db2.gz SLSVSVQKMCIFGM-SANMLTNESA-N 0 1 513.660 3.758 50 0 KHAAMN O=C(CCN1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000034830622 554016503 /nfs/dbraw/zinc/01/65/03/554016503.db2.gz SLSVSVQKMCIFGM-AREMUKBSSA-N 0 1 513.660 3.758 50 0 KHAAMN CCOC(=O)CCC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)CC(C)C ZINC000034831345 554016985 /nfs/dbraw/zinc/01/69/85/554016985.db2.gz UPCKJRYMHKPSED-UHFFFAOYSA-N 0 1 501.647 3.790 50 0 KHAAMN CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000034831382 554016931 /nfs/dbraw/zinc/01/69/31/554016931.db2.gz GLYYCFVUHFKQME-UHFFFAOYSA-N 0 1 503.619 3.812 50 0 KHAAMN O=C(Cc1cccs1)N1CCc2n[nH]c(C(=O)N3CCN(c4cccc(Cl)c4Cl)CC3)c2C1 ZINC000034831818 554017347 /nfs/dbraw/zinc/01/73/47/554017347.db2.gz BWPDODCRKDDVOI-UHFFFAOYSA-N 0 1 504.443 3.868 50 0 KHAAMN CCN1CCN(c2c(CN(CCOC)C(=O)COc3ccccc3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831840 554017319 /nfs/dbraw/zinc/01/73/19/554017319.db2.gz SQPQDLBTQSRUSA-UHFFFAOYSA-N 0 1 509.626 3.516 50 0 KHAAMN CCN1CCN(c2c(CN(CCOC)C(=O)Cc3ccc(OC)cc3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831844 554017290 /nfs/dbraw/zinc/01/72/90/554017290.db2.gz KXPXNULTXBFCPV-UHFFFAOYSA-N 0 1 523.653 3.688 50 0 KHAAMN CCN1CCN(c2c(CN(CCOC)C(=O)Cc3ccc(F)cc3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831851 554017308 /nfs/dbraw/zinc/01/73/08/554017308.db2.gz XXOFWXYTYHMGFP-UHFFFAOYSA-N 0 1 511.617 3.819 50 0 KHAAMN CCN1CCN(c2c(CN(CCOC)C(=O)Cc3ccc(OC)cc3)c(C)nn2-c2ccccc2)CC1 ZINC000034831872 554017223 /nfs/dbraw/zinc/01/72/23/554017223.db2.gz SGUHKJSPKLTKMV-UHFFFAOYSA-N 0 1 505.663 3.549 50 0 KHAAMN CCN1CCN(c2c(CN(CCOC)C(=O)COCc3ccccc3)c(C)nn2-c2ccccc2)CC1 ZINC000034831880 554017690 /nfs/dbraw/zinc/01/76/90/554017690.db2.gz IGGYZNYFECFGRY-UHFFFAOYSA-N 0 1 505.663 3.514 50 0 KHAAMN CCN1CCN(c2c(CN(CCOC)C(=O)NC3CCCCC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831887 554017651 /nfs/dbraw/zinc/01/76/51/554017651.db2.gz SBBPNGBJUOTZIS-UHFFFAOYSA-N 0 1 500.663 3.952 50 0 KHAAMN COc1ccc(CC(=O)N2CCc3[nH]nc(C(=O)NCc4cccc(C(F)(F)F)c4)c3C2)cc1OC ZINC000034831962 554017637 /nfs/dbraw/zinc/01/76/37/554017637.db2.gz KVURASZMJCTULA-UHFFFAOYSA-N 0 1 502.493 3.503 50 0 KHAAMN CCOC(=O)CCC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)[C@H](C)CC ZINC000034832074 554017588 /nfs/dbraw/zinc/01/75/88/554017588.db2.gz IQQWINHVDCMZDS-HXUWFJFHSA-N 0 1 501.647 3.932 50 0 KHAAMN CCOC(=O)CCC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)[C@@H](C)CC ZINC000034832076 554017578 /nfs/dbraw/zinc/01/75/78/554017578.db2.gz IQQWINHVDCMZDS-FQEVSTJZSA-N 0 1 501.647 3.932 50 0 KHAAMN COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)C(=O)c1cccc(OC)c1 ZINC000034834583 554018757 /nfs/dbraw/zinc/01/87/57/554018757.db2.gz KYXOKYIICRZYFB-UHFFFAOYSA-N 0 1 509.626 3.759 50 0 KHAAMN COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)C(=O)COCc1ccccc1 ZINC000034834594 554018834 /nfs/dbraw/zinc/01/88/34/554018834.db2.gz LGKSLPQQQONBAR-UHFFFAOYSA-N 0 1 523.653 3.654 50 0 KHAAMN COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)C(=O)NC1CCCCC1 ZINC000034834809 554019230 /nfs/dbraw/zinc/01/92/30/554019230.db2.gz QOWMWTXXRCQTSV-UHFFFAOYSA-N 0 1 500.663 3.952 50 0 KHAAMN COc1ccc(S(=O)(=O)N(Cc2c(C)nn(-c3ccccc3)c2N2CCN(C)CC2)CC(C)C)cc1 ZINC000034834849 554019272 /nfs/dbraw/zinc/01/92/72/554019272.db2.gz MECXDUSJGBMVFG-UHFFFAOYSA-N 0 1 511.692 3.788 50 0 KHAAMN COCCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000034834881 554019236 /nfs/dbraw/zinc/01/92/36/554019236.db2.gz SKSQRTOSGMQXSQ-UHFFFAOYSA-N 0 1 532.110 3.813 50 0 KHAAMN CCN1CCN(c2c(CN(CCCOC)C(=O)COc3ccccc3)c(C)nn2-c2ccccc2)CC1 ZINC000034835152 554019506 /nfs/dbraw/zinc/01/95/06/554019506.db2.gz NHBQUKWVCBWKNN-UHFFFAOYSA-N 0 1 505.663 3.767 50 0 KHAAMN CCN1CCN(c2c(CN(CCCOC)C(=O)COCc3ccccc3)c(C)nn2-c2ccccc2)CC1 ZINC000034835212 554019518 /nfs/dbraw/zinc/01/95/18/554019518.db2.gz RURSJXLXGWRPIB-UHFFFAOYSA-N 0 1 519.690 3.905 50 0 KHAAMN CCN1CCN(c2c(CN(C(=O)c3ccc4c(c3)OCO4)C3CC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835628 554019873 /nfs/dbraw/zinc/01/98/73/554019873.db2.gz DTXMFBBVGMDQSK-UHFFFAOYSA-N 0 1 505.594 3.995 50 0 KHAAMN CCOC(=O)CCC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C(C)C)CC1)C(C)C ZINC000034835746 554019936 /nfs/dbraw/zinc/01/99/36/554019936.db2.gz XEWHTSFOHYNAGR-UHFFFAOYSA-N 0 1 501.647 3.931 50 0 KHAAMN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)C(=O)NCC(=O)OCC ZINC000034835777 554020294 /nfs/dbraw/zinc/02/02/94/554020294.db2.gz QLMDVQQCWUBQMC-UHFFFAOYSA-N 0 1 516.662 3.589 50 0 KHAAMN CCN1CCN(c2c(CN(C3CC3)S(=O)(=O)c3ccc(F)cc3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835920 554020256 /nfs/dbraw/zinc/02/02/56/554020256.db2.gz MCDCGVUJTSKUFA-UHFFFAOYSA-N 0 1 515.630 3.954 50 0 KHAAMN Cc1ccc(S(=O)(=O)N(CCN(C)C)Cc2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000034921832 554031935 /nfs/dbraw/zinc/03/19/35/554031935.db2.gz JISHZXSUUSQZLN-UHFFFAOYSA-N 0 1 506.621 3.654 50 0 KHAAMN C[C@@H]1C[C@H](OC[C@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)CC(C)(C)C1 ZINC000035338775 554043640 /nfs/dbraw/zinc/04/36/40/554043640.db2.gz YKMYRAXRCXQAPE-JRFVFWCSSA-N 0 1 507.675 3.646 50 0 KHAAMN C[C@@H]1C[C@@H](OC[C@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)CC(C)(C)C1 ZINC000035338782 554043672 /nfs/dbraw/zinc/04/36/72/554043672.db2.gz YKMYRAXRCXQAPE-GMKZXUHWSA-N 0 1 507.675 3.646 50 0 KHAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000035363900 554044884 /nfs/dbraw/zinc/04/48/84/554044884.db2.gz IRFOMQVEONEZJC-YRIIQKNPSA-N 0 1 506.562 3.653 50 0 biogenic KHAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000035363901 554044857 /nfs/dbraw/zinc/04/48/57/554044857.db2.gz IRFOMQVEONEZJC-CPBHOCDRSA-N 0 1 506.562 3.653 50 0 biogenic KHAAMN COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccc(C)cc32)c1 ZINC000035375657 554045265 /nfs/dbraw/zinc/04/52/65/554045265.db2.gz OFGAUJZCTPUCFP-YRIIQKNPSA-N 0 1 506.562 3.653 50 0 KHAAMN COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cccc3C)c1 ZINC000035375677 554045299 /nfs/dbraw/zinc/04/52/99/554045299.db2.gz ZBBALFQLJJDNOW-YDXRHMNESA-N 0 1 506.562 3.653 50 0 KHAAMN COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cccc3C)c1 ZINC000035375681 554045356 /nfs/dbraw/zinc/04/53/56/554045356.db2.gz ZBBALFQLJJDNOW-ZASNTINBSA-N 0 1 506.562 3.653 50 0 KHAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000035806836 554075971 /nfs/dbraw/zinc/07/59/71/554075971.db2.gz DCNZOUZVSZWKDG-OVDFTCDZSA-N 0 1 518.573 3.847 50 0 biogenic KHAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cccc3C)cc1 ZINC000035808758 554077139 /nfs/dbraw/zinc/07/71/39/554077139.db2.gz DYCBCGJEMXOJHO-GURVGDRESA-N 0 1 518.573 3.847 50 0 KHAAMN COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cc(C)cc3C)c1 ZINC000035828072 554079062 /nfs/dbraw/zinc/07/90/62/554079062.db2.gz FWQJHPJFHQXZDV-GURVGDRESA-N 0 1 520.589 3.961 50 0 KHAAMN CC[N@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)[N-]C(=O)N(CCc4ccc(OC)c(OC)c4)C3=O)[C@@H]2C1 ZINC000035877114 554087823 /nfs/dbraw/zinc/08/78/23/554087823.db2.gz KIPYSZPQMVMUOI-WNCULLNHSA-N 0 1 527.021 3.572 50 0 KHAAMN CC[N@@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)[N-]C(=O)N(CCc4ccc(OC)c(OC)c4)C3=O)[C@@H]2C1 ZINC000035877114 554087820 /nfs/dbraw/zinc/08/78/20/554087820.db2.gz KIPYSZPQMVMUOI-WNCULLNHSA-N 0 1 527.021 3.572 50 0 KHAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000035883693 554088269 /nfs/dbraw/zinc/08/82/69/554088269.db2.gz PTXPZNZZBNRQDI-GURVGDRESA-N 0 1 520.589 3.961 50 0 KHAAMN CCN(Cc1ccccc1)Cc1cc(=O)[nH]c(N2CCN(C(=O)c3ccccc3Br)CC2)n1 ZINC000035926521 554099613 /nfs/dbraw/zinc/09/96/13/554099613.db2.gz OBWLLZWYWNBXOE-UHFFFAOYSA-N 0 1 510.436 3.517 50 0 KHAAMN CC[NH+]1CCN(C2=C(c3c(=O)n(-c4ccc(F)cc4)[n-]c3C(C)C)C(=O)N(C3CCCCC3)C2=O)CC1 ZINC000035960745 554108864 /nfs/dbraw/zinc/10/88/64/554108864.db2.gz JKCULOGZXLYPPY-UHFFFAOYSA-N 0 1 509.626 3.891 50 0 KHAAMN CC(C)c1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C(N2CC[NH+](C)CC2)C(=O)N(C(C)C)C1=O ZINC000035960892 554108826 /nfs/dbraw/zinc/10/88/26/554108826.db2.gz MOASHNKWZHWOCC-UHFFFAOYSA-N 0 1 506.434 3.744 50 0 KHAAMN CSCC[C@@H]1N[C@@]2(c3ccccc3N(CC(=O)Nc3ccc(C)cc3)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000035999825 554127312 /nfs/dbraw/zinc/12/73/12/554127312.db2.gz OQKYSKQSCSKLKF-YCYTWPSCSA-N 0 1 568.699 3.702 50 0 KHAAMN CN1CCN(C(=O)c2cccc(CSc3nc(-c4ccccc4)cc(N4CCN(C)CC4)n3)c2)CC1 ZINC000036021384 554139999 /nfs/dbraw/zinc/13/99/99/554139999.db2.gz MHZYWNSZKMVMCI-UHFFFAOYSA-N 0 1 502.688 3.575 50 0 KHAAMN COc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)c(C(=O)N3CCOCC3)c2)c1 ZINC000036027579 554141008 /nfs/dbraw/zinc/14/10/08/554141008.db2.gz SLPLREQHSZCUOH-UHFFFAOYSA-N 0 1 514.626 3.742 50 0 KHAAMN COCc1cc(N2CCN(Cc3ccccc3)CC2)nc(SCc2ccc(C(=O)NCC3CC3)o2)n1 ZINC000036040906 554150458 /nfs/dbraw/zinc/15/04/58/554150458.db2.gz CROOURNUBKPXKE-UHFFFAOYSA-N 0 1 507.660 3.970 50 0 KHAAMN CCN1CCN(c2cc(C(F)(F)F)nc(SCc3ccc(C(=O)NC[C@@H]4CCCO4)cc3)n2)CC1 ZINC000036045163 554153549 /nfs/dbraw/zinc/15/35/49/554153549.db2.gz VXANLWCZKPCTQX-IBGZPJMESA-N 0 1 509.598 3.838 50 0 KHAAMN CCN1CCN(c2cc(C(F)(F)F)nc(SCc3ccc(C(=O)NC[C@H]4CCCO4)cc3)n2)CC1 ZINC000036045164 554153398 /nfs/dbraw/zinc/15/33/98/554153398.db2.gz VXANLWCZKPCTQX-LJQANCHMSA-N 0 1 509.598 3.838 50 0 KHAAMN COCCNC(=O)c1ccc(CSc2nc(COC)cc(N3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000036053904 554159059 /nfs/dbraw/zinc/15/90/59/554159059.db2.gz VWBVOFHSEXJHKK-UHFFFAOYSA-N 0 1 521.687 3.614 50 0 KHAAMN COCc1cc(N2CCN(Cc3ccccc3)CC2)nc(SCc2ccc(C(=O)N3CCOCC3)cc2)n1 ZINC000036053909 554159013 /nfs/dbraw/zinc/15/90/13/554159013.db2.gz QWTDCJWIRFEXME-UHFFFAOYSA-N 0 1 533.698 3.710 50 0 KHAAMN CCOC(=O)C1CCN(C(=O)c2cccc(CSc3nc(C)cc(N4CCN(CC)CC4)n3)c2)CC1 ZINC000036059182 554160093 /nfs/dbraw/zinc/16/00/93/554160093.db2.gz SJMOYUZXGCAQOP-UHFFFAOYSA-N 0 1 511.692 3.635 50 0 KHAAMN CCN1CCN(c2cc(C(C)(C)C)nc(SCc3cccc(C(=O)N4CCN(C(C)=O)CC4)c3)n2)CC1 ZINC000036065162 554163828 /nfs/dbraw/zinc/16/38/28/554163828.db2.gz XCDXNQUVYSJQFR-UHFFFAOYSA-N 0 1 524.735 3.513 50 0 KHAAMN C[N@@H+](CCCNC(=O)c1ccc(Cn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)cc1)Cc1ccccc1 ZINC000036186924 554200333 /nfs/dbraw/zinc/20/03/33/554200333.db2.gz LKPQQFJXFRDOQK-UHFFFAOYSA-N 0 1 516.623 3.714 50 0 KHAAMN CCOC(=O)c1sc2nc(CN(C[C@H](O)COCc3ccco3)C3CCCCC3)[nH]c(=O)c2c1C ZINC000036207244 554202570 /nfs/dbraw/zinc/20/25/70/554202570.db2.gz CZJAWBROGQBADS-SFHVURJKSA-N 0 1 503.621 3.775 50 0 KHAAMN CCOC(=O)c1sc2nc(CN(C[C@@H](O)COCc3ccco3)C3CCCCC3)[nH]c(=O)c2c1C ZINC000036207245 554202619 /nfs/dbraw/zinc/20/26/19/554202619.db2.gz CZJAWBROGQBADS-GOSISDBHSA-N 0 1 503.621 3.775 50 0 KHAAMN CCN(CC)c1onc(-c2ccccc2)c1CN(CCN1CCOCC1)C[C@H](O)COCc1ccccc1 ZINC000036208267 554202995 /nfs/dbraw/zinc/20/29/95/554202995.db2.gz CTLCIIBEDPWTQH-MHZLTWQESA-N 0 1 522.690 3.900 50 0 KHAAMN CCN(CC)c1onc(-c2ccccc2)c1CN(CCN1CCOCC1)C[C@@H](O)COCc1ccccc1 ZINC000036208268 554202983 /nfs/dbraw/zinc/20/29/83/554202983.db2.gz CTLCIIBEDPWTQH-HHHXNRCGSA-N 0 1 522.690 3.900 50 0 KHAAMN COCCCN(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@@H](O)COc1ccccc1C ZINC000036249712 554210204 /nfs/dbraw/zinc/21/02/04/554210204.db2.gz GOTOOOXAXFGWIW-XMMPIXPASA-N 0 1 513.610 3.904 50 0 KHAAMN COCCCN(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@H](O)COc1ccccc1C ZINC000036249713 554210108 /nfs/dbraw/zinc/21/01/08/554210108.db2.gz GOTOOOXAXFGWIW-DEOSSOPVSA-N 0 1 513.610 3.904 50 0 KHAAMN 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/nfs/dbraw/zinc/31/85/44/554318544.db2.gz OQGMLVURGDUOEJ-UHFFFAOYSA-N 0 1 505.446 3.631 50 0 KHAAMN COc1ccc(C)cc1NC(=O)CSc1ncc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c(=O)[nH]1 ZINC000046016304 554318483 /nfs/dbraw/zinc/31/84/83/554318483.db2.gz FOSXAELOROZATL-UHFFFAOYSA-N 0 1 513.519 3.669 50 0 KHAAMN O=C(CSc1ncc(S(=O)(=O)c2cc(Cl)cc(Cl)c2)c(=O)[nH]1)Nc1ccc(F)cc1F ZINC000046016337 554318354 /nfs/dbraw/zinc/31/83/54/554318354.db2.gz HOSQFBVFENDQCX-UHFFFAOYSA-N 0 1 506.339 3.919 50 0 KHAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(OC)c(OC)c3)[nH]c2=O)cc1 ZINC000046016347 554318412 /nfs/dbraw/zinc/31/84/12/554318412.db2.gz LDSNYMVSRAGDAL-UHFFFAOYSA-N 0 1 517.629 3.693 50 0 KHAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(OC)ccc3OC)[nH]c2=O)cc1 ZINC000046016350 554318394 /nfs/dbraw/zinc/31/83/94/554318394.db2.gz YTCPBPUEWPGJCE-UHFFFAOYSA-N 0 1 517.629 3.693 50 0 KHAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(OC)cc3OC)[nH]c2=O)cc1 ZINC000046016352 554318429 /nfs/dbraw/zinc/31/84/29/554318429.db2.gz 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CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(Br)cc3)[nH]c2=O)cc1 ZINC000046016428 554319144 /nfs/dbraw/zinc/31/91/44/554319144.db2.gz MZFGZRANFCTPHE-UHFFFAOYSA-N 0 1 508.419 3.658 50 0 KHAAMN CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)[nH]c2=O)cc1 ZINC000046016436 554319122 /nfs/dbraw/zinc/31/91/22/554319122.db2.gz WZURWLWQLLMRPW-UHFFFAOYSA-N 0 1 513.519 3.751 50 0 KHAAMN COc1ccc(S(=O)(=O)Nc2nc3ccc4c(cc-3n2)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-4)cc1 ZINC000059102064 554378423 /nfs/dbraw/zinc/37/84/23/554378423.db2.gz BXPIKLOZDOUEPN-QFIPXVFZSA-N 0 1 578.647 4.207 50 0 biogenic KHAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@@]12c1ccccc1NC2=O ZINC000059485826 554397810 /nfs/dbraw/zinc/39/78/10/554397810.db2.gz SQENOGOMTDMMCZ-RRWMQESRSA-N 0 1 507.546 3.738 50 0 biogenic KHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)cc2)n1 ZINC000059522833 554403767 /nfs/dbraw/zinc/40/37/67/554403767.db2.gz IGWORKCSMBNZRG-HDICACEKSA-N 0 1 557.698 3.813 50 0 KHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)cc2)n1 ZINC000059522841 554403748 /nfs/dbraw/zinc/40/37/48/554403748.db2.gz IGWORKCSMBNZRG-ROUUACIJSA-N 0 1 557.698 3.813 50 0 KHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)cc2)n1 ZINC000059522844 554403711 /nfs/dbraw/zinc/40/37/11/554403711.db2.gz IGWORKCSMBNZRG-QZTJIDSGSA-N 0 1 557.698 3.813 50 0 KHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)cc2)n1 ZINC000059522846 554403996 /nfs/dbraw/zinc/40/39/96/554403996.db2.gz HTTYWOZWIYWFQN-UHFFFAOYSA-N 0 1 577.688 3.894 50 0 KHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)cc2)n1 ZINC000059522852 554404022 /nfs/dbraw/zinc/40/40/22/554404022.db2.gz UADADCIGCOPHMF-UHFFFAOYSA-N 0 1 543.671 3.567 50 0 KHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)cc2)n1 ZINC000059522856 554404034 /nfs/dbraw/zinc/40/40/34/554404034.db2.gz SLYDABQKFYDLPH-KRWDZBQOSA-N 0 1 543.671 3.567 50 0 KHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)cc2)n1 ZINC000059522859 554403920 /nfs/dbraw/zinc/40/39/20/554403920.db2.gz SLYDABQKFYDLPH-QGZVFWFLSA-N 0 1 543.671 3.567 50 0 KHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)cc2)n1 ZINC000059522861 554403960 /nfs/dbraw/zinc/40/39/60/554403960.db2.gz ZPRDAVUQCOIYSV-IBGZPJMESA-N 0 1 543.671 3.710 50 0 KHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)cc2)n1 ZINC000059522865 554403937 /nfs/dbraw/zinc/40/39/37/554403937.db2.gz ZPRDAVUQCOIYSV-LJQANCHMSA-N 0 1 543.671 3.710 50 0 KHAAMN CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 ZINC000059522868 554403929 /nfs/dbraw/zinc/40/39/29/554403929.db2.gz BNXDHNMSJZHFIJ-UHFFFAOYSA-N 0 1 531.660 3.567 50 0 KHAAMN CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 ZINC000059522871 554403886 /nfs/dbraw/zinc/40/38/86/554403886.db2.gz SRPGETYPIIFRLY-UHFFFAOYSA-N 0 1 545.687 3.957 50 0 KHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)cc2)n1 ZINC000059522882 554403901 /nfs/dbraw/zinc/40/39/01/554403901.db2.gz MYMAZAUMXQRFJM-UHFFFAOYSA-N 0 1 565.677 3.967 50 0 KHAAMN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)N(CCN3CCN(C)CC3)C2=S)cc1Cl ZINC000059524679 554405631 /nfs/dbraw/zinc/40/56/31/554405631.db2.gz BDYCAKQOEJYFIW-OAQYLSRUSA-N 0 1 594.963 3.689 50 0 KHAAMN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)N(CCN3CCN(C)CC3)C2=S)cc1Cl ZINC000059524682 554405675 /nfs/dbraw/zinc/40/56/75/554405675.db2.gz BDYCAKQOEJYFIW-NRFANRHFSA-N 0 1 594.963 3.689 50 0 KHAAMN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc(OC)c(OCC(=O)Nc2ccccc2OC)cc1Br ZINC000059608164 554410812 /nfs/dbraw/zinc/41/08/12/554410812.db2.gz BSTKIBYFLMXEOW-JOCHJYFZSA-N 0 1 564.458 3.840 50 0 KHAAMN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cc(OC)c(OCC(=O)Nc2ccccc2OC)cc1Br ZINC000059608167 554410766 /nfs/dbraw/zinc/41/07/66/554410766.db2.gz BSTKIBYFLMXEOW-QFIPXVFZSA-N 0 1 564.458 3.840 50 0 KHAAMN CCOC(=O)c1ccc(NC(=O)COc2cc(Br)c([C@H]3NC(=S)N=C(C)C3C(=O)OC)cc2OC)cc1 ZINC000059608418 554411368 /nfs/dbraw/zinc/41/13/68/554411368.db2.gz YBOPOCDDMGQIAO-JOCHJYFZSA-N 0 1 592.468 3.618 50 0 KHAAMN CCOC(=O)c1ccc(NC(=O)COc2cc(Br)c([C@@H]3NC(=S)N=C(C)C3C(=O)OC)cc2OC)cc1 ZINC000059608421 554411299 /nfs/dbraw/zinc/41/12/99/554411299.db2.gz YBOPOCDDMGQIAO-QFIPXVFZSA-N 0 1 592.468 3.618 50 0 KHAAMN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cc(I)c(OCC(=O)OC)c(OCC)c1 ZINC000059608435 554411292 /nfs/dbraw/zinc/41/12/92/554411292.db2.gz ZHOMPOSEALRJOU-OAQYLSRUSA-N 0 1 580.375 3.570 50 0 KHAAMN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(I)c(OCC(=O)OC)c(OCC)c1 ZINC000059608439 554411338 /nfs/dbraw/zinc/41/13/38/554411338.db2.gz ZHOMPOSEALRJOU-NRFANRHFSA-N 0 1 580.375 3.570 50 0 KHAAMN CCOC(=O)c1sc(NC(=O)CSc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)c(C(=O)OCC)c1C ZINC000059616802 554412944 /nfs/dbraw/zinc/41/29/44/554412944.db2.gz TWLIIXRNKOBHTK-UHFFFAOYSA-N 0 1 534.616 3.943 50 0 KHAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)cc(C)c3)S(C)(=O)=O)cc2)c1 ZINC000059651566 554418783 /nfs/dbraw/zinc/41/87/83/554418783.db2.gz WJVLZEIZIXRCKH-UHFFFAOYSA-N 0 1 547.655 3.526 50 0 KHAAMN O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000059758382 554428156 /nfs/dbraw/zinc/42/81/56/554428156.db2.gz UIXDQFYUEDGJBU-UHFFFAOYSA-N 0 1 522.578 3.815 50 0 KHAAMN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N(CCN(C)C)c3nc4ccc(Cl)cc4s3)cc2)C[C@H](C)O1 ZINC000060209296 554502980 /nfs/dbraw/zinc/50/29/80/554502980.db2.gz HZGVIUOYVDDVEJ-CALCHBBNSA-N 0 1 537.107 3.956 50 0 KHAAMN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N(CCN(C)C)c3nc4ccc(Cl)cc4s3)cc2)C[C@H](C)O1 ZINC000060209297 554503108 /nfs/dbraw/zinc/50/31/08/554503108.db2.gz HZGVIUOYVDDVEJ-IRXDYDNUSA-N 0 1 537.107 3.956 50 0 KHAAMN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N(CCN(C)C)c3nc4ccc(Cl)cc4s3)cc2)C[C@@H](C)O1 ZINC000060209298 554503010 /nfs/dbraw/zinc/50/30/10/554503010.db2.gz HZGVIUOYVDDVEJ-IAGOWNOFSA-N 0 1 537.107 3.956 50 0 KHAAMN CN(C)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C[C@@H]2CCCO2)cc1)c1nc2ccc(Cl)cc2s1 ZINC000060209313 554503078 /nfs/dbraw/zinc/50/30/78/554503078.db2.gz ZENLHFGHUCPGET-IBGZPJMESA-N 0 1 537.107 3.958 50 0 KHAAMN CN(C)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C[C@H]2CCCO2)cc1)c1nc2ccc(Cl)cc2s1 ZINC000060209314 554503159 /nfs/dbraw/zinc/50/31/59/554503159.db2.gz ZENLHFGHUCPGET-LJQANCHMSA-N 0 1 537.107 3.958 50 0 KHAAMN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N(CCN(C)C)c3nc4c(cccc4Cl)s3)cc2)C[C@H](C)O1 ZINC000060209412 554503208 /nfs/dbraw/zinc/50/32/08/554503208.db2.gz PFQVABZKMJKOAU-CALCHBBNSA-N 0 1 537.107 3.956 50 0 KHAAMN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N(CCN(C)C)c3nc4c(cccc4Cl)s3)cc2)C[C@H](C)O1 ZINC000060209413 554502974 /nfs/dbraw/zinc/50/29/74/554502974.db2.gz PFQVABZKMJKOAU-IRXDYDNUSA-N 0 1 537.107 3.956 50 0 KHAAMN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N(CCN(C)C)c3nc4c(cccc4Cl)s3)cc2)C[C@@H](C)O1 ZINC000060209414 554503128 /nfs/dbraw/zinc/50/31/28/554503128.db2.gz PFQVABZKMJKOAU-IAGOWNOFSA-N 0 1 537.107 3.956 50 0 KHAAMN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(CCN(C)C)c3nc4c(cccc4Cl)s3)cc2)CC1 ZINC000060209421 554503218 /nfs/dbraw/zinc/50/32/18/554503218.db2.gz GYZNTAWTMHFACT-UHFFFAOYSA-N 0 1 580.132 3.621 50 0 KHAAMN CN(C)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000060209436 554503168 /nfs/dbraw/zinc/50/31/68/554503168.db2.gz JSLCOEYZFJEEKI-UHFFFAOYSA-N 0 1 530.672 3.798 50 0 KHAAMN CC1CCN(S(=O)(=O)c2ccc(C(=O)N(CCN(C)C)c3nc4cc5c(cc4s3)OCO5)cc2)CC1 ZINC000060209448 554503196 /nfs/dbraw/zinc/50/31/96/554503196.db2.gz ZVMZJLSDFCPZQU-UHFFFAOYSA-N 0 1 530.672 3.654 50 0 KHAAMN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(CCN(C)C)c3nc4cc5c(cc4s3)OCO5)cc2)C1 ZINC000060209449 554503437 /nfs/dbraw/zinc/50/34/37/554503437.db2.gz KACFGHGSLNBFIF-QGZVFWFLSA-N 0 1 530.672 3.654 50 0 KHAAMN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(CCN(C)C)c3nc4cc5c(cc4s3)OCO5)cc2)C1 ZINC000060209450 554503452 /nfs/dbraw/zinc/50/34/52/554503452.db2.gz KACFGHGSLNBFIF-KRWDZBQOSA-N 0 1 530.672 3.654 50 0 KHAAMN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(CCN(C)C)c2nc3cc4c(cc3s2)OCO4)cc1 ZINC000060209451 554503362 /nfs/dbraw/zinc/50/33/62/554503362.db2.gz PZUUOZJQOITKKA-QGZVFWFLSA-N 0 1 530.672 3.797 50 0 KHAAMN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(CCN(C)C)c2nc3cc4c(cc3s2)OCO4)cc1 ZINC000060209452 554503412 /nfs/dbraw/zinc/50/34/12/554503412.db2.gz PZUUOZJQOITKKA-KRWDZBQOSA-N 0 1 530.672 3.797 50 0 KHAAMN CN(C)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000060209466 554503312 /nfs/dbraw/zinc/50/33/12/554503312.db2.gz IFXAXXRUJHXFAQ-UHFFFAOYSA-N 0 1 544.699 3.841 50 0 KHAAMN CC1CCN(S(=O)(=O)c2ccc(C(=O)N(CCN(C)C)c3nc4cc5c(cc4s3)OCCO5)cc2)CC1 ZINC000060209475 554503349 /nfs/dbraw/zinc/50/33/49/554503349.db2.gz JXVMOEAOJFRKIX-UHFFFAOYSA-N 0 1 544.699 3.697 50 0 KHAAMN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(CCN(C)C)c3nc4cc5c(cc4s3)OCCO5)cc2)C1 ZINC000060209476 554503343 /nfs/dbraw/zinc/50/33/43/554503343.db2.gz TURRXQGEYLGINL-GOSISDBHSA-N 0 1 544.699 3.697 50 0 KHAAMN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(CCN(C)C)c3nc4cc5c(cc4s3)OCCO5)cc2)C1 ZINC000060209477 554503307 /nfs/dbraw/zinc/50/33/07/554503307.db2.gz TURRXQGEYLGINL-SFHVURJKSA-N 0 1 544.699 3.697 50 0 KHAAMN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N(CCN(C)C)c3nc4c(cc(F)cc4F)s3)cc2)C[C@H](C)O1 ZINC000060209634 554503382 /nfs/dbraw/zinc/50/33/82/554503382.db2.gz CJZTUGMZWHOBBH-IYBDPMFKSA-N 0 1 538.642 3.581 50 0 KHAAMN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N(CCN(C)C)c3nc4c(cc(F)cc4F)s3)cc2)C[C@H](C)O1 ZINC000060209635 554503368 /nfs/dbraw/zinc/50/33/68/554503368.db2.gz CJZTUGMZWHOBBH-HOTGVXAUSA-N 0 1 538.642 3.581 50 0 KHAAMN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N(CCN(C)C)c3nc4c(cc(F)cc4F)s3)cc2)C[C@@H](C)O1 ZINC000060209636 554503336 /nfs/dbraw/zinc/50/33/36/554503336.db2.gz CJZTUGMZWHOBBH-HZPDHXFCSA-N 0 1 538.642 3.581 50 0 KHAAMN COc1ccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(c4ccccc4NC3=O)[C@]23c2ccccc2NC3=O)cc1OC ZINC000061999351 554506081 /nfs/dbraw/zinc/50/60/81/554506081.db2.gz IWFBVFXBYUHHJW-RRWMQESRSA-N 0 1 509.562 3.718 50 0 biogenic KHAAMN Cc1cccc2c1NC(=O)[C@]21N2CCC[C@H]2[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@@]12c1ccccc1NC2=O ZINC000061999381 554506402 /nfs/dbraw/zinc/50/64/02/554506402.db2.gz GFVGSZYUHYHJSG-RGRUVFKLSA-N 0 1 507.546 3.738 50 0 biogenic KHAAMN O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)C(F)(F)F ZINC000062260660 554506574 /nfs/dbraw/zinc/50/65/74/554506574.db2.gz FNRMNMMETFNKCU-ZWKOTPCHSA-N 0 1 501.427 3.925 50 0 KHAAMN O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C(F)(F)F ZINC000062260661 554506580 /nfs/dbraw/zinc/50/65/80/554506580.db2.gz FNRMNMMETFNKCU-QZTJIDSGSA-N 0 1 501.427 3.925 50 0 KHAAMN O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)C(F)(F)F ZINC000062260662 554506577 /nfs/dbraw/zinc/50/65/77/554506577.db2.gz FNRMNMMETFNKCU-ROUUACIJSA-N 0 1 501.427 3.925 50 0 KHAAMN O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C(F)(F)F ZINC000062260663 554506639 /nfs/dbraw/zinc/50/66/39/554506639.db2.gz FNRMNMMETFNKCU-MSOLQXFVSA-N 0 1 501.427 3.925 50 0 KHAAMN CCCN1C(=O)c2c(C(=O)Nc3c(F)c(F)c(F)c(F)c3F)ncn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000064953654 554521438 /nfs/dbraw/zinc/52/14/38/554521438.db2.gz GDPAHUYPKAZRIU-QHCPKHFHSA-N 0 1 513.467 3.514 50 0 KHAAMN CCCN1C(=O)c2c(C(=O)Nc3c(F)c(F)c(F)c(F)c3F)ncn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000064953656 554521459 /nfs/dbraw/zinc/52/14/59/554521459.db2.gz GDPAHUYPKAZRIU-HSZRJFAPSA-N 0 1 513.467 3.514 50 0 KHAAMN CCOC(=O)C1C(CNc2ccc(I)cc2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000066089585 554527989 /nfs/dbraw/zinc/52/79/89/554527989.db2.gz VCPKSVNIHCMZJG-LJQANCHMSA-N 0 1 507.328 3.583 50 0 KHAAMN CCOC(=O)C1C(CNc2ccc(I)cc2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000066089587 554527969 /nfs/dbraw/zinc/52/79/69/554527969.db2.gz VCPKSVNIHCMZJG-IBGZPJMESA-N 0 1 507.328 3.583 50 0 KHAAMN COc1ccc(OC)c(CN2CCN(C(=O)c3ccc(C)c(S(=O)(=O)Nc4ccccc4OC)c3)CC2)c1 ZINC000066123879 554528580 /nfs/dbraw/zinc/52/85/80/554528580.db2.gz BFHHLQWMXLGGON-UHFFFAOYSA-N 0 1 539.654 3.780 50 0 KHAAMN CCOc1ccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)NCc2ccc(C(F)(F)F)cc2)cc1 ZINC000067197250 554530281 /nfs/dbraw/zinc/53/02/81/554530281.db2.gz IOEYIHKYEFEFQW-UHFFFAOYSA-N 0 1 503.506 3.935 50 0 KHAAMN O=C([O-])c1cc(Cl)ccc1NC(=O)COCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000068267481 554538765 /nfs/dbraw/zinc/53/87/65/554538765.db2.gz NYFQDUPIZKZQAX-UHFFFAOYSA-N 0 1 522.001 3.927 50 0 KHAAMN CCOc1ccc(C[C@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000070669822 553598931 /nfs/dbraw/zinc/59/89/31/553598931.db2.gz FFXRJMBKRMFLEQ-SQJKUQPUSA-N 0 1 568.674 3.741 50 0 biogenic KHAAMN O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](C[C@@]2(Cc3cccc4ccccc43)C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)C1 ZINC000070670217 553600878 /nfs/dbraw/zinc/60/08/78/553600878.db2.gz VTGBWQUPDWFOIK-MNSKVMIUSA-N 0 1 560.654 3.928 50 0 biogenic KHAAMN O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](C[C@@]2(Cc3cccc4ccccc43)C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)C1 ZINC000070670217 553600874 /nfs/dbraw/zinc/60/08/74/553600874.db2.gz VTGBWQUPDWFOIK-MNSKVMIUSA-N 0 1 560.654 3.928 50 0 biogenic KHAAMN O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](C[C@]2(Cc3cccc4ccccc43)C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)C1 ZINC000070670218 553600906 /nfs/dbraw/zinc/60/09/06/553600906.db2.gz VTGBWQUPDWFOIK-YPESTHEKSA-N 0 1 560.654 3.928 50 0 biogenic KHAAMN O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](C[C@]2(Cc3cccc4ccccc43)C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)C1 ZINC000070670218 553600902 /nfs/dbraw/zinc/60/09/02/553600902.db2.gz VTGBWQUPDWFOIK-YPESTHEKSA-N 0 1 560.654 3.928 50 0 biogenic KHAAMN CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C(O)(c5ccccc5)c5ccccc5)CC4)[C@H]3C[C@]21O ZINC000070673216 553603432 /nfs/dbraw/zinc/60/34/32/553603432.db2.gz OJGQVUNCDWSLLG-BSWFFRQDSA-N 0 1 548.724 3.776 50 0 biogenic KHAAMN CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C(O)(c5ccccc5)c5ccccc5)CC4)[C@H]3C[C@@]21O ZINC000070673218 553603449 /nfs/dbraw/zinc/60/34/49/553603449.db2.gz OJGQVUNCDWSLLG-DTPMOPKRSA-N 0 1 548.724 3.776 50 0 biogenic KHAAMN CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(C(O)(c5ccccc5)c5ccccc5)CC4)[C@H]3C[C@]21O ZINC000070673223 553603421 /nfs/dbraw/zinc/60/34/21/553603421.db2.gz OJGQVUNCDWSLLG-FTFRXCRBSA-N 0 1 548.724 3.776 50 0 biogenic KHAAMN CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(C(O)(c5ccccc5)c5ccccc5)CC4)[C@H]3C[C@@]21O ZINC000070673225 553603587 /nfs/dbraw/zinc/60/35/87/553603587.db2.gz OJGQVUNCDWSLLG-DWIVKANCSA-N 0 1 548.724 3.776 50 0 biogenic KHAAMN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000070692318 553610871 /nfs/dbraw/zinc/61/08/71/553610871.db2.gz JJKATDSZJFBADD-YKEGNUIGSA-N 0 1 541.007 3.993 50 0 biogenic KHAAMN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)N[C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000070692319 553610802 /nfs/dbraw/zinc/61/08/02/553610802.db2.gz JJKATDSZJFBADD-SOFFMGJWSA-N 0 1 541.007 3.993 50 0 biogenic KHAAMN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000070692320 553611153 /nfs/dbraw/zinc/61/11/53/553611153.db2.gz JJKATDSZJFBADD-LFNVBFKESA-N 0 1 541.007 3.993 50 0 biogenic KHAAMN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)N[C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000070692321 553611158 /nfs/dbraw/zinc/61/11/58/553611158.db2.gz JJKATDSZJFBADD-YXMNTCDSSA-N 0 1 541.007 3.993 50 0 biogenic KHAAMN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccccc2)N[C@]32C(=O)Nc3c2ccc(Cl)c3C)cc1 ZINC000070697493 553612805 /nfs/dbraw/zinc/61/28/05/553612805.db2.gz PLVYGCLVPQZIFZ-MVPDCNEZSA-N 0 1 529.980 3.741 50 0 biogenic KHAAMN COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)N[C@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000070697625 553612996 /nfs/dbraw/zinc/61/29/96/553612996.db2.gz IOSRRQIAKBTPCU-XKKSJELASA-N 0 1 529.980 3.603 50 0 biogenic KHAAMN Cc1c2c(ccc1Cl)[C@@]1(N[C@@H](Cc3ccccc3)[C@H]3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)[C@H]31)C(=O)N2 ZINC000070697791 553613386 /nfs/dbraw/zinc/61/33/86/553613386.db2.gz ITYDIIWJURGXJP-WENIATCFSA-N 0 1 529.980 3.587 50 0 biogenic KHAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccccc2)N[C@]32C(=O)Nc3c2ccc(Cl)c3C)cc1 ZINC000070698480 553614401 /nfs/dbraw/zinc/61/44/01/553614401.db2.gz VHOYRWVXANMKGE-PUMORYBASA-N 0 1 544.007 3.993 50 0 biogenic KHAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000070699294 553615922 /nfs/dbraw/zinc/61/59/22/553615922.db2.gz DCNZOUZVSZWKDG-MFUXGYHDSA-N 0 1 518.573 3.847 50 0 biogenic KHAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000070699624 553616550 /nfs/dbraw/zinc/61/65/50/553616550.db2.gz BQISCCZYILXTSA-BESNRVDSSA-N 0 1 548.599 3.821 50 0 biogenic KHAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000070699625 553616565 /nfs/dbraw/zinc/61/65/65/553616565.db2.gz BQISCCZYILXTSA-WEBZSHJMSA-N 0 1 548.599 3.821 50 0 biogenic KHAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000070699627 553616526 /nfs/dbraw/zinc/61/65/26/553616526.db2.gz BQISCCZYILXTSA-ACIRYHQQSA-N 0 1 548.599 3.821 50 0 biogenic KHAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000070699629 553616541 /nfs/dbraw/zinc/61/65/41/553616541.db2.gz BQISCCZYILXTSA-XTQYNZLPSA-N 0 1 548.599 3.821 50 0 biogenic KHAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070700479 553618562 /nfs/dbraw/zinc/61/85/62/553618562.db2.gz KFGYFUABRHPIOH-IDCDSMMUSA-N 0 1 526.980 3.998 50 0 biogenic KHAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070700480 553618529 /nfs/dbraw/zinc/61/85/29/553618529.db2.gz KFGYFUABRHPIOH-CHCBTGSZSA-N 0 1 526.980 3.998 50 0 biogenic KHAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070700493 553618486 /nfs/dbraw/zinc/61/84/86/553618486.db2.gz KFGYFUABRHPIOH-HNFJUSDZSA-N 0 1 526.980 3.998 50 0 biogenic KHAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070700496 553618571 /nfs/dbraw/zinc/61/85/71/553618571.db2.gz KFGYFUABRHPIOH-MVPDCNEZSA-N 0 1 526.980 3.998 50 0 biogenic KHAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000070700730 553619097 /nfs/dbraw/zinc/61/90/97/553619097.db2.gz IIHRBBSXOWQSNC-GBXYDCMPSA-N 0 1 526.980 3.998 50 0 biogenic KHAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000070700732 553619152 /nfs/dbraw/zinc/61/91/52/553619152.db2.gz IIHRBBSXOWQSNC-ANARSLNQSA-N 0 1 526.980 3.998 50 0 biogenic KHAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000070700735 553619184 /nfs/dbraw/zinc/61/91/84/553619184.db2.gz IIHRBBSXOWQSNC-APSVEGKFSA-N 0 1 526.980 3.998 50 0 biogenic KHAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000070700737 553619078 /nfs/dbraw/zinc/61/90/78/553619078.db2.gz IIHRBBSXOWQSNC-JLMYGFKKSA-N 0 1 526.980 3.998 50 0 biogenic KHAAMN O=C1Nc2ccc(Cl)cc2[C@@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000070705149 553624763 /nfs/dbraw/zinc/62/47/63/553624763.db2.gz FJMKGXIUJXDRSC-SHJMPOBASA-N 0 1 554.990 3.760 50 0 biogenic KHAAMN O=C1Nc2ccc(Cl)cc2[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000070705153 553624867 /nfs/dbraw/zinc/62/48/67/553624867.db2.gz FJMKGXIUJXDRSC-QXQHHZKDSA-N 0 1 554.990 3.760 50 0 biogenic KHAAMN O=C1Nc2ccc(Cl)cc2[C@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000070705156 553624807 /nfs/dbraw/zinc/62/48/07/553624807.db2.gz FJMKGXIUJXDRSC-AKKJASCUSA-N 0 1 554.990 3.760 50 0 biogenic KHAAMN O=C1Nc2ccc(Cl)cc2[C@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000070705159 553624837 /nfs/dbraw/zinc/62/48/37/553624837.db2.gz FJMKGXIUJXDRSC-ZCTJEENXSA-N 0 1 554.990 3.760 50 0 biogenic KHAAMN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070705232 553624844 /nfs/dbraw/zinc/62/48/44/553624844.db2.gz COQOVWCOLFFINH-ZASNTINBSA-N 0 1 554.990 3.914 50 0 biogenic KHAAMN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070705235 553624852 /nfs/dbraw/zinc/62/48/52/553624852.db2.gz COQOVWCOLFFINH-ZRIOWSNCSA-N 0 1 554.990 3.914 50 0 biogenic KHAAMN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070705239 553624752 /nfs/dbraw/zinc/62/47/52/553624752.db2.gz COQOVWCOLFFINH-YDXRHMNESA-N 0 1 554.990 3.914 50 0 biogenic KHAAMN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070705240 553624819 /nfs/dbraw/zinc/62/48/19/553624819.db2.gz COQOVWCOLFFINH-SODQHWRNSA-N 0 1 554.990 3.914 50 0 biogenic KHAAMN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000070705380 553625376 /nfs/dbraw/zinc/62/53/76/553625376.db2.gz ZNUNINODJIXIFE-CPBHOCDRSA-N 0 1 554.990 3.914 50 0 biogenic KHAAMN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000070705384 553625341 /nfs/dbraw/zinc/62/53/41/553625341.db2.gz ZNUNINODJIXIFE-YTEUAAESSA-N 0 1 554.990 3.914 50 0 biogenic KHAAMN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000070705385 553625359 /nfs/dbraw/zinc/62/53/59/553625359.db2.gz ZNUNINODJIXIFE-YRIIQKNPSA-N 0 1 554.990 3.914 50 0 biogenic KHAAMN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000070705388 553625309 /nfs/dbraw/zinc/62/53/09/553625309.db2.gz ZNUNINODJIXIFE-TUAOVVRQSA-N 0 1 554.990 3.914 50 0 biogenic KHAAMN COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000070705546 553625798 /nfs/dbraw/zinc/62/57/98/553625798.db2.gz MMNUQQYQOPVVFV-RQYFMHENSA-N 0 1 554.990 3.776 50 0 biogenic KHAAMN COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)N[C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000070705548 553625826 /nfs/dbraw/zinc/62/58/26/553625826.db2.gz MMNUQQYQOPVVFV-VGQFRJMESA-N 0 1 554.990 3.776 50 0 biogenic KHAAMN COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000070705550 553625869 /nfs/dbraw/zinc/62/58/69/553625869.db2.gz MMNUQQYQOPVVFV-MOLUGRFGSA-N 0 1 554.990 3.776 50 0 biogenic KHAAMN COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)N[C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000070705552 553625811 /nfs/dbraw/zinc/62/58/11/553625811.db2.gz MMNUQQYQOPVVFV-NVNPJPSRSA-N 0 1 554.990 3.776 50 0 biogenic KHAAMN COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2c1cccc2Cl ZINC000070705824 553626736 /nfs/dbraw/zinc/62/67/36/553626736.db2.gz YCGSGWVEFHDMJF-CRFMIDIVSA-N 0 1 554.990 3.776 50 0 biogenic KHAAMN COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)N[C@]21C(=O)Nc2c1cccc2Cl ZINC000070705826 553626684 /nfs/dbraw/zinc/62/66/84/553626684.db2.gz YCGSGWVEFHDMJF-TWNJKGIPSA-N 0 1 554.990 3.776 50 0 biogenic KHAAMN COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2c1cccc2Cl ZINC000070705829 553626721 /nfs/dbraw/zinc/62/67/21/553626721.db2.gz YCGSGWVEFHDMJF-SFDBNFMMSA-N 0 1 554.990 3.776 50 0 biogenic KHAAMN COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)N[C@]21C(=O)Nc2c1cccc2Cl ZINC000070705832 553626696 /nfs/dbraw/zinc/62/66/96/553626696.db2.gz YCGSGWVEFHDMJF-ROPNYJAFSA-N 0 1 554.990 3.776 50 0 biogenic KHAAMN O=C1Nc2ccc(Cl)cc2[C@@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070706170 553627222 /nfs/dbraw/zinc/62/72/22/553627222.db2.gz IWQPULVMROQYLD-SHJMPOBASA-N 0 1 554.990 3.713 50 0 biogenic KHAAMN O=C1Nc2ccc(Cl)cc2[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070706172 553627466 /nfs/dbraw/zinc/62/74/66/553627466.db2.gz IWQPULVMROQYLD-QXQHHZKDSA-N 0 1 554.990 3.713 50 0 biogenic KHAAMN O=C1Nc2ccc(Cl)cc2[C@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070706175 553627489 /nfs/dbraw/zinc/62/74/89/553627489.db2.gz IWQPULVMROQYLD-AKKJASCUSA-N 0 1 554.990 3.713 50 0 biogenic KHAAMN O=C1Nc2ccc(Cl)cc2[C@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070706178 553627460 /nfs/dbraw/zinc/62/74/60/553627460.db2.gz IWQPULVMROQYLD-ZCTJEENXSA-N 0 1 554.990 3.713 50 0 biogenic KHAAMN O=C1Nc2c(cccc2Cl)[C@@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070706585 553628275 /nfs/dbraw/zinc/62/82/75/553628275.db2.gz HTKSYLRHCHFDLG-CTQZMECCSA-N 0 1 554.990 3.713 50 0 biogenic KHAAMN O=C1Nc2c(cccc2Cl)[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070706588 553628249 /nfs/dbraw/zinc/62/82/49/553628249.db2.gz HTKSYLRHCHFDLG-LKYDWOEASA-N 0 1 554.990 3.713 50 0 biogenic KHAAMN O=C1Nc2c(cccc2Cl)[C@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070706591 553628231 /nfs/dbraw/zinc/62/82/31/553628231.db2.gz HTKSYLRHCHFDLG-GVVNTEAZSA-N 0 1 554.990 3.713 50 0 biogenic KHAAMN O=C1Nc2c(cccc2Cl)[C@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070706597 553628262 /nfs/dbraw/zinc/62/82/62/553628262.db2.gz HTKSYLRHCHFDLG-PFGOARBGSA-N 0 1 554.990 3.713 50 0 biogenic KHAAMN COc1ccccc1N(C[C@H](O)CN1CCC(O)(c2ccc(Cl)cc2)CC1)S(=O)(=O)c1ccccc1 ZINC000071281370 553634764 /nfs/dbraw/zinc/63/47/64/553634764.db2.gz CAYWPYIINGNRKT-HSZRJFAPSA-N 0 1 531.074 3.888 50 0 KHAAMN COc1ccccc1N(C[C@@H](O)CN1CCC(O)(c2ccc(Cl)cc2)CC1)S(=O)(=O)c1ccccc1 ZINC000071281372 553634657 /nfs/dbraw/zinc/63/46/57/553634657.db2.gz CAYWPYIINGNRKT-QHCPKHFHSA-N 0 1 531.074 3.888 50 0 KHAAMN CN1CCN(c2ccc(C(=O)Nc3cc(-c4cccc(NS(=O)(=O)c5ccccc5)c4)[nH]n3)cc2)CC1 ZINC000072178031 553645606 /nfs/dbraw/zinc/64/56/06/553645606.db2.gz RRKKHABFIOHAOI-UHFFFAOYSA-N 0 1 516.627 3.882 50 0 KHAAMN Cc1c(NC(=O)OC[C@H]2COCCN2)cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12 ZINC000072190221 553646025 /nfs/dbraw/zinc/64/60/25/553646025.db2.gz LUJZZYWHBDHDQX-JOCHJYFZSA-N 0 1 530.564 3.855 50 0 investigational KHAAMN O=C(Nc1cc2c(Nc3ccc4c(Cc5ccc(F)cc5)n[nH]c4c3)ncnn2c1)OC[C@@H]1COCCN1 ZINC000072194217 553645935 /nfs/dbraw/zinc/64/59/35/553645935.db2.gz VNNGPHISTFZVGO-FQEVSTJZSA-N 0 1 516.537 3.616 50 0 KHAAMN COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@H]4C=C[C@H](C4)[C@@H]3C(N)=O)n2)ccc2c1CC[C@@H](N1CCOCC1)CC2 ZINC000084654307 553677979 /nfs/dbraw/zinc/67/79/79/553677979.db2.gz LAJAFFLJAJMYLK-CVOKMOJFSA-N 0 1 539.080 3.550 50 0 in-vitro KHAAMN O=C1CCCN1c1ccc(CN2C(=O)C[C@@H](N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000095483170 553702212 /nfs/dbraw/zinc/70/22/12/553702212.db2.gz JALSWMOMPNKHAI-MUUNZHRXSA-N 0 1 522.649 3.848 50 0 KHAAMN COc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000096022007 553718852 /nfs/dbraw/zinc/71/88/52/553718852.db2.gz CUXJXNKQYGVDCA-UHFFFAOYSA-N 0 1 597.140 3.979 50 0 KHAAMN O=C(CN1CC[C@@H](C(=O)Nc2ccc3[nH]nc(-c4ccncc4)c3c2)C1)N1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC000096174209 553727257 /nfs/dbraw/zinc/72/72/57/553727257.db2.gz HDAJDNHIBCDLQF-RUZDIDTESA-N 0 1 587.688 3.691 50 0 in-vitro KHAAMN CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(CSc3nc(CC)cc(N4CCN(CC)CC4)n3)c2)C1 ZINC000096211147 553729921 /nfs/dbraw/zinc/72/99/21/553729921.db2.gz GSOSIIBOQWGECT-QHCPKHFHSA-N 0 1 525.719 3.889 50 0 KHAAMN CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(CSc3nc(CC)cc(N4CCN(CC)CC4)n3)c2)C1 ZINC000096211148 553729906 /nfs/dbraw/zinc/72/99/06/553729906.db2.gz GSOSIIBOQWGECT-HSZRJFAPSA-N 0 1 525.719 3.889 50 0 KHAAMN CCN1CCN(c2cc(C(C)(C)C)nc(SCc3ccc(C(=O)N4CCN(C(C)=O)CC4)cc3)n2)CC1 ZINC000096280030 553736576 /nfs/dbraw/zinc/73/65/76/553736576.db2.gz RCSCUVPLJOJXEK-UHFFFAOYSA-N 0 1 524.735 3.513 50 0 KHAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CCC(=O)N1CCCCC1 ZINC000096324080 553752011 /nfs/dbraw/zinc/75/20/11/553752011.db2.gz ODKNXHMTIPZKCU-UHFFFAOYSA-N 0 1 510.037 3.928 50 0 KHAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)/C=C\c2ccc(F)cc2)CC1 ZINC000096822533 1066493365 /nfs/dbraw/zinc/49/33/65/1066493365.db2.gz PECRXJFYORLHIM-JYRVWZFOSA-N 0 1 500.640 3.794 50 0 KHAAMN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1I ZINC000097940349 553764557 /nfs/dbraw/zinc/76/45/57/553764557.db2.gz LRJZRTOOXZXREY-UHFFFAOYSA-N 0 1 538.367 3.760 50 0 KHAAMN Cc1ccc(OCC(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c(Br)c1 ZINC000097940360 553764958 /nfs/dbraw/zinc/76/49/58/553764958.db2.gz ZSJPEACKGZJPPJ-UHFFFAOYSA-N 0 1 564.487 3.857 50 0 KHAAMN COc1ccc(-c2cc3[nH]c4c(c(=O)n3n2)CN(C(=O)CCc2nc3ccc(Cl)cc3[nH]2)CC4)cc1 ZINC000097942143 553768000 /nfs/dbraw/zinc/76/80/00/553768000.db2.gz UODZRBDAPHTJKW-UHFFFAOYSA-N 0 1 502.962 3.745 50 0 KHAAMN CCCn1nc(C)c(-c2cc(C(=O)N3CCc4[nH]c5cc(-c6ccc(OC)cc6)nn5c(=O)c4C3)n[nH]2)c1C ZINC000097942147 553768030 /nfs/dbraw/zinc/76/80/30/553768030.db2.gz MDPSPDAYEASECN-UHFFFAOYSA-N 0 1 526.601 3.510 50 0 KHAAMN Cc1cc(Cl)ccc1OCC(=O)NCCCN1CCN(CCCNC(=O)COc2ccc(Cl)cc2C)CC1 ZINC000097948360 553793315 /nfs/dbraw/zinc/79/33/15/553793315.db2.gz IRYQVDYUZOIWNE-UHFFFAOYSA-N 0 1 565.542 3.698 50 0 KHAAMN Cn1c2nc(N3CCN(Cc4ccccc4)CC3)n(CCCSc3nc4ccccc4s3)c2c(=O)[nH]c1=O ZINC000097954069 553821253 /nfs/dbraw/zinc/82/12/53/553821253.db2.gz UPIOUJRHAILFFP-UHFFFAOYSA-N 0 1 547.710 3.538 50 0 KHAAMN COc1cc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccnn1C ZINC000097954434 553823178 /nfs/dbraw/zinc/82/31/78/553823178.db2.gz OQJYFRXZUDHKGP-NXCFDTQHSA-N 0 1 524.533 3.699 50 0 KHAAMN O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CC[N@@H+](Cc4ccc5c(c4)OCO5)C[C@@H]32)C(=O)N1c1ccc(F)cc1 ZINC000097956759 553841515 /nfs/dbraw/zinc/84/15/15/553841515.db2.gz LZYQCGGBEZLGIB-VAVYLYDRSA-N 0 1 528.540 3.911 50 0 KHAAMN O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CC[N@H+](Cc4ccc5c(c4)OCO5)C[C@@H]32)C(=O)N1c1ccc(F)cc1 ZINC000097956759 553841512 /nfs/dbraw/zinc/84/15/12/553841512.db2.gz LZYQCGGBEZLGIB-VAVYLYDRSA-N 0 1 528.540 3.911 50 0 KHAAMN O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CC[N@@H+](Cc4ccc5c(c4)OCO5)C[C@@H]32)C(=O)N1c1ccc(F)cc1 ZINC000097956760 553841487 /nfs/dbraw/zinc/84/14/87/553841487.db2.gz LZYQCGGBEZLGIB-IRPSRAIASA-N 0 1 528.540 3.911 50 0 KHAAMN O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CC[N@H+](Cc4ccc5c(c4)OCO5)C[C@@H]32)C(=O)N1c1ccc(F)cc1 ZINC000097956760 553841484 /nfs/dbraw/zinc/84/14/84/553841484.db2.gz LZYQCGGBEZLGIB-IRPSRAIASA-N 0 1 528.540 3.911 50 0 KHAAMN O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CC[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]32)C(=O)N1c1ccc(F)cc1 ZINC000097956761 553841541 /nfs/dbraw/zinc/84/15/41/553841541.db2.gz LZYQCGGBEZLGIB-ABYGYWHVSA-N 0 1 528.540 3.911 50 0 KHAAMN O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CC[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]32)C(=O)N1c1ccc(F)cc1 ZINC000097956761 553841540 /nfs/dbraw/zinc/84/15/40/553841540.db2.gz LZYQCGGBEZLGIB-ABYGYWHVSA-N 0 1 528.540 3.911 50 0 KHAAMN O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CC[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]32)C(=O)N1c1ccc(F)cc1 ZINC000097956762 553841530 /nfs/dbraw/zinc/84/15/30/553841530.db2.gz LZYQCGGBEZLGIB-SVEHJYQDSA-N 0 1 528.540 3.911 50 0 KHAAMN O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CC[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]32)C(=O)N1c1ccc(F)cc1 ZINC000097956762 553841528 /nfs/dbraw/zinc/84/15/28/553841528.db2.gz LZYQCGGBEZLGIB-SVEHJYQDSA-N 0 1 528.540 3.911 50 0 KHAAMN Nc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)[nH]c(=O)c1NC(=O)c1ccc(Br)o1 ZINC000097958208 553852037 /nfs/dbraw/zinc/85/20/37/553852037.db2.gz IYZOZPQEGHYJNW-UHFFFAOYSA-N 0 1 532.298 3.710 50 0 KHAAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3O)c(=O)n2[C@@H]1c1cccs1 ZINC000097958760 553857403 /nfs/dbraw/zinc/85/74/03/553857403.db2.gz QMWSCYCRMFZKDS-XYMPBJBSSA-N 0 1 539.860 3.981 50 0 KHAAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3O)c(=O)n2[C@H]1c1cccs1 ZINC000097958761 553857380 /nfs/dbraw/zinc/85/73/80/553857380.db2.gz QMWSCYCRMFZKDS-KCPLEYNQSA-N 0 1 539.860 3.981 50 0 KHAAMN COc1cc([C@H](CC(=O)N2CCN(C)CC2)c2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)cc2c1OCCO2 ZINC000097971859 553963562 /nfs/dbraw/zinc/96/35/62/553963562.db2.gz ZEJDJMCHWAOSTK-NRFANRHFSA-N 0 1 572.614 3.947 50 0 biogenic KHAAMN COc1cc([C@@H](CC(=O)N2CCN(C)CC2)c2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)cc2c1OCCO2 ZINC000097971860 553963685 /nfs/dbraw/zinc/96/36/85/553963685.db2.gz ZEJDJMCHWAOSTK-OAQYLSRUSA-N 0 1 572.614 3.947 50 0 biogenic KHAAMN COc1cc([C@H](CC(=O)N2CCN(C)CC2)c2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)cc2c1OCO2 ZINC000097971880 553963509 /nfs/dbraw/zinc/96/35/09/553963509.db2.gz KSFLTEQSOXQOMK-FQEVSTJZSA-N 0 1 558.587 3.905 50 0 biogenic KHAAMN COc1cc([C@@H](CC(=O)N2CCN(C)CC2)c2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)cc2c1OCO2 ZINC000097971881 553963416 /nfs/dbraw/zinc/96/34/16/553963416.db2.gz KSFLTEQSOXQOMK-HXUWFJFHSA-N 0 1 558.587 3.905 50 0 biogenic KHAAMN COc1cc([C@@H](CC(=O)N2CCOCC2)c2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)cc(OC)c1O ZINC000097971935 553964198 /nfs/dbraw/zinc/96/41/98/553964198.db2.gz XGHCZJUCXUCQDA-LJQANCHMSA-N 0 1 547.560 3.975 50 0 biogenic KHAAMN COc1cc([C@H](CC(=O)N2CCOCC2)c2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)cc(OC)c1O ZINC000097971936 553964284 /nfs/dbraw/zinc/96/42/84/553964284.db2.gz XGHCZJUCXUCQDA-IBGZPJMESA-N 0 1 547.560 3.975 50 0 biogenic KHAAMN COc1cc([C@@H](CC(=O)N2CCOCC2)c2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)cc2c1OCO2 ZINC000097971973 553964571 /nfs/dbraw/zinc/96/45/71/553964571.db2.gz BBOAGZRUBUEUAU-LJQANCHMSA-N 0 1 545.544 3.989 50 0 biogenic KHAAMN COc1cc([C@H](CC(=O)N2CCOCC2)c2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)cc2c1OCO2 ZINC000097971974 553964609 /nfs/dbraw/zinc/96/46/09/553964609.db2.gz BBOAGZRUBUEUAU-IBGZPJMESA-N 0 1 545.544 3.989 50 0 biogenic KHAAMN COc1cc([C@H](CC(=O)N2CCN(C)CC2)c2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)cc(OC)c1O ZINC000097972070 553965569 /nfs/dbraw/zinc/96/55/69/553965569.db2.gz KOQDBNLJBZSLLJ-FQEVSTJZSA-N 0 1 560.603 3.890 50 0 biogenic KHAAMN COc1cc([C@@H](CC(=O)N2CCN(C)CC2)c2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)cc(OC)c1O ZINC000097972071 553965739 /nfs/dbraw/zinc/96/57/39/553965739.db2.gz KOQDBNLJBZSLLJ-HXUWFJFHSA-N 0 1 560.603 3.890 50 0 biogenic KHAAMN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000097976761 553972458 /nfs/dbraw/zinc/97/24/58/553972458.db2.gz MLYBJSLTWDQSGD-UHFFFAOYSA-N 0 1 654.689 3.616 50 0 KHAAMN O=C1c2ccccc2C(=CNc2ccc(S(=O)(=O)Nc3ncccn3)cc2)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000097980458 553988691 /nfs/dbraw/zinc/98/86/91/553988691.db2.gz HRZYYDYYEGKKPJ-HZHRSRAPSA-N 0 1 555.572 3.642 50 0 KHAAMN COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)Nc2ccc(OC)c(NS(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000097980619 553989872 /nfs/dbraw/zinc/98/98/72/553989872.db2.gz FYDBHXQGKIEHDG-CVDFKLHSSA-N 0 1 527.574 3.800 50 0 KHAAMN COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)Nc2ccc(OC)c(NS(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000097980620 553989944 /nfs/dbraw/zinc/98/99/44/553989944.db2.gz FYDBHXQGKIEHDG-GFGNLIMNSA-N 0 1 527.574 3.800 50 0 KHAAMN O=S(=O)(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)c1ccc2ccccc2c1 ZINC000097981286 553992759 /nfs/dbraw/zinc/99/27/59/553992759.db2.gz HREANPLFSQVDOZ-UHFFFAOYSA-N 0 1 530.546 3.603 50 0 KHAAMN CC(=O)c1ccc(NC(=S)NCCCN2CCN(CCCNC(=S)Nc3ccc(C(C)=O)cc3)CC2)cc1 ZINC000097981323 553993252 /nfs/dbraw/zinc/99/32/52/553993252.db2.gz NVIKHZKWKXNIKK-UHFFFAOYSA-N 0 1 554.786 3.763 50 0 KHAAMN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c(S(=O)(=O)Nc3ccccc3OC)c2)cc1 ZINC000097982336 554001233 /nfs/dbraw/zinc/00/12/33/554001233.db2.gz CVPSMDIDNRMRES-UHFFFAOYSA-N 0 1 570.693 3.858 50 0 KHAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=S)NC(=O)c2cccs2)ccc1N1CCOCC1 ZINC000097982337 554001280 /nfs/dbraw/zinc/00/12/80/554001280.db2.gz PKSVXUMEHLPFOV-UHFFFAOYSA-N 0 1 532.669 3.521 50 0 KHAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=S)NC(=O)C3CC3)ccc2OC)cc1Br ZINC000097982367 554001609 /nfs/dbraw/zinc/00/16/09/554001609.db2.gz FELGGVCHETUPMF-UHFFFAOYSA-N 0 1 528.450 3.880 50 0 KHAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)CCc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000097982590 554003657 /nfs/dbraw/zinc/00/36/57/554003657.db2.gz DRDBTCZGSXVLFM-UHFFFAOYSA-N 0 1 574.744 3.600 50 0 KHAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)/C=C/c2ccc(OC)cc2OC)CC1 ZINC000097982591 554003660 /nfs/dbraw/zinc/00/36/60/554003660.db2.gz OXOXZIWFFZRSQX-UKTHLTGXSA-N 0 1 542.702 3.672 50 0 KHAAMN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000097982880 554005609 /nfs/dbraw/zinc/00/56/09/554005609.db2.gz VZDOAPCYQBMJFV-UHFFFAOYSA-N 0 1 554.021 3.553 50 0 KHAAMN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000097982881 554005734 /nfs/dbraw/zinc/00/57/34/554005734.db2.gz NEGZLSQFPGYNGY-UHFFFAOYSA-N 0 1 572.011 3.692 50 0 KHAAMN O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000097982884 554005757 /nfs/dbraw/zinc/00/57/57/554005757.db2.gz XSWPLZGPKPUXIT-UHFFFAOYSA-N 0 1 554.021 3.553 50 0 KHAAMN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)c1C ZINC000097982893 554006036 /nfs/dbraw/zinc/00/60/36/554006036.db2.gz MJIATQKWZQNLFA-UHFFFAOYSA-N 0 1 642.800 3.831 50 0 KHAAMN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000097982917 554006270 /nfs/dbraw/zinc/00/62/70/554006270.db2.gz AMQVZNFFOURGLU-UHFFFAOYSA-N 0 1 594.509 3.832 50 0 KHAAMN Cc1ccc(C)c(N2CCN(C(=O)c3c[nH]c4ccc(S(=O)(=O)N5CCN(c6ccc(F)cc6)CC5)cc4c3=O)CC2)c1 ZINC000097985371 554023083 /nfs/dbraw/zinc/02/30/83/554023083.db2.gz QUWKBRAYJCLQGQ-UHFFFAOYSA-N 0 1 603.720 3.757 50 0 KHAAMN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 ZINC000097987844 554027384 /nfs/dbraw/zinc/02/73/84/554027384.db2.gz XFUGUIUICUBYII-OAQYLSRUSA-N 0 1 543.671 3.791 50 0 KHAAMN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 ZINC000097987845 554027469 /nfs/dbraw/zinc/02/74/69/554027469.db2.gz XFUGUIUICUBYII-NRFANRHFSA-N 0 1 543.671 3.791 50 0 KHAAMN CCOC(=O)c1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(=O)[nH]2)cc1 ZINC000097999335 554042366 /nfs/dbraw/zinc/04/23/66/554042366.db2.gz QNBNIWGXZPPYKT-UHFFFAOYSA-N 0 1 552.428 3.685 50 0 KHAAMN COc1ccc(OC)c(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(=O)[nH]2)c1 ZINC000097999338 554042329 /nfs/dbraw/zinc/04/23/29/554042329.db2.gz LIYFITIYTBJCCT-UHFFFAOYSA-N 0 1 540.417 3.526 50 0 KHAAMN O=C(CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[nH]1)Nc1ccc(F)cc1F ZINC000097999341 554042308 /nfs/dbraw/zinc/04/23/08/554042308.db2.gz SOFBGJOCKNTSEY-UHFFFAOYSA-N 0 1 516.345 3.787 50 0 KHAAMN CCOC(=O)c1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[nH]1 ZINC000097999342 554042316 /nfs/dbraw/zinc/04/23/16/554042316.db2.gz IQDHEYWWDPJVSV-UHFFFAOYSA-N 0 1 552.428 3.685 50 0 KHAAMN CCOC(=O)C1=C(CNc2cc(S(=O)(=O)N(CC)CC)ccc2OC)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000098006163 554060932 /nfs/dbraw/zinc/06/09/32/554060932.db2.gz GNHSVTBMJZFCKY-VWLOTQADSA-N 0 1 544.674 3.626 50 0 KHAAMN CCOC(=O)C1=C(CNc2cc(S(=O)(=O)N(CC)CC)ccc2OC)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000098006164 554060919 /nfs/dbraw/zinc/06/09/19/554060919.db2.gz GNHSVTBMJZFCKY-RUZDIDTESA-N 0 1 544.674 3.626 50 0 KHAAMN CC(C)C[C@@H]1N[C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000098006373 554061796 /nfs/dbraw/zinc/06/17/96/554061796.db2.gz MQORFJWRNILJKM-ZCZAQENUSA-N 0 1 548.643 3.642 50 0 KHAAMN CC(C)C[C@@H]1N[C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000098007028 554062385 /nfs/dbraw/zinc/06/23/85/554062385.db2.gz OXQWRDPRSYEMRK-CJYIORQLSA-N 0 1 562.670 3.637 50 0 KHAAMN CCOC(=O)C1C(CN(Cc2ccc3c(c2)OCO3)C(=O)c2ccc(OC)cc2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000098008898 554067844 /nfs/dbraw/zinc/06/78/44/554067844.db2.gz BCOWVWRJFREZJW-MUUNZHRXSA-N 0 1 573.602 3.946 50 0 KHAAMN CCOC(=O)C1C(CN(Cc2ccc3c(c2)OCO3)C(=O)c2ccc(OC)cc2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000098008899 554067749 /nfs/dbraw/zinc/06/77/49/554067749.db2.gz BCOWVWRJFREZJW-NDEPHWFRSA-N 0 1 573.602 3.946 50 0 KHAAMN CCOC(=O)C1C(CN(CCOC)C(=O)c2ccc(C(=O)C(F)(F)F)cc2)=NC(=O)N[C@@H]1c1cccc(F)c1 ZINC000098008940 554068222 /nfs/dbraw/zinc/06/82/22/554068222.db2.gz IBCHCJHKKWFFEC-OAQYLSRUSA-N 0 1 551.493 3.531 50 0 KHAAMN CCOC(=O)C1C(CN(CCOC)C(=O)c2ccc(C(=O)C(F)(F)F)cc2)=NC(=O)N[C@H]1c1cccc(F)c1 ZINC000098008941 554068143 /nfs/dbraw/zinc/06/81/43/554068143.db2.gz IBCHCJHKKWFFEC-NRFANRHFSA-N 0 1 551.493 3.531 50 0 KHAAMN CCOC(=O)C1C(CN(CCc2ccc(OC)c(OC)c2)C(=O)c2ccc(OC)cc2)=NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000098008962 554068213 /nfs/dbraw/zinc/06/82/13/554068213.db2.gz UGPWGEVHNWTKFU-SSEXGKCCSA-N 0 1 617.655 3.997 50 0 KHAAMN CCOC(=O)C1C(CN(CCc2ccc(OC)c(OC)c2)C(=O)c2ccc(OC)cc2)=NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000098008963 554068203 /nfs/dbraw/zinc/06/82/03/554068203.db2.gz UGPWGEVHNWTKFU-PMERELPUSA-N 0 1 617.655 3.997 50 0 KHAAMN CC[NH+]1CCN(C2=C(c3c(=O)n(-c4ccccc4)[n-]c3-c3ccccc3)C(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1 ZINC000098012486 554091273 /nfs/dbraw/zinc/09/12/73/554091273.db2.gz BYQZZMPRXAJZSM-UHFFFAOYSA-N 0 1 563.614 3.896 50 0 KHAAMN COc1ccc(N2C(=O)C(c3c(=O)n(-c4ccc(Cl)cc4)[n-]c3C(C)C)=C(N3CC[NH+](C)CC3)C2=O)cc1 ZINC000098012491 554091255 /nfs/dbraw/zinc/09/12/55/554091255.db2.gz IXYXVAHJYULOHJ-UHFFFAOYSA-N 0 1 536.032 3.895 50 0 KHAAMN COc1ccc(N2C(=O)C(c3c(=O)n(-c4ccc(Cl)cc4)[n-]c3C(C)C)=C(N3CC[NH+](C)CC3)C2=O)c(OC)c1 ZINC000098012492 554091181 /nfs/dbraw/zinc/09/11/81/554091181.db2.gz OECAYKWSLDTUSR-UHFFFAOYSA-N 0 1 566.058 3.904 50 0 KHAAMN CCN1CCN(c2cc(-c3ccccc3)nc(SCc3ccc(C(=O)NCCN4CCOCC4)cc3)n2)CC1 ZINC000098015062 554095613 /nfs/dbraw/zinc/09/56/13/554095613.db2.gz HCWBAZKZDCDWJD-UHFFFAOYSA-N 0 1 546.741 3.640 50 0 KHAAMN O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1 ZINC000098043545 554128296 /nfs/dbraw/zinc/12/82/96/554128296.db2.gz WXWXTFDDIBLNLG-UHFFFAOYSA-N 0 1 566.690 3.838 50 0 KHAAMN CCOC(=O)C1C(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)=NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 ZINC000098045779 554133784 /nfs/dbraw/zinc/13/37/84/554133784.db2.gz NIMNWZBKWIOVDZ-RUZDIDTESA-N 0 1 562.589 3.854 50 0 KHAAMN CCOC(=O)C1C(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)=NC(=O)N[C@H]1c1ccc(OC)c(COC)c1 ZINC000098045780 554133829 /nfs/dbraw/zinc/13/38/29/554133829.db2.gz NIMNWZBKWIOVDZ-VWLOTQADSA-N 0 1 562.589 3.854 50 0 KHAAMN COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)cc1)c2=O ZINC000098049270 554164716 /nfs/dbraw/zinc/16/47/16/554164716.db2.gz BXZDVXAMKVBJQC-UHFFFAOYSA-N 0 1 589.693 3.975 50 0 KHAAMN O=C(CCCCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)N1CCN(C(=O)c2ccco2)CC1 ZINC000098049359 554165396 /nfs/dbraw/zinc/16/53/96/554165396.db2.gz HKPFKIOZWRUTSB-UHFFFAOYSA-N 0 1 533.448 3.960 50 0 KHAAMN CCOc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCN(Cc5ccccc5)CC4)c(=O)c3c2)cc1 ZINC000098049828 554169504 /nfs/dbraw/zinc/16/95/04/554169504.db2.gz LRKIVVJYZZTPIK-UHFFFAOYSA-N 0 1 560.676 3.710 50 0 KHAAMN O=c1cc(CSc2nnnn2-c2ccccc2)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]1 ZINC000100126650 554225002 /nfs/dbraw/zinc/22/50/02/554225002.db2.gz GRCBYJFCMGRXMA-UHFFFAOYSA-N 0 1 536.665 3.950 50 0 KHAAMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C)N[C@@]32c3ccccc3N(Cc3ccccc3Cl)C2=O)cc1 ZINC000100151470 554231801 /nfs/dbraw/zinc/23/18/01/554231801.db2.gz RJCXHRKTFLCZRJ-ALHGIDGMSA-N 0 1 528.996 3.838 50 0 KHAAMN CC(C)C[C@@H]1N[C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000100164693 554236269 /nfs/dbraw/zinc/23/62/69/554236269.db2.gz MQORFJWRNILJKM-NRCOVMQDSA-N 0 1 548.643 3.642 50 0 KHAAMN CC(C)C[C@@H]1N[C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000100166584 554236817 /nfs/dbraw/zinc/23/68/17/554236817.db2.gz OXQWRDPRSYEMRK-JBRONXBDSA-N 0 1 562.670 3.637 50 0 KHAAMN O=C(CN1c2ccccc2[C@@]2(N[C@@H](Cc3ccccc3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O)N1CCc2ccccc21 ZINC000100166595 554236814 /nfs/dbraw/zinc/23/68/14/554236814.db2.gz YGUJCLINQPHMLA-ILQCLMRVSA-N 0 1 596.687 3.834 50 0 KHAAMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(C)C)N[C@@]32c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)cc1 ZINC000100182309 554241940 /nfs/dbraw/zinc/24/19/40/554241940.db2.gz PGZILDWXWNYEMZ-FXFRUQBKSA-N 0 1 605.695 3.600 50 0 KHAAMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Br)c3O)c(=O)n2[C@@H]1c1ccccc1 ZINC000100305914 554294097 /nfs/dbraw/zinc/29/40/97/554294097.db2.gz JIDFJGTVGSHEKS-RPXHZFJKSA-N 0 1 533.831 3.920 50 0 KHAAMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Br)c3O)c(=O)n2[C@H]1c1ccccc1 ZINC000100305917 554294076 /nfs/dbraw/zinc/29/40/76/554294076.db2.gz JIDFJGTVGSHEKS-DMVFFGLYSA-N 0 1 533.831 3.920 50 0 KHAAMN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1cc(O)c2c(c1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000100329060 1066190289 /nfs/dbraw/zinc/19/02/89/1066190289.db2.gz VUOFIHCZMOIBFY-QHCPKHFHSA-N 0 1 570.554 3.697 50 0 KHAAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000100533972 554411439 /nfs/dbraw/zinc/41/14/39/554411439.db2.gz OWYUSVORIAVXGF-RTXJXEIKSA-N 0 1 533.389 3.539 50 0 KHAAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000100533977 554411420 /nfs/dbraw/zinc/41/14/20/554411420.db2.gz OWYUSVORIAVXGF-FFMVHGEESA-N 0 1 533.389 3.539 50 0 KHAAMN COc1ccc(CCN2C(=O)C[C@@H](N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1OC ZINC000100552059 554415115 /nfs/dbraw/zinc/41/51/15/554415115.db2.gz ZUBYGKHFFFCHHL-AREMUKBSSA-N 0 1 513.638 3.781 50 0 KHAAMN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2n[nH]c(=S)n2-c2ccc(Br)cc2)cc1 ZINC000100626071 554434980 /nfs/dbraw/zinc/43/49/80/554434980.db2.gz 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/nfs/dbraw/zinc/75/38/53/554753853.db2.gz VXSPMTRZHHSUEC-PCEYSVKOSA-N 0 1 533.588 3.602 50 0 KHAAMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cccc3C)cc1 ZINC000101389085 554753837 /nfs/dbraw/zinc/75/38/37/554753837.db2.gz VXSPMTRZHHSUEC-ZGQJUUMOSA-N 0 1 533.588 3.602 50 0 KHAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101390012 554754062 /nfs/dbraw/zinc/75/40/62/554754062.db2.gz PTXPZNZZBNRQDI-XZSHTLEFSA-N 0 1 520.589 3.961 50 0 KHAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101390016 554754114 /nfs/dbraw/zinc/75/41/14/554754114.db2.gz PTXPZNZZBNRQDI-ZGQJUUMOSA-N 0 1 520.589 3.961 50 0 KHAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101390019 554754041 /nfs/dbraw/zinc/75/40/41/554754041.db2.gz PTXPZNZZBNRQDI-PCEYSVKOSA-N 0 1 520.589 3.961 50 0 KHAAMN CCc1cccc2c1NC(=O)[C@]21N[C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@H]21 ZINC000101390257 554754032 /nfs/dbraw/zinc/75/40/32/554754032.db2.gz RHSPXIGVAZSTAE-XTQYNZLPSA-N 0 1 547.615 3.856 50 0 KHAAMN CCc1cccc2c1NC(=O)[C@@]21N[C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@H]21 ZINC000101390261 554754091 /nfs/dbraw/zinc/75/40/91/554754091.db2.gz RHSPXIGVAZSTAE-ACIRYHQQSA-N 0 1 547.615 3.856 50 0 KHAAMN CCc1cccc2c1NC(=O)[C@]21N[C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@H]21 ZINC000101390266 554754106 /nfs/dbraw/zinc/75/41/06/554754106.db2.gz RHSPXIGVAZSTAE-WEBZSHJMSA-N 0 1 547.615 3.856 50 0 KHAAMN CCc1cccc2c1NC(=O)[C@@]21N[C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@H]21 ZINC000101390268 554754027 /nfs/dbraw/zinc/75/40/27/554754027.db2.gz RHSPXIGVAZSTAE-BESNRVDSSA-N 0 1 547.615 3.856 50 0 KHAAMN CCc1ccc2c(c1)[C@]1(N[C@@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C(=O)[C@H]31)C(=O)N2 ZINC000101390504 554754304 /nfs/dbraw/zinc/75/43/04/554754304.db2.gz XAGUWEUGOILZHF-CKXMCULTSA-N 0 1 547.615 3.856 50 0 KHAAMN CCc1ccc2c(c1)[C@@]1(N[C@@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C(=O)[C@H]31)C(=O)N2 ZINC000101390507 554754412 /nfs/dbraw/zinc/75/44/12/554754412.db2.gz XAGUWEUGOILZHF-WPQKMFINSA-N 0 1 547.615 3.856 50 0 KHAAMN CCc1ccc2c(c1)[C@]1(N[C@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C(=O)[C@H]31)C(=O)N2 ZINC000101390510 554754389 /nfs/dbraw/zinc/75/43/89/554754389.db2.gz XAGUWEUGOILZHF-YSGXDJDMSA-N 0 1 547.615 3.856 50 0 KHAAMN CCc1ccc2c(c1)[C@@]1(N[C@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C(=O)[C@H]31)C(=O)N2 ZINC000101390514 554754355 /nfs/dbraw/zinc/75/43/55/554754355.db2.gz XAGUWEUGOILZHF-QNNAYCHJSA-N 0 1 547.615 3.856 50 0 KHAAMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000101390897 554754384 /nfs/dbraw/zinc/75/43/84/554754384.db2.gz VKCGAKGSUZPTSS-ZASNTINBSA-N 0 1 554.006 3.947 50 0 KHAAMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000101390903 554754366 /nfs/dbraw/zinc/75/43/66/554754366.db2.gz VKCGAKGSUZPTSS-ZRIOWSNCSA-N 0 1 554.006 3.947 50 0 KHAAMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000101390908 554754317 /nfs/dbraw/zinc/75/43/17/554754317.db2.gz VKCGAKGSUZPTSS-YDXRHMNESA-N 0 1 554.006 3.947 50 0 KHAAMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000101390913 554754324 /nfs/dbraw/zinc/75/43/24/554754324.db2.gz VKCGAKGSUZPTSS-SODQHWRNSA-N 0 1 554.006 3.947 50 0 KHAAMN COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cccc3Cl)c1 ZINC000101391142 554754275 /nfs/dbraw/zinc/75/42/75/554754275.db2.gz INFMZOKDRQGTML-IDCDSMMUSA-N 0 1 526.980 3.998 50 0 KHAAMN COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cccc3Cl)c1 ZINC000101391146 554754402 /nfs/dbraw/zinc/75/44/02/554754402.db2.gz INFMZOKDRQGTML-CHCBTGSZSA-N 0 1 526.980 3.998 50 0 KHAAMN COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cccc3Cl)c1 ZINC000101391151 554754569 /nfs/dbraw/zinc/75/45/69/554754569.db2.gz INFMZOKDRQGTML-HNFJUSDZSA-N 0 1 526.980 3.998 50 0 KHAAMN COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cccc3Cl)c1 ZINC000101391157 554754510 /nfs/dbraw/zinc/75/45/10/554754510.db2.gz INFMZOKDRQGTML-MVPDCNEZSA-N 0 1 526.980 3.998 50 0 KHAAMN O=C1Nc2c(cccc2Cl)[C@@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000101391340 554754776 /nfs/dbraw/zinc/75/47/76/554754776.db2.gz UQRYPVGZWLLCCE-CTQZMECCSA-N 0 1 554.990 3.760 50 0 KHAAMN O=C1Nc2c(cccc2Cl)[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000101391345 554754779 /nfs/dbraw/zinc/75/47/79/554754779.db2.gz UQRYPVGZWLLCCE-LKYDWOEASA-N 0 1 554.990 3.760 50 0 KHAAMN O=C1Nc2c(cccc2Cl)[C@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000101391350 554754795 /nfs/dbraw/zinc/75/47/95/554754795.db2.gz UQRYPVGZWLLCCE-GVVNTEAZSA-N 0 1 554.990 3.760 50 0 KHAAMN O=C1Nc2c(cccc2Cl)[C@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000101391353 554754811 /nfs/dbraw/zinc/75/48/11/554754811.db2.gz UQRYPVGZWLLCCE-PFGOARBGSA-N 0 1 554.990 3.760 50 0 KHAAMN COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cc(C)cc3C)c1 ZINC000101391428 554755041 /nfs/dbraw/zinc/75/50/41/554755041.db2.gz FWQJHPJFHQXZDV-XZSHTLEFSA-N 0 1 520.589 3.961 50 0 KHAAMN COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cc(C)cc3C)c1 ZINC000101391432 554754951 /nfs/dbraw/zinc/75/49/51/554754951.db2.gz FWQJHPJFHQXZDV-ZGQJUUMOSA-N 0 1 520.589 3.961 50 0 KHAAMN COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cc(C)cc3C)c1 ZINC000101391437 554754990 /nfs/dbraw/zinc/75/49/90/554754990.db2.gz FWQJHPJFHQXZDV-PCEYSVKOSA-N 0 1 520.589 3.961 50 0 KHAAMN CCc1cccc2c1NC(=O)[C@]21N[C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000101391477 554754920 /nfs/dbraw/zinc/75/49/20/554754920.db2.gz UUTVXPBLASTPMZ-VVPNKDTJSA-N 0 1 548.599 3.669 50 0 KHAAMN CCc1cccc2c1NC(=O)[C@@]21N[C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000101391482 554754975 /nfs/dbraw/zinc/75/49/75/554754975.db2.gz UUTVXPBLASTPMZ-YIZCCYSQSA-N 0 1 548.599 3.669 50 0 KHAAMN CCc1cccc2c1NC(=O)[C@]21N[C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000101391487 554754967 /nfs/dbraw/zinc/75/49/67/554754967.db2.gz UUTVXPBLASTPMZ-FOLYNEBTSA-N 0 1 548.599 3.669 50 0 KHAAMN CCc1cccc2c1NC(=O)[C@@]21N[C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000101391494 554755034 /nfs/dbraw/zinc/75/50/34/554755034.db2.gz UUTVXPBLASTPMZ-WZUKXRJWSA-N 0 1 548.599 3.669 50 0 KHAAMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101392322 554755961 /nfs/dbraw/zinc/75/59/61/554755961.db2.gz VMSNXNXFRGHQLI-ACIRYHQQSA-N 0 1 547.615 3.911 50 0 KHAAMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101392325 554755997 /nfs/dbraw/zinc/75/59/97/554755997.db2.gz VMSNXNXFRGHQLI-XTQYNZLPSA-N 0 1 547.615 3.911 50 0 KHAAMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101392331 554755982 /nfs/dbraw/zinc/75/59/82/554755982.db2.gz VMSNXNXFRGHQLI-BESNRVDSSA-N 0 1 547.615 3.911 50 0 KHAAMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101392334 554755978 /nfs/dbraw/zinc/75/59/78/554755978.db2.gz VMSNXNXFRGHQLI-WEBZSHJMSA-N 0 1 547.615 3.911 50 0 KHAAMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000101392481 554756038 /nfs/dbraw/zinc/75/60/38/554756038.db2.gz FDRPPJHHXIOWSH-CPBHOCDRSA-N 0 1 554.006 3.947 50 0 KHAAMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000101392484 554755956 /nfs/dbraw/zinc/75/59/56/554755956.db2.gz FDRPPJHHXIOWSH-YTEUAAESSA-N 0 1 554.006 3.947 50 0 KHAAMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000101392486 554756032 /nfs/dbraw/zinc/75/60/32/554756032.db2.gz FDRPPJHHXIOWSH-YRIIQKNPSA-N 0 1 554.006 3.947 50 0 KHAAMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000101392490 554755948 /nfs/dbraw/zinc/75/59/48/554755948.db2.gz FDRPPJHHXIOWSH-TUAOVVRQSA-N 0 1 554.006 3.947 50 0 KHAAMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000101393075 554756283 /nfs/dbraw/zinc/75/62/83/554756283.db2.gz ILIWLGIVKAWZIS-OVDFTCDZSA-N 0 1 533.588 3.602 50 0 KHAAMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000101393081 554756199 /nfs/dbraw/zinc/75/61/99/554756199.db2.gz ILIWLGIVKAWZIS-ALBQUZEBSA-N 0 1 533.588 3.602 50 0 KHAAMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000101393084 554756307 /nfs/dbraw/zinc/75/63/07/554756307.db2.gz ILIWLGIVKAWZIS-MFUXGYHDSA-N 0 1 533.588 3.602 50 0 KHAAMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000101393088 554756193 /nfs/dbraw/zinc/75/61/93/554756193.db2.gz ILIWLGIVKAWZIS-BYBRNZAOSA-N 0 1 533.588 3.602 50 0 KHAAMN O=C1Nc2ccc(Br)cc2[C@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000101393575 554756259 /nfs/dbraw/zinc/75/62/59/554756259.db2.gz YAPHKTAXQNRXCF-XOSJJEKJSA-N 0 1 585.414 3.827 50 0 KHAAMN O=C1Nc2ccc(Br)cc2[C@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000101393578 554756245 /nfs/dbraw/zinc/75/62/45/554756245.db2.gz YAPHKTAXQNRXCF-CVRJGYJLSA-N 0 1 585.414 3.827 50 0 KHAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@]1(CC(=O)N2)c2ccccc2N(CC(=O)Nc2c(C)cccc2C)C1=O ZINC000101407614 554762394 /nfs/dbraw/zinc/76/23/94/554762394.db2.gz RSEMLOCPMGWVCI-LJAQVGFWSA-N 0 1 547.579 3.727 50 0 KHAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@]1(CC(=O)N2)c2ccccc2N(CC(=O)Nc2c(C)cccc2C)C1=O ZINC000101407615 554762363 /nfs/dbraw/zinc/76/23/63/554762363.db2.gz RSEMLOCPMGWVCI-GDLZYMKVSA-N 0 1 547.579 3.727 50 0 KHAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@]1(CC(=O)N2)c2ccccc2N(CCc2ccc3c(c2)CCO3)C1=O ZINC000101409985 554763415 /nfs/dbraw/zinc/76/34/15/554763415.db2.gz XJQLKLFABOHQRZ-GDLZYMKVSA-N 0 1 532.564 3.649 50 0 KHAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@]1(CC(=O)N2)c2ccccc2N(CCc2ccc3c(c2)CCO3)C1=O ZINC000101409986 554763420 /nfs/dbraw/zinc/76/34/20/554763420.db2.gz XJQLKLFABOHQRZ-LJAQVGFWSA-N 0 1 532.564 3.649 50 0 KHAAMN COc1ccc(CCN2c3ccc(F)cc3[C@@]3(CC(=O)Nc4c3c(C)nn4-c3ncnc4nc[nH]c43)C2=O)cc1 ZINC000101410018 554763300 /nfs/dbraw/zinc/76/33/00/554763300.db2.gz UAKWCTNTIZZXFG-MUUNZHRXSA-N 0 1 538.543 3.862 50 0 KHAAMN COc1ccc(CCN2c3ccc(F)cc3[C@]3(CC(=O)Nc4c3c(C)nn4-c3ncnc4nc[nH]c43)C2=O)cc1 ZINC000101410019 554763402 /nfs/dbraw/zinc/76/34/02/554763402.db2.gz UAKWCTNTIZZXFG-NDEPHWFRSA-N 0 1 538.543 3.862 50 0 KHAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@]1(CC(=O)N2)c2ccccc2N(Cc2cc3ccccc3n(C)c2=O)C1=O ZINC000101410248 554763749 /nfs/dbraw/zinc/76/37/49/554763749.db2.gz SRUZMNCRTRXPKN-SSEXGKCCSA-N 0 1 557.574 3.524 50 0 KHAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@]1(CC(=O)N2)c2ccccc2N(Cc2cc3ccccc3n(C)c2=O)C1=O ZINC000101410250 554763655 /nfs/dbraw/zinc/76/36/55/554763655.db2.gz SRUZMNCRTRXPKN-PMERELPUSA-N 0 1 557.574 3.524 50 0 KHAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@]1(CC(=O)N2)C(=O)N(Cc2ccc(F)cc2)c2cc3c(cc21)OCCO3 ZINC000101411574 554763891 /nfs/dbraw/zinc/76/38/91/554763891.db2.gz JVUAMZRIRKPPMQ-MUUNZHRXSA-N 0 1 552.526 3.582 50 0 KHAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@]1(CC(=O)N2)C(=O)N(Cc2ccc(F)cc2)c2cc3c(cc21)OCCO3 ZINC000101411577 554763911 /nfs/dbraw/zinc/76/39/11/554763911.db2.gz JVUAMZRIRKPPMQ-NDEPHWFRSA-N 0 1 552.526 3.582 50 0 KHAAMN CCCC[N@@H+](CCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCCC3)cc2c1=O)Cc1ccccc1 ZINC000101415201 554764454 /nfs/dbraw/zinc/76/44/54/554764454.db2.gz WJDQWACBGRSXCZ-UHFFFAOYSA-N 0 1 538.714 3.745 50 0 KHAAMN COc1ccc(-n2nc(C(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000101422878 554767709 /nfs/dbraw/zinc/76/77/09/554767709.db2.gz RQIYYPJHJQVIET-UHFFFAOYSA-N 0 1 568.653 3.967 50 0 KHAAMN CCn1cc(C(=O)NCCN(C)Cc2ccccc2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000101447899 554774752 /nfs/dbraw/zinc/77/47/52/554774752.db2.gz FZXDCCJGBFCKLT-UHFFFAOYSA-N 0 1 538.714 3.836 50 0 KHAAMN CCn1cc(C(=O)NCCN(C)CCc2ccccc2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000101448434 554774936 /nfs/dbraw/zinc/77/49/36/554774936.db2.gz WTDSXECITJICLB-UHFFFAOYSA-N 0 1 572.731 3.673 50 0 KHAAMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)N[C@@]4(C(=O)Nc5ccc(C)cc54)[C@H]3C2=O)cc1 ZINC000101502959 554789042 /nfs/dbraw/zinc/78/90/42/554789042.db2.gz ILIWLGIVKAWZIS-GMVMSBRFSA-N 0 1 533.588 3.602 50 0 KHAAMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)N[C@]4(C(=O)Nc5ccc(C)cc54)[C@H]3C2=O)cc1 ZINC000101502960 554789058 /nfs/dbraw/zinc/78/90/58/554789058.db2.gz ILIWLGIVKAWZIS-QUULSXEQSA-N 0 1 533.588 3.602 50 0 KHAAMN CCOC(=O)c1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(=O)[nH]1 ZINC000101511913 554793153 /nfs/dbraw/zinc/79/31/53/554793153.db2.gz POLYZUJNCSFHMR-UHFFFAOYSA-N 0 1 529.640 3.808 50 0 KHAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)[C@@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)CC2)c1 ZINC000101523528 554794047 /nfs/dbraw/zinc/79/40/47/554794047.db2.gz ORDYOUKBVLTKBR-RUZDIDTESA-N 0 1 544.748 3.714 50 0 KHAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)[C@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)CC2)c1 ZINC000101523534 554794061 /nfs/dbraw/zinc/79/40/61/554794061.db2.gz ORDYOUKBVLTKBR-VWLOTQADSA-N 0 1 544.748 3.714 50 0 KHAAMN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)N[C@]4(C(=O)Nc5c4cccc5C)[C@H]3C2=O)cc1 ZINC000101592586 554803108 /nfs/dbraw/zinc/80/31/08/554803108.db2.gz MKLPAYLHDZRLPE-PXFJVXAFSA-N 0 1 534.572 3.569 50 0 KHAAMN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)N[C@@]4(C(=O)Nc5c4cccc5C)[C@H]3C2=O)cc1 ZINC000101592590 554803135 /nfs/dbraw/zinc/80/31/35/554803135.db2.gz MKLPAYLHDZRLPE-BCVXLEMTSA-N 0 1 534.572 3.569 50 0 KHAAMN CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CCN(c5ccccn5)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000101628384 554811396 /nfs/dbraw/zinc/81/13/96/554811396.db2.gz HLNMSXIAUDYZHM-UHFFFAOYSA-N 0 1 531.594 3.658 50 0 KHAAMN O=C(COc1ccccc1F)c1ccc2c(c1)N(Cc1ccc(C(=O)NCCN3CCCCC3)o1)C(=O)CO2 ZINC000101636296 554812880 /nfs/dbraw/zinc/81/28/80/554812880.db2.gz QEIDMMSQXZFPQO-UHFFFAOYSA-N 0 1 535.572 3.822 50 0 KHAAMN O=C(COc1ccc(F)cc1)c1ccc2c(c1)N(Cc1ccc(C(=O)NCCN3CCCCC3)o1)C(=O)CO2 ZINC000101636322 554812897 /nfs/dbraw/zinc/81/28/97/554812897.db2.gz HYAUBDREZIRNFQ-UHFFFAOYSA-N 0 1 535.572 3.822 50 0 KHAAMN O=C(COc1cccc(F)c1)c1ccc2c(c1)N(Cc1ccc(C(=O)NCCN3CCCCC3)o1)C(=O)CO2 ZINC000101636330 554812924 /nfs/dbraw/zinc/81/29/24/554812924.db2.gz GINZQXNKJWPMOL-UHFFFAOYSA-N 0 1 535.572 3.822 50 0 KHAAMN Cc1c(C)c(S(=O)(=O)N(CCC[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])C(N)=[NH2+])c(C)c2c1OC(C)(C)CC2 ZINC000101652936 554817358 /nfs/dbraw/zinc/81/73/58/554817358.db2.gz GYXGPBYNELKHPZ-QFIPXVFZSA-N 0 1 574.700 3.759 50 0 KHAAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000101672133 554825568 /nfs/dbraw/zinc/82/55/68/554825568.db2.gz BIJSPWHNVUCAIE-MUSMBDMCSA-N 0 1 568.605 3.530 50 0 KHAAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000101672137 554825592 /nfs/dbraw/zinc/82/55/92/554825592.db2.gz BIJSPWHNVUCAIE-PTLRTPRYSA-N 0 1 568.605 3.530 50 0 KHAAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000101672139 554825619 /nfs/dbraw/zinc/82/56/19/554825619.db2.gz BIJSPWHNVUCAIE-GFGYWFAOSA-N 0 1 568.605 3.530 50 0 KHAAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000101672142 554825520 /nfs/dbraw/zinc/82/55/20/554825520.db2.gz BIJSPWHNVUCAIE-YCYTWPSCSA-N 0 1 568.605 3.530 50 0 KHAAMN Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@@H]1[C@]1(C3)C(=O)NC(=O)N(Cc2ccccc2Cl)C1=O ZINC000101673140 554826635 /nfs/dbraw/zinc/82/66/35/554826635.db2.gz WHBBKNRUIOKGMO-WVXBCFDCSA-N 0 1 554.006 3.581 50 0 KHAAMN Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@@H]1[C@@]1(C3)C(=O)NC(=O)N(Cc2ccccc2Cl)C1=O ZINC000101673145 554826584 /nfs/dbraw/zinc/82/65/84/554826584.db2.gz WHBBKNRUIOKGMO-DJUQAAIZSA-N 0 1 554.006 3.581 50 0 KHAAMN Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@H]1[C@]1(C3)C(=O)NC(=O)N(Cc2ccccc2Cl)C1=O ZINC000101673149 554826629 /nfs/dbraw/zinc/82/66/29/554826629.db2.gz WHBBKNRUIOKGMO-YUDQIZAISA-N 0 1 554.006 3.581 50 0 KHAAMN Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@H]1[C@@]1(C3)C(=O)NC(=O)N(Cc2ccccc2Cl)C1=O ZINC000101673152 554826612 /nfs/dbraw/zinc/82/66/12/554826612.db2.gz WHBBKNRUIOKGMO-JHOBJCJYSA-N 0 1 554.006 3.581 50 0 KHAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000101674240 554827761 /nfs/dbraw/zinc/82/77/61/554827761.db2.gz IHDOVVNBQYMCSF-ZGQJUUMOSA-N 0 1 552.562 3.651 50 0 KHAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000101674242 554827781 /nfs/dbraw/zinc/82/77/81/554827781.db2.gz IHDOVVNBQYMCSF-PCEYSVKOSA-N 0 1 552.562 3.651 50 0 KHAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000101674246 554827784 /nfs/dbraw/zinc/82/77/84/554827784.db2.gz IHDOVVNBQYMCSF-GURVGDRESA-N 0 1 552.562 3.651 50 0 KHAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000101674251 554827771 /nfs/dbraw/zinc/82/77/71/554827771.db2.gz IHDOVVNBQYMCSF-XZSHTLEFSA-N 0 1 552.562 3.651 50 0 KHAAMN Cc1cc(C)n(CCNC(=O)c2ccc(CN3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)[nH]c2=O)n1 ZINC000101740549 554834239 /nfs/dbraw/zinc/83/42/39/554834239.db2.gz MPMNQWVQALTJID-UHFFFAOYSA-N 0 1 539.680 3.766 50 0 KHAAMN COc1ccc(OC)c(C[N@@H+]2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)N2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000101993371 554864227 /nfs/dbraw/zinc/86/42/27/554864227.db2.gz ZNDMOSYVQXSXLX-IZLXSDGUSA-N 0 1 556.748 3.817 50 0 KHAAMN Cc1ccc(NC(=O)CN2c3ccccc3[C@@]3(N[C@@H](CC(C)C)[C@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]43)C2=O)cc1 ZINC000102038657 554869120 /nfs/dbraw/zinc/86/91/20/554869120.db2.gz RHPXSPCRSBATBH-ZWBDOSIPSA-N 0 1 536.632 3.999 50 0 KHAAMN Cc1ccc(NC(=O)CN2c3ccccc3[C@]3(N[C@@H](CC(C)C)[C@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]43)C2=O)cc1 ZINC000102038665 554869083 /nfs/dbraw/zinc/86/90/83/554869083.db2.gz RHPXSPCRSBATBH-BCZYHNNCSA-N 0 1 536.632 3.999 50 0 KHAAMN CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CCN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000102188363 554894045 /nfs/dbraw/zinc/89/40/45/554894045.db2.gz NUQKNRMFKHOTTJ-UHFFFAOYSA-N 0 1 557.445 3.982 50 0 KHAAMN COCc1cc(N2CCN(Cc3ccccc3)CC2)nc(SCc2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2)n1 ZINC000102192687 554895183 /nfs/dbraw/zinc/89/51/83/554895183.db2.gz XVTZRBSDLCLAGQ-UHFFFAOYSA-N 0 1 574.751 3.542 50 0 KHAAMN C[C@H](NC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3ccccc3F)cc2c1=O)c1ccc2c(c1)OCCO2 ZINC000102262685 554905159 /nfs/dbraw/zinc/90/51/59/554905159.db2.gz SAJWOXMFHGTGKP-HNNXBMFYSA-N 0 1 523.542 3.730 50 0 KHAAMN C[C@@H](NC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3ccccc3F)cc2c1=O)c1ccc2c(c1)OCCO2 ZINC000102262688 554905126 /nfs/dbraw/zinc/90/51/26/554905126.db2.gz SAJWOXMFHGTGKP-OAHLLOKOSA-N 0 1 523.542 3.730 50 0 KHAAMN CCOC(=O)c1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c(=O)[nH]1 ZINC000102606192 554979094 /nfs/dbraw/zinc/97/90/94/554979094.db2.gz YUQKVWRZDGAAHI-UHFFFAOYSA-N 0 1 541.529 3.529 50 0 KHAAMN O=C(CSc1ncc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c(=O)[nH]1)NCc1ccc(Cl)cc1 ZINC000102606199 554979007 /nfs/dbraw/zinc/97/90/07/554979007.db2.gz UFUQKBFGXYPKLN-UHFFFAOYSA-N 0 1 517.938 3.683 50 0 KHAAMN Cc1cc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(F)c(F)c3)[nH]c2=O)ccc1Br ZINC000102606226 554979023 /nfs/dbraw/zinc/97/90/23/554979023.db2.gz XICRMHWTUCZCKJ-UHFFFAOYSA-N 0 1 530.372 3.683 50 0 KHAAMN CCc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)c(C)c3)c(=O)[nH]2)c1 ZINC000102606236 554979076 /nfs/dbraw/zinc/97/90/76/554979076.db2.gz PONCLTAGTXQOAS-UHFFFAOYSA-N 0 1 522.446 3.967 50 0 KHAAMN CCc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)c(C)c3)c(=O)[nH]2)cc1 ZINC000102606241 554978969 /nfs/dbraw/zinc/97/89/69/554978969.db2.gz SUQZKEHEGAGLSK-UHFFFAOYSA-N 0 1 522.446 3.967 50 0 KHAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C(=O)OCC)cc3)[nH]c2=O)cc1 ZINC000102606459 554979461 /nfs/dbraw/zinc/97/94/61/554979461.db2.gz GYNKMMGFDUHCLQ-UHFFFAOYSA-N 0 1 529.640 3.853 50 0 KHAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(OC)c(OC)c(OC)c3)[nH]c2=O)cc1 ZINC000102606502 554979529 /nfs/dbraw/zinc/97/95/29/554979529.db2.gz IJACYLZTMQZJRT-UHFFFAOYSA-N 0 1 547.655 3.702 50 0 KHAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C(=O)OCC)c3)[nH]c2=O)cc1 ZINC000102606522 554979581 /nfs/dbraw/zinc/97/95/81/554979581.db2.gz MSGLHJBPSRJRFF-UHFFFAOYSA-N 0 1 529.640 3.853 50 0 KHAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3C(=O)OCC)[nH]c2=O)cc1 ZINC000102606530 554979500 /nfs/dbraw/zinc/97/95/00/554979500.db2.gz ROUPJJOUVSNZHM-UHFFFAOYSA-N 0 1 529.640 3.853 50 0 KHAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)N3CCN(c4ccc(F)cc4)CC3)[nH]c2=O)cc1 ZINC000102606572 554979494 /nfs/dbraw/zinc/97/94/94/554979494.db2.gz XAMUWJHMOBXRBD-UHFFFAOYSA-N 0 1 544.674 3.525 50 0 KHAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)N3CCN(c4ccccc4F)CC3)[nH]c2=O)cc1 ZINC000102606577 554979478 /nfs/dbraw/zinc/97/94/78/554979478.db2.gz ORYBQELSAPBWQC-UHFFFAOYSA-N 0 1 544.674 3.525 50 0 KHAAMN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCCN2CCc3ccccc3C2)CC1 ZINC000102613522 554983065 /nfs/dbraw/zinc/98/30/65/554983065.db2.gz VOIDHOLQKBJVJP-ZHACJKMWSA-N 0 1 552.672 3.868 50 0 KHAAMN COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)N(Cc3ccc(OC)c4ccccc34)C2)nn1 ZINC000102664099 1066209463 /nfs/dbraw/zinc/20/94/63/1066209463.db2.gz QFOYNKVINGELSO-YWEHKCAJSA-N 0 1 572.641 3.530 50 0 KHAAMN Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cc4cc(Br)cc(Br)c4oc3=O)CC2)n1 ZINC000102683476 555006612 /nfs/dbraw/zinc/00/66/12/555006612.db2.gz YXDXQNLQTNCXOB-UHFFFAOYSA-N 0 1 577.277 3.979 50 0 KHAAMN CN1c2ccc(-c3noc(CNS(=O)(=O)c4cccc5nsnc54)n3)cc2Sc2ccccc2C1=O ZINC000102699982 555012681 /nfs/dbraw/zinc/01/26/81/555012681.db2.gz QIZIRCIYCPPTIO-UHFFFAOYSA-N 0 1 536.620 3.961 50 0 KHAAMN CCOC(=O)C(C=Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccccc2OC)c1)C(=O)OCC ZINC000102704639 555014026 /nfs/dbraw/zinc/01/40/26/555014026.db2.gz DAQKSJPWBRFFGV-UHFFFAOYSA-N 0 1 531.631 3.908 50 0 KHAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccnn1C ZINC000102744644 555035906 /nfs/dbraw/zinc/03/59/06/555035906.db2.gz WWHDJJDKTKLCPB-TWJOJJKGSA-N 0 1 542.523 3.838 50 0 KHAAMN COc1cc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccnn1C ZINC000102748270 555042382 /nfs/dbraw/zinc/04/23/82/555042382.db2.gz OQJYFRXZUDHKGP-TWJOJJKGSA-N 0 1 524.533 3.699 50 0 KHAAMN O=C(CCCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000102755174 555047105 /nfs/dbraw/zinc/04/71/05/555047105.db2.gz INQSWMPIXFIVAH-UHFFFAOYSA-N 0 1 555.676 3.816 50 0 KHAAMN O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc(Cn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)cc1 ZINC000102755312 555047000 /nfs/dbraw/zinc/04/70/00/555047000.db2.gz QJBARHQTHTVGQN-UHFFFAOYSA-N 0 1 575.666 3.917 50 0 KHAAMN COc1ccc(CCNC(=O)CCCCCn2c(=O)c3cc(N4CCOCC4)ccc3[nH]c2=S)cc1OC ZINC000102755411 555047427 /nfs/dbraw/zinc/04/74/27/555047427.db2.gz XVWIMGAGTAUBAV-UHFFFAOYSA-N 0 1 540.686 3.832 50 0 KHAAMN O=C(CCCCCn1c(=O)c2cc(N3CCOCC3)ccc2[n-]c1=S)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000102756184 555048800 /nfs/dbraw/zinc/04/88/00/555048800.db2.gz BOQNBJQCEJDFMJ-UHFFFAOYSA-N 0 1 596.773 3.924 50 0 KHAAMN O=C(CCCCCn1c(=O)c2cc(N3CCOCC3)ccc2[nH]c1=S)N1CCN(c2ccc(F)cc2)CC1 ZINC000102756188 555048719 /nfs/dbraw/zinc/04/87/19/555048719.db2.gz WTFWEOQJPFMDTD-UHFFFAOYSA-N 0 1 539.677 3.944 50 0 KHAAMN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCCN3CCC(Cc4ccccc4)CC3)cc21 ZINC000102793315 555070945 /nfs/dbraw/zinc/07/09/45/555070945.db2.gz UEHYGKPEHBWSGC-UHFFFAOYSA-N 0 1 534.520 3.981 50 0 KHAAMN CCN(CCCNC(=O)CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O)Cc1ccccc1 ZINC000102839895 555080983 /nfs/dbraw/zinc/08/09/83/555080983.db2.gz RXNPUOWSHCBRBK-UHFFFAOYSA-N 0 1 550.519 3.550 50 0 KHAAMN O=C1Nc2ccccc2[C@@]12N[C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000102867505 555097066 /nfs/dbraw/zinc/09/70/66/555097066.db2.gz IRUSOTFJGQTYJZ-BOCITWAFSA-N 0 1 507.468 3.579 50 0 KHAAMN O=C1Nc2ccccc2[C@]12N[C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000102867507 555097005 /nfs/dbraw/zinc/09/70/05/555097005.db2.gz IRUSOTFJGQTYJZ-IMIIHFCZSA-N 0 1 507.468 3.579 50 0 KHAAMN CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1cc([C@](O)(C(=O)OCC)C(F)(F)F)ccc1OC)C(F)(F)F ZINC000102887643 555119808 /nfs/dbraw/zinc/11/98/08/555119808.db2.gz ALROULMQKPXAPP-FCHUYYIVSA-N 0 1 566.451 3.672 50 0 KHAAMN CCOC(=O)[C@](O)(c1ccc(OC)c(N[C@@](NC(=O)c2ccccc2)(C(=O)OCC)C(F)(F)F)c1)C(F)(F)F ZINC000102887645 555119920 /nfs/dbraw/zinc/11/99/20/555119920.db2.gz ALROULMQKPXAPP-FGZHOGPDSA-N 0 1 566.451 3.672 50 0 KHAAMN CCOC(=O)[C@@](O)(c1ccc(OC)c(N[C@](NC(=O)c2ccccc2)(C(=O)OCC)C(F)(F)F)c1)C(F)(F)F ZINC000102887647 555119915 /nfs/dbraw/zinc/11/99/15/555119915.db2.gz ALROULMQKPXAPP-VXKWHMMOSA-N 0 1 566.451 3.672 50 0 KHAAMN CCOC(=O)[C@](O)(c1ccc(OC)c(N[C@](NC(=O)c2ccccc2)(C(=O)OCC)C(F)(F)F)c1)C(F)(F)F ZINC000102887649 555119825 /nfs/dbraw/zinc/11/98/25/555119825.db2.gz ALROULMQKPXAPP-YADHBBJMSA-N 0 1 566.451 3.672 50 0 KHAAMN CCN(CC)S(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccccc3-c3n[nH]c(=S)[nH]c3=O)C2=O)c1 ZINC000102923418 1066533184 /nfs/dbraw/zinc/53/31/84/1066533184.db2.gz LOJAQCBHTVGOHN-HAVVHWLPSA-N 0 1 602.698 3.791 50 0 KHAAMN CCN(CC)S(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccccc3-c3n[nH]c(=S)[nH]c3=O)C2=O)c1 ZINC000102923421 555148003 /nfs/dbraw/zinc/14/80/03/555148003.db2.gz LOJAQCBHTVGOHN-QJOMJCCJSA-N 0 1 602.698 3.791 50 0 KHAAMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=S)NC(=O)c2cccc(OC)c2OC)c1 ZINC000102928516 555153983 /nfs/dbraw/zinc/15/39/83/555153983.db2.gz GWBXALJMVQVLJS-UHFFFAOYSA-N 0 1 531.612 3.649 50 0 KHAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3/C(=C\Nc3cccc(=O)[nH]3)C2=O)c1 ZINC000102931032 1066534821 /nfs/dbraw/zinc/53/48/21/1066534821.db2.gz OZZIMGCYBBNIQX-OQKWZONESA-N 0 1 542.573 3.824 50 0 KHAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3/C(=C/Nc3cccc(=O)[nH]3)C2=O)c1 ZINC000102931035 555158230 /nfs/dbraw/zinc/15/82/30/555158230.db2.gz OZZIMGCYBBNIQX-XLNRJJMWSA-N 0 1 542.573 3.824 50 0 KHAAMN O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000102938344 555166655 /nfs/dbraw/zinc/16/66/55/555166655.db2.gz IPJKYRHRBDCPBS-UHFFFAOYSA-N 0 1 529.571 3.950 50 0 KHAAMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000102938478 555166995 /nfs/dbraw/zinc/16/69/95/555166995.db2.gz SUMAZCUNRMKPNK-UHFFFAOYSA-N 0 1 545.639 3.629 50 0 KHAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)/C=C\c2cccc(OC)c2OC)CC1 ZINC000102952465 1066320245 /nfs/dbraw/zinc/32/02/45/1066320245.db2.gz JELDRQBZKBQNBR-KAMYIIQDSA-N 0 1 542.702 3.672 50 0 KHAAMN COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000102958607 555174654 /nfs/dbraw/zinc/17/46/54/555174654.db2.gz ROTBHYDWKXCPBS-UHFFFAOYSA-N 0 1 524.020 3.652 50 0 KHAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)ccc1N1CCCCC1 ZINC000102965897 555180172 /nfs/dbraw/zinc/18/01/72/555180172.db2.gz VLBZGGKIDOHMRR-UHFFFAOYSA-N 0 1 572.709 3.989 50 0 KHAAMN COc1cc(OC)c(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)c2)cc1Cl ZINC000102972029 555181865 /nfs/dbraw/zinc/18/18/65/555181865.db2.gz RCURXIYDYZJULD-UHFFFAOYSA-N 0 1 554.046 3.661 50 0 KHAAMN O=S(=O)(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000102972425 555182229 /nfs/dbraw/zinc/18/22/29/555182229.db2.gz QYKGHGQDEPTJQR-UHFFFAOYSA-N 0 1 554.012 3.781 50 0 KHAAMN O=S(=O)(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccccc1F ZINC000102972550 555182475 /nfs/dbraw/zinc/18/24/75/555182475.db2.gz XRYXPMTXMOJGQW-UHFFFAOYSA-N 0 1 526.011 3.917 50 0 KHAAMN CCOc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)Nc3ccccc3OC)c2)cc1 ZINC000102972751 555182762 /nfs/dbraw/zinc/18/27/62/555182762.db2.gz LZIHBBUDQLPELZ-UHFFFAOYSA-N 0 1 547.655 3.532 50 0 KHAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1C ZINC000102974705 555184438 /nfs/dbraw/zinc/18/44/38/555184438.db2.gz AKEVJXAKZAYQLS-UHFFFAOYSA-N 0 1 529.640 3.841 50 0 KHAAMN C[C@H](OC(=O)c1cc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1Cl)C(=O)NCC1CCCCC1 ZINC000102975550 555185652 /nfs/dbraw/zinc/18/56/52/555185652.db2.gz GQBYSTKPAVUEDV-INIZCTEOSA-N 0 1 557.090 3.786 50 0 KHAAMN C[C@@H](OC(=O)c1cc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1Cl)C(=O)NCC1CCCCC1 ZINC000102975552 555185737 /nfs/dbraw/zinc/18/57/37/555185737.db2.gz GQBYSTKPAVUEDV-MRXNPFEDSA-N 0 1 557.090 3.786 50 0 KHAAMN COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)ccc2C)cc1Cl ZINC000102993323 555193730 /nfs/dbraw/zinc/19/37/30/555193730.db2.gz YMWIVBATDKGMQR-UHFFFAOYSA-N 0 1 594.111 3.613 50 0 KHAAMN COc1ccc(/C=C\C(=O)N[C@H](C)C(=O)Nc2ccc(OC)c(NS(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000102993948 1066328198 /nfs/dbraw/zinc/32/81/98/1066328198.db2.gz FYDBHXQGKIEHDG-MISIWFIQSA-N 0 1 527.574 3.800 50 0 KHAAMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000102994093 555194056 /nfs/dbraw/zinc/19/40/56/555194056.db2.gz 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CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)cc1 ZINC000103102279 555279686 /nfs/dbraw/zinc/27/96/86/555279686.db2.gz WKCCTHCBFZWZBG-UHFFFAOYSA-N 0 1 522.539 3.732 50 0 KHAAMN O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000103113494 555286595 /nfs/dbraw/zinc/28/65/95/555286595.db2.gz AHUKAAWDVPYTBO-UHFFFAOYSA-N 0 1 530.002 3.773 50 0 KHAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(I)cc2)c1 ZINC000103114623 555287343 /nfs/dbraw/zinc/28/73/43/555287343.db2.gz PWNCQPAGYVRPML-UHFFFAOYSA-N 0 1 566.373 3.896 50 0 KHAAMN CSCC[C@@H]1N[C@]2(c3ccccc3N(CC(=O)Nc3ccc(C)cc3)C2=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000103129963 555298665 /nfs/dbraw/zinc/29/86/65/555298665.db2.gz OQKYSKQSCSKLKF-BCZYHNNCSA-N 0 1 568.699 3.702 50 0 KHAAMN CSCC[C@@H]1N[C@@]2(c3ccccc3N(CC(=O)Nc3ccc(C)cc3)C2=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000103129969 555298697 /nfs/dbraw/zinc/29/86/97/555298697.db2.gz OQKYSKQSCSKLKF-ZWBDOSIPSA-N 0 1 568.699 3.702 50 0 KHAAMN Cc1ccc(NC(=O)CN2c3ccccc3[C@@]3(N[C@H](CC(C)C)[C@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]43)C2=O)cc1 ZINC000103130043 555298706 /nfs/dbraw/zinc/29/87/06/555298706.db2.gz RHPXSPCRSBATBH-PVJLDVRHSA-N 0 1 536.632 3.999 50 0 KHAAMN COc1ccc(C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000103139364 555309293 /nfs/dbraw/zinc/30/92/93/555309293.db2.gz KJBSITLQQMHUDU-UHFFFAOYSA-N 0 1 522.539 3.650 50 0 KHAAMN Cc1cccc(NC(=O)N2CCN(c3cc(Cl)nc(SCC(=O)NCCN4CCCCC4)n3)C[C@@H]2C)c1 ZINC000103144209 555312205 /nfs/dbraw/zinc/31/22/05/555312205.db2.gz WALQOQNDOLCLMD-FQEVSTJZSA-N 0 1 546.141 3.875 50 0 KHAAMN Cc1cccc(NC(=O)N2CCN(c3cc(Cl)nc(SCC(=O)NCCN4CCCCC4)n3)C[C@H]2C)c1 ZINC000103144212 555312196 /nfs/dbraw/zinc/31/21/96/555312196.db2.gz WALQOQNDOLCLMD-HXUWFJFHSA-N 0 1 546.141 3.875 50 0 KHAAMN O=C(NCCCN1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000103154943 555319497 /nfs/dbraw/zinc/31/94/97/555319497.db2.gz RRAYKOGQUHMMIC-AHWVRZQESA-N 0 1 534.598 3.546 50 0 KHAAMN O=C(OC[C@@H]1O[C@H](n2ncc(=S)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000103257889 555346326 /nfs/dbraw/zinc/34/63/26/555346326.db2.gz SZFMEFKXFONLHR-LFBFJMOVSA-N 0 1 573.583 3.506 50 0 KHAAMN COc1cc(-c2nc(=O)c(CCC(=O)N3CC[NH+](C4CCCC4)CC3)n[n-]2)ccc1OCc1cccc(F)c1 ZINC000103298920 555355488 /nfs/dbraw/zinc/35/54/88/555355488.db2.gz GEFHHBOYNPBPMN-UHFFFAOYSA-N 0 1 535.620 3.578 50 0 KHAAMN COc1cccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)N[C@]4(C(=O)Nc5c4cccc5C)[C@H]3C2=O)c1 ZINC000104172196 571375970 /nfs/dbraw/zinc/37/59/70/571375970.db2.gz ZBBALFQLJJDNOW-RPQPUBLWSA-N 0 1 506.562 3.653 50 0 KHAAMN COc1cccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)N[C@@]4(C(=O)Nc5c4cccc5C)[C@H]3C2=O)c1 ZINC000104172201 571376019 /nfs/dbraw/zinc/37/60/19/571376019.db2.gz ZBBALFQLJJDNOW-RZDWVWPCSA-N 0 1 506.562 3.653 50 0 KHAAMN O=C(NCC[NH+]1CCCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@H]12 ZINC000104916654 571387605 /nfs/dbraw/zinc/38/76/05/571387605.db2.gz PQZBCIJUUFDXPQ-AOYPEHQESA-N 0 1 516.608 3.659 50 0 KHAAMN O=C(NCC[NH+]1CCCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@H]12 ZINC000104916657 571387559 /nfs/dbraw/zinc/38/75/59/571387559.db2.gz PQZBCIJUUFDXPQ-AZGAKELHSA-N 0 1 516.608 3.659 50 0 KHAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000105061982 571390934 /nfs/dbraw/zinc/39/09/34/571390934.db2.gz LXOZVQVXEQLWMH-RLWLMLJZSA-N 0 1 509.697 3.926 50 0 KHAAMN CCN1CCC[C@@H]1CNC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(C)C ZINC000108449647 571424779 /nfs/dbraw/zinc/42/47/79/571424779.db2.gz CVOPJGXEVFAMOX-ZOTUOOSYSA-N 0 1 594.753 3.900 50 0 biogenic KHAAMN CCN1CCC[C@H]1CNC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(C)C ZINC000108449650 571424831 /nfs/dbraw/zinc/42/48/31/571424831.db2.gz CVOPJGXEVFAMOX-ZSHJDDHQSA-N 0 1 594.753 3.900 50 0 biogenic KHAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)NCCc3cnc[nH]3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108451429 571425695 /nfs/dbraw/zinc/42/56/95/571425695.db2.gz HUVVCDSXAIPWRF-AHWVRZQESA-N 0 1 591.709 3.772 50 0 biogenic KHAAMN CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1ccc([C@](O)(C(=O)OCC)C(F)(F)F)cc1OC)C(F)(F)F ZINC000108805716 571426579 /nfs/dbraw/zinc/42/65/79/571426579.db2.gz DQYRZKILWUOTQW-FCHUYYIVSA-N 0 1 566.451 3.672 50 0 KHAAMN CCOC(=O)[C@](O)(c1ccc(N[C@@](NC(=O)c2ccccc2)(C(=O)OCC)C(F)(F)F)c(OC)c1)C(F)(F)F ZINC000108805720 571426624 /nfs/dbraw/zinc/42/66/24/571426624.db2.gz DQYRZKILWUOTQW-FGZHOGPDSA-N 0 1 566.451 3.672 50 0 KHAAMN CCOC(=O)[C@@](O)(c1ccc(N[C@](NC(=O)c2ccccc2)(C(=O)OCC)C(F)(F)F)c(OC)c1)C(F)(F)F ZINC000108805723 571426567 /nfs/dbraw/zinc/42/65/67/571426567.db2.gz DQYRZKILWUOTQW-VXKWHMMOSA-N 0 1 566.451 3.672 50 0 KHAAMN CCOC(=O)[C@](O)(c1ccc(N[C@](NC(=O)c2ccccc2)(C(=O)OCC)C(F)(F)F)c(OC)c1)C(F)(F)F ZINC000108805727 571426645 /nfs/dbraw/zinc/42/66/45/571426645.db2.gz DQYRZKILWUOTQW-YADHBBJMSA-N 0 1 566.451 3.672 50 0 KHAAMN COC(=O)c1cc2nc(N3CCC(c4cc(-c5ccc(OC)c(OC)c5)[nH]n4)CC3)nc(N)c2cc1C(=O)OC ZINC000135683588 571448796 /nfs/dbraw/zinc/44/87/96/571448796.db2.gz GPHNMVIHGCKSEH-UHFFFAOYSA-N 0 1 546.584 3.577 50 0 KHAAMN CSCC[C@@H]1N[C@@]2(c3ccccc3N(CC(=O)Nc3ccc(C)cc3)C2=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000141405656 571455915 /nfs/dbraw/zinc/45/59/15/571455915.db2.gz OQKYSKQSCSKLKF-GOFRPNEHSA-N 0 1 568.699 3.702 50 0 KHAAMN CSCC[C@@H]1N[C@@]2(c3ccccc3N(CC(=O)Nc3ccc(C)cc3)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000141405844 571455965 /nfs/dbraw/zinc/45/59/65/571455965.db2.gz OQKYSKQSCSKLKF-AFGJWPEXSA-N 0 1 568.699 3.702 50 0 KHAAMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000150359399 571463640 /nfs/dbraw/zinc/46/36/40/571463640.db2.gz YXKFEKMKUXSGCQ-GTENMVSRSA-N 0 1 672.282 3.713 50 0 KHAAMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c(I)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000150359401 571463619 /nfs/dbraw/zinc/46/36/19/571463619.db2.gz YXKFEKMKUXSGCQ-OXRZLYTFSA-N 0 1 672.282 3.713 50 0 KHAAMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000150366615 571464748 /nfs/dbraw/zinc/46/47/48/571464748.db2.gz ZODNFQXRQNNTTK-NQUDRAQSSA-N 0 1 678.311 3.775 50 0 KHAAMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c(I)c3)c(=O)n2[C@H]1c1cccs1 ZINC000150366617 571464742 /nfs/dbraw/zinc/46/47/42/571464742.db2.gz ZODNFQXRQNNTTK-FVLHSZHDSA-N 0 1 678.311 3.775 50 0 KHAAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000150406794 571480019 /nfs/dbraw/zinc/48/00/19/571480019.db2.gz YXKFEKMKUXSGCQ-DPWKNNTCSA-N 0 1 672.282 3.713 50 0 KHAAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000150406795 571480027 /nfs/dbraw/zinc/48/00/27/571480027.db2.gz YXKFEKMKUXSGCQ-XGHXRCDJSA-N 0 1 672.282 3.713 50 0 KHAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)ccc1N1CCOCC1 ZINC000150438346 571497069 /nfs/dbraw/zinc/49/70/69/571497069.db2.gz PGWYCXWKLLLCNN-UHFFFAOYSA-N 0 1 699.852 3.596 50 0 KHAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)ccc1N1CCOCC1 ZINC000150438427 571497002 /nfs/dbraw/zinc/49/70/02/571497002.db2.gz KCJPMONFUCLNFZ-UHFFFAOYSA-N 0 1 699.852 3.596 50 0 KHAAMN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000150448734 571501718 /nfs/dbraw/zinc/50/17/18/571501718.db2.gz HKTOJRVENNZNLD-UHFFFAOYSA-N 0 1 655.582 3.904 50 0 KHAAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000150468072 571508268 /nfs/dbraw/zinc/50/82/68/571508268.db2.gz CERBXARKRWKKSV-BYHQVZLYSA-N 0 1 732.334 3.730 50 0 KHAAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000150468076 571508260 /nfs/dbraw/zinc/50/82/60/571508260.db2.gz CERBXARKRWKKSV-LYFUXTGPSA-N 0 1 732.334 3.730 50 0 KHAAMN CCCOC(=O)CNc1nn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=S)[nH]c1=O ZINC000150652905 571525615 /nfs/dbraw/zinc/52/56/15/571525615.db2.gz RVVDXQKCGASQPS-BQOYKFDPSA-N 0 1 688.715 3.872 50 0 KHAAMN Cc1ccc(NC(=O)CN2c3ccccc3[C@@]3(N[C@H](CC(C)C)[C@@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]43)C2=O)cc1 ZINC000169620710 571554426 /nfs/dbraw/zinc/55/44/26/571554426.db2.gz RHPXSPCRSBATBH-PFOQSTAESA-N 0 1 536.632 3.999 50 0 KHAAMN CCOC(=O)CCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@@H]1C ZINC000169677711 571554993 /nfs/dbraw/zinc/55/49/93/571554993.db2.gz YFWXAFMLTMAONR-UZTOHYMASA-N 0 1 515.651 3.627 50 0 KHAAMN O=C(NCCCN1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000169679098 571556331 /nfs/dbraw/zinc/55/63/31/571556331.db2.gz RRAYKOGQUHMMIC-RSXGOPAZSA-N 0 1 534.598 3.546 50 0 KHAAMN CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)ccc2C(=O)C(C(=O)OC)=C1C(=O)OC ZINC000198557759 571568090 /nfs/dbraw/zinc/56/80/90/571568090.db2.gz CCIAIBVQXOMYGL-BEIQUOEZSA-N 0 1 564.012 3.722 50 0 KHAAMN COC(=O)COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(OC)c(O)c5)oc-4c32)ccc1OC ZINC000217890630 1066514811 /nfs/dbraw/zinc/51/48/11/1066514811.db2.gz PDOAFNLPYNXTQM-INIZCTEOSA-N 0 1 548.500 3.881 50 0 KHAAMN COC(=O)COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(OC)c(O)c5)oc-4c32)ccc1OC ZINC000217890738 1066515369 /nfs/dbraw/zinc/51/53/69/1066515369.db2.gz PDOAFNLPYNXTQM-MRXNPFEDSA-N 0 1 548.500 3.881 50 0 KHAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)C[C@@]2(O)C(=O)Nc3ccc(Br)cc32)cc1 ZINC000225518988 571888123 /nfs/dbraw/zinc/88/81/23/571888123.db2.gz RWOUOOQJXSSANA-QHCPKHFHSA-N 0 1 515.385 3.971 50 0 KHAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)C[C@]2(O)C(=O)Nc3ccc(Br)cc32)cc1 ZINC000225519019 571888152 /nfs/dbraw/zinc/88/81/52/571888152.db2.gz RWOUOOQJXSSANA-HSZRJFAPSA-N 0 1 515.385 3.971 50 0 KHAAMN COc1cc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccnn1C ZINC000226825032 572142667 /nfs/dbraw/zinc/14/26/67/572142667.db2.gz OQJYFRXZUDHKGP-JIMJEQGWSA-N 0 1 524.533 3.699 50 0 KHAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccnn1C ZINC000226902479 572145366 /nfs/dbraw/zinc/14/53/66/572145366.db2.gz WWHDJJDKTKLCPB-JIMJEQGWSA-N 0 1 542.523 3.838 50 0 KHAAMN O=C(OC[C@@H]1O[C@H](n2ncc(=S)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000227291850 572153500 /nfs/dbraw/zinc/15/35/00/572153500.db2.gz SZFMEFKXFONLHR-VHXCZSFDSA-N 0 1 573.583 3.919 50 0 KHAAMN CCCOC(=O)CNc1nn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=S)[nH]c1=O ZINC000229591965 572154401 /nfs/dbraw/zinc/15/44/01/572154401.db2.gz RVVDXQKCGASQPS-JVYBIVSJSA-N 0 1 688.715 3.872 50 0 KHAAMN CCc1ccc2c(c1)[C@]1(N[C@H](Cc3c[nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C(=O)[C@@H]31)C(=O)N2 ZINC000229661463 572159568 /nfs/dbraw/zinc/15/95/68/572159568.db2.gz XAGUWEUGOILZHF-FFAHVWSXSA-N 0 1 547.615 3.856 50 0 KHAAMN CCc1cccc2c1NC(=O)[C@@]21N[C@H](Cc2c[nH]c3ccccc23)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000229666029 572159418 /nfs/dbraw/zinc/15/94/18/572159418.db2.gz UUTVXPBLASTPMZ-SQZFZZOSSA-N 0 1 548.599 3.669 50 0 KHAAMN CCc1ccc2c(c1)[C@]1(N[C@H](Cc3c[nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)[C@@H]31)C(=O)N2 ZINC000229667184 572159462 /nfs/dbraw/zinc/15/94/62/572159462.db2.gz GFMHPHQBITXXLU-FBCZBLESSA-N 0 1 548.599 3.669 50 0 KHAAMN CCc1cccc2c1NC(=O)[C@@]21N[C@H](Cc2c[nH]c3ccccc23)[C@@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@@H]21 ZINC000229670544 572159712 /nfs/dbraw/zinc/15/97/12/572159712.db2.gz RHSPXIGVAZSTAE-ZQPSKXNCSA-N 0 1 547.615 3.856 50 0 KHAAMN CCCCOC[C@@H]1C[C@]2(C[C@](C)(C(=O)CSc3nc(-c4ccccc4Cl)n[nH]3)OC2=O)C(=O)O1 ZINC000229851975 572161004 /nfs/dbraw/zinc/16/10/04/572161004.db2.gz KPBXLCZGZGNIOY-SBQFXOPASA-N 0 1 507.996 3.611 50 0 KHAAMN O=C1Nc2ccc(Cl)cc2[C@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]12 ZINC000229963711 572174754 /nfs/dbraw/zinc/17/47/54/572174754.db2.gz IWQPULVMROQYLD-HVSOMOSWSA-N 0 1 554.990 3.713 50 0 KHAAMN O=C1Nc2ccc(Cl)cc2[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]12 ZINC000229963720 572174830 /nfs/dbraw/zinc/17/48/30/572174830.db2.gz IWQPULVMROQYLD-GYMZGOSFSA-N 0 1 554.990 3.713 50 0 KHAAMN O=C1Nc2c(cccc2Cl)[C@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]12 ZINC000229982235 572176753 /nfs/dbraw/zinc/17/67/53/572176753.db2.gz HTKSYLRHCHFDLG-QWPFQWAGSA-N 0 1 554.990 3.713 50 0 KHAAMN O=C1Nc2c(cccc2Cl)[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]12 ZINC000229982244 572176532 /nfs/dbraw/zinc/17/65/32/572176532.db2.gz HTKSYLRHCHFDLG-XAOHGYBUSA-N 0 1 554.990 3.713 50 0 KHAAMN O=C1Nc2ccc(Cl)cc2[C@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]12 ZINC000230011131 572178253 /nfs/dbraw/zinc/17/82/53/572178253.db2.gz FJMKGXIUJXDRSC-HVSOMOSWSA-N 0 1 554.990 3.760 50 0 KHAAMN O=C1Nc2ccc(Cl)cc2[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]12 ZINC000230011138 572178546 /nfs/dbraw/zinc/17/85/46/572178546.db2.gz FJMKGXIUJXDRSC-GYMZGOSFSA-N 0 1 554.990 3.760 50 0 KHAAMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C)N[C@@]4(c5ccccc5N(Cc5ccccc5Cl)C4=O)[C@H]3C2=O)cc1 ZINC000230022128 572179420 /nfs/dbraw/zinc/17/94/20/572179420.db2.gz RJCXHRKTFLCZRJ-MOOFCHRGSA-N 0 1 528.996 3.838 50 0 KHAAMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C)N[C@]4(c5ccccc5N(Cc5ccccc5Cl)C4=O)[C@H]3C2=O)cc1 ZINC000230022140 572179726 /nfs/dbraw/zinc/17/97/26/572179726.db2.gz RJCXHRKTFLCZRJ-ZDTDYCBWSA-N 0 1 528.996 3.838 50 0 KHAAMN O=C(CN1c2ccccc2[C@]2(N[C@@H](Cc3ccccc3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O)N1CCc2ccccc21 ZINC000230030515 572180025 /nfs/dbraw/zinc/18/00/25/572180025.db2.gz YGUJCLINQPHMLA-IYMBJGSBSA-N 0 1 596.687 3.834 50 0 KHAAMN O=C(CN1c2ccccc2[C@@]2(N[C@@H](Cc3ccccc3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O)N1CCc2ccccc21 ZINC000230030522 572180311 /nfs/dbraw/zinc/18/03/11/572180311.db2.gz YGUJCLINQPHMLA-USYAYQHBSA-N 0 1 596.687 3.834 50 0 KHAAMN CCc1ccc2c(c1)[C@]1(N[C@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C(=O)[C@@H]31)C(=O)N2 ZINC000230044071 572181006 /nfs/dbraw/zinc/18/10/06/572181006.db2.gz XAGUWEUGOILZHF-RBUURGHLSA-N 0 1 547.615 3.856 50 0 KHAAMN O=C1Nc2ccc(Br)cc2[C@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]12 ZINC000230044914 572181133 /nfs/dbraw/zinc/18/11/33/572181133.db2.gz YAPHKTAXQNRXCF-FZYNUTEISA-N 0 1 585.414 3.827 50 0 KHAAMN O=C1Nc2ccc(Br)cc2[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]12 ZINC000230044921 572181211 /nfs/dbraw/zinc/18/12/11/572181211.db2.gz YAPHKTAXQNRXCF-LGZHOBANSA-N 0 1 585.414 3.827 50 0 KHAAMN O=C1Nc2c(cccc2Cl)[C@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]12 ZINC000230045621 572181628 /nfs/dbraw/zinc/18/16/28/572181628.db2.gz UQRYPVGZWLLCCE-QWPFQWAGSA-N 0 1 554.990 3.760 50 0 KHAAMN O=C1Nc2c(cccc2Cl)[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]12 ZINC000230045628 572181511 /nfs/dbraw/zinc/18/15/11/572181511.db2.gz UQRYPVGZWLLCCE-XAOHGYBUSA-N 0 1 554.990 3.760 50 0 KHAAMN O=C1Nc2c(cccc2Cl)[C@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]12 ZINC000230045947 572181724 /nfs/dbraw/zinc/18/17/24/572181724.db2.gz RGTCLZAHQBUAES-UNESRPHWSA-N 0 1 540.963 3.718 50 0 KHAAMN O=C1Nc2c(cccc2Cl)[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]12 ZINC000230045958 572181787 /nfs/dbraw/zinc/18/17/87/572181787.db2.gz RGTCLZAHQBUAES-BJWNKAMFSA-N 0 1 540.963 3.718 50 0 KHAAMN CCc1cccc2c1NC(=O)[C@@]21N[C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000230051277 572181823 /nfs/dbraw/zinc/18/18/23/572181823.db2.gz UUTVXPBLASTPMZ-QTAFEOSRSA-N 0 1 548.599 3.669 50 0 KHAAMN CCc1ccc2c(c1)[C@]1(N[C@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)[C@@H]31)C(=O)N2 ZINC000230053033 572181558 /nfs/dbraw/zinc/18/15/58/572181558.db2.gz GFMHPHQBITXXLU-SLXDEKLDSA-N 0 1 548.599 3.669 50 0 KHAAMN CCc1cccc2c1NC(=O)[C@@]21N[C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@@H]21 ZINC000230057949 572181889 /nfs/dbraw/zinc/18/18/89/572181889.db2.gz RHSPXIGVAZSTAE-YDCVZUCISA-N 0 1 547.615 3.856 50 0 KHAAMN C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CO)C(C)(C)[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000242437538 572197286 /nfs/dbraw/zinc/19/72/86/572197286.db2.gz CFANCOFMEISVPE-DLMOMKDTSA-N 0 1 595.737 3.902 50 0 KHAAMN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)CN1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000244735064 572199792 /nfs/dbraw/zinc/19/97/92/572199792.db2.gz NSODTIBRLQHEEU-BOFKSZNZSA-N 0 1 521.702 3.892 50 0 KHAAMN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@H](O)CN1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000244735065 572199849 /nfs/dbraw/zinc/19/98/49/572199849.db2.gz NSODTIBRLQHEEU-KPOFERKLSA-N 0 1 521.702 3.892 50 0 KHAAMN CCN(CC)C(=O)CN1c2ccccc2[C@@]2(N[C@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000245235673 572210250 /nfs/dbraw/zinc/21/02/50/572210250.db2.gz NARPJTZOCATBAH-FKEHITKOSA-N 0 1 589.696 3.594 50 0 KHAAMN CCN(CC)C(=O)CN1c2ccccc2[C@@]2(N[C@H](Cc3c[nH]c4ccccc34)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000245235674 572210103 /nfs/dbraw/zinc/21/01/03/572210103.db2.gz NARPJTZOCATBAH-RMYVIZGWSA-N 0 1 589.696 3.594 50 0 KHAAMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C)N[C@]32c3ccccc3N(Cc3ccccc3Cl)C2=O)cc1 ZINC000245238491 572212019 /nfs/dbraw/zinc/21/20/19/572212019.db2.gz RJCXHRKTFLCZRJ-HGDKAPMVSA-N 0 1 528.996 3.838 50 0 KHAAMN CCOC(=O)CN1c2ccccc2[C@@]2(N[C@H](Cc3ccccc3)[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]32)C1=O ZINC000245255056 572221977 /nfs/dbraw/zinc/22/19/77/572221977.db2.gz FDHNRASITDMHQQ-PWDPMQEGSA-N 0 1 559.622 3.965 50 0 KHAAMN CCOC(=O)CN1c2ccccc2[C@@]2(N[C@H](Cc3ccccc3)[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]32)C1=O ZINC000245255057 572222011 /nfs/dbraw/zinc/22/20/11/572222011.db2.gz FDHNRASITDMHQQ-YXKGNLPJSA-N 0 1 559.622 3.965 50 0 KHAAMN CC(C)C[C@@H]1N[C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000245256328 572222706 /nfs/dbraw/zinc/22/27/06/572222706.db2.gz OXQWRDPRSYEMRK-VUFPWPNPSA-N 0 1 562.670 3.637 50 0 KHAAMN CC[N@H+]1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)[N-]C(=O)N(CCc4ccc(OC)c(OC)c4)C3=O)[C@H]2C1 ZINC000245326457 572232338 /nfs/dbraw/zinc/23/23/38/572232338.db2.gz KIPYSZPQMVMUOI-KCWPFWIISA-N 0 1 527.021 3.572 50 0 KHAAMN CC[N@@H+]1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)[N-]C(=O)N(CCc4ccc(OC)c(OC)c4)C3=O)[C@H]2C1 ZINC000245326457 572232337 /nfs/dbraw/zinc/23/23/37/572232337.db2.gz KIPYSZPQMVMUOI-KCWPFWIISA-N 0 1 527.021 3.572 50 0 KHAAMN CC[N@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)[N-]C(=O)N(CCc4ccc(OC)c(OC)c4)C3=O)[C@H]2C1 ZINC000245326458 572232368 /nfs/dbraw/zinc/23/23/68/572232368.db2.gz KIPYSZPQMVMUOI-YIXXDRMTSA-N 0 1 527.021 3.572 50 0 KHAAMN CC[N@@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)[N-]C(=O)N(CCc4ccc(OC)c(OC)c4)C3=O)[C@H]2C1 ZINC000245326458 572232365 /nfs/dbraw/zinc/23/23/65/572232365.db2.gz KIPYSZPQMVMUOI-YIXXDRMTSA-N 0 1 527.021 3.572 50 0 KHAAMN CCOC(=O)CCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@H]1C ZINC000245343736 572239876 /nfs/dbraw/zinc/23/98/76/572239876.db2.gz YFWXAFMLTMAONR-XHCCPWGMSA-N 0 1 515.651 3.627 50 0 KHAAMN O=C(NCc1ccccn1)[C@@H](CN(Cc1ccc2c(c1)OCO2)C[C@H]1CCCO1)Oc1cccc(F)c1 ZINC000247468072 572242624 /nfs/dbraw/zinc/24/26/24/572242624.db2.gz DHVRYHUBXPNMEK-SHQCIBLASA-N 0 1 507.562 3.694 50 0 KHAAMN O=C(NCc1ccccn1)[C@H](CN(Cc1ccc2c(c1)OCO2)C[C@H]1CCCO1)Oc1cccc(F)c1 ZINC000247468082 572242644 /nfs/dbraw/zinc/24/26/44/572242644.db2.gz DHVRYHUBXPNMEK-SQHAQQRYSA-N 0 1 507.562 3.694 50 0 KHAAMN O[C@H](COCc1ccccc1)CN(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000247730711 572244216 /nfs/dbraw/zinc/24/42/16/572244216.db2.gz GXDDIZBLQSUDOA-BJKOFHAPSA-N 0 1 525.621 3.876 50 0 KHAAMN O[C@@H](COCc1ccccc1)CN(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000247730716 572244103 /nfs/dbraw/zinc/24/41/03/572244103.db2.gz GXDDIZBLQSUDOA-DNQXCXABSA-N 0 1 525.621 3.876 50 0 KHAAMN O[C@@H](COCc1ccccc1)CN(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000247744281 572244374 /nfs/dbraw/zinc/24/43/74/572244374.db2.gz QKNDXRKLKKBHMM-CLJLJLNGSA-N 0 1 525.621 3.876 50 0 KHAAMN O[C@H](COCc1ccccc1)CN(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000247744285 572244380 /nfs/dbraw/zinc/24/43/80/572244380.db2.gz QKNDXRKLKKBHMM-IZZNHLLZSA-N 0 1 525.621 3.876 50 0 KHAAMN O=C(CN1c2ccccc2[C@]2(N[C@@H](Cc3ccccc3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O)N1CCc2ccccc21 ZINC000247804755 572244992 /nfs/dbraw/zinc/24/49/92/572244992.db2.gz YGUJCLINQPHMLA-YYHMRPRLSA-N 0 1 596.687 3.834 50 0 KHAAMN COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O ZINC000247837119 572245703 /nfs/dbraw/zinc/24/57/03/572245703.db2.gz MMNUQQYQOPVVFV-BXZATZBJSA-N 0 1 554.990 3.776 50 0 KHAAMN COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O ZINC000247837124 572246077 /nfs/dbraw/zinc/24/60/77/572246077.db2.gz MMNUQQYQOPVVFV-HUULLNBQSA-N 0 1 554.990 3.776 50 0 KHAAMN COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4c3cccc4Cl)[C@H]2C1=O ZINC000247866876 572246742 /nfs/dbraw/zinc/24/67/42/572246742.db2.gz YCGSGWVEFHDMJF-DTSJKDQCSA-N 0 1 554.990 3.776 50 0 KHAAMN COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)Nc4c3cccc4Cl)[C@H]2C1=O ZINC000247866880 572246820 /nfs/dbraw/zinc/24/68/20/572246820.db2.gz YCGSGWVEFHDMJF-OJKVMUNDSA-N 0 1 554.990 3.776 50 0 KHAAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)N[C@@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)cc1OC ZINC000247867337 572246881 /nfs/dbraw/zinc/24/68/81/572246881.db2.gz BIJSPWHNVUCAIE-BCZYHNNCSA-N 0 1 568.605 3.530 50 0 KHAAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)N[C@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)cc1OC ZINC000247867341 572246833 /nfs/dbraw/zinc/24/68/33/572246833.db2.gz BIJSPWHNVUCAIE-ZWBDOSIPSA-N 0 1 568.605 3.530 50 0 KHAAMN 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PGZILDWXWNYEMZ-OHZVFQBGSA-N 0 1 605.695 3.600 50 0 KHAAMN CCc1cccc2c1NC(=O)[C@@]21N[C@H](Cc2c[nH]c3ccccc23)[C@@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@H]21 ZINC000247952481 572250662 /nfs/dbraw/zinc/25/06/62/572250662.db2.gz RHSPXIGVAZSTAE-JVPIYLDOSA-N 0 1 547.615 3.856 50 0 KHAAMN CC(=O)N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247960425 572250962 /nfs/dbraw/zinc/25/09/62/572250962.db2.gz VEEAZULPCFUMKZ-FQEVSTJZSA-N 0 1 524.463 3.691 50 0 KHAAMN CC(=O)N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247960427 572250916 /nfs/dbraw/zinc/25/09/16/572250916.db2.gz VEEAZULPCFUMKZ-HXUWFJFHSA-N 0 1 524.463 3.691 50 0 KHAAMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)N[C@]4(C(=O)Nc5c4cccc5Cl)[C@H]3C2=O)cc1 ZINC000247960623 572250970 /nfs/dbraw/zinc/25/09/70/572250970.db2.gz VKCGAKGSUZPTSS-RPQPUBLWSA-N 0 1 554.006 3.947 50 0 KHAAMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)N[C@@]4(C(=O)Nc5c4cccc5Cl)[C@H]3C2=O)cc1 ZINC000247960626 572250811 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/nfs/dbraw/zinc/51/69/97/1066516997.db2.gz GCEGKEDVSLLEBZ-KYJUHHDHSA-N 0 1 600.716 3.988 50 0 KHAAMN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3ccc(CN4CCCC4)o3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952856113 1066517095 /nfs/dbraw/zinc/51/70/95/1066517095.db2.gz KRONNAIPZYWEMZ-WUFINQPMSA-N 0 1 586.689 3.978 50 0 KHAAMN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(Cc1cc(C3CCCCC3)no1)CCCNC(=O)CC2 ZINC000952856147 1066517075 /nfs/dbraw/zinc/51/70/75/1066517075.db2.gz NSJGQOQFCHGDMI-DEOSSOPVSA-N 0 1 611.784 3.808 50 0 KHAAMN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CCc3n[nH]c4c3CCCC4)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952856383 1066517617 /nfs/dbraw/zinc/51/76/17/1066517617.db2.gz ANGIVNHGBFPEQA-URLMMPGGSA-N 0 1 585.705 3.710 50 0 KHAAMN COCCN1CC(=O)N[C@H]2CN(Cc3cc(C(C)(C)C)[nH]n3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952856492 1066517571 /nfs/dbraw/zinc/51/75/71/1066517571.db2.gz JWTXZQPKOFQNDZ-FIBWVYCGSA-N 0 1 619.763 3.815 50 0 KHAAMN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(Cc3cc(C(C)(C)C)[nH]n3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952856571 1066517560 /nfs/dbraw/zinc/51/75/60/1066517560.db2.gz OPPPFUHBZKTZBU-IGKIAQTJSA-N 0 1 533.673 3.839 50 0 KHAAMN Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cn[nH]c3-c3ccccc3F)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952856886 1066518583 /nfs/dbraw/zinc/51/85/83/1066518583.db2.gz CSHNLIFGRLTXCK-XCZPVHLTSA-N 0 1 583.620 3.928 50 0 KHAAMN O=C1COc2ccc3c(c2)CCN(C(=O)c2ccc(CN4CCCC4)o2)[C@H]3c2cccc(c2)OCCCN1 ZINC000952856930 1066518635 /nfs/dbraw/zinc/51/86/35/1066518635.db2.gz OKROUZUHWRUOIN-LJAQVGFWSA-N 0 1 515.610 3.941 50 0 KHAAMN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ccc4[nH]nnc4c3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952856937 1066518616 /nfs/dbraw/zinc/51/86/16/1066518616.db2.gz OKXAXXBNGNBEFU-URLMMPGGSA-N 0 1 614.703 3.527 50 0 KHAAMN CCCCc1nc(CN2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)c[nH]1 ZINC000952857166 1066518947 /nfs/dbraw/zinc/51/89/47/1066518947.db2.gz MAGBRVXZXPJAHB-MFMCTBQISA-N 0 1 513.642 3.883 50 0 KHAAMN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3nc(C)n4ccccc34)C[C@@H]1OCc1cccc(c1)O2 ZINC000952857376 1066518973 /nfs/dbraw/zinc/51/89/73/1066518973.db2.gz XGOTVEONTMJIMP-NYDCQLBNSA-N 0 1 628.730 3.663 50 0 KHAAMN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cccc(-c4nnc[nH]4)c3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952857573 1066519310 /nfs/dbraw/zinc/51/93/10/1066519310.db2.gz XWJBPBGSYMYJMF-IZEXYCQBSA-N 0 1 636.709 3.736 50 0 KHAAMN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)CCc3n[nH]c(C)c3C)CC[C@H]1OCc1cccc(c1)O2 ZINC000952859216 1066521025 /nfs/dbraw/zinc/52/10/25/1066521025.db2.gz OIXMKNFYOPSIJG-URLMMPGGSA-N 0 1 589.693 3.538 50 0 KHAAMN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(CCc3ccccn3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952859403 1066521006 /nfs/dbraw/zinc/52/10/06/1066521006.db2.gz WEJXTKMMYVYXMJ-URLMMPGGSA-N 0 1 544.652 3.677 50 0 KHAAMN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(Cc3cc(C4CC4)[nH]n3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952861470 1066521539 /nfs/dbraw/zinc/52/15/39/1066521539.db2.gz AVKZZYHPLWMNKT-VMPREFPWSA-N 0 1 559.667 3.888 50 0 KHAAMN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3ccc(N4CCN(C)CC4)cc3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952861546 1066521448 /nfs/dbraw/zinc/52/14/48/1066521448.db2.gz ANPFPAQKGFCTDV-IOWSJCHKSA-N 0 1 611.743 3.541 50 0 KHAAMN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3cc(C(C)(C)C)[nH]n3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952862070 1066522620 /nfs/dbraw/zinc/52/26/20/1066522620.db2.gz JLKKQURIVHGPLT-VMPREFPWSA-N 0 1 620.751 3.727 50 0 KHAAMN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3ccc(F)cc3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952862147 1066522507 /nfs/dbraw/zinc/52/25/07/1066522507.db2.gz GGYCTDBVRFCRTK-KYJUHHDHSA-N 0 1 592.668 3.846 50 0 KHAAMN CCN1CC(=O)N[C@H]2CN(C(=O)CSc3nc(C)n[nH]3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952862446 1066522989 /nfs/dbraw/zinc/52/29/89/1066522989.db2.gz NUGXIRFGMNOBQR-SVBPBHIXSA-N 0 1 622.748 3.563 50 0 KHAAMN CCN1CC(=O)N[C@H]2CN(C(=O)CSc3nnc(C)[nH]3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952862446 1066522982 /nfs/dbraw/zinc/52/29/82/1066522982.db2.gz NUGXIRFGMNOBQR-SVBPBHIXSA-N 0 1 622.748 3.563 50 0 KHAAMN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(Cc1ccc(F)cc1Cl)CCCNC(=O)CC2 ZINC000952862645 1066523609 /nfs/dbraw/zinc/52/36/09/1066523609.db2.gz KFRIPZKDZNYCFP-NRFANRHFSA-N 0 1 591.124 3.565 50 0 KHAAMN CCCc1cc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4ccc(cc4OC)CCC(=O)N(CCCOC)CC(=O)N[C@H]3C2)n[nH]1 ZINC000952862723 1066523503 /nfs/dbraw/zinc/52/35/03/1066523503.db2.gz QLRCRDAMORDOHU-XZWHSSHBSA-N 0 1 647.773 3.891 50 0 KHAAMN Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(Cc3cc(C(C)(C)C)[nH]n3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952862966 1066524027 /nfs/dbraw/zinc/52/40/27/1066524027.db2.gz OLCKVEPHBOVEOE-AHWVRZQESA-N 0 1 531.657 3.779 50 0 KHAAMN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1cc(-c3ccc(Cl)cc3)[nH]n1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952863170 1066524506 /nfs/dbraw/zinc/52/45/06/1066524506.db2.gz UFXVRZWQCBGSBQ-PMERELPUSA-N 0 1 697.196 3.955 50 0 KHAAMN CCOC(=O)N1CCC(N2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)CC1 ZINC000952863300 1066524425 /nfs/dbraw/zinc/52/44/25/1066524425.db2.gz HVTVVQYWSMVCSE-VMPREFPWSA-N 0 1 548.684 3.763 50 0 KHAAMN O=C([O-])COc1ccccc1C[N@H+]1C[C@@H]2NC(=O)CN(C3CC3)Cc3cccc(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952864677 1066527536 /nfs/dbraw/zinc/52/75/36/1066527536.db2.gz JULGQGYJXWUKCW-JDXGNMNLSA-N 0 1 557.647 3.806 50 0 KHAAMN O=C([O-])COc1ccccc1C[N@@H+]1C[C@@H]2NC(=O)CN(C3CC3)Cc3cccc(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952864677 1066527529 /nfs/dbraw/zinc/52/75/29/1066527529.db2.gz JULGQGYJXWUKCW-JDXGNMNLSA-N 0 1 557.647 3.806 50 0 KHAAMN Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CCc3nc4ccc(F)cc4[nH]3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952864696 1066527487 /nfs/dbraw/zinc/52/74/87/1066527487.db2.gz OZLGEYCIZYXKKH-XCZPVHLTSA-N 0 1 585.636 3.733 50 0 KHAAMN COc1ccccc1-c1cc(C(=O)N2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)n[nH]1 ZINC000952864698 1066527403 /nfs/dbraw/zinc/52/74/03/1066527403.db2.gz YYBZWYKFXLWXJR-FIBWVYCGSA-N 0 1 595.656 3.798 50 0 KHAAMN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cc(C4CC4)[nH]n3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952865019 1066527841 /nfs/dbraw/zinc/52/78/41/1066527841.db2.gz LKQXOEPKLXRWII-URLMMPGGSA-N 0 1 603.720 3.856 50 0 KHAAMN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C3CCN(C(=O)c4ccccc4)CC3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952865438 1066529128 /nfs/dbraw/zinc/52/91/28/1066529128.db2.gz XUFULFOAYIKTMN-NYDCQLBNSA-N 0 1 584.717 3.923 50 0 KHAAMN O=C1CN(C2CC2)Cc2cccc(c2)Oc2cccc(c2)CO[C@H]2CN(C3CCN(C(=O)c4ccncc4)CC3)C[C@@H]2N1 ZINC000952865472 1066528870 /nfs/dbraw/zinc/52/88/70/1066528870.db2.gz YYHNDEMYVGWXKX-ACHIHNKUSA-N 0 1 581.717 3.842 50 0 KHAAMN Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C3CCN(C(=O)c4ccccc4)CC3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952865595 1066528972 /nfs/dbraw/zinc/52/89/72/1066528972.db2.gz SMOGXDVHUXRGGW-SMCANUKXSA-N 0 1 582.701 3.863 50 0 KHAAMN CCOC(=O)N1CCC(N2C[C@@H]3NC(=O)CN(C4CC4)C(=O)CCc4ccc(c(OC)c4)Oc4cccc(c4)CO[C@H]3C2)CC1 ZINC000952865711 1066529528 /nfs/dbraw/zinc/52/95/28/1066529528.db2.gz XDAPBGKONDQTEE-IZEXYCQBSA-N 0 1 620.747 3.731 50 0 KHAAMN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(Cc3ccc(OCCO)cc3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952867573 1066530050 /nfs/dbraw/zinc/53/00/50/1066530050.db2.gz PRFIWCGLSKUWQS-CONSDPRKSA-N 0 1 589.689 3.658 50 0 KHAAMN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cc(CC(C)C)[nH]n3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952868189 1066525093 /nfs/dbraw/zinc/52/50/93/1066525093.db2.gz CVYOVZAAWJSJGZ-IZEXYCQBSA-N 0 1 615.731 3.872 50 0 KHAAMN